# command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading dunbrack-2191.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 53157 examples # computed average trans backbone unit before proline from 2010 examples # computed average cis backbone unit from 97 examples # trans (non-proline) backbone unit: # CA= -2.2087 1.0126 -0.0030 # O= -0.1499 2.2440 0.0016 # C= -0.6889 1.1368 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4581 -0.0000 0.0000 # cis backbone unit: # CA= -0.1436 2.4534 -0.0002 # O= -2.0284 0.9742 0.0015 # C= -0.8018 1.0771 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4668 0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2100 1.0631 -0.0014 # O= -0.1236 2.2458 0.0075 # C= -0.6872 1.1517 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4660 0.0000 0.0000 # After reading dunbrack-2191.atoms have 2191 chains in training database # Count of chains,residues,atoms: 2191,500310,3902258 # 493341 residues have no bad marker # 3226 residues lack atoms needed to compute omega # 1453 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 4 # HAS_OXT 1167 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 3052 # HAS_UNKNOWN_ATOMS 9 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 979 # NON_PLANAR_PEPTIDE 888 # BAD_PEPTIDE 2680 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-2191.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0325/ # command:# Making conformation for sequence T0325 numbered 1 through 262 Created new target T0325 from T0325.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0325/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0325//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0325/manyalignments-good-all.under or /projects/compbio/experiments/protein-predict/casp7/T0325//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0325/manyalignments-good-all.under.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0325/manyalignments-good-all.under # reading script from file /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0325/manyalignments-good-all.under # Reading fragments from alignment file # Attempting to read fragment alignments from file 1xfkA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0325 read from 1xfkA/merged-good-all-a2m # 1xfkA read from 1xfkA/merged-good-all-a2m # found chain 1xfkA in training set T0325 17 :PAVTQGIIEAHKRGVVTSTTALPTSPYFL 1xfkA 105 :QECAQVIQQALPHARAIVLGGGHEIAWAT # choosing archetypes in rotamer library T0325 46 :EAMESARI 1xfkA 136 :GLAQHFLA T0325 54 :SAPTLAIGV 1xfkA 145 :GVKQPRIGI T0325 64 :LTLTLNQAKPILPREMVPSLVDE 1xfkA 154 :INFDAHFDLRTFESELAPVRPSS T0325 88 :GYFW 1xfkA 177 :GTPF T0325 111 :AQIISFMK 1xfkA 181 :NQIHHFCQ T0325 119 :SGRRPDHIDSHHNVHGKNKKL 1xfkA 190 :QGWDFHYACLGVSRASNTPAL T0325 144 :LALARKYQLPLRNASR 1xfkA 211 :FERADKLGVWYVEDKA T0325 160 :SIETKDYLELY 1xfkA 229 :PLSLKDHLTQL T0325 171 :QDVRTPD 1xfkA 261 :ASAPGVS T0325 182 :QFYDKAISTETILQLLDMVVCSEGEVFEIN 1xfkA 268 :APAARGVSLEALAPYFDRILHYKNKLMIAD T0325 212 :CHPAFIDT 1xfkA 301 :YNPSFDID T0325 227 :Y 1xfkA 309 :Q T0325 229 :MPRIREVEI 1xfkA 310 :HTARLAARL Number of specific fragments extracted= 14 number of extra gaps= 0 total=14 Number of alignments=1 # 1xfkA read from 1xfkA/merged-good-all-a2m # found chain 1xfkA in training set T0325 17 :PAVTQGIIEAHKRGVVTSTTALPTSPYFL 1xfkA 105 :QECAQVIQQALPHARAIVLGGGHEIAWAT T0325 46 :EAMESAR 1xfkA 136 :GLAQHFL T0325 53 :ISAPTLAIGV 1xfkA 144 :TGVKQPRIGI T0325 64 :LTLTLNQAKPILPREM 1xfkA 154 :INFDAHFDLRTFESEL T0325 81 :PSLVDEAGYFW 1xfkA 170 :APVRPSSGTPF T0325 111 :AQIISFMK 1xfkA 181 :NQIHHFCQ T0325 119 :SGRRPDHIDSHHNVHGKNKK 1xfkA 190 :QGWDFHYACLGVSRASNTPA T0325 143 :ALALARKYQLPLRNASR 1xfkA 210 :LFERADKLGVWYVEDKA T0325 160 :SIETKDYLELY 1xfkA 229 :PLSLKDHLTQL T0325 171 :QDVRTPD 1xfkA 261 :ASAPGVS T0325 182 :QFYDKAISTETILQLLDMVVCSEGEVF 1xfkA 268 :APAARGVSLEALAPYFDRILHYKNKLM T0325 210 :INCHPAFIDTILQ 1xfkA 295 :IADIAEYNPSFDI T0325 227 :YCMPRIREVEIL 1xfkA 308 :DQHTARLAARLC Number of specific fragments extracted= 13 number of extra gaps= 0 total=27 Number of alignments=2 # 1xfkA read from 1xfkA/merged-good-all-a2m # found chain 1xfkA in training set T0325 17 :PAVTQGIIEAHKRGVVTSTTALPTSPYFL 1xfkA 105 :QECAQVIQQALPHARAIVLGGGHEIAWAT T0325 46 :EAMESARI 1xfkA 136 :GLAQHFLA T0325 54 :SAPTLAIGV 1xfkA 145 :GVKQPRIGI T0325 64 :LTLTLNQAKPILPREMVPSLVDEAG 1xfkA 154 :INFDAHFDLRTFESELAPVRPSSGT T0325 91 :WH 1xfkA 179 :PF T0325 111 :AQIISFMK 1xfkA 181 :NQIHHFCQ T0325 119 :SGRRPDHID 1xfkA 190 :QGWDFHYAC T0325 132 :VHGKNKKLLGVALALARKYQLPLRNASRSIETKDYLEL 1xfkA 199 :LGVSRASNTPALFERADKLGVWYVEDKAFSPLSLKDHL T0325 170 :YQDVRTP 1xfkA 258 :FPAASAP T0325 179 :MLYQFYDKAISTETILQLLDMVVCSEGEVFEINCHPAFID 1xfkA 265 :GVSAPAARGVSLEALAPYFDRILHYKNKLMIADIAEYNPS Number of specific fragments extracted= 10 number of extra gaps= 0 total=37 Number of alignments=3 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1b4kA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1b4kA expands to /projects/compbio/data/pdb/1b4k.pdb.gz 1b4kA:# T0325 read from 1b4kA/merged-good-all-a2m # 1b4kA read from 1b4kA/merged-good-all-a2m # adding 1b4kA to template set # found chain 1b4kA in template set T0325 17 :PAVTQGIIEAHKRG 1b4kA 66 :DQLLIEAEEWVALG T0325 32 :VTSTTALPTSP 1b4kA 80 :IPALALFPVTP T0325 43 :YFLEAMESARISAPTLAIGVHLTLT 1b4kA 107 :IAQRATRALRERFPELGIITDVALD T0325 73 :PILPR 1b4kA 132 :PFTTH T0325 79 :MVPSLVDEAGY 1b4kA 137 :GQDGILDDDGY T0325 100 :VNLEEVYNEWDAQIISFMKSGRRPDHIDS 1b4kA 148 :VLNDVSIDVLVRQALSHAEAGAQVVAPSD T0325 135 :KNKKLLGVALALARKY 1b4kA 177 :MMDGRIGAIREALESA T0325 151 :QLPLRN 1b4kA 196 :NVRIMA T0325 157 :ASRSIETKDYLE 1b4kA 204 :AKYASAYYGPFR T0325 171 :QDVRTPD 1b4kA 225 :GKGNKAT T0325 182 :QFYDKAIS 1b4kA 232 :YQMDPANS T0325 191 :ETILQLLDMVVCS 1b4kA 240 :DEALHEVAADLAE T0325 206 :EVFEINCHPAFI 1b4kA 253 :GADMVMVKPGMP T0325 227 :YCMPRIREVEIL 1b4kA 265 :YLDIVRRVKDEF Number of specific fragments extracted= 14 number of extra gaps= 0 total=51 Number of alignments=4 # 1b4kA read from 1b4kA/merged-good-all-a2m # found chain 1b4kA in template set T0325 17 :PAVTQGIIEAHKRGVVTSTTALPT 1b4kA 66 :DQLLIEAEEWVALGIPALALFPVT T0325 43 :YFLEAMESARISAPTLAIGVHLTLT 1b4kA 107 :IAQRATRALRERFPELGIITDVALD T0325 73 :PILPR 1b4kA 132 :PFTTH T0325 79 :MVPSLVDEAGY 1b4kA 137 :GQDGILDDDGY T0325 100 :VNLEEVYNEWDAQIISFMKSGRRPDHIDS 1b4kA 148 :VLNDVSIDVLVRQALSHAEAGAQVVAPSD T0325 135 :KNKKLLGVALALARKYQLPLRNA 1b4kA 177 :MMDGRIGAIREALESAGHTNVRI T0325 158 :SRSIETKDYLELY 1b4kA 205 :KYASAYYGPFRDA T0325 171 :QDVRTPDE 1b4kA 225 :GKGNKATY T0325 183 :FYDKA 1b4kA 233 :QMDPA T0325 189 :STETILQLLDMVVC 1b4kA 238 :NSDEALHEVAADLA T0325 205 :GEVFEINCHPAFID 1b4kA 252 :EGADMVMVKPGMPY T0325 228 :CMPRIREVEIL 1b4kA 266 :LDIVRRVKDEF Number of specific fragments extracted= 12 number of extra gaps= 0 total=63 Number of alignments=5 # 1b4kA read from 1b4kA/merged-good-all-a2m # found chain 1b4kA in template set T0325 17 :PAVTQGIIEAHKRG 1b4kA 66 :DQLLIEAEEWVALG T0325 32 :VTSTTALPTSP 1b4kA 80 :IPALALFPVTP T0325 43 :YFLEAMESARISAPTLAIGVHLTL 1b4kA 107 :IAQRATRALRERFPELGIITDVAL T0325 71 :AKPILPREMVPSLVDEAG 1b4kA 131 :DPFTTHGQDGILDDDGYV T0325 101 :NLEEVYNEWDAQIISFMKSGRR 1b4kA 149 :LNDVSIDVLVRQALSHAEAGAQ T0325 125 :HIDSH 1b4kA 171 :VVAPS T0325 133 :HGK 1b4kA 176 :DMM T0325 137 :KKLLGVALALARKYQLPLRNA 1b4kA 179 :DGRIGAIREALESAGHTNVRI T0325 158 :SRSIETKDYLEL 1b4kA 205 :KYASAYYGPFRD T0325 175 :TPDEMLYQFYDKAISTETILQLLDMVVCS 1b4kA 224 :LGKGNKATYQMDPANSDEALHEVAADLAE T0325 206 :EVFEINCHPAFID 1b4kA 253 :GADMVMVKPGMPY T0325 219 :TI 1b4kA 267 :DI T0325 231 :RIREVEI 1b4kA 269 :VRRVKDE Number of specific fragments extracted= 13 number of extra gaps= 0 total=76 Number of alignments=6 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2c3zA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2c3zA expands to /projects/compbio/data/pdb/2c3z.pdb.gz 2c3zA:# T0325 read from 2c3zA/merged-good-all-a2m # 2c3zA read from 2c3zA/merged-good-all-a2m # adding 2c3zA to template set # found chain 2c3zA in template set T0325 18 :AVTQGIIEAHKRGVVTSTTALPTS 2c3zA 32 :SLNERILEFNKRNITAIIAEYKRK T0325 42 :P 2c3zA 57 :P T0325 44 :FLEAMESARISA 2c3zA 66 :PIEYSKFMERYA T0325 60 :IGVHLTLT 2c3zA 78 :VGLSILTE T0325 95 :IFEEKVNLEEVYNEW 2c3zA 86 :EKYFNGSYETLRKIA T0325 110 :DAQIISFMKSGRRPDHI 2c3zA 116 :ESQIDDAYNLGADTVLL T0325 131 :NVHGKNKKLLGVALALARKYQLPLRNASRSIETKDYLEL 2c3zA 133 :IVKILTERELESLLEYARSYGMEPLIEINDENDLDIALR T0325 171 :QDVRTPDEMLYQFYDKAISTETILQLLDMV 2c3zA 172 :IGARFIGINSRDLETLEINKENQRKLISMI T0325 204 :EGEVFEINCHP 2c3zA 202 :PSNVVKVAESG T0325 217 :IDT 2c3zA 213 :ISE T0325 232 :IREVEIL 2c3zA 216 :RNEIEEL T0325 248 :EERGILLA 2c3zA 223 :RKLGVNAF Number of specific fragments extracted= 12 number of extra gaps= 0 total=88 Number of alignments=7 # 2c3zA read from 2c3zA/merged-good-all-a2m # found chain 2c3zA in template set T0325 18 :AVTQGIIEAHKRGVVTSTTALPT 2c3zA 32 :SLNERILEFNKRNITAIIAEYKR T0325 44 :FLEAMESARISA 2c3zA 66 :PIEYSKFMERYA T0325 60 :IGVHL 2c3zA 78 :VGLSI T0325 66 :LT 2c3zA 83 :LT T0325 92 :H 2c3zA 85 :E T0325 95 :IFEEKVNLEEVYNEW 2c3zA 86 :EKYFNGSYETLRKIA T0325 110 :DAQIISFMKSGRRPDHI 2c3zA 116 :ESQIDDAYNLGADTVLL T0325 131 :NVHGKNKKLLGVALALARKYQLPLRNASR 2c3zA 133 :IVKILTERELESLLEYARSYGMEPLIEIN T0325 163 :TKDYLELY 2c3zA 162 :DENDLDIA T0325 171 :QDVRTPDEMLYQFYDKAISTETILQLLD 2c3zA 172 :IGARFIGINSRDLETLEINKENQRKLIS T0325 202 :CSEGEVFEINCHPAFIDTI 2c3zA 200 :MIPSNVVKVAESGISERNE T0325 235 :VE 2c3zA 219 :IE T0325 246 :AIEERGILLA 2c3zA 221 :ELRKLGVNAF Number of specific fragments extracted= 13 number of extra gaps= 0 total=101 Number of alignments=8 # 2c3zA read from 2c3zA/merged-good-all-a2m # found chain 2c3zA in template set T0325 19 :VTQGIIEAHKRGVVTSTTALPTS 2c3zA 33 :LNERILEFNKRNITAIIAEYKRK T0325 44 :FLEAMESARISA 2c3zA 66 :PIEYSKFMERYA T0325 60 :IGVHL 2c3zA 78 :VGLSI T0325 66 :LT 2c3zA 83 :LT T0325 80 :V 2c3zA 85 :E T0325 95 :IFEEKVNLEEVYNEW 2c3zA 86 :EKYFNGSYETLRKIA T0325 110 :DAQIISFMKSGRRPDHI 2c3zA 116 :ESQIDDAYNLGADTVLL T0325 131 :NVHGKNKKLLGVALALARKYQLPLRNASRSIETKDYLEL 2c3zA 133 :IVKILTERELESLLEYARSYGMEPLIEINDENDLDIALR T0325 170 :Y 2c3zA 182 :R T0325 185 :DKAISTETILQLLDMVVCSEGEVFEINCHPAFIDTILQ 2c3zA 183 :DLETLEINKENQRKLISMIPSNVVKVAESGISERNEIE T0325 237 :I 2c3zA 221 :E T0325 247 :IEERGILLA 2c3zA 222 :LRKLGVNAF Number of specific fragments extracted= 12 number of extra gaps= 0 total=113 Number of alignments=9 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1igs/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1igs expands to /projects/compbio/data/pdb/1igs.pdb.gz 1igs:Warning: there is no chain 1igs will retry with 1igsA # T0325 read from 1igs/merged-good-all-a2m # 1igs read from 1igs/merged-good-all-a2m # adding 1igs to template set # found chain 1igs in template set T0325 18 :AVTQGIIEAHKRGVVTSTTALPT 1igs 32 :SLNERILEFNKRNITAIIAEYKR T0325 41 :SPY 1igs 56 :SPS T0325 44 :FLEAMESAR 1igs 66 :PIEYSKFME T0325 57 :TLAIGVHLTLT 1igs 75 :RYAVGLSILTE T0325 81 :PSLV 1igs 86 :EKYF T0325 99 :KVNLEEVYNEW 1igs 90 :NGSYETLRKIA T0325 110 :DAQIISFMKSGRRPDHI 1igs 116 :ESQIDDAYNLGADTVLL T0325 131 :NVHGKNKKLLGVALALARKYQLPLRNASRSIETKDYLEL 1igs 133 :IVKILTERELESLLEYARSYGMEPLIEINDENDLDIALR T0325 171 :QDVRTPDEMLYQFYDKAISTETILQLLDMV 1igs 172 :IGARFIGINSRDLETLEINKENQRKLISMI T0325 204 :EGEVFEINCHP 1igs 202 :PSNVVKVAESG T0325 217 :IDT 1igs 213 :ISE T0325 240 :SQEVKE 1igs 216 :RNEIEE T0325 247 :IEERGILLAN 1igs 222 :LRKLGVNAFL Number of specific fragments extracted= 13 number of extra gaps= 0 total=126 Number of alignments=10 # 1igs read from 1igs/merged-good-all-a2m # found chain 1igs in template set T0325 18 :AVTQGIIEAHKRGVVTSTTALPT 1igs 32 :SLNERILEFNKRNITAIIAEYKR T0325 44 :FLEAMESAR 1igs 66 :PIEYSKFME T0325 57 :TLAIGVHLTLT 1igs 75 :RYAVGLSILTE T0325 81 :PS 1igs 86 :EK T0325 97 :EEKVNLEEVYNEW 1igs 88 :YFNGSYETLRKIA T0325 110 :DAQIISFMKSGRRPDHI 1igs 116 :ESQIDDAYNLGADTVLL T0325 131 :NVHGKNKKLLGVALALARKYQLPLRNASRS 1igs 133 :IVKILTERELESLLEYARSYGMEPLIEIND T0325 164 :KDYLELY 1igs 163 :ENDLDIA T0325 171 :QDVRTPDEMLYQFYDKAISTETILQLL 1igs 172 :IGARFIGINSRDLETLEINKENQRKLI T0325 201 :VCSEGEVFEINCHPA 1igs 199 :SMIPSNVVKVAESGI T0325 218 :DTI 1igs 214 :SER T0325 241 :QEV 1igs 217 :NEI T0325 245 :EAIEERGILLAN 1igs 220 :EELRKLGVNAFL Number of specific fragments extracted= 13 number of extra gaps= 0 total=139 Number of alignments=11 # 1igs read from 1igs/merged-good-all-a2m # found chain 1igs in template set T0325 19 :VTQGIIEAHKRGVVTSTTALPT 1igs 33 :LNERILEFNKRNITAIIAEYKR T0325 44 :FLEAMESARI 1igs 66 :PIEYSKFMER T0325 58 :LAIGVHLT 1igs 76 :YAVGLSIL T0325 67 :TLN 1igs 84 :TEE T0325 86 :E 1igs 87 :K T0325 97 :EEKVNLEEVYNEW 1igs 88 :YFNGSYETLRKIA T0325 110 :DAQIISFMKSGRRPDHI 1igs 116 :ESQIDDAYNLGADTVLL T0325 131 :NVHGKNKKLLGVALALARKYQLPLRNASRSIETKDYLEL 1igs 133 :IVKILTERELESLLEYARSYGMEPLIEINDENDLDIALR T0325 170 :YQDVRT 1igs 182 :RDLETL T0325 190 :TETILQLLDMVVCSEGEVFEINCHPAFID 1igs 188 :EINKENQRKLISMIPSNVVKVAESGISER T0325 241 :QEVKE 1igs 217 :NEIEE T0325 247 :IEERGILLA 1igs 222 :LRKLGVNAF Number of specific fragments extracted= 12 number of extra gaps= 0 total=151 Number of alignments=12 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1v4vA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0325 read from 1v4vA/merged-good-all-a2m # 1v4vA read from 1v4vA/merged-good-all-a2m # found chain 1v4vA in training set T0325 3 :NKKLIIN 1v4vA 5 :MKRVVLA T0325 13 :FGYTPAVTQG 1v4vA 12 :FGTRPEATKM T0325 23 :IIEAHKRGVVTSTTALPTSP 1v4vA 25 :YLALRGIPGLKPLVLLTGQH T0325 44 :FLEAMESAR 1v4vA 45 :REQLRQALS T0325 54 :SAP 1v4vA 54 :LFG T0325 58 :L 1v4vA 57 :I T0325 78 :EMVPSL 1v4vA 58 :QEDRNL T0325 94 :SIFEEKVNLEEVYNEWDAQI 1v4vA 64 :DVMQERQALPDLAARILPQA T0325 114 :ISFMKSG 1v4vA 85 :RALKEMG T0325 123 :PDHIDSH 1v4vA 92 :ADYVLVH T0325 135 :KNKKLLGVALALARKYQLPL 1v4vA 99 :GDTLTTFAVAWAAFLEGIPV T0325 155 :RNASRSIETKDYLELY 1v4vA 125 :LRSGNLKEPFPEEANR T0325 171 :QDVR 1v4vA 193 :EGLP T0325 175 :TPDEMLYQF 1v4vA 206 :HRRENWPLL T0325 191 :ETILQLLDMVVCSEGEVFEINC 1v4vA 215 :SDLAQALKRVAEAFPHLTFVYP T0325 217 :ID 1v4vA 237 :VH T0325 239 :TSQEVKEAIEER 1v4vA 239 :LNPVVREAVFPV T0325 251 :GI 1v4vA 253 :GV T0325 253 :LLANYESL 1v4vA 256 :NFVLLDPL Number of specific fragments extracted= 19 number of extra gaps= 0 total=170 Number of alignments=13 # 1v4vA read from 1v4vA/merged-good-all-a2m # found chain 1v4vA in training set T0325 3 :NKKLIIN 1v4vA 5 :MKRVVLA T0325 13 :FGYTPAVTQG 1v4vA 12 :FGTRPEATKM T0325 23 :IIEAHKRGVVTSTTALPTSPY 1v4vA 25 :YLALRGIPGLKPLVLLTGQHR T0325 45 :LEAMESARISAPTLA 1v4vA 46 :EQLRQALSLFGIQED T0325 81 :PSL 1v4vA 61 :RNL T0325 94 :SIFEEKVNLEEVYNEWDAQI 1v4vA 64 :DVMQERQALPDLAARILPQA T0325 114 :ISFMKSG 1v4vA 85 :RALKEMG T0325 123 :PDHIDSH 1v4vA 92 :ADYVLVH T0325 135 :KNKKLLGVALALARKYQLPL 1v4vA 99 :GDTLTTFAVAWAAFLEGIPV T0325 155 :RNASRSIETKDYLELY 1v4vA 125 :LRSGNLKEPFPEEANR T0325 171 :QDVR 1v4vA 193 :EGLP T0325 175 :TPDEMLYQF 1v4vA 206 :HRRENWPLL T0325 190 :TETILQLLDMVVCSEGEVFEINCH 1v4vA 215 :SDLAQALKRVAEAFPHLTFVYPVH T0325 239 :TSQEVKEAIEER 1v4vA 239 :LNPVVREAVFPV T0325 251 :GI 1v4vA 253 :GV T0325 253 :LLANYESL 1v4vA 256 :NFVLLDPL Number of specific fragments extracted= 16 number of extra gaps= 0 total=186 Number of alignments=14 # 1v4vA read from 1v4vA/merged-good-all-a2m # found chain 1v4vA in training set Warning: unaligning (T0325)S2 because first residue in template chain is (1v4vA)G4 T0325 3 :NKKLIIN 1v4vA 5 :MKRVVLA T0325 13 :FGYTPAVTQ 1v4vA 12 :FGTRPEATK T0325 22 :GIIEAHKRGVVTSTTALPTSPY 1v4vA 24 :VYLALRGIPGLKPLVLLTGQHR T0325 45 :LEAMESARISAPTLAIG 1v4vA 46 :EQLRQALSLFGIQEDRN T0325 73 :PILP 1v4vA 63 :LDVM T0325 97 :EEKVNLEEVYNEWDAQI 1v4vA 67 :QERQALPDLAARILPQA T0325 114 :ISFMKSG 1v4vA 85 :RALKEMG T0325 123 :PDHIDSHHN 1v4vA 92 :ADYVLVHGD T0325 137 :KKLLGVALALARKYQLPL 1v4vA 101 :TLTTFAVAWAAFLEGIPV T0325 155 :RNASRSIETKDYLEL 1v4vA 124 :GLRSGNLKEPFPEEA T0325 174 :RTPDE 1v4vA 205 :MHRRE T0325 185 :DKAISTETILQLLDMVVCSEGEVFEINCH 1v4vA 210 :NWPLLSDLAQALKRVAEAFPHLTFVYPVH T0325 239 :TSQEVKEAIEE 1v4vA 239 :LNPVVREAVFP T0325 250 :RGILLA 1v4vA 255 :RNFVLL Number of specific fragments extracted= 14 number of extra gaps= 0 total=200 Number of alignments=15 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2d13A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2d13A expands to /projects/compbio/data/pdb/2d13.pdb.gz 2d13A:# T0325 read from 2d13A/merged-good-all-a2m # 2d13A read from 2d13A/merged-good-all-a2m # adding 2d13A to template set # found chain 2d13A in template set Warning: unaligning (T0325)T40 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2d13A)N51 Warning: unaligning (T0325)T67 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2d13A)E74 Warning: unaligning (T0325)P76 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2d13A)E74 T0325 1 :MSNKKLIINA 2d13A 2 :VGLADVAVLY T0325 14 :GYTPAVTQGIIEAHKRG 2d13A 12 :SGGKDSNYALYWALKSG T0325 31 :VVTSTTALP 2d13A 30 :RVRYLVSMV T0325 41 :SPYFLEAMESAR 2d13A 52 :VELTSLQARALG T0325 58 :LAI 2d13A 64 :IPI T0325 63 :HLTL 2d13A 67 :IKGF T0325 98 :EKVNLEEVYNEWD 2d13A 75 :KEKEVEDLKNVLE T0325 120 :GRRPDHIDSHH 2d13A 88 :GLKVDGIVAGA T0325 134 :GKNKKLLGVALALARKYQLPLRNASRSIETKDYLELY 2d13A 99 :LASRYQKERIENVARELGLKVYTPAWEKDPYQYMLEI T0325 171 :QDVR 2d13A 150 :YGLN T0325 177 :DE 2d13A 154 :ES T0325 183 :FYDKAISTETILQLLDMVVCSE 2d13A 156 :WLGRELNYKNLEELKKLSEKYG Number of specific fragments extracted= 12 number of extra gaps= 0 total=212 Number of alignments=16 # 2d13A read from 2d13A/merged-good-all-a2m # found chain 2d13A in template set Warning: unaligning (T0325)T40 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2d13A)N51 Warning: unaligning (T0325)T67 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2d13A)E74 Warning: unaligning (T0325)E97 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2d13A)E74 T0325 2 :SNKKLIINA 2d13A 3 :GLADVAVLY T0325 14 :GYTPAVTQGIIEAHKRG 2d13A 12 :SGGKDSNYALYWALKSG T0325 31 :VVTSTTAL 2d13A 30 :RVRYLVSM T0325 41 :SPYFLEAMESAR 2d13A 52 :VELTSLQARALG T0325 58 :LAI 2d13A 64 :IPI T0325 63 :HLTL 2d13A 67 :IKGF T0325 98 :EKVNLEEVYNEWD 2d13A 75 :KEKEVEDLKNVLE T0325 120 :GRRPDHIDSH 2d13A 88 :GLKVDGIVAG T0325 133 :HGKNKKLLGVALALARKYQLPLRNASRSIETKDYLELY 2d13A 98 :ALASRYQKERIENVARELGLKVYTPAWEKDPYQYMLEI T0325 171 :QD 2d13A 150 :YG T0325 175 :TPDEM 2d13A 152 :LNESW T0325 184 :YDKAISTETILQLLDMVVCSE 2d13A 157 :LGRELNYKNLEELKKLSEKYG Number of specific fragments extracted= 12 number of extra gaps= 0 total=224 Number of alignments=17 # 2d13A read from 2d13A/merged-good-all-a2m # found chain 2d13A in template set Warning: unaligning (T0325)Q70 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2d13A)N51 Warning: unaligning (T0325)V80 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2d13A)N51 T0325 3 :NK 2d13A 4 :LA T0325 33 :TSTTALPTSPYFLEAMESARI 2d13A 6 :DVAVLYSGGKDSNYALYWALK T0325 56 :PTLAIGVHLTLTLN 2d13A 27 :SGLRVRYLVSMVSE T0325 81 :P 2d13A 52 :V T0325 87 :AGYFWHQSIFE 2d13A 53 :ELTSLQARALG T0325 98 :EKVNLEEVYNEWD 2d13A 75 :KEKEVEDLKNVLE T0325 120 :GRRPDHIDS 2d13A 88 :GLKVDGIVA T0325 132 :VHGKNKKLLGVALALARKYQLPLRNASRSIETK 2d13A 97 :GALASRYQKERIENVARELGLKVYTPAWEKDPY T0325 195 :QLLDMVVCSEGEVFEINCHPAFIDTILQN 2d13A 130 :QYMLEIIKLGFKVVFVAVSAYGLNESWLG T0325 225 :SGYCMPRIR 2d13A 159 :RELNYKNLE T0325 242 :EVKEAIEERGI 2d13A 168 :ELKKLSEKYGI Number of specific fragments extracted= 11 number of extra gaps= 0 total=235 Number of alignments=18 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1gca/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0325 read from 1gca/merged-good-all-a2m # 1gca read from 1gca/merged-good-all-a2m # found chain 1gca in training set T0325 6 :LIINADDFGYT 1gca 34 :VQLLMNDSQND T0325 17 :PAVTQGIIEAHKRGVVTSTTALPTSPYFLEAMESARIS 1gca 46 :SKQNDQIDVLLAKGVKALAINLVDPAAAGTVIEKARGQ T0325 57 :TLAIGV 1gca 84 :NVPVVF T0325 66 :LT 1gca 90 :FN T0325 71 :AK 1gca 92 :KE T0325 91 :WHQSIFEEK 1gca 94 :PSRKALDSY T0325 100 :VNLEEVYNEWDAQIISFMK 1gca 110 :TDSKESGVIQGDLIAKHWQ T0325 119 :S 1gca 135 :L T0325 120 :GRRPDHID 1gca 138 :DGKIQYVL T0325 130 :HNVHGKNK 1gca 146 :LKGEPGHP T0325 138 :KLLGVALALARKYQLPLRNAS 1gca 157 :ARTTYVVKELNDKGIQTEQLA T0325 183 :FYDKAISTETILQLLDMVVCSEGE 1gca 178 :LDTAMWDTAQAKDKMDAWLSGPNA T0325 207 :VFEINCHPA 1gca 204 :IEVVIANND T0325 229 :MPRIREVEILTS 1gca 213 :AMAMGAVEALKA T0325 241 :QEVKEAIEER 1gca 239 :PEALALVKSG Number of specific fragments extracted= 15 number of extra gaps= 0 total=250 Number of alignments=19 # 1gca read from 1gca/merged-good-all-a2m # found chain 1gca in training set Warning: unaligning (T0325)S2 because first residue in template chain is (1gca)A1 T0325 3 :NKKLIINA 1gca 2 :DTRIGVTI T0325 15 :YTPAVTQ 1gca 10 :YKYDDNF T0325 41 :SPYFLEAMESARISAPTLAIGV 1gca 17 :MSVVRKAIEKDGKSAPDVQLLM T0325 66 :LTLNQ 1gca 39 :NDSQN T0325 101 :N 1gca 44 :D T0325 106 :YNEWDAQIISFMKSGRRPDHIDS 1gca 45 :QSKQNDQIDVLLAKGVKALAINL T0325 135 :KNKKLLGVALALARKYQLPLRNASRSIE 1gca 68 :VDPAAAGTVIEKARGQNVPVVFFNKEPS T0325 164 :KDYLELY 1gca 96 :RKALDSY T0325 174 :RTPDEMLYQF 1gca 110 :TDSKESGVIQ T0325 190 :TETILQLLDM 1gca 120 :GDLIAKHWQA T0325 200 :VV 1gca 133 :WD T0325 202 :CSEGEVFEINCHP 1gca 136 :NKDGKIQYVLLKG T0325 225 :SGYCMPRIREVEI 1gca 149 :EPGHPDAEARTTY T0325 243 :VKEAIEERGILLANY 1gca 162 :VVKELNDKGIQTEQL Number of specific fragments extracted= 14 number of extra gaps= 0 total=264 Number of alignments=20 # 1gca read from 1gca/merged-good-all-a2m # found chain 1gca in training set Warning: unaligning (T0325)S2 because first residue in template chain is (1gca)A1 T0325 3 :NKKLIINA 1gca 2 :DTRIGVTI T0325 15 :YTPAVT 1gca 10 :YKYDDN T0325 40 :TSPYFLEAMESARISAPTLAIGVH 1gca 16 :FMSVVRKAIEKDGKSAPDVQLLMN T0325 75 :L 1gca 41 :S T0325 99 :KVNLE 1gca 42 :QNDQS T0325 108 :EWDAQIISFMKSGRRPDHI 1gca 47 :KQNDQIDVLLAKGVKALAI T0325 133 :HGKNKKLLGVALALARKYQLPLRNASRSIETKDYLEL 1gca 66 :NLVDPAAAGTVIEKARGQNVPVVFFNKEPSRKALDSY T0325 186 :KAISTETILQLLDMVV 1gca 112 :SKESGVIQGDLIAKHW T0325 202 :CSEGEVFEINCH 1gca 136 :NKDGKIQYVLLK T0325 215 :A 1gca 148 :G T0325 225 :SGYCMPRIREVEI 1gca 149 :EPGHPDAEARTTY T0325 243 :VKEAIEERGILLAN 1gca 162 :VVKELNDKGIQTEQ Number of specific fragments extracted= 12 number of extra gaps= 0 total=276 Number of alignments=21 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1mi3A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1mi3A expands to /projects/compbio/data/pdb/1mi3.pdb.gz 1mi3A:# T0325 read from 1mi3A/merged-good-all-a2m # 1mi3A read from 1mi3A/merged-good-all-a2m # adding 1mi3A to template set # found chain 1mi3A in template set T0325 4 :KKLIINADDFGYTPAVTQGIIEAHKRGV 1mi3A 43 :YRLFDGAEDYGNEKEVGDGVKRAIDEGL T0325 32 :VTSTTALP 1mi3A 76 :IFLTSKLW T0325 40 :TSPYFLEAMESARISAPTLAIGVHLTLTL 1mi3A 88 :DPKNVETALNKTLADLKVDYVDLFLIHFP T0325 70 :QAKPILPREMVPSL 1mi3A 117 :IAFKFVPIEEKYPP T0325 84 :VDEAGYFWH 1mi3A 134 :CGDGNNFVY T0325 98 :EKVNLEEVYNEWDA 1mi3A 143 :EDVPILETWKALEK T0325 116 :FMKSGRRPDHIDS 1mi3A 157 :LVAAGKIKSIGVS T0325 135 :KNK 1mi3A 170 :NFP T0325 140 :LGVALALARKYQLPLRN 1mi3A 173 :GALLLDLLRGATIKPAV T0325 181 :YQFYDKAISTE 1mi3A 192 :VEHHPYLQQPK T0325 196 :LLDMVVCSE 1mi3A 203 :LIEFAQKAG T0325 208 :FEINCHPAFIDTILQNQS 1mi3A 212 :VTITAYSSFGPQSFVEMN T0325 226 :GYCM 1mi3A 235 :NTPT T0325 237 :ILTSQEVKEAIEERGIL 1mi3A 239 :LFAHDTIKAIAAKYNKT Number of specific fragments extracted= 14 number of extra gaps= 0 total=290 Number of alignments=22 # 1mi3A read from 1mi3A/merged-good-all-a2m # found chain 1mi3A in template set T0325 4 :KKLIINADDFGYTPAVTQGIIEAHKRGV 1mi3A 43 :YRLFDGAEDYGNEKEVGDGVKRAIDEGL T0325 32 :VTSTTALPT 1mi3A 76 :IFLTSKLWN T0325 41 :SPYFLEAMESARISAPTLAIGVHLTLTL 1mi3A 89 :PKNVETALNKTLADLKVDYVDLFLIHFP T0325 70 :QAKPILPREM 1mi3A 117 :IAFKFVPIEE T0325 89 :YFWHQSI 1mi3A 127 :KYPPGFY T0325 96 :FEEKVNLEEVYNEWDA 1mi3A 141 :VYEDVPILETWKALEK T0325 116 :FMKSGRRPDHIDS 1mi3A 157 :LVAAGKIKSIGVS T0325 135 :KNK 1mi3A 170 :NFP T0325 140 :LGVALALARKYQLPLRNA 1mi3A 173 :GALLLDLLRGATIKPAVL T0325 173 :VR 1mi3A 192 :VE T0325 183 :FYDKAISTETILQLLD 1mi3A 194 :HHPYLQQPKLIEFAQK T0325 205 :GEVF 1mi3A 210 :AGVT T0325 210 :INCHPAFIDTILQNQS 1mi3A 214 :ITAYSSFGPQSFVEMN T0325 230 :PRIR 1mi3A 231 :GRAL T0325 237 :ILTSQEVKEAIEERGIL 1mi3A 239 :LFAHDTIKAIAAKYNKT Number of specific fragments extracted= 15 number of extra gaps= 0 total=305 Number of alignments=23 # 1mi3A read from 1mi3A/merged-good-all-a2m # found chain 1mi3A in template set T0325 4 :KKLIINADDFGYTPAVTQGIIEAHKRGV 1mi3A 43 :YRLFDGAEDYGNEKEVGDGVKRAIDEGL T0325 32 :VTSTTALPTS 1mi3A 76 :IFLTSKLWNN T0325 42 :PYFLEAMESARISAPTLAIGVHLT 1mi3A 90 :KNVETALNKTLADLKVDYVDLFLI T0325 66 :LTLNQAKPILPREMVPSLVDEAGYFW 1mi3A 117 :IAFKFVPIEEKYPPGFYCGDGNNFVY T0325 98 :EKVNLEEVYNEWDAQII 1mi3A 143 :EDVPILETWKALEKLVA T0325 115 :SFMK 1mi3A 178 :DLLR T0325 119 :SGRRPDHIDSHHNVHGK 1mi3A 183 :ATIKPAVLQVEHHPYLQ T0325 139 :LLGV 1mi3A 200 :QPKL T0325 144 :LALARKYQLPLRNASRSIE 1mi3A 204 :IEFAQKAGVTITAYSSFGP T0325 163 :TKDYLELYQDVRTPDEMLYQ 1mi3A 226 :VEMNQGRALNTPTLFAHDTI T0325 183 :FYDKAISTETILQLLDMVVCSE 1mi3A 247 :AIAAKYNKTPAEVLLRWAAQRG T0325 209 :EINCHPAFIDTILQNQSGYCMP 1mi3A 269 :IAVIPKSNLPERLVQNRSFNTF T0325 239 :TSQEVKEAIEER 1mi3A 292 :LTKEDFEEIAKL Number of specific fragments extracted= 13 number of extra gaps= 0 total=318 Number of alignments=24 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1gzgA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1gzgA expands to /projects/compbio/data/pdb/1gzg.pdb.gz 1gzgA:Skipped atom 233, because occupancy 0.5 <= existing 0.500 in 1gzgA Skipped atom 235, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 237, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 239, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 241, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 243, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 245, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 262, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 264, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 266, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 268, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 270, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 272, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 274, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 323, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 325, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 327, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 329, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 331, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 333, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 335, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 419, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 421, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 423, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 425, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 427, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 429, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 575, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 577, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 579, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 581, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 583, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 585, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 587, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 1241, because occupancy 0.200 <= existing 0.800 in 1gzgA Skipped atom 1243, because occupancy 0.200 <= existing 0.800 in 1gzgA Skipped atom 1245, because occupancy 0.200 <= existing 0.800 in 1gzgA Skipped atom 1247, because occupancy 0.200 <= existing 0.800 in 1gzgA Skipped atom 1249, because occupancy 0.200 <= existing 0.800 in 1gzgA Skipped atom 1251, because occupancy 0.200 <= existing 0.800 in 1gzgA Skipped atom 1253, because occupancy 0.200 <= existing 0.800 in 1gzgA Skipped atom 1255, because occupancy 0.200 <= existing 0.800 in 1gzgA Skipped atom 1257, because occupancy 0.200 <= existing 0.800 in 1gzgA Skipped atom 1259, because occupancy 0.200 <= existing 0.800 in 1gzgA Skipped atom 1261, because occupancy 0.200 <= existing 0.800 in 1gzgA Skipped atom 1453, because occupancy 0.200 <= existing 0.800 in 1gzgA Skipped atom 1455, because occupancy 0.200 <= existing 0.800 in 1gzgA Skipped atom 1457, because occupancy 0.200 <= existing 0.800 in 1gzgA Skipped atom 1459, because occupancy 0.200 <= existing 0.800 in 1gzgA Skipped atom 1461, because occupancy 0.200 <= existing 0.800 in 1gzgA Skipped atom 1463, because occupancy 0.200 <= existing 0.800 in 1gzgA Skipped atom 1465, because occupancy 0.200 <= existing 0.800 in 1gzgA Skipped atom 1491, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 1493, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 1495, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 1497, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 1499, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 1501, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 2021, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 2023, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 2025, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 2027, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 2029, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 2031, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 2033, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 2035, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 2116, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 2118, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 2120, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 2122, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 2124, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 2126, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 2128, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 2130, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 2132, because occupancy 0.300 <= existing 0.700 in 1gzgA Skipped atom 2162, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 2164, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 2166, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 2168, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 2170, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 2172, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 2174, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 2176, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 2178, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 2180, because occupancy 0.500 <= existing 0.500 in 1gzgA Skipped atom 2182, because occupancy 0.500 <= existing 0.500 in 1gzgA # T0325 read from 1gzgA/merged-good-all-a2m # 1gzgA read from 1gzgA/merged-good-all-a2m # adding 1gzgA to template set # found chain 1gzgA in template set Warning: unaligning (T0325)A157 because of BadResidue code BAD_PEPTIDE in next template residue (1gzgA)K205 Warning: unaligning (T0325)S158 because of BadResidue code BAD_PEPTIDE at template residue (1gzgA)K205 Warning: unaligning (T0325)C212 because of BadResidue code BAD_PEPTIDE in next template residue (1gzgA)K260 Warning: unaligning (T0325)H213 because of BadResidue code BAD_PEPTIDE at template residue (1gzgA)K260 Warning: unaligning (T0325)P214 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1gzgA)P261 T0325 17 :PAVTQGIIEAHKRG 1gzgA 66 :DQLLIEAEEWVALG T0325 32 :VTSTTALPTSP 1gzgA 80 :IPALALFPVTP T0325 43 :YFLEAMESARISAPTLAIGVHLTLT 1gzgA 107 :IAQRATRALRERFPELGIITDVALD T0325 73 :PILPR 1gzgA 132 :PFTTH T0325 79 :MVPSLVDEAGYF 1gzgA 137 :GQNGILDDDGYV T0325 101 :NLEEVYNEWDAQIISFMKSGRRPDHIDS 1gzgA 149 :LNDVSIDVLVRQALSHAEAGAQVVAPSD T0325 135 :KNKKLLGVALALARKY 1gzgA 177 :MMDGRIGAIREALESA T0325 151 :QLPLRN 1gzgA 196 :NVRVMA T0325 159 :RSIETKDYLELY 1gzgA 206 :YASAYYGPFRDA T0325 171 :QDVRTPD 1gzgA 225 :GKGNKAT T0325 182 :QFYDKAIS 1gzgA 232 :YQMDPANS T0325 191 :ETILQLLDMVVCS 1gzgA 240 :DEALHEVAADLAE T0325 206 :EVFEIN 1gzgA 253 :GADMVM T0325 215 :AF 1gzgA 262 :GM T0325 226 :GYCMPRIREVEIL 1gzgA 264 :PYLDIVRRVKDEF Number of specific fragments extracted= 15 number of extra gaps= 2 total=333 Number of alignments=25 # 1gzgA read from 1gzgA/merged-good-all-a2m # found chain 1gzgA in template set Warning: unaligning (T0325)S158 because of BadResidue code BAD_PEPTIDE at template residue (1gzgA)K205 Warning: unaligning (T0325)C212 because of BadResidue code BAD_PEPTIDE in next template residue (1gzgA)K260 Warning: unaligning (T0325)H213 because of BadResidue code BAD_PEPTIDE at template residue (1gzgA)K260 Warning: unaligning (T0325)P214 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1gzgA)P261 T0325 17 :PAVTQGIIEAHKRGVVTSTTALPT 1gzgA 66 :DQLLIEAEEWVALGIPALALFPVT T0325 43 :YFLEAMESARISAPTLAIGVHLTLT 1gzgA 107 :IAQRATRALRERFPELGIITDVALD T0325 73 :PILPR 1gzgA 132 :PFTTH T0325 79 :MVPSLVDEAGYF 1gzgA 137 :GQNGILDDDGYV T0325 101 :NLEEVYNEWDAQIISFMKSGRRPDHIDS 1gzgA 149 :LNDVSIDVLVRQALSHAEAGAQVVAPSD T0325 135 :KNKKLLGVALALARKYQLPLRNA 1gzgA 177 :MMDGRIGAIREALESAGHTNVRV T0325 159 :RSIETKDYLELY 1gzgA 206 :YASAYYGPFRDA T0325 171 :QDVRTPDE 1gzgA 225 :GKGNKATY T0325 183 :FYDKA 1gzgA 233 :QMDPA T0325 189 :STETILQLLDMVVC 1gzgA 238 :NSDEALHEVAADLA T0325 205 :GEVFEIN 1gzgA 252 :EGADMVM T0325 215 :AFID 1gzgA 262 :GMPY T0325 229 :MPRIREVEIL 1gzgA 267 :DIVRRVKDEF Number of specific fragments extracted= 13 number of extra gaps= 2 total=346 Number of alignments=26 # 1gzgA read from 1gzgA/merged-good-all-a2m # found chain 1gzgA in template set Warning: unaligning (T0325)S158 because of BadResidue code BAD_PEPTIDE at template residue (1gzgA)K205 Warning: unaligning (T0325)C212 because of BadResidue code BAD_PEPTIDE in next template residue (1gzgA)K260 Warning: unaligning (T0325)H213 because of BadResidue code BAD_PEPTIDE at template residue (1gzgA)K260 Warning: unaligning (T0325)P214 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1gzgA)P261 T0325 17 :PAVTQGIIEAHKRGV 1gzgA 66 :DQLLIEAEEWVALGI T0325 33 :TSTTALPTSP 1gzgA 81 :PALALFPVTP T0325 43 :YFLEAMESARISAPTLAIGVHLTL 1gzgA 107 :IAQRATRALRERFPELGIITDVAL T0325 69 :NQ 1gzgA 131 :DP T0325 73 :PILPREMVPSLVDEAG 1gzgA 133 :FTTHGQNGILDDDGYV T0325 101 :NLEEVYNEWDAQIISFMKSGRRP 1gzgA 149 :LNDVSIDVLVRQALSHAEAGAQV T0325 126 :IDSH 1gzgA 172 :VAPS T0325 133 :HGK 1gzgA 176 :DMM T0325 137 :KKLLGVALALARKYQLPLRNA 1gzgA 179 :DGRIGAIREALESAGHTNVRV T0325 159 :RSIETKDYLEL 1gzgA 206 :YASAYYGPFRD T0325 175 :TPDEMLYQFYDKAISTETILQLLDMVVCS 1gzgA 224 :LGKGNKATYQMDPANSDEALHEVAADLAE T0325 206 :EVFEIN 1gzgA 253 :GADMVM T0325 215 :AFID 1gzgA 262 :GMPY T0325 219 :TI 1gzgA 267 :DI T0325 231 :RIREVEI 1gzgA 269 :VRRVKDE Number of specific fragments extracted= 15 number of extra gaps= 2 total=361 Number of alignments=27 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1hjsA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1hjsA expands to /projects/compbio/data/pdb/1hjs.pdb.gz 1hjsA:Skipped atom 1871, because occupancy 0.500 <= existing 0.500 in 1hjsA Skipped atom 1875, because occupancy 0.500 <= existing 0.500 in 1hjsA Skipped atom 1877, because occupancy 0.500 <= existing 0.500 in 1hjsA Skipped atom 1879, because occupancy 0.500 <= existing 0.500 in 1hjsA Skipped atom 1881, because occupancy 0.500 <= existing 0.500 in 1hjsA # T0325 read from 1hjsA/merged-good-all-a2m # 1hjsA read from 1hjsA/merged-good-all-a2m # adding 1hjsA to template set # found chain 1hjsA in template set T0325 23 :IIEAHKRGVVTSTTALP 1hjsA 32 :LENILAANGVNTVRQRV T0325 40 :TSPYFLEAMESARIS 1hjsA 58 :NLDYNIAIAKRAKAA T0325 57 :TLAIGVHLTLT 1hjsA 73 :GLGVYIDFHYS T0325 70 :QA 1hjsA 84 :DT T0325 74 :ILPREMV 1hjsA 86 :WADPAHQ T0325 82 :SLV 1hjsA 93 :TMP T0325 87 :AGYF 1hjsA 96 :AGWP T0325 100 :VNLE 1hjsA 100 :SDID T0325 104 :EVYNEWDAQIISFMKSGRRPDHIDSHHNVHG 1hjsA 108 :KLYNYTLDAANKLQNAGIQPTIVSIGNEIRA T0325 135 :KNKKLLGVALALARKY 1hjsA 149 :NWANIARLLHSAAWGI T0325 151 :QL 1hjsA 168 :SL T0325 154 :LRNASRSIETKDYLELY 1hjsA 176 :MIHLDNGWDWGTQNWWY T0325 171 :QDVRTPDEMLYQ 1hjsA 198 :QGTLELSDFDMM T0325 183 :FYDKAISTETILQLLDMVVCSEGEVFEIN 1hjsA 216 :FYSSSATLSALKSSLDNMAKTWNKEIAVV T0325 212 :CHPAFID 1hjsA 247 :NWPISCP T0325 219 :TILQNQSGYCMPRIREVEILTS 1hjsA 258 :SFPSDVKNIPFSPEGQTTFITN T0325 243 :VKEAIEER 1hjsA 280 :VANIVSSV Number of specific fragments extracted= 17 number of extra gaps= 0 total=378 Number of alignments=28 # 1hjsA read from 1hjsA/merged-good-all-a2m # found chain 1hjsA in template set T0325 23 :IIEAHKRGVVTSTTALP 1hjsA 32 :LENILAANGVNTVRQRV T0325 40 :TSPYFLEAMESARIS 1hjsA 58 :NLDYNIAIAKRAKAA T0325 57 :TLAIGVHLTLT 1hjsA 73 :GLGVYIDFHYS T0325 70 :QA 1hjsA 84 :DT T0325 74 :ILPREMV 1hjsA 86 :WADPAHQ T0325 82 :SLV 1hjsA 93 :TMP T0325 86 :EA 1hjsA 96 :AG T0325 89 :Y 1hjsA 98 :W T0325 99 :KVNLE 1hjsA 99 :PSDID T0325 104 :EVYNEWDAQIISFMKSGRRPDHIDSHHNVHG 1hjsA 108 :KLYNYTLDAANKLQNAGIQPTIVSIGNEIRA T0325 135 :KNKKLLGVALALARKY 1hjsA 149 :NWANIARLLHSAAWGI T0325 151 :QLP 1hjsA 168 :SLS T0325 154 :LRNASRSIETKDYLELY 1hjsA 176 :MIHLDNGWDWGTQNWWY T0325 171 :QDVRTPDEMLYQ 1hjsA 198 :QGTLELSDFDMM T0325 183 :FYDKAISTETILQLLDMVV 1hjsA 216 :FYSSSATLSALKSSLDNMA T0325 202 :CSEGEVFEINCH 1hjsA 236 :TWNKEIAVVETN T0325 214 :PAF 1hjsA 249 :PIS T0325 219 :TILQNQSGYCMPRIREVEILT 1hjsA 258 :SFPSDVKNIPFSPEGQTTFIT T0325 242 :EVKEAIEER 1hjsA 279 :NVANIVSSV Number of specific fragments extracted= 19 number of extra gaps= 0 total=397 Number of alignments=29 # 1hjsA read from 1hjsA/merged-good-all-a2m # found chain 1hjsA in template set T0325 23 :IIEAHKRGVVTSTTALP 1hjsA 32 :LENILAANGVNTVRQRV T0325 40 :TSPYFLEAMESARI 1hjsA 58 :NLDYNIAIAKRAKA T0325 56 :PTL 1hjsA 72 :AGL T0325 61 :GVHLTLTLNQAKPILPREMVP 1hjsA 75 :GVYIDFHYSDTWADPAHQTMP T0325 85 :DEAGYFWHQSI 1hjsA 96 :AGWPSDIDNLS T0325 103 :EEVYNEWDAQIISFMKSGRRPDHIDSHHNVHG 1hjsA 107 :WKLYNYTLDAANKLQNAGIQPTIVSIGNEIRA T0325 137 :K 1hjsA 143 :P T0325 138 :KLLGVALALARKYQLP 1hjsA 155 :RLLHSAAWGIKDSSLS T0325 154 :LRNASRSIETKDYLEL 1hjsA 176 :MIHLDNGWDWGTQNWW T0325 170 :YQDVRTPDEMLYQ 1hjsA 196 :LKQGTLELSDFDM T0325 183 :FYDKAISTETILQLLDMVVCSEGEVFEINCHPAFID 1hjsA 216 :FYSSSATLSALKSSLDNMAKTWNKEIAVVETNWPIS T0325 219 :TILQNQSGYCMPRIREVEILT 1hjsA 258 :SFPSDVKNIPFSPEGQTTFIT T0325 242 :EVKEAIEE 1hjsA 279 :NVANIVSS Number of specific fragments extracted= 13 number of extra gaps= 0 total=410 Number of alignments=30 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1s1pA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1s1pA expands to /projects/compbio/data/pdb/1s1p.pdb.gz 1s1pA:Skipped atom 6, because occupancy 0.300 <= existing 0.700 in 1s1pA Skipped atom 8, because occupancy 0.300 <= existing 0.700 in 1s1pA Skipped atom 10, because occupancy 0.300 <= existing 0.700 in 1s1pA Skipped atom 12, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 14, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 20, because occupancy 0.300 <= existing 0.700 in 1s1pA Skipped atom 22, because occupancy 0.300 <= existing 0.700 in 1s1pA Skipped atom 180, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 182, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 184, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 186, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 188, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 432, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 434, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 436, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 438, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 440, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 498, because occupancy 0.500 <= existing 0.500 in 1s1pA Skipped atom 500, because occupancy 0.500 <= existing 0.500 in 1s1pA Skipped atom 781, because occupancy 0.200 <= existing 0.800 in 1s1pA Skipped atom 783, because occupancy 0.200 <= existing 0.800 in 1s1pA Skipped atom 785, because occupancy 0.200 <= existing 0.800 in 1s1pA Skipped atom 787, because occupancy 0.200 <= existing 0.800 in 1s1pA Skipped atom 1082, because occupancy 0.300 <= existing 0.700 in 1s1pA Skipped atom 1084, because occupancy 0.300 <= existing 0.700 in 1s1pA Skipped atom 1086, because occupancy 0.300 <= existing 0.700 in 1s1pA Skipped atom 1088, because occupancy 0.300 <= existing 0.700 in 1s1pA Skipped atom 1090, because occupancy 0.300 <= existing 0.700 in 1s1pA Skipped atom 1092, because occupancy 0.300 <= existing 0.700 in 1s1pA Skipped atom 1094, because occupancy 0.300 <= existing 0.700 in 1s1pA Skipped atom 1204, because occupancy 0.500 <= existing 0.500 in 1s1pA Skipped atom 1206, because occupancy 0.500 <= existing 0.500 in 1s1pA Skipped atom 1208, because occupancy 0.500 <= existing 0.500 in 1s1pA Skipped atom 1210, because occupancy 0.500 <= existing 0.500 in 1s1pA Skipped atom 1212, because occupancy 0.500 <= existing 0.500 in 1s1pA Skipped atom 1378, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 1380, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 1382, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 1384, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 1621, because occupancy 0.500 <= existing 0.500 in 1s1pA Skipped atom 1623, because occupancy 0.500 <= existing 0.500 in 1s1pA Skipped atom 1625, because occupancy 0.500 <= existing 0.500 in 1s1pA Skipped atom 1627, because occupancy 0.500 <= existing 0.500 in 1s1pA Skipped atom 1850, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 1852, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 1905, because occupancy 0.500 <= existing 0.500 in 1s1pA Skipped atom 1907, because occupancy 0.500 <= existing 0.500 in 1s1pA Skipped atom 1909, because occupancy 0.500 <= existing 0.500 in 1s1pA Skipped atom 2192, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 2194, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 2196, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 2198, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 2200, because occupancy 0.400 <= existing 0.600 in 1s1pA Skipped atom 2260, because occupancy 0.500 <= existing 0.500 in 1s1pA Skipped atom 2262, because occupancy 0.500 <= existing 0.500 in 1s1pA Skipped atom 2264, because occupancy 0.500 <= existing 0.500 in 1s1pA Skipped atom 2266, because occupancy 0.500 <= existing 0.500 in 1s1pA Skipped atom 2268, because occupancy 0.500 <= existing 0.500 in 1s1pA # T0325 read from 1s1pA/merged-good-all-a2m # 1s1pA read from 1s1pA/merged-good-all-a2m # adding 1s1pA to template set # found chain 1s1pA in template set T0325 4 :KKLIINADDFGYTPAVTQGIIEAHKRGV 1s1pA 46 :FRHIDSAHLYNNEEQVGLAIRSKIADGS T0325 32 :VTSTTALP 1s1pA 79 :IFYTSKLW T0325 40 :TSPYFLEAMESARI 1s1pA 91 :RPELVRPALENSLK T0325 54 :SAPT 1s1pA 107 :QLDY T0325 60 :IGVHLT 1s1pA 111 :VDLYLI T0325 67 :T 1s1pA 117 :H T0325 70 :QAKPI 1s1pA 118 :SPMSL T0325 76 :PREMVPSLVDEAGYFWH 1s1pA 123 :KPGEELSPTDENGKVIF T0325 98 :EKVNLEEVYNEW 1s1pA 140 :DIVDLCTTWEAM T0325 110 :DAQIISFMKS 1s1pA 170 :RRQLEMILNK T0325 120 :GRRPD 1s1pA 181 :GLKYK T0325 125 :HIDSHHNVH 1s1pA 190 :QVECHPYFN T0325 139 :LLGV 1s1pA 199 :RSKL T0325 144 :LALARKYQLPLRNASRSIETKDYLELYQDVRTPDEM 1s1pA 203 :LDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLED T0325 191 :ETILQLLDMVVCS 1s1pA 239 :PVLCALAKKHKRT T0325 204 :EGEVFEINC 1s1pA 262 :QRGVVVLAK T0325 215 :AFIDTILQNQSGY 1s1pA 271 :SYNEQRIRQNVQV T0325 240 :SQEVKEAIEER 1s1pA 289 :TAEDMKAIDGL Number of specific fragments extracted= 18 number of extra gaps= 0 total=428 Number of alignments=31 # 1s1pA read from 1s1pA/merged-good-all-a2m # found chain 1s1pA in template set T0325 4 :KKLIINADDFGYTPAVTQGIIEAHKRGV 1s1pA 46 :FRHIDSAHLYNNEEQVGLAIRSKIADGS T0325 32 :VTSTTALPT 1s1pA 79 :IFYTSKLWS T0325 41 :SPYFLEAMESAR 1s1pA 92 :PELVRPALENSL T0325 53 :ISAPTLAIGV 1s1pA 106 :AQLDYVDLYL T0325 66 :LT 1s1pA 116 :IH T0325 70 :QAKPILPREMVPS 1s1pA 118 :SPMSLKPGEELSP T0325 84 :VDEAGYFWHQ 1s1pA 131 :TDENGKVIFD T0325 99 :KVNLEEVYNEW 1s1pA 141 :IVDLCTTWEAM T0325 110 :DAQIISFMKS 1s1pA 170 :RRQLEMILNK T0325 120 :GRRPD 1s1pA 181 :GLKYK T0325 125 :HIDSHHNVH 1s1pA 190 :QVECHPYFN T0325 139 :LLG 1s1pA 199 :RSK T0325 143 :ALALARKYQLPLRNASRSIETKDYLELYQDVRTPDEM 1s1pA 202 :LLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLED T0325 191 :ETILQLLDMVVCS 1s1pA 239 :PVLCALAKKHKRT T0325 204 :EGEVFEINC 1s1pA 262 :QRGVVVLAK T0325 215 :AFIDTILQNQSGYC 1s1pA 271 :SYNEQRIRQNVQVF T0325 240 :SQEVKEAIEER 1s1pA 289 :TAEDMKAIDGL Number of specific fragments extracted= 17 number of extra gaps= 0 total=445 Number of alignments=32 # 1s1pA read from 1s1pA/merged-good-all-a2m # found chain 1s1pA in template set T0325 4 :KKLIINADDFGYTPAVTQGIIEAHKRGV 1s1pA 46 :FRHIDSAHLYNNEEQVGLAIRSKIADGS T0325 32 :VTSTTAL 1s1pA 79 :IFYTSKL T0325 39 :PTSPYFLEAMESARIS 1s1pA 90 :HRPELVRPALENSLKK T0325 56 :PTLA 1s1pA 106 :AQLD T0325 62 :VHLTLTLNQAKPILPREMVPSLVDEAG 1s1pA 111 :VDLYLIHSPMSLKPGEELSPTDENGKV T0325 90 :FWHQSIFE 1s1pA 146 :TTWEAMEK T0325 110 :DAQIISFMK 1s1pA 170 :RRQLEMILN T0325 119 :SGRRPD 1s1pA 180 :PGLKYK T0325 125 :HIDSHH 1s1pA 190 :QVECHP T0325 135 :K 1s1pA 196 :Y T0325 138 :KLLGVALALARKYQLPLRNASR 1s1pA 197 :FNRSKLLDFCKSKDIVLVAYSA T0325 166 :YLELYQDVRTPDEM 1s1pA 219 :LGSQRDKRWVDPNS T0325 185 :DKAISTETILQLLDMVVCSE 1s1pA 233 :PVLLEDPVLCALAKKHKRTP T0325 205 :GEVFEIN 1s1pA 263 :RGVVVLA T0325 214 :PAFIDTILQNQSGYCM 1s1pA 270 :KSYNEQRIRQNVQVFE T0325 239 :TSQEVKEAIEER 1s1pA 288 :LTAEDMKAIDGL Number of specific fragments extracted= 16 number of extra gaps= 0 total=461 Number of alignments=33 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1xmxA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1xmxA expands to /projects/compbio/data/pdb/1xmx.pdb.gz 1xmxA:# T0325 read from 1xmxA/merged-good-all-a2m # 1xmxA read from 1xmxA/merged-good-all-a2m # adding 1xmxA to template set # found chain 1xmxA in template set Warning: unaligning (T0325)Y184 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xmxA)D315 Warning: unaligning (T0325)D185 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xmxA)D315 T0325 2 :SNKKLIINADD 1xmxA 25 :VSRHIIFIGDH T0325 16 :TPAVTQGIIEAHKRG 1xmxA 37 :QTVIYQRLSDVLNKR T0325 57 :TLAIGV 1xmxA 52 :NISTDF T0325 70 :QAKPI 1xmxA 58 :FEIPA T0325 99 :KVNLEEVYNEWDAQIISFMKSGRRPDHIDSH 1xmxA 63 :GSNTSAIKSAIRELAETLKARGEEVKFNASC T0325 135 :KNKKLLGVALALARKYQLPLRNASRS 1xmxA 94 :GLRHRLLSAYEVFRSYHWPIFVVEPN T0325 171 :Q 1xmxA 310 :K T0325 182 :QF 1xmxA 311 :GM T0325 187 :AIS 1xmxA 316 :GDD T0325 190 :TETILQLLDMVVCSEGEVFEINCHP 1xmxA 320 :LYKLESLRDLLGGLQARAMLVSFRP T0325 239 :TSQEVKEAIEERGILLANYESLAM 1xmxA 345 :LRHNDITRAEDLGLALIGPDELKD Number of specific fragments extracted= 11 number of extra gaps= 1 total=472 Number of alignments=34 # 1xmxA read from 1xmxA/merged-good-all-a2m # found chain 1xmxA in template set Warning: unaligning (T0325)R174 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xmxA)D315 Warning: unaligning (T0325)Y184 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xmxA)D315 T0325 2 :SNKKLIINADD 1xmxA 25 :VSRHIIFIGDH T0325 16 :TPAVTQGIIEAHKRG 1xmxA 37 :QTVIYQRLSDVLNKR T0325 57 :TLAIGV 1xmxA 52 :NISTDF T0325 70 :QAKPIL 1xmxA 58 :FEIPAG T0325 100 :VNLEEVYNEWDAQIISFMKSGRRPDHIDSH 1xmxA 64 :SNTSAIKSAIRELAETLKARGEEVKFNASC T0325 135 :KNKKLLGVALALARKYQLPLRNASRS 1xmxA 94 :GLRHRLLSAYEVFRSYHWPIFVVEPN T0325 171 :QDV 1xmxA 310 :KGM T0325 186 :KAISTETILQLLDMVVCSEGEVFEINCHP 1xmxA 316 :GDDTLYKLESLRDLLGGLQARAMLVSFRP T0325 239 :TSQEVKEAIEERGILLANYESLAM 1xmxA 345 :LRHNDITRAEDLGLALIGPDELKD Number of specific fragments extracted= 9 number of extra gaps= 1 total=481 Number of alignments=35 # 1xmxA read from 1xmxA/merged-good-all-a2m # found chain 1xmxA in template set Warning: unaligning (T0325)I161 because of BadResidue code BAD_PEPTIDE in next template residue (1xmxA)D121 Warning: unaligning (T0325)P176 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xmxA)D315 Warning: unaligning (T0325)D177 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xmxA)D315 T0325 2 :SNKKLIINAD 1xmxA 25 :VSRHIIFIGD T0325 17 :PAVTQGIIEAHKRGVVTSTTA 1xmxA 38 :TVIYQRLSDVLNKRNISTDFF T0325 72 :KPIL 1xmxA 59 :EIPA T0325 99 :KVNLEEVYNEWDAQIISFMKSGRRPDHIDS 1xmxA 63 :GSNTSAIKSAIRELAETLKARGEEVKFNAS T0325 133 :HGK 1xmxA 93 :CGL T0325 137 :KKLLGVALALARKYQLPLRNASRS 1xmxA 96 :RHRLLSAYEVFRSYHWPIFVVEPN T0325 171 :QDVRT 1xmxA 308 :KTKGM T0325 179 :ML 1xmxA 316 :GD T0325 188 :ISTETILQLLDMVVCSEGEVFEINCHP 1xmxA 318 :DTLYKLESLRDLLGGLQARAMLVSFRP T0325 239 :TSQEVKEAIEERGILLANYESLAM 1xmxA 345 :LRHNDITRAEDLGLALIGPDELKD Number of specific fragments extracted= 10 number of extra gaps= 2 total=491 Number of alignments=36 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2c1gA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2c1gA expands to /projects/compbio/data/pdb/2c1g.pdb.gz 2c1gA:# T0325 read from 2c1gA/merged-good-all-a2m # 2c1gA read from 2c1gA/merged-good-all-a2m # adding 2c1gA to template set # found chain 2c1gA in template set T0325 2 :SNKKLIINADD 2c1gA 266 :HQKVVALTFDD T0325 14 :GYTPAVTQGIIEAHKRGVVTSTTALP 2c1gA 277 :GPNPATTPQVLETLAKYDIKATFFVL T0325 40 :TSPYFLEAMESARI 2c1gA 305 :NVSGNEDLVKRIKS T0325 56 :PTLAIGVH 2c1gA 319 :EGHVVGNH T0325 67 :T 2c1gA 327 :S T0325 70 :QAKPIL 2c1gA 328 :WSHPIL T0325 98 :EKVNLEEVYNEWDAQIISFMKS 2c1gA 334 :SQLSLDEAKKQITDTEDVLTKV T0325 120 :GRRPDHIDS 2c1gA 357 :GSSSKLMRP T0325 135 :KNKKLLG 2c1gA 366 :PYGAITD T0325 145 :ALARKYQLPLRNA 2c1gA 373 :DIRNSLDLSFIMW T0325 172 :DVRTPDEML 2c1gA 386 :DVDSLDWKS T0325 188 :ISTETILQLLDM 2c1gA 395 :KNEASILTEIQH T0325 203 :SEGEVFEINCHP 2c1gA 407 :QVANGSIVLMHD T0325 227 :YCMPRIREV 2c1gA 419 :IHSPTVNAL T0325 241 :QEVKEAIEERGILLA 2c1gA 428 :PRVIEYLKNQGYTFV Number of specific fragments extracted= 15 number of extra gaps= 0 total=506 Number of alignments=37 # 2c1gA read from 2c1gA/merged-good-all-a2m # found chain 2c1gA in template set T0325 3 :NKKLIINADD 2c1gA 267 :QKVVALTFDD T0325 14 :GYTPAVTQGIIEAHKRGVVTSTTALPT 2c1gA 277 :GPNPATTPQVLETLAKYDIKATFFVLG T0325 41 :SPYFLEAMESARI 2c1gA 306 :VSGNEDLVKRIKS T0325 56 :PTLAIGVH 2c1gA 319 :EGHVVGNH T0325 67 :T 2c1gA 327 :S T0325 70 :QAKPILP 2c1gA 328 :WSHPILS T0325 99 :KVNLEEVYNEWDAQIISFMKS 2c1gA 335 :QLSLDEAKKQITDTEDVLTKV T0325 120 :GRRPDHIDS 2c1gA 357 :GSSSKLMRP T0325 131 :NVHGKNKKLLG 2c1gA 366 :PYGAITDDIRN T0325 149 :KYQLPLRNAS 2c1gA 377 :SLDLSFIMWD T0325 173 :VRTPDEM 2c1gA 387 :VDSLDWK T0325 187 :AISTETILQLLD 2c1gA 394 :SKNEASILTEIQ T0325 201 :VCSEGEVF 2c1gA 406 :HQVANGSI T0325 210 :INCHP 2c1gA 414 :VLMHD T0325 227 :YCMPRIREV 2c1gA 419 :IHSPTVNAL T0325 241 :QEVKEAIEERGILLAN 2c1gA 428 :PRVIEYLKNQGYTFVT Number of specific fragments extracted= 16 number of extra gaps= 0 total=522 Number of alignments=38 # 2c1gA read from 2c1gA/merged-good-all-a2m # found chain 2c1gA in template set T0325 2 :SNKKLIINADD 2c1gA 266 :HQKVVALTFDD T0325 14 :GYTPAVTQGIIEAHKRGVVTSTTALP 2c1gA 277 :GPNPATTPQVLETLAKYDIKATFFVL T0325 40 :TSPYFLEAMESARI 2c1gA 305 :NVSGNEDLVKRIKS T0325 56 :PTLAIGVH 2c1gA 319 :EGHVVGNH T0325 67 :TLNQAKP 2c1gA 327 :SWSHPIL T0325 98 :EKVNLEEVYNEWDAQIISFMK 2c1gA 334 :SQLSLDEAKKQITDTEDVLTK T0325 119 :SGRRPDHI 2c1gA 356 :LGSSSKLM T0325 132 :VHGK 2c1gA 364 :RPPY T0325 137 :KKLLGVALA 2c1gA 368 :GAITDDIRN T0325 149 :KYQLPLRNASRSI 2c1gA 377 :SLDLSFIMWDVDS T0325 186 :KAISTETILQLLDMVVCSEGEVFEINCHP 2c1gA 390 :LDWKSKNEASILTEIQHQVANGSIVLMHD T0325 227 :YCMP 2c1gA 419 :IHSP T0325 234 :EVEIL 2c1gA 423 :TVNAL T0325 241 :QEVKEAIEERGILLANY 2c1gA 428 :PRVIEYLKNQGYTFVTI Number of specific fragments extracted= 14 number of extra gaps= 0 total=536 Number of alignments=39 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1r85A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0325 read from 1r85A/merged-good-all-a2m # 1r85A read from 1r85A/merged-good-all-a2m # found chain 1r85A in training set Warning: unaligning (T0325)H63 because of BadResidue code BAD_PEPTIDE in next template residue (1r85A)T96 Warning: unaligning (T0325)L64 because of BadResidue code BAD_PEPTIDE at template residue (1r85A)T96 Warning: unaligning (T0325)L75 because of BadResidue code BAD_PEPTIDE in next template residue (1r85A)P104 Warning: unaligning (T0325)P76 because of BadResidue code BAD_PEPTIDE at template residue (1r85A)P104 Warning: unaligning (T0325)D198 because of BadResidue code BAD_PEPTIDE in next template residue (1r85A)M253 Warning: unaligning (T0325)M199 because of BadResidue code BAD_PEPTIDE at template residue (1r85A)M253 Warning: unaligning (T0325)E209 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1r85A)T264 Warning: unaligning (T0325)I210 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1r85A)T264 T0325 4 :KKLIINADDFGYTPAVTQGIIE 1r85A 28 :FTIGAAVEPYQLQNEKDVQMLK T0325 29 :RG 1r85A 50 :RH T0325 32 :VTSTTA 1r85A 52 :FNSIVA T0325 39 :PTSPYFLEAMESARI 1r85A 73 :FNFEQADRIVKFAKA T0325 55 :A 1r85A 88 :N T0325 57 :TLAIGV 1r85A 89 :GMDIRF T0325 65 :TLTLNQ 1r85A 97 :LVWHSQ T0325 77 :REM 1r85A 105 :QWF T0325 83 :LVDEAGYFWH 1r85A 108 :FLDKEGKPMV T0325 97 :EEKVNLEEVYNEWDAQIISFMKS 1r85A 124 :KREQNKQLLLKRLETHIKTIVER T0325 120 :GRRPDHIDSHHNVHG 1r85A 148 :KDDIKYWDVVNEVVG T0325 139 :LLGVALALARKY 1r85A 180 :YIKVAFQAARKY T0325 151 :QLPLRNASRSIETKDYLELY 1r85A 195 :NIKLYMNDYNTEVEPKRTAL T0325 171 :QDVRT 1r85A 224 :EGVPI T0325 180 :LYQFYDKAISTETILQLL 1r85A 234 :QSHIQIGWPSEAEIEKTI T0325 200 :VVCSEGEVF 1r85A 254 :FAALGLDNQ T0325 211 :NCHPAFID 1r85A 265 :ELDVSMYG T0325 220 :ILQNQSGYCMPR 1r85A 277 :AYPTYDAIPKQK T0325 232 :IREVEILT 1r85A 290 :LDQAARYD T0325 242 :EVKEAIEER 1r85A 298 :RLFKLYEKL Number of specific fragments extracted= 20 number of extra gaps= 4 total=556 Number of alignments=40 # 1r85A read from 1r85A/merged-good-all-a2m # found chain 1r85A in training set Warning: unaligning (T0325)H63 because of BadResidue code BAD_PEPTIDE in next template residue (1r85A)T96 Warning: unaligning (T0325)L64 because of BadResidue code BAD_PEPTIDE at template residue (1r85A)T96 Warning: unaligning (T0325)L75 because of BadResidue code BAD_PEPTIDE in next template residue (1r85A)P104 Warning: unaligning (T0325)P76 because of BadResidue code BAD_PEPTIDE at template residue (1r85A)P104 Warning: unaligning (T0325)D198 because of BadResidue code BAD_PEPTIDE in next template residue (1r85A)M253 Warning: unaligning (T0325)M199 because of BadResidue code BAD_PEPTIDE at template residue (1r85A)M253 Warning: unaligning (T0325)E209 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1r85A)T264 Warning: unaligning (T0325)I210 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1r85A)T264 T0325 4 :KKLIINADDFGYTPAVTQG 1r85A 28 :FTIGAAVEPYQLQNEKDVQ T0325 26 :AHKRG 1r85A 47 :MLKRH T0325 32 :VTSTTA 1r85A 52 :FNSIVA T0325 39 :PTSPYFLEAMESARI 1r85A 73 :FNFEQADRIVKFAKA T0325 56 :PTLAIGV 1r85A 88 :NGMDIRF T0325 65 :TLTLNQ 1r85A 97 :LVWHSQ T0325 77 :REM 1r85A 105 :QWF T0325 83 :LVDEAGYFWHQSI 1r85A 108 :FLDKEGKPMVNET T0325 96 :FEEKVNLEEVYNEWDAQIISFMKS 1r85A 123 :VKREQNKQLLLKRLETHIKTIVER T0325 120 :GRRPDHIDSHHNVHG 1r85A 148 :KDDIKYWDVVNEVVG T0325 139 :LLGVALALARKY 1r85A 180 :YIKVAFQAARKY T0325 151 :QLPLRNASRSIETKDYLELY 1r85A 195 :NIKLYMNDYNTEVEPKRTAL T0325 171 :QDVRTP 1r85A 224 :EGVPID T0325 180 :LYQFYDKAISTETILQLL 1r85A 234 :QSHIQIGWPSEAEIEKTI T0325 200 :VVCSEGEVF 1r85A 254 :FAALGLDNQ T0325 211 :NCHPAFID 1r85A 265 :ELDVSMYG T0325 220 :ILQNQSGYCMPRIREVEILTS 1r85A 277 :AYPTYDAIPKQKFLDQAARYD T0325 242 :EVKEAIEER 1r85A 298 :RLFKLYEKL Number of specific fragments extracted= 18 number of extra gaps= 4 total=574 Number of alignments=41 # 1r85A read from 1r85A/merged-good-all-a2m # found chain 1r85A in training set Warning: unaligning (T0325)H63 because of BadResidue code BAD_PEPTIDE in next template residue (1r85A)T96 Warning: unaligning (T0325)L64 because of BadResidue code BAD_PEPTIDE at template residue (1r85A)T96 Warning: unaligning (T0325)A71 because of BadResidue code BAD_PEPTIDE in next template residue (1r85A)P104 Warning: unaligning (T0325)K72 because of BadResidue code BAD_PEPTIDE at template residue (1r85A)P104 Warning: unaligning (T0325)D198 because of BadResidue code BAD_PEPTIDE in next template residue (1r85A)M253 Warning: unaligning (T0325)M199 because of BadResidue code BAD_PEPTIDE at template residue (1r85A)M253 Warning: unaligning (T0325)E209 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1r85A)T264 Warning: unaligning (T0325)I210 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1r85A)T264 T0325 4 :KKLIINADDFGY 1r85A 28 :FTIGAAVEPYQL T0325 16 :TPAVTQGI 1r85A 41 :NEKDVQML T0325 28 :KRGV 1r85A 49 :KRHF T0325 33 :TSTTA 1r85A 53 :NSIVA T0325 39 :PTSPYFLEAMESARI 1r85A 73 :FNFEQADRIVKFAKA T0325 56 :PTLAIGV 1r85A 88 :NGMDIRF T0325 65 :TLTLNQ 1r85A 97 :LVWHSQ T0325 73 :PIL 1r85A 105 :QWF T0325 81 :PSLVDEAG 1r85A 108 :FLDKEGKP T0325 90 :FWHQSI 1r85A 123 :VKREQN T0325 102 :LEEVYNEWDAQIISFMK 1r85A 129 :KQLLLKRLETHIKTIVE T0325 119 :SGRRPDHIDSHHNVHGKNKK 1r85A 147 :YKDDIKYWDVVNEVVGDDGK T0325 139 :LLGVALALARKY 1r85A 180 :YIKVAFQAARKY T0325 151 :QLPLRNASRSIETKDYLEL 1r85A 195 :NIKLYMNDYNTEVEPKRTA T0325 180 :LYQFYDKAISTETILQLL 1r85A 234 :QSHIQIGWPSEAEIEKTI T0325 200 :VVCSEGEVF 1r85A 254 :FAALGLDNQ T0325 211 :NCHPAFIDTILQ 1r85A 265 :ELDVSMYGWPPR T0325 223 :NQSGYCMPRIREVE 1r85A 280 :TYDAIPKQKFLDQA T0325 245 :EAIEE 1r85A 294 :ARYDR Number of specific fragments extracted= 19 number of extra gaps= 4 total=593 Number of alignments=42 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1wqaA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1wqaA expands to /projects/compbio/data/pdb/1wqa.pdb.gz 1wqaA:# T0325 read from 1wqaA/merged-good-all-a2m # 1wqaA read from 1wqaA/merged-good-all-a2m # adding 1wqaA to template set # found chain 1wqaA in template set T0325 2 :SNKKLIINADDFGYTPAVTQGIIEAHKRGVVTSTTA 1wqaA 40 :KKPLVVVGRDTRVSGEMLKEALISGLLSVGCDVIDV T0325 38 :LPTSPYFLEAME 1wqaA 77 :IAPTPAVQWATK T0325 55 :APTLAIGV 1wqaA 89 :HFNADGGA T0325 65 :TLT 1wqaA 97 :VIT T0325 72 :KPILPREMVP 1wqaA 100 :ASHNPPEYNG T0325 82 :SLVDEAGYFWH 1wqaA 111 :KLLEPNGMGLK T0325 93 :QSIFEEKVNLEEVYNE 1wqaA 158 :IEAIKSKVDVEAIKKR T0325 122 :RPD 1wqaA 174 :KPF T0325 125 :HIDSHHNVHGKN 1wqaA 178 :VVDTSNGAGSLT T0325 143 :ALALARKYQLPLRNASRSIETKDYLELY 1wqaA 190 :LPYLLRELGCKVITVNAQPDGYFPARNP T0325 171 :QDVRTPDEMLY 1wqaA 254 :ENGRFIQGDKT T0325 193 :ILQLLDMVVCSEGE 1wqaA 265 :FALVADAVLKEKGG T0325 208 :FEINCHPAFID 1wqaA 279 :GLLVTTVATSN T0325 220 :I 1wqaA 290 :L T0325 243 :VKEAIEERGILLANYE 1wqaA 291 :LDDIAKKHGAKVMRTK Number of specific fragments extracted= 15 number of extra gaps= 0 total=608 Number of alignments=43 # 1wqaA read from 1wqaA/merged-good-all-a2m # found chain 1wqaA in template set T0325 2 :SNKKLIINADDFGYTPAVTQGIIEAHKRGVVTSTTA 1wqaA 40 :KKPLVVVGRDTRVSGEMLKEALISGLLSVGCDVIDV T0325 38 :LPTSPYFLEAME 1wqaA 77 :IAPTPAVQWATK T0325 55 :APTLAIGV 1wqaA 89 :HFNADGGA T0325 65 :TLTL 1wqaA 97 :VITA T0325 73 :PILPREM 1wqaA 101 :SHNPPEY T0325 83 :LVDEAGYFWHQSI 1wqaA 112 :LLEPNGMGLKKER T0325 96 :FEEKVNLEEVYNE 1wqaA 161 :IKSKVDVEAIKKR T0325 122 :RPD 1wqaA 174 :KPF T0325 125 :HIDSHHNVHGKN 1wqaA 178 :VVDTSNGAGSLT T0325 143 :ALALARKYQLPLRNASRSIETK 1wqaA 190 :LPYLLRELGCKVITVNAQPDGY T0325 173 :VRT 1wqaA 212 :FPA T0325 184 :YDKAISTETILQLLDMVVCSEGEVF 1wqaA 215 :RNPEPNEENLKEFMEIVKALGADFG T0325 210 :INCHPAFID 1wqaA 240 :VAQDGDADR T0325 223 :NQSGYCMPRIREVEILT 1wqaA 253 :DENGRFIQGDKTFALVA T0325 243 :VKEAIEERGILLANYE 1wqaA 291 :LDDIAKKHGAKVMRTK Number of specific fragments extracted= 15 number of extra gaps= 0 total=623 Number of alignments=44 # 1wqaA read from 1wqaA/merged-good-all-a2m # found chain 1wqaA in template set T0325 2 :SNKKLIINADDFGYTPAVTQGIIEAHKRGVVTSTTA 1wqaA 40 :KKPLVVVGRDTRVSGEMLKEALISGLLSVGCDVIDV T0325 38 :LPTSPYFLEAME 1wqaA 77 :IAPTPAVQWATK T0325 55 :APTLAIGVHLTLTLNQ 1wqaA 89 :HFNADGGAVITASHNP T0325 71 :AKPILPREM 1wqaA 138 :DRAKWYEIG T0325 89 :YFWHQSIFEEKVNLEEVYNE 1wqaA 154 :IKPYIEAIKSKVDVEAIKKR T0325 122 :RPD 1wqaA 174 :KPF T0325 125 :HIDSHHNVHGKN 1wqaA 178 :VVDTSNGAGSLT T0325 143 :ALALARKYQLPLRNASRSIETKDYLEL 1wqaA 190 :LPYLLRELGCKVITVNAQPDGYFPARN T0325 179 :MLYQ 1wqaA 257 :RFIQ T0325 188 :ISTETILQLLDMVVCSEGEVFEIN 1wqaA 261 :GDKTFALVADAVLKEKGGGLLVTT T0325 214 :PAF 1wqaA 285 :VAT T0325 218 :DTI 1wqaA 288 :SNL T0325 243 :VKEAIEERGILLANY 1wqaA 291 :LDDIAKKHGAKVMRT Number of specific fragments extracted= 13 number of extra gaps= 0 total=636 Number of alignments=45 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2c1iA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2c1iA expands to /projects/compbio/data/pdb/2c1i.pdb.gz 2c1iA:# T0325 read from 2c1iA/merged-good-all-a2m # 2c1iA read from 2c1iA/merged-good-all-a2m # adding 2c1iA to template set # found chain 2c1iA in template set Warning: unaligning (T0325)D11 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2c1iA)D276 Warning: unaligning (T0325)D12 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2c1iA)D276 T0325 2 :SNKKLIINA 2c1iA 266 :HQKVVALTF T0325 14 :GYTPAVTQGIIEAHKRGVVTSTTALP 2c1iA 277 :GPNPATTPQVLETLAKYDIKATFFVL T0325 40 :TSPYFLEAMESAR 2c1iA 305 :NVSGNEDLVKRIK T0325 54 :SA 2c1iA 318 :SE T0325 57 :TLAIGVH 2c1iA 320 :GHVVGNH T0325 67 :T 2c1iA 327 :S T0325 70 :QAKPIL 2c1iA 328 :WSHPIL T0325 98 :EKVNLEEVYNEWDAQIISFMKS 2c1iA 334 :SQLSLDEAKKQITDTEDVLTKV T0325 120 :GRRPDHIDS 2c1iA 357 :GSSSKLMRP T0325 135 :KNKKLLGVALA 2c1iA 366 :PYGAITDDIRN T0325 151 :QLPLRNASR 2c1iA 377 :SLDLSFIMW T0325 172 :DVRTPDEML 2c1iA 386 :DVDSLDWKS T0325 188 :ISTETILQLLDMV 2c1iA 395 :KNEASILTEIQHQ T0325 203 :SEGEVF 2c1iA 408 :VANGSI T0325 210 :INCHP 2c1iA 414 :VLMHD T0325 227 :YCMPRIREV 2c1iA 419 :IHSPTVNAL T0325 241 :QEVKEAIEERGILLAN 2c1iA 428 :PRVIEYLKNQGYTFVT Number of specific fragments extracted= 17 number of extra gaps= 1 total=653 Number of alignments=46 # 2c1iA read from 2c1iA/merged-good-all-a2m # found chain 2c1iA in template set Warning: unaligning (T0325)D11 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2c1iA)D276 Warning: unaligning (T0325)D12 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2c1iA)D276 T0325 3 :NKKLIINA 2c1iA 267 :QKVVALTF T0325 14 :GYTPAVTQGIIEAHKRGVVTSTTALPT 2c1iA 277 :GPNPATTPQVLETLAKYDIKATFFVLG T0325 41 :SPYFLEAMESARI 2c1iA 306 :VSGNEDLVKRIKS T0325 56 :PTLAIGVH 2c1iA 319 :EGHVVGNH T0325 67 :T 2c1iA 327 :S T0325 70 :QAKPILPR 2c1iA 328 :WSHPILSQ T0325 100 :VNLEEVYNEWDAQIISFMKS 2c1iA 336 :LSLDEAKKQITDTEDVLTKV T0325 120 :GRRPDHIDS 2c1iA 357 :GSSSKLMRP T0325 131 :NVHGKNKKLLG 2c1iA 366 :PYGAITDDIRN T0325 151 :QLPLRNASRS 2c1iA 377 :SLDLSFIMWD T0325 173 :VRTPDEM 2c1iA 387 :VDSLDWK T0325 187 :AISTETILQLLD 2c1iA 394 :SKNEASILTEIQ T0325 201 :VCSEGEVF 2c1iA 406 :HQVANGSI T0325 210 :INCHP 2c1iA 414 :VLMHD T0325 227 :YCMPRIREV 2c1iA 419 :IHSPTVNAL T0325 241 :QEVKEAIEERGILLAN 2c1iA 428 :PRVIEYLKNQGYTFVT Number of specific fragments extracted= 16 number of extra gaps= 1 total=669 Number of alignments=47 # 2c1iA read from 2c1iA/merged-good-all-a2m # found chain 2c1iA in template set Warning: unaligning (T0325)D11 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2c1iA)D276 Warning: unaligning (T0325)D12 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2c1iA)D276 T0325 3 :NKKLIINA 2c1iA 267 :QKVVALTF T0325 14 :GYTPAVTQGIIEAHKRGVVTSTTALP 2c1iA 277 :GPNPATTPQVLETLAKYDIKATFFVL T0325 40 :TSPYFLEAMESARI 2c1iA 305 :NVSGNEDLVKRIKS T0325 56 :PTLAIGVH 2c1iA 319 :EGHVVGNH T0325 67 :TLNQAKP 2c1iA 327 :SWSHPIL T0325 98 :EKVNLEEVYNEWDAQIISFMK 2c1iA 334 :SQLSLDEAKKQITDTEDVLTK T0325 119 :SGRRPDHID 2c1iA 356 :LGSSSKLMR T0325 133 :HGK 2c1iA 365 :PPY T0325 137 :KKLLGVALA 2c1iA 368 :GAITDDIRN T0325 151 :QLPLRNASRSIET 2c1iA 377 :SLDLSFIMWDVDS T0325 183 :FYDKAISTETILQLLD 2c1iA 390 :LDWKSKNEASILTEIQ T0325 201 :VCSEGEVFEIN 2c1iA 406 :HQVANGSIVLM T0325 213 :H 2c1iA 417 :H T0325 226 :GYCMPRI 2c1iA 418 :DIHSPTV T0325 236 :EIL 2c1iA 425 :NAL T0325 241 :QEVKEAIEERGILLANY 2c1iA 428 :PRVIEYLKNQGYTFVTI Number of specific fragments extracted= 16 number of extra gaps= 1 total=685 Number of alignments=48 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1i8jA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1i8jA expands to /projects/compbio/data/pdb/1i8j.pdb.gz 1i8jA:# T0325 read from 1i8jA/merged-good-all-a2m # 1i8jA read from 1i8jA/merged-good-all-a2m # adding 1i8jA to template set # found chain 1i8jA in template set T0325 17 :PAVTQGIIEAHKRGVVTSTTALPTSP 1i8jA 58 :KHLAREIERIANAGIRSVMTFGISHH T0325 43 :YFLEAMESARISAPTLAIGVHLTLT 1i8jA 97 :LVARMSRICKQTVPEMIVMSDTCFC T0325 82 :SLV 1i8jA 122 :EYT T0325 86 :EAGYFWH 1i8jA 125 :SHGHCGV T0325 95 :IFEEKVNLEEVYNEWDAQIISFMKSG 1i8jA 132 :LCEHGVDNDATLENLGKQAVVAAAAG T0325 123 :PDHIDSHH 1i8jA 158 :ADFIAPSA T0325 135 :KNKKLLGVALALARKYQL 1i8jA 166 :AMDGQVQAIRQALDAAGF T0325 153 :PLRN 1i8jA 187 :AIMS T0325 157 :ASRSIETKDYLELYQDVRTPDEMLYQFYDKA 1i8jA 193 :TKFASSFYGPFREAAGSALKGDRKSYQMNPM T0325 189 :STETILQLLDMVVCSEGEVFEIN 1i8jA 224 :NRREAIRESLLDEAQGADCLMVK T0325 213 :HPAF 1i8jA 247 :PAGA T0325 217 :ID 1i8jA 252 :LD T0325 219 :TILQNQS 1i8jA 257 :ELRERTE T0325 226 :GYCMPRIREVEILTS 1i8jA 285 :GAIDEEKVVLESLGS T0325 247 :IEERGILLA 1i8jA 300 :IKRAGADLI Number of specific fragments extracted= 15 number of extra gaps= 0 total=700 Number of alignments=49 # 1i8jA read from 1i8jA/merged-good-all-a2m # found chain 1i8jA in template set T0325 17 :PAVTQGIIEAHKRGVVTSTTALPTSP 1i8jA 58 :KHLAREIERIANAGIRSVMTFGISHH T0325 43 :YFLEAMESARISAPTLAIGVHLTLT 1i8jA 97 :LVARMSRICKQTVPEMIVMSDTCFC T0325 73 :PIL 1i8jA 122 :EYT T0325 86 :EAGYFWHQ 1i8jA 125 :SHGHCGVL T0325 96 :FEEKVNLEEVYNEWDAQIISFMKSG 1i8jA 133 :CEHGVDNDATLENLGKQAVVAAAAG T0325 123 :PDHIDSHH 1i8jA 158 :ADFIAPSA T0325 135 :KNKKLLGVALALARKYQLPLRNA 1i8jA 166 :AMDGQVQAIRQALDAAGFKDTAI T0325 158 :SRSIETKDYLELYQDVRTPDEMLYQFYDKA 1i8jA 194 :KFASSFYGPFREAAGSALKGDRKSYQMNPM T0325 189 :STETILQLLDMVVCSEGEVF 1i8jA 224 :NRREAIRESLLDEAQGADCL T0325 210 :INCHPAFIDTILQNQSGYCM 1i8jA 244 :MVKPAGAYLDIVRELRERTE T0325 232 :IREVEILT 1i8jA 272 :SGEYAMIK T0325 240 :SQEVKEAIEE 1i8jA 290 :EKVVLESLGS T0325 250 :RGILLA 1i8jA 303 :AGADLI Number of specific fragments extracted= 13 number of extra gaps= 0 total=713 Number of alignments=50 # 1i8jA read from 1i8jA/merged-good-all-a2m # found chain 1i8jA in template set T0325 17 :PAVTQGIIEAHKRGVVTSTTALPTSP 1i8jA 58 :KHLAREIERIANAGIRSVMTFGISHH T0325 43 :YFLEAMESARISAPTLAIGVHLTLTLNQA 1i8jA 97 :LVARMSRICKQTVPEMIVMSDTCFCEYTS T0325 76 :PREMVPSLV 1i8jA 126 :HGHCGVLCE T0325 98 :EKVNLEEVYNEWDAQIISFMKSG 1i8jA 135 :HGVDNDATLENLGKQAVVAAAAG T0325 123 :PDHIDSHHN 1i8jA 158 :ADFIAPSAA T0325 136 :NKKLLGVALALARKYQLPLRNAS 1i8jA 167 :MDGQVQAIRQALDAAGFKDTAIM T0325 159 :RSIETKDYLELYQDVRTPDEM 1i8jA 195 :FASSFYGPFREAAGSALKGDR T0325 181 :YQFYDKAISTETILQLLDMVVCSEGEVFEINCHPAFID 1i8jA 216 :KSYQMNPMNRREAIRESLLDEAQGADCLMVKPAGAYLD T0325 232 :IREVEILT 1i8jA 272 :SGEYAMIK T0325 240 :SQEVKEAIEE 1i8jA 290 :EKVVLESLGS T0325 250 :RGILLA 1i8jA 303 :AGADLI Number of specific fragments extracted= 11 number of extra gaps= 0 total=724 Number of alignments=51 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1pe1A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0325 read from 1pe1A/merged-good-all-a2m # 1pe1A read from 1pe1A/merged-good-all-a2m # found chain 1pe1A in training set Warning: unaligning (T0325)S2 because first residue in template chain is (1pe1A)M1001 Warning: unaligning (T0325)Y184 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1pe1A)G1198 T0325 3 :NKKLIINADDFGYTPAVTQGI 1pe1A 1002 :EKFLVIAGPCAIESEELLLKV T0325 44 :FLEAMESAR 1pe1A 1023 :GEEIKRLSE T0325 54 :SAPTLAIGV 1pe1A 1032 :KFKEVEFVF T0325 65 :TLT 1pe1A 1041 :KSS T0325 70 :QAKPILPREMVPSLV 1pe1A 1044 :FDKANRSSIHSFRGH T0325 101 :NLEEVYNEWD 1pe1A 1059 :GLEYGVKALR T0325 115 :SFMK 1pe1A 1069 :KVKE T0325 119 :SGRRP 1pe1A 1074 :FGLKI T0325 125 :HIDSHHNV 1pe1A 1079 :TTDIHESW T0325 135 :KNKKLL 1pe1A 1087 :QAEPVA T0325 141 :GVALALA 1pe1A 1109 :DLLLAAA T0325 149 :KYQLPLR 1pe1A 1116 :KTGRAVN T0325 156 :NASRSIETKDYLELY 1pe1A 1124 :KKGQFLAPWDTKNVV T0325 171 :QDVRT 1pe1A 1175 :QWAKV T0325 176 :PDEMLYQF 1pe1A 1183 :ATHSVQLP T0325 188 :ISTETILQLLDMVVCSEGEVFEINCHP 1pe1A 1199 :GMREFIFPLIRAAVAVGCDGVFMETHP T0325 215 :AFID 1pe1A 1230 :ALSD T0325 226 :GY 1pe1A 1241 :SQ T0325 231 :RIREVE 1pe1A 1243 :LEGIIE T0325 242 :EVKEAIEE 1pe1A 1249 :AILEIREV Number of specific fragments extracted= 20 number of extra gaps= 1 total=744 Number of alignments=52 # 1pe1A read from 1pe1A/merged-good-all-a2m # found chain 1pe1A in training set Warning: unaligning (T0325)S2 because first residue in template chain is (1pe1A)M1001 T0325 3 :NKKLIINADDFGYTPAVTQGI 1pe1A 1002 :EKFLVIAGPCAIESEELLLKV T0325 44 :FLEAMESAR 1pe1A 1023 :GEEIKRLSE T0325 54 :SAPTLAIGV 1pe1A 1032 :KFKEVEFVF T0325 65 :TLT 1pe1A 1041 :KSS T0325 70 :QAKPILPREMV 1pe1A 1044 :FDKANRSSIHS T0325 97 :EEKVNLEEVYNEWD 1pe1A 1055 :FRGHGLEYGVKALR T0325 115 :SFMK 1pe1A 1069 :KVKE T0325 119 :SGRRP 1pe1A 1074 :FGLKI T0325 125 :HIDSHHNVH 1pe1A 1079 :TTDIHESWQ T0325 136 :NKKLL 1pe1A 1088 :AEPVA T0325 141 :GVALALA 1pe1A 1109 :DLLLAAA T0325 149 :KYQLPL 1pe1A 1116 :KTGRAV T0325 155 :RNASRSIETKDYLELY 1pe1A 1123 :VKKGQFLAPWDTKNVV T0325 178 :EMLYQ 1pe1A 1185 :HSVQL T0325 188 :ISTETILQLLDMVVCSEGEVFEINCHPAF 1pe1A 1199 :GMREFIFPLIRAAVAVGCDGVFMETHPEP T0325 219 :TILQNQSGYC 1pe1A 1228 :EKALSDASTQ T0325 230 :PRIREVE 1pe1A 1242 :QLEGIIE T0325 242 :EVKEAIEE 1pe1A 1249 :AILEIREV Number of specific fragments extracted= 18 number of extra gaps= 0 total=762 Number of alignments=53 # 1pe1A read from 1pe1A/merged-good-all-a2m # found chain 1pe1A in training set Warning: unaligning (T0325)S2 because first residue in template chain is (1pe1A)M1001 Warning: unaligning (T0325)P176 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1pe1A)G1198 Warning: unaligning (T0325)D177 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1pe1A)G1198 T0325 3 :NKKLIINA 1pe1A 1002 :EKFLVIAG T0325 35 :TTALPTSPYFLEAMESARI 1pe1A 1010 :PCAIESEELLLKVGEEIKR T0325 54 :SAPTLAI 1pe1A 1032 :KFKEVEF T0325 65 :TLTLNQAKPILPR 1pe1A 1039 :VFKSSFDKANRSS T0325 85 :DEAGYF 1pe1A 1052 :IHSFRG T0325 100 :VNLEEVYNEWD 1pe1A 1058 :HGLEYGVKALR T0325 115 :SFMK 1pe1A 1069 :KVKE T0325 119 :SGRRP 1pe1A 1074 :FGLKI T0325 125 :HIDSH 1pe1A 1079 :TTDIH T0325 130 :HNVHGK 1pe1A 1099 :QIPAFL T0325 137 :KKLLGVALA 1pe1A 1105 :CRQTDLLLA T0325 147 :ARKYQLPLR 1pe1A 1114 :AAKTGRAVN T0325 156 :NASRSIETKDYLE 1pe1A 1124 :KKGQFLAPWDTKN T0325 170 :YQDVRT 1pe1A 1185 :HSVQLP T0325 188 :ISTETILQLLDMVVCSEGEVFEINCHPAFI 1pe1A 1199 :GMREFIFPLIRAAVAVGCDGVFMETHPEPE T0325 220 :ILQNQSGYC 1pe1A 1229 :KALSDASTQ T0325 229 :MPRIREVE 1pe1A 1241 :SQLEGIIE T0325 242 :EVKEAIE 1pe1A 1249 :AILEIRE Number of specific fragments extracted= 18 number of extra gaps= 1 total=780 Number of alignments=54 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ls1A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0325 read from 1ls1A/merged-good-all-a2m # 1ls1A read from 1ls1A/merged-good-all-a2m # found chain 1ls1A in training set Warning: unaligning (T0325)S82 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ls1A)L103 Warning: unaligning (T0325)L83 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ls1A)L103 T0325 18 :AVTQGIIEAHKRGV 1ls1A 29 :ATLREIRRALMDAD T0325 39 :PTSPYFLEAMESARI 1ls1A 43 :VNLEVARDFVERVRE T0325 54 :SAPTL 1ls1A 63 :QVLES T0325 68 :LNQAKPILPREMVP 1ls1A 88 :GEARLPVLKDRNLW T0325 84 :VDEAGYFWH 1ls1A 104 :VGLQGSGKT T0325 107 :NEWDAQIISFMKSGRRPDHIDSH 1ls1A 113 :TTAAKLALYYKGKGRRPLLVAAD T0325 134 :GKNKKLLGVALALARKYQLPLRNASRSIETKDYLELY 1ls1A 136 :TQRPAAREQLRLLGEKVGVPVLEVMDGESPESIRRRV T0325 182 :QFYDKAISTET 1ls1A 188 :TAGRLQIDEPL T0325 193 :ILQLLDMV 1ls1A 202 :LARLKEVL T0325 204 :EGEVFEINCHPAFIDTILQN 1ls1A 210 :GPDEVLLVLDAMTGQEALSV T0325 243 :VKEAIEERGIL 1ls1A 230 :ARAFDEKVGVT T0325 254 :LANYESLAM 1ls1A 244 :LTKLDGDAR Number of specific fragments extracted= 12 number of extra gaps= 1 total=792 Number of alignments=55 # 1ls1A read from 1ls1A/merged-good-all-a2m # found chain 1ls1A in training set Warning: unaligning (T0325)S82 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ls1A)L103 Warning: unaligning (T0325)L83 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ls1A)L103 T0325 18 :AVTQGIIEAHKRGV 1ls1A 29 :ATLREIRRALMDAD T0325 39 :PTSPYFLEAMESAR 1ls1A 43 :VNLEVARDFVERVR T0325 54 :SAPTL 1ls1A 63 :QVLES T0325 68 :LNQAKPILPREMVP 1ls1A 88 :GEARLPVLKDRNLW T0325 84 :VDEAGYFWH 1ls1A 104 :VGLQGSGKT T0325 107 :NEWDAQIISFMKSGRRPDHIDSH 1ls1A 113 :TTAAKLALYYKGKGRRPLLVAAD T0325 134 :GKNKKLLGVALALARKYQLPLRNASRSIETKDYLELY 1ls1A 136 :TQRPAAREQLRLLGEKVGVPVLEVMDGESPESIRRRV T0325 183 :FYDKAISTETILQLLDMVVCSEGEVFEINCHPAFIDTILQ 1ls1A 189 :AGRLQIDEPLMGELARLKEVLGPDEVLLVLDAMTGQEALS T0325 237 :I 1ls1A 229 :V T0325 243 :VKEAIEERGIL 1ls1A 230 :ARAFDEKVGVT T0325 254 :LANYESLA 1ls1A 244 :LTKLDGDA Number of specific fragments extracted= 11 number of extra gaps= 1 total=803 Number of alignments=56 # 1ls1A read from 1ls1A/merged-good-all-a2m # found chain 1ls1A in training set Warning: unaligning (T0325)P81 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ls1A)L103 T0325 19 :VTQGIIEAHKRGVV 1ls1A 30 :TLREIRRALMDADV T0325 40 :TSPYFLEAMESARI 1ls1A 44 :NLEVARDFVERVRE T0325 68 :LNQAKPILPREMV 1ls1A 87 :GGEARLPVLKDRN T0325 82 :SLVDEAG 1ls1A 104 :VGLQGSG T0325 89 :YFWHQSI 1ls1A 112 :TTTAAKL T0325 113 :IISFMKSGRRPDHIDSH 1ls1A 119 :ALYYKGKGRRPLLVAAD T0325 133 :HGK 1ls1A 136 :TQR T0325 137 :KKLLGVALALARKYQLPLRNASRSIETKDYLEL 1ls1A 139 :PAAREQLRLLGEKVGVPVLEVMDGESPESIRRR T0325 182 :QFYDKAISTETILQLLDMVVCSEGEVFEINCHPAFIDTILQ 1ls1A 188 :TAGRLQIDEPLMGELARLKEVLGPDEVLLVLDAMTGQEALS T0325 242 :EVKEAIEERGIL 1ls1A 229 :VARAFDEKVGVT T0325 254 :LANYESLA 1ls1A 244 :LTKLDGDA Number of specific fragments extracted= 11 number of extra gaps= 1 total=814 Number of alignments=57 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1bf6A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0325 read from 1bf6A/merged-good-all-a2m # 1bf6A read from 1bf6A/merged-good-all-a2m # found chain 1bf6A in training set Warning: unaligning (T0325)D127 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1bf6A)E125 Warning: unaligning (T0325)S128 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1bf6A)E125 T0325 18 :AVTQGIIEAHKRG 1bf6A 35 :FICQEMNDLMTRG T0325 32 :VTSTTALPTSPY 1bf6A 48 :VRNVIEMTNRYM T0325 44 :FLEAMESARI 1bf6A 63 :AQFMLDVMRE T0325 55 :A 1bf6A 73 :T T0325 57 :TLAIGV 1bf6A 74 :GINVVA T0325 66 :LT 1bf6A 80 :CT T0325 73 :PILPREMVPS 1bf6A 82 :GYYQDAFFPE T0325 96 :FEEKVNLEEVYNEWDAQII 1bf6A 92 :HVATRSVQELAQEMVDEIE T0325 119 :S 1bf6A 114 :D T0325 120 :GRRPDHI 1bf6A 117 :ELKAGII T0325 129 :HHNVHG 1bf6A 126 :IGTSEG T0325 135 :KNKK 1bf6A 133 :ITPL T0325 139 :LLGVALALARKYQLPLRNASRSIET 1bf6A 140 :VFIAAALAHNQTGRPISTHTSFSTM T0325 164 :KDYLELY 1bf6A 166 :LEQLALL T0325 171 :QDVRTPDEML 1bf6A 175 :HGVDLSRVTV T0325 182 :QFYDKAISTETILQLLDM 1bf6A 185 :GHCDLKDNLDNILKMIDL T0325 206 :E 1bf6A 203 :G T0325 208 :FEINCHP 1bf6A 204 :AYVQFDT T0325 222 :Q 1bf6A 211 :I T0325 224 :QSGYCMPRIREVEILT 1bf6A 212 :GKNSYYPDEKRIAMLH T0325 246 :AIEERGI 1bf6A 228 :ALRDRGL Number of specific fragments extracted= 21 number of extra gaps= 1 total=835 Number of alignments=58 # 1bf6A read from 1bf6A/merged-good-all-a2m # found chain 1bf6A in training set Warning: unaligning (T0325)D127 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1bf6A)E125 Warning: unaligning (T0325)S128 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1bf6A)E125 T0325 18 :AVTQGIIEAHKRG 1bf6A 35 :FICQEMNDLMTRG T0325 32 :VTSTTALPT 1bf6A 48 :VRNVIEMTN T0325 41 :SPYFLEAMESA 1bf6A 63 :AQFMLDVMRET T0325 57 :TLAIGV 1bf6A 74 :GINVVA T0325 66 :LT 1bf6A 80 :CT T0325 73 :PILPREMVPS 1bf6A 82 :GYYQDAFFPE T0325 96 :FEEKVNLEEVYNEWDAQII 1bf6A 92 :HVATRSVQELAQEMVDEIE T0325 119 :S 1bf6A 114 :D T0325 120 :GRRPDHI 1bf6A 117 :ELKAGII T0325 129 :HHNVHG 1bf6A 126 :IGTSEG T0325 135 :KNKK 1bf6A 133 :ITPL T0325 139 :LLGVALALARKYQLPLRNASRSIET 1bf6A 140 :VFIAAALAHNQTGRPISTHTSFSTM T0325 164 :KDYLELY 1bf6A 166 :LEQLALL T0325 171 :QDVRTPDEMLYQ 1bf6A 175 :HGVDLSRVTVGH T0325 184 :YDKAISTETILQLLDM 1bf6A 187 :CDLKDNLDNILKMIDL T0325 206 :EVF 1bf6A 203 :GAY T0325 210 :INCHPAF 1bf6A 206 :VQFDTIG T0325 225 :SGYCMPRIREVEILT 1bf6A 213 :KNSYYPDEKRIAMLH T0325 246 :AIEERGI 1bf6A 228 :ALRDRGL Number of specific fragments extracted= 19 number of extra gaps= 1 total=854 Number of alignments=59 # 1bf6A read from 1bf6A/merged-good-all-a2m # found chain 1bf6A in training set Warning: unaligning (T0325)H130 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1bf6A)E125 Warning: unaligning (T0325)N131 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1bf6A)E125 T0325 18 :AVTQGIIEAHKRG 1bf6A 35 :FICQEMNDLMTRG T0325 32 :VTSTTALPTSPY 1bf6A 48 :VRNVIEMTNRYM T0325 44 :FLEAMESARI 1bf6A 63 :AQFMLDVMRE T0325 56 :PTLAIGV 1bf6A 73 :TGINVVA T0325 67 :T 1bf6A 81 :T T0325 72 :KPILPREMVP 1bf6A 82 :GYYQDAFFPE T0325 96 :FEEKVNLEEVYNEWDAQII 1bf6A 92 :HVATRSVQELAQEMVDEIE T0325 119 :SGRRPDH 1bf6A 114 :DGTELKA T0325 127 :DSH 1bf6A 121 :GII T0325 132 :VHGKNKKLLGVA 1bf6A 126 :IGTSEGKITPLE T0325 144 :LALARKYQLPLRNASRSIET 1bf6A 145 :ALAHNQTGRPISTHTSFSTM T0325 164 :KDYLELYQDVRTPDEMLYQFYD 1bf6A 166 :LEQLALLQAHGVDLSRVTVGHC T0325 188 :ISTETILQLLDMVVCS 1bf6A 188 :DLKDNLDNILKMIDLG T0325 208 :FEINCHPA 1bf6A 204 :AYVQFDTI T0325 224 :QSGYCMPRIREVEILT 1bf6A 212 :GKNSYYPDEKRIAMLH T0325 246 :AIEERGI 1bf6A 228 :ALRDRGL Number of specific fragments extracted= 16 number of extra gaps= 1 total=870 Number of alignments=60 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1eyeA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0325 read from 1eyeA/merged-good-all-a2m # 1eyeA read from 1eyeA/merged-good-all-a2m # found chain 1eyeA in training set Warning: unaligning (T0325)L253 because last residue in template chain is (1eyeA)E274 T0325 4 :KKLIINAD 1eyeA 81 :ITVSIDTM T0325 19 :VTQGIIEAHKRG 1eyeA 89 :RADVARAALQNG T0325 32 :VTSTTALP 1eyeA 101 :AQMVNDVS T0325 40 :TSPYFLEAMESA 1eyeA 112 :ADPAMGPLLAEA T0325 57 :TLAIGV 1eyeA 124 :DVPWVL T0325 67 :T 1eyeA 130 :M T0325 70 :QAKPILPREM 1eyeA 131 :HWRAVSADTP T0325 87 :A 1eyeA 141 :H T0325 91 :WHQSI 1eyeA 142 :VPVRY T0325 102 :LEEVYNEWDAQIISFMKSGRRPDHIDSHHNVHGK 1eyeA 150 :VAEVRADLLASVADAVAAGVDPARLVLDPGLGFA T0325 136 :NKKLLGVALALARKY 1eyeA 185 :TAQHNWAILHALPEL T0325 151 :QLPLRNASRSIET 1eyeA 203 :GIPVLVGASRKRF T0325 164 :KDYLELYQDVRTPDEML 1eyeA 217 :GALLAGPDGVMRPTDGR T0325 190 :TETILQLLDMVV 1eyeA 234 :DTATAVISALAA T0325 204 :EGEVFEINCHPA 1eyeA 246 :LHGAWGVRVHDV T0325 232 :IREVEI 1eyeA 258 :RASVDA T0325 243 :VKEAIEERGI 1eyeA 264 :IKVVEAWMGA Number of specific fragments extracted= 17 number of extra gaps= 0 total=887 Number of alignments=61 # 1eyeA read from 1eyeA/merged-good-all-a2m # found chain 1eyeA in training set Warning: unaligning (T0325)L253 because last residue in template chain is (1eyeA)E274 T0325 17 :PAVTQGIIEAHKRGV 1eyeA 67 :SRVIPVVKELAAQGI T0325 33 :TSTTALPTSPYFLEAME 1eyeA 82 :TVSIDTMRADVARAALQ T0325 50 :SARI 1eyeA 119 :LLAE T0325 55 :A 1eyeA 123 :A T0325 57 :TLAIG 1eyeA 124 :DVPWV T0325 66 :LT 1eyeA 129 :LM T0325 70 :QAKPILPR 1eyeA 131 :HWRAVSAD T0325 85 :DEA 1eyeA 139 :TPH T0325 102 :LEEVYNEWDAQIISFMKSGRRPDHIDSHHNVHGKN 1eyeA 150 :VAEVRADLLASVADAVAAGVDPARLVLDPGLGFAK T0325 137 :KKLLGVALALARKY 1eyeA 186 :AQHNWAILHALPEL T0325 151 :QLPLRNASRSIETKDYLELY 1eyeA 203 :GIPVLVGASRKRFLGALLAG T0325 171 :QDVRTPDEM 1eyeA 225 :GVMRPTDGR T0325 190 :TETILQLLDMVVC 1eyeA 234 :DTATAVISALAAL T0325 205 :GEVFEINCHP 1eyeA 247 :HGAWGVRVHD T0325 231 :RIREVEI 1eyeA 257 :VRASVDA T0325 243 :VKEAIEERGI 1eyeA 264 :IKVVEAWMGA Number of specific fragments extracted= 16 number of extra gaps= 0 total=903 Number of alignments=62 # 1eyeA read from 1eyeA/merged-good-all-a2m # found chain 1eyeA in training set T0325 17 :PAVTQGIIEAHKRGVVTSTT 1eyeA 67 :SRVIPVVKELAAQGITVSID T0325 38 :LPTSPYFLEAME 1eyeA 87 :TMRADVARAALQ T0325 50 :SARI 1eyeA 119 :LLAE T0325 56 :PTL 1eyeA 123 :ADV T0325 64 :LTLTLNQAKPILPREMVPSLVD 1eyeA 127 :WVLMHWRAVSADTPHVPVRYGN T0325 102 :LEEVYNEWDAQIISFMKSGRRPDHIDSHHNVHGKN 1eyeA 150 :VAEVRADLLASVADAVAAGVDPARLVLDPGLGFAK T0325 138 :K 1eyeA 185 :T T0325 139 :LLGVALALARK 1eyeA 188 :HNWAILHALPE T0325 150 :YQLPLRNASRSIET 1eyeA 202 :TGIPVLVGASRKRF T0325 166 :YLEL 1eyeA 216 :LGAL T0325 173 :VRTPDEMLY 1eyeA 220 :LAGPDGVMR T0325 185 :DKAISTETILQLLDMVVCS 1eyeA 229 :PTDGRDTATAVISALAALH T0325 206 :EVFEINCHP 1eyeA 248 :GAWGVRVHD T0325 231 :RIR 1eyeA 257 :VRA T0325 243 :VKEAIEE 1eyeA 260 :SVDAIKV Number of specific fragments extracted= 15 number of extra gaps= 0 total=918 Number of alignments=63 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1a53/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1a53 expands to /projects/compbio/data/pdb/1a53.pdb.gz 1a53:Warning: there is no chain 1a53 will retry with 1a53A # T0325 read from 1a53/merged-good-all-a2m # 1a53 read from 1a53/merged-good-all-a2m # adding 1a53 to template set # found chain 1a53 in template set T0325 18 :AVTQGIIEAHKRGVVTSTTALPT 1a53 32 :SLNERILEFNKRNITAIIAEYKR T0325 41 :SPY 1a53 56 :SPS T0325 44 :FLEAMESAR 1a53 66 :PIEYSKFME T0325 57 :TLAIGVHLTLT 1a53 75 :RYAVGLSILTE T0325 81 :PSLV 1a53 86 :EKYF T0325 99 :KVNLEEVYNEW 1a53 90 :NGSYETLRKIA T0325 110 :DAQIISFMKSGRRPDHI 1a53 116 :ESQIDDAYNLGADTVLL T0325 131 :NVHGKNKKLLGVALALARKYQLPLRNASRSIETKDYLE 1a53 133 :IVKILTERELESLLEYARSYGMEPLIEINDENDLDIAL T0325 171 :QDVRTPDEMLYQFYDKAISTETILQLLDMV 1a53 172 :IGARFIGINSRDLETLEINKENQRKLISMI T0325 204 :EGEVFEINCHP 1a53 202 :PSNVVKVAESG T0325 217 :IDT 1a53 213 :ISE T0325 240 :SQEVKE 1a53 216 :RNEIEE T0325 247 :IEERGILLA 1a53 222 :LRKLGVNAF Number of specific fragments extracted= 13 number of extra gaps= 0 total=931 Number of alignments=64 # 1a53 read from 1a53/merged-good-all-a2m # found chain 1a53 in template set T0325 18 :AVTQGIIEAHKRGVVTSTTALPT 1a53 32 :SLNERILEFNKRNITAIIAEYKR T0325 44 :FLEAMESAR 1a53 66 :PIEYSKFME T0325 57 :TLAIGVHLTLT 1a53 75 :RYAVGLSILTE T0325 81 :PS 1a53 86 :EK T0325 97 :EEKVNLEEVYNEW 1a53 88 :YFNGSYETLRKIA T0325 110 :DAQIISFMKSGRRPDHI 1a53 116 :ESQIDDAYNLGADTVLL T0325 131 :NVHGKNKKLLGVALALARKYQLPLRNASR 1a53 133 :IVKILTERELESLLEYARSYGMEPLIEIN T0325 163 :TKDYLELY 1a53 162 :DENDLDIA T0325 171 :QDVRTPDEMLYQFYDKAISTETILQLLDMV 1a53 172 :IGARFIGINSRDLETLEINKENQRKLISMI T0325 204 :EGEVFEINCHPAFID 1a53 202 :PSNVVKVAESGISER T0325 241 :QEV 1a53 217 :NEI T0325 245 :EAIEERGILLA 1a53 220 :EELRKLGVNAF Number of specific fragments extracted= 12 number of extra gaps= 0 total=943 Number of alignments=65 # 1a53 read from 1a53/merged-good-all-a2m # found chain 1a53 in template set T0325 19 :VTQGIIEAHKRGVVTSTTALPT 1a53 33 :LNERILEFNKRNITAIIAEYKR T0325 44 :FLEAMESARI 1a53 66 :PIEYSKFMER T0325 58 :LAIGVHLT 1a53 76 :YAVGLSIL T0325 67 :TLN 1a53 84 :TEE T0325 86 :E 1a53 87 :K T0325 97 :EEKVNLEEVYNEW 1a53 88 :YFNGSYETLRKIA T0325 110 :DAQIISFMKSGRRPDHI 1a53 116 :ESQIDDAYNLGADTVLL T0325 131 :NVHGKNKKLLGVALALARKYQLPLRNASRSIETKDYLEL 1a53 133 :IVKILTERELESLLEYARSYGMEPLIEINDENDLDIALR T0325 170 :YQDVRT 1a53 182 :RDLETL T0325 190 :TETILQLLDMVVCSEGEVFEINCHPAFID 1a53 188 :EINKENQRKLISMIPSNVVKVAESGISER T0325 241 :QEVKE 1a53 217 :NEIEE T0325 247 :IEERGILLA 1a53 222 :LRKLGVNAF Number of specific fragments extracted= 12 number of extra gaps= 0 total=955 Number of alignments=66 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1w5nA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0325 read from 1w5nA/merged-good-all-a2m # 1w5nA read from 1w5nA/merged-good-all-a2m # found chain 1w5nA in training set Warning: unaligning (T0325)D127 because of BadResidue code BAD_PEPTIDE in next template residue (1w5nA)D176 Warning: unaligning (T0325)S128 because of BadResidue code BAD_PEPTIDE at template residue (1w5nA)D176 Warning: unaligning (T0325)V173 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1w5nA)N228 T0325 17 :PAVTQGIIEAHKRG 1w5nA 66 :DQLLIEAEEWVALG T0325 32 :VTSTTALPTSP 1w5nA 80 :IPALALFPVTP T0325 43 :YFLEAMESARISAPTLAIGVHL 1w5nA 107 :IAQRATRALRERFPELGIITDV T0325 70 :QAKPILPREMV 1w5nA 129 :ALCPFTTHGQC T0325 82 :SLVDEAGY 1w5nA 140 :GILDDDGY T0325 100 :VNLEEVYNEWDAQIISFMKSGRRPDHI 1w5nA 148 :VLNDVSIDVLVRQALSHAEAGAQVVAP T0325 135 :KNKKLLGVALALARKY 1w5nA 177 :MMDGRIGAIREALESA T0325 151 :QLPLRN 1w5nA 196 :NVRVMA T0325 157 :ASRSIETKDYLELYQD 1w5nA 204 :AKYASAYYGPFRDAVG T0325 179 :MLYQFYDKAIS 1w5nA 229 :KATYQMDPANS T0325 191 :ETILQLLDMVVCS 1w5nA 240 :DEALHEVAADLAE T0325 206 :EVFEINCHPAF 1w5nA 253 :GADMVMVKPGM T0325 226 :GYCMPRIREVEIL 1w5nA 264 :PYLDIVRRVKDEF Number of specific fragments extracted= 13 number of extra gaps= 1 total=968 Number of alignments=67 # 1w5nA read from 1w5nA/merged-good-all-a2m # found chain 1w5nA in training set Warning: unaligning (T0325)D127 because of BadResidue code BAD_PEPTIDE in next template residue (1w5nA)D176 Warning: unaligning (T0325)S128 because of BadResidue code BAD_PEPTIDE at template residue (1w5nA)D176 Warning: unaligning (T0325)V173 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1w5nA)N228 T0325 17 :PAVTQGIIEAHKRGVVTSTTALPT 1w5nA 66 :DQLLIEAEEWVALGIPALALFPVT T0325 43 :YFLEAMESARISAPTLAIGVHLTL 1w5nA 107 :IAQRATRALRERFPELGIITDVAL T0325 72 :KPILPREMV 1w5nA 131 :CPFTTHGQC T0325 82 :SLVDEAGY 1w5nA 140 :GILDDDGY T0325 100 :VNLEEVYNEWDAQIISFMKSGRRPDHI 1w5nA 148 :VLNDVSIDVLVRQALSHAEAGAQVVAP T0325 135 :KNKKLLGVALALARKYQLPLRNA 1w5nA 177 :MMDGRIGAIREALESAGHTNVRV T0325 158 :SRSIETKDYLELYQD 1w5nA 205 :KYASAYYGPFRDAVG T0325 180 :LYQFYDKA 1w5nA 230 :ATYQMDPA T0325 189 :STETILQLLDMVVC 1w5nA 238 :NSDEALHEVAADLA T0325 205 :GEVFEINCHPAFID 1w5nA 252 :EGADMVMVKPGMPY Number of specific fragments extracted= 10 number of extra gaps= 1 total=978 Number of alignments=68 # 1w5nA read from 1w5nA/merged-good-all-a2m # found chain 1w5nA in training set Warning: unaligning (T0325)H129 because of BadResidue code BAD_PEPTIDE in next template residue (1w5nA)D176 Warning: unaligning (T0325)H133 because of BadResidue code BAD_PEPTIDE at template residue (1w5nA)D176 Warning: unaligning (T0325)Y170 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1w5nA)N228 Warning: unaligning (T0325)M179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1w5nA)N228 T0325 17 :PAVTQGIIEAHKRGVVTSTTALPT 1w5nA 66 :DQLLIEAEEWVALGIPALALFPVT T0325 42 :P 1w5nA 90 :P T0325 43 :YFLEAMESARISAPTLAIGVHLTLT 1w5nA 107 :IAQRATRALRERFPELGIITDVALC T0325 72 :KPILPREMVPSLVDEAG 1w5nA 132 :PFTTHGQCGILDDDGYV T0325 101 :NLEEVYNEWDAQIISFMKSGRR 1w5nA 149 :LNDVSIDVLVRQALSHAEAGAQ T0325 125 :HIDS 1w5nA 171 :VVAP T0325 134 :GK 1w5nA 177 :MM T0325 137 :KKLLGVALALARKYQLPLRNA 1w5nA 179 :DGRIGAIREALESAGHTNVRV T0325 158 :SRSIETKDYLEL 1w5nA 205 :KYASAYYGPFRD T0325 180 :LYQFYDKAISTETILQLLDMVVCS 1w5nA 229 :KATYQMDPANSDEALHEVAADLAE T0325 206 :EVFEINCHPAFID 1w5nA 253 :GADMVMVKPGMPY T0325 219 :TIL 1w5nA 267 :DIV T0325 232 :IR 1w5nA 270 :RR T0325 243 :VKE 1w5nA 272 :VKD Number of specific fragments extracted= 14 number of extra gaps= 1 total=992 Number of alignments=69 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2fuvA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2fuvA expands to /projects/compbio/data/pdb/2fuv.pdb.gz 2fuvA:Skipped atom 75, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 79, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 81, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 83, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 85, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 87, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 90, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 94, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 96, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 98, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 100, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 102, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 232, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 236, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 238, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 240, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 242, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 244, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1365, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1367, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1369, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1371, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1373, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1375, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1377, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1379, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1381, because occupancy 0.500 <= existing 0.500 in 2fuvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1599, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1603, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1605, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1607, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1609, because occupancy 0.500 <= existing 0.500 in 2fuvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2093, because occupancy 0.500 <= existing 0.500 in 2fuvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2097, because occupancy 0.500 <= existing 0.500 in 2fuvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2099, because occupancy 0.500 <= existing 0.500 in 2fuvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2101, because occupancy 0.440 <= existing 0.440 in 2fuvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2103, because occupancy 0.500 <= existing 0.500 in 2fuvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3322, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3326, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3328, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3330, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3332, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3334, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3336, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3338, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3492, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 3496, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 3498, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 3501, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3505, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3507, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3509, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3511, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3513, because occupancy 0.500 <= existing 0.500 in 2fuvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3968, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3972, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3974, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3976, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3978, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3980, because occupancy 0.500 <= existing 0.500 in 2fuvA # T0325 read from 2fuvA/merged-good-all-a2m # 2fuvA read from 2fuvA/merged-good-all-a2m # adding 2fuvA to template set # found chain 2fuvA in template set Warning: unaligning (T0325)A157 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)N259 Warning: unaligning (T0325)S158 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)N259 T0325 2 :SNKKLIINADDFGYTPAVTQGIIEAHKRGVVTSTTA 2fuvA 77 :ITGPCYVGKDTHALSEPAFISVLEVLAANGVDVIVQ T0325 38 :LPTSPYFLEAMESARISAPTLAIGV 2fuvA 117 :FTPTPAVSNAILVHNKKGGPLADGI T0325 65 :TLTLNQAKP 2fuvA 142 :VITPSHNPP T0325 78 :EMV 2fuvA 151 :EDG T0325 82 :SLVDEAGYFWH 2fuvA 156 :KYNPPNGGPAD T0325 93 :QSIFEEKVNLEEV 2fuvA 212 :VEGLADIVDMAAI T0325 117 :MKSGRRP 2fuvA 225 :QKAGLTL T0325 125 :HIDSHHNVH 2fuvA 232 :GVDPLGGSG T0325 140 :LGVALALARKYQLPLRN 2fuvA 241 :IEYWKRIAEHYKLNLTL T0325 159 :RSIETKDYLELY 2fuvA 260 :DQVDQTFRFMHL T0325 171 :QDVRTPDEMLYQF 2fuvA 316 :AGLMNPNHYLAVA T0325 193 :ILQLLDMVVCSEGEVFEINC 2fuvA 329 :INYLFQHRPLWGKDVAVGKT T0325 223 :NQSGYCMPR 2fuvA 349 :LVSSAMIDR T0325 246 :AIEERGILLANY 2fuvA 358 :VVNDLGRKLVEV Number of specific fragments extracted= 14 number of extra gaps= 1 total=1006 Number of alignments=70 # 2fuvA read from 2fuvA/merged-good-all-a2m # found chain 2fuvA in template set Warning: unaligning (T0325)A157 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)N259 Warning: unaligning (T0325)S158 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)N259 T0325 2 :SNKKLIINADDFGYTPAVTQGIIEAHKRGVVTSTTA 2fuvA 77 :ITGPCYVGKDTHALSEPAFISVLEVLAANGVDVIVQ T0325 38 :LPTSPYFLEAMESARISAPTLAIGV 2fuvA 117 :FTPTPAVSNAILVHNKKGGPLADGI T0325 65 :TLTLNQAKPI 2fuvA 142 :VITPSHNPPE T0325 79 :M 2fuvA 152 :D T0325 83 :LVDEAGYFWHQSI 2fuvA 157 :YNPPNGGPADTNV T0325 100 :VNLEEVYN 2fuvA 191 :ISLDAAMA T0325 113 :IISFM 2fuvA 208 :VQPFV T0325 118 :KSGRRP 2fuvA 226 :KAGLTL T0325 125 :HIDSHHNVH 2fuvA 232 :GVDPLGGSG T0325 140 :LGVALALARKYQLPLRN 2fuvA 241 :IEYWKRIAEHYKLNLTL T0325 159 :RSIETKDYL 2fuvA 260 :DQVDQTFRF T0325 171 :QDVRTPDEMLYQ 2fuvA 316 :AGLMNPNHYLAV T0325 192 :TILQLLDMVVCSEGEVFEINCHP 2fuvA 328 :AINYLFQHRPLWGKDVAVGKTLV T0325 225 :SGYCMPR 2fuvA 351 :SSAMIDR T0325 246 :AIEERGILLANY 2fuvA 358 :VVNDLGRKLVEV Number of specific fragments extracted= 15 number of extra gaps= 1 total=1021 Number of alignments=71 # 2fuvA read from 2fuvA/merged-good-all-a2m # found chain 2fuvA in template set Warning: unaligning (T0325)V84 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2fuvA)Q186 Warning: unaligning (T0325)D85 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2fuvA)Q186 Warning: unaligning (T0325)E86 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0325)A157 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)N259 Warning: unaligning (T0325)S158 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)N259 T0325 2 :SNKKLIINADDFGYTPAVTQGIIEAHKRGVVTSTTA 2fuvA 77 :ITGPCYVGKDTHALSEPAFISVLEVLAANGVDVIVQ T0325 38 :LPTSPYFLEAMESARISAPTLAIGV 2fuvA 117 :FTPTPAVSNAILVHNKKGGPLADGI T0325 65 :TLTLNQAKPIL 2fuvA 142 :VITPSHNPPED T0325 76 :PREM 2fuvA 161 :NGGP T0325 81 :PSL 2fuvA 182 :AGG T0325 87 :AG 2fuvA 188 :VK T0325 89 :YFWHQSIFEEKVNLEE 2fuvA 208 :VQPFVEGLADIVDMAA T0325 116 :FMKSGRRPD 2fuvA 224 :IQKAGLTLG T0325 126 :IDSHHNV 2fuvA 233 :VDPLGGS T0325 139 :LLGVALALARKYQLPLRN 2fuvA 240 :GIEYWKRIAEHYKLNLTL T0325 159 :RSIETK 2fuvA 260 :DQVDQT T0325 165 :DYLELYQDVRTPDEMLYQFYDK 2fuvA 267 :RFMHLDKDGAIRMDCSSECAMA T0325 198 :DMVVCSEGEVFEINCHPAFID 2fuvA 289 :GLLALRDKFDLAFANDPDYDR Number of specific fragments extracted= 13 number of extra gaps= 2 total=1034 Number of alignments=72 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1qwkA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1qwkA expands to /projects/compbio/data/pdb/1qwk.pdb.gz 1qwkA:# T0325 read from 1qwkA/merged-good-all-a2m # 1qwkA read from 1qwkA/merged-good-all-a2m # adding 1qwkA to template set # found chain 1qwkA in template set T0325 4 :KKLIINADDFGYTPAVTQGIIEAHKRGVVT 1qwkA 43 :YRLIDTASVYQNEEAIGTAIKELLEEGVVK T0325 34 :STTAL 1qwkA 78 :ITTKA T0325 39 :PTSPYFLEAMESA 1qwkA 87 :LAPGKLEGGLRES T0325 52 :RISAPTLAIGV 1qwkA 102 :KLQLEYVDLYL T0325 70 :QAKPILPREMVPSLV 1qwkA 113 :AHMPAAFNDDMSEHI T0325 99 :KVNLEEVYNEWDA 1qwkA 128 :ASPVEDVWRQFDA T0325 112 :QIISFMKSGRRPDHIDSHHNVH 1qwkA 159 :QISRALALGLTPVHNSQVELHL T0325 135 :KNK 1qwkA 181 :YFP T0325 139 :LLGVA 1qwkA 184 :QHDHV T0325 145 :ALARKYQL 1qwkA 189 :DFCKKHNI T0325 153 :PLRNASRSIETKDYLELYQD 1qwkA 207 :PGRVNFTLPTGQKLDWAPAP T0325 176 :PDEML 1qwkA 227 :SDLQD T0325 191 :ETILQLLDMVVCS 1qwkA 232 :QNVLALAEKTHKT T0325 204 :EGEVFEI 1qwkA 255 :DRGCAIL T0325 214 :P 1qwkA 262 :P T0325 225 :SGYCMPRIREV 1qwkA 263 :KSIQENRIKEN T0325 238 :L 1qwkA 274 :F T0325 240 :SQEVKEAIEERG 1qwkA 282 :TEEDIAKLEESK Number of specific fragments extracted= 18 number of extra gaps= 0 total=1052 Number of alignments=73 # 1qwkA read from 1qwkA/merged-good-all-a2m # found chain 1qwkA in template set T0325 4 :KKLIINADDFGYTPAVTQGIIEAHKRGVVT 1qwkA 43 :YRLIDTASVYQNEEAIGTAIKELLEEGVVK T0325 34 :STTALPT 1qwkA 79 :TTKAWTH T0325 42 :PYFLEAMESA 1qwkA 90 :GKLEGGLRES T0325 52 :RISAPTLAIGV 1qwkA 102 :KLQLEYVDLYL T0325 70 :QAKPILPREMVPSLV 1qwkA 113 :AHMPAAFNDDMSEHI T0325 99 :KVNLEEVYNEWDA 1qwkA 128 :ASPVEDVWRQFDA T0325 112 :QIISFMKSGRRPDHIDSHHNVH 1qwkA 159 :QISRALALGLTPVHNSQVELHL T0325 135 :KNK 1qwkA 181 :YFP T0325 139 :LLGV 1qwkA 184 :QHDH T0325 144 :LALARKYQL 1qwkA 188 :VDFCKKHNI T0325 153 :PLRNASRSIETKDYLE 1qwkA 207 :PGRVNFTLPTGQKLDW T0325 174 :RTPDEMLYQ 1qwkA 223 :APAPSDLQD T0325 191 :ETILQLLDMVVCS 1qwkA 232 :QNVLALAEKTHKT T0325 204 :EGEVFEI 1qwkA 255 :DRGCAIL T0325 214 :P 1qwkA 262 :P T0325 225 :SGYCMPRIREV 1qwkA 263 :KSIQENRIKEN T0325 238 :L 1qwkA 274 :F T0325 240 :SQEVKEAIEERG 1qwkA 282 :TEEDIAKLEESK Number of specific fragments extracted= 18 number of extra gaps= 0 total=1070 Number of alignments=74 # 1qwkA read from 1qwkA/merged-good-all-a2m # found chain 1qwkA in template set T0325 4 :KKLIINADDFGYTPAVTQGIIEAHKRGVVT 1qwkA 43 :YRLIDTASVYQNEEAIGTAIKELLEEGVVK T0325 34 :STTALPT 1qwkA 79 :TTKAWTH T0325 42 :PYFLEAMESARI 1qwkA 90 :GKLEGGLRESLK T0325 54 :SAPTLAI 1qwkA 104 :QLEYVDL T0325 63 :HLTL 1qwkA 111 :YLAH T0325 78 :EMVPSLVDEAG 1qwkA 115 :MPAAFNDDMSE T0325 99 :KVNLEEVYNEWDA 1qwkA 128 :ASPVEDVWRQFDA T0325 112 :QIISFMKSGRRPDHI 1qwkA 159 :QISRALALGLTPVHN T0325 128 :SHHNVHGK 1qwkA 174 :SQVELHLY T0325 137 :KKLLGVA 1qwkA 182 :FPQHDHV T0325 145 :ALARKYQL 1qwkA 189 :DFCKKHNI T0325 153 :PLRNASRSIETKDYLELYQDVRTPDEMLYQFYDKA 1qwkA 207 :PGRVNFTLPTGQKLDWAPAPSDLQDQNVLALAEKT T0325 189 :STETILQLLDMVVCSE 1qwkA 242 :HKTPAQVLLRYALDRG T0325 207 :V 1qwkA 258 :C T0325 211 :NCHPAFIDTI 1qwkA 259 :AILPKSIQEN T0325 231 :RIREV 1qwkA 269 :RIKEN T0325 238 :L 1qwkA 274 :F T0325 239 :TSQEVKEAIEERG 1qwkA 281 :LTEEDIAKLEESK Number of specific fragments extracted= 18 number of extra gaps= 0 total=1088 Number of alignments=75 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1zzmA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1zzmA expands to /projects/compbio/data/pdb/1zzm.pdb.gz 1zzmA:# T0325 read from 1zzmA/merged-good-all-a2m # 1zzmA read from 1zzmA/merged-good-all-a2m # adding 1zzmA to template set # found chain 1zzmA in template set Warning: unaligning (T0325)S2 because first residue in template chain is (1zzmA)M1 T0325 3 :NKKLIINADDFGY 1zzmA 2 :ICRFIDTHCHFDF T0325 16 :TPAVTQGIIEAHKRGVVTSTTALPTSPYFLEAMESAR 1zzmA 18 :SGDEEASLQRAAQAGVGKIIVPATEAENFARVLALAE T0325 54 :SAPTLAIGV 1zzmA 55 :NYQPLYAAL T0325 74 :ILPREMVPSL 1zzmA 64 :GLHPGMLEKH T0325 92 :H 1zzmA 74 :S T0325 94 :SIFEEKVNLEEVYNEWDAQIISFMKSGR 1zzmA 101 :DLFGDDPQFERQQWLLDEQLKLAKRYDL T0325 123 :PDHIDS 1zzmA 129 :PVILHS T0325 138 :KLLGVALALARKYQL 1zzmA 136 :RTHDKLAMHLKRHDL T0325 153 :PLRNASRSIETK 1zzmA 153 :TGVVHGFSGSLQ T0325 166 :YLELY 1zzmA 165 :QAERF T0325 171 :QDVR 1zzmA 172 :LGYK T0325 175 :TPDEML 1zzmA 178 :VGGTIT T0325 184 :YDKAIS 1zzmA 184 :YPRASK T0325 196 :LLDMVVCSEGEVFEINCHPAFID 1zzmA 190 :TRDVIAKLPLASLLLETDAPDMP T0325 219 :TILQNQSGYCMPRIREVEILT 1zzmA 214 :NGFQGQPNRPEQAARVFAVLC T0325 240 :SQEVKEAIEER 1zzmA 241 :ADEIAQALLNN Number of specific fragments extracted= 16 number of extra gaps= 0 total=1104 Number of alignments=76 # 1zzmA read from 1zzmA/merged-good-all-a2m # found chain 1zzmA in template set Warning: unaligning (T0325)S2 because first residue in template chain is (1zzmA)M1 T0325 3 :NKKLIINADDFGY 1zzmA 2 :ICRFIDTHCHFDF T0325 16 :TPAVTQGIIEAHKRGVVTSTTALPTSPYFLEAMESAR 1zzmA 18 :SGDEEASLQRAAQAGVGKIIVPATEAENFARVLALAE T0325 54 :SAPTLAIGV 1zzmA 55 :NYQPLYAAL T0325 74 :ILPREMVPSL 1zzmA 64 :GLHPGMLEKH T0325 92 :HQSI 1zzmA 74 :SDVS T0325 96 :FEEKVNLEEVYNEWDAQIISFMKSGR 1zzmA 103 :FGDDPQFERQQWLLDEQLKLAKRYDL T0325 123 :PDHIDS 1zzmA 129 :PVILHS T0325 138 :KLLGVALALARKYQLPLRNA 1zzmA 136 :RTHDKLAMHLKRHDLPRTGV T0325 159 :RSIETKDYLELY 1zzmA 158 :GFSGSLQQAERF T0325 171 :QDVR 1zzmA 172 :LGYK T0325 175 :TPDEM 1zzmA 178 :VGGTI T0325 183 :FYDKAIS 1zzmA 183 :TYPRASK T0325 196 :LLDMVVCSEGEVFEINCHPAFID 1zzmA 190 :TRDVIAKLPLASLLLETDAPDMP T0325 219 :TILQNQSGYCMPRIREVEILTS 1zzmA 214 :NGFQGQPNRPEQAARVFAVLCE T0325 241 :QEVKEAIEER 1zzmA 242 :DEIAQALLNN Number of specific fragments extracted= 15 number of extra gaps= 0 total=1119 Number of alignments=77 # 1zzmA read from 1zzmA/merged-good-all-a2m # found chain 1zzmA in template set T0325 4 :KKLIINA 1zzmA 34 :GKIIVPA T0325 15 :YTPAVTQGIIEAHKR 1zzmA 41 :TEAENFARVLALAEN T0325 30 :GVVTSTTALPTS 1zzmA 57 :QPLYAALGLHPG T0325 42 :PYFLEAMESARI 1zzmA 76 :VSLEQLQQALER T0325 98 :EKVNLEEVYNEWDAQIISFMKSGR 1zzmA 105 :DDPQFERQQWLLDEQLKLAKRYDL T0325 123 :PDHIDS 1zzmA 129 :PVILHS T0325 137 :KKLLGVALALARKYQLPLRN 1zzmA 135 :RRTHDKLAMHLKRHDLPRTG T0325 159 :RSIETKDYLELYQDVRTPDEMLYQFYDKAIST 1zzmA 158 :GFSGSLQQAERFVQLGYKIGVGGTITYPRASK T0325 196 :LLDMVVCSEGEVFEINCHPAFID 1zzmA 190 :TRDVIAKLPLASLLLETDAPDMP T0325 219 :TILQNQSGYCMPRIREVEILT 1zzmA 214 :NGFQGQPNRPEQAARVFAVLC T0325 241 :QEVKEAIEER 1zzmA 242 :DEIAQALLNN Number of specific fragments extracted= 11 number of extra gaps= 0 total=1130 Number of alignments=78 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2bp1A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2bp1A expands to /projects/compbio/data/pdb/2bp1.pdb.gz 2bp1A:# T0325 read from 2bp1A/merged-good-all-a2m # 2bp1A read from 2bp1A/merged-good-all-a2m # adding 2bp1A to template set # found chain 2bp1A in template set Warning: unaligning (T0325)N3 because first residue in template chain is (2bp1A)R38 Warning: unaligning (T0325)P73 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2bp1A)L115 Warning: unaligning (T0325)V100 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2bp1A)L115 Warning: unaligning (T0325)D127 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2bp1A)L141 Warning: unaligning (T0325)S128 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2bp1A)L141 T0325 4 :KKLIINADDFG 2bp1A 39 :VASVLGTMEMG T0325 17 :PAVTQGIIEAHKRGVVTSTTALPTSPY 2bp1A 55 :PASAAAVRAFLERGHTELDTAFMYSDG T0325 46 :EAMESARI 2bp1A 82 :QSETILGG T0325 55 :A 2bp1A 90 :L T0325 56 :PTLAIGVHLTLTLNQAK 2bp1A 97 :GDCRVKIATKANPWDGK T0325 101 :NLEEVYNEWDAQIISF 2bp1A 116 :KPDSVRSQLETSLKRL T0325 120 :GRRPDHI 2bp1A 133 :CPQVDLF T0325 129 :HHNVH 2bp1A 142 :HAPDH T0325 135 :KNKK 2bp1A 147 :GTPV T0325 139 :LLGVALALARKY 2bp1A 153 :TLHACQRLHQEG T0325 152 :L 2bp1A 165 :K T0325 154 :LRN 2bp1A 166 :FVE T0325 187 :AISTETILQLLDMVVCSEGEVFEIN 2bp1A 173 :NYASWEVAEICTLCKSNGWILPTVY T0325 212 :CHPAFIDTILQN 2bp1A 200 :MYNATTRQVETE T0325 243 :VKEAIEERGILLANY 2bp1A 212 :LFPCLRHFGLRFYAY Number of specific fragments extracted= 15 number of extra gaps= 2 total=1145 Number of alignments=79 # 2bp1A read from 2bp1A/merged-good-all-a2m # found chain 2bp1A in template set Warning: unaligning (T0325)N3 because first residue in template chain is (2bp1A)R38 Warning: unaligning (T0325)P73 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2bp1A)L115 Warning: unaligning (T0325)V100 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2bp1A)L115 Warning: unaligning (T0325)D127 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2bp1A)L141 Warning: unaligning (T0325)S128 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2bp1A)L141 T0325 4 :KKLIINADDFG 2bp1A 39 :VASVLGTMEMG T0325 17 :PAVTQGIIEAHKRGVVTSTTALPTSPY 2bp1A 55 :PASAAAVRAFLERGHTELDTAFMYSDG T0325 46 :EAMESAR 2bp1A 82 :QSETILG T0325 53 :ISAPTLAIGVHLTLTLNQAK 2bp1A 94 :LGGGDCRVKIATKANPWDGK T0325 101 :NLEEVYNEWDAQIISF 2bp1A 116 :KPDSVRSQLETSLKRL T0325 120 :GRRPDHI 2bp1A 133 :CPQVDLF T0325 129 :HHNVH 2bp1A 142 :HAPDH T0325 135 :KNKK 2bp1A 147 :GTPV T0325 139 :LLGVALALARK 2bp1A 153 :TLHACQRLHQE T0325 151 :QL 2bp1A 164 :GK T0325 154 :LRN 2bp1A 166 :FVE T0325 182 :Q 2bp1A 169 :L T0325 187 :AISTETILQLLDMVVCSEGEVFEINC 2bp1A 173 :NYASWEVAEICTLCKSNGWILPTVYQ T0325 213 :HPAFIDTILQN 2bp1A 201 :YNATTRQVETE T0325 243 :VKEAIEERGILLANY 2bp1A 212 :LFPCLRHFGLRFYAY Number of specific fragments extracted= 15 number of extra gaps= 2 total=1160 Number of alignments=80 # 2bp1A read from 2bp1A/merged-good-all-a2m # found chain 2bp1A in template set Warning: unaligning (T0325)N3 because first residue in template chain is (2bp1A)R38 Warning: unaligning (T0325)K99 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2bp1A)L115 Warning: unaligning (T0325)V100 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2bp1A)L115 Warning: unaligning (T0325)D127 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2bp1A)L141 Warning: unaligning (T0325)S128 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2bp1A)L141 T0325 4 :KKLIINADDFGY 2bp1A 39 :VASVLGTMEMGR T0325 17 :PAVTQGIIEAHKRGVVTSTTALPTSPY 2bp1A 55 :PASAAAVRAFLERGHTELDTAFMYSDG T0325 46 :EAMESARI 2bp1A 82 :QSETILGG T0325 55 :APTLAIGVHLT 2bp1A 96 :GGDCRVKIATK T0325 69 :NQAKPIL 2bp1A 107 :ANPWDGK T0325 101 :NLEEVYNEWDAQIISF 2bp1A 116 :KPDSVRSQLETSLKRL T0325 119 :SGRRPDHI 2bp1A 132 :QCPQVDLF T0325 129 :HHNVHGK 2bp1A 142 :HAPDHGT T0325 137 :K 2bp1A 149 :P T0325 140 :LGVALALARKY 2bp1A 150 :VEETLHACQRL T0325 177 :DEMLYQFYDKAISTETILQLLDMVVCSEGEVFEINC 2bp1A 163 :EGKFVELGLSNYASWEVAEICTLCKSNGWILPTVYQ T0325 213 :HPAFIDTILQN 2bp1A 201 :YNATTRQVETE T0325 243 :VKEAIEERGILLANY 2bp1A 212 :LFPCLRHFGLRFYAY Number of specific fragments extracted= 13 number of extra gaps= 2 total=1173 Number of alignments=81 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1j96A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1j96A expands to /projects/compbio/data/pdb/1j96.pdb.gz 1j96A:Skipped atom 2590, because occupancy 1.000 <= existing 1.000 in 1j96A # T0325 read from 1j96A/merged-good-all-a2m # 1j96A read from 1j96A/merged-good-all-a2m # adding 1j96A to template set # found chain 1j96A in template set Warning: unaligning (T0325)Y166 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1j96A)P226 Warning: unaligning (T0325)L167 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1j96A)P226 T0325 5 :KLIINADDFGYTPAVTQGIIEAHKRGV 1j96A 47 :HHIDSAHVYNNEEQVGLAIRSKIADGS T0325 32 :VTSTTAL 1j96A 79 :IFYTSKL T0325 39 :PTSPYFLEAMESARI 1j96A 90 :HRPELVRPALERSLK T0325 54 :SAPT 1j96A 107 :QLDY T0325 60 :IGVHL 1j96A 111 :VDLYL T0325 66 :LT 1j96A 116 :IH T0325 70 :QAKPILPREMVPS 1j96A 118 :FPVSVKPGEEVIP T0325 84 :VDEAGYFWH 1j96A 131 :KDENGKILF T0325 98 :EKVNLEEVYNEW 1j96A 140 :DTVDLCATWEAM T0325 110 :DAQIISFMKS 1j96A 170 :HRLLEMILNK T0325 120 :GRRPD 1j96A 181 :GLKYK T0325 125 :HIDSHHNVH 1j96A 190 :QVECHPYFN T0325 139 :LLG 1j96A 199 :QRK T0325 143 :ALALARKYQLPLRNASRSIETKD 1j96A 202 :LLDFCKSKDIVLVAYSALGSHRE T0325 168 :ELYQDVRTPDEM 1j96A 227 :WVDPNSPVLLED T0325 191 :ETILQLLDMVVCS 1j96A 239 :PVLCALAKKHKRT T0325 204 :EGEVFEIN 1j96A 262 :QRGVVVLA Number of specific fragments extracted= 17 number of extra gaps= 1 total=1190 Number of alignments=82 # 1j96A read from 1j96A/merged-good-all-a2m # found chain 1j96A in template set Warning: unaligning (T0325)L221 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1j96A)P226 Warning: unaligning (T0325)Q222 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1j96A)P226 T0325 5 :KLIINADDFGYTPAVTQGIIEAHKRGV 1j96A 47 :HHIDSAHVYNNEEQVGLAIRSKIADGS T0325 32 :VTSTTALPT 1j96A 79 :IFYTSKLWS T0325 41 :SPYFLEAMESARISA 1j96A 92 :PELVRPALERSLKNL T0325 57 :TLA 1j96A 107 :QLD T0325 60 :IGVHL 1j96A 111 :VDLYL T0325 66 :LT 1j96A 116 :IH T0325 70 :QAKPILPREMVPS 1j96A 118 :FPVSVKPGEEVIP T0325 84 :VDEAGYFWH 1j96A 131 :KDENGKILF T0325 98 :EKVNLEEVYNEWD 1j96A 140 :DTVDLCATWEAME T0325 115 :SFMKSGR 1j96A 153 :KCKDAGL T0325 123 :PDHIDSHHNVH 1j96A 160 :AKSIGVSNFNH T0325 138 :KLLGVAL 1j96A 171 :RLLEMIL T0325 151 :QLP 1j96A 178 :NKP T0325 172 :DVRTPDEMLYQFYDKAIS 1j96A 181 :GLKYKPVCNQVECHPYFN T0325 190 :T 1j96A 200 :R T0325 195 :QLLDMVVC 1j96A 201 :KLLDFCKS T0325 205 :GEVFEINCHPAFIDTI 1j96A 209 :KDIVLVAYSALGSHRE T0325 223 :NQSGYCMP 1j96A 227 :WVDPNSPV T0325 237 :ILTSQEVKEAIEERGIL 1j96A 235 :LLEDPVLCALAKKHKRT Number of specific fragments extracted= 19 number of extra gaps= 1 total=1209 Number of alignments=83 # 1j96A read from 1j96A/merged-good-all-a2m # found chain 1j96A in template set T0325 5 :KLIINADDFGYTPAVTQGIIEAHKRGV 1j96A 47 :HHIDSAHVYNNEEQVGLAIRSKIADGS T0325 32 :VTSTTAL 1j96A 79 :IFYTSKL T0325 39 :PTSPYFLEAMESARI 1j96A 90 :HRPELVRPALERSLK T0325 55 :APTLA 1j96A 105 :NLQLD T0325 62 :VHLTLTLNQAKPILPREMVPSLVDEAGYF 1j96A 111 :VDLYLIHFPVSVKPGEEVIPKDENGKILF T0325 98 :EKVNLEEVYNEW 1j96A 140 :DTVDLCATWEAM T0325 114 :ISFMKSGRRPDHIDSH 1j96A 152 :EKCKDAGLAKSIGVSN T0325 135 :K 1j96A 168 :F T0325 140 :L 1j96A 169 :N T0325 194 :LQLLDMVVCSEG 1j96A 170 :HRLLEMILNKPG T0325 206 :EVFEINCHPAFIDTI 1j96A 187 :VCNQVECHPYFNQRK T0325 243 :VKEAIEERGILLANY 1j96A 202 :LLDFCKSKDIVLVAY Number of specific fragments extracted= 12 number of extra gaps= 0 total=1221 Number of alignments=84 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ur4A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ur4A expands to /projects/compbio/data/pdb/1ur4.pdb.gz 1ur4A:# T0325 read from 1ur4A/merged-good-all-a2m # 1ur4A read from 1ur4A/merged-good-all-a2m # adding 1ur4A to template set # found chain 1ur4A in template set T0325 23 :IIEAHKRGVVTSTTALP 1ur4A 53 :IFKTLKEAGVNYVRVRI T0325 40 :TSPYFLEAMESARI 1ur4A 87 :DLEKAIQIGKRATA T0325 56 :PTLAIGVHLTLT 1ur4A 101 :NGMKLLADFHYS T0325 72 :KPILPREMVPSL 1ur4A 113 :DFWADPAKQKAP T0325 95 :IFEEKVNLE 1ur4A 125 :KAWANLNFE T0325 104 :EVYNEWDAQIISFMKSGRRPDHIDSHHNVHGKN 1ur4A 138 :ALYQYTKQSLKAMKAAGIDIGMVQVGNETNGGL T0325 137 :KKLLGVALALARKY 1ur4A 180 :SQLFNAGSQAVRET T0325 151 :QLPLRNASRSIETKDYLELY 1ur4A 196 :NILVALHFTNPETSGRYAWI T0325 171 :QDVRT 1ur4A 283 :NGQTL T0325 185 :DKAISTETILQ 1ur4A 288 :NNPVTVQGQAN T0325 196 :LLDMVVCSEGEVFEIN 1ur4A 303 :VIQAVSDVGEAGIGVF T0325 212 :CHPAFID 1ur4A 320 :WEPAWIP T0325 219 :TILQN 1ur4A 329 :PAHRL T0325 241 :QEVKEAIEER 1ur4A 334 :EKNKALWETY Number of specific fragments extracted= 14 number of extra gaps= 0 total=1235 Number of alignments=85 # 1ur4A read from 1ur4A/merged-good-all-a2m # found chain 1ur4A in template set T0325 23 :IIEAHKRGVVTSTTALPT 1ur4A 53 :IFKTLKEAGVNYVRVRIW T0325 41 :SPYFLEAMESARI 1ur4A 88 :LEKAIQIGKRATA T0325 56 :PTLAIGVHLTLT 1ur4A 101 :NGMKLLADFHYS T0325 70 :QAKPILPR 1ur4A 113 :DFWADPAK T0325 91 :WHQSIFEEKVNLE 1ur4A 121 :QKAPKAWANLNFE T0325 104 :EVYNEWDAQIISFMKSGRRPDHIDSHHNVHGKN 1ur4A 138 :ALYQYTKQSLKAMKAAGIDIGMVQVGNETNGGL T0325 137 :KKLLGVALALARKY 1ur4A 180 :SQLFNAGSQAVRET T0325 151 :QLPLRNASRSIETKDYLELY 1ur4A 196 :NILVALHFTNPETSGRYAWI T0325 171 :QDVRT 1ur4A 283 :NGQTL T0325 185 :DKAISTETIL 1ur4A 288 :NNPVTVQGQA T0325 195 :QLLDMVVCSEGEVF 1ur4A 302 :DVIQAVSDVGEAGI T0325 209 :EINCHPAFID 1ur4A 317 :VFYWEPAWIP T0325 219 :TILQN 1ur4A 329 :PAHRL T0325 241 :QEVKEAIEER 1ur4A 334 :EKNKALWETY Number of specific fragments extracted= 14 number of extra gaps= 0 total=1249 Number of alignments=86 # 1ur4A read from 1ur4A/merged-good-all-a2m # found chain 1ur4A in template set T0325 23 :IIEAHKRGVVTSTTA 1ur4A 53 :IFKTLKEAGVNYVRV T0325 40 :TSPYFLEAMESARI 1ur4A 87 :DLEKAIQIGKRATA T0325 56 :PTLAIG 1ur4A 101 :NGMKLL T0325 64 :LTLTLNQAKPILPREMVPSLVDEAGYFWH 1ur4A 107 :ADFHYSDFWADPAKQKAPKAWANLNFEDK T0325 102 :LEEVYNEWDAQIISFMKSGRRPDHIDSHHNVHGK 1ur4A 136 :KTALYQYTKQSLKAMKAAGIDIGMVQVGNETNGG T0325 136 :NKKLLGVALALARKYQLPLRN 1ur4A 179 :MSQLFNAGSQAVRETDSNILV T0325 157 :ASRSIETKDYLEL 1ur4A 202 :HFTNPETSGRYAW T0325 171 :QDVRTPDEMLYQ 1ur4A 281 :PKNGQTLNNPVT T0325 186 :KAISTETILQLLDMVVCSEGEVFEINCH 1ur4A 293 :VQGQANAVRDVIQAVSDVGEAGIGVFYW T0325 214 :PAFID 1ur4A 322 :PAWIP T0325 219 :TILQN 1ur4A 329 :PAHRL T0325 241 :QEVKEAIEER 1ur4A 334 :EKNKALWETY Number of specific fragments extracted= 12 number of extra gaps= 0 total=1261 Number of alignments=87 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1zxxA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1zxxA expands to /projects/compbio/data/pdb/1zxx.pdb.gz 1zxxA:# T0325 read from 1zxxA/merged-good-all-a2m # 1zxxA read from 1zxxA/merged-good-all-a2m # adding 1zxxA to template set # found chain 1zxxA in template set T0325 4 :KKLIINAD 1zxxA 2 :KRIGILTS T0325 13 :FGYTPAVTQGIIEAHK 1zxxA 10 :GGDAPGMNAAVRAVTR T0325 29 :RGVVTSTTA 1zxxA 29 :ANGLEVFGI T0325 41 :SPYFLEAME 1zxxA 38 :RYGFAGLVA T0325 54 :SA 1zxxA 47 :GD T0325 66 :L 1zxxA 49 :I T0325 72 :KP 1zxxA 50 :FP T0325 75 :LPREMVPSLVDEAGYFWH 1zxxA 52 :LESEDVAHLINVSGTFLY T0325 93 :QSIFEE 1zxxA 73 :YPEFAE T0325 103 :EEVYNEWDAQIIS 1zxxA 79 :EEGQLAGIEQLKK T0325 119 :SGRRPDHIDS 1zxxA 92 :HGIDAVVVIG T0325 136 :NKKLLGVALALA 1zxxA 102 :GDGSYHGALQLT T0325 149 :KYQLPLRNASRSI 1zxxA 114 :RHGFNSIGLPGTI T0325 171 :QDVRTP 1zxxA 184 :CGADAI T0325 182 :QFYDKAISTETILQLLDMVVCSEGEVFEINCHPAFIDT 1zxxA 190 :VIPERPYDVEEIANRLKQAQESGKDHGLVVVAEGVMTA T0325 241 :QEVKEAIEER 1zxxA 228 :DQFMAELKKY T0325 251 :GILLANYESL 1zxxA 241 :DVRANVLGHM Number of specific fragments extracted= 17 number of extra gaps= 0 total=1278 Number of alignments=88 # 1zxxA read from 1zxxA/merged-good-all-a2m # found chain 1zxxA in template set T0325 4 :KKLIINAD 1zxxA 2 :KRIGILTS T0325 13 :FGYTPAVTQGIIEAHK 1zxxA 10 :GGDAPGMNAAVRAVTR T0325 29 :RGVVTSTTA 1zxxA 29 :ANGLEVFGI T0325 41 :SPYFLEAME 1zxxA 38 :RYGFAGLVA T0325 54 :SA 1zxxA 47 :GD T0325 72 :K 1zxxA 50 :F T0325 74 :ILPREMVPSLVDEAGYFWHQSI 1zxxA 51 :PLESEDVAHLINVSGTFLYSAR T0325 96 :FEE 1zxxA 76 :FAE T0325 103 :EEVYNEWDAQII 1zxxA 79 :EEGQLAGIEQLK T0325 118 :KSGRRPDHIDS 1zxxA 91 :KHGIDAVVVIG T0325 136 :NKKLLGVALALA 1zxxA 102 :GDGSYHGALQLT T0325 149 :KYQLPLRNASRSIET 1zxxA 114 :RHGFNSIGLPGTIDN T0325 166 :YLELY 1zxxA 129 :DIPYT T0325 171 :QDVRT 1zxxA 184 :CGADA T0325 181 :YQFYDKAISTETILQLLDMVVCSEGEVFEINCHPAFIDT 1zxxA 189 :IVIPERPYDVEEIANRLKQAQESGKDHGLVVVAEGVMTA T0325 241 :QEVKEAIEER 1zxxA 228 :DQFMAELKKY T0325 251 :GILLANYESL 1zxxA 241 :DVRANVLGHM Number of specific fragments extracted= 17 number of extra gaps= 0 total=1295 Number of alignments=89 # 1zxxA read from 1zxxA/merged-good-all-a2m # found chain 1zxxA in template set T0325 4 :KKLIINA 1zxxA 95 :DAVVVIG T0325 16 :TPAVTQGIIEAHKRGV 1zxxA 102 :GDGSYHGALQLTRHGF T0325 33 :TSTTA 1zxxA 118 :NSIGL T0325 38 :LPTSPYFLEAMESARI 1zxxA 144 :MTAMDAIDKIRDTASS T0325 55 :APT 1zxxA 160 :HHR T0325 60 :IGVH 1zxxA 163 :VFIV T0325 65 :TL 1zxxA 167 :NV T0325 82 :SLVDE 1zxxA 169 :MGRNC T0325 89 :YFWHQSIFE 1zxxA 174 :GDIAMRVGV T0325 98 :EKVNLEEVYNEWDA 1zxxA 194 :RPYDVEEIANRLKQ T0325 116 :FMKSGRRPDHI 1zxxA 208 :AQESGKDHGLV T0325 132 :VHGKNKKLLGVALALARKYQ 1zxxA 219 :VVAEGVMTADQFMAELKKYG T0325 152 :LPLRNASRSIETKDYLEL 1zxxA 240 :FDVRANVLGHMQRGGTPT T0325 177 :DE 1zxxA 258 :VS T0325 185 :DKAISTETILQLLDMVVCSEGEVFEI 1zxxA 260 :DRVLASKLGSEAVHLLLEGKGGLAVG Number of specific fragments extracted= 15 number of extra gaps= 0 total=1310 Number of alignments=90 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1xm8A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0325 read from 1xm8A/merged-good-all-a2m # 1xm8A read from 1xm8A/merged-good-all-a2m # found chain 1xm8A in training set T0325 100 :VNLEEVYNEWDA 1xm8A 31 :SEAEPIIDSLKR T0325 119 :SGRRPDHIDSHH 1xm8A 43 :SGRNLTYILNTH T0325 135 :KNKKLLGVALALARKYQLPLRNASRSIETKDYLELY 1xm8A 55 :HHYDHTGGNLELKDRYGAKVIGSAMDKDRIPGIDMA T0325 185 :DKAISTETILQLLDMVVCSEGEV 1xm8A 141 :LFEGTPKQMLASLQKITSLPDDT T0325 209 :EINC 1xm8A 164 :SIYC T0325 224 :QSGYCMPRIREVEILT 1xm8A 168 :GHEYTLSNSKFALSLE T0325 240 :SQEVKEAIEE 1xm8A 186 :NEVLQSYAAH Number of specific fragments extracted= 7 number of extra gaps= 0 total=1317 Number of alignments=91 # 1xm8A read from 1xm8A/merged-good-all-a2m # found chain 1xm8A in training set T0325 100 :VNLEEVYNEWDA 1xm8A 31 :SEAEPIIDSLKR T0325 119 :SGRRPDHIDSHH 1xm8A 43 :SGRNLTYILNTH T0325 135 :KNKKLLGVALALARKYQLPLRNASRSIETKDY 1xm8A 55 :HHYDHTGGNLELKDRYGAKVIGSAMDKDRIPG T0325 170 :Y 1xm8A 87 :I T0325 184 :YDKAISTETILQLLDMVVCSEGEVF 1xm8A 140 :KLFEGTPKQMLASLQKITSLPDDTS T0325 210 :INCHP 1xm8A 165 :IYCGH T0325 229 :MPRIREVEILTS 1xm8A 170 :EYTLSNSKFALS T0325 241 :QEVKEAIEE 1xm8A 187 :EVLQSYAAH Number of specific fragments extracted= 8 number of extra gaps= 0 total=1325 Number of alignments=92 # 1xm8A read from 1xm8A/merged-good-all-a2m # found chain 1xm8A in training set T0325 101 :NLEEVYNEWDA 1xm8A 32 :EAEPIIDSLKR T0325 119 :SGRRPDHIDSH 1xm8A 43 :SGRNLTYILNT T0325 133 :HGK 1xm8A 54 :HHH T0325 137 :KKLLGVALALARKYQLPLRNASRSIETKDYLEL 1xm8A 57 :YDHTGGNLELKDRYGAKVIGSAMDKDRIPGIDM T0325 184 :YDKAISTETILQLLDMVVCSEGEVFEINCHPAFID 1xm8A 140 :KLFEGTPKQMLASLQKITSLPDDTSIYCGHEYTLS T0325 219 :TILQNQSGY 1xm8A 177 :KFALSLEPN T0325 240 :SQEVKEAIEE 1xm8A 186 :NEVLQSYAAH Number of specific fragments extracted= 7 number of extra gaps= 0 total=1332 Number of alignments=93 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2gjlA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0325/2gjlA/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0325/2gjlA/merged-good-all-a2m.gz for input Trying 2gjlA/merged-good-all-a2m Error: Couldn't open file 2gjlA/merged-good-all-a2m or 2gjlA/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1fobA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0325 read from 1fobA/merged-good-all-a2m # 1fobA read from 1fobA/merged-good-all-a2m # found chain 1fobA in training set T0325 23 :IIEAHKRGVVTSTTALP 1fobA 32 :LETILADAGINSIRQRV T0325 40 :TSPYFLEAMESARIS 1fobA 58 :DLDYNLELAKRVKAA T0325 57 :TLAIGVHLTLTLNQA 1fobA 73 :GMSLYLDLHLSDTWA T0325 76 :PREMVPSL 1fobA 88 :DPSDQTTP T0325 86 :EA 1fobA 96 :SG T0325 97 :EEKVNLE 1fobA 98 :WSTTDLG T0325 104 :EVYNEWDAQIISFMKSGRRPDHIDSHHNVHG 1fobA 109 :QLYNYTLEVCNTFAENDIDIEIISIGNEIRA T0325 135 :KNKK 1fobA 142 :LWPL T0325 139 :LLGVALALARKYQL 1fobA 157 :LLHSGAWGVKDSNL T0325 153 :PLRNASRSIETKDYLELY 1fobA 175 :KIMIHLDDGWSWDQQNYF T0325 171 :QDVRTPDEMLYQ 1fobA 199 :TGELLSTDFDYF T0325 183 :FYDKAISTETILQLLDMVVCSEGEVFEIN 1fobA 217 :FYSASATLASLKTSLANLQSTYDKPVVVV T0325 212 :CHPAFID 1fobA 248 :NWPVSCP T0325 219 :TILQNQSGYCMPRIREVEILT 1fobA 259 :AFPSDLSSIPFSVAGQQEFLE T0325 242 :EVKEAIEERGILLAN 1fobA 280 :KLAAVVEATTDGLGV Number of specific fragments extracted= 15 number of extra gaps= 0 total=1347 Number of alignments=94 # 1fobA read from 1fobA/merged-good-all-a2m # found chain 1fobA in training set T0325 23 :IIEAHKRGVVTSTTALPT 1fobA 32 :LETILADAGINSIRQRVW T0325 41 :SPYFLEAMESARIS 1fobA 59 :LDYNLELAKRVKAA T0325 57 :TLAIGVHLTLT 1fobA 73 :GMSLYLDLHLS T0325 70 :QAK 1fobA 84 :DTW T0325 75 :LPREMV 1fobA 87 :ADPSDQ T0325 84 :VDEAG 1fobA 93 :TTPSG T0325 97 :EEKVNLE 1fobA 98 :WSTTDLG T0325 104 :EVYNEWDAQIISFMKSGRRPDHIDSHHNVHG 1fobA 109 :QLYNYTLEVCNTFAENDIDIEIISIGNEIRA T0325 135 :KNKK 1fobA 142 :LWPL T0325 139 :LLGVALALARKYQLP 1fobA 157 :LLHSGAWGVKDSNLA T0325 154 :LRNASRSIETKDYLELY 1fobA 177 :MIHLDDGWSWDQQNYFY T0325 171 :QDVRTPDEMLYQ 1fobA 199 :TGELLSTDFDYF T0325 183 :FYDKAISTETILQLLDMV 1fobA 217 :FYSASATLASLKTSLANL T0325 201 :VCSEGEVFEINCH 1fobA 236 :STYDKPVVVVETN T0325 214 :PAFID 1fobA 250 :PVSCP T0325 219 :TILQNQSGYCMPRIREVEILT 1fobA 259 :AFPSDLSSIPFSVAGQQEFLE T0325 242 :EVKEAIEERGILLANY 1fobA 280 :KLAAVVEATTDGLGVY Number of specific fragments extracted= 17 number of extra gaps= 0 total=1364 Number of alignments=95 # 1fobA read from 1fobA/merged-good-all-a2m # found chain 1fobA in training set T0325 23 :IIEAHKRGVVTSTTALPTS 1fobA 32 :LETILADAGINSIRQRVWV T0325 42 :PYFLEAMESARI 1fobA 60 :DYNLELAKRVKA T0325 56 :PTLAIGVHLTLTLNQAKPILPREMVPSLVD 1fobA 72 :AGMSLYLDLHLSDTWADPSDQTTPSGWSTT T0325 90 :FWHQS 1fobA 102 :DLGTL T0325 102 :LEEVYNEWDAQIISFMKSGRRPDHIDSHHNVHGKN 1fobA 107 :KWQLYNYTLEVCNTFAENDIDIEIISIGNEIRAGL T0325 138 :KLLGVALALARKYQLP 1fobA 156 :ALLHSGAWGVKDSNLA T0325 154 :LRNASRSIETKDYLEL 1fobA 176 :IMIHLDDGWSWDQQNY T0325 170 :YQDVRTPDEMLYQ 1fobA 197 :LATGELLSTDFDY T0325 183 :FYDKAISTETILQLLDMVVCSEGEVFEINCHPAFID 1fobA 217 :FYSASATLASLKTSLANLQSTYDKPVVVVETNWPVS T0325 219 :TILQNQSGYCMPRIREVEILT 1fobA 259 :AFPSDLSSIPFSVAGQQEFLE T0325 242 :EVKEAIEERGILLA 1fobA 280 :KLAAVVEATTDGLG Number of specific fragments extracted= 11 number of extra gaps= 0 total=1375 Number of alignments=96 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1o98A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0325 read from 1o98A/merged-good-all-a2m # 1o98A read from 1o98A/merged-good-all-a2m # found chain 1o98A in training set T0325 3 :NKKLIINADDFGYTP 1o98A 4 :KPVALIILDGFALRD T0325 22 :GIIE 1o98A 24 :AVAQ T0325 39 :PTSPYFLEAME 1o98A 28 :ANKPNFDRYWN T0325 54 :SAP 1o98A 39 :EYP T0325 63 :HLTLT 1o98A 42 :HTTLK T0325 74 :ILPR 1o98A 47 :ACGE T0325 79 :M 1o98A 51 :A T0325 81 :PSL 1o98A 52 :VGL T0325 86 :EAGYFWH 1o98A 55 :PEGQMGN T0325 94 :SIFEEK 1o98A 84 :IAIREG T0325 107 :NEWDAQIISFMKSGRRPDHIDS 1o98A 95 :ETFLAAMNHVKQHGTSLHLFGL T0325 131 :NVH 1o98A 121 :GVH T0325 135 :KNKKLLGVALALARKYQLPLR 1o98A 124 :SHIHHLYALLRLAAKEGVKRV T0325 156 :NASRSIETKDYLELY 1o98A 150 :LDGRDVGPQTAPQYI T0325 171 :QDVRTPDEML 1o98A 363 :PKVPTYDLKP T0325 187 :AISTETILQ 1o98A 373 :EMSAYEVTD T0325 196 :LLDMVVCSEGEVFEINC 1o98A 383 :LLKEIEADKYDAIILNY T0325 217 :IDTILQNQSGYCMPRIREVEILTS 1o98A 400 :ANPDMVGHSGKLEPTIKAVEAVDE T0325 242 :EVKEAIEERGILLA 1o98A 427 :KVVDAILAKGGIAI Number of specific fragments extracted= 19 number of extra gaps= 0 total=1394 Number of alignments=97 # 1o98A read from 1o98A/merged-good-all-a2m # found chain 1o98A in training set T0325 2 :SNKKLIINADDFGYTP 1o98A 3 :KKPVALIILDGFALRD T0325 22 :GIIE 1o98A 24 :AVAQ T0325 39 :PTSPYFLEAME 1o98A 28 :ANKPNFDRYWN T0325 54 :SAP 1o98A 39 :EYP T0325 63 :HLTLT 1o98A 42 :HTTLK T0325 75 :LPREMV 1o98A 47 :ACGEAV T0325 82 :SL 1o98A 53 :GL T0325 86 :EAGYFWHQSI 1o98A 55 :PEGQMGNSEV T0325 97 :EEK 1o98A 87 :REG T0325 107 :NEWDAQIISFMKSGRRPDHIDS 1o98A 95 :ETFLAAMNHVKQHGTSLHLFGL T0325 131 :NVH 1o98A 121 :GVH T0325 135 :KNKKLLGVALALARKYQLPLR 1o98A 124 :SHIHHLYALLRLAAKEGVKRV T0325 156 :NASRSIETKDYLELY 1o98A 153 :RDVGPQTAPQYIKEL T0325 171 :QDVRTPDE 1o98A 363 :PKVPTYDL T0325 185 :DKAISTETILQ 1o98A 371 :KPEMSAYEVTD T0325 196 :LLDMVVCSEGEVFEINC 1o98A 383 :LLKEIEADKYDAIILNY T0325 217 :IDTILQNQSGYCMPRIREVEILTS 1o98A 400 :ANPDMVGHSGKLEPTIKAVEAVDE T0325 241 :QEVKEAIEERGILLA 1o98A 426 :GKVVDAILAKGGIAI Number of specific fragments extracted= 18 number of extra gaps= 0 total=1412 Number of alignments=98 # 1o98A read from 1o98A/merged-good-all-a2m # found chain 1o98A in training set T0325 13 :FGYTPAVTQGIIEAHKRGV 1o98A 91 :FDRNETFLAAMNHVKQHGT T0325 32 :VTSTTALPTS 1o98A 111 :LHLFGLLSDG T0325 42 :PYFLEAMESARI 1o98A 127 :HHLYALLRLAAK T0325 56 :PTL 1o98A 139 :EGV T0325 59 :AIGVHLTLTLNQAKPIL 1o98A 143 :RVYIHGFLDGRDVGPQT T0325 91 :W 1o98A 160 :A T0325 93 :QSI 1o98A 161 :PQY T0325 102 :LEEVYNEWD 1o98A 164 :IKELQEKIK T0325 118 :KSGR 1o98A 173 :EYGV T0325 122 :RPDHIDSHHNVHGK 1o98A 178 :EIATLSGRYYSMDR T0325 137 :KKLLGVALALA 1o98A 192 :DKRWDRVEKAY T0325 170 :YQDVRTPDEMLYQFYDKAISTETILQLLDMVVCSEGEVFEINC 1o98A 357 :RILINSPKVPTYDLKPEMSAYEVTDALLKEIEADKYDAIILNY T0325 217 :IDTILQNQSGYCMPRIREVEILTS 1o98A 400 :ANPDMVGHSGKLEPTIKAVEAVDE T0325 242 :EVKEAIEERGILLA 1o98A 427 :KVVDAILAKGGIAI Number of specific fragments extracted= 14 number of extra gaps= 0 total=1426 Number of alignments=99 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1n7kA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1n7kA expands to /projects/compbio/data/pdb/1n7k.pdb.gz 1n7kA:# T0325 read from 1n7kA/merged-good-all-a2m # 1n7kA read from 1n7kA/merged-good-all-a2m # adding 1n7kA to template set # found chain 1n7kA in template set T0325 17 :PAVTQGIIEAHKRGVVTSTT 1n7kA 37 :EDVRNLVREASDYGFRCAVL T0325 40 :TSPYFLEAMESARIS 1n7kA 57 :TPVYTVKISGLAEKL T0325 57 :TLAIGV 1n7kA 72 :GVKLCS T0325 65 :TLTLNQA 1n7kA 78 :VIGFPLG T0325 99 :KVNLEEVYNEW 1n7kA 85 :QAPLEVKLVEA T0325 114 :ISFMKSG 1n7kA 96 :QTVLEAG T0325 123 :PDHIDSHHNVHGKNKKLLGVAL 1n7kA 103 :ATELDVVPHLSLGPEAVYREVS T0325 145 :ALARKYQLPLRNASRSIE 1n7kA 128 :KLAKSYGAVVKVILEAPL T0325 188 :ISTETILQLLDMVVCS 1n7kA 146 :WDDKTLSLLVDSSRRA T0325 206 :EVFEINCHPAFID 1n7kA 162 :GADIVKTSTGVYT T0325 230 :PRIREV 1n7kA 178 :DPVTVF T0325 242 :EVKEAIEERGILLANYESLAM 1n7kA 184 :RLASLAKPLGMGVKASGGIRS Number of specific fragments extracted= 12 number of extra gaps= 0 total=1438 Number of alignments=100 # 1n7kA read from 1n7kA/merged-good-all-a2m # found chain 1n7kA in template set T0325 17 :PAVTQGIIEAHKRGVVTSTT 1n7kA 37 :EDVRNLVREASDYGFRCAVL T0325 40 :TSPYFLEAMESARIS 1n7kA 57 :TPVYTVKISGLAEKL T0325 57 :TLAIGV 1n7kA 72 :GVKLCS T0325 65 :TLTLNQA 1n7kA 78 :VIGFPLG T0325 76 :P 1n7kA 85 :Q T0325 100 :VNLEEVYNEW 1n7kA 86 :APLEVKLVEA T0325 114 :ISFMKSG 1n7kA 96 :QTVLEAG T0325 123 :PDHIDSHHNVHGKNKKLLGVAL 1n7kA 103 :ATELDVVPHLSLGPEAVYREVS T0325 145 :ALARKYQLPLRNA 1n7kA 128 :KLAKSYGAVVKVI T0325 174 :RTPD 1n7kA 141 :LEAP T0325 187 :AISTETILQLLDMVVCS 1n7kA 145 :LWDDKTLSLLVDSSRRA T0325 206 :EVFEINCHPAFID 1n7kA 162 :GADIVKTSTGVYT T0325 230 :PRIREV 1n7kA 178 :DPVTVF T0325 242 :EVKEAIEERGILLANYESLAM 1n7kA 184 :RLASLAKPLGMGVKASGGIRS Number of specific fragments extracted= 14 number of extra gaps= 0 total=1452 Number of alignments=101 # 1n7kA read from 1n7kA/merged-good-all-a2m # found chain 1n7kA in template set T0325 17 :PAVTQGIIEAHKRGVVTSTT 1n7kA 37 :EDVRNLVREASDYGFRCAVL T0325 40 :TSPYFLEAMESARI 1n7kA 57 :TPVYTVKISGLAEK T0325 56 :PTLAIGV 1n7kA 71 :LGVKLCS T0325 67 :TLNQAKPI 1n7kA 78 :VIGFPLGQ T0325 100 :VNLEEVYNEW 1n7kA 86 :APLEVKLVEA T0325 114 :ISFMKSG 1n7kA 96 :QTVLEAG T0325 123 :PDHIDSHHNVHGKNKKLLGVA 1n7kA 103 :ATELDVVPHLSLGPEAVYREV T0325 144 :LALARKYQLPLRNA 1n7kA 127 :VKLAKSYGAVVKVI T0325 183 :FYDKAISTETILQLLDMVVCS 1n7kA 141 :LEAPLWDDKTLSLLVDSSRRA T0325 206 :EVFEINCHPAFID 1n7kA 162 :GADIVKTSTGVYT T0325 232 :IREV 1n7kA 180 :VTVF T0325 242 :EVKEAIEERGILLANYESLA 1n7kA 184 :RLASLAKPLGMGVKASGGIR Number of specific fragments extracted= 12 number of extra gaps= 0 total=1464 Number of alignments=102 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2cc0A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2cc0A expands to /projects/compbio/data/pdb/2cc0.pdb.gz 2cc0A:Skipped atom 13, because occupancy 0.200 <= existing 0.800 in 2cc0A Skipped atom 17, because occupancy 0.200 <= existing 0.800 in 2cc0A Skipped atom 19, because occupancy 0.200 <= existing 0.800 in 2cc0A Skipped atom 120, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 124, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 126, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 346, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 350, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 352, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 523, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 527, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 529, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 531, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 533, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 626, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 630, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 632, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 635, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 639, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 641, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 643, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 645, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 647, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 649, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 651, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 732, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 736, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 738, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 740, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 742, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 744, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 862, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 863, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 867, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 868, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 870, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 871, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 951, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 955, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 957, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 959, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 961, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 1100, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 1104, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 1106, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 1108, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 1110, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 1112, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 1378, because occupancy 0.200 <= existing 0.800 in 2cc0A Skipped atom 1382, because occupancy 0.200 <= existing 0.800 in 2cc0A Skipped atom 1384, because occupancy 0.200 <= existing 0.800 in 2cc0A Skipped atom 1397, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 1401, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 1403, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 1405, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 1407, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 1431, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 1435, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 1437, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 1439, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 1441, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 1443, because occupancy 0.500 <= existing 0.500 in 2cc0A Skipped atom 1457, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 1458, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 1462, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 1463, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 1465, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 1466, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 1468, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 1469, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 1471, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 1472, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 1474, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 1475, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 1477, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 1478, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 1480, because occupancy 0.330 <= existing 0.330 in 2cc0A Skipped atom 1481, because occupancy 0.330 <= existing 0.330 in 2cc0A # T0325 read from 2cc0A/merged-good-all-a2m # 2cc0A read from 2cc0A/merged-good-all-a2m # adding 2cc0A to template set # found chain 2cc0A in template set Warning: unaligning (T0325)D11 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2cc0A)D13 Warning: unaligning (T0325)D12 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2cc0A)D13 Warning: unaligning (T0325)Y15 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2cc0A)S16 Warning: unaligning (T0325)T16 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2cc0A)S16 T0325 2 :SNKKLIINA 2cc0A 3 :CNGYVGLTF T0325 14 :G 2cc0A 14 :G T0325 17 :PAVTQGIIEAHKRG 2cc0A 17 :GSTQSLLNALRQNG T0325 32 :VTS 2cc0A 31 :LRA T0325 36 :TALPTSPYFL 2cc0A 34 :TMFNQGQYAA T0325 46 :EAMESAR 2cc0A 47 :SLVRAQV T0325 54 :S 2cc0A 54 :D T0325 56 :PTLAIGVH 2cc0A 55 :AGMWVANH T0325 67 :T 2cc0A 63 :S T0325 70 :QAK 2cc0A 64 :YTH T0325 81 :PSL 2cc0A 67 :PHM T0325 98 :EKVNLEEVYNEWDAQIISFMKS 2cc0A 70 :TQLGQAQMDSEISRTQQAIAGA T0325 120 :GRRPDHID 2cc0A 93 :GGTPKLFR T0325 133 :H 2cc0A 101 :P T0325 135 :KNKKLLGVALALARKYQLPLRNASRSIE 2cc0A 102 :PYGETNATLRSVEAKYGLTEVIWDVDSQ T0325 177 :DE 2cc0A 130 :DW T0325 186 :KAISTETILQLLDMV 2cc0A 132 :NNASTDAIVQAVSRL T0325 204 :EGEVFEINCH 2cc0A 147 :GNGQVILMHD T0325 227 :YC 2cc0A 157 :WP T0325 232 :IREVEIL 2cc0A 159 :ANTLAAI T0325 241 :QEVKEAIEERGILLA 2cc0A 166 :PRIAQTLAGKGLCSG Number of specific fragments extracted= 21 number of extra gaps= 2 total=1485 Number of alignments=103 # 2cc0A read from 2cc0A/merged-good-all-a2m # found chain 2cc0A in template set Warning: unaligning (T0325)D11 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2cc0A)D13 Warning: unaligning (T0325)D12 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2cc0A)D13 Warning: unaligning (T0325)Y15 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2cc0A)S16 Warning: unaligning (T0325)T16 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2cc0A)S16 T0325 2 :SNKKLIINA 2cc0A 3 :CNGYVGLTF T0325 14 :G 2cc0A 14 :G T0325 17 :PAVTQGIIEAHKRGV 2cc0A 17 :GSTQSLLNALRQNGL T0325 33 :T 2cc0A 32 :R T0325 35 :TTALPTSPYFL 2cc0A 33 :ATMFNQGQYAA T0325 46 :EAMESARI 2cc0A 47 :SLVRAQVD T0325 56 :PTLAIGVH 2cc0A 55 :AGMWVANH T0325 67 :T 2cc0A 63 :S T0325 70 :QAKP 2cc0A 64 :YTHP T0325 82 :SL 2cc0A 68 :HM T0325 98 :EKVNLEEVYNEWDAQIISFMKS 2cc0A 70 :TQLGQAQMDSEISRTQQAIAGA T0325 120 :GRRPDHID 2cc0A 93 :GGTPKLFR T0325 133 :H 2cc0A 101 :P T0325 135 :KNKKLLGVALALARKYQLPLRNASRS 2cc0A 102 :PYGETNATLRSVEAKYGLTEVIWDVD T0325 175 :TPDE 2cc0A 128 :SQDW T0325 186 :KAISTETILQLLDMV 2cc0A 132 :NNASTDAIVQAVSRL T0325 204 :EGEVF 2cc0A 147 :GNGQV T0325 210 :INCHP 2cc0A 152 :ILMHD T0325 230 :PRIREVEIL 2cc0A 157 :WPANTLAAI T0325 241 :QEVKEAIEERGILLA 2cc0A 166 :PRIAQTLAGKGLCSG Number of specific fragments extracted= 20 number of extra gaps= 2 total=1505 Number of alignments=104 # 2cc0A read from 2cc0A/merged-good-all-a2m # found chain 2cc0A in template set Warning: unaligning (T0325)D11 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2cc0A)D13 Warning: unaligning (T0325)D12 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2cc0A)D13 Warning: unaligning (T0325)Y15 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2cc0A)S16 Warning: unaligning (T0325)T16 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2cc0A)S16 T0325 2 :SNKKLIINA 2cc0A 3 :CNGYVGLTF T0325 14 :G 2cc0A 14 :G T0325 17 :PAVTQGIIEAHKRG 2cc0A 17 :GSTQSLLNALRQNG T0325 32 :VTS 2cc0A 31 :LRA T0325 36 :TALPTSPYFL 2cc0A 34 :TMFNQGQYAA T0325 46 :EAMESARI 2cc0A 47 :SLVRAQVD T0325 56 :PTLAIGVH 2cc0A 55 :AGMWVANH T0325 71 :AKPILP 2cc0A 63 :SYTHPH T0325 97 :EEKVNLEEVYNEWDAQIISFMK 2cc0A 69 :MTQLGQAQMDSEISRTQQAIAG T0325 119 :SGRRPDHID 2cc0A 92 :GGGTPKLFR T0325 133 :HGK 2cc0A 101 :PPY T0325 137 :KKLLGVALALARKYQLPLRNASRSIETKDYLE 2cc0A 104 :GETNATLRSVEAKYGLTEVIWDVDSQDWNNAS T0325 193 :ILQLLDMVVCSEGEVFEINCH 2cc0A 136 :TDAIVQAVSRLGNGQVILMHD T0325 216 :FI 2cc0A 157 :WP T0325 232 :IREVEIL 2cc0A 159 :ANTLAAI T0325 241 :QEVKEAIEERGILL 2cc0A 166 :PRIAQTLAGKGLCS Number of specific fragments extracted= 16 number of extra gaps= 2 total=1521 Number of alignments=105 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2amxA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2amxA expands to /projects/compbio/data/pdb/2amx.pdb.gz 2amxA:# T0325 read from 2amxA/merged-good-all-a2m # 2amxA read from 2amxA/merged-good-all-a2m # adding 2amxA to template set # found chain 2amxA in template set Warning: unaligning (T0325)P73 because first residue in template chain is (2amxA)G13 Warning: unaligning (T0325)D124 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2amxA)K51 Warning: unaligning (T0325)H125 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2amxA)K51 T0325 74 :ILPREMVPSLVDEA 2amxA 14 :LVPRGSEIKFLKKE T0325 93 :QSIFEEKVNLEEVYNEWDA 2amxA 30 :QNIDLNGMSKKERYEIWRR T0325 123 :P 2amxA 49 :I T0325 126 :IDSHHNVHGKNK 2amxA 52 :VELHCHLDLTFS T0325 140 :LGVALALARKYQLP 2amxA 64 :AEFFLKWARKYNLQ T0325 159 :RSIETKDYLELY 2amxA 78 :PNMSDDEILDHY T0325 183 :FYDKAISTETILQLLDMVVC 2amxA 108 :VSDLYRDYDFIEDLAKWAVI T0325 204 :EGEVFEINC 2amxA 131 :KEGVVLMEF T0325 216 :FIDTILQN 2amxA 140 :RYSPTFVS T0325 225 :SGYCMPRIREVEILTS 2amxA 148 :SSYGLDVELIHKAFIK T0325 242 :EVKEAIEERG 2amxA 164 :GIKNATELLN T0325 252 :ILLAN 2amxA 176 :IHVAL Number of specific fragments extracted= 12 number of extra gaps= 1 total=1533 Number of alignments=106 # 2amxA read from 2amxA/merged-good-all-a2m # found chain 2amxA in template set Warning: unaligning (T0325)P73 because first residue in template chain is (2amxA)G13 Warning: unaligning (T0325)D124 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2amxA)K51 Warning: unaligning (T0325)H125 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2amxA)K51 T0325 74 :ILPREMVP 2amxA 14 :LVPRGSEI T0325 89 :YFWHQSI 2amxA 22 :KFLKKED T0325 96 :FEEKVNLEEVYNEWDA 2amxA 33 :DLNGMSKKERYEIWRR T0325 123 :P 2amxA 49 :I T0325 126 :IDSHHNVHGKNK 2amxA 52 :VELHCHLDLTFS T0325 140 :LGVALALARKYQLP 2amxA 64 :AEFFLKWARKYNLQ T0325 159 :RSIETKDYLELY 2amxA 78 :PNMSDDEILDHY T0325 171 :QDVRTPDEM 2amxA 214 :GREIDLKDH T0325 190 :TETILQLLD 2amxA 223 :KDVYHSVRD T0325 205 :GEV 2amxA 232 :HGL T0325 209 :EINCHPAFI 2amxA 235 :HLTVHAGED T0325 223 :NQSGYCMPRIREVEILT 2amxA 244 :ATLPNLNTLYTAINILN T0325 240 :SQEVKEAIEERGILLAN 2amxA 273 :SDELIELVKKKDILLEV Number of specific fragments extracted= 13 number of extra gaps= 1 total=1546 Number of alignments=107 # 2amxA read from 2amxA/merged-good-all-a2m # found chain 2amxA in template set Warning: unaligning (T0325)D124 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2amxA)K51 Warning: unaligning (T0325)H125 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2amxA)K51 T0325 97 :EEKVNLEEVYNEWDA 2amxA 34 :LNGMSKKERYEIWRR T0325 123 :P 2amxA 49 :I T0325 126 :IDSHHNVHGKNK 2amxA 52 :VELHCHLDLTFS T0325 140 :LGVALALARKYQLPL 2amxA 64 :AEFFLKWARKYNLQP T0325 158 :SRSIETKDYLELYQDVRTPDEMLYQ 2amxA 79 :NMSDDEILDHYLFTKEGKSLAEFIR T0325 183 :FYDKAISTETILQLLDMVV 2amxA 108 :VSDLYRDYDFIEDLAKWAV T0325 202 :CSEGEVFEINC 2amxA 129 :KYKEGVVLMEF T0325 216 :FIDTILQN 2amxA 140 :RYSPTFVS T0325 225 :SGYCMPRIREVEIL 2amxA 148 :SSYGLDVELIHKAF T0325 244 :KEAIEE 2amxA 162 :IKGIKN T0325 251 :G 2amxA 173 :N T0325 252 :ILL 2amxA 176 :IHV Number of specific fragments extracted= 12 number of extra gaps= 1 total=1558 Number of alignments=108 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1h1yA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1h1yA expands to /projects/compbio/data/pdb/1h1y.pdb.gz 1h1yA:# T0325 read from 1h1yA/merged-good-all-a2m # 1h1yA read from 1h1yA/merged-good-all-a2m # adding 1h1yA to template set # found chain 1h1yA in template set T0325 5 :K 1h1yA 7 :K T0325 8 :INADDFGYT 1h1yA 8 :IAPSMLSSD T0325 17 :PAVTQGIIEAHKRGVVTSTTALPTSPYF 1h1yA 18 :ANLAAEADRMVRLGADWLHMDIMDGHFV T0325 45 :LEAMESARISA 1h1yA 52 :APVIQSLRKHT T0325 57 :TLAIGVHLTLT 1h1yA 63 :KAYLDCHLMVT T0325 76 :PREMV 1h1yA 74 :NPSDY T0325 113 :IISFMKSG 1h1yA 79 :VEPLAKAG T0325 123 :PDHIDSHHNVHG 1h1yA 87 :ASGFTFHIEVSR T0325 137 :KKLLG 1h1yA 99 :DNWQE T0325 143 :ALALARKYQLPL 1h1yA 104 :LIQSIKAKGMRP T0325 155 :RNASRSIETKDYLEL 1h1yA 117 :VSLRPGTPVEEVFPL T0325 171 :QDVRTPDEML 1h1yA 151 :GGQKFMPEMM T0325 191 :ETILQLLDMV 1h1yA 161 :EKVRALRKKY T0325 204 :EGEVFEIN 1h1yA 171 :PSLDIEVD T0325 212 :CHPAFIDTILQNQS 1h1yA 181 :LGPSTIDVAASAGA T0325 226 :GYCM 1h1yA 205 :GAAE T0325 231 :RIREVE 1h1yA 209 :PGEVIS T0325 242 :EVKEAIEE 1h1yA 215 :ALRKSVEG Number of specific fragments extracted= 18 number of extra gaps= 0 total=1576 Number of alignments=109 # 1h1yA read from 1h1yA/merged-good-all-a2m # found chain 1h1yA in template set T0325 7 :IINADDFGYT 1h1yA 7 :KIAPSMLSSD T0325 17 :PAVTQGIIEAHKRGVVTSTTALPTSPY 1h1yA 18 :ANLAAEADRMVRLGADWLHMDIMDGHF T0325 45 :LEAMESARISA 1h1yA 52 :APVIQSLRKHT T0325 57 :TLAIGVHLTLT 1h1yA 63 :KAYLDCHLMVT T0325 76 :PREMV 1h1yA 74 :NPSDY T0325 113 :IISFMKSG 1h1yA 79 :VEPLAKAG T0325 123 :PDHIDSHHNVHG 1h1yA 87 :ASGFTFHIEVSR T0325 137 :KK 1h1yA 99 :DN T0325 140 :LGVALALARKYQLPLRNASRSIETKDYLELY 1h1yA 101 :WQELIQSIKAKGMRPGVSLRPGTPVEEVFPL T0325 171 :QDVRTPDEM 1h1yA 151 :GGQKFMPEM T0325 190 :TETILQLLDMV 1h1yA 160 :MEKVRALRKKY T0325 204 :EGEVFEINCHPA 1h1yA 171 :PSLDIEVDGGLG T0325 216 :FID 1h1yA 185 :TID T0325 219 :TILQNQSGYCMPRI 1h1yA 201 :SSIFGAAEPGEVIS T0325 242 :EVKEAIEE 1h1yA 215 :ALRKSVEG Number of specific fragments extracted= 15 number of extra gaps= 0 total=1591 Number of alignments=110 # 1h1yA read from 1h1yA/merged-good-all-a2m # found chain 1h1yA in template set T0325 32 :VTSTTALPTSPYFLEAMESARI 1h1yA 8 :IAPSMLSSDFANLAAEADRMVR T0325 56 :PTLAI 1h1yA 30 :LGADW T0325 62 :VHLTLTLNQAKPILP 1h1yA 35 :LHMDIMDGHFVPNLT T0325 100 :VNLEEVYN 1h1yA 50 :IGAPVIQS T0325 116 :FMKSGR 1h1yA 58 :LRKHTK T0325 124 :DHIDSHHNVHGK 1h1yA 64 :AYLDCHLMVTNP T0325 137 :KKLLGVALAL 1h1yA 76 :SDYVEPLAKA T0325 147 :ARKYQLPLRNASRSIETKDYLEL 1h1yA 108 :IKAKGMRPGVSLRPGTPVEEVFP T0325 170 :YQDVRTPDEML 1h1yA 146 :VEPGFGGQKFM T0325 190 :TETILQLLDMVVCSEGEVFEIN 1h1yA 157 :PEMMEKVRALRKKYPSLDIEVD T0325 212 :CHPAFID 1h1yA 181 :LGPSTID T0325 219 :TILQNQSG 1h1yA 201 :SSIFGAAE T0325 234 :EVEILT 1h1yA 209 :PGEVIS T0325 242 :EVKEAIEE 1h1yA 215 :ALRKSVEG Number of specific fragments extracted= 14 number of extra gaps= 0 total=1605 Number of alignments=111 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vcoA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1vcoA expands to /projects/compbio/data/pdb/1vco.pdb.gz 1vcoA:# T0325 read from 1vcoA/merged-good-all-a2m # 1vcoA read from 1vcoA/merged-good-all-a2m # adding 1vcoA to template set # found chain 1vcoA in template set Warning: unaligning (T0325)I217 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vcoA)D314 Warning: unaligning (T0325)G226 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vcoA)D314 Warning: unaligning (T0325)L260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vcoA)A347 T0325 17 :PAVTQGIIEAHKRGVVTSTTALPTS 1vcoA 130 :DEIKERIRKVAEEQKAEIVVVEVGG T0325 42 :PYFLEAMESARI 1vcoA 162 :LPFLEAIRQFRF T0325 54 :SAPTLAIGVHLTLT 1vcoA 175 :EGEGNTLYLHLTLV T0325 73 :PILPR 1vcoA 189 :PYLET T0325 87 :AGYFW 1vcoA 194 :SEEFK T0325 102 :LEE 1vcoA 199 :TKP T0325 109 :WDAQIISFMKSGRRPDHIDSH 1vcoA 202 :TQHSVATLRGVGIQPDILVLR T0325 132 :VHGKNKK 1vcoA 223 :SARPVPE T0325 141 :GVALALARKYQLP 1vcoA 230 :EVRRKVALFTNVR T0325 154 :LRNASRSIETKDYLELY 1vcoA 246 :VFSSPTVEHLYEVPLLL T0325 181 :YQFYDKAISTETILQLLDMV 1vcoA 275 :LGLEAVIPNLSFWQEAVRVL T0325 202 :CSEGEVFEINCHPAF 1vcoA 295 :KHPERTVKIAIAGKY T0325 227 :YCMPRIREVEILT 1vcoA 315 :AYLSLLEALRHAG T0325 249 :ERG 1vcoA 329 :KNR T0325 252 :ILLANYES 1vcoA 336 :VKWVDAES Number of specific fragments extracted= 15 number of extra gaps= 0 total=1620 Number of alignments=112 # 1vcoA read from 1vcoA/merged-good-all-a2m # found chain 1vcoA in template set Warning: unaligning (T0325)I217 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vcoA)D314 Warning: unaligning (T0325)S225 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vcoA)D314 Warning: unaligning (T0325)L260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vcoA)A347 T0325 17 :PAVTQGIIEAHKRGVVTSTTALPTS 1vcoA 130 :DEIKERIRKVAEEQKAEIVVVEVGG T0325 42 :PYFLEAMESAR 1vcoA 162 :LPFLEAIRQFR T0325 53 :ISAPTLAIGVHLTLT 1vcoA 174 :DEGEGNTLYLHLTLV T0325 73 :PILPR 1vcoA 189 :PYLET T0325 87 :AGYFWHQ 1vcoA 194 :SEEFKTK T0325 108 :EWDAQIISFMKSGRRPDHIDSH 1vcoA 201 :PTQHSVATLRGVGIQPDILVLR T0325 132 :VHGKNKK 1vcoA 223 :SARPVPE T0325 141 :GVALALARKYQLP 1vcoA 230 :EVRRKVALFTNVR T0325 154 :LRNASRSIETKDYLELY 1vcoA 246 :VFSSPTVEHLYEVPLLL T0325 171 :QDVRT 1vcoA 275 :LGLEA T0325 186 :KAISTETILQLLDMVVCS 1vcoA 280 :VIPNLSFWQEAVRVLKHP T0325 205 :GEVFEINCHPAF 1vcoA 298 :ERTVKIAIAGKY T0325 226 :G 1vcoA 315 :A T0325 228 :CMPRIREVEILT 1vcoA 316 :YLSLLEALRHAG T0325 249 :ERG 1vcoA 329 :KNR T0325 252 :ILLANYES 1vcoA 336 :VKWVDAES Number of specific fragments extracted= 16 number of extra gaps= 0 total=1636 Number of alignments=113 # 1vcoA read from 1vcoA/merged-good-all-a2m # found chain 1vcoA in template set Warning: unaligning (T0325)I217 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vcoA)D314 Warning: unaligning (T0325)G226 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vcoA)D314 Warning: unaligning (T0325)L260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vcoA)A347 T0325 17 :PAVTQGIIEAHKRGVVTSTTALPTS 1vcoA 130 :DEIKERIRKVAEEQKAEIVVVEVGG T0325 42 :PYFLEAMESARI 1vcoA 162 :LPFLEAIRQFRF T0325 54 :SAPTLAIGVHLTLT 1vcoA 175 :EGEGNTLYLHLTLV T0325 80 :VPSLVDEAGYF 1vcoA 189 :PYLETSEEFKT T0325 103 :E 1vcoA 200 :K T0325 108 :EWDAQIISFMKSGRRPDHI 1vcoA 201 :PTQHSVATLRGVGIQPDIL T0325 131 :NVHGK 1vcoA 220 :VLRSA T0325 137 :KKL 1vcoA 225 :RPV T0325 140 :LGVALALARKYQLP 1vcoA 229 :EEVRRKVALFTNVR T0325 154 :LRNASRSIETKDYLEL 1vcoA 246 :VFSSPTVEHLYEVPLL T0325 172 :DVRTP 1vcoA 274 :ALGLE T0325 185 :DKAISTETILQLLDMVV 1vcoA 279 :AVIPNLSFWQEAVRVLK T0325 203 :SEGEVFEINCHPAF 1vcoA 296 :HPERTVKIAIAGKY T0325 227 :YCMPRIREVEILT 1vcoA 315 :AYLSLLEALRHAG T0325 249 :ERG 1vcoA 329 :KNR T0325 252 :ILLANYES 1vcoA 336 :VKWVDAES Number of specific fragments extracted= 16 number of extra gaps= 0 total=1652 Number of alignments=114 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1wraA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1wraA expands to /projects/compbio/data/pdb/1wra.pdb.gz 1wraA:Skipped atom 863, because occupancy 0.500 <= existing 0.500 in 1wraA Skipped atom 2168, because occupancy 0.500 <= existing 0.500 in 1wraA Skipped atom 2170, because occupancy 0.500 <= existing 0.500 in 1wraA Skipped atom 2172, because occupancy 0.500 <= existing 0.500 in 1wraA Skipped atom 2174, because occupancy 0.500 <= existing 0.500 in 1wraA Skipped atom 2176, because occupancy 0.500 <= existing 0.500 in 1wraA Skipped atom 2178, because occupancy 0.500 <= existing 0.500 in 1wraA # T0325 read from 1wraA/merged-good-all-a2m # 1wraA read from 1wraA/merged-good-all-a2m # adding 1wraA to template set # found chain 1wraA in template set Warning: unaligning (T0325)V31 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wraA)K102 Warning: unaligning (T0325)L58 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1wraA)P127 Warning: unaligning (T0325)A59 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wraA)P127 Warning: unaligning (T0325)G61 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1wraA)R130 Warning: unaligning (T0325)V62 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wraA)R130 Warning: unaligning (T0325)L75 because of BadResidue code BAD_PEPTIDE in next template residue (1wraA)S137 Warning: unaligning (T0325)P76 because of BadResidue code BAD_PEPTIDE at template residue (1wraA)S137 Warning: unaligning (T0325)G134 because of BadResidue code BAD_PEPTIDE in next template residue (1wraA)D149 Warning: unaligning (T0325)K135 because of BadResidue code BAD_PEPTIDE at template residue (1wraA)D149 Warning: unaligning (T0325)L140 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1wraA)D155 Warning: unaligning (T0325)G141 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wraA)D155 Warning: unaligning (T0325)S160 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1wraA)G175 Warning: unaligning (T0325)I161 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wraA)G175 Warning: unaligning (T0325)E162 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wraA)D176 Warning: unaligning (T0325)L221 because of BadResidue code BAD_PEPTIDE in next template residue (1wraA)W283 Warning: unaligning (T0325)Q222 because of BadResidue code BAD_PEPTIDE at template residue (1wraA)W283 T0325 20 :TQGIIEAHKRG 1wraA 88 :TDRVFRRLKEL T0325 32 :VTSTTALPTSPYFL 1wraA 103 :LDFILVTHTHSDHI T0325 46 :EAMESAR 1wraA 118 :NVDELLS T0325 57 :T 1wraA 125 :T T0325 60 :I 1wraA 128 :V T0325 64 :LTLT 1wraA 131 :VYLK T0325 74 :I 1wraA 135 :K T0325 77 :REMVPS 1wraA 138 :DSRITN T0325 86 :EAGY 1wraA 144 :SERL T0325 136 :NKKL 1wraA 150 :NLYG T0325 142 :VALALARKYQLPLRNASR 1wraA 156 :KVLQTATETGVSVIQNIT T0325 180 :LYQFYDKAISTE 1wraA 253 :HHHDTNKSNTKD T0325 196 :LLDMV 1wraA 265 :FIKNL T0325 204 :EGEVFEINC 1wraA 270 :SPSLIVQTS T0325 218 :DTI 1wraA 279 :DSL T0325 223 :N 1wraA 284 :K T0325 225 :SG 1wraA 285 :NG T0325 239 :TSQEVKEAIEERGILLANY 1wraA 287 :VDSEYVNWLKERGIERINA Number of specific fragments extracted= 18 number of extra gaps= 8 total=1670 Number of alignments=115 # 1wraA read from 1wraA/merged-good-all-a2m # found chain 1wraA in template set Warning: unaligning (T0325)V31 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wraA)K102 Warning: unaligning (T0325)L58 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1wraA)P127 Warning: unaligning (T0325)A59 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wraA)P127 Warning: unaligning (T0325)G61 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1wraA)R130 Warning: unaligning (T0325)V62 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wraA)R130 Warning: unaligning (T0325)L75 because of BadResidue code BAD_PEPTIDE in next template residue (1wraA)S137 Warning: unaligning (T0325)P76 because of BadResidue code BAD_PEPTIDE at template residue (1wraA)S137 Warning: unaligning (T0325)F90 because of BadResidue code BAD_PEPTIDE in next template residue (1wraA)D149 Warning: unaligning (T0325)K135 because of BadResidue code BAD_PEPTIDE at template residue (1wraA)D149 Warning: unaligning (T0325)L140 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1wraA)D155 Warning: unaligning (T0325)G141 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wraA)D155 Warning: unaligning (T0325)S160 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1wraA)G175 Warning: unaligning (T0325)I161 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wraA)G175 Warning: unaligning (T0325)E162 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wraA)D176 Warning: unaligning (T0325)L221 because of BadResidue code BAD_PEPTIDE in next template residue (1wraA)W283 Warning: unaligning (T0325)Q222 because of BadResidue code BAD_PEPTIDE at template residue (1wraA)W283 T0325 20 :TQGIIEAHKRG 1wraA 88 :TDRVFRRLKEL T0325 32 :VTSTTALPTSPYFL 1wraA 103 :LDFILVTHTHSDHI T0325 46 :EAMESAR 1wraA 118 :NVDELLS T0325 57 :T 1wraA 125 :T T0325 60 :I 1wraA 128 :V T0325 64 :LTLT 1wraA 131 :VYLK T0325 74 :I 1wraA 135 :K T0325 77 :REMVPS 1wraA 138 :DSRITN T0325 86 :EAGY 1wraA 144 :SERL T0325 136 :NKKL 1wraA 150 :NLYG T0325 142 :VALALARKYQLPLRNASR 1wraA 156 :KVLQTATETGVSVIQNIT T0325 181 :YQFYDKAISTETI 1wraA 254 :HHDTNKSNTKDFI T0325 198 :DMV 1wraA 267 :KNL T0325 204 :EGEVF 1wraA 270 :SPSLI T0325 210 :IN 1wraA 275 :VQ T0325 216 :FIDTI 1wraA 277 :TSDSL T0325 223 :NQS 1wraA 284 :KNG T0325 239 :TSQEVKEAIEERGILLANY 1wraA 287 :VDSEYVNWLKERGIERINA Number of specific fragments extracted= 18 number of extra gaps= 8 total=1688 Number of alignments=116 # 1wraA read from 1wraA/merged-good-all-a2m # found chain 1wraA in template set Warning: unaligning (T0325)Y89 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1wraA)E77 Warning: unaligning (T0325)R121 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1wraA)K102 Warning: unaligning (T0325)R122 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wraA)K102 Warning: unaligning (T0325)L140 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1wraA)D155 Warning: unaligning (T0325)G141 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wraA)D155 Warning: unaligning (T0325)S160 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1wraA)G175 Warning: unaligning (T0325)I161 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wraA)G175 Warning: unaligning (T0325)E162 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wraA)D176 Warning: unaligning (T0325)T163 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1wraA)H178 Warning: unaligning (T0325)E168 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wraA)H178 Warning: unaligning (T0325)L169 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1wraA)Q180 Warning: unaligning (T0325)F216 because of BadResidue code BAD_PEPTIDE in next template residue (1wraA)W283 Warning: unaligning (T0325)I217 because of BadResidue code BAD_PEPTIDE at template residue (1wraA)W283 T0325 78 :EMVPSLVDEAG 1wraA 65 :FPDGSDSRYPW T0325 96 :FEEKVNLEEVYNEWDA 1wraA 82 :SYKHVLTDRVFRRLKE T0325 119 :SG 1wraA 98 :LS T0325 123 :PDHID 1wraA 103 :LDFIL T0325 128 :SHHNVHGKN 1wraA 109 :THTHSDHIG T0325 142 :VALALARKYQLPLRNASR 1wraA 156 :KVLQTATETGVSVIQNIT T0325 176 :PDEM 1wraA 258 :NKSN T0325 193 :ILQLLD 1wraA 262 :TKDFIK T0325 202 :CSEGEVFEINCHPA 1wraA 268 :NLSPSLIVQTSDSL T0325 218 :DT 1wraA 284 :KN T0325 225 :S 1wraA 286 :G T0325 239 :TSQEVKEAIEERGILLANY 1wraA 287 :VDSEYVNWLKERGIERINA Number of specific fragments extracted= 12 number of extra gaps= 5 total=1700 Number of alignments=117 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1frb/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1frb expands to /projects/compbio/data/pdb/1frb.pdb.gz 1frb:Warning: there is no chain 1frb will retry with 1frbA # T0325 read from 1frb/merged-good-all-a2m # 1frb read from 1frb/merged-good-all-a2m # adding 1frb to template set # found chain 1frb in template set T0325 4 :KKLIINADDFGYTPAVTQGIIEAHKRGV 1frb 39 :YRHIDCAYAYCNENEVGEAIQEKIKEKA T0325 32 :VTSTTAL 1frb 72 :LFIVSKL T0325 39 :PTSPYFLEAMESA 1frb 83 :FEKKLLKEAFQKT T0325 52 :RISAPTLAIGV 1frb 98 :DLKLDYLDLYL T0325 66 :LT 1frb 109 :IH T0325 70 :QAKPILPREMVP 1frb 111 :WPQGLQPGKELF T0325 83 :LVDEAGYFWH 1frb 123 :PKDDQGRILT T0325 93 :QSIFEEK 1frb 145 :EELVDQG T0325 110 :DAQIISFMKS 1frb 163 :HFQIERLLNK T0325 120 :GRR 1frb 174 :GLK T0325 123 :PDHIDSHHNVH 1frb 181 :TNQVECHPYLT T0325 135 :K 1frb 192 :Q T0325 141 :GVALALARKYQLPLR 1frb 193 :EKLIQYCHSKGISVT T0325 156 :NASRSIETKDYLELY 1frb 213 :GSPDRPSAKPEDPSL T0325 171 :QDVRTPDEMLYQFY 1frb 240 :HEKTSAQVLIRFHI Number of specific fragments extracted= 15 number of extra gaps= 0 total=1715 Number of alignments=118 # 1frb read from 1frb/merged-good-all-a2m # found chain 1frb in template set T0325 4 :KKLIINADDFGYTPAVTQGIIEAHKRGV 1frb 39 :YRHIDCAYAYCNENEVGEAIQEKIKEKA T0325 32 :VTSTTALPT 1frb 72 :LFIVSKLWP T0325 41 :SPYFLEAMESAR 1frb 85 :KKLLKEAFQKTL T0325 53 :ISAPTLAIGV 1frb 99 :LKLDYLDLYL T0325 66 :LT 1frb 109 :IH T0325 70 :QAKPILPREMVPS 1frb 111 :WPQGLQPGKELFP T0325 84 :VDEAGYFWHQSI 1frb 124 :KDDQGRILTSKT T0325 96 :FEEK 1frb 148 :VDQG T0325 110 :DAQIISFMK 1frb 163 :HFQIERLLN T0325 120 :GRR 1frb 174 :GLK T0325 123 :PDHIDSHHNVH 1frb 181 :TNQVECHPYLT T0325 140 :LGVALALARKYQLPLR 1frb 192 :QEKLIQYCHSKGISVT T0325 156 :NASRSIETKDYLELY 1frb 213 :GSPDRPSAKPEDPSL T0325 238 :LTSQEVKEAIEERGIL 1frb 228 :LEDPKIKEIAAKHEKT Number of specific fragments extracted= 14 number of extra gaps= 0 total=1729 Number of alignments=119 # 1frb read from 1frb/merged-good-all-a2m # found chain 1frb in template set T0325 4 :KKLIINADDFGYTPAVTQGIIEAHKRGV 1frb 39 :YRHIDCAYAYCNENEVGEAIQEKIKEKA T0325 32 :VTSTTAL 1frb 72 :LFIVSKL T0325 39 :PTSPYFLEAMESARI 1frb 83 :FEKKLLKEAFQKTLT T0325 54 :SAPTLA 1frb 100 :KLDYLD T0325 64 :LTLTLNQAKPILPREMVPSLVDEAG 1frb 106 :LYLIHWPQGLQPGKELFPKDDQGRI T0325 90 :FWHQSIFE 1frb 135 :TTFLEAWE T0325 110 :DAQIISFMK 1frb 163 :HFQIERLLN T0325 119 :SGRRPDHIDSHHNVHGK 1frb 173 :PGLKHKPVTNQVECHPY T0325 138 :KLLGVALALARKYQL 1frb 190 :LTQEKLIQYCHSKGI T0325 209 :EINCHPAFIDTILQNQSGYCMP 1frb 205 :SVTAYSPLGSPDRPSAKPEDPS T0325 237 :ILTSQEVKEAIEERGIL 1frb 227 :LLEDPKIKEIAAKHEKT Number of specific fragments extracted= 11 number of extra gaps= 0 total=1740 Number of alignments=120 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1v6tA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1v6tA expands to /projects/compbio/data/pdb/1v6t.pdb.gz 1v6tA:# T0325 read from 1v6tA/merged-good-all-a2m # 1v6tA read from 1v6tA/merged-good-all-a2m # adding 1v6tA to template set # found chain 1v6tA in template set Warning: unaligning (T0325)K4 because first residue in template chain is (1v6tA)M1 Warning: unaligning (T0325)D177 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1v6tA)A184 Warning: unaligning (T0325)D185 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1v6tA)A184 T0325 5 :KLIINAD 1v6tA 2 :RVDLNSD T0325 13 :FGYTPAV 1v6tA 18 :LGLDEEV T0325 29 :RGVVTSTTALPTS 1v6tA 25 :MKYITSANVACGW T0325 42 :PYFLEAMESARI 1v6tA 43 :LVMRKTVRLAKE T0325 56 :PTLAIGVH 1v6tA 55 :NDVQVGAH T0325 73 :PILPR 1v6tA 63 :PGYPD T0325 86 :EAGYFWHQ 1v6tA 68 :LMGFGRRY T0325 98 :EKVNLEEVYNEWDAQIISFMKS 1v6tA 76 :MKLTPEEARNYILYQVGALYAF T0325 120 :GRRPDHIDSHHNVHG 1v6tA 102 :GLELQHVKPHGALYN T0325 135 :KNKKLLGVAL 1v6tA 124 :LARAVIEGIL T0325 145 :ALARKYQLPLRNASRS 1v6tA 151 :DIAEEMGLKVAHEVFA T0325 166 :YLELYQDVRTP 1v6tA 167 :DRAYNPDGTLV T0325 186 :KAISTETILQLLDMVVCS 1v6tA 185 :VIEDKEEIAERVISMVKD T0325 204 :EGE 1v6tA 208 :ING T0325 207 :VFEINCHP 1v6tA 217 :VDTICVHG T0325 218 :DTI 1v6tA 225 :DNP T0325 230 :PRIREVE 1v6tA 228 :KAVEITS T0325 242 :EVKEAIEERGILLANYES 1v6tA 235 :YIRKVLEEEGVKIVPMKE Number of specific fragments extracted= 18 number of extra gaps= 0 total=1758 Number of alignments=121 # 1v6tA read from 1v6tA/merged-good-all-a2m # found chain 1v6tA in template set Warning: unaligning (T0325)K4 because first residue in template chain is (1v6tA)M1 Warning: unaligning (T0325)D177 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1v6tA)A184 Warning: unaligning (T0325)D185 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1v6tA)A184 T0325 5 :KLIINAD 1v6tA 2 :RVDLNSD T0325 13 :FGYTPAV 1v6tA 18 :LGLDEEV T0325 29 :RGVVTSTTALPTS 1v6tA 25 :MKYITSANVACGW T0325 42 :PYFLEAMESARI 1v6tA 43 :LVMRKTVRLAKE T0325 56 :PTLAIGVH 1v6tA 55 :NDVQVGAH T0325 73 :PILP 1v6tA 63 :PGYP T0325 85 :DEAGYFWH 1v6tA 67 :DLMGFGRR T0325 97 :EEKVNLEEVYNEWDAQIISFMKS 1v6tA 75 :YMKLTPEEARNYILYQVGALYAF T0325 120 :GRRPDHIDSHHNVHG 1v6tA 102 :GLELQHVKPHGALYN T0325 135 :KNKKLLGVALAL 1v6tA 124 :LARAVIEGILDF T0325 147 :ARKYQLPLRNASRSI 1v6tA 153 :AEEMGLKVAHEVFAD T0325 167 :LELYQDVRTP 1v6tA 168 :RAYNPDGTLV T0325 186 :KAISTETILQLLDMV 1v6tA 185 :VIEDKEEIAERVISM T0325 202 :CSEGEVF 1v6tA 207 :AINGEWV T0325 209 :EINCHP 1v6tA 219 :TICVHG T0325 218 :DTI 1v6tA 225 :DNP T0325 230 :PR 1v6tA 228 :KA T0325 235 :VEILT 1v6tA 230 :VEITS T0325 242 :EVKEAIEERGILLANYES 1v6tA 235 :YIRKVLEEEGVKIVPMKE Number of specific fragments extracted= 19 number of extra gaps= 0 total=1777 Number of alignments=122 # 1v6tA read from 1v6tA/merged-good-all-a2m # found chain 1v6tA in template set Warning: unaligning (T0325)K4 because first residue in template chain is (1v6tA)M1 Warning: unaligning (T0325)E178 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1v6tA)A184 Warning: unaligning (T0325)Y184 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1v6tA)A184 T0325 5 :KLIINAD 1v6tA 2 :RVDLNSD T0325 13 :FGYTPAV 1v6tA 18 :LGLDEEV T0325 29 :RGVVTSTTALPTS 1v6tA 25 :MKYITSANVACGW T0325 42 :PYFLEAMESARI 1v6tA 43 :LVMRKTVRLAKE T0325 56 :PTLAIGVH 1v6tA 55 :NDVQVGAH T0325 79 :MVPSLVDEAGYFW 1v6tA 63 :PGYPDLMGFGRRY T0325 98 :EKVNLEEVYNEWDAQIISFMK 1v6tA 76 :MKLTPEEARNYILYQVGALYA T0325 119 :SGRRPDHIDSHHNVHGKN 1v6tA 101 :EGLELQHVKPHGALYNAM T0325 137 :KKLLGV 1v6tA 126 :RAVIEG T0325 143 :ALALARKYQLPLRNASR 1v6tA 149 :VADIAEEMGLKVAHEVF T0325 166 :YLELYQDVRTPD 1v6tA 166 :ADRAYNPDGTLV T0325 185 :DKAISTETILQLLDMVV 1v6tA 185 :VIEDKEEIAERVISMVK T0325 202 :CSEGEVF 1v6tA 207 :AINGEWV T0325 209 :EINCHP 1v6tA 219 :TICVHG T0325 218 :DTI 1v6tA 225 :DNP T0325 233 :REVEILT 1v6tA 228 :KAVEITS T0325 242 :EVKEAIEERGILLANYES 1v6tA 235 :YIRKVLEEEGVKIVPMKE Number of specific fragments extracted= 17 number of extra gaps= 0 total=1794 Number of alignments=123 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1k1xA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1k1xA expands to /projects/compbio/data/pdb/1k1x.pdb.gz 1k1xA:# T0325 read from 1k1xA/merged-good-all-a2m # 1k1xA read from 1k1xA/merged-good-all-a2m # adding 1k1xA to template set # found chain 1k1xA in template set T0325 4 :KKLIINADDFGYTPAVTQ 1k1xA 7 :IFGIHNHQPLGNFGWVFE T0325 25 :EAHKR 1k1xA 25 :EAYNR T0325 43 :YFLEAMESAR 1k1xA 30 :SYRPFMEILE T0325 54 :SAPTLAIGVHL 1k1xA 40 :EFPEMKVNVHF T0325 67 :T 1k1xA 51 :S T0325 88 :G 1k1xA 52 :G T0325 102 :LEEVYNE 1k1xA 55 :LEWIEEN T0325 109 :WDAQIISFMKSGRRPDHIDSHH 1k1xA 65 :YLDLLRSLIKRGQLEIVVAGFY T0325 131 :NVHGKNKK 1k1xA 88 :PVLAAIPK T0325 139 :LLGVALALARKYQL 1k1xA 101 :QIEMLKDYARKLGY T0325 153 :PLRNASRSIETKDYLELY 1k1xA 117 :KGVWLTERVWQPELVKSL T0325 173 :VRTPDEMLYQFYD 1k1xA 175 :FPIDEKLRYLIPF T0325 188 :ISTETILQLLDMVVCSEGEVFEINCHPAF 1k1xA 188 :RPVKKTIEYLESLTSDDPSKVAVFHDDGE T0325 217 :IDTILQNQSGYCMPR 1k1xA 221 :WPGTYEWVYEKGWLR T0325 242 :EVKEAIEERG 1k1xA 236 :EFFDAITSNE T0325 252 :ILL 1k1xA 247 :INL Number of specific fragments extracted= 16 number of extra gaps= 0 total=1810 Number of alignments=124 # 1k1xA read from 1k1xA/merged-good-all-a2m # found chain 1k1xA in template set T0325 4 :KKLIINADDFGYTPAVTQ 1k1xA 7 :IFGIHNHQPLGNFGWVFE T0325 25 :EAHKR 1k1xA 25 :EAYNR T0325 43 :YFLEAMESAR 1k1xA 30 :SYRPFMEILE T0325 54 :SAPTLAIGVHL 1k1xA 40 :EFPEMKVNVHF T0325 67 :T 1k1xA 51 :S T0325 88 :GY 1k1xA 52 :GP T0325 101 :NLEEVYNE 1k1xA 54 :LLEWIEEN T0325 109 :WDAQIISFMKSGRRPDHIDSHH 1k1xA 65 :YLDLLRSLIKRGQLEIVVAGFY T0325 131 :NVHGKNKK 1k1xA 88 :PVLAAIPK T0325 139 :LLGVALALARKYQL 1k1xA 101 :QIEMLKDYARKLGY T0325 153 :PLRNASRSIETKDYLELY 1k1xA 117 :KGVWLTERVWQPELVKSL T0325 173 :VRTPDEMLYQFY 1k1xA 175 :FPIDEKLRYLIP T0325 187 :AISTETILQLLDMVVCSEGEVFEINCHPAFI 1k1xA 187 :FRPVKKTIEYLESLTSDDPSKVAVFHDDGEK T0325 218 :DTILQNQSGYCMPRI 1k1xA 222 :PGTYEWVYEKGWLRE T0325 243 :VKEAIEERG 1k1xA 237 :FFDAITSNE T0325 252 :ILL 1k1xA 247 :INL Number of specific fragments extracted= 16 number of extra gaps= 0 total=1826 Number of alignments=125 # 1k1xA read from 1k1xA/merged-good-all-a2m # found chain 1k1xA in template set T0325 3 :NKKLIINA 1k1xA 2 :ERINFIFG T0325 11 :DDFGYTPAVTQ 1k1xA 14 :QPLGNFGWVFE T0325 25 :EAHKR 1k1xA 25 :EAYNR T0325 43 :YFLEAMESARI 1k1xA 30 :SYRPFMEILEE T0325 55 :APTLAIGVHL 1k1xA 41 :FPEMKVNVHF T0325 89 :YFWH 1k1xA 51 :SGPL T0325 102 :LEEVYNE 1k1xA 55 :LEWIEEN T0325 109 :WDAQIISFMKSGRRPDHIDSHHNVHGKN 1k1xA 65 :YLDLLRSLIKRGQLEIVVAGFYEPVLAA T0325 137 :K 1k1xA 94 :P T0325 139 :LLGVALALARKYQLPLR 1k1xA 101 :QIEMLKDYARKLGYDAK T0325 156 :NASRSIETKDYLEL 1k1xA 120 :WLTERVWQPELVKS T0325 183 :FYDKAISTETILQLLDMVVCSEGEVFEINCHPAFID 1k1xA 183 :YLIPFRPVKKTIEYLESLTSDDPSKVAVFHDDGEKF T0325 219 :TILQNQSGYCMPR 1k1xA 223 :GTYEWVYEKGWLR T0325 242 :EVKEAIEERG 1k1xA 236 :EFFDAITSNE T0325 252 :ILLAN 1k1xA 247 :INLMT Number of specific fragments extracted= 15 number of extra gaps= 0 total=1841 Number of alignments=126 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1us0A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0325 read from 1us0A/merged-good-all-a2m # 1us0A read from 1us0A/merged-good-all-a2m # found chain 1us0A in training set Warning: unaligning (T0325)H92 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1us0A)S133 Warning: unaligning (T0325)L253 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (1us0A)V297 Warning: unaligning (T0325)L254 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (1us0A)V297 T0325 4 :KKLIINADDFGYTPAVTQGIIEAHKRGV 1us0A 39 :YRHIDCAHVYQNENEVGVAIQEKLREQV T0325 32 :VTSTTAL 1us0A 72 :LFIVSKL T0325 39 :PTSPYFLEAMESARI 1us0A 83 :HEKGLVKGACQKTLS T0325 54 :SAPTLAIGV 1us0A 100 :KLDYLDLYL T0325 66 :LT 1us0A 109 :IH T0325 70 :QAKPILPREMVPS 1us0A 111 :WPTGFKPGKEFFP T0325 84 :VDEAGYFW 1us0A 124 :LDESGNVV T0325 93 :QSIFEEK 1us0A 145 :EELVDEG T0325 110 :DAQIISFMKS 1us0A 163 :HLQVEMILNK T0325 120 :GRR 1us0A 174 :GLK T0325 123 :PDHIDSHHNVH 1us0A 181 :VNQIECHPYLT T0325 135 :K 1us0A 192 :Q T0325 140 :LGVA 1us0A 193 :EKLI T0325 145 :ALARKYQLPLRNASR 1us0A 197 :QYCQSKGIVVTAYSP T0325 161 :IETKDYLELYQDVRTPDE 1us0A 212 :LGSPDRPWAKPEDPSLLE T0325 191 :ETILQLLDMVVCS 1us0A 231 :PRIKAIAAKHNKT T0325 206 :E 1us0A 256 :N T0325 210 :INCHPAFIDTILQN 1us0A 257 :LVVIPKSVTPERIA T0325 236 :EILT 1us0A 271 :ENFK T0325 240 :SQEVKEAIEER 1us0A 281 :SSQDMTTLLSY T0325 251 :GI 1us0A 294 :NW T0325 255 :ANYESL 1us0A 298 :CALLSC Number of specific fragments extracted= 22 number of extra gaps= 2 total=1863 Number of alignments=127 # 1us0A read from 1us0A/merged-good-all-a2m # found chain 1us0A in training set Warning: unaligning (T0325)H92 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1us0A)S133 Warning: unaligning (T0325)Q93 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1us0A)S133 T0325 4 :KKLIINADDFGYTPAVTQGIIEAHKRGVVT 1us0A 39 :YRHIDCAHVYQNENEVGVAIQEKLREQVVK T0325 34 :STTAL 1us0A 74 :IVSKL T0325 39 :PTSPYFLEAMESAR 1us0A 83 :HEKGLVKGACQKTL T0325 53 :ISAPTLAIGV 1us0A 99 :LKLDYLDLYL T0325 66 :LT 1us0A 109 :IH T0325 70 :QAKPILPREMVPSL 1us0A 111 :WPTGFKPGKEFFPL T0325 85 :DEAGYFW 1us0A 125 :DESGNVV T0325 99 :KVNLEEVYNE 1us0A 134 :DTNILDTWAA T0325 113 :IISFMKSGRRPDHIDS 1us0A 144 :MEELVDEGLVKAIGIS T0325 130 :H 1us0A 160 :N T0325 135 :KNKKLLGVAL 1us0A 161 :FNHLQVEMIL T0325 151 :Q 1us0A 171 :N T0325 170 :YQDVRTPDEMLYQ 1us0A 172 :KPGLKYKPAVNQI T0325 183 :FYDKAISTETILQLLDM 1us0A 186 :CHPYLTQEKLIQYCQSK T0325 206 :EVFEINCHP 1us0A 203 :GIVVTAYSP T0325 216 :FIDTILQNQSGYCMP 1us0A 212 :LGSPDRPWAKPEDPS T0325 237 :ILTSQEVKEAIEERGIL 1us0A 227 :LLEDPRIKAIAAKHNKT Number of specific fragments extracted= 17 number of extra gaps= 1 total=1880 Number of alignments=128 # 1us0A read from 1us0A/merged-good-all-a2m # found chain 1us0A in training set T0325 4 :KKLIINADDFGYTPAVTQGIIEAHKRGVVT 1us0A 39 :YRHIDCAHVYQNENEVGVAIQEKLREQVVK T0325 34 :STTAL 1us0A 74 :IVSKL T0325 39 :PTSPYFLEAMESARI 1us0A 83 :HEKGLVKGACQKTLS T0325 54 :SAPTLAI 1us0A 100 :KLDYLDL T0325 65 :TLTLNQAKPILPREMVPSLVDEAG 1us0A 107 :YLIHWPTGFKPGKEFFPLDESGNV T0325 89 :YFWHQSIFE 1us0A 141 :WAAMEELVD T0325 110 :DAQIISFMK 1us0A 163 :HLQVEMILN T0325 119 :SGRR 1us0A 173 :PGLK T0325 123 :PDHIDSHHNVHGK 1us0A 181 :VNQIECHPYLTQE T0325 141 :GV 1us0A 194 :KL T0325 144 :LALARKYQL 1us0A 196 :IQYCQSKGI T0325 209 :EINCHPAFIDTILQNQSGYCMP 1us0A 205 :VVTAYSPLGSPDRPWAKPEDPS T0325 237 :ILTSQEVKEAIEERGIL 1us0A 227 :LLEDPRIKAIAAKHNKT Number of specific fragments extracted= 13 number of extra gaps= 0 total=1893 Number of alignments=129 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1tv8A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1tv8A expands to /projects/compbio/data/pdb/1tv8.pdb.gz 1tv8A:# T0325 read from 1tv8A/merged-good-all-a2m # 1tv8A read from 1tv8A/merged-good-all-a2m # adding 1tv8A to template set # found chain 1tv8A in template set Warning: unaligning (T0325)A10 because of BadResidue code BAD_PEPTIDE in next template residue (1tv8A)G75 Warning: unaligning (T0325)D11 because of BadResidue code BAD_PEPTIDE at template residue (1tv8A)G75 Warning: unaligning (T0325)T163 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1tv8A)D202 Warning: unaligning (T0325)K164 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1tv8A)D202 Warning: unaligning (T0325)D165 because of BadResidue code BAD_PEPTIDE at template residue (1tv8A)N203 Warning: unaligning (T0325)G251 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1tv8A)Q329 T0325 4 :KKLIIN 1tv8A 68 :KKIRIT T0325 12 :DFGYTPAVTQGIIEAHKRGVVTSTTALPTSPYFLEAMESARI 1tv8A 76 :EPLMRRDLDVLIAKLNQIDGIEDIGLTTNGLLLKKHGQKLYD T0325 54 :SAP 1tv8A 119 :GLR T0325 61 :GVHLTLT 1tv8A 122 :RINVSLD T0325 74 :ILPRE 1tv8A 129 :AIDDT T0325 91 :WHQSIFEEKVNLEEVY 1tv8A 134 :LFQSINNRNIKATTIL T0325 111 :AQIISFMKSGRRPDH 1tv8A 150 :EQIDYATSIGLNVKV T0325 127 :DSHHNVHGKNKKLLG 1tv8A 165 :NVVIQKGINDDQIIP T0325 143 :ALALARKYQLPLR 1tv8A 180 :MLEYFKDKHIEIR T0325 156 :NASRSIE 1tv8A 194 :IEFMDVG T0325 166 :YLELY 1tv8A 204 :GWDFS T0325 171 :QDVRTPDEML 1tv8A 283 :VDGFNVKAFI T0325 185 :DKAISTETILQLLDMVVCSEGEV 1tv8A 293 :RSGVTDEELKEQFKALWQIRDDR T0325 227 :Y 1tv8A 316 :Y T0325 240 :SQEVKEAIEER 1tv8A 317 :SDERTAQTVAN Number of specific fragments extracted= 15 number of extra gaps= 3 total=1908 Number of alignments=130 # 1tv8A read from 1tv8A/merged-good-all-a2m # found chain 1tv8A in template set Warning: unaligning (T0325)A10 because of BadResidue code BAD_PEPTIDE in next template residue (1tv8A)G75 Warning: unaligning (T0325)D11 because of BadResidue code BAD_PEPTIDE at template residue (1tv8A)G75 Warning: unaligning (T0325)K164 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1tv8A)D202 Warning: unaligning (T0325)D165 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1tv8A)D202 Warning: unaligning (T0325)Y166 because of BadResidue code BAD_PEPTIDE at template residue (1tv8A)N203 Warning: unaligning (T0325)G251 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1tv8A)Q329 T0325 4 :KKLIIN 1tv8A 68 :KKIRIT T0325 12 :DFGYTPAVTQGIIEAHKRGVVTSTTALPTSPYFLEAMESARIS 1tv8A 76 :EPLMRRDLDVLIAKLNQIDGIEDIGLTTNGLLLKKHGQKLYDA T0325 57 :TLA 1tv8A 119 :GLR T0325 61 :GVHLTLT 1tv8A 122 :RINVSLD T0325 74 :ILPR 1tv8A 129 :AIDD T0325 91 :WHQSIFEEKVNLEEVYN 1tv8A 134 :LFQSINNRNIKATTILE T0325 112 :QIISFMKSGRRPDH 1tv8A 151 :QIDYATSIGLNVKV T0325 127 :DSHHNVHGKNKKLLG 1tv8A 165 :NVVIQKGINDDQIIP T0325 143 :ALALARKYQLPLRNASRSIET 1tv8A 180 :MLEYFKDKHIEIRFIEFMDVG T0325 167 :LELY 1tv8A 204 :GWDF T0325 171 :QDVRTPDEM 1tv8A 283 :VDGFNVKAF T0325 184 :YDKAISTETILQLL 1tv8A 292 :IRSGVTDEELKEQF T0325 198 :DMVVCSEGE 1tv8A 307 :ALWQIRDDR T0325 229 :MP 1tv8A 316 :YS T0325 241 :QEVKEAIEER 1tv8A 318 :DERTAQTVAN Number of specific fragments extracted= 15 number of extra gaps= 3 total=1923 Number of alignments=131 # 1tv8A read from 1tv8A/merged-good-all-a2m # found chain 1tv8A in template set Warning: unaligning (T0325)A10 because of BadResidue code BAD_PEPTIDE in next template residue (1tv8A)G75 Warning: unaligning (T0325)D11 because of BadResidue code BAD_PEPTIDE at template residue (1tv8A)G75 Warning: unaligning (T0325)I161 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1tv8A)D202 Warning: unaligning (T0325)E162 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1tv8A)D202 Warning: unaligning (T0325)T163 because of BadResidue code BAD_PEPTIDE at template residue (1tv8A)N203 Warning: unaligning (T0325)G251 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1tv8A)Q329 T0325 3 :NKKLIIN 1tv8A 67 :VKKIRIT T0325 12 :DFGYTPAVTQGIIEAHKRGVVTSTTALPTSPYFLEAMESARI 1tv8A 76 :EPLMRRDLDVLIAKLNQIDGIEDIGLTTNGLLLKKHGQKLYD T0325 56 :PTLA 1tv8A 118 :AGLR T0325 60 :I 1tv8A 123 :I T0325 65 :TLT 1tv8A 124 :NVS T0325 79 :MVPSL 1tv8A 127 :LDAID T0325 89 :YFWHQSIFEEKVNLEEVYN 1tv8A 132 :DTLFQSINNRNIKATTILE T0325 112 :QIISFMKSGRRPDH 1tv8A 151 :QIDYATSIGLNVKV T0325 127 :DSHHNVHGK 1tv8A 165 :NVVIQKGIN T0325 137 :KKLLGVALALARKYQLPLR 1tv8A 174 :DDQIIPMLEYFKDKHIEIR T0325 156 :NASRS 1tv8A 196 :FMDVG T0325 164 :KDYL 1tv8A 204 :GWDF T0325 170 :YQDVRTPDEMLYQFYDKAISTETILQLLDMVVCSEGEV 1tv8A 278 :CLFATVDGFNVKAFIRSGVTDEELKEQFKALWQIRDDR T0325 227 :YCM 1tv8A 316 :YSD T0325 242 :EVKEAIEER 1tv8A 319 :ERTAQTVAN Number of specific fragments extracted= 15 number of extra gaps= 3 total=1938 Number of alignments=132 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1zhaA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1zhaA expands to /projects/compbio/data/pdb/1zha.pdb.gz 1zhaA:# T0325 read from 1zhaA/merged-good-all-a2m # 1zhaA read from 1zhaA/merged-good-all-a2m # adding 1zhaA to template set # found chain 1zhaA in template set Warning: unaligning (T0325)N3 because first residue in template chain is (1zhaA)E1002 T0325 4 :KKLIINADDFGYTPAVTQGI 1zhaA 1003 :KFLVIAGPCAIESEELLLKV T0325 44 :FLEAMESAR 1zhaA 1023 :GEEIKRLSE T0325 54 :SAPTLAIGV 1zhaA 1032 :KFKEVEFVF T0325 65 :TLT 1zhaA 1041 :KSS T0325 70 :QAKPILPREMVPSLV 1zhaA 1044 :FDKANRSSIHSFRGH T0325 101 :NLEEVYNEWD 1zhaA 1059 :GLEYGVKALR T0325 115 :SFMK 1zhaA 1069 :KVKE T0325 119 :SGRRP 1zhaA 1074 :FGLKI T0325 125 :HIDSHHNVH 1zhaA 1079 :TTDIHESWQ T0325 136 :NKKLL 1zhaA 1088 :AEPVA T0325 141 :GVA 1zhaA 1109 :DLL T0325 145 :ALARKYQLPLR 1zhaA 1112 :LAAAKTGRAVN T0325 156 :NASRSIETKDYLELY 1zhaA 1124 :KKGQFLAPWDTKNVV T0325 178 :EMLYQ 1zhaA 1185 :HSVQL T0325 189 :STETILQLLDMVVCSEGEVFEINCHP 1zhaA 1200 :MREFIFPLIRAAVAVGCDGVFMETHP T0325 215 :AFID 1zhaA 1230 :ALSD T0325 226 :GYCM 1zhaA 1241 :SQLE T0325 233 :REVE 1zhaA 1245 :GIIE T0325 242 :EVKEAIEE 1zhaA 1249 :AILEIREV Number of specific fragments extracted= 19 number of extra gaps= 0 total=1957 Number of alignments=133 # 1zhaA read from 1zhaA/merged-good-all-a2m # found chain 1zhaA in template set Warning: unaligning (T0325)N3 because first residue in template chain is (1zhaA)E1002 T0325 4 :KKLIINADDFGYTPAVTQGI 1zhaA 1003 :KFLVIAGPCAIESEELLLKV T0325 44 :FLEAMESAR 1zhaA 1023 :GEEIKRLSE T0325 54 :SAPTLAIGV 1zhaA 1032 :KFKEVEFVF T0325 65 :TLT 1zhaA 1041 :KSS T0325 70 :QAKPILPREM 1zhaA 1044 :FDKANRSSIH T0325 96 :FEEKVNLEEVYNEWD 1zhaA 1054 :SFRGHGLEYGVKALR T0325 115 :SFMK 1zhaA 1069 :KVKE T0325 119 :SGRRP 1zhaA 1074 :FGLKI T0325 125 :HIDSHHNVH 1zhaA 1079 :TTDIHESWQ T0325 136 :NKKLL 1zhaA 1088 :AEPVA T0325 141 :GVA 1zhaA 1109 :DLL T0325 145 :ALARKYQLPL 1zhaA 1112 :LAAAKTGRAV T0325 155 :RNASRSIETKDYLELY 1zhaA 1123 :VKKGQFLAPWDTKNVV T0325 178 :EMLYQ 1zhaA 1185 :HSVQL T0325 189 :STETILQLLDMVVCSEGEVFEINCHPAF 1zhaA 1200 :MREFIFPLIRAAVAVGCDGVFMETHPEP T0325 219 :TILQNQSGYC 1zhaA 1228 :EKALSDASTQ T0325 230 :PRIREVE 1zhaA 1242 :QLEGIIE T0325 242 :EVKEAIEE 1zhaA 1249 :AILEIREV Number of specific fragments extracted= 18 number of extra gaps= 0 total=1975 Number of alignments=134 # 1zhaA read from 1zhaA/merged-good-all-a2m # found chain 1zhaA in template set Warning: unaligning (T0325)N3 because first residue in template chain is (1zhaA)E1002 Warning: unaligning (T0325)L180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1zhaA)G1199 Warning: unaligning (T0325)Y181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1zhaA)G1199 T0325 4 :KKLIINA 1zhaA 1003 :KFLVIAG T0325 35 :TTALPTSPYFLEAMESARI 1zhaA 1010 :PCAIESEELLLKVGEEIKR T0325 54 :SAPTLAI 1zhaA 1032 :KFKEVEF T0325 65 :TLTLNQAKPILPR 1zhaA 1039 :VFKSSFDKANRSS T0325 85 :DEAGYF 1zhaA 1052 :IHSFRG T0325 100 :VNLEEVYNEWD 1zhaA 1058 :HGLEYGVKALR T0325 115 :SFMK 1zhaA 1069 :KVKE T0325 119 :SGRRP 1zhaA 1074 :FGLKI T0325 125 :HIDSH 1zhaA 1079 :TTDIH T0325 130 :HNVHGKNKK 1zhaA 1099 :QIPAFLCGQ T0325 141 :GVALALARKYQLPL 1zhaA 1108 :TDLLLAAAKTGRAV T0325 155 :RNASRSIETKDYLE 1zhaA 1123 :VKKGQFLAPWDTKN T0325 175 :TPDEM 1zhaA 1186 :SVQLP T0325 189 :STETILQLLDMVVCSEGEVFEINCHPAF 1zhaA 1200 :MREFIFPLIRAAVAVGCDGVFMETHPEP T0325 219 :TILQNQSGYC 1zhaA 1228 :EKALSDASTQ T0325 255 :ANYESL 1zhaA 1238 :LPLSQL Number of specific fragments extracted= 16 number of extra gaps= 1 total=1991 Number of alignments=135 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1j5vA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1j5vA expands to Error: no filename for 1j5vA 1j5vA expands to Error: no filename for 1j5vA 1j5vA expands to Error: no filename for 1j5vA # T0325 read from 1j5vA/merged-good-all-a2m # 1j5vA read from 1j5vA/merged-good-all-a2m # adding 1j5vA to template set Error: can't find template for 1j5vA or 1j5vA, so skipping it. # 1j5vA read from 1j5vA/merged-good-all-a2m # adding 1j5vA to template set Error: can't find template for 1j5vA or 1j5vA, so skipping it. # 1j5vA read from 1j5vA/merged-good-all-a2m # adding 1j5vA to template set Error: can't find template for 1j5vA or 1j5vA, so skipping it. # Reading fragments from alignment file # Attempting to read fragment alignments from file 1xg5A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0325 read from 1xg5A/merged-good-all-a2m # 1xg5A read from 1xg5A/merged-good-all-a2m # found chain 1xg5A in training set Warning: unaligning (T0325)A47 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1xg5A)A52 Warning: unaligning (T0325)M48 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1xg5A)A52 Warning: unaligning (T0325)G61 because of BadResidue code BAD_PEPTIDE in next template residue (1xg5A)P66 Warning: unaligning (T0325)V62 because of BadResidue code BAD_PEPTIDE at template residue (1xg5A)P66 Warning: unaligning (T0325)I210 because of BadResidue code BAD_PEPTIDE in next template residue (1xg5A)C195 Warning: unaligning (T0325)N211 because of BadResidue code BAD_PEPTIDE at template residue (1xg5A)C195 Warning: unaligning (T0325)P214 because of BadResidue code BAD_PEPTIDE in next template residue (1xg5A)G199 Warning: unaligning (T0325)A215 because of BadResidue code BAD_PEPTIDE at template residue (1xg5A)G199 Warning: unaligning (T0325)I237 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xg5A)C226 T0325 3 :NKKLIIN 1xg5A 11 :DRLALVT T0325 14 :GYTPAVTQGIIEAHKRGVVTSTTALPTSPYFLE 1xg5A 18 :GASGGIGAAVARALVQQGLKVVGCARTVGNIEE T0325 49 :ESARISAPTLAI 1xg5A 53 :AECKSAGYPGTL T0325 66 :LT 1xg5A 67 :YR T0325 81 :PSLVD 1xg5A 69 :CDLSN T0325 106 :YNEWDAQIISFMKSGRRPD 1xg5A 74 :EEDILSMFSAIRSQHSGVD T0325 125 :HIDS 1xg5A 94 :CINN T0325 131 :NVHGKNKKLLGVALALARKYQLP 1xg5A 120 :VNVLALSICTREAYQSMKERNVD T0325 154 :LRNASRSIETKDYLELY 1xg5A 148 :NINSMSGHRVLPLSVTH T0325 175 :TPDEMLYQF 1xg5A 165 :FYSATKYAV T0325 190 :TETILQLLDMVVCSEGEVFE 1xg5A 174 :TALTEGLRQELREAQTHIRA T0325 212 :CH 1xg5A 196 :IS T0325 216 :FID 1xg5A 200 :VVE T0325 219 :TILQN 1xg5A 204 :QFAFK T0325 224 :QSGYCMPRIREV 1xg5A 210 :HDKDPEKAAATY T0325 238 :LTSQEVKEAIEE 1xg5A 227 :LKPEDVAEAVIY Number of specific fragments extracted= 16 number of extra gaps= 4 total=2007 Number of alignments=136 # 1xg5A read from 1xg5A/merged-good-all-a2m # found chain 1xg5A in training set Warning: unaligning (T0325)A47 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1xg5A)A52 Warning: unaligning (T0325)M48 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1xg5A)A52 Warning: unaligning (T0325)G61 because of BadResidue code BAD_PEPTIDE in next template residue (1xg5A)P66 Warning: unaligning (T0325)V62 because of BadResidue code BAD_PEPTIDE at template residue (1xg5A)P66 Warning: unaligning (T0325)I210 because of BadResidue code BAD_PEPTIDE in next template residue (1xg5A)C195 Warning: unaligning (T0325)N211 because of BadResidue code BAD_PEPTIDE at template residue (1xg5A)C195 Warning: unaligning (T0325)P214 because of BadResidue code BAD_PEPTIDE in next template residue (1xg5A)G199 Warning: unaligning (T0325)A215 because of BadResidue code BAD_PEPTIDE at template residue (1xg5A)G199 Warning: unaligning (T0325)I237 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xg5A)C226 T0325 3 :NKKLIIN 1xg5A 11 :DRLALVT T0325 14 :GYTPAVTQGIIEAHKRGVVTSTTALPTSPYFLE 1xg5A 18 :GASGGIGAAVARALVQQGLKVVGCARTVGNIEE T0325 49 :ESARISAPTLAI 1xg5A 53 :AECKSAGYPGTL T0325 66 :LT 1xg5A 67 :YR T0325 81 :PSLVD 1xg5A 69 :CDLSN T0325 106 :YNEWDAQIISFMKSGRRPD 1xg5A 74 :EEDILSMFSAIRSQHSGVD T0325 125 :HIDS 1xg5A 94 :CINN T0325 131 :NVHGKNKKLLGVALALARKYQLP 1xg5A 120 :VNVLALSICTREAYQSMKERNVD T0325 154 :LRNA 1xg5A 148 :NINS T0325 168 :ELYQDVRTPDEMLYQF 1xg5A 152 :MSGHRVLPLSVTHFYS T0325 190 :TETILQLLDMVVCSEGEVFE 1xg5A 174 :TALTEGLRQELREAQTHIRA T0325 212 :CH 1xg5A 196 :IS T0325 216 :FID 1xg5A 200 :VVE T0325 219 :TILQNQSGYCMPRIREV 1xg5A 204 :QFAFKLHDKDPEKAAAT T0325 238 :LTSQEVKEAIEE 1xg5A 227 :LKPEDVAEAVIY Number of specific fragments extracted= 15 number of extra gaps= 4 total=2022 Number of alignments=137 # 1xg5A read from 1xg5A/merged-good-all-a2m # found chain 1xg5A in training set Warning: unaligning (T0325)A47 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1xg5A)A52 Warning: unaligning (T0325)M48 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1xg5A)A52 Warning: unaligning (T0325)G61 because of BadResidue code BAD_PEPTIDE in next template residue (1xg5A)P66 Warning: unaligning (T0325)V62 because of BadResidue code BAD_PEPTIDE at template residue (1xg5A)P66 Warning: unaligning (T0325)I210 because of BadResidue code BAD_PEPTIDE in next template residue (1xg5A)C195 Warning: unaligning (T0325)N211 because of BadResidue code BAD_PEPTIDE at template residue (1xg5A)C195 Warning: unaligning (T0325)P214 because of BadResidue code BAD_PEPTIDE in next template residue (1xg5A)G199 Warning: unaligning (T0325)A215 because of BadResidue code BAD_PEPTIDE at template residue (1xg5A)G199 Warning: unaligning (T0325)I237 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xg5A)C226 T0325 3 :NKKLIIN 1xg5A 11 :DRLALVT T0325 14 :GYTPAVTQGIIEAHKRGVVTSTTALPTSPYFLE 1xg5A 18 :GASGGIGAAVARALVQQGLKVVGCARTVGNIEE T0325 49 :ESARISAPTLAI 1xg5A 53 :AECKSAGYPGTL T0325 63 :H 1xg5A 67 :Y T0325 78 :EMVPS 1xg5A 68 :RCDLS T0325 101 :NLE 1xg5A 73 :NEE T0325 108 :EWDAQIISFMKSGRRPDH 1xg5A 76 :DILSMFSAIRSQHSGVDI T0325 126 :IDS 1xg5A 95 :INN T0325 139 :LLGVALALARKYQLP 1xg5A 128 :CTREAYQSMKERNVD T0325 170 :YQDVRTPDEMLYQFYDKAISTETILQLLDMVVCSEGEVFE 1xg5A 154 :GHRVLPLSVTHFYSATKYAVTALTEGLRQELREAQTHIRA T0325 212 :CH 1xg5A 196 :IS T0325 216 :FID 1xg5A 200 :VVE T0325 219 :TILQNQSGYCMPRIREV 1xg5A 204 :QFAFKLHDKDPEKAAAT T0325 238 :LTSQEVKEAIEE 1xg5A 227 :LKPEDVAEAVIY Number of specific fragments extracted= 14 number of extra gaps= 4 total=2036 Number of alignments=138 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ny1A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0325 read from 1ny1A/merged-good-all-a2m # 1ny1A read from 1ny1A/merged-good-all-a2m # found chain 1ny1A in training set T0325 3 :NKKLIINADD 1ny1A 65 :EKTIYLTFDN T0325 14 :GYTPAVTQGIIEAHKRGVVTSTTA 1ny1A 75 :GYENGYTPKVLDVLKKHRVTGTFF T0325 39 :PTSPYFL 1ny1A 99 :VTGHFVK T0325 46 :EAMESARI 1ny1A 109 :QLIKRMSD T0325 56 :PTLAIGVH 1ny1A 117 :EGHIIGNH T0325 67 :T 1ny1A 125 :S T0325 70 :QA 1ny1A 126 :FH T0325 80 :VPSLV 1ny1A 128 :HPDLT T0325 99 :KVNLEEVYNEWDAQIISFMKS 1ny1A 133 :TKTADQIQDELDSVNEEVYKI T0325 120 :GRRPDHIDS 1ny1A 155 :GKQDNLYLR T0325 136 :NKK 1ny1A 164 :PPR T0325 139 :LLGVALALARKYQLPLRNASRSIETKD 1ny1A 169 :FSEYVLKETKRLGYQTVFWSVAFVDWK T0325 184 :YDKAISTETI 1ny1A 196 :INNQKGKKYA T0325 197 :LDMVVCSEGEVFEINCHPAFID 1ny1A 206 :YDHMIKQAHPGAIYLLHTVSRD T0325 231 :RI 1ny1A 228 :NA T0325 236 :EILT 1ny1A 230 :EALD T0325 242 :EVKEAIEERGILLANYE 1ny1A 234 :DAITDLKKQGYTFKSID Number of specific fragments extracted= 17 number of extra gaps= 0 total=2053 Number of alignments=139 # 1ny1A read from 1ny1A/merged-good-all-a2m # found chain 1ny1A in training set T0325 3 :NKKLIINADD 1ny1A 65 :EKTIYLTFDN T0325 14 :GYTPAVTQGIIEAHKRGVVTSTT 1ny1A 75 :GYENGYTPKVLDVLKKHRVTGTF T0325 38 :LPTSPYFL 1ny1A 98 :FVTGHFVK T0325 46 :EAMESARI 1ny1A 109 :QLIKRMSD T0325 56 :PTLAIGVH 1ny1A 117 :EGHIIGNH T0325 67 :T 1ny1A 125 :S T0325 70 :QA 1ny1A 126 :FH T0325 80 :VPSLV 1ny1A 128 :HPDLT T0325 99 :KVNLEEVYNEWDAQIISFMKS 1ny1A 133 :TKTADQIQDELDSVNEEVYKI T0325 120 :GRRPDHIDS 1ny1A 155 :GKQDNLYLR T0325 136 :NKK 1ny1A 164 :PPR T0325 139 :LLGVALALARKYQLPLRNASRSIETKD 1ny1A 169 :FSEYVLKETKRLGYQTVFWSVAFVDWK T0325 184 :YDKAISTETILQ 1ny1A 196 :INNQKGKKYAYD T0325 198 :DMVVCSEGEVF 1ny1A 208 :HMIKQAHPGAI T0325 210 :INCHPAFIDTI 1ny1A 219 :YLLHTVSRDNA T0325 236 :EILT 1ny1A 230 :EALD T0325 242 :EVKEAIEERGILLANYES 1ny1A 234 :DAITDLKKQGYTFKSIDD Number of specific fragments extracted= 17 number of extra gaps= 0 total=2070 Number of alignments=140 # 1ny1A read from 1ny1A/merged-good-all-a2m # found chain 1ny1A in training set T0325 2 :SNKKLIINADD 1ny1A 64 :KEKTIYLTFDN T0325 14 :GYTPAVTQGIIEAHKRGVVTSTTA 1ny1A 75 :GYENGYTPKVLDVLKKHRVTGTFF T0325 39 :PTSPYFL 1ny1A 99 :VTGHFVK T0325 46 :EAMESARI 1ny1A 109 :QLIKRMSD T0325 56 :PTLAIGVH 1ny1A 117 :EGHIIGNH T0325 75 :LPREMVP 1ny1A 125 :SFHHPDL T0325 98 :EKVNLEEVYNEWDAQIISFMK 1ny1A 132 :TTKTADQIQDELDSVNEEVYK T0325 119 :SGRRPDHI 1ny1A 154 :TGKQDNLY T0325 132 :VHGKNKKLLGVALALARKYQLPLRNASRS 1ny1A 162 :LRPPRGVFSEYVLKETKRLGYQTVFWSVA T0325 171 :QDVRTPDEML 1ny1A 191 :FVDWKINNQK T0325 192 :TILQLLDMVVCSEGEVFEINCHPAFIDTI 1ny1A 201 :GKKYAYDHMIKQAHPGAIYLLHTVSRDNA T0325 236 :EILT 1ny1A 230 :EALD T0325 242 :EVKEAIEERGILLANYESL 1ny1A 234 :DAITDLKKQGYTFKSIDDL Number of specific fragments extracted= 13 number of extra gaps= 0 total=2083 Number of alignments=141 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1z7aA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1z7aA expands to /projects/compbio/data/pdb/1z7a.pdb.gz 1z7aA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 520, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 524, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 526, because occupancy 0.500 <= existing 0.500 in 1z7aA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 855, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 859, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 861, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 863, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 865, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 867, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 885, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 889, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 891, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 893, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 895, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 897, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 899, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 901, because occupancy 0.500 <= existing 0.500 in 1z7aA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1039, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1043, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1045, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1047, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1049, because occupancy 0.500 <= existing 0.500 in 1z7aA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1144, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1148, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1150, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1152, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1154, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1156, because occupancy 0.500 <= existing 0.500 in 1z7aA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1241, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1245, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1247, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1249, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1251, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1253, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1264, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1268, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1270, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1272, because occupancy 0.500 <= existing 0.500 in 1z7aA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1812, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1816, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1818, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1820, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1822, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1824, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1826, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1828, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1830, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1832, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1834, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1836, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1838, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1840, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1842, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1844, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1846, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1848, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1850, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1852, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1854, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 1856, because occupancy 0.500 <= existing 0.500 in 1z7aA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2325, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2329, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2331, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2333, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2335, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2384, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2388, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2390, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2392, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2394, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2396, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2398, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2400, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2444, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2448, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2450, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2452, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2454, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2456, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2458, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2460, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2507, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2509, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2511, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2513, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2515, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2517, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2519, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2521, because occupancy 0.500 <= existing 0.500 in 1z7aA Skipped atom 2523, because occupancy 0.500 <= existing 0.500 in 1z7aA # T0325 read from 1z7aA/merged-good-all-a2m # 1z7aA read from 1z7aA/merged-good-all-a2m # adding 1z7aA to template set # found chain 1z7aA in template set Warning: unaligning (T0325)S34 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1z7aA)T98 Warning: unaligning (T0325)T35 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1z7aA)T98 Warning: unaligning (T0325)R159 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1z7aA)D190 Warning: unaligning (T0325)S160 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1z7aA)D190 Warning: unaligning (T0325)Q182 because of BadResidue code BAD_PEPTIDE in next template residue (1z7aA)G225 Warning: unaligning (T0325)F183 because of BadResidue code BAD_PEPTIDE at template residue (1z7aA)G225 T0325 17 :PAVTQGIIEAHKRGVVT 1z7aA 80 :RAGVWRLLKLFKRRNVP T0325 36 :TALPTSPYFL 1z7aA 99 :VFAVAMAAQR T0325 46 :EAMESARI 1z7aA 111 :EVIRAMVA T0325 56 :PTLAIGV 1z7aA 119 :DGHEICS T0325 70 :QAKPILPR 1z7aA 126 :HGYRWIDY T0325 98 :EKVNLEEVYNEWDAQIISFMKS 1z7aA 134 :QYMDEAQEREHMLEAIRILTEL T0325 120 :GRRPDHIDS 1z7aA 157 :GQRPVGWYT T0325 133 :HGKNKKLLGVALAL 1z7aA 166 :GRTGPNTRRLVMEE T0325 151 :QLPLRNAS 1z7aA 181 :GFLYDSDT T0325 161 :IE 1z7aA 191 :DD T0325 171 :QDVRTPDEMLY 1z7aA 213 :LDTNDMRFTQV T0325 184 :Y 1z7aA 226 :F T0325 188 :ISTETILQLLDMVVCS 1z7aA 227 :NNGEQFFQYLKDAFDV T0325 204 :EGE 1z7aA 248 :ATA T0325 207 :VFEINCHPAFIDTI 1z7aA 253 :MLSIGLHCRLIGRP T0325 230 :PRIREVE 1z7aA 267 :ARMAALE T0325 242 :EVKEAIEERGILLA 1z7aA 274 :RFIQYAQSHDKVWF Number of specific fragments extracted= 17 number of extra gaps= 3 total=2100 Number of alignments=142 # 1z7aA read from 1z7aA/merged-good-all-a2m # found chain 1z7aA in template set Warning: unaligning (T0325)S34 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1z7aA)T98 Warning: unaligning (T0325)T35 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1z7aA)T98 Warning: unaligning (T0325)R159 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1z7aA)D190 Warning: unaligning (T0325)S160 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1z7aA)D190 Warning: unaligning (T0325)D185 because of BadResidue code BAD_PEPTIDE in next template residue (1z7aA)G225 Warning: unaligning (T0325)K186 because of BadResidue code BAD_PEPTIDE at template residue (1z7aA)G225 T0325 17 :PAVTQGIIEAHKRGVVT 1z7aA 80 :RAGVWRLLKLFKRRNVP T0325 36 :TALPTSPYFL 1z7aA 99 :VFAVAMAAQR T0325 46 :EAMESARI 1z7aA 111 :EVIRAMVA T0325 56 :PTLAIGV 1z7aA 119 :DGHEICS T0325 70 :QAKPILP 1z7aA 126 :HGYRWID T0325 97 :EEKVNLEEVYNEWDAQIISFMKS 1z7aA 133 :YQYMDEAQEREHMLEAIRILTEL T0325 120 :GRRPDHIDS 1z7aA 157 :GQRPVGWYT T0325 133 :HGKNKKLLGVALAL 1z7aA 166 :GRTGPNTRRLVMEE T0325 151 :QLPLRNAS 1z7aA 181 :GFLYDSDT T0325 161 :IET 1z7aA 191 :DDL T0325 171 :QDVRTPDEM 1z7aA 213 :LDTNDMRFT T0325 181 :Y 1z7aA 222 :Q T0325 184 :Y 1z7aA 223 :V T0325 187 :AISTETILQLL 1z7aA 226 :FNNGEQFFQYL T0325 198 :DMV 1z7aA 241 :DVL T0325 201 :VCSEGE 1z7aA 245 :EEGATA T0325 207 :VFEINCHPAFIDTI 1z7aA 253 :MLSIGLHCRLIGRP T0325 230 :PRIREVE 1z7aA 267 :ARMAALE T0325 242 :EVKEAIEERGILLA 1z7aA 274 :RFIQYAQSHDKVWF Number of specific fragments extracted= 19 number of extra gaps= 3 total=2119 Number of alignments=143 # 1z7aA read from 1z7aA/merged-good-all-a2m # found chain 1z7aA in template set Warning: unaligning (T0325)S34 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1z7aA)T98 Warning: unaligning (T0325)T35 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1z7aA)T98 Warning: unaligning (T0325)F183 because of BadResidue code BAD_PEPTIDE in next template residue (1z7aA)G225 Warning: unaligning (T0325)Y184 because of BadResidue code BAD_PEPTIDE at template residue (1z7aA)G225 T0325 17 :PAVTQGIIEAHKRGVVT 1z7aA 80 :RAGVWRLLKLFKRRNVP T0325 36 :TALPTSPYFL 1z7aA 99 :VFAVAMAAQR T0325 46 :EAMESARI 1z7aA 111 :EVIRAMVA T0325 56 :PTLAIGVH 1z7aA 119 :DGHEICSH T0325 69 :NQAKPIL 1z7aA 127 :GYRWIDY T0325 98 :EKVNLEEVYNEWDAQIISFMK 1z7aA 134 :QYMDEAQEREHMLEAIRILTE T0325 119 :SGRRPDHIDS 1z7aA 156 :TGQRPVGWYT T0325 132 :VHGK 1z7aA 166 :GRTG T0325 137 :KKLLGVALAL 1z7aA 170 :PNTRRLVMEE T0325 170 :YQDVRTPDEMLYQ 1z7aA 211 :YTLDTNDMRFTQV T0325 185 :D 1z7aA 226 :F T0325 188 :ISTETILQLLDMVV 1z7aA 227 :NNGEQFFQYLKDAF T0325 202 :CSEGEVFEINCHPAFIDTI 1z7aA 248 :ATAPKMLSIGLHCRLIGRP T0325 230 :PRIREVE 1z7aA 267 :ARMAALE T0325 242 :EVKEAIEERGILLA 1z7aA 274 :RFIQYAQSHDKVWF Number of specific fragments extracted= 15 number of extra gaps= 2 total=2134 Number of alignments=144 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1n82A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1n82A expands to /projects/compbio/data/pdb/1n82.pdb.gz 1n82A:Skipped atom 808, because occupancy 0.240 <= existing 0.760 in 1n82A Skipped atom 810, because occupancy 0.240 <= existing 0.760 in 1n82A Skipped atom 919, because occupancy 0.460 <= existing 0.540 in 1n82A Skipped atom 921, because occupancy 0.460 <= existing 0.540 in 1n82A Skipped atom 1506, because occupancy 0.040 <= existing 0.960 in 1n82A Skipped atom 1508, because occupancy 0.040 <= existing 0.960 in 1n82A Skipped atom 1510, because occupancy 0.040 <= existing 0.960 in 1n82A Skipped atom 1512, because occupancy 0.040 <= existing 0.960 in 1n82A Skipped atom 1514, because occupancy 0.040 <= existing 0.960 in 1n82A Skipped atom 1658, because occupancy 0.160 <= existing 0.840 in 1n82A Skipped atom 1660, because occupancy 0.160 <= existing 0.840 in 1n82A Skipped atom 1662, because occupancy 0.160 <= existing 0.840 in 1n82A Skipped atom 1664, because occupancy 0.160 <= existing 0.840 in 1n82A Skipped atom 2137, because occupancy 0.320 <= existing 0.680 in 1n82A Skipped atom 2139, because occupancy 0.320 <= existing 0.680 in 1n82A Skipped atom 2141, because occupancy 0.320 <= existing 0.680 in 1n82A Skipped atom 2143, because occupancy 0.320 <= existing 0.680 in 1n82A Skipped atom 2332, because occupancy 0.150 <= existing 0.850 in 1n82A Skipped atom 2334, because occupancy 0.150 <= existing 0.850 in 1n82A Skipped atom 2336, because occupancy 0.150 <= existing 0.850 in 1n82A Skipped atom 2573, because occupancy 0.050 <= existing 0.950 in 1n82A Skipped atom 2575, because occupancy 0.050 <= existing 0.950 in 1n82A Skipped atom 2577, because occupancy 0.050 <= existing 0.950 in 1n82A Skipped atom 2738, because occupancy 0.200 <= existing 0.800 in 1n82A Skipped atom 2740, because occupancy 0.200 <= existing 0.800 in 1n82A # T0325 read from 1n82A/merged-good-all-a2m # 1n82A read from 1n82A/merged-good-all-a2m # adding 1n82A to template set # found chain 1n82A in template set Warning: unaligning (T0325)H63 because of BadResidue code BAD_PEPTIDE in next template residue (1n82A)T82 Warning: unaligning (T0325)L64 because of BadResidue code BAD_PEPTIDE at template residue (1n82A)T82 Warning: unaligning (T0325)R155 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1n82A)Y176 Warning: unaligning (T0325)N156 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1n82A)Y176 Warning: unaligning (T0325)E209 because of BadResidue code BAD_PEPTIDE in next template residue (1n82A)T240 Warning: unaligning (T0325)I210 because of BadResidue code BAD_PEPTIDE at template residue (1n82A)T240 Warning: unaligning (T0325)Q224 because of BadResidue code BAD_PEPTIDE in next template residue (1n82A)D255 Warning: unaligning (T0325)S225 because of BadResidue code BAD_PEPTIDE at template residue (1n82A)D255 T0325 4 :KKLIINAD 1n82A 16 :FRIGAAVN T0325 17 :PAVTQGIIEA 1n82A 28 :EMQKQLLIDH T0325 32 :VTSTTAL 1n82A 38 :VNSITAE T0325 39 :PTSPYFLEAMESARI 1n82A 59 :FTFQEADRIVDFACS T0325 55 :A 1n82A 74 :H T0325 57 :TLAIGV 1n82A 75 :RMAVRG T0325 65 :TLTLN 1n82A 83 :LVWHN T0325 74 :ILPREM 1n82A 88 :QTPDWV T0325 83 :LVDEAGYF 1n82A 94 :FQDGQGHF T0325 100 :VNLEEVYNEWDAQIISFMKS 1n82A 102 :VSRDVLLERMKCHISTVVRR T0325 120 :GRRPDHIDSHHNVHG 1n82A 123 :KGKIYCWDVINEAVA T0325 135 :KNKK 1n82A 144 :LRPS T0325 139 :LLGVALALARKY 1n82A 157 :FMEQAFLYAYEA T0325 151 :QLPL 1n82A 171 :DALL T0325 157 :ASRSIETKDYLELY 1n82A 177 :NDYNECFPEKREKI T0325 171 :QDVRT 1n82A 200 :KGIPI T0325 179 :MLYQFYDKAISTETILQLLDMVVCSEGEVF 1n82A 209 :MQAHWSLTRPSLDEIRAAIERYASLGVVLH T0325 211 :NCHPAFIDTILQN 1n82A 241 :ELDVSMFEFHDRR T0325 226 :GYCM 1n82A 258 :APTS T0325 230 :PRIREVEILT 1n82A 263 :MIERQAERYG T0325 242 :EVKEAIEERG 1n82A 273 :QIFALFKEYR T0325 252 :ILLANYESL 1n82A 285 :IQSVTFWGI Number of specific fragments extracted= 22 number of extra gaps= 4 total=2156 Number of alignments=145 # 1n82A read from 1n82A/merged-good-all-a2m # found chain 1n82A in template set Warning: unaligning (T0325)H63 because of BadResidue code BAD_PEPTIDE in next template residue (1n82A)T82 Warning: unaligning (T0325)L64 because of BadResidue code BAD_PEPTIDE at template residue (1n82A)T82 Warning: unaligning (T0325)R155 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1n82A)Y176 Warning: unaligning (T0325)N156 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1n82A)Y176 Warning: unaligning (T0325)E209 because of BadResidue code BAD_PEPTIDE in next template residue (1n82A)T240 Warning: unaligning (T0325)I210 because of BadResidue code BAD_PEPTIDE at template residue (1n82A)T240 Warning: unaligning (T0325)Q224 because of BadResidue code BAD_PEPTIDE in next template residue (1n82A)D255 Warning: unaligning (T0325)S225 because of BadResidue code BAD_PEPTIDE at template residue (1n82A)D255 T0325 4 :KKLIINAD 1n82A 16 :FRIGAAVN T0325 17 :PAVTQGIIEA 1n82A 28 :EMQKQLLIDH T0325 32 :VTSTTA 1n82A 38 :VNSITA T0325 39 :PTSPYFLEAMESARIS 1n82A 59 :FTFQEADRIVDFACSH T0325 57 :TLAIGV 1n82A 75 :RMAVRG T0325 65 :TLTLN 1n82A 83 :LVWHN T0325 74 :ILPREM 1n82A 88 :QTPDWV T0325 83 :LVDEAGYF 1n82A 94 :FQDGQGHF T0325 100 :VNLEEVYNEWDAQIISFMKS 1n82A 102 :VSRDVLLERMKCHISTVVRR T0325 120 :GRRPDHIDSHHNVHG 1n82A 123 :KGKIYCWDVINEAVA T0325 135 :KNKK 1n82A 144 :LRPS T0325 139 :LLGVALALARKY 1n82A 157 :FMEQAFLYAYEA T0325 151 :QLPL 1n82A 171 :DALL T0325 157 :ASRSIETKDYLELY 1n82A 177 :NDYNECFPEKREKI T0325 171 :QDVRTP 1n82A 200 :KGIPIH T0325 179 :MLYQFYDKAISTETILQLLDMVVCSEGEVF 1n82A 209 :MQAHWSLTRPSLDEIRAAIERYASLGVVLH T0325 211 :NCHPAFIDTILQN 1n82A 241 :ELDVSMFEFHDRR T0325 226 :GYCM 1n82A 258 :APTS T0325 230 :PRIREVEILT 1n82A 263 :MIERQAERYG T0325 242 :EVKEAIEERG 1n82A 273 :QIFALFKEYR T0325 252 :ILLANYE 1n82A 285 :IQSVTFW Number of specific fragments extracted= 21 number of extra gaps= 4 total=2177 Number of alignments=146 # 1n82A read from 1n82A/merged-good-all-a2m # found chain 1n82A in template set Warning: unaligning (T0325)H63 because of BadResidue code BAD_PEPTIDE in next template residue (1n82A)T82 Warning: unaligning (T0325)L64 because of BadResidue code BAD_PEPTIDE at template residue (1n82A)T82 Warning: unaligning (T0325)Y166 because of BadResidue code BAD_PEPTIDE in next template residue (1n82A)D255 Warning: unaligning (T0325)Q171 because of BadResidue code BAD_PEPTIDE at template residue (1n82A)D255 T0325 4 :KKLIINA 1n82A 16 :FRIGAAV T0325 17 :PAVTQGIIEA 1n82A 28 :EMQKQLLIDH T0325 32 :VTSTTA 1n82A 38 :VNSITA T0325 39 :PTSPYFLEAMESARI 1n82A 59 :FTFQEADRIVDFACS T0325 56 :PTLAIGV 1n82A 74 :HRMAVRG T0325 65 :TLTLNQAKPIL 1n82A 83 :LVWHNQTPDWV T0325 81 :PSLVDEAGY 1n82A 94 :FQDGQGHFV T0325 90 :FWHQSIF 1n82A 106 :VLLERMK T0325 103 :EEVYNEWDAQIISFMKSGRRPDHIDSHHNVHGKNKKL 1n82A 184 :PEKREKIFALVKSLRDKGIPIHGIGMQAHWSLTRPSL T0325 140 :LGVALALARKYQLP 1n82A 223 :IRAAIERYASLGVV T0325 154 :LRNASRSIETKD 1n82A 242 :LDVSMFEFHDRR T0325 172 :DVRTPDE 1n82A 256 :LAAPTSE T0325 185 :DKAISTETILQLLDMVVCSEGEVFEINCHPAFIDTILQNQSGY 1n82A 263 :MIERQAERYGQIFALFKEYRDVIQSVTFWGIADDHTWLDNFPV Number of specific fragments extracted= 13 number of extra gaps= 2 total=2190 Number of alignments=147 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2c71A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2c71A expands to /projects/compbio/data/pdb/2c71.pdb.gz 2c71A:Skipped atom 19, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 21, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 23, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 25, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 27, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 29, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 31, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 38, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 40, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 42, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 44, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 46, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 48, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 50, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 52, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 296, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 300, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 302, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 304, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 306, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 308, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 336, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 338, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 340, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 342, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 344, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 346, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 348, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 350, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 352, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 354, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 356, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 358, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 360, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 362, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 398, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 402, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 404, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 406, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 408, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 410, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 412, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 414, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 435, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 437, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 439, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 441, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 443, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 445, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 447, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 631, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 633, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 634, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 636, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 638, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 640, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 641, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 643, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 644, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 646, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 647, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 649, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 650, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 652, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 653, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 655, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 656, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 658, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 659, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 676, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 678, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 680, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 682, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 684, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 686, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 688, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 690, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 786, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 788, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 790, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 792, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 794, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 796, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 798, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 807, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 809, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 811, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 813, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 815, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 817, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 819, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 821, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 823, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 848, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 852, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 854, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 856, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 858, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 860, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 862, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 864, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 952, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 956, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 958, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 960, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 962, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1086, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1088, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1090, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1092, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1094, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1096, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1098, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1196, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1198, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1200, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1202, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1204, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1206, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1208, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1210, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1212, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1214, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1216, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1218, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1220, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1222, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1224, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1226, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1228, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1230, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1372, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 1376, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 1378, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 1380, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 1382, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 1384, because occupancy 0.250 <= existing 0.500 in 2c71A Skipped atom 1463, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1467, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1469, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1498, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1500, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1502, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1504, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1506, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1508, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1510, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1512, because occupancy 0.500 <= existing 0.500 in 2c71A Skipped atom 1514, because occupancy 0.500 <= existing 0.500 in 2c71A # T0325 read from 2c71A/merged-good-all-a2m # 2c71A read from 2c71A/merged-good-all-a2m # adding 2c71A to template set # found chain 2c71A in template set Warning: unaligning (T0325)K4 because first residue in template chain is (2c71A)K480 Warning: unaligning (T0325)D11 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2c71A)D488 Warning: unaligning (T0325)D12 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2c71A)D488 Warning: unaligning (T0325)R122 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2c71A)P573 Warning: unaligning (T0325)P123 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2c71A)P573 T0325 5 :KLIINA 2c71A 481 :LVALTF T0325 14 :GYTPAVTQGIIEAHKRGVVTSTTALP 2c71A 489 :GPDNVLTARVLDKLDKYNVKATFMVV T0325 40 :TSPYFLEAMESAR 2c71A 518 :VNDSTAAIIRRMV T0325 55 :APTLAIGVH 2c71A 531 :NSGHEIGNH T0325 74 :ILPREMV 2c71A 540 :SWSYSGM T0325 98 :EKVNLEEVYNEWDAQIISFMKS 2c71A 547 :ANMSPDQIRKSIADTNAVIQKY T0325 120 :GR 2c71A 570 :GT T0325 124 :DHIDS 2c71A 574 :KFFRP T0325 130 :HNVH 2c71A 579 :PNLE T0325 135 :KNKKLLGV 2c71A 583 :TSPTLFNN T0325 152 :LPLRNA 2c71A 591 :VDLVFV T0325 177 :DEMLYQFYDKAISTETILQ 2c71A 597 :GGLTANDWIPSTTAEQRAA T0325 199 :MVVCSEGEVFEINCHPAF 2c71A 616 :AVINGVRDGTIILLHDVQ T0325 226 :GYCMPRIREVEIL 2c71A 634 :PEPHPTPEALDII T0325 244 :KEAIEERGILLA 2c71A 647 :IPTLKSRGYEFV Number of specific fragments extracted= 15 number of extra gaps= 2 total=2205 Number of alignments=148 # 2c71A read from 2c71A/merged-good-all-a2m # found chain 2c71A in template set Warning: unaligning (T0325)K4 because first residue in template chain is (2c71A)K480 Warning: unaligning (T0325)D11 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2c71A)D488 Warning: unaligning (T0325)D12 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2c71A)D488 Warning: unaligning (T0325)R122 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2c71A)P573 Warning: unaligning (T0325)P123 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2c71A)P573 T0325 5 :KLIINA 2c71A 481 :LVALTF T0325 14 :GYTPAVTQGIIEAHKRGVVTSTTALPT 2c71A 489 :GPDNVLTARVLDKLDKYNVKATFMVVG T0325 41 :SPYFLEAMESAR 2c71A 519 :NDSTAAIIRRMV T0325 55 :APTLAIGVH 2c71A 531 :NSGHEIGNH T0325 67 :T 2c71A 540 :S T0325 75 :LPRE 2c71A 541 :WSYS T0325 82 :SL 2c71A 545 :GM T0325 98 :EKVNLEEVYNEWDAQIISFMKS 2c71A 547 :ANMSPDQIRKSIADTNAVIQKY T0325 120 :GR 2c71A 570 :GT T0325 124 :DHIDS 2c71A 574 :KFFRP T0325 130 :HNVH 2c71A 579 :PNLE T0325 135 :KNKKLLGV 2c71A 583 :TSPTLFNN T0325 152 :LPLRNASR 2c71A 591 :VDLVFVGG T0325 174 :RTPD 2c71A 599 :LTAN T0325 183 :FYDKAISTETILQ 2c71A 603 :DWIPSTTAEQRAA T0325 196 :LLDMV 2c71A 617 :VINGV T0325 204 :EGEVF 2c71A 622 :RDGTI T0325 210 :INCHPAFIDT 2c71A 627 :ILLHDVQPEP T0325 229 :MPRIREVE 2c71A 637 :HPTPEALD T0325 242 :EVKEAIEERGILLAN 2c71A 645 :IIIPTLKSRGYEFVT Number of specific fragments extracted= 20 number of extra gaps= 2 total=2225 Number of alignments=149 # 2c71A read from 2c71A/merged-good-all-a2m # found chain 2c71A in template set Warning: unaligning (T0325)K4 because first residue in template chain is (2c71A)K480 Warning: unaligning (T0325)D11 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2c71A)D488 Warning: unaligning (T0325)D12 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2c71A)D488 Warning: unaligning (T0325)R122 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2c71A)P573 Warning: unaligning (T0325)P123 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2c71A)P573 T0325 5 :KLIINA 2c71A 481 :LVALTF T0325 14 :GYTPAVTQGIIEAHKRGVVTSTTALPTS 2c71A 489 :GPDNVLTARVLDKLDKYNVKATFMVVGQ T0325 42 :PYFLEAMESARI 2c71A 520 :DSTAAIIRRMVN T0325 56 :PTLAIGVH 2c71A 532 :SGHEIGNH T0325 69 :NQAKPIL 2c71A 540 :SWSYSGM T0325 98 :EKVNLEEVYNEWDAQIISFMK 2c71A 547 :ANMSPDQIRKSIADTNAVIQK T0325 119 :SGR 2c71A 569 :AGT T0325 124 :DHIDS 2c71A 574 :KFFRP T0325 130 :HNVHGK 2c71A 579 :PNLETS T0325 137 :KKLLGV 2c71A 585 :PTLFNN T0325 152 :LPLRNASRSI 2c71A 591 :VDLVFVGGLT T0325 181 :YQFYDKAI 2c71A 601 :ANDWIPST T0325 192 :TILQLLDMVVCSEGEVFEINCHPAFID 2c71A 609 :TAEQRAAAVINGVRDGTIILLHDVQPE T0325 228 :CMPRIREVEILT 2c71A 636 :PHPTPEALDIII T0325 245 :EAIEERGILLANY 2c71A 648 :PTLKSRGYEFVTL Number of specific fragments extracted= 15 number of extra gaps= 2 total=2240 Number of alignments=150 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1oltA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1oltA expands to /projects/compbio/data/pdb/1olt.pdb.gz 1oltA:Skipped atom 28, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 30, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 32, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 34, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 36, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 38, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 40, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 42, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 116, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 118, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 120, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 122, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 124, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 126, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 128, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 130, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 132, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 134, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 136, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 138, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 140, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 142, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 144, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 146, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 148, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 150, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 152, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 154, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 156, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 158, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 160, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 162, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 164, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 272, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 274, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 276, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 278, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 280, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 282, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 284, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 286, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 288, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 340, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 341, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 343, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 344, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 346, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 347, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 349, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 350, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 352, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 353, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 355, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 356, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 358, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 359, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 361, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 362, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 364, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 365, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 367, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 368, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 370, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 371, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 392, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 394, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 396, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 398, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 400, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 402, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 404, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 406, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 408, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 577, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 579, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 581, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 583, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 585, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 587, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 589, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 591, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 593, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 595, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 597, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 599, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 601, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 603, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 605, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 607, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 609, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 611, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 613, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 615, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 617, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 619, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 621, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 859, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 861, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 863, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 865, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 867, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 869, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 871, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 873, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 875, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 877, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 879, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 904, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 906, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 908, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 910, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 912, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 914, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 916, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 918, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 920, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1071, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1073, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1075, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1077, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1079, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1081, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1083, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1085, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1087, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1089, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1091, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1093, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1095, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1097, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1099, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1101, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1103, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1206, because occupancy 0.700 <= existing 0.700 in 1oltA Skipped atom 1208, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1210, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1212, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1214, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1216, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1218, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1220, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1222, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1305, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1307, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1309, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1311, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1313, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1315, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1317, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1319, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1321, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1428, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1430, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1432, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1434, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1436, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1438, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1440, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1442, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1444, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1446, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1448, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1450, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1452, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1454, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1456, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1458, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1460, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1462, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1464, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 1472, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1474, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1476, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1478, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1480, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1482, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1484, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1486, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1569, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1571, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1573, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1575, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1577, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1579, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1581, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1583, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1585, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1587, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1589, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1720, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1722, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1724, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1726, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1728, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1730, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1732, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1734, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 1762, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1764, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1766, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1768, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1770, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1772, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1774, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1776, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1778, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1810, because occupancy 0.400 <= existing 0.600 in 1oltA Skipped atom 1812, because occupancy 0.400 <= existing 0.600 in 1oltA Skipped atom 1814, because occupancy 0.400 <= existing 0.600 in 1oltA Skipped atom 1816, because occupancy 0.400 <= existing 0.600 in 1oltA Skipped atom 1818, because occupancy 0.400 <= existing 0.600 in 1oltA Skipped atom 1820, because occupancy 0.400 <= existing 0.600 in 1oltA Skipped atom 1932, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1934, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1936, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1938, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1940, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1942, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1944, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1946, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 1948, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2007, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2009, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2011, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2012, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2014, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2015, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2017, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2019, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2021, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2022, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2024, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2025, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2027, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2028, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2030, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2031, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2033, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2034, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2048, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2050, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2052, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2054, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2056, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2058, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2060, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2062, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2064, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2097, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2099, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2101, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2103, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2105, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2107, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2109, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2111, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2113, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2115, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2117, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2208, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2210, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2212, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2214, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2216, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2218, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2220, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2222, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2265, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 2267, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 2269, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 2271, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 2273, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 2275, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 2277, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 2279, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 2281, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 2291, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2293, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2295, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2297, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2299, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2301, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2303, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2305, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2307, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2358, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2360, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2362, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2364, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2366, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2368, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2370, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2372, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2374, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2385, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2387, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2389, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2391, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2393, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2395, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2397, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2399, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2401, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2444, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2446, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2448, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2450, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2452, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2454, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2456, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2458, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2460, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2501, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2503, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2505, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2507, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2509, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2511, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2513, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2578, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2580, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2582, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2584, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2586, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2588, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2590, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2592, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2594, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2595, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2597, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2598, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2600, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2601, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2603, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2604, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2606, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2607, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2609, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2610, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2612, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2613, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2615, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2616, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 2644, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2646, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2648, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2650, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2652, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2654, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2656, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2658, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2660, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2662, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2664, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2673, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2675, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2677, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2679, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2681, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2683, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2685, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2687, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 2800, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2802, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2804, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2806, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2808, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2810, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2812, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2814, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2922, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2924, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2926, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2928, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2930, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2932, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2934, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 2936, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3008, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3010, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3012, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3014, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3016, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3018, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3020, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3022, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3024, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3026, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3028, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3030, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3063, because occupancy 0.200 <= existing 0.500 in 1oltA Skipped atom 3064, because occupancy 0.300 <= existing 0.500 in 1oltA Skipped atom 3066, because occupancy 0.200 <= existing 0.500 in 1oltA Skipped atom 3067, because occupancy 0.300 <= existing 0.500 in 1oltA Skipped atom 3069, because occupancy 0.200 <= existing 0.500 in 1oltA Skipped atom 3070, because occupancy 0.300 <= existing 0.500 in 1oltA Skipped atom 3072, because occupancy 0.200 <= existing 0.500 in 1oltA Skipped atom 3073, because occupancy 0.300 <= existing 0.500 in 1oltA Skipped atom 3075, because occupancy 0.200 <= existing 0.500 in 1oltA Skipped atom 3076, because occupancy 0.300 <= existing 0.500 in 1oltA Skipped atom 3078, because occupancy 0.200 <= existing 0.500 in 1oltA Skipped atom 3079, because occupancy 0.300 <= existing 0.500 in 1oltA Skipped atom 3081, because occupancy 0.200 <= existing 0.500 in 1oltA Skipped atom 3082, because occupancy 0.300 <= existing 0.500 in 1oltA Skipped atom 3084, because occupancy 0.200 <= existing 0.500 in 1oltA Skipped atom 3085, because occupancy 0.300 <= existing 0.500 in 1oltA Skipped atom 3087, because occupancy 0.200 <= existing 0.500 in 1oltA Skipped atom 3088, because occupancy 0.300 <= existing 0.500 in 1oltA Skipped atom 3090, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3092, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3094, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3096, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3098, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3100, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3102, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3104, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3106, because occupancy 0.200 <= existing 0.800 in 1oltA Skipped atom 3125, because occupancy 0.300 <= existing 0.800 in 1oltA Skipped atom 3127, because occupancy 0.300 <= existing 0.800 in 1oltA Skipped atom 3129, because occupancy 0.300 <= existing 0.800 in 1oltA Skipped atom 3131, because occupancy 0.300 <= existing 0.800 in 1oltA Skipped atom 3133, because occupancy 0.300 <= existing 0.800 in 1oltA Skipped atom 3135, because occupancy 0.300 <= existing 0.800 in 1oltA Skipped atom 3137, because occupancy 0.300 <= existing 0.800 in 1oltA Skipped atom 3139, because occupancy 0.300 <= existing 0.800 in 1oltA Skipped atom 3141, because occupancy 0.300 <= existing 0.800 in 1oltA Skipped atom 3272, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3274, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3276, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3278, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3280, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3282, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3284, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3286, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3308, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3310, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3312, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3314, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3316, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3318, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3320, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3322, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3324, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3326, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3328, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3352, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3354, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3356, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3358, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3360, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3362, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3364, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3366, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3436, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3438, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3440, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3442, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3444, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3446, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3448, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3450, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3477, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3478, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3480, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3481, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3483, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3484, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3486, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3487, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3489, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3490, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3492, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3493, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3495, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3496, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3498, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3499, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3501, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3502, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3504, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3505, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3507, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3508, because occupancy 0.330 <= existing 0.330 in 1oltA Skipped atom 3568, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3570, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3572, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3574, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3576, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3578, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3580, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3582, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3584, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3649, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3651, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3653, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3655, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3657, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3659, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3661, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3663, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3693, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3695, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3697, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3699, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3701, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3703, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3705, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3707, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3709, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3727, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3729, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3731, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3733, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3735, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3737, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3739, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3741, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3743, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3773, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3775, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3777, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3779, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3781, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3783, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3785, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3787, because occupancy 0.500 <= existing 0.500 in 1oltA Skipped atom 3935, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3937, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3939, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3941, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3943, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3945, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3947, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 3949, because occupancy 0.300 <= existing 0.700 in 1oltA Skipped atom 4052, because occupancy 0.400 <= existing 0.400 in 1oltA Skipped atom 4054, because occupancy 0.400 <= existing 0.400 in 1oltA Skipped atom 4056, because occupancy 0.400 <= existing 0.400 in 1oltA Skipped atom 4058, because occupancy 0.400 <= existing 0.400 in 1oltA Skipped atom 4060, because occupancy 0.400 <= existing 0.400 in 1oltA Skipped atom 4062, because occupancy 0.400 <= existing 0.400 in 1oltA Skipped atom 4064, because occupancy 0.400 <= existing 0.400 in 1oltA Skipped atom 4066, because occupancy 0.400 <= existing 0.400 in 1oltA # T0325 read from 1oltA/merged-good-all-a2m # 1oltA read from 1oltA/merged-good-all-a2m # adding 1oltA to template set # found chain 1oltA in template set Warning: unaligning (T0325)F90 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1oltA)C69 Warning: unaligning (T0325)W91 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1oltA)C69 Warning: unaligning (T0325)S128 because of BadResidue code BAD_PEPTIDE in next template residue (1oltA)G113 Warning: unaligning (T0325)H129 because of BadResidue code BAD_PEPTIDE at template residue (1oltA)G113 Warning: unaligning (T0325)D177 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1oltA)I208 Warning: unaligning (T0325)M179 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1oltA)I208 T0325 45 :LEAMESARISAPTLAIGVHLTLT 1oltA 38 :EQAFLQAVARYPERPLSLYVHIP T0325 70 :Q 1oltA 61 :F T0325 80 :VPSLV 1oltA 62 :CHKLC T0325 89 :Y 1oltA 67 :Y T0325 92 :H 1oltA 70 :G T0325 95 :IFEEKVNLEEVYNEWDAQIISFMKS 1oltA 75 :VTRQQHKADQYLDALEQEIVHRAPL T0325 120 :GRRPD 1oltA 102 :GRHVS T0325 125 :HID 1oltA 109 :HWG T0325 130 :HNVH 1oltA 114 :TPTY T0325 135 :KNKKLLGVALALARKY 1oltA 118 :LNKAQISRLMKLLREN T0325 154 :LRNASRSIE 1oltA 144 :IEVDPREIE T0325 164 :KDYLELY 1oltA 153 :LDVLDHL T0325 171 :QDVRTP 1oltA 201 :IGFTST T0325 180 :LYQFYDKAISTETILQLLDMVVCSEGEVFEINCHPAFID 1oltA 209 :DLIYGLPKQTPESFAFTLKRVAELNPDRLSVFNYAHLPT T0325 219 :TILQNQS 1oltA 250 :AAQRKIK T0325 226 :GYCMPRIREVEILT 1oltA 258 :ADLPSPQQKLDILQ T0325 242 :EVKEAIEERGILLAN 1oltA 272 :ETIAFLTQSGYQFIG Number of specific fragments extracted= 17 number of extra gaps= 3 total=2257 Number of alignments=151 # 1oltA read from 1oltA/merged-good-all-a2m # found chain 1oltA in template set Warning: unaligning (T0325)F90 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1oltA)C69 Warning: unaligning (T0325)W91 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1oltA)C69 Warning: unaligning (T0325)S128 because of BadResidue code BAD_PEPTIDE in next template residue (1oltA)G113 Warning: unaligning (T0325)H129 because of BadResidue code BAD_PEPTIDE at template residue (1oltA)G113 Warning: unaligning (T0325)D177 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1oltA)I208 Warning: unaligning (T0325)M179 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1oltA)I208 T0325 45 :LEAMESARISAPTLAIGVHLTLT 1oltA 38 :EQAFLQAVARYPERPLSLYVHIP T0325 70 :Q 1oltA 61 :F T0325 80 :VPSLV 1oltA 62 :CHKLC T0325 89 :Y 1oltA 67 :Y T0325 92 :HQSI 1oltA 70 :GCNK T0325 96 :FEEKVNLEEVYNEWDAQIISFMKS 1oltA 76 :TRQQHKADQYLDALEQEIVHRAPL T0325 120 :GRRPD 1oltA 102 :GRHVS T0325 125 :HID 1oltA 109 :HWG T0325 130 :HNVH 1oltA 114 :TPTY T0325 135 :KNKKLLGVALALARKY 1oltA 118 :LNKAQISRLMKLLREN T0325 152 :LPL 1oltA 134 :FQF T0325 155 :RNASRSIETKDYLELY 1oltA 144 :IEVDPREIELDVLDHL T0325 171 :QDVRTP 1oltA 201 :IGFTST T0325 180 :LYQFYDKAISTETILQLLDMVVCSEGEVFEINCHPAFID 1oltA 209 :DLIYGLPKQTPESFAFTLKRVAELNPDRLSVFNYAHLPT T0325 219 :TILQNQS 1oltA 250 :AAQRKIK T0325 226 :GYCMPRIREVEILT 1oltA 258 :ADLPSPQQKLDILQ T0325 242 :EVKEAIEERGILLA 1oltA 272 :ETIAFLTQSGYQFI Number of specific fragments extracted= 17 number of extra gaps= 3 total=2274 Number of alignments=152 # 1oltA read from 1oltA/merged-good-all-a2m # found chain 1oltA in template set Warning: unaligning (T0325)A10 because of BadResidue code BAD_PEPTIDE in next template residue (1oltA)G113 Warning: unaligning (T0325)H125 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1oltA)I208 Warning: unaligning (T0325)I126 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1oltA)I208 T0325 5 :KLIIN 1oltA 107 :QLHWG T0325 13 :FGYTPAVTQGIIEAHKRGV 1oltA 116 :TYLNKAQISRLMKLLRENF T0325 32 :VTSTTALPTSPYFLEAMESARI 1oltA 140 :AEISIEVDPREIELDVLDHLRA T0325 56 :PTLA 1oltA 162 :EGFN T0325 89 :YFWHQSIFEEKVNLEEVYNEW 1oltA 175 :NKEVQRLVNREQDEEFIFALL T0325 114 :ISFMKSGRRPD 1oltA 196 :NHAREIGFTST T0325 127 :DSHHNVHGKNKKLLGVALALARKYQLP 1oltA 209 :DLIYGLPKQTPESFAFTLKRVAELNPD T0325 154 :LRNASRSIETKDYLELYQDVRTP 1oltA 239 :VFNYAHLPTIFAAQRKIKDADLP T0325 185 :DKAISTETILQLLDMVVCSEGEVF 1oltA 262 :SPQQKLDILQETIAFLTQSGYQFI Number of specific fragments extracted= 9 number of extra gaps= 2 total=2283 Number of alignments=153 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1w5qA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1w5qA expands to /projects/compbio/data/pdb/1w5q.pdb.gz 1w5qA:Skipped atom 260, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 262, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 264, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 266, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 268, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 270, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 272, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 321, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 323, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 325, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 327, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 329, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 331, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 333, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 479, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 481, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 483, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 485, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 487, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 489, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 491, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 493, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 495, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 497, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 499, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 578, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 580, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 582, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 584, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 586, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 588, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 590, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 592, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 594, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 596, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 598, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 600, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 602, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 604, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 606, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 608, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 610, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 612, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 732, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 734, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 736, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 738, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 740, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 742, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 744, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 881, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 883, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 885, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 887, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 889, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 891, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 893, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 895, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 897, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 899, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 901, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 915, because occupancy 0.750 <= existing 0.750 in 1w5qA Skipped atom 917, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 919, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 921, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 923, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 925, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 927, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 929, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 931, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 933, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 935, because occupancy 0.250 <= existing 0.750 in 1w5qA Skipped atom 1078, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1080, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1082, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1084, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1086, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1088, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1090, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1092, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1094, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1121, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1123, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1125, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1127, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1129, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1131, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1133, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1135, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1137, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1139, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1272, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1274, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1276, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1278, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1280, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1282, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1284, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1286, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1310, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1312, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1314, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1316, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1318, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1320, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1322, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1324, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1326, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1328, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1330, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1375, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1377, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1379, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1381, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1383, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1385, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1387, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1389, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1391, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 1531, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1533, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1535, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1537, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1539, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1541, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1543, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1545, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1547, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1571, because occupancy 0.200 <= existing 0.800 in 1w5qA Skipped atom 1573, because occupancy 0.200 <= existing 0.800 in 1w5qA Skipped atom 1575, because occupancy 0.200 <= existing 0.800 in 1w5qA Skipped atom 1577, because occupancy 0.200 <= existing 0.800 in 1w5qA Skipped atom 1579, because occupancy 0.200 <= existing 0.800 in 1w5qA Skipped atom 1581, because occupancy 0.200 <= existing 0.800 in 1w5qA Skipped atom 1992, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1994, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1996, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 1998, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2000, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2002, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2004, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2006, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2015, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2017, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2019, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2021, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2023, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2025, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2027, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2029, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2058, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2060, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2062, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2064, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2066, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2068, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2070, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2072, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2124, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2126, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2128, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2130, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2132, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2134, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2136, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2138, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2140, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2142, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2144, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2181, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2183, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2185, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2187, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2189, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2191, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2193, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2195, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2197, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2210, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2212, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2214, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2216, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2218, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2220, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2222, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2224, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2226, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2228, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2230, because occupancy 0.500 <= existing 0.500 in 1w5qA Skipped atom 2333, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2335, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2337, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2339, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2341, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2343, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2345, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2347, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2359, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2361, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2363, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2365, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2367, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2369, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2371, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2373, because occupancy 0.300 <= existing 0.700 in 1w5qA Skipped atom 2470, because occupancy 0.400 <= existing 0.600 in 1w5qA Skipped atom 2472, because occupancy 0.400 <= existing 0.600 in 1w5qA Skipped atom 2474, because occupancy 0.400 <= existing 0.600 in 1w5qA Skipped atom 2476, because occupancy 0.400 <= existing 0.600 in 1w5qA Skipped atom 2478, because occupancy 0.400 <= existing 0.600 in 1w5qA Skipped atom 2480, because occupancy 0.400 <= existing 0.600 in 1w5qA Skipped atom 2482, because occupancy 0.400 <= existing 0.600 in 1w5qA Skipped atom 2484, because occupancy 0.400 <= existing 0.600 in 1w5qA # T0325 read from 1w5qA/merged-good-all-a2m # 1w5qA read from 1w5qA/merged-good-all-a2m # adding 1w5qA to template set # found chain 1w5qA in template set Warning: unaligning (T0325)N156 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (1w5qA)Y202 Warning: unaligning (T0325)S160 because of BadResidue code BAD_PEPTIDE in next template residue (1w5qA)S208 Warning: unaligning (T0325)I161 because of BadResidue code BAD_PEPTIDE at template residue (1w5qA)S208 Warning: unaligning (T0325)Y170 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1w5qA)N228 Warning: unaligning (T0325)E178 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1w5qA)N228 Warning: unaligning (T0325)P214 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1w5qA)G262 Warning: unaligning (T0325)A215 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1w5qA)G262 T0325 17 :PAVTQGIIEAHKRG 1w5qA 66 :DQLLIEAEEWVALG T0325 32 :VTSTTALPTSP 1w5qA 80 :IPALALFPVTP T0325 43 :YFLEAMESARISAPTLAIGVHLTLT 1w5qA 107 :IAQRATRALRERFPELGIITDVCLC T0325 73 :PILPR 1w5qA 132 :EFTTH T0325 79 :MVPSLVDEAGYFW 1w5qA 137 :GQCGILDDDGYVL T0325 102 :LEEVYNEWDAQIISFMKSGRRPDHIDS 1w5qA 150 :NDVSIDVLVRQALSHAEAGAQVVAPSD T0325 135 :KNKKLLGVALALARKY 1w5qA 177 :MMDGRIGAIREALESA T0325 151 :QLPLR 1w5qA 196 :NVRVM T0325 157 :ASR 1w5qA 204 :AKY T0325 162 :ETKDYLEL 1w5qA 209 :AYYGPFRD T0325 179 :MLYQFYDKAIS 1w5qA 229 :RATYQMDPANS T0325 191 :ETILQLLDMVVCS 1w5qA 240 :DEALHEVAADLAE T0325 206 :EVFEINCH 1w5qA 253 :GADMVMVK T0325 216 :F 1w5qA 263 :M T0325 226 :GYCMPRIREVEIL 1w5qA 264 :PYLDIVRRVKDEF Number of specific fragments extracted= 15 number of extra gaps= 3 total=2298 Number of alignments=154 # 1w5qA read from 1w5qA/merged-good-all-a2m # found chain 1w5qA in template set Warning: unaligning (T0325)S160 because of BadResidue code BAD_PEPTIDE in next template residue (1w5qA)S208 Warning: unaligning (T0325)I161 because of BadResidue code BAD_PEPTIDE at template residue (1w5qA)S208 Warning: unaligning (T0325)Y170 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1w5qA)N228 Warning: unaligning (T0325)E178 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1w5qA)N228 Warning: unaligning (T0325)P214 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1w5qA)G262 Warning: unaligning (T0325)A215 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1w5qA)G262 T0325 17 :PAVTQGIIEAHKRGVVTSTTALPT 1w5qA 66 :DQLLIEAEEWVALGIPALALFPVT T0325 42 :P 1w5qA 90 :P T0325 43 :YFLEAMESARISAPTLAIGVHLTLT 1w5qA 107 :IAQRATRALRERFPELGIITDVCLC T0325 73 :PILPRE 1w5qA 132 :EFTTHG T0325 80 :VPSLVDEAGYF 1w5qA 138 :QCGILDDDGYV T0325 101 :NLEEVYNEWDAQIISFMKSGRRPDHIDS 1w5qA 149 :LNDVSIDVLVRQALSHAEAGAQVVAPSD T0325 135 :KNKKLLGVALALARKYQLPLRNA 1w5qA 177 :MMDGRIGAIREALESAGHTNVRV T0325 158 :SR 1w5qA 205 :KY T0325 162 :ETKDYLEL 1w5qA 209 :AYYGPFRD T0325 179 :MLYQFYDKA 1w5qA 229 :RATYQMDPA T0325 189 :STETILQLLDMVVC 1w5qA 238 :NSDEALHEVAADLA T0325 205 :GEVFEINCH 1w5qA 252 :EGADMVMVK T0325 216 :FI 1w5qA 263 :MP T0325 227 :YCMPRIREVEIL 1w5qA 265 :YLDIVRRVKDEF Number of specific fragments extracted= 14 number of extra gaps= 2 total=2312 Number of alignments=155 # 1w5qA read from 1w5qA/merged-good-all-a2m # found chain 1w5qA in template set Warning: unaligning (T0325)S160 because of BadResidue code BAD_PEPTIDE in next template residue (1w5qA)S208 Warning: unaligning (T0325)I161 because of BadResidue code BAD_PEPTIDE at template residue (1w5qA)S208 Warning: unaligning (T0325)M179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1w5qA)N228 Warning: unaligning (T0325)P214 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1w5qA)G262 Warning: unaligning (T0325)A215 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1w5qA)G262 T0325 26 :AHKRG 1w5qA 75 :WVALG T0325 32 :VTSTTALPTSP 1w5qA 80 :IPALALFPVTP T0325 43 :YFLEAMESARISAPTLAIGVHLTLTLN 1w5qA 107 :IAQRATRALRERFPELGIITDVCLCEF T0325 74 :ILPREMVPSLVDEAG 1w5qA 134 :TTHGQCGILDDDGYV T0325 101 :NLEEVYNEWDAQIISFMKSGRRP 1w5qA 149 :LNDVSIDVLVRQALSHAEAGAQV T0325 126 :IDSH 1w5qA 172 :VAPS T0325 133 :HGK 1w5qA 176 :DMM T0325 137 :KKLLGVALALARKYQLPLRNA 1w5qA 179 :DGRIGAIREALESAGHTNVRV T0325 158 :SR 1w5qA 205 :KY T0325 162 :ETKDYLEL 1w5qA 209 :AYYGPFRD T0325 180 :LYQFYDKAISTETILQLLDMVVCS 1w5qA 229 :RATYQMDPANSDEALHEVAADLAE T0325 206 :EVFEINCH 1w5qA 253 :GADMVMVK T0325 216 :FID 1w5qA 263 :MPY T0325 219 :TI 1w5qA 267 :DI T0325 231 :RIREVEIL 1w5qA 269 :VRRVKDEF Number of specific fragments extracted= 15 number of extra gaps= 2 total=2327 Number of alignments=156 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1xw8A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1xw8A expands to /projects/compbio/data/pdb/1xw8.pdb.gz 1xw8A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0325 read from 1xw8A/merged-good-all-a2m # 1xw8A read from 1xw8A/merged-good-all-a2m # adding 1xw8A to template set # found chain 1xw8A in template set Warning: unaligning (T0325)K4 because first residue in template chain is (1xw8A)M1 Warning: unaligning (T0325)P73 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xw8A)S69 Warning: unaligning (T0325)F96 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xw8A)S69 T0325 5 :KLIINADDFGYTPAVTQGIIE 1xw8A 2 :KIDLNADLGEGCASDAELLTL T0325 32 :VTSTTALPTS 1xw8A 23 :VSSANIACGF T0325 42 :PYFLEAMESAR 1xw8A 38 :QIMQACVREAI T0325 54 :SA 1xw8A 49 :KN T0325 57 :TLAIGVH 1xw8A 51 :GVAIGAH T0325 70 :QAK 1xw8A 58 :PSF T0325 97 :EEKVNLEEVYNEWDAQIISFMK 1xw8A 70 :AMQLPPETVYAQTLYQIGALAT T0325 119 :SGRRPDHIDSH 1xw8A 96 :QGGVMRHVKPH T0325 130 :HNVH 1xw8A 111 :NQAA T0325 135 :KNKKLLGVALALARKY 1xw8A 115 :KEAQLADAIARAVYAC T0325 151 :QLPLRNASR 1xw8A 133 :ALILVGLAG T0325 164 :KDYLELY 1xw8A 142 :SELIRAG T0325 204 :EGEVF 1xw8A 204 :TGEWA T0325 209 :EINCHP 1xw8A 214 :TVCLHG Number of specific fragments extracted= 14 number of extra gaps= 0 total=2341 Number of alignments=157 # 1xw8A read from 1xw8A/merged-good-all-a2m # found chain 1xw8A in template set Warning: unaligning (T0325)K4 because first residue in template chain is (1xw8A)M1 Warning: unaligning (T0325)P76 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xw8A)S69 Warning: unaligning (T0325)F96 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xw8A)S69 Warning: unaligning (T0325)R174 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xw8A)E184 Warning: unaligning (T0325)K186 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xw8A)E184 Warning: unaligning (T0325)F216 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xw8A)H223 Warning: unaligning (T0325)D218 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xw8A)H223 T0325 5 :KLIINADDFGYTPAVTQGII 1xw8A 2 :KIDLNADLGEGCASDAELLT T0325 31 :VVTSTTALPTS 1xw8A 22 :LVSSANIACGF T0325 42 :PYFLEAMESAR 1xw8A 38 :QIMQACVREAI T0325 54 :SA 1xw8A 49 :KN T0325 57 :TLAIGVH 1xw8A 51 :GVAIGAH T0325 73 :PIL 1xw8A 58 :PSF T0325 97 :EEKVNLEEVYNEWDAQIISFMK 1xw8A 70 :AMQLPPETVYAQTLYQIGALAT T0325 119 :SGRRPDHIDSH 1xw8A 96 :QGGVMRHVKPH T0325 130 :HNVH 1xw8A 111 :NQAA T0325 135 :KNKKLLGVALAL 1xw8A 115 :KEAQLADAIARA T0325 147 :ARKYQLPLRNASR 1xw8A 148 :GKQYGLTTREEVF T0325 160 :SIETKDYLELYQDV 1xw8A 164 :GYQADGSLVPRSQS T0325 187 :AISTETILQLLDM 1xw8A 185 :EQALAQTLEMVQH T0325 202 :CSEGEVF 1xw8A 202 :SITGEWA T0325 209 :EINCHPA 1xw8A 214 :TVCLHGD T0325 219 :TI 1xw8A 224 :AL T0325 229 :MPRI 1xw8A 226 :AFAR T0325 242 :EVKEA 1xw8A 230 :RLRSA Number of specific fragments extracted= 18 number of extra gaps= 0 total=2359 Number of alignments=158 # 1xw8A read from 1xw8A/merged-good-all-a2m # found chain 1xw8A in template set Warning: unaligning (T0325)K4 because first residue in template chain is (1xw8A)M1 Warning: unaligning (T0325)M79 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xw8A)S69 Warning: unaligning (T0325)A87 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xw8A)S69 T0325 5 :KLIINADDFGYTPAVTQGII 1xw8A 2 :KIDLNADLGEGCASDAELLT T0325 31 :VVTSTTALPTS 1xw8A 22 :LVSSANIACGF T0325 42 :PYFLEAMESARI 1xw8A 38 :QIMQACVREAIK T0325 56 :PTLAIGVH 1xw8A 50 :NGVAIGAH T0325 71 :AKP 1xw8A 58 :PSF T0325 97 :EEKVNLEEVYNEWDAQIISFMK 1xw8A 70 :AMQLPPETVYAQTLYQIGALAT T0325 119 :SGRRPDHIDSH 1xw8A 96 :QGGVMRHVKPH T0325 137 :KKLLGVA 1xw8A 107 :GMLYNQA T0325 187 :AISTETILQLLDMVVCSEGEVFEINC 1xw8A 114 :AKEAQLADAIARAVYACDPALILVGL T0325 217 :IDT 1xw8A 140 :AGS T0325 242 :EVKEAIEERGILLAN 1xw8A 143 :ELIRAGKQYGLTTRE Number of specific fragments extracted= 11 number of extra gaps= 0 total=2370 Number of alignments=159 # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0325//projects/compbio/experiments/protein-predict/casp7/T0325/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0325//projects/compbio/experiments/protein-predict/casp7/T0325/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0325/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0325/align.constraints_v3.costfcn # future Constraint commands -> align # future HelixConstraint commands -> align # future StrandConstraint commands -> align # future SheetConstraint commands -> align # future Hbond commands -> align # future SSbond commands -> align # Constraint # added constraint: constraint((T0325)H125.CB, (T0325)R155.CB) [> 3.4964 = 5.8273 < 7.5754] w=1.0000 to align # Constraint # added constraint: constraint((T0325)I126.CB, (T0325)L154.CB) [> 3.4769 = 5.7949 < 7.5334] w=0.9634 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)L58.CB) [> 3.6292 = 6.0486 < 7.8632] w=0.9232 to align # Constraint # added constraint: constraint((T0325)M48.CB, (T0325)I60.CB) [> 3.7386 = 6.2310 < 8.1003] w=0.9200 to align # Constraint # added constraint: constraint((T0325)P123.CB, (T0325)L152.CB) [> 3.7356 = 6.2259 < 8.0937] w=0.9186 to align # Constraint # added constraint: constraint((T0325)A51.CB, (T0325)I60.CB) [> 3.2698 = 5.4496 < 7.0845] w=0.9063 to align # Constraint # added constraint: constraint((T0325)D124.CB, (T0325)L152.CB) [> 3.7369 = 6.2282 < 8.0966] w=0.9009 to align # Constraint # added constraint: constraint((T0325)I126.CB, (T0325)R155.CB) [> 3.9870 = 6.6450 < 8.6385] w=0.8988 to align # Constraint # added constraint: constraint((T0325)V62.CB, (T0325)H125.CB) [> 4.0158 = 6.6930 < 8.7009] w=0.8788 to align # Constraint # added constraint: constraint((T0325)T35.CB, (T0325)G61.CA) [> 3.8462 = 6.4104 < 8.3335] w=0.8713 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)A59.CB) [> 3.3594 = 5.5991 < 7.2788] w=0.8690 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)G61.CA) [> 3.5562 = 5.9270 < 7.7050] w=0.8490 to align # Constraint # added constraint: constraint((T0325)H125.CB, (T0325)L154.CB) [> 4.0511 = 6.7517 < 8.7773] w=0.8405 to align # Constraint # added constraint: constraint((T0325)T33.CB, (T0325)A59.CB) [> 3.5774 = 5.9623 < 7.7510] w=0.8146 to align # Constraint # added constraint: constraint((T0325)T35.CB, (T0325)I60.CB) [> 3.7220 = 6.2032 < 8.0642] w=0.8045 to align # Constraint # added constraint: constraint((T0325)M117.CB, (T0325)Y150.CB) [> 3.6740 = 6.1233 < 7.9603] w=0.7946 to align # Constraint # added constraint: constraint((T0325)L144.CB, (T0325)L154.CB) [> 3.6129 = 6.0215 < 7.8279] w=0.7930 to align # Constraint # added constraint: constraint((T0325)I113.CB, (T0325)L146.CB) [> 3.8278 = 6.3797 < 8.2936] w=0.7793 to align # Constraint # added constraint: constraint((T0325)G61.CA, (T0325)P123.CB) [> 3.3047 = 5.5078 < 7.1601] w=0.7596 to align # Constraint # added constraint: constraint((T0325)T33.CB, (T0325)L58.CB) [> 3.8405 = 6.4009 < 8.3211] w=0.7575 to align # Constraint # added constraint: constraint((T0325)G61.CA, (T0325)H125.CB) [> 3.1208 = 5.2014 < 6.7618] w=0.7538 to align # Constraint # added constraint: constraint((T0325)T35.CB, (T0325)A59.CB) [> 3.8561 = 6.4268 < 8.3549] w=0.7533 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)I60.CB) [> 3.9123 = 6.5206 < 8.4767] w=0.7483 to align # Constraint # added constraint: constraint((T0325)D110.CB, (T0325)L146.CB) [> 3.1312 = 5.2187 < 6.7844] w=0.7461 to align # Constraint # added constraint: constraint((T0325)M48.CB, (T0325)S119.CB) [> 3.1928 = 5.3213 < 6.9177] w=0.7363 to align # Constraint # added constraint: constraint((T0325)V62.CB, (T0325)P123.CB) [> 3.5639 = 5.9398 < 7.7217] w=0.7355 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)I60.CB) [> 3.8493 = 6.4155 < 8.3401] w=0.7309 to align # Constraint # added constraint: constraint((T0325)T35.CB, (T0325)L58.CB) [> 3.7179 = 6.1964 < 8.0554] w=0.7084 to align # Constraint # added constraint: constraint((T0325)M48.CB, (T0325)F116.CB) [> 3.8879 = 6.4798 < 8.4237] w=0.6928 to align # Constraint # added constraint: constraint((T0325)I60.CB, (T0325)P123.CB) [> 3.5376 = 5.8960 < 7.6648] w=0.6923 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)S34.CB) [> 3.7112 = 6.1854 < 8.0410] w=0.6833 to align # Constraint # added constraint: constraint((T0325)D124.CB, (T0325)P153.CB) [> 3.7686 = 6.2810 < 8.1653] w=0.6809 to align # Constraint # added constraint: constraint((T0325)G61.CA, (T0325)D124.CB) [> 3.7521 = 6.2535 < 8.1295] w=0.6735 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)V62.CB) [> 3.8610 = 6.4351 < 8.3656] w=0.6734 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)T35.CB) [> 3.8145 = 6.3575 < 8.2647] w=0.6709 to align # Constraint # added constraint: constraint((T0325)I113.CB, (T0325)Y150.CB) [> 3.5534 = 5.9224 < 7.6991] w=0.6685 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)T36.CB) [> 3.6826 = 6.1377 < 7.9790] w=0.6642 to align # Constraint # added constraint: constraint((T0325)A143.CB, (T0325)L154.CB) [> 3.9756 = 6.6259 < 8.6137] w=0.6633 to align # Constraint # added constraint: constraint((T0325)I113.CB, (T0325)A147.CB) [> 3.9678 = 6.6131 < 8.5970] w=0.6608 to align # Constraint # added constraint: constraint((T0325)V62.CB, (T0325)I126.CB) [> 3.0697 = 5.1162 < 6.6510] w=0.6602 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)H63.CB) [> 3.3533 = 5.5888 < 7.2654] w=0.6591 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)T35.CB) [> 3.7804 = 6.3006 < 8.1908] w=0.6589 to align # Constraint # added constraint: constraint((T0325)D127.CB, (T0325)N156.CB) [> 4.0884 = 6.8140 < 8.8581] w=0.6506 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)A37.CB) [> 3.9523 = 6.5871 < 8.5633] w=0.6430 to align # Constraint # added constraint: constraint((T0325)E49.CB, (T0325)S119.CB) [> 3.6309 = 6.0514 < 7.8668] w=0.6385 to align # Constraint # added constraint: constraint((T0325)I126.CB, (T0325)A143.CB) [> 3.6695 = 6.1159 < 7.9506] w=0.6328 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)H63.CB) [> 3.4960 = 5.8267 < 7.5747] w=0.6315 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)A143.CB) [> 3.6042 = 6.0071 < 7.8092] w=0.6307 to align # Constraint # added constraint: constraint((T0325)W109.CB, (T0325)I126.CB) [> 4.0196 = 6.6994 < 8.7092] w=0.6301 to align # Constraint # added constraint: constraint((T0325)M117.CB, (T0325)L152.CB) [> 3.6070 = 6.0117 < 7.8152] w=0.6266 to align # Constraint # added constraint: constraint((T0325)H125.CB, (T0325)L152.CB) [> 3.6864 = 6.1440 < 7.9872] w=0.6219 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)T36.CB) [> 3.6390 = 6.0650 < 7.8845] w=0.6125 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)G61.CA) [> 3.9725 = 6.6209 < 8.6071] w=0.6123 to align # Constraint # added constraint: constraint((T0325)V62.CB, (T0325)F116.CB) [> 3.4086 = 5.6809 < 7.3852] w=0.6056 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)G61.CA) [> 3.5538 = 5.9230 < 7.6999] w=0.5999 to align # Constraint # added constraint: constraint((T0325)L45.CB, (T0325)S119.CB) [> 3.3004 = 5.5006 < 7.1508] w=0.5948 to align # Constraint # added constraint: constraint((T0325)I60.CB, (T0325)R121.CB) [> 3.4861 = 5.8101 < 7.5531] w=0.5947 to align # Constraint # added constraint: constraint((T0325)D127.CB, (T0325)A157.CB) [> 3.5518 = 5.9196 < 7.6955] w=0.5932 to align # Constraint # added constraint: constraint((T0325)G61.CA, (T0325)I126.CB) [> 3.9552 = 6.5921 < 8.5697] w=0.5796 to align # Constraint # added constraint: constraint((T0325)I23.CB, (T0325)S34.CB) [> 4.0837 = 6.8062 < 8.8481] w=0.5764 to align # Constraint # added constraint: constraint((T0325)W109.CB, (T0325)A143.CB) [> 3.8780 = 6.4633 < 8.4023] w=0.5730 to align # Constraint # added constraint: constraint((T0325)R52.CB, (T0325)R121.CB) [> 3.7694 = 6.2823 < 8.1670] w=0.5710 to align # Constraint # added constraint: constraint((T0325)H27.CB, (T0325)L58.CB) [> 3.9170 = 6.5283 < 8.4868] w=0.5626 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)T35.CB) [> 3.4542 = 5.7570 < 7.4841] w=0.5613 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)N156.CB) [> 3.5350 = 5.8916 < 7.6591] w=0.5557 to align # Constraint # added constraint: constraint((T0325)I126.CB, (T0325)N156.CB) [> 3.6206 = 6.0344 < 7.8447] w=0.5543 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)S34.CB) [> 3.4543 = 5.7571 < 7.4842] w=0.5477 to align # Constraint # added constraint: constraint((T0325)V62.CB, (T0325)D127.CB) [> 4.0602 = 6.7670 < 8.7971] w=0.5468 to align # Constraint # added constraint: constraint((T0325)I114.CB, (T0325)Y150.CB) [> 3.7116 = 6.1860 < 8.0418] w=0.5467 to align # Constraint # added constraint: constraint((T0325)I126.CB, (T0325)A147.CB) [> 3.7345 = 6.2242 < 8.0915] w=0.5463 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)L139.CB) [> 3.3289 = 5.5481 < 7.2126] w=0.5445 to align # Constraint # added constraint: constraint((T0325)D124.CB, (T0325)R155.CB) [> 4.0888 = 6.8147 < 8.8591] w=0.5437 to align # Constraint # added constraint: constraint((T0325)H63.CB, (T0325)D127.CB) [> 3.2789 = 5.4648 < 7.1042] w=0.5384 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)H63.CB) [> 3.5440 = 5.9067 < 7.6787] w=0.5349 to align # Constraint # added constraint: constraint((T0325)Y106.CB, (T0325)V142.CB) [> 3.0127 = 5.0212 < 6.5276] w=0.5318 to align # Constraint # added constraint: constraint((T0325)M48.CB, (T0325)R121.CB) [> 3.3233 = 5.5389 < 7.2005] w=0.5307 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)L154.CB) [> 3.8631 = 6.4385 < 8.3701] w=0.5304 to align # Constraint # added constraint: constraint((T0325)H125.CB, (T0325)P153.CB) [> 3.3191 = 5.5319 < 7.1915] w=0.5228 to align # Constraint # added constraint: constraint((T0325)R52.CB, (T0325)G120.CA) [> 3.7915 = 6.3192 < 8.2150] w=0.5184 to align # Constraint # added constraint: constraint((T0325)L197.CB, (T0325)I210.CB) [> 3.7081 = 6.1802 < 8.0343] w=0.5178 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)V62.CB) [> 3.8919 = 6.4866 < 8.4326] w=0.5158 to align # Constraint # added constraint: constraint((T0325)G61.CA, (T0325)D127.CB) [> 4.1375 = 6.8958 < 8.9645] w=0.5123 to align # Constraint # added constraint: constraint((T0325)F44.CB, (T0325)F116.CB) [> 3.5456 = 5.9094 < 7.6822] w=0.5050 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)S34.CB) [> 3.7499 = 6.2499 < 8.1249] w=0.5032 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)I60.CB) [> 3.9716 = 6.6194 < 8.6052] w=0.4980 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)T35.CB) [> 3.9429 = 6.5715 < 8.5429] w=0.4975 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)A37.CB) [> 3.3416 = 5.5693 < 7.2401] w=0.4972 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)A47.CB) [> 3.8113 = 6.3522 < 8.2579] w=0.4946 to align # Constraint # added constraint: constraint((T0325)I126.CB, (T0325)A157.CB) [> 4.0874 = 6.8124 < 8.8561] w=0.4840 to align # Constraint # added constraint: constraint((T0325)Y106.CB, (T0325)L146.CB) [> 3.6253 = 6.0421 < 7.8548] w=0.4811 to align # Constraint # added constraint: constraint((T0325)I113.CB, (T0325)P123.CB) [> 3.8425 = 6.4042 < 8.3254] w=0.4774 to align # Constraint # added constraint: constraint((T0325)V62.CB, (T0325)I113.CB) [> 3.8837 = 6.4728 < 8.4146] w=0.4719 to align # Constraint # added constraint: constraint((T0325)I60.CB, (T0325)R122.CB) [> 3.8657 = 6.4428 < 8.3756] w=0.4695 to align # Constraint # added constraint: constraint((T0325)L102.CB, (T0325)K138.CB) [> 3.6337 = 6.0562 < 7.8731] w=0.4685 to align # Constraint # added constraint: constraint((T0325)K5.CB, (T0325)T33.CB) [> 3.3053 = 5.5089 < 7.1615] w=0.4669 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)A47.CB) [> 3.3879 = 5.6465 < 7.3405] w=0.4633 to align # Constraint # added constraint: constraint((T0325)W109.CB, (T0325)V142.CB) [> 3.9630 = 6.6051 < 8.5866] w=0.4631 to align # Constraint # added constraint: constraint((T0325)D110.CB, (T0325)V142.CB) [> 3.7711 = 6.2852 < 8.1707] w=0.4609 to align # Constraint # added constraint: constraint((T0325)A59.CB, (T0325)H125.CB) [> 4.2439 = 7.0732 < 9.1952] w=0.4592 to align # Constraint # added constraint: constraint((T0325)D124.CB, (T0325)L154.CB) [> 3.6465 = 6.0776 < 7.9008] w=0.4541 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)M48.CB) [> 4.2164 = 7.0273 < 9.1355] w=0.4540 to align # Constraint # added constraint: constraint((T0325)L45.CB, (T0325)S115.CB) [> 3.5861 = 5.9769 < 7.7700] w=0.4524 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)A157.CB) [> 4.1347 = 6.8912 < 8.9585] w=0.4501 to align # Constraint # added constraint: constraint((T0325)V105.CB, (T0325)L139.CB) [> 3.9685 = 6.6141 < 8.5983] w=0.4488 to align # Constraint # added constraint: constraint((T0325)I193.CB, (T0325)V243.CB) [> 4.1740 = 6.9567 < 9.0437] w=0.4446 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)S34.CB) [> 3.9272 = 6.5454 < 8.5090] w=0.4409 to align # Constraint # added constraint: constraint((T0325)L64.CB, (T0325)I126.CB) [> 3.3569 = 5.5948 < 7.2733] w=0.4389 to align # Constraint # added constraint: constraint((T0325)L102.CB, (T0325)V142.CB) [> 3.2612 = 5.4353 < 7.0659] w=0.4385 to align # Constraint # added constraint: constraint((T0325)I126.CB, (T0325)P153.CB) [> 4.1576 = 6.9293 < 9.0082] w=0.4346 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)H63.CB) [> 3.6199 = 6.0331 < 7.8430] w=0.4314 to align # Constraint # added constraint: constraint((T0325)H63.CB, (T0325)I126.CB) [> 4.4371 = 7.3952 < 9.6138] w=0.4286 to align # Constraint # added constraint: constraint((T0325)L197.CB, (T0325)V243.CB) [> 3.5036 = 5.8393 < 7.5911] w=0.4247 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)T33.CB) [> 3.6539 = 6.0899 < 7.9168] w=0.4220 to align # Constraint # added constraint: constraint((T0325)I113.CB, (T0325)I126.CB) [> 3.9298 = 6.5497 < 8.5146] w=0.4218 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)N211.CB) [> 3.6900 = 6.1500 < 7.9950] w=0.4194 to align # Constraint # added constraint: constraint((T0325)L140.CB, (T0325)N156.CB) [> 3.8867 = 6.4778 < 8.4212] w=0.4173 to align # Constraint # added constraint: constraint((T0325)I23.CB, (T0325)A55.CB) [> 3.8942 = 6.4903 < 8.4373] w=0.4162 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)L58.CB) [> 3.6322 = 6.0536 < 7.8698] w=0.4116 to align # Constraint # added constraint: constraint((T0325)L66.CB, (T0325)V105.CB) [> 3.7898 = 6.3163 < 8.2112] w=0.4109 to align # Constraint # added constraint: constraint((T0325)V32.CB, (T0325)L58.CB) [> 3.8873 = 6.4789 < 8.4225] w=0.4103 to align # Constraint # added constraint: constraint((T0325)K5.CB, (T0325)V32.CB) [> 3.9687 = 6.6145 < 8.5988] w=0.4102 to align # Constraint # added constraint: constraint((T0325)I23.CB, (T0325)L58.CB) [> 3.8698 = 6.4497 < 8.3846] w=0.4093 to align # Constraint # added constraint: constraint((T0325)K244.CB, (T0325)L254.CB) [> 3.7173 = 6.1954 < 8.0541] w=0.4055 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)I210.CB) [> 3.5094 = 5.8490 < 7.6037] w=0.4034 to align # Constraint # added constraint: constraint((T0325)F44.CB, (T0325)V62.CB) [> 3.7016 = 6.1693 < 8.0201] w=0.4018 to align # Constraint # added constraint: constraint((T0325)I23.CB, (T0325)A51.CB) [> 3.9023 = 6.5039 < 8.4550] w=0.4013 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)V62.CB) [> 4.0956 = 6.8259 < 8.8737] w=0.4011 to align # Constraint # added constraint: constraint((T0325)V105.CB, (T0325)V142.CB) [> 3.4617 = 5.7694 < 7.5003] w=0.4004 to align # Constraint # added constraint: constraint((T0325)I60.CB, (T0325)F116.CB) [> 4.0047 = 6.6744 < 8.6768] w=0.3989 to align # Constraint # added constraint: constraint((T0325)D127.CB, (T0325)L154.CB) [> 3.7251 = 6.2085 < 8.0710] w=0.3958 to align # Constraint # added constraint: constraint((T0325)L197.CB, (T0325)A246.CB) [> 3.6092 = 6.0154 < 7.8200] w=0.3958 to align # Constraint # added constraint: constraint((T0325)T20.CB, (T0325)S50.CB) [> 3.6855 = 6.1425 < 7.9853] w=0.3938 to align # Constraint # added constraint: constraint((T0325)T20.CB, (T0325)A47.CB) [> 3.7649 = 6.2748 < 8.1573] w=0.3929 to align # Constraint # added constraint: constraint((T0325)L197.CB, (T0325)I247.CB) [> 4.0950 = 6.8250 < 8.8726] w=0.3927 to align # Constraint # added constraint: constraint((T0325)I60.CB, (T0325)D124.CB) [> 3.7325 = 6.2209 < 8.0871] w=0.3903 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)L140.CB) [> 3.4583 = 5.7639 < 7.4930] w=0.3884 to align # Constraint # added constraint: constraint((T0325)D11.CB, (T0325)T36.CB) [> 3.9523 = 6.5872 < 8.5634] w=0.3843 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)T35.CB) [> 4.2082 = 7.0137 < 9.1178] w=0.3825 to align # Constraint # added constraint: constraint((T0325)I24.CB, (T0325)P56.CB) [> 3.6456 = 6.0760 < 7.8988] w=0.3825 to align # Constraint # added constraint: constraint((T0325)V19.CB, (T0325)A47.CB) [> 3.6574 = 6.0956 < 7.9243] w=0.3807 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)V32.CB) [> 3.6780 = 6.1299 < 7.9689] w=0.3796 to align # Constraint # added constraint: constraint((T0325)V200.CB, (T0325)I210.CB) [> 3.6774 = 6.1290 < 7.9677] w=0.3779 to align # Constraint # added constraint: constraint((T0325)L66.CB, (T0325)W109.CB) [> 4.1222 = 6.8703 < 8.9314] w=0.3758 to align # Constraint # added constraint: constraint((T0325)G61.CA, (T0325)F116.CB) [> 4.3693 = 7.2822 < 9.4669] w=0.3736 to align # Constraint # added constraint: constraint((T0325)L64.CB, (T0325)D127.CB) [> 3.7516 = 6.2526 < 8.1284] w=0.3722 to align # Constraint # added constraint: constraint((T0325)C212.CB, (T0325)R231.CB) [> 3.4606 = 5.7676 < 7.4979] w=0.3701 to align # Constraint # added constraint: constraint((T0325)N156.CB, (T0325)E209.CB) [> 3.9458 = 6.5763 < 8.5492] w=0.3667 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)T33.CB) [> 3.9780 = 6.6300 < 8.6190] w=0.3656 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)I210.CB) [> 3.8086 = 6.3476 < 8.2519] w=0.3640 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)Q112.CB) [> 3.9251 = 6.5418 < 8.5043] w=0.3633 to align # Constraint # added constraint: constraint((T0325)T190.CB, (T0325)E242.CB) [> 3.8958 = 6.4929 < 8.4408] w=0.3626 to align # Constraint # added constraint: constraint((T0325)V132.CB, (T0325)N156.CB) [> 3.9790 = 6.6317 < 8.6212] w=0.3620 to align # Constraint # added constraint: constraint((T0325)D11.CB, (T0325)A37.CB) [> 3.9237 = 6.5395 < 8.5013] w=0.3571 to align # Constraint # added constraint: constraint((T0325)I24.CB, (T0325)S50.CB) [> 3.5779 = 5.9631 < 7.7521] w=0.3565 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)F208.CB) [> 4.1054 = 6.8424 < 8.8951] w=0.3564 to align # Constraint # added constraint: constraint((T0325)H129.CB, (T0325)N156.CB) [> 3.9958 = 6.6596 < 8.6575] w=0.3548 to align # Constraint # added constraint: constraint((T0325)T35.CB, (T0325)A51.CB) [> 3.3544 = 5.5907 < 7.2679] w=0.3507 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)V32.CB) [> 3.5065 = 5.8442 < 7.5975] w=0.3494 to align # Constraint # added constraint: constraint((T0325)M48.CB, (T0325)V62.CB) [> 3.9550 = 6.5916 < 8.5691] w=0.3489 to align # Constraint # added constraint: constraint((T0325)C212.CB, (T0325)E234.CB) [> 3.8116 = 6.3527 < 8.2585] w=0.3480 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)C212.CB) [> 3.3944 = 5.6573 < 7.3545] w=0.3456 to align # Constraint # added constraint: constraint((T0325)L66.CB, (T0325)S128.CB) [> 3.7865 = 6.3109 < 8.2041] w=0.3452 to align # Constraint # added constraint: constraint((T0325)V62.CB, (T0325)Q112.CB) [> 3.3012 = 5.5020 < 7.1526] w=0.3414 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)I23.CB) [> 4.0234 = 6.7057 < 8.7175] w=0.3384 to align # Constraint # added constraint: constraint((T0325)A59.CB, (T0325)P123.CB) [> 3.7407 = 6.2346 < 8.1049] w=0.3383 to align # Constraint # added constraint: constraint((T0325)P123.CB, (T0325)R155.CB) [> 3.8014 = 6.3357 < 8.2364] w=0.3382 to align # Constraint # added constraint: constraint((T0325)W109.CB, (T0325)L139.CB) [> 3.6520 = 6.0866 < 7.9126] w=0.3374 to align # Constraint # added constraint: constraint((T0325)I23.CB, (T0325)S54.CB) [> 4.1360 = 6.8932 < 8.9612] w=0.3369 to align # Constraint # added constraint: constraint((T0325)T65.CB, (T0325)I126.CB) [> 4.2126 = 7.0211 < 9.1274] w=0.3351 to align # Constraint # added constraint: constraint((T0325)V19.CB, (T0325)S50.CB) [> 4.2533 = 7.0887 < 9.2154] w=0.3351 to align # Constraint # added constraint: constraint((T0325)F208.CB, (T0325)L253.CB) [> 3.3671 = 5.6118 < 7.2953] w=0.3342 to align # Constraint # added constraint: constraint((T0325)I193.CB, (T0325)E234.CB) [> 3.3588 = 5.5980 < 7.2774] w=0.3333 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)T65.CB) [> 3.5373 = 5.8955 < 7.6641] w=0.3316 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)I210.CB) [> 4.1716 = 6.9527 < 9.0385] w=0.3308 to align # Constraint # added constraint: constraint((T0325)H129.CB, (T0325)A157.CB) [> 3.7379 = 6.2298 < 8.0988] w=0.3304 to align # Constraint # added constraint: constraint((T0325)D11.CB, (T0325)L38.CB) [> 4.0582 = 6.7636 < 8.7927] w=0.3295 to align # Constraint # added constraint: constraint((T0325)T20.CB, (T0325)A51.CB) [> 4.0472 = 6.7454 < 8.7690] w=0.3285 to align # Constraint # added constraint: constraint((T0325)S41.CB, (T0325)S115.CB) [> 3.6030 = 6.0050 < 7.8064] w=0.3284 to align # Constraint # added constraint: constraint((T0325)T35.CB, (T0325)H63.CB) [> 3.8037 = 6.3394 < 8.2413] w=0.3280 to align # Constraint # added constraint: constraint((T0325)T190.CB, (T0325)R233.CB) [> 3.2930 = 5.4883 < 7.1348] w=0.3253 to align # Constraint # added constraint: constraint((T0325)D12.CB, (T0325)A37.CB) [> 4.1410 = 6.9016 < 8.9721] w=0.3234 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)T36.CB) [> 3.7898 = 6.3163 < 8.2112] w=0.3227 to align # Constraint # added constraint: constraint((T0325)N131.CB, (T0325)A157.CB) [> 3.6564 = 6.0940 < 7.9222] w=0.3169 to align # Constraint # added constraint: constraint((T0325)A47.CB, (T0325)I60.CB) [> 4.0732 = 6.7887 < 8.8253] w=0.3154 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)D127.CB) [> 4.2235 = 7.0391 < 9.1508] w=0.3145 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)C212.CB) [> 3.9784 = 6.6306 < 8.6198] w=0.3077 to align # Constraint # added constraint: constraint((T0325)T65.CB, (T0325)D127.CB) [> 3.2749 = 5.4582 < 7.0957] w=0.3051 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)E209.CB) [> 3.4759 = 5.7932 < 7.5311] w=0.3046 to align # Constraint # added constraint: constraint((T0325)T33.CB, (T0325)A255.CB) [> 4.1937 = 6.9895 < 9.0864] w=0.3029 to align # Constraint # added constraint: constraint((T0325)H63.CB, (T0325)H125.CB) [> 3.7705 = 6.2841 < 8.1693] w=0.3023 to align # Constraint # added constraint: constraint((T0325)H27.CB, (T0325)P56.CB) [> 4.2049 = 7.0081 < 9.1105] w=0.3014 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)A59.CB) [> 3.7666 = 6.2777 < 8.1610] w=0.3012 to align # Constraint # added constraint: constraint((T0325)W109.CB, (T0325)Y150.CB) [> 4.0098 = 6.6830 < 8.6879] w=0.3008 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)I23.CB) [> 3.5859 = 5.9765 < 7.7695] w=0.2998 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)C212.CB) [> 3.8115 = 6.3526 < 8.2583] w=0.2990 to align # Constraint # added constraint: constraint((T0325)L194.CB, (T0325)R250.CB) [> 3.7152 = 6.1920 < 8.0496] w=0.2964 to align # Constraint # added constraint: constraint((T0325)H130.CB, (T0325)N156.CB) [> 3.8298 = 6.3829 < 8.2978] w=0.2957 to align # Constraint # added constraint: constraint((T0325)I193.CB, (T0325)C212.CB) [> 4.4497 = 7.4162 < 9.6411] w=0.2956 to align # Constraint # added constraint: constraint((T0325)A157.CB, (T0325)Y166.CB) [> 3.9399 = 6.5664 < 8.5363] w=0.2954 to align # Constraint # added constraint: constraint((T0325)I23.CB, (T0325)V32.CB) [> 3.6724 = 6.1207 < 7.9569] w=0.2946 to align # Constraint # added constraint: constraint((T0325)V235.CB, (T0325)K244.CB) [> 3.8358 = 6.3930 < 8.3110] w=0.2940 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)I210.CB) [> 3.8709 = 6.4514 < 8.3869] w=0.2932 to align # Constraint # added constraint: constraint((T0325)F208.CB, (T0325)I252.CB) [> 3.7709 = 6.2848 < 8.1703] w=0.2932 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)T20.CB) [> 4.1818 = 6.9697 < 9.0606] w=0.2928 to align # Constraint # added constraint: constraint((T0325)V132.CB, (T0325)A157.CB) [> 3.9258 = 6.5430 < 8.5059] w=0.2911 to align # Constraint # added constraint: constraint((T0325)T65.CB, (T0325)S128.CB) [> 3.6464 = 6.0774 < 7.9006] w=0.2906 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)T65.CB) [> 3.9846 = 6.6409 < 8.6332] w=0.2906 to align # Constraint # added constraint: constraint((T0325)T33.CB, (T0325)I60.CB) [> 3.7822 = 6.3038 < 8.1949] w=0.2885 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)G61.CA) [> 3.6894 = 6.1490 < 7.9937] w=0.2882 to align # Constraint # added constraint: constraint((T0325)T33.CB, (T0325)L254.CB) [> 3.4666 = 5.7777 < 7.5111] w=0.2864 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)T36.CB) [> 3.8870 = 6.4784 < 8.4219] w=0.2863 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)F208.CB) [> 3.3218 = 5.5364 < 7.1973] w=0.2862 to align # Constraint # added constraint: constraint((T0325)L64.CB, (T0325)S128.CB) [> 3.5246 = 5.8743 < 7.6366] w=0.2857 to align # Constraint # added constraint: constraint((T0325)E209.CB, (T0325)L253.CB) [> 3.4928 = 5.8214 < 7.5678] w=0.2856 to align # Constraint # added constraint: constraint((T0325)L66.CB, (T0325)H129.CB) [> 3.5401 = 5.9001 < 7.6702] w=0.2845 to align # Constraint # added constraint: constraint((T0325)H27.CB, (T0325)T57.CB) [> 4.0107 = 6.6845 < 8.6899] w=0.2843 to align # Constraint # added constraint: constraint((T0325)V19.CB, (T0325)P214.CB) [> 3.3785 = 5.6308 < 7.3200] w=0.2806 to align # Constraint # added constraint: constraint((T0325)I210.CB, (T0325)A255.CB) [> 3.8644 = 6.4406 < 8.3728] w=0.2803 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)E209.CB) [> 3.7528 = 6.2547 < 8.1311] w=0.2801 to align # Constraint # added constraint: constraint((T0325)I60.CB, (T0325)H125.CB) [> 4.2378 = 7.0630 < 9.1819] w=0.2799 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)S34.CB) [> 3.9247 = 6.5412 < 8.5036] w=0.2790 to align # Constraint # added constraint: constraint((T0325)T65.CB, (T0325)H129.CB) [> 3.8953 = 6.4922 < 8.4399] w=0.2766 to align # Constraint # added constraint: constraint((T0325)N211.CB, (T0325)A255.CB) [> 3.4171 = 5.6951 < 7.4036] w=0.2752 to align # Constraint # added constraint: constraint((T0325)I24.CB, (T0325)A51.CB) [> 3.9397 = 6.5663 < 8.5361] w=0.2740 to align # Constraint # added constraint: constraint((T0325)R155.CB, (T0325)F208.CB) [> 3.6779 = 6.1299 < 7.9689] w=0.2738 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)V32.CB) [> 4.0350 = 6.7251 < 8.7426] w=0.2736 to align # Constraint # added constraint: constraint((T0325)S41.CB, (T0325)E108.CB) [> 3.5291 = 5.8818 < 7.6464] w=0.2733 to align # Constraint # added constraint: constraint((T0325)F44.CB, (T0325)S115.CB) [> 3.7804 = 6.3007 < 8.1909] w=0.2721 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)A255.CB) [> 3.5254 = 5.8756 < 7.6383] w=0.2704 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)H213.CB) [> 3.8246 = 6.3743 < 8.2866] w=0.2687 to align # Constraint # added constraint: constraint((T0325)K5.CB, (T0325)E206.CB) [> 3.9534 = 6.5890 < 8.5657] w=0.2684 to align # Constraint # added constraint: constraint((T0325)K5.CB, (T0325)L254.CB) [> 4.2973 = 7.1622 < 9.3108] w=0.2678 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)L66.CB) [> 3.4322 = 5.7204 < 7.4365] w=0.2667 to align # Constraint # added constraint: constraint((T0325)H130.CB, (T0325)A157.CB) [> 3.4754 = 5.7924 < 7.5301] w=0.2666 to align # Constraint # added constraint: constraint((T0325)R159.CB, (T0325)N211.CB) [> 3.4045 = 5.6741 < 7.3763] w=0.2665 to align # Constraint # added constraint: constraint((T0325)V105.CB, (T0325)A143.CB) [> 3.6693 = 6.1155 < 7.9502] w=0.2662 to align # Constraint # added constraint: constraint((T0325)K28.CB, (T0325)P56.CB) [> 3.5297 = 5.8828 < 7.6477] w=0.2658 to align # Constraint # added constraint: constraint((T0325)R159.CB, (T0325)I210.CB) [> 3.6371 = 6.0619 < 7.8804] w=0.2648 to align # Constraint # added constraint: constraint((T0325)N131.CB, (T0325)N156.CB) [> 4.1469 = 6.9115 < 8.9850] w=0.2632 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)H129.CB) [> 3.8439 = 6.4065 < 8.3284] w=0.2624 to align # Constraint # added constraint: constraint((T0325)K5.CB, (T0325)L253.CB) [> 3.0642 = 5.1070 < 6.6391] w=0.2621 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)L254.CB) [> 4.4324 = 7.3873 < 9.6035] w=0.2621 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)V207.CB) [> 3.2123 = 5.3538 < 6.9599] w=0.2620 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)I247.CB) [> 3.8073 = 6.3454 < 8.2491] w=0.2612 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)T67.CB) [> 4.0582 = 6.7637 < 8.7928] w=0.2609 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)L144.CB) [> 3.8700 = 6.4501 < 8.3851] w=0.2604 to align # Constraint # added constraint: constraint((T0325)I193.CB, (T0325)A246.CB) [> 3.6287 = 6.0479 < 7.8622] w=0.2600 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)L66.CB) [> 3.6471 = 6.0784 < 7.9020] w=0.2595 to align # Constraint # added constraint: constraint((T0325)F208.CB, (T0325)L254.CB) [> 3.8548 = 6.4247 < 8.3521] w=0.2584 to align # Constraint # added constraint: constraint((T0325)A26.CB, (T0325)L58.CB) [> 4.3115 = 7.1859 < 9.3417] w=0.2570 to align # Constraint # added constraint: constraint((T0325)V201.CB, (T0325)A246.CB) [> 3.6433 = 6.0722 < 7.8939] w=0.2566 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)L254.CB) [> 3.5813 = 5.9688 < 7.7595] w=0.2565 to align # Constraint # added constraint: constraint((T0325)L66.CB, (T0325)E108.CB) [> 3.8740 = 6.4567 < 8.3937] w=0.2556 to align # Constraint # added constraint: constraint((T0325)A157.CB, (T0325)E209.CB) [> 3.6953 = 6.1588 < 8.0064] w=0.2555 to align # Constraint # added constraint: constraint((T0325)H63.CB, (T0325)Q112.CB) [> 4.3066 = 7.1776 < 9.3309] w=0.2544 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)V105.CB) [> 4.2525 = 7.0875 < 9.2137] w=0.2538 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)S128.CB) [> 4.1657 = 6.9428 < 9.0257] w=0.2517 to align # Constraint # added constraint: constraint((T0325)V105.CB, (T0325)L146.CB) [> 3.5206 = 5.8677 < 7.6280] w=0.2509 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)A255.CB) [> 4.2190 = 7.0316 < 9.1411] w=0.2501 to align # Constraint # added constraint: constraint((T0325)E209.CB, (T0325)I252.CB) [> 3.6563 = 6.0939 < 7.9220] w=0.2492 to align # Constraint # added constraint: constraint((T0325)L144.CB, (T0325)N156.CB) [> 3.8639 = 6.4399 < 8.3718] w=0.2491 to align # Constraint # added constraint: constraint((T0325)L64.CB, (T0325)H125.CB) [> 3.9852 = 6.6419 < 8.6345] w=0.2488 to align # Constraint # added constraint: constraint((T0325)N211.CB, (T0325)L254.CB) [> 4.3758 = 7.2929 < 9.4808] w=0.2483 to align # Constraint # added constraint: constraint((T0325)E209.CB, (T0325)L254.CB) [> 3.9745 = 6.6241 < 8.6114] w=0.2475 to align # Constraint # added constraint: constraint((T0325)K5.CB, (T0325)A255.CB) [> 3.1525 = 5.2541 < 6.8303] w=0.2445 to align # Constraint # added constraint: constraint((T0325)L64.CB, (T0325)Q112.CB) [> 3.7078 = 6.1796 < 8.0335] w=0.2443 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)L253.CB) [> 4.4254 = 7.3756 < 9.5883] w=0.2437 to align # Constraint # added constraint: constraint((T0325)K5.CB, (T0325)I252.CB) [> 4.0159 = 6.6932 < 8.7012] w=0.2437 to align # Constraint # added constraint: constraint((T0325)F44.CB, (T0325)E108.CB) [> 2.7956 = 4.6594 < 6.0572] w=0.2411 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)T67.CB) [> 3.7662 = 6.2771 < 8.1602] w=0.2408 to align # Constraint # added constraint: constraint((T0325)D11.CB, (T0325)N211.CB) [> 4.1251 = 6.8752 < 8.9378] w=0.2407 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)V19.CB) [> 3.3758 = 5.6264 < 7.3143] w=0.2407 to align # Constraint # added constraint: constraint((T0325)I161.CB, (T0325)L196.CB) [> 3.5391 = 5.8985 < 7.6681] w=0.2392 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)P73.CB) [> 3.8458 = 6.4096 < 8.3325] w=0.2383 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)L254.CB) [> 3.5398 = 5.8997 < 7.6696] w=0.2381 to align # Constraint # added constraint: constraint((T0325)L144.CB, (T0325)V207.CB) [> 4.4204 = 7.3673 < 9.5775] w=0.2381 to align # Constraint # added constraint: constraint((T0325)M117.CB, (T0325)A147.CB) [> 3.7620 = 6.2701 < 8.1511] w=0.2379 to align # Constraint # added constraint: constraint((T0325)I193.CB, (T0325)I210.CB) [> 4.1657 = 6.9429 < 9.0257] w=0.2372 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)V62.CB) [> 3.7852 = 6.3086 < 8.2012] w=0.2372 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)Q112.CB) [> 3.4505 = 5.7509 < 7.4761] w=0.2369 to align # Constraint # added constraint: constraint((T0325)N156.CB, (T0325)F208.CB) [> 3.4743 = 5.7905 < 7.5276] w=0.2365 to align # Constraint # added constraint: constraint((T0325)D11.CB, (T0325)A47.CB) [> 3.9074 = 6.5124 < 8.4661] w=0.2359 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)A47.CB) [> 3.7801 = 6.3002 < 8.1903] w=0.2354 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)P73.CB) [> 3.5626 = 5.9377 < 7.7190] w=0.2350 to align # Constraint # added constraint: constraint((T0325)G14.CA, (T0325)L38.CB) [> 3.3202 = 5.5337 < 7.1938] w=0.2348 to align # Constraint # added constraint: constraint((T0325)V201.CB, (T0325)R250.CB) [> 3.7092 = 6.1821 < 8.0367] w=0.2319 to align # Constraint # added constraint: constraint((T0325)V207.CB, (T0325)I252.CB) [> 3.7981 = 6.3302 < 8.2292] w=0.2314 to align # Constraint # added constraint: constraint((T0325)K5.CB, (T0325)A59.CB) [> 3.4912 = 5.8186 < 7.5642] w=0.2310 to align # Constraint # added constraint: constraint((T0325)L196.CB, (T0325)I210.CB) [> 4.0108 = 6.6846 < 8.6900] w=0.2310 to align # Constraint # added constraint: constraint((T0325)Q70.CB, (T0325)Q112.CB) [> 3.4067 = 5.6778 < 7.3811] w=0.2292 to align # Constraint # added constraint: constraint((T0325)T20.CB, (T0325)A55.CB) [> 3.6563 = 6.0938 < 7.9219] w=0.2290 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)L64.CB) [> 3.7281 = 6.2135 < 8.0776] w=0.2287 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)N211.CB) [> 3.8488 = 6.4146 < 8.3390] w=0.2281 to align # Constraint # added constraint: constraint((T0325)I210.CB, (T0325)E234.CB) [> 3.9112 = 6.5186 < 8.4742] w=0.2279 to align # Constraint # added constraint: constraint((T0325)P214.CB, (T0325)R231.CB) [> 3.8567 = 6.4279 < 8.3563] w=0.2277 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)L64.CB) [> 3.5907 = 5.9845 < 7.7799] w=0.2269 to align # Constraint # added constraint: constraint((T0325)T33.CB, (T0325)G61.CA) [> 3.5746 = 5.9577 < 7.7450] w=0.2264 to align # Constraint # added constraint: constraint((T0325)L64.CB, (T0325)A143.CB) [> 4.1746 = 6.9577 < 9.0450] w=0.2237 to align # Constraint # added constraint: constraint((T0325)I193.CB, (T0325)I237.CB) [> 3.1772 = 5.2953 < 6.8839] w=0.2231 to align # Constraint # added constraint: constraint((T0325)L64.CB, (T0325)F116.CB) [> 4.3172 = 7.1953 < 9.3539] w=0.2229 to align # Constraint # added constraint: constraint((T0325)V200.CB, (T0325)E209.CB) [> 3.6162 = 6.0270 < 7.8351] w=0.2225 to align # Constraint # added constraint: constraint((T0325)T20.CB, (T0325)T36.CB) [> 4.2606 = 7.1011 < 9.2314] w=0.2217 to align # Constraint # added constraint: constraint((T0325)D127.CB, (T0325)N211.CB) [> 4.0536 = 6.7561 < 8.7829] w=0.2204 to align # Constraint # added constraint: constraint((T0325)N131.CB, (T0325)S158.CB) [> 3.3809 = 5.6348 < 7.3252] w=0.2204 to align # Constraint # added constraint: constraint((T0325)V207.CB, (T0325)L253.CB) [> 3.5739 = 5.9565 < 7.7434] w=0.2193 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)A147.CB) [> 3.7764 = 6.2940 < 8.1822] w=0.2177 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)H130.CB) [> 3.8001 = 6.3335 < 8.2335] w=0.2177 to align # Constraint # added constraint: constraint((T0325)E209.CB, (T0325)A255.CB) [> 3.7800 = 6.2999 < 8.1899] w=0.2173 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)T65.CB) [> 3.5124 = 5.8540 < 7.6102] w=0.2168 to align # Constraint # added constraint: constraint((T0325)T16.CB, (T0325)T36.CB) [> 4.3199 = 7.1998 < 9.3597] w=0.2164 to align # Constraint # added constraint: constraint((T0325)G205.CA, (T0325)I252.CB) [> 4.1979 = 6.9964 < 9.0954] w=0.2156 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)T67.CB) [> 3.3918 = 5.6530 < 7.3489] w=0.2155 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)P214.CB) [> 2.7830 = 4.6383 < 6.0298] w=0.2152 to align # Constraint # added constraint: constraint((T0325)L167.CB, (T0325)M199.CB) [> 3.7954 = 6.3257 < 8.2235] w=0.2148 to align # Constraint # added constraint: constraint((T0325)I210.CB, (T0325)I247.CB) [> 3.9179 = 6.5299 < 8.4889] w=0.2144 to align # Constraint # added constraint: constraint((T0325)L140.CB, (T0325)M199.CB) [> 4.1234 = 6.8724 < 8.9341] w=0.2142 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)P81.CB) [> 3.4510 = 5.7517 < 7.4773] w=0.2137 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)I126.CB) [> 4.2735 = 7.1225 < 9.2593] w=0.2135 to align # Constraint # added constraint: constraint((T0325)A71.CB, (T0325)E108.CB) [> 3.9329 = 6.5548 < 8.5213] w=0.2132 to align # Constraint # added constraint: constraint((T0325)M179.CB, (T0325)I193.CB) [> 3.9294 = 6.5490 < 8.5137] w=0.2130 to align # Constraint # added constraint: constraint((T0325)D12.CB, (T0325)P39.CB) [> 3.4687 = 5.7812 < 7.5155] w=0.2120 to align # Constraint # added constraint: constraint((T0325)L75.CB, (T0325)E108.CB) [> 3.7209 = 6.2014 < 8.0619] w=0.2120 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)A71.CB) [> 3.9580 = 6.5966 < 8.5756] w=0.2116 to align # Constraint # added constraint: constraint((T0325)T16.CB, (T0325)A51.CB) [> 3.4009 = 5.6682 < 7.3686] w=0.2092 to align # Constraint # added constraint: constraint((T0325)D11.CB, (T0325)S50.CB) [> 4.1790 = 6.9651 < 9.0546] w=0.2092 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)T33.CB) [> 3.9957 = 6.6595 < 8.6573] w=0.2069 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)V207.CB) [> 4.0487 = 6.7478 < 8.7721] w=0.2063 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)E209.CB) [> 4.3564 = 7.2607 < 9.4389] w=0.2051 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)T67.CB) [> 3.5877 = 5.9795 < 7.7733] w=0.2051 to align # Constraint # added constraint: constraint((T0325)I193.CB, (T0325)R233.CB) [> 3.6922 = 6.1537 < 7.9998] w=0.2051 to align # Constraint # added constraint: constraint((T0325)N156.CB, (T0325)I210.CB) [> 3.5300 = 5.8833 < 7.6483] w=0.2048 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)L38.CB) [> 4.0258 = 6.7097 < 8.7226] w=0.2041 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)E108.CB) [> 2.9182 = 4.8637 < 6.3228] w=0.2040 to align # Constraint # added constraint: constraint((T0325)V32.CB, (T0325)A59.CB) [> 3.8971 = 6.4952 < 8.4438] w=0.2026 to align # Constraint # added constraint: constraint((T0325)L83.CB, (T0325)E108.CB) [> 4.0418 = 6.7363 < 8.7572] w=0.2008 to align # Constraint # added constraint: constraint((T0325)G30.CA, (T0325)K244.CB) [> 3.7291 = 6.2151 < 8.0797] w=0.1997 to align # Constraint # added constraint: constraint((T0325)P73.CB, (T0325)E108.CB) [> 3.9918 = 6.6530 < 8.6490] w=0.1971 to align # Constraint # added constraint: constraint((T0325)I193.CB, (T0325)I247.CB) [> 4.0862 = 6.8103 < 8.8534] w=0.1960 to align # Constraint # added constraint: constraint((T0325)V200.CB, (T0325)V243.CB) [> 4.1192 = 6.8654 < 8.9250] w=0.1958 to align # Constraint # added constraint: constraint((T0325)H130.CB, (T0325)L139.CB) [> 3.7416 = 6.2360 < 8.1068] w=0.1954 to align # Constraint # added constraint: constraint((T0325)I193.CB, (T0325)P230.CB) [> 3.3214 = 5.5356 < 7.1963] w=0.1952 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)A71.CB) [> 4.1535 = 6.9226 < 8.9993] w=0.1940 to align # Constraint # added constraint: constraint((T0325)L102.CB, (T0325)A145.CB) [> 3.9491 = 6.5819 < 8.5564] w=0.1934 to align # Constraint # added constraint: constraint((T0325)L180.CB, (T0325)I193.CB) [> 3.2986 = 5.4977 < 7.1470] w=0.1931 to align # Constraint # added constraint: constraint((T0325)E46.CB, (T0325)S119.CB) [> 4.5756 = 7.6260 < 9.9138] w=0.1920 to align # Constraint # added constraint: constraint((T0325)L180.CB, (T0325)N211.CB) [> 3.6744 = 6.1240 < 7.9613] w=0.1904 to align # Constraint # added constraint: constraint((T0325)I126.CB, (T0325)L139.CB) [> 3.3046 = 5.5077 < 7.1600] w=0.1901 to align # Constraint # added constraint: constraint((T0325)Y181.CB, (T0325)C212.CB) [> 3.6198 = 6.0329 < 7.8428] w=0.1900 to align # Constraint # added constraint: constraint((T0325)K4.CB, (T0325)L253.CB) [> 3.9151 = 6.5252 < 8.4827] w=0.1895 to align # Constraint # added constraint: constraint((T0325)K4.CB, (T0325)I252.CB) [> 2.9733 = 4.9555 < 6.4421] w=0.1895 to align # Constraint # added constraint: constraint((T0325)D177.CB, (T0325)I193.CB) [> 3.7673 = 6.2788 < 8.1625] w=0.1863 to align # Constraint # added constraint: constraint((T0325)Y15.CB, (T0325)A47.CB) [> 3.3834 = 5.6390 < 7.3307] w=0.1859 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)V80.CB) [> 3.8894 = 6.4823 < 8.4270] w=0.1859 to align # Constraint # added constraint: constraint((T0325)C212.CB, (T0325)N256.CB) [> 3.6846 = 6.1411 < 7.9834] w=0.1856 to align # Constraint # added constraint: constraint((T0325)F183.CB, (T0325)C212.CB) [> 3.7503 = 6.2506 < 8.1257] w=0.1856 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)G205.CA) [> 4.1350 = 6.8917 < 8.9592] w=0.1852 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)I74.CB) [> 4.1472 = 6.9120 < 8.9856] w=0.1851 to align # Constraint # added constraint: constraint((T0325)F216.CB, (T0325)Y227.CB) [> 3.9516 = 6.5861 < 8.5619] w=0.1847 to align # Constraint # added constraint: constraint((T0325)H213.CB, (T0325)R231.CB) [> 3.5289 = 5.8816 < 7.6460] w=0.1844 to align # Constraint # added constraint: constraint((T0325)R159.CB, (T0325)H213.CB) [> 3.7476 = 6.2460 < 8.1198] w=0.1839 to align # Constraint # added constraint: constraint((T0325)Y181.CB, (T0325)N211.CB) [> 3.9878 = 6.6464 < 8.6403] w=0.1837 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)I60.CB) [> 3.6158 = 6.0264 < 7.8343] w=0.1826 to align # Constraint # added constraint: constraint((T0325)H129.CB, (T0325)L139.CB) [> 3.5473 = 5.9121 < 7.6858] w=0.1823 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)T67.CB) [> 3.4600 = 5.7666 < 7.4966] w=0.1817 to align # Constraint # added constraint: constraint((T0325)L83.CB, (T0325)E104.CB) [> 3.8076 = 6.3460 < 8.2498] w=0.1813 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)R159.CB) [> 3.8393 = 6.3988 < 8.3185] w=0.1807 to align # Constraint # added constraint: constraint((T0325)R159.CB, (T0325)D185.CB) [> 3.9659 = 6.6098 < 8.5928] w=0.1801 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)E209.CB) [> 3.4495 = 5.7492 < 7.4740] w=0.1800 to align # Constraint # added constraint: constraint((T0325)G14.CA, (T0325)H63.CB) [> 4.5211 = 7.5352 < 9.7957] w=0.1796 to align # Constraint # added constraint: constraint((T0325)P214.CB, (T0325)E234.CB) [> 4.0257 = 6.7094 < 8.7223] w=0.1790 to align # Constraint # added constraint: constraint((T0325)L66.CB, (T0325)I126.CB) [> 3.8296 = 6.3827 < 8.2975] w=0.1786 to align # Constraint # added constraint: constraint((T0325)A215.CB, (T0325)R231.CB) [> 3.7021 = 6.1702 < 8.0212] w=0.1778 to align # Constraint # added constraint: constraint((T0325)F208.CB, (T0325)A255.CB) [> 3.8761 = 6.4602 < 8.3983] w=0.1775 to align # Constraint # added constraint: constraint((T0325)L64.CB, (T0325)H129.CB) [> 3.8449 = 6.4081 < 8.3305] w=0.1773 to align # Constraint # added constraint: constraint((T0325)I74.CB, (T0325)W91.CB) [> 3.8684 = 6.4473 < 8.3815] w=0.1755 to align # Constraint # added constraint: constraint((T0325)D11.CB, (T0325)H213.CB) [> 3.6105 = 6.0174 < 7.8227] w=0.1753 to align # Constraint # added constraint: constraint((T0325)L167.CB, (T0325)L196.CB) [> 3.6790 = 6.1317 < 7.9712] w=0.1748 to align # Constraint # added constraint: constraint((T0325)D127.CB, (T0325)L139.CB) [> 4.2341 = 7.0568 < 9.1739] w=0.1746 to align # Constraint # added constraint: constraint((T0325)R159.CB, (T0325)Y184.CB) [> 3.4074 = 5.6789 < 7.3826] w=0.1741 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)A59.CB) [> 4.3651 = 7.2752 < 9.4578] w=0.1734 to align # Constraint # added constraint: constraint((T0325)C212.CB, (T0325)Y257.CB) [> 3.6422 = 6.0703 < 7.8914] w=0.1732 to align # Constraint # added constraint: constraint((T0325)T175.CB, (T0325)I210.CB) [> 3.6270 = 6.0450 < 7.8584] w=0.1727 to align # Constraint # added constraint: constraint((T0325)N211.CB, (T0325)Y257.CB) [> 3.7903 = 6.3172 < 8.2124] w=0.1723 to align # Constraint # added constraint: constraint((T0325)F183.CB, (T0325)I193.CB) [> 3.7931 = 6.3218 < 8.2183] w=0.1719 to align # Constraint # added constraint: constraint((T0325)L66.CB, (T0325)P81.CB) [> 3.8903 = 6.4838 < 8.4290] w=0.1719 to align # Constraint # added constraint: constraint((T0325)C212.CB, (T0325)A255.CB) [> 3.9842 = 6.6403 < 8.6324] w=0.1712 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)T65.CB) [> 3.6083 = 6.0139 < 7.8180] w=0.1711 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)L66.CB) [> 3.0700 = 5.1167 < 6.6517] w=0.1708 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)M79.CB) [> 3.5296 = 5.8826 < 7.6474] w=0.1707 to align # Constraint # added constraint: constraint((T0325)H129.CB, (T0325)S158.CB) [> 3.6582 = 6.0971 < 7.9262] w=0.1705 to align # Constraint # added constraint: constraint((T0325)L66.CB, (T0325)L75.CB) [> 3.7504 = 6.2506 < 8.1258] w=0.1700 to align # Constraint # added constraint: constraint((T0325)K4.CB, (T0325)V32.CB) [> 3.2076 = 5.3460 < 6.9498] w=0.1696 to align # Constraint # added constraint: constraint((T0325)P73.CB, (T0325)V105.CB) [> 4.0805 = 6.8008 < 8.8410] w=0.1692 to align # Constraint # added constraint: constraint((T0325)L144.CB, (T0325)V173.CB) [> 3.5456 = 5.9094 < 7.6822] w=0.1692 to align # Constraint # added constraint: constraint((T0325)T175.CB, (T0325)N211.CB) [> 3.7583 = 6.2639 < 8.1431] w=0.1692 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)A37.CB) [> 3.9066 = 6.5111 < 8.4644] w=0.1685 to align # Constraint # added constraint: constraint((T0325)T16.CB, (T0325)P214.CB) [> 4.2294 = 7.0490 < 9.1638] w=0.1680 to align # Constraint # added constraint: constraint((T0325)K135.CB, (T0325)F183.CB) [> 3.8090 = 6.3484 < 8.2529] w=0.1676 to align # Constraint # added constraint: constraint((T0325)K4.CB, (T0325)G251.CA) [> 3.5306 = 5.8844 < 7.6497] w=0.1673 to align # Constraint # added constraint: constraint((T0325)L66.CB, (T0325)D127.CB) [> 4.1037 = 6.8394 < 8.8913] w=0.1672 to align # Constraint # added constraint: constraint((T0325)G14.CA, (T0325)Y43.CB) [> 3.3306 = 5.5511 < 7.2164] w=0.1667 to align # Constraint # added constraint: constraint((T0325)T219.CB, (T0325)R231.CB) [> 3.7113 = 6.1856 < 8.0412] w=0.1664 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)L64.CB) [> 4.1809 = 6.9681 < 9.0585] w=0.1648 to align # Constraint # added constraint: constraint((T0325)N211.CB, (T0325)N256.CB) [> 3.7978 = 6.3296 < 8.2285] w=0.1642 to align # Constraint # added constraint: constraint((T0325)S160.CB, (T0325)L196.CB) [> 3.7681 = 6.2802 < 8.1642] w=0.1638 to align # Constraint # added constraint: constraint((T0325)N131.CB, (T0325)R159.CB) [> 3.4348 = 5.7247 < 7.4421] w=0.1638 to align # Constraint # added constraint: constraint((T0325)V105.CB, (T0325)K138.CB) [> 3.5960 = 5.9933 < 7.7912] w=0.1637 to align # Constraint # added constraint: constraint((T0325)I193.CB, (T0325)R231.CB) [> 4.0733 = 6.7888 < 8.8254] w=0.1633 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)N211.CB) [> 3.8498 = 6.4164 < 8.3413] w=0.1629 to align # Constraint # added constraint: constraint((T0325)P73.CB, (T0325)V100.CB) [> 3.3890 = 5.6483 < 7.3428] w=0.1621 to align # Constraint # added constraint: constraint((T0325)G22.CA, (T0325)I232.CB) [> 3.3457 = 5.5762 < 7.2490] w=0.1620 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)D127.CB) [> 3.7468 = 6.2446 < 8.1180] w=0.1620 to align # Constraint # added constraint: constraint((T0325)A59.CB, (T0325)N256.CB) [> 2.7876 = 4.6460 < 6.0398] w=0.1618 to align # Constraint # added constraint: constraint((T0325)H130.CB, (T0325)S158.CB) [> 3.7918 = 6.3196 < 8.2155] w=0.1615 to align # Constraint # added constraint: constraint((T0325)L75.CB, (T0325)V100.CB) [> 3.5486 = 5.9143 < 7.6885] w=0.1611 to align # Constraint # added constraint: constraint((T0325)D11.CB, (T0325)C212.CB) [> 4.0940 = 6.8233 < 8.8703] w=0.1611 to align # Constraint # added constraint: constraint((T0325)G14.CA, (T0325)T36.CB) [> 4.1023 = 6.8371 < 8.8882] w=0.1611 to align # Constraint # added constraint: constraint((T0325)A26.CB, (T0325)T35.CB) [> 3.9708 = 6.6181 < 8.6035] w=0.1607 to align # Constraint # added constraint: constraint((T0325)H133.CB, (T0325)S160.CB) [> 3.9254 = 6.5424 < 8.5051] w=0.1606 to align # Constraint # added constraint: constraint((T0325)Y184.CB, (T0325)I193.CB) [> 3.7446 = 6.2409 < 8.1132] w=0.1604 to align # Constraint # added constraint: constraint((T0325)D12.CB, (T0325)L38.CB) [> 3.8135 = 6.3559 < 8.2627] w=0.1595 to align # Constraint # added constraint: constraint((T0325)N156.CB, (T0325)V207.CB) [> 3.1081 = 5.1802 < 6.7343] w=0.1594 to align # Constraint # added constraint: constraint((T0325)Q182.CB, (T0325)N211.CB) [> 3.7132 = 6.1887 < 8.0453] w=0.1586 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)A37.CB) [> 3.6982 = 6.1637 < 8.0128] w=0.1583 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)V105.CB) [> 4.1096 = 6.8493 < 8.9041] w=0.1582 to align # Constraint # added constraint: constraint((T0325)K4.CB, (T0325)V31.CB) [> 4.1300 = 6.8833 < 8.9483] w=0.1582 to align # Constraint # added constraint: constraint((T0325)L144.CB, (T0325)S203.CB) [> 3.6937 = 6.1561 < 8.0030] w=0.1580 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)A59.CB) [> 3.7220 = 6.2034 < 8.0644] w=0.1579 to align # Constraint # added constraint: constraint((T0325)Y15.CB, (T0325)Y43.CB) [> 3.9436 = 6.5726 < 8.5444] w=0.1578 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)K72.CB) [> 3.4085 = 5.6808 < 7.3850] w=0.1576 to align # Constraint # added constraint: constraint((T0325)Y15.CB, (T0325)F44.CB) [> 2.7350 = 4.5583 < 5.9258] w=0.1575 to align # Constraint # added constraint: constraint((T0325)C212.CB, (T0325)P230.CB) [> 3.5055 = 5.8425 < 7.5952] w=0.1573 to align # Constraint # added constraint: constraint((T0325)P214.CB, (T0325)N256.CB) [> 3.9708 = 6.6180 < 8.6033] w=0.1569 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)A47.CB) [> 3.9273 = 6.5455 < 8.5092] w=0.1563 to align # Constraint # added constraint: constraint((T0325)T33.CB, (T0325)N256.CB) [> 2.6700 = 4.4501 < 5.7851] w=0.1562 to align # Constraint # added constraint: constraint((T0325)R159.CB, (T0325)F183.CB) [> 3.8740 = 6.4566 < 8.3937] w=0.1546 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)L38.CB) [> 4.0089 = 6.6814 < 8.6859] w=0.1538 to align # Constraint # added constraint: constraint((T0325)L140.CB, (T0325)V207.CB) [> 3.2841 = 5.4736 < 7.1157] w=0.1534 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)D127.CB) [> 3.5227 = 5.8712 < 7.6325] w=0.1531 to align # Constraint # added constraint: constraint((T0325)N156.CB, (T0325)N211.CB) [> 3.7517 = 6.2529 < 8.1288] w=0.1528 to align # Constraint # added constraint: constraint((T0325)D11.CB, (T0325)H63.CB) [> 3.5595 = 5.9325 < 7.7122] w=0.1519 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)L66.CB) [> 3.8634 = 6.4390 < 8.3707] w=0.1518 to align # Constraint # added constraint: constraint((T0325)N3.CB, (T0325)E206.CB) [> 4.0438 = 6.7397 < 8.7617] w=0.1516 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)T65.CB) [> 3.9631 = 6.6052 < 8.5868] w=0.1501 to align # Constraint # added constraint: constraint((T0325)Y15.CB, (T0325)L38.CB) [> 3.5893 = 5.9822 < 7.7768] w=0.1495 to align # Constraint # added constraint: constraint((T0325)E162.CB, (T0325)I188.CB) [> 3.3583 = 5.5971 < 7.2762] w=0.1482 to align # Constraint # added constraint: constraint((T0325)D177.CB, (T0325)C212.CB) [> 3.3450 = 5.5750 < 7.2475] w=0.1482 to align # Constraint # added constraint: constraint((T0325)K4.CB, (T0325)G205.CA) [> 3.3431 = 5.5718 < 7.2433] w=0.1477 to align # Constraint # added constraint: constraint((T0325)I74.CB, (T0325)F90.CB) [> 3.4997 = 5.8328 < 7.5827] w=0.1474 to align # Constraint # added constraint: constraint((T0325)R233.CB, (T0325)E242.CB) [> 3.6999 = 6.1665 < 8.0164] w=0.1470 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)P39.CB) [> 4.3889 = 7.3148 < 9.5093] w=0.1468 to align # Constraint # added constraint: constraint((T0325)H133.CB, (T0325)Y166.CB) [> 3.8380 = 6.3967 < 8.3157] w=0.1465 to align # Constraint # added constraint: constraint((T0325)F183.CB, (T0325)P214.CB) [> 3.8455 = 6.4092 < 8.3320] w=0.1459 to align # Constraint # added constraint: constraint((T0325)L180.CB, (T0325)L196.CB) [> 4.0243 = 6.7071 < 8.7193] w=0.1458 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)I60.CB) [> 4.0406 = 6.7343 < 8.7546] w=0.1457 to align # Constraint # added constraint: constraint((T0325)S82.CB, (T0325)N136.CB) [> 3.9118 = 6.5198 < 8.4757] w=0.1451 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)V62.CB) [> 4.0064 = 6.6774 < 8.6806] w=0.1445 to align # Constraint # added constraint: constraint((T0325)G14.CA, (T0325)T40.CB) [> 2.9332 = 4.8887 < 6.3554] w=0.1445 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)L75.CB) [> 3.6417 = 6.0695 < 7.8904] w=0.1442 to align # Constraint # added constraint: constraint((T0325)R174.CB, (T0325)I210.CB) [> 4.0180 = 6.6967 < 8.7057] w=0.1441 to align # Constraint # added constraint: constraint((T0325)F216.CB, (T0325)G226.CA) [> 3.4513 = 5.7521 < 7.4778] w=0.1439 to align # Constraint # added constraint: constraint((T0325)L75.CB, (T0325)W91.CB) [> 3.0610 = 5.1017 < 6.6323] w=0.1437 to align # Constraint # added constraint: constraint((T0325)G14.CA, (T0325)P214.CB) [> 3.3605 = 5.6008 < 7.2810] w=0.1436 to align # Constraint # added constraint: constraint((T0325)I126.CB, (T0325)L146.CB) [> 4.0705 = 6.7842 < 8.8195] w=0.1434 to align # Constraint # added constraint: constraint((T0325)I217.CB, (T0325)V243.CB) [> 3.6255 = 6.0426 < 7.8553] w=0.1432 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)L64.CB) [> 3.6642 = 6.1071 < 7.9392] w=0.1432 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)N211.CB) [> 4.2406 = 7.0677 < 9.1880] w=0.1431 to align # Constraint # added constraint: constraint((T0325)L83.CB, (T0325)V100.CB) [> 3.7530 = 6.2550 < 8.1315] w=0.1428 to align # Constraint # added constraint: constraint((T0325)P214.CB, (T0325)Y257.CB) [> 3.6045 = 6.0076 < 7.8099] w=0.1424 to align # Constraint # added constraint: constraint((T0325)Y181.CB, (T0325)H213.CB) [> 3.7276 = 6.2127 < 8.0766] w=0.1422 to align # Constraint # added constraint: constraint((T0325)Q182.CB, (T0325)C212.CB) [> 3.9894 = 6.6491 < 8.6438] w=0.1419 to align # Constraint # added constraint: constraint((T0325)S41.CB, (T0325)A71.CB) [> 3.6843 = 6.1404 < 7.9826] w=0.1419 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)P214.CB) [> 4.0437 = 6.7396 < 8.7614] w=0.1415 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)I126.CB) [> 4.5806 = 7.6342 < 9.9245] w=0.1413 to align # Constraint # added constraint: constraint((T0325)T175.CB, (T0325)C212.CB) [> 3.4549 = 5.7582 < 7.4857] w=0.1411 to align # Constraint # added constraint: constraint((T0325)F216.CB, (T0325)C228.CB) [> 3.3065 = 5.5108 < 7.1641] w=0.1405 to align # Constraint # added constraint: constraint((T0325)Q21.CB, (T0325)S50.CB) [> 4.6497 = 7.7496 < 10.0744] w=0.1403 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)L83.CB) [> 4.1222 = 6.8704 < 8.9315] w=0.1400 to align # Constraint # added constraint: constraint((T0325)A26.CB, (T0325)I232.CB) [> 3.7869 = 6.3115 < 8.2050] w=0.1399 to align # Constraint # added constraint: constraint((T0325)K137.CB, (T0325)L169.CB) [> 3.6427 = 6.0711 < 7.8925] w=0.1389 to align # Constraint # added constraint: constraint((T0325)D12.CB, (T0325)H213.CB) [> 4.0858 = 6.8098 < 8.8527] w=0.1389 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)E108.CB) [> 4.0086 = 6.6809 < 8.6852] w=0.1385 to align # Constraint # added constraint: constraint((T0325)R174.CB, (T0325)L196.CB) [> 4.0110 = 6.6849 < 8.6904] w=0.1384 to align # Constraint # added constraint: constraint((T0325)D12.CB, (T0325)T36.CB) [> 3.7057 = 6.1761 < 8.0289] w=0.1383 to align # Constraint # added constraint: constraint((T0325)V132.CB, (T0325)R159.CB) [> 4.2216 = 7.0360 < 9.1468] w=0.1382 to align # Constraint # added constraint: constraint((T0325)Y15.CB, (T0325)T36.CB) [> 3.8507 = 6.4179 < 8.3433] w=0.1379 to align # Constraint # added constraint: constraint((T0325)L64.CB, (T0325)V105.CB) [> 3.6299 = 6.0498 < 7.8648] w=0.1376 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)D127.CB) [> 2.6212 = 4.3688 < 5.6794] w=0.1376 to align # Constraint # added constraint: constraint((T0325)F13.CB, (T0325)A37.CB) [> 3.4790 = 5.7983 < 7.5378] w=0.1372 to align # Constraint # added constraint: constraint((T0325)A26.CB, (T0325)V235.CB) [> 3.3796 = 5.6326 < 7.3224] w=0.1371 to align # Constraint # added constraint: constraint((T0325)P176.CB, (T0325)I193.CB) [> 4.0334 = 6.7224 < 8.7391] w=0.1368 to align # Constraint # added constraint: constraint((T0325)Y184.CB, (T0325)L196.CB) [> 4.1632 = 6.9387 < 9.0203] w=0.1366 to align # Constraint # added constraint: constraint((T0325)D12.CB, (T0325)T67.CB) [> 3.8393 = 6.3988 < 8.3184] w=0.1363 to align # Constraint # added constraint: constraint((T0325)L196.CB, (T0325)A246.CB) [> 4.1893 = 6.9822 < 9.0768] w=0.1362 to align # Constraint # added constraint: constraint((T0325)D12.CB, (T0325)P214.CB) [> 4.0636 = 6.7726 < 8.8044] w=0.1361 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)P76.CB) [> 3.9548 = 6.5914 < 8.5688] w=0.1358 to align # Constraint # added constraint: constraint((T0325)V105.CB, (T0325)N136.CB) [> 3.6860 = 6.1433 < 7.9863] w=0.1357 to align # Constraint # added constraint: constraint((T0325)L66.CB, (T0325)H130.CB) [> 4.2031 = 7.0052 < 9.1068] w=0.1356 to align # Constraint # added constraint: constraint((T0325)H213.CB, (T0325)Y257.CB) [> 3.5560 = 5.9266 < 7.7046] w=0.1355 to align # Constraint # added constraint: constraint((T0325)Q182.CB, (T0325)H213.CB) [> 3.3284 = 5.5474 < 7.2116] w=0.1354 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)Y257.CB) [> 4.2806 = 7.1343 < 9.2745] w=0.1350 to align # Constraint # added constraint: constraint((T0325)L167.CB, (T0325)V200.CB) [> 4.3949 = 7.3249 < 9.5224] w=0.1350 to align # Constraint # added constraint: constraint((T0325)R174.CB, (T0325)F208.CB) [> 3.7649 = 6.2748 < 8.1573] w=0.1346 to align # Constraint # added constraint: constraint((T0325)G141.CA, (T0325)S203.CB) [> 2.8281 = 4.7134 < 6.1275] w=0.1330 to align # Constraint # added constraint: constraint((T0325)I126.CB, (T0325)L144.CB) [> 3.9940 = 6.6567 < 8.6537] w=0.1330 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)A111.CB) [> 4.3940 = 7.3234 < 9.5204] w=0.1313 to align # Constraint # added constraint: constraint((T0325)M179.CB, (T0325)L196.CB) [> 3.8805 = 6.4675 < 8.4077] w=0.1310 to align # Constraint # added constraint: constraint((T0325)T163.CB, (T0325)L196.CB) [> 3.1617 = 5.2694 < 6.8503] w=0.1310 to align # Constraint # added constraint: constraint((T0325)I193.CB, (T0325)R250.CB) [> 4.1488 = 6.9147 < 8.9891] w=0.1309 to align # Constraint # added constraint: constraint((T0325)R159.CB, (T0325)E209.CB) [> 3.2116 = 5.3526 < 6.9584] w=0.1307 to align # Constraint # added constraint: constraint((T0325)D177.CB, (T0325)H213.CB) [> 3.6788 = 6.1313 < 7.9707] w=0.1303 to align # Constraint # added constraint: constraint((T0325)E209.CB, (T0325)Y257.CB) [> 3.7981 = 6.3302 < 8.2292] w=0.1300 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)N131.CB) [> 3.6351 = 6.0586 < 7.8762] w=0.1300 to align # Constraint # added constraint: constraint((T0325)S82.CB, (T0325)N101.CB) [> 3.9274 = 6.5457 < 8.5093] w=0.1299 to align # Constraint # added constraint: constraint((T0325)F183.CB, (T0325)V243.CB) [> 4.0926 = 6.8210 < 8.8673] w=0.1295 to align # Constraint # added constraint: constraint((T0325)P176.CB, (T0325)L196.CB) [> 3.8673 = 6.4455 < 8.3791] w=0.1292 to align # Constraint # added constraint: constraint((T0325)Y15.CB, (T0325)S41.CB) [> 4.1906 = 6.9843 < 9.0796] w=0.1283 to align # Constraint # added constraint: constraint((T0325)G14.CA, (T0325)A47.CB) [> 3.9619 = 6.6032 < 8.5842] w=0.1274 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)Y257.CB) [> 3.3051 = 5.5086 < 7.1611] w=0.1268 to align # Constraint # added constraint: constraint((T0325)H63.CB, (T0325)P73.CB) [> 4.2615 = 7.1025 < 9.2333] w=0.1245 to align # Constraint # added constraint: constraint((T0325)V173.CB, (T0325)I210.CB) [> 3.1605 = 5.2674 < 6.8477] w=0.1241 to align # Constraint # added constraint: constraint((T0325)L140.CB, (T0325)S203.CB) [> 2.6746 = 4.4577 < 5.7950] w=0.1238 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)I126.CB) [> 3.5515 = 5.9192 < 7.6949] w=0.1222 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)I126.CB) [> 4.0816 = 6.8027 < 8.8435] w=0.1222 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)P123.CB) [> 3.4191 = 5.6985 < 7.4080] w=0.1222 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)P123.CB) [> 3.5549 = 5.9248 < 7.7022] w=0.1222 to align # Constraint # added constraint: constraint((T0325)I74.CB, (T0325)H129.CB) [> 3.7242 = 6.2070 < 8.0691] w=0.1221 to align # Constraint # added constraint: constraint((T0325)F13.CB, (T0325)T36.CB) [> 4.2376 = 7.0626 < 9.1814] w=0.1216 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)L66.CB) [> 3.5662 = 5.9436 < 7.7267] w=0.1209 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)L66.CB) [> 4.1481 = 6.9135 < 8.9875] w=0.1208 to align # Constraint # added constraint: constraint((T0325)Y15.CB, (T0325)T40.CB) [> 3.8270 = 6.3783 < 8.2917] w=0.1206 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)V142.CB) [> 4.2285 = 7.0475 < 9.1617] w=0.1200 to align # Constraint # added constraint: constraint((T0325)L154.CB, (T0325)T175.CB) [> 3.6523 = 6.0872 < 7.9134] w=0.1188 to align # Constraint # added constraint: constraint((T0325)Y184.CB, (T0325)P214.CB) [> 3.9454 = 6.5756 < 8.5483] w=0.1185 to align # Constraint # added constraint: constraint((T0325)I217.CB, (T0325)M229.CB) [> 3.7499 = 6.2499 < 8.1248] w=0.1184 to align # Constraint # added constraint: constraint((T0325)R159.CB, (T0325)Q182.CB) [> 3.7946 = 6.3243 < 8.2216] w=0.1183 to align # Constraint # added constraint: constraint((T0325)F13.CB, (T0325)P39.CB) [> 3.7848 = 6.3080 < 8.2004] w=0.1179 to align # Constraint # added constraint: constraint((T0325)L75.CB, (T0325)V105.CB) [> 3.3545 = 5.5908 < 7.2680] w=0.1171 to align # Constraint # added constraint: constraint((T0325)G22.CA, (T0325)P214.CB) [> 4.2301 = 7.0501 < 9.1652] w=0.1168 to align # Constraint # added constraint: constraint((T0325)L75.CB, (T0325)H92.CB) [> 4.1210 = 6.8682 < 8.9287] w=0.1166 to align # Constraint # added constraint: constraint((T0325)T175.CB, (T0325)I193.CB) [> 3.2669 = 5.4449 < 7.0784] w=0.1163 to align # Constraint # added constraint: constraint((T0325)F208.CB, (T0325)R250.CB) [> 3.9031 = 6.5051 < 8.4567] w=0.1157 to align # Constraint # added constraint: constraint((T0325)H63.CB, (T0325)K72.CB) [> 3.9967 = 6.6611 < 8.6595] w=0.1154 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)V105.CB) [> 4.0903 = 6.8171 < 8.8622] w=0.1150 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)A47.CB) [> 3.8884 = 6.4806 < 8.4249] w=0.1150 to align # Constraint # added constraint: constraint((T0325)L66.CB, (T0325)V132.CB) [> 4.2833 = 7.1388 < 9.2804] w=0.1149 to align # Constraint # added constraint: constraint((T0325)P73.CB, (T0325)V132.CB) [> 4.2540 = 7.0899 < 9.2169] w=0.1145 to align # Constraint # added constraint: constraint((T0325)L144.CB, (T0325)Y166.CB) [> 3.7510 = 6.2517 < 8.1272] w=0.1143 to align # Constraint # added constraint: constraint((T0325)K72.CB, (T0325)H92.CB) [> 4.1330 = 6.8884 < 8.9549] w=0.1139 to align # Constraint # added constraint: constraint((T0325)P176.CB, (T0325)N211.CB) [> 3.8188 = 6.3646 < 8.2740] w=0.1139 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)V132.CB) [> 3.7591 = 6.2652 < 8.1447] w=0.1135 to align # Constraint # added constraint: constraint((T0325)P17.CB, (T0325)Y43.CB) [> 4.0748 = 6.7914 < 8.8288] w=0.1135 to align # Constraint # added constraint: constraint((T0325)M179.CB, (T0325)T192.CB) [> 3.4781 = 5.7968 < 7.5358] w=0.1122 to align # Constraint # added constraint: constraint((T0325)V173.CB, (T0325)N211.CB) [> 3.8706 = 6.4510 < 8.3863] w=0.1120 to align # Constraint # added constraint: constraint((T0325)I220.CB, (T0325)R233.CB) [> 3.7302 = 6.2169 < 8.0820] w=0.1116 to align # Constraint # added constraint: constraint((T0325)V173.CB, (T0325)V207.CB) [> 3.7625 = 6.2708 < 8.1520] w=0.1116 to align # Constraint # added constraint: constraint((T0325)D127.CB, (T0325)E209.CB) [> 4.2695 = 7.1158 < 9.2506] w=0.1115 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)T65.CB) [> 3.7444 = 6.2407 < 8.1130] w=0.1114 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)T65.CB) [> 3.6267 = 6.0444 < 7.8578] w=0.1114 to align # Constraint # added constraint: constraint((T0325)N3.CB, (T0325)V31.CB) [> 4.1863 = 6.9771 < 9.0702] w=0.1113 to align # Constraint # added constraint: constraint((T0325)V31.CB, (T0325)L58.CB) [> 4.0454 = 6.7424 < 8.7651] w=0.1113 to align # Constraint # added constraint: constraint((T0325)Y181.CB, (T0325)I210.CB) [> 3.5438 = 5.9064 < 7.6783] w=0.1112 to align # Constraint # added constraint: constraint((T0325)A215.CB, (T0325)E234.CB) [> 3.5802 = 5.9670 < 7.7571] w=0.1108 to align # Constraint # added constraint: constraint((T0325)R159.CB, (T0325)P214.CB) [> 3.8671 = 6.4451 < 8.3786] w=0.1103 to align # Constraint # added constraint: constraint((T0325)E178.CB, (T0325)E209.CB) [> 3.8821 = 6.4702 < 8.4113] w=0.1095 to align # Constraint # added constraint: constraint((T0325)T163.CB, (T0325)I217.CB) [> 3.4057 = 5.6761 < 7.3789] w=0.1095 to align # Constraint # added constraint: constraint((T0325)Q182.CB, (T0325)I193.CB) [> 3.8647 = 6.4412 < 8.3735] w=0.1092 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)V62.CB) [> 4.2913 = 7.1522 < 9.2978] w=0.1086 to align # Constraint # added constraint: constraint((T0325)A59.CB, (T0325)Y257.CB) [> 3.8411 = 6.4018 < 8.3223] w=0.1084 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)E209.CB) [> 4.0761 = 6.7935 < 8.8316] w=0.1084 to align # Constraint # added constraint: constraint((T0325)I161.CB, (T0325)I193.CB) [> 3.2679 = 5.4465 < 7.0805] w=0.1084 to align # Constraint # added constraint: constraint((T0325)I74.CB, (T0325)N131.CB) [> 3.6377 = 6.0629 < 7.8817] w=0.1081 to align # Constraint # added constraint: constraint((T0325)A215.CB, (T0325)M229.CB) [> 4.0781 = 6.7969 < 8.8360] w=0.1081 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)V62.CB) [> 4.3559 = 7.2598 < 9.4377] w=0.1078 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)E204.CB) [> 4.0615 = 6.7692 < 8.8000] w=0.1078 to align # Constraint # added constraint: constraint((T0325)D12.CB, (T0325)H63.CB) [> 4.3797 = 7.2994 < 9.4893] w=0.1074 to align # Constraint # added constraint: constraint((T0325)H63.CB, (T0325)S128.CB) [> 4.2686 = 7.1143 < 9.2486] w=0.1073 to align # Constraint # added constraint: constraint((T0325)I210.CB, (T0325)Y257.CB) [> 3.8229 = 6.3715 < 8.2829] w=0.1073 to align # Constraint # added constraint: constraint((T0325)S50.CB, (T0325)I60.CB) [> 4.0465 = 6.7442 < 8.7674] w=0.1073 to align # Constraint # added constraint: constraint((T0325)V19.CB, (T0325)M229.CB) [> 4.0471 = 6.7452 < 8.7688] w=0.1073 to align # Constraint # added constraint: constraint((T0325)E178.CB, (T0325)I193.CB) [> 3.8184 = 6.3640 < 8.2732] w=0.1069 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)H63.CB) [> 3.4950 = 5.8250 < 7.5725] w=0.1067 to align # Constraint # added constraint: constraint((T0325)I161.CB, (T0325)I188.CB) [> 3.6130 = 6.0217 < 7.8283] w=0.1064 to align # Constraint # added constraint: constraint((T0325)F13.CB, (T0325)L38.CB) [> 3.4170 = 5.6950 < 7.4035] w=0.1062 to align # Constraint # added constraint: constraint((T0325)P214.CB, (T0325)V235.CB) [> 3.2224 = 5.3707 < 6.9819] w=0.1061 to align # Constraint # added constraint: constraint((T0325)D12.CB, (T0325)Y43.CB) [> 3.4946 = 5.8244 < 7.5717] w=0.1057 to align # Constraint # added constraint: constraint((T0325)Y166.CB, (T0325)L196.CB) [> 3.9187 = 6.5311 < 8.4905] w=0.1055 to align # Constraint # added constraint: constraint((T0325)H63.CB, (T0325)H130.CB) [> 3.5041 = 5.8402 < 7.5923] w=0.1053 to align # Constraint # added constraint: constraint((T0325)P214.CB, (T0325)C228.CB) [> 3.6750 = 6.1249 < 7.9624] w=0.1052 to align # Constraint # added constraint: constraint((T0325)P176.CB, (T0325)T192.CB) [> 4.2499 = 7.0833 < 9.2082] w=0.1044 to align # Constraint # added constraint: constraint((T0325)K72.CB, (T0325)F90.CB) [> 4.0880 = 6.8133 < 8.8573] w=0.1037 to align # Constraint # added constraint: constraint((T0325)L68.CB, (T0325)H129.CB) [> 3.7535 = 6.2559 < 8.1326] w=0.1035 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)E108.CB) [> 4.3580 = 7.2634 < 9.4424] w=0.1034 to align # Constraint # added constraint: constraint((T0325)Y184.CB, (T0325)I217.CB) [> 3.7323 = 6.2205 < 8.0866] w=0.1032 to align # Constraint # added constraint: constraint((T0325)V105.CB, (T0325)S128.CB) [> 4.1680 = 6.9467 < 9.0307] w=0.1028 to align # Constraint # added constraint: constraint((T0325)H133.CB, (T0325)Y170.CB) [> 3.7838 = 6.3064 < 8.1983] w=0.1027 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)V62.CB) [> 3.0164 = 5.0274 < 6.5356] w=0.1025 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)I60.CB) [> 3.1537 = 5.2561 < 6.8329] w=0.1025 to align # Constraint # added constraint: constraint((T0325)L154.CB, (T0325)M179.CB) [> 3.9374 = 6.5624 < 8.5311] w=0.1022 to align # Constraint # added constraint: constraint((T0325)A47.CB, (T0325)V62.CB) [> 3.7866 = 6.3109 < 8.2042] w=0.1021 to align # Constraint # added constraint: constraint((T0325)P214.CB, (T0325)P230.CB) [> 3.4880 = 5.8134 < 7.5574] w=0.1020 to align # Constraint # added constraint: constraint((T0325)N156.CB, (T0325)L169.CB) [> 4.0437 = 6.7395 < 8.7613] w=0.0997 to align # Constraint # added constraint: constraint((T0325)T33.CB, (T0325)V62.CB) [> 4.2197 = 7.0328 < 9.1427] w=0.0995 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)S128.CB) [> 3.4753 = 5.7922 < 7.5299] w=0.0992 to align # Constraint # added constraint: constraint((T0325)L196.CB, (T0325)E209.CB) [> 3.3818 = 5.6364 < 7.3273] w=0.0990 to align # Constraint # added constraint: constraint((T0325)V32.CB, (T0325)A255.CB) [> 3.9187 = 6.5311 < 8.4905] w=0.0989 to align # Constraint # added constraint: constraint((T0325)V32.CB, (T0325)E248.CB) [> 4.4466 = 7.4110 < 9.6343] w=0.0989 to align # Constraint # added constraint: constraint((T0325)M179.CB, (T0325)I188.CB) [> 3.7799 = 6.2999 < 8.1898] w=0.0989 to align # Constraint # added constraint: constraint((T0325)N156.CB, (T0325)V200.CB) [> 2.7057 = 4.5095 < 5.8624] w=0.0981 to align # Constraint # added constraint: constraint((T0325)T16.CB, (T0325)A47.CB) [> 3.8684 = 6.4474 < 8.3816] w=0.0975 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)I126.CB) [> 4.2289 = 7.0482 < 9.1626] w=0.0974 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)T65.CB) [> 3.3877 = 5.6461 < 7.3399] w=0.0973 to align # Constraint # added constraint: constraint((T0325)F13.CB, (T0325)L66.CB) [> 4.2470 = 7.0783 < 9.2018] w=0.0973 to align # Constraint # added constraint: constraint((T0325)I74.CB, (T0325)H130.CB) [> 4.1392 = 6.8986 < 8.9682] w=0.0968 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)P73.CB) [> 3.9905 = 6.6509 < 8.6461] w=0.0965 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)A255.CB) [> 3.3709 = 5.6182 < 7.3037] w=0.0964 to align # Constraint # added constraint: constraint((T0325)M179.CB, (T0325)I210.CB) [> 3.9147 = 6.5245 < 8.4818] w=0.0963 to align # Constraint # added constraint: constraint((T0325)L68.CB, (T0325)N131.CB) [> 3.4515 = 5.7525 < 7.4782] w=0.0960 to align # Constraint # added constraint: constraint((T0325)L64.CB, (T0325)E108.CB) [> 3.7230 = 6.2051 < 8.0666] w=0.0956 to align # Constraint # added constraint: constraint((T0325)R159.CB, (T0325)V200.CB) [> 4.1201 = 6.8668 < 8.9268] w=0.0955 to align # Constraint # added constraint: constraint((T0325)D127.CB, (T0325)R159.CB) [> 4.0764 = 6.7939 < 8.8321] w=0.0951 to align # Constraint # added constraint: constraint((T0325)D12.CB, (T0325)T40.CB) [> 4.0779 = 6.7965 < 8.8354] w=0.0949 to align # Constraint # added constraint: constraint((T0325)D177.CB, (T0325)E234.CB) [> 3.7228 = 6.2047 < 8.0661] w=0.0945 to align # Constraint # added constraint: constraint((T0325)D127.CB, (T0325)I210.CB) [> 3.8678 = 6.4463 < 8.3802] w=0.0941 to align # Constraint # added constraint: constraint((T0325)I193.CB, (T0325)E209.CB) [> 3.6006 = 6.0010 < 7.8013] w=0.0936 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)H63.CB) [> 3.6527 = 6.0878 < 7.9142] w=0.0935 to align # Constraint # added constraint: constraint((T0325)P76.CB, (T0325)H130.CB) [> 3.8176 = 6.3627 < 8.2715] w=0.0929 to align # Constraint # added constraint: constraint((T0325)D177.CB, (T0325)P230.CB) [> 3.4311 = 5.7185 < 7.4341] w=0.0926 to align # Constraint # added constraint: constraint((T0325)P214.CB, (T0325)M229.CB) [> 3.2364 = 5.3939 < 7.0121] w=0.0924 to align # Constraint # added constraint: constraint((T0325)D12.CB, (T0325)V80.CB) [> 3.5030 = 5.8383 < 7.5898] w=0.0921 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)T33.CB) [> 3.8029 = 6.3382 < 8.2396] w=0.0917 to align # Constraint # added constraint: constraint((T0325)V173.CB, (T0325)L196.CB) [> 4.1493 = 6.9156 < 8.9902] w=0.0916 to align # Constraint # added constraint: constraint((T0325)T163.CB, (T0325)Q195.CB) [> 3.5993 = 5.9988 < 7.7985] w=0.0910 to align # Constraint # added constraint: constraint((T0325)E178.CB, (T0325)L196.CB) [> 3.3217 = 5.5362 < 7.1970] w=0.0906 to align # Constraint # added constraint: constraint((T0325)V132.CB, (T0325)L196.CB) [> 4.2822 = 7.1370 < 9.2781] w=0.0905 to align # Constraint # added constraint: constraint((T0325)E178.CB, (T0325)N211.CB) [> 3.5573 = 5.9289 < 7.7076] w=0.0904 to align # Constraint # added constraint: constraint((T0325)L180.CB, (T0325)C212.CB) [> 4.0601 = 6.7669 < 8.7969] w=0.0903 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)L75.CB) [> 4.1077 = 6.8463 < 8.9001] w=0.0902 to align # Constraint # added constraint: constraint((T0325)P214.CB, (T0325)G226.CA) [> 3.2964 = 5.4939 < 7.1421] w=0.0901 to align # Constraint # added constraint: constraint((T0325)N69.CB, (T0325)N131.CB) [> 4.2921 = 7.1535 < 9.2995] w=0.0901 to align # Constraint # added constraint: constraint((T0325)N3.CB, (T0325)V32.CB) [> 4.1991 = 6.9984 < 9.0980] w=0.0901 to align # Constraint # added constraint: constraint((T0325)H213.CB, (T0325)E234.CB) [> 3.4570 = 5.7616 < 7.4901] w=0.0899 to align # Constraint # added constraint: constraint((T0325)Q182.CB, (T0325)I210.CB) [> 4.0131 = 6.6884 < 8.6950] w=0.0895 to align # Constraint # added constraint: constraint((T0325)V80.CB, (T0325)E108.CB) [> 4.2739 = 7.1232 < 9.2602] w=0.0894 to align # Constraint # added constraint: constraint((T0325)F13.CB, (T0325)T67.CB) [> 3.6851 = 6.1418 < 7.9844] w=0.0892 to align # Constraint # added constraint: constraint((T0325)R159.CB, (T0325)E178.CB) [> 4.3212 = 7.2020 < 9.3627] w=0.0889 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)V62.CB) [> 3.4743 = 5.7904 < 7.5276] w=0.0884 to align # Constraint # added constraint: constraint((T0325)V105.CB, (T0325)I126.CB) [> 4.0378 = 6.7296 < 8.7485] w=0.0882 to align # Constraint # added constraint: constraint((T0325)I126.CB, (T0325)E209.CB) [> 3.7199 = 6.1998 < 8.0597] w=0.0880 to align # Constraint # added constraint: constraint((T0325)I220.CB, (T0325)P230.CB) [> 3.6388 = 6.0647 < 7.8841] w=0.0879 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)Y43.CB) [> 3.9526 = 6.5877 < 8.5639] w=0.0879 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)A47.CB) [> 3.6177 = 6.0294 < 7.8383] w=0.0879 to align # Constraint # added constraint: constraint((T0325)L75.CB, (T0325)Y89.CB) [> 3.2446 = 5.4077 < 7.0301] w=0.0864 to align # Constraint # added constraint: constraint((T0325)A215.CB, (T0325)N256.CB) [> 3.8808 = 6.4680 < 8.4085] w=0.0862 to align # Constraint # added constraint: constraint((T0325)I193.CB, (T0325)N211.CB) [> 4.2263 = 7.0438 < 9.1570] w=0.0861 to align # Constraint # added constraint: constraint((T0325)I60.CB, (T0325)I126.CB) [> 3.8106 = 6.3510 < 8.2563] w=0.0854 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)I95.CB) [> 3.7488 = 6.2480 < 8.1224] w=0.0848 to align # Constraint # added constraint: constraint((T0325)A215.CB, (T0325)C228.CB) [> 4.0692 = 6.7819 < 8.8165] w=0.0842 to align # Constraint # added constraint: constraint((T0325)M179.CB, (T0325)F208.CB) [> 3.3354 = 5.5591 < 7.2268] w=0.0842 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)I60.CB) [> 3.4743 = 5.7904 < 7.5275] w=0.0841 to align # Constraint # added constraint: constraint((T0325)H27.CB, (T0325)V235.CB) [> 4.5596 = 7.5993 < 9.8791] w=0.0836 to align # Constraint # added constraint: constraint((T0325)R159.CB, (T0325)L180.CB) [> 2.9494 = 4.9156 < 6.3903] w=0.0829 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)H213.CB) [> 4.0111 = 6.6852 < 8.6907] w=0.0816 to align # Constraint # added constraint: constraint((T0325)Q182.CB, (T0325)L196.CB) [> 3.7925 = 6.3208 < 8.2170] w=0.0814 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)L68.CB) [> 3.4117 = 5.6861 < 7.3920] w=0.0814 to align # Constraint # added constraint: constraint((T0325)N211.CB, (T0325)Q224.CB) [> 3.4009 = 5.6682 < 7.3686] w=0.0811 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)I210.CB) [> 4.3231 = 7.2051 < 9.3667] w=0.0808 to align # Constraint # added constraint: constraint((T0325)D12.CB, (T0325)L66.CB) [> 3.9473 = 6.5789 < 8.5526] w=0.0803 to align # Constraint # added constraint: constraint((T0325)E178.CB, (T0325)H213.CB) [> 3.4591 = 5.7651 < 7.4947] w=0.0803 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)A111.CB) [> 3.5020 = 5.8366 < 7.5876] w=0.0800 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)L68.CB) [> 3.3850 = 5.6416 < 7.3341] w=0.0799 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)D127.CB) [> 3.4124 = 5.6873 < 7.3935] w=0.0798 to align # Constraint # added constraint: constraint((T0325)L83.CB, (T0325)I95.CB) [> 3.3120 = 5.5201 < 7.1761] w=0.0797 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)Q182.CB) [> 4.0951 = 6.8252 < 8.8727] w=0.0794 to align # Constraint # added constraint: constraint((T0325)T65.CB, (T0325)V105.CB) [> 3.6864 = 6.1440 < 7.9872] w=0.0793 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)V62.CB) [> 4.3119 = 7.1865 < 9.3424] w=0.0791 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)L66.CB) [> 4.0568 = 6.7614 < 8.7898] w=0.0786 to align # Constraint # added constraint: constraint((T0325)E178.CB, (T0325)C228.CB) [> 4.5062 = 7.5104 < 9.7635] w=0.0782 to align # Constraint # added constraint: constraint((T0325)D177.CB, (T0325)C228.CB) [> 3.9393 = 6.5655 < 8.5351] w=0.0782 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)P39.CB) [> 2.6121 = 4.3535 < 5.6596] w=0.0777 to align # Constraint # added constraint: constraint((T0325)A215.CB, (T0325)Q224.CB) [> 3.6202 = 6.0337 < 7.8439] w=0.0774 to align # Constraint # added constraint: constraint((T0325)H213.CB, (T0325)A255.CB) [> 3.1129 = 5.1882 < 6.7446] w=0.0771 to align # Constraint # added constraint: constraint((T0325)R77.CB, (T0325)A87.CB) [> 3.0984 = 5.1641 < 6.7133] w=0.0765 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)N69.CB) [> 4.3147 = 7.1912 < 9.3485] w=0.0761 to align # Constraint # added constraint: constraint((T0325)P214.CB, (T0325)R233.CB) [> 3.9858 = 6.6430 < 8.6359] w=0.0757 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)I126.CB) [> 3.4368 = 5.7280 < 7.4464] w=0.0750 to align # Constraint # added constraint: constraint((T0325)G22.CA, (T0325)V32.CB) [> 3.9773 = 6.6288 < 8.6174] w=0.0748 to align # Constraint # added constraint: constraint((T0325)A59.CB, (T0325)G120.CA) [> 4.1235 = 6.8726 < 8.9343] w=0.0746 to align # Constraint # added constraint: constraint((T0325)R159.CB, (T0325)M179.CB) [> 3.6014 = 6.0024 < 7.8031] w=0.0738 to align # Constraint # added constraint: constraint((T0325)I126.CB, (T0325)I210.CB) [> 3.7132 = 6.1887 < 8.0453] w=0.0733 to align # Constraint # added constraint: constraint((T0325)R159.CB, (T0325)L196.CB) [> 3.8638 = 6.4397 < 8.3716] w=0.0732 to align # Constraint # added constraint: constraint((T0325)T219.CB, (T0325)R233.CB) [> 3.6496 = 6.0826 < 7.9074] w=0.0730 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)G22.CA) [> 4.0484 = 6.7473 < 8.7715] w=0.0730 to align # Constraint # added constraint: constraint((T0325)Y181.CB, (T0325)E209.CB) [> 3.8458 = 6.4096 < 8.3325] w=0.0728 to align # Constraint # added constraint: constraint((T0325)L68.CB, (T0325)E108.CB) [> 3.5112 = 5.8520 < 7.6077] w=0.0728 to align # Constraint # added constraint: constraint((T0325)A59.CB, (T0325)E258.CB) [> 3.7056 = 6.1760 < 8.0288] w=0.0727 to align # Constraint # added constraint: constraint((T0325)S41.CB, (T0325)A111.CB) [> 3.3081 = 5.5135 < 7.1676] w=0.0723 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)I60.CB) [> 4.1271 = 6.8784 < 8.9420] w=0.0723 to align # Constraint # added constraint: constraint((T0325)M179.CB, (T0325)F216.CB) [> 3.1006 = 5.1676 < 6.7179] w=0.0720 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)P76.CB) [> 3.4315 = 5.7192 < 7.4349] w=0.0712 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)D127.CB) [> 3.5862 = 5.9770 < 7.7701] w=0.0712 to align # Constraint # added constraint: constraint((T0325)D12.CB, (T0325)A47.CB) [> 3.3817 = 5.6361 < 7.3269] w=0.0703 to align # Constraint # added constraint: constraint((T0325)L75.CB, (T0325)S128.CB) [> 3.3137 = 5.5228 < 7.1796] w=0.0701 to align # Constraint # added constraint: constraint((T0325)D177.CB, (T0325)N211.CB) [> 3.8973 = 6.4955 < 8.4441] w=0.0699 to align # Constraint # added constraint: constraint((T0325)G22.CA, (T0325)V235.CB) [> 3.4039 = 5.6732 < 7.3751] w=0.0698 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)L68.CB) [> 2.8495 = 4.7492 < 6.1740] w=0.0694 to align # Constraint # added constraint: constraint((T0325)F90.CB, (T0325)V105.CB) [> 3.8589 = 6.4316 < 8.3611] w=0.0690 to align # Constraint # added constraint: constraint((T0325)H63.CB, (T0325)N211.CB) [> 4.4334 = 7.3891 < 9.6058] w=0.0689 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)S128.CB) [> 3.3950 = 5.6583 < 7.3558] w=0.0689 to align # Constraint # added constraint: constraint((T0325)R77.CB, (T0325)G134.CA) [> 3.5083 = 5.8472 < 7.6014] w=0.0688 to align # Constraint # added constraint: constraint((T0325)S41.CB, (T0325)W91.CB) [> 3.4921 = 5.8202 < 7.5663] w=0.0688 to align # Constraint # added constraint: constraint((T0325)A215.CB, (T0325)R233.CB) [> 4.2730 = 7.1216 < 9.2581] w=0.0686 to align # Constraint # added constraint: constraint((T0325)H63.CB, (T0325)N156.CB) [> 3.7994 = 6.3323 < 8.2320] w=0.0685 to align # Constraint # added constraint: constraint((T0325)A26.CB, (T0325)E236.CB) [> 3.8228 = 6.3713 < 8.2827] w=0.0685 to align # Constraint # added constraint: constraint((T0325)E178.CB, (T0325)I210.CB) [> 4.2954 = 7.1589 < 9.3066] w=0.0682 to align # Constraint # added constraint: constraint((T0325)G22.CA, (T0325)D127.CB) [> 4.0690 = 6.7816 < 8.8161] w=0.0681 to align # Constraint # added constraint: constraint((T0325)D218.CB, (T0325)I232.CB) [> 3.7929 = 6.3215 < 8.2179] w=0.0681 to align # Constraint # added constraint: constraint((T0325)V62.CB, (T0325)S128.CB) [> 3.6963 = 6.1606 < 8.0087] w=0.0678 to align # Constraint # added constraint: constraint((T0325)L68.CB, (T0325)V132.CB) [> 4.0508 = 6.7514 < 8.7768] w=0.0677 to align # Constraint # added constraint: constraint((T0325)M179.CB, (T0325)E209.CB) [> 3.8448 = 6.4080 < 8.3305] w=0.0674 to align # Constraint # added constraint: constraint((T0325)L180.CB, (T0325)H213.CB) [> 2.8498 = 4.7497 < 6.1746] w=0.0673 to align # Constraint # added constraint: constraint((T0325)G22.CA, (T0325)T33.CB) [> 4.4349 = 7.3914 < 9.6088] w=0.0668 to align # Constraint # added constraint: constraint((T0325)V62.CB, (T0325)E108.CB) [> 4.0311 = 6.7185 < 8.7340] w=0.0668 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)V207.CB) [> 3.8200 = 6.3667 < 8.2767] w=0.0667 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)L64.CB) [> 4.2832 = 7.1387 < 9.2803] w=0.0666 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)G30.CA) [> 3.7642 = 6.2737 < 8.1558] w=0.0659 to align # Constraint # added constraint: constraint((T0325)L221.CB, (T0325)V243.CB) [> 3.3378 = 5.5630 < 7.2320] w=0.0656 to align # Constraint # added constraint: constraint((T0325)P214.CB, (T0325)L238.CB) [> 3.6624 = 6.1040 < 7.9352] w=0.0655 to align # Constraint # added constraint: constraint((T0325)F216.CB, (T0325)V235.CB) [> 3.9378 = 6.5630 < 8.5319] w=0.0652 to align # Constraint # added constraint: constraint((T0325)I210.CB, (T0325)V235.CB) [> 4.0588 = 6.7646 < 8.7940] w=0.0648 to align # Constraint # added constraint: constraint((T0325)C212.CB, (T0325)I237.CB) [> 4.2880 = 7.1466 < 9.2906] w=0.0646 to align # Constraint # added constraint: constraint((T0325)L221.CB, (T0325)P230.CB) [> 3.8826 = 6.4709 < 8.4122] w=0.0644 to align # Constraint # added constraint: constraint((T0325)D177.CB, (T0325)G226.CA) [> 4.1793 = 6.9655 < 9.0551] w=0.0642 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)V62.CB) [> 3.8798 = 6.4663 < 8.4062] w=0.0641 to align # Constraint # added constraint: constraint((T0325)T163.CB, (T0325)P214.CB) [> 2.5413 = 4.2355 < 5.5062] w=0.0639 to align # Constraint # added constraint: constraint((T0325)H213.CB, (T0325)I237.CB) [> 3.6774 = 6.1291 < 7.9678] w=0.0638 to align # Constraint # added constraint: constraint((T0325)L68.CB, (T0325)D127.CB) [> 4.2720 = 7.1201 < 9.2561] w=0.0636 to align # Constraint # added constraint: constraint((T0325)A215.CB, (T0325)S259.CB) [> 3.7004 = 6.1673 < 8.0175] w=0.0625 to align # Constraint # added constraint: constraint((T0325)L180.CB, (T0325)I210.CB) [> 4.1917 = 6.9861 < 9.0820] w=0.0624 to align # Constraint # added constraint: constraint((T0325)L180.CB, (T0325)E209.CB) [> 3.4222 = 5.7037 < 7.4148] w=0.0624 to align # Constraint # added constraint: constraint((T0325)I126.CB, (T0325)N211.CB) [> 4.3594 = 7.2656 < 9.4453] w=0.0612 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)N211.CB) [> 3.9724 = 6.6206 < 8.6068] w=0.0611 to align # Constraint # added constraint: constraint((T0325)N156.CB, (T0325)C212.CB) [> 3.9584 = 6.5973 < 8.5765] w=0.0610 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)P73.CB) [> 4.4023 = 7.3371 < 9.5383] w=0.0604 to align # Constraint # added constraint: constraint((T0325)H63.CB, (T0325)I74.CB) [> 4.1233 = 6.8721 < 8.9337] w=0.0604 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)R159.CB) [> 3.9280 = 6.5466 < 8.5106] w=0.0602 to align # Constraint # added constraint: constraint((T0325)Y227.CB, (T0325)E236.CB) [> 3.0219 = 5.0364 < 6.5473] w=0.0600 to align # Constraint # added constraint: constraint((T0325)I193.CB, (T0325)P214.CB) [> 4.0239 = 6.7065 < 8.7185] w=0.0592 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)A47.CB) [> 4.3320 = 7.2201 < 9.3861] w=0.0590 to align # Constraint # added constraint: constraint((T0325)G14.CA, (T0325)H213.CB) [> 3.7413 = 6.2354 < 8.1061] w=0.0590 to align # Constraint # added constraint: constraint((T0325)D177.CB, (T0325)E209.CB) [> 4.3109 = 7.1849 < 9.3403] w=0.0587 to align # Constraint # added constraint: constraint((T0325)N211.CB, (T0325)E234.CB) [> 4.0042 = 6.6737 < 8.6758] w=0.0587 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)N211.CB) [> 3.4794 = 5.7990 < 7.5387] w=0.0579 to align # Constraint # added constraint: constraint((T0325)P230.CB, (T0325)T239.CB) [> 2.9814 = 4.9689 < 6.4596] w=0.0578 to align # Constraint # added constraint: constraint((T0325)M229.CB, (T0325)S240.CB) [> 4.4304 = 7.3840 < 9.5992] w=0.0578 to align # Constraint # added constraint: constraint((T0325)D127.CB, (T0325)L144.CB) [> 3.8530 = 6.4216 < 8.3481] w=0.0571 to align # Constraint # added constraint: constraint((T0325)N156.CB, (T0325)D177.CB) [> 4.0778 = 6.7963 < 8.8352] w=0.0566 to align # Constraint # added constraint: constraint((T0325)N211.CB, (T0325)C228.CB) [> 3.2390 = 5.3984 < 7.0179] w=0.0565 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)L66.CB) [> 4.2180 = 7.0300 < 9.1390] w=0.0564 to align # Constraint # added constraint: constraint((T0325)H213.CB, (T0325)M229.CB) [> 4.4519 = 7.4198 < 9.6458] w=0.0563 to align # Constraint # added constraint: constraint((T0325)R159.CB, (T0325)Y227.CB) [> 3.8578 = 6.4297 < 8.3586] w=0.0555 to align # Constraint # added constraint: constraint((T0325)P73.CB, (T0325)I126.CB) [> 3.5930 = 5.9883 < 7.7848] w=0.0554 to align # Constraint # added constraint: constraint((T0325)I193.CB, (T0325)L238.CB) [> 3.8956 = 6.4927 < 8.4404] w=0.0546 to align # Constraint # added constraint: constraint((T0325)F13.CB, (T0325)A47.CB) [> 2.9481 = 4.9135 < 6.3875] w=0.0544 to align # Constraint # added constraint: constraint((T0325)Y181.CB, (T0325)P214.CB) [> 3.6721 = 6.1201 < 7.9562] w=0.0544 to align # Constraint # added constraint: constraint((T0325)L180.CB, (T0325)P214.CB) [> 3.0065 = 5.0108 < 6.5141] w=0.0544 to align # Constraint # added constraint: constraint((T0325)M199.CB, (T0325)T239.CB) [> 4.2805 = 7.1342 < 9.2744] w=0.0539 to align # Constraint # added constraint: constraint((T0325)A59.CB, (T0325)I126.CB) [> 4.2914 = 7.1523 < 9.2979] w=0.0533 to align # Constraint # added constraint: constraint((T0325)P73.CB, (T0325)Y89.CB) [> 3.6821 = 6.1369 < 7.9780] w=0.0533 to align # Constraint # added constraint: constraint((T0325)Y181.CB, (T0325)L196.CB) [> 3.9803 = 6.6339 < 8.6241] w=0.0527 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)A59.CB) [> 4.1678 = 6.9464 < 9.0303] w=0.0526 to align # Constraint # added constraint: constraint((T0325)L196.CB, (T0325)C212.CB) [> 4.7087 = 7.8478 < 10.2021] w=0.0525 to align # Constraint # added constraint: constraint((T0325)T33.CB, (T0325)H63.CB) [> 3.0497 = 5.0828 < 6.6076] w=0.0520 to align # Constraint # added constraint: constraint((T0325)T65.CB, (T0325)V84.CB) [> 3.6058 = 6.0097 < 7.8127] w=0.0518 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)H213.CB) [> 4.2382 = 7.0636 < 9.1827] w=0.0515 to align # Constraint # added constraint: constraint((T0325)P214.CB, (T0325)I237.CB) [> 3.4014 = 5.6691 < 7.3698] w=0.0511 to align # Constraint # added constraint: constraint((T0325)Y181.CB, (T0325)I193.CB) [> 3.7189 = 6.1982 < 8.0577] w=0.0509 to align # Constraint # added constraint: constraint((T0325)I193.CB, (T0325)M229.CB) [> 4.1926 = 6.9876 < 9.0839] w=0.0509 to align # Constraint # added constraint: constraint((T0325)D218.CB, (T0325)S240.CB) [> 3.8299 = 6.3832 < 8.2981] w=0.0492 to align # Constraint # added constraint: constraint((T0325)I193.CB, (T0325)H213.CB) [> 4.5452 = 7.5753 < 9.8479] w=0.0490 to align # Constraint # added constraint: constraint((T0325)R159.CB, (T0325)C212.CB) [> 3.0231 = 5.0386 < 6.5501] w=0.0488 to align # Constraint # added constraint: constraint((T0325)F13.CB, (T0325)S128.CB) [> 3.9773 = 6.6289 < 8.6175] w=0.0486 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)L238.CB) [> 4.5534 = 7.5890 < 9.8656] w=0.0484 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)V84.CB) [> 3.1652 = 5.2753 < 6.8579] w=0.0479 to align # Constraint # added constraint: constraint((T0325)D127.CB, (T0325)H213.CB) [> 4.3954 = 7.3257 < 9.5233] w=0.0473 to align # Constraint # added constraint: constraint((T0325)S2.CB, (T0325)I252.CB) [> 4.2511 = 7.0852 < 9.2107] w=0.0471 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)I126.CB) [> 4.6901 = 7.8168 < 10.1618] w=0.0461 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)V105.CB) [> 3.0750 = 5.1250 < 6.6625] w=0.0459 to align # Constraint # added constraint: constraint((T0325)Y89.CB, (T0325)Y181.CB) [> 3.9325 = 6.5542 < 8.5204] w=0.0456 to align # Constraint # added constraint: constraint((T0325)R29.CB, (T0325)T57.CB) [> 4.7306 = 7.8843 < 10.2496] w=0.0456 to align # Constraint # added constraint: constraint((T0325)D12.CB, (T0325)A215.CB) [> 4.0465 = 6.7441 < 8.7673] w=0.0454 to align # Constraint # added constraint: constraint((T0325)L196.CB, (T0325)I237.CB) [> 2.8830 = 4.8050 < 6.2465] w=0.0454 to align # Constraint # added constraint: constraint((T0325)E209.CB, (T0325)Y227.CB) [> 4.5660 = 7.6100 < 9.8930] w=0.0453 to align # Constraint # added constraint: constraint((T0325)I220.CB, (T0325)T239.CB) [> 3.3700 = 5.6166 < 7.3016] w=0.0447 to align # Constraint # added constraint: constraint((T0325)D12.CB, (T0325)N211.CB) [> 2.7753 = 4.6255 < 6.0131] w=0.0445 to align # Constraint # added constraint: constraint((T0325)T65.CB, (T0325)N211.CB) [> 4.6839 = 7.8065 < 10.1484] w=0.0445 to align # Constraint # added constraint: constraint((T0325)T65.CB, (T0325)E209.CB) [> 4.2986 = 7.1643 < 9.3135] w=0.0445 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)D127.CB) [> 4.2667 = 7.1111 < 9.2444] w=0.0444 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)D127.CB) [> 3.6343 = 6.0571 < 7.8743] w=0.0444 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)N211.CB) [> 4.4552 = 7.4254 < 9.6530] w=0.0438 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)H213.CB) [> 4.3257 = 7.2096 < 9.3724] w=0.0438 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)P214.CB) [> 4.0406 = 6.7343 < 8.7546] w=0.0436 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)L196.CB) [> 3.8691 = 6.4486 < 8.3831] w=0.0433 to align # Constraint # added constraint: constraint((T0325)L221.CB, (T0325)I232.CB) [> 2.5949 = 4.3248 < 5.6222] w=0.0433 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)F90.CB) [> 3.7512 = 6.2520 < 8.1277] w=0.0428 to align # Constraint # added constraint: constraint((T0325)Y170.CB, (T0325)H213.CB) [> 2.9677 = 4.9461 < 6.4299] w=0.0427 to align # Constraint # added constraint: constraint((T0325)L196.CB, (T0325)N211.CB) [> 4.1464 = 6.9107 < 8.9839] w=0.0424 to align # Constraint # added constraint: constraint((T0325)C212.CB, (T0325)L260.CB) [> 3.6215 = 6.0358 < 7.8466] w=0.0418 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)C212.CB) [> 3.7022 = 6.1703 < 8.0214] w=0.0408 to align # Constraint # added constraint: constraint((T0325)F13.CB, (T0325)P214.CB) [> 4.5043 = 7.5071 < 9.7593] w=0.0408 to align # Constraint # added constraint: constraint((T0325)H130.CB, (T0325)Y170.CB) [> 3.8938 = 6.4896 < 8.4365] w=0.0402 to align # Constraint # added constraint: constraint((T0325)N156.CB, (T0325)I193.CB) [> 4.1657 = 6.9429 < 9.0258] w=0.0398 to align # Constraint # added constraint: constraint((T0325)T65.CB, (T0325)L75.CB) [> 2.2762 = 3.7937 < 4.9319] w=0.0397 to align # Constraint # added constraint: constraint((T0325)T65.CB, (T0325)E108.CB) [> 3.3974 = 5.6624 < 7.3611] w=0.0396 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)I210.CB) [> 4.2723 = 7.1204 < 9.2565] w=0.0392 to align # Constraint # added constraint: constraint((T0325)L144.CB, (T0325)L196.CB) [> 4.0529 = 6.7548 < 8.7812] w=0.0384 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)I60.CB) [> 3.6633 = 6.1055 < 7.9372] w=0.0383 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)H63.CB) [> 4.3685 = 7.2809 < 9.4651] w=0.0368 to align # Constraint # added constraint: constraint((T0325)I60.CB, (T0325)D127.CB) [> 3.8060 = 6.3434 < 8.2464] w=0.0364 to align # Constraint # added constraint: constraint((T0325)A18.CB, (T0325)R29.CB) [> 4.0608 = 6.7680 < 8.7984] w=0.0363 to align # Constraint # added constraint: constraint((T0325)P73.CB, (T0325)S128.CB) [> 3.6016 = 6.0027 < 7.8035] w=0.0362 to align # Constraint # added constraint: constraint((T0325)V62.CB, (T0325)P73.CB) [> 3.1613 = 5.2688 < 6.8494] w=0.0362 to align # Constraint # added constraint: constraint((T0325)F13.CB, (T0325)H63.CB) [> 4.0227 = 6.7045 < 8.7158] w=0.0360 to align # Constraint # added constraint: constraint((T0325)V62.CB, (T0325)N156.CB) [> 3.4464 = 5.7441 < 7.4673] w=0.0360 to align # Constraint # added constraint: constraint((T0325)E25.CB, (T0325)L238.CB) [> 2.4143 = 4.0239 < 5.2311] w=0.0360 to align # Constraint # added constraint: constraint((T0325)V80.CB, (T0325)F96.CB) [> 4.0486 = 6.7477 < 8.7720] w=0.0356 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)D127.CB) [> 2.8999 = 4.8332 < 6.2832] w=0.0355 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)R159.CB) [> 3.8588 = 6.4314 < 8.3608] w=0.0353 to align # Constraint # added constraint: constraint((T0325)L75.CB, (T0325)F90.CB) [> 2.8847 = 4.8078 < 6.2502] w=0.0353 to align # Constraint # added constraint: constraint((T0325)F44.CB, (T0325)V84.CB) [> 4.0622 = 6.7704 < 8.8015] w=0.0353 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)T36.CB) [> 4.3453 = 7.2421 < 9.4148] w=0.0352 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)L38.CB) [> 3.7106 = 6.1844 < 8.0397] w=0.0352 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)L38.CB) [> 4.3571 = 7.2618 < 9.4404] w=0.0352 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)F96.CB) [> 4.5091 = 7.5152 < 9.7697] w=0.0352 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)Y170.CB) [> 4.4568 = 7.4280 < 9.6564] w=0.0351 to align # Constraint # added constraint: constraint((T0325)N156.CB, (T0325)L196.CB) [> 4.2516 = 7.0861 < 9.2119] w=0.0347 to align # Constraint # added constraint: constraint((T0325)I217.CB, (T0325)L260.CB) [> 4.4873 = 7.4789 < 9.7226] w=0.0347 to align # Constraint # added constraint: constraint((T0325)A215.CB, (T0325)L260.CB) [> 2.9491 = 4.9151 < 6.3896] w=0.0347 to align # Constraint # added constraint: constraint((T0325)P214.CB, (T0325)L260.CB) [> 2.6604 = 4.4341 < 5.7643] w=0.0347 to align # Constraint # added constraint: constraint((T0325)P214.CB, (T0325)S259.CB) [> 4.4959 = 7.4932 < 9.7411] w=0.0347 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)H213.CB) [> 4.4905 = 7.4842 < 9.7294] w=0.0346 to align # Constraint # added constraint: constraint((T0325)T33.CB, (T0325)L64.CB) [> 4.1600 = 6.9333 < 9.0133] w=0.0343 to align # Constraint # added constraint: constraint((T0325)A47.CB, (T0325)L66.CB) [> 4.5462 = 7.5770 < 9.8501] w=0.0341 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)E209.CB) [> 3.8624 = 6.4373 < 8.3685] w=0.0338 to align # Constraint # added constraint: constraint((T0325)I210.CB, (T0325)L260.CB) [> 4.3909 = 7.3182 < 9.5136] w=0.0335 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)T67.CB) [> 3.9253 = 6.5422 < 8.5048] w=0.0335 to align # Constraint # added constraint: constraint((T0325)P73.CB, (T0325)D127.CB) [> 4.7026 = 7.8377 < 10.1890] w=0.0334 to align # Constraint # added constraint: constraint((T0325)F90.CB, (T0325)E108.CB) [> 3.6237 = 6.0396 < 7.8515] w=0.0332 to align # Constraint # added constraint: constraint((T0325)F13.CB, (T0325)T40.CB) [> 4.5018 = 7.5030 < 9.7539] w=0.0330 to align # Constraint # added constraint: constraint((T0325)E25.CB, (T0325)Y227.CB) [> 4.2265 = 7.0441 < 9.1574] w=0.0328 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)C212.CB) [> 3.5776 = 5.9626 < 7.7514] w=0.0325 to align # Constraint # added constraint: constraint((T0325)A215.CB, (T0325)I237.CB) [> 3.0305 = 5.0509 < 6.5662] w=0.0325 to align # Constraint # added constraint: constraint((T0325)L196.CB, (T0325)L238.CB) [> 4.6788 = 7.7980 < 10.1374] w=0.0324 to align # Constraint # added constraint: constraint((T0325)N156.CB, (T0325)H213.CB) [> 3.3094 = 5.5157 < 7.1704] w=0.0320 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)P214.CB) [> 4.2939 = 7.1566 < 9.3035] w=0.0318 to align # Constraint # added constraint: constraint((T0325)T65.CB, (T0325)N156.CB) [> 4.6461 = 7.7436 < 10.0666] w=0.0316 to align # Constraint # added constraint: constraint((T0325)D127.CB, (T0325)C212.CB) [> 4.5046 = 7.5077 < 9.7600] w=0.0315 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)L64.CB) [> 4.1290 = 6.8816 < 8.9461] w=0.0313 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)H63.CB) [> 4.4705 = 7.4508 < 9.6860] w=0.0311 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)H63.CB) [> 3.4658 = 5.7764 < 7.5093] w=0.0311 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)H63.CB) [> 3.8486 = 6.4144 < 8.3387] w=0.0311 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)S128.CB) [> 3.3589 = 5.5982 < 7.2776] w=0.0306 to align # Constraint # added constraint: constraint((T0325)Y181.CB, (T0325)G226.CA) [> 4.4439 = 7.4064 < 9.6284] w=0.0305 to align # Constraint # added constraint: constraint((T0325)P42.CB, (T0325)T65.CB) [> 4.5408 = 7.5679 < 9.8383] w=0.0296 to align # Constraint # added constraint: constraint((T0325)T33.CB, (T0325)N211.CB) [> 3.6531 = 6.0885 < 7.9150] w=0.0296 to align # Constraint # added constraint: constraint((T0325)T33.CB, (T0325)I210.CB) [> 3.4249 = 5.7083 < 7.4207] w=0.0296 to align # Constraint # added constraint: constraint((T0325)L66.CB, (T0325)I193.CB) [> 3.9354 = 6.5590 < 8.5266] w=0.0296 to align # Constraint # added constraint: constraint((T0325)L66.CB, (T0325)L196.CB) [> 4.6958 = 7.8263 < 10.1741] w=0.0296 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)I210.CB) [> 3.8573 = 6.4288 < 8.3574] w=0.0295 to align # Constraint # added constraint: constraint((T0325)T33.CB, (T0325)E209.CB) [> 4.5507 = 7.5845 < 9.8599] w=0.0294 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)C212.CB) [> 4.1233 = 6.8721 < 8.9337] w=0.0293 to align # Constraint # added constraint: constraint((T0325)R159.CB, (T0325)I193.CB) [> 2.8745 = 4.7909 < 6.2281] w=0.0292 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)T65.CB) [> 4.0418 = 6.7364 < 8.7573] w=0.0290 to align # Constraint # added constraint: constraint((T0325)L75.CB, (T0325)R159.CB) [> 3.6463 = 6.0771 < 7.9003] w=0.0287 to align # Constraint # added constraint: constraint((T0325)S2.CB, (T0325)A59.CB) [> 4.7057 = 7.8428 < 10.1957] w=0.0283 to align # Constraint # added constraint: constraint((T0325)S2.CB, (T0325)I60.CB) [> 3.3063 = 5.5105 < 7.1636] w=0.0283 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)T40.CB) [> 4.4141 = 7.3568 < 9.5638] w=0.0283 to align # Constraint # added constraint: constraint((T0325)F13.CB, (T0325)P73.CB) [> 4.2834 = 7.1390 < 9.2807] w=0.0283 to align # Constraint # added constraint: constraint((T0325)A47.CB, (T0325)A59.CB) [> 4.3984 = 7.3306 < 9.5298] w=0.0283 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)I60.CB) [> 3.9494 = 6.5823 < 8.5570] w=0.0252 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)A59.CB) [> 4.4430 = 7.4050 < 9.6265] w=0.0249 to align # Constraint # added constraint: constraint((T0325)I126.CB, (T0325)R159.CB) [> 4.5703 = 7.6172 < 9.9024] w=0.0246 to align # Constraint # added constraint: constraint((T0325)L144.CB, (T0325)R159.CB) [> 3.2940 = 5.4901 < 7.1371] w=0.0246 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)R159.CB) [> 4.6723 = 7.7872 < 10.1233] w=0.0242 to align # Constraint # added constraint: constraint((T0325)L64.CB, (T0325)N156.CB) [> 4.0541 = 6.7569 < 8.7840] w=0.0241 to align # Constraint # added constraint: constraint((T0325)R159.CB, (T0325)C202.CB) [> 2.9313 = 4.8855 < 6.3512] w=0.0241 to align # Constraint # added constraint: constraint((T0325)H63.CB, (T0325)L75.CB) [> 3.7796 = 6.2994 < 8.1892] w=0.0238 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)L75.CB) [> 4.2202 = 7.0337 < 9.1439] w=0.0237 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)I126.CB) [> 4.7581 = 7.9302 < 10.3093] w=0.0237 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)S128.CB) [> 4.0836 = 6.8060 < 8.8478] w=0.0237 to align # Constraint # added constraint: constraint((T0325)A47.CB, (T0325)F96.CB) [> 4.2308 = 7.0513 < 9.1667] w=0.0237 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)L75.CB) [> 2.8110 = 4.6851 < 6.0906] w=0.0237 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)L75.CB) [> 2.5791 = 4.2985 < 5.5880] w=0.0237 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)L66.CB) [> 4.2581 = 7.0968 < 9.2259] w=0.0236 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)L64.CB) [> 4.2007 = 7.0012 < 9.1016] w=0.0235 to align # Constraint # added constraint: constraint((T0325)P73.CB, (T0325)E209.CB) [> 4.5318 = 7.5529 < 9.8188] w=0.0231 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)I217.CB) [> 4.7432 = 7.9053 < 10.2768] w=0.0231 to align # Constraint # added constraint: constraint((T0325)E108.CB, (T0325)N211.CB) [> 2.9959 = 4.9931 < 6.4911] w=0.0231 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)E209.CB) [> 4.7938 = 7.9897 < 10.3866] w=0.0231 to align # Constraint # added constraint: constraint((T0325)D12.CB, (T0325)F216.CB) [> 4.4080 = 7.3467 < 9.5507] w=0.0231 to align # Constraint # added constraint: constraint((T0325)F13.CB, (T0325)S34.CB) [> 3.6897 = 6.1494 < 7.9943] w=0.0231 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)L75.CB) [> 4.5972 = 7.6621 < 9.9607] w=0.0231 to align # Constraint # added constraint: constraint((T0325)L144.CB, (T0325)I210.CB) [> 3.1935 = 5.3226 < 6.9193] w=0.0228 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)T65.CB) [> 4.0340 = 6.7234 < 8.7404] w=0.0222 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)T65.CB) [> 4.6266 = 7.7110 < 10.0243] w=0.0222 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)T67.CB) [> 3.0666 = 5.1110 < 6.6442] w=0.0222 to align # Constraint # added constraint: constraint((T0325)F13.CB, (T0325)A215.CB) [> 4.5240 = 7.5399 < 9.8019] w=0.0222 to align # Constraint # added constraint: constraint((T0325)F13.CB, (T0325)I217.CB) [> 3.7671 = 6.2784 < 8.1620] w=0.0222 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)N211.CB) [> 4.6285 = 7.7141 < 10.0284] w=0.0222 to align # Constraint # added constraint: constraint((T0325)A47.CB, (T0325)C212.CB) [> 3.8750 = 6.4584 < 8.3959] w=0.0222 to align # Constraint # added constraint: constraint((T0325)A47.CB, (T0325)H213.CB) [> 4.3813 = 7.3021 < 9.4927] w=0.0222 to align # Constraint # added constraint: constraint((T0325)A47.CB, (T0325)P214.CB) [> 4.0872 = 6.8120 < 8.8556] w=0.0222 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)E209.CB) [> 4.2825 = 7.1375 < 9.2788] w=0.0222 to align # Constraint # added constraint: constraint((T0325)A47.CB, (T0325)L64.CB) [> 4.1111 = 6.8519 < 8.9075] w=0.0205 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)N156.CB) [> 3.9419 = 6.5699 < 8.5408] w=0.0205 to align # Constraint # added constraint: constraint((T0325)L66.CB, (T0325)N156.CB) [> 3.3036 = 5.5060 < 7.1578] w=0.0205 to align # Constraint # added constraint: constraint((T0325)L66.CB, (T0325)L144.CB) [> 4.6083 = 7.6805 < 9.9846] w=0.0205 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)C212.CB) [> 4.2239 = 7.0398 < 9.1517] w=0.0205 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)A215.CB) [> 3.0619 = 5.1032 < 6.6341] w=0.0205 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)P214.CB) [> 4.2800 = 7.1334 < 9.2734] w=0.0205 to align # Constraint # added constraint: constraint((T0325)V105.CB, (T0325)K149.CB) [> 4.1369 = 6.8948 < 8.9633] w=0.0202 to align # Constraint # added constraint: constraint((T0325)H63.CB, (T0325)I210.CB) [> 4.5618 = 7.6030 < 9.8839] w=0.0200 to align # Constraint # added constraint: constraint((T0325)I126.CB, (T0325)C212.CB) [> 4.3004 = 7.1673 < 9.3175] w=0.0198 to align # Constraint # added constraint: constraint((T0325)A47.CB, (T0325)E209.CB) [> 3.2124 = 5.3541 < 6.9603] w=0.0198 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)P214.CB) [> 2.9447 = 4.9078 < 6.3801] w=0.0198 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)P214.CB) [> 3.8615 = 6.4359 < 8.3667] w=0.0198 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)A215.CB) [> 4.2075 = 7.0124 < 9.1162] w=0.0198 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)C212.CB) [> 3.6297 = 6.0495 < 7.8643] w=0.0198 to align # Constraint # added constraint: constraint((T0325)T33.CB, (T0325)C212.CB) [> 4.3517 = 7.2529 < 9.4288] w=0.0198 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)I193.CB) [> 4.5528 = 7.5880 < 9.8644] w=0.0198 to align # Constraint # added constraint: constraint((T0325)H63.CB, (T0325)E108.CB) [> 3.6340 = 6.0567 < 7.8738] w=0.0196 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)E108.CB) [> 3.4443 = 5.7405 < 7.4626] w=0.0196 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)V105.CB) [> 4.7530 = 7.9218 < 10.2983] w=0.0196 to align # Constraint # added constraint: constraint((T0325)D127.CB, (T0325)L196.CB) [> 3.8660 = 6.4434 < 8.3764] w=0.0195 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)L64.CB) [> 3.6448 = 6.0746 < 7.8970] w=0.0194 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)S128.CB) [> 4.2329 = 7.0549 < 9.1714] w=0.0194 to align # Constraint # added constraint: constraint((T0325)D12.CB, (T0325)S34.CB) [> 3.3314 = 5.5523 < 7.2180] w=0.0193 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)T33.CB) [> 4.5391 = 7.5651 < 9.8347] w=0.0193 to align # Constraint # added constraint: constraint((T0325)L144.CB, (T0325)C202.CB) [> 4.5537 = 7.5895 < 9.8664] w=0.0185 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)T67.CB) [> 4.3560 = 7.2601 < 9.4381] w=0.0178 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)C212.CB) [> 4.5895 = 7.6491 < 9.9439] w=0.0176 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)A215.CB) [> 3.5898 = 5.9831 < 7.7780] w=0.0176 to align # Constraint # added constraint: constraint((T0325)T65.CB, (T0325)A215.CB) [> 4.1106 = 6.8510 < 8.9063] w=0.0176 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)P214.CB) [> 3.9587 = 6.5979 < 8.5772] w=0.0176 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)A215.CB) [> 2.4746 = 4.1243 < 5.3616] w=0.0176 to align # Constraint # added constraint: constraint((T0325)P73.CB, (T0325)P214.CB) [> 3.9125 = 6.5209 < 8.4772] w=0.0174 to align # Constraint # added constraint: constraint((T0325)A59.CB, (T0325)D127.CB) [> 3.5931 = 5.9885 < 7.7851] w=0.0170 to align # Constraint # added constraint: constraint((T0325)Q21.CB, (T0325)E108.CB) [> 4.7015 = 7.8359 < 10.1866] w=0.0169 to align # Constraint # added constraint: constraint((T0325)V62.CB, (T0325)A215.CB) [> 4.3663 = 7.2772 < 9.4604] w=0.0169 to align # Constraint # added constraint: constraint((T0325)A47.CB, (T0325)A215.CB) [> 4.0650 = 6.7751 < 8.8076] w=0.0169 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)N211.CB) [> 2.7066 = 4.5110 < 5.8643] w=0.0148 to align # Constraint # added constraint: constraint((T0325)V62.CB, (T0325)L75.CB) [> 3.5336 = 5.8893 < 7.6561] w=0.0121 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)S128.CB) [> 2.5453 = 4.2421 < 5.5148] w=0.0121 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)I126.CB) [> 4.2317 = 7.0528 < 9.1686] w=0.0121 to align # Constraint # added constraint: constraint((T0325)L144.CB, (T0325)E209.CB) [> 4.2696 = 7.1160 < 9.2508] w=0.0121 to align # Constraint # added constraint: constraint((T0325)V105.CB, (T0325)L196.CB) [> 3.9368 = 6.5614 < 8.5298] w=0.0120 to align # Constraint # added constraint: constraint((T0325)I126.CB, (T0325)L196.CB) [> 4.7758 = 7.9597 < 10.3477] w=0.0120 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)L196.CB) [> 3.3228 = 5.5380 < 7.1994] w=0.0119 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)I193.CB) [> 4.0645 = 6.7742 < 8.8064] w=0.0119 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)E209.CB) [> 4.0823 = 6.8039 < 8.8450] w=0.0119 to align # Constraint # added constraint: constraint((T0325)T36.CB, (T0325)P73.CB) [> 4.6120 = 7.6867 < 9.9927] w=0.0119 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)E209.CB) [> 3.3910 = 5.6517 < 7.3472] w=0.0119 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)L169.CB) [> 3.5285 = 5.8809 < 7.6452] w=0.0119 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)R159.CB) [> 4.5332 = 7.5553 < 9.8219] w=0.0119 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)R159.CB) [> 3.5146 = 5.8576 < 7.6149] w=0.0119 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)I193.CB) [> 4.5645 = 7.6075 < 9.8897] w=0.0119 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)L196.CB) [> 2.7362 = 4.5603 < 5.9284] w=0.0119 to align # Constraint # added constraint: constraint((T0325)T33.CB, (T0325)P73.CB) [> 4.3195 = 7.1992 < 9.3590] w=0.0119 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)P73.CB) [> 4.4620 = 7.4366 < 9.6676] w=0.0119 to align # Constraint # added constraint: constraint((T0325)V62.CB, (T0325)L144.CB) [> 2.8039 = 4.6732 < 6.0752] w=0.0119 to align # Constraint # added constraint: constraint((T0325)H63.CB, (T0325)R159.CB) [> 4.0343 = 6.7238 < 8.7410] w=0.0119 to align # Constraint # added constraint: constraint((T0325)T65.CB, (T0325)R159.CB) [> 4.0146 = 6.6910 < 8.6983] w=0.0119 to align # Constraint # added constraint: constraint((T0325)L66.CB, (T0325)R159.CB) [> 3.7590 = 6.2649 < 8.1444] w=0.0119 to align # Constraint # added constraint: constraint((T0325)A47.CB, (T0325)H63.CB) [> 3.8057 = 6.3429 < 8.2458] w=0.0119 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)E108.CB) [> 4.7590 = 7.9317 < 10.3112] w=0.0117 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)L75.CB) [> 3.1719 = 5.2865 < 6.8725] w=0.0117 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)L75.CB) [> 3.9102 = 6.5171 < 8.4722] w=0.0117 to align # Constraint # added constraint: constraint((T0325)I126.CB, (T0325)H213.CB) [> 4.0607 = 6.7678 < 8.7981] w=0.0116 to align # Constraint # added constraint: constraint((T0325)D127.CB, (T0325)P214.CB) [> 3.8419 = 6.4032 < 8.3241] w=0.0116 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)H213.CB) [> 4.3050 = 7.1750 < 9.3275] w=0.0116 to align # Constraint # added constraint: constraint((T0325)S128.CB, (T0325)A215.CB) [> 4.2441 = 7.0734 < 9.1954] w=0.0116 to align # Constraint # added constraint: constraint((T0325)T40.CB, (T0325)D127.CB) [> 3.4540 = 5.7566 < 7.4837] w=0.0116 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)D127.CB) [> 3.9178 = 6.5296 < 8.4885] w=0.0116 to align # Constraint # added constraint: constraint((T0325)L66.CB, (T0325)E209.CB) [> 3.6897 = 6.1496 < 7.9945] w=0.0113 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)A215.CB) [> 2.3696 = 3.9494 < 5.1342] w=0.0112 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)N156.CB) [> 3.2472 = 5.4119 < 7.0355] w=0.0112 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)A215.CB) [> 2.3261 = 3.8769 < 5.0400] w=0.0112 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)P214.CB) [> 4.3185 = 7.1975 < 9.3568] w=0.0112 to align # Constraint # added constraint: constraint((T0325)I7.CB, (T0325)H213.CB) [> 3.7819 = 6.3032 < 8.1941] w=0.0112 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)N156.CB) [> 4.6344 = 7.7240 < 10.0412] w=0.0112 to align # Constraint # added constraint: constraint((T0325)L6.CB, (T0325)H63.CB) [> 4.4101 = 7.3501 < 9.5551] w=0.0112 to align # Constraint # added constraint: constraint((T0325)V62.CB, (T0325)V105.CB) [> 4.1378 = 6.8963 < 8.9652] w=0.0111 to align # Constraint # added constraint: constraint((T0325)D127.CB, (T0325)C202.CB) [> 4.1023 = 6.8371 < 8.8883] w=0.0101 to align # Constraint # added constraint: constraint((T0325)P73.CB, (T0325)R159.CB) [> 3.1920 = 5.3199 < 6.9159] w=0.0099 to align # Constraint # added constraint: constraint((T0325)A47.CB, (T0325)I210.CB) [> 3.2632 = 5.4386 < 7.0702] w=0.0099 to align # Constraint # added constraint: constraint((T0325)T67.CB, (T0325)H213.CB) [> 4.7748 = 7.9580 < 10.3453] w=0.0099 to align # Constraint # added constraint: constraint((T0325)T33.CB, (T0325)H213.CB) [> 4.4117 = 7.3528 < 9.5586] w=0.0099 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)H213.CB) [> 4.6285 = 7.7141 < 10.0284] w=0.0099 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)C212.CB) [> 4.2183 = 7.0305 < 9.1397] w=0.0099 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)H213.CB) [> 3.8668 = 6.4446 < 8.3780] w=0.0099 to align # Constraint # added constraint: constraint((T0325)L38.CB, (T0325)A215.CB) [> 3.8093 = 6.3489 < 8.2535] w=0.0099 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)H213.CB) [> 2.5130 = 4.1883 < 5.4448] w=0.0099 to align # Constraint # added constraint: constraint((T0325)P39.CB, (T0325)A215.CB) [> 3.3191 = 5.5319 < 7.1915] w=0.0099 to align # Constraint # added constraint: constraint((T0325)A47.CB, (T0325)D127.CB) [> 2.8751 = 4.7919 < 6.2294] w=0.0098 to align # Constraint # added constraint: constraint((T0325)A47.CB, (T0325)S128.CB) [> 3.6616 = 6.1026 < 7.9334] w=0.0098 to align # Constraint # added constraint: constraint((T0325)A47.CB, (T0325)N156.CB) [> 4.4055 = 7.3424 < 9.5452] w=0.0098 to align # Constraint # added constraint: constraint((T0325)M1.CB, (T0325)V31.CB) [> 3.6892 = 6.1487 < 7.9933] w=0.0098 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)I126.CB) [> 3.9423 = 6.5706 < 8.5418] w=0.0098 to align # Constraint # added constraint: constraint((T0325)S34.CB, (T0325)D127.CB) [> 3.2533 = 5.4222 < 7.0489] w=0.0098 to align # Constraint # added constraint: constraint((T0325)T33.CB, (T0325)D127.CB) [> 3.0605 = 5.1007 < 6.6310] w=0.0096 to align # Constraint # added constraint: constraint((T0325)F13.CB, (T0325)L75.CB) [> 4.0178 = 6.6963 < 8.7051] w=0.0094 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)H213.CB) [> 3.1646 = 5.2743 < 6.8566] w=0.0092 to align # Constraint # added constraint: constraint((T0325)A59.CB, (T0325)E209.CB) [> 4.6600 = 7.7667 < 10.0967] w=0.0092 to align # Constraint # added constraint: constraint((T0325)T33.CB, (T0325)A47.CB) [> 4.5300 = 7.5499 < 9.8149] w=0.0085 to align # Constraint # added constraint: constraint((T0325)I60.CB, (T0325)P73.CB) [> 4.4841 = 7.4735 < 9.7155] w=0.0083 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)T40.CB) [> 3.8890 = 6.4817 < 8.4263] w=0.0082 to align # Constraint # added constraint: constraint((T0325)P73.CB, (T0325)H213.CB) [> 3.2837 = 5.4729 < 7.1148] w=0.0082 to align # Constraint # added constraint: constraint((T0325)P73.CB, (T0325)A215.CB) [> 2.5468 = 4.2447 < 5.5181] w=0.0082 to align # Constraint # added constraint: constraint((T0325)I8.CB, (T0325)L64.CB) [> 4.3702 = 7.2837 < 9.4688] w=0.0082 to align # Constraint # added constraint: constraint((T0325)F13.CB, (T0325)L64.CB) [> 4.6080 = 7.6800 < 9.9840] w=0.0082 to align # Constraint # added constraint: constraint((T0325)F13.CB, (T0325)T65.CB) [> 4.1768 = 6.9614 < 9.0498] w=0.0082 to align # Constraint # added constraint: constraint((T0325)L75.CB, (T0325)P214.CB) [> 4.3611 = 7.2684 < 9.4490] w=0.0082 to align # Constraint # added constraint: constraint((T0325)D127.CB, (T0325)I193.CB) [> 4.6072 = 7.6786 < 9.9822] w=0.0082 to align # Constraint # added constraint: constraint((T0325)N9.CB, (T0325)P73.CB) [> 3.4151 = 5.6918 < 7.3993] w=0.0075 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)P73.CB) [> 4.1144 = 6.8574 < 8.9146] w=0.0075 to align # Constraint # added constraint: constraint((T0325)A37.CB, (T0325)E108.CB) [> 4.6966 = 7.8277 < 10.1760] w=0.0075 to align # Constraint # added constraint: constraint((T0325)L196.CB, (T0325)H213.CB) [> 4.6314 = 7.7189 < 10.0346] w=0.0057 to align # Constraint # added constraint: constraint((T0325)L196.CB, (T0325)P214.CB) [> 4.1675 = 6.9458 < 9.0295] w=0.0057 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)N156.CB) [> 4.5766 = 7.6276 < 9.9159] w=0.0056 to align # Constraint # added constraint: constraint((T0325)A10.CB, (T0325)I210.CB) [> 4.4693 = 7.4489 < 9.6836] w=0.0056 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0325/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0325/decoys/ # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # ReadConformPDB reading from PDB file servers/ABIpro_TS2.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # ReadConformPDB reading from PDB file servers/ABIpro_TS4.pdb.gz looking for model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # ReadConformPDB reading from PDB file servers/ABIpro_TS5.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS2 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS3 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS4 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 178 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 238 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # ReadConformPDB reading from PDB file servers/Distill_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # ReadConformPDB reading from PDB file servers/Distill_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # ReadConformPDB reading from PDB file servers/Distill_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # ReadConformPDB reading from PDB file servers/Distill_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 258 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 260 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # Found a chain break before 261 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 228 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 Skipped atom 149, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 150, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 151, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 152, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 545, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 546, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 547, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 548, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 233 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 260 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 182 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 261 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 227 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 258 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 258 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 261 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 238 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 187 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 259 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 259 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # ReadConformPDB reading from PDB file servers/MetaTasser_TS2.pdb.gz looking for model 1 # Found a chain break before 260 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 261 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 261 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 258 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 232 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 232 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 238 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 237 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # Found a chain break before 211 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 238 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 228 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 225 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 261 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 258 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 258 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # Found a chain break before 229 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 187 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 Faking rotamer for incomplete or colinear backbone at (T0325)N107 Faking rotamer for incomplete or colinear backbone at (T0325)N107 # Found a chain break before 258 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 238 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 239 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 237 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 211 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0325)N9.CA and (T0325)N9.CB only 0.000 apart, marking (T0325)N9.CB as missing WARNING: atoms too close: (T0325)V19.CA and (T0325)V19.CB only 0.000 apart, marking (T0325)V19.CB as missing WARNING: atoms too close: (T0325)E25.CA and (T0325)E25.CB only 0.000 apart, marking (T0325)E25.CB as missing WARNING: atoms too close: (T0325)T40.CA and (T0325)T40.CB only 0.000 apart, marking (T0325)T40.CB as missing WARNING: atoms too close: (T0325)Y43.CA and (T0325)Y43.CB only 0.000 apart, marking (T0325)Y43.CB as missing WARNING: atoms too close: (T0325)P73.CA and (T0325)P73.CB only 0.000 apart, marking (T0325)P73.CB as missing WARNING: atoms too close: (T0325)R77.CA and (T0325)R77.CB only 0.000 apart, marking (T0325)R77.CB as missing WARNING: atoms too close: (T0325)V80.CA and (T0325)V80.CB only 0.000 apart, marking (T0325)V80.CB as missing WARNING: atoms too close: (T0325)D85.CA and (T0325)D85.CB only 0.000 apart, marking (T0325)D85.CB as missing WARNING: atoms too close: (T0325)A87.CA and (T0325)A87.CB only 0.000 apart, marking (T0325)A87.CB as missing WARNING: atoms too close: (T0325)F90.CA and (T0325)F90.CB only 0.000 apart, marking (T0325)F90.CB as missing WARNING: atoms too close: (T0325)S94.CA and (T0325)S94.CB only 0.000 apart, marking (T0325)S94.CB as missing WARNING: atoms too close: (T0325)E97.CA and (T0325)E97.CB only 0.000 apart, marking (T0325)E97.CB as missing WARNING: atoms too close: (T0325)E103.CA and (T0325)E103.CB only 0.000 apart, marking (T0325)E103.CB as missing WARNING: atoms too close: (T0325)E108.CA and (T0325)E108.CB only 0.000 apart, marking (T0325)E108.CB as missing WARNING: atoms too close: (T0325)I114.CA and (T0325)I114.CB only 0.000 apart, marking (T0325)I114.CB as missing WARNING: atoms too close: (T0325)D124.CA and (T0325)D124.CB only 0.000 apart, marking (T0325)D124.CB as missing WARNING: atoms too close: (T0325)V132.CA and (T0325)V132.CB only 0.000 apart, marking (T0325)V132.CB as missing WARNING: atoms too close: (T0325)A147.CA and (T0325)A147.CB only 0.000 apart, marking (T0325)A147.CB as missing WARNING: atoms too close: (T0325)Y150.CA and (T0325)Y150.CB only 0.000 apart, marking (T0325)Y150.CB as missing WARNING: atoms too close: (T0325)S160.CA and (T0325)S160.CB only 0.000 apart, marking (T0325)S160.CB as missing WARNING: atoms too close: (T0325)T163.CA and (T0325)T163.CB only 0.000 apart, marking (T0325)T163.CB as missing WARNING: atoms too close: (T0325)Y166.CA and (T0325)Y166.CB only 0.000 apart, marking (T0325)Y166.CB as missing WARNING: atoms too close: (T0325)L169.CA and (T0325)L169.CB only 0.000 apart, marking (T0325)L169.CB as missing WARNING: atoms too close: (T0325)Q171.CA and (T0325)Q171.CB only 0.000 apart, marking (T0325)Q171.CB as missing WARNING: atoms too close: (T0325)K186.CA and (T0325)K186.CB only 0.000 apart, marking (T0325)K186.CB as missing WARNING: atoms too close: (T0325)T192.CA and (T0325)T192.CB only 0.000 apart, marking (T0325)T192.CB as missing WARNING: atoms too close: (T0325)I193.CA and (T0325)I193.CB only 0.000 apart, marking (T0325)I193.CB as missing WARNING: atoms too close: (T0325)M199.CA and (T0325)M199.CB only 0.000 apart, marking (T0325)M199.CB as missing WARNING: atoms too close: (T0325)E209.CA and (T0325)E209.CB only 0.000 apart, marking (T0325)E209.CB as missing WARNING: atoms too close: (T0325)C228.CA and (T0325)C228.CB only 0.000 apart, marking (T0325)C228.CB as missing WARNING: atoms too close: (T0325)E236.CA and (T0325)E236.CB only 0.000 apart, marking (T0325)E236.CB as missing WARNING: atoms too close: (T0325)S259.CA and (T0325)S259.CB only 0.000 apart, marking (T0325)S259.CB as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0325)K4.CA and (T0325)K4.CB only 0.000 apart, marking (T0325)K4.CB as missing WARNING: atoms too close: (T0325)Y15.CA and (T0325)Y15.CB only 0.000 apart, marking (T0325)Y15.CB as missing WARNING: atoms too close: (T0325)I23.CA and (T0325)I23.CB only 0.000 apart, marking (T0325)I23.CB as missing WARNING: atoms too close: (T0325)L38.CA and (T0325)L38.CB only 0.000 apart, marking (T0325)L38.CB as missing WARNING: atoms too close: (T0325)Y43.CA and (T0325)Y43.CB only 0.000 apart, marking (T0325)Y43.CB as missing WARNING: atoms too close: (T0325)A51.CA and (T0325)A51.CB only 0.000 apart, marking (T0325)A51.CB as missing WARNING: atoms too close: (T0325)R52.CA and (T0325)R52.CB only 0.000 apart, marking (T0325)R52.CB as missing WARNING: atoms too close: (T0325)A59.CA and (T0325)A59.CB only 0.000 apart, marking (T0325)A59.CB as missing WARNING: atoms too close: (T0325)I60.CA and (T0325)I60.CB only 0.000 apart, marking (T0325)I60.CB as missing WARNING: atoms too close: (T0325)P73.CA and (T0325)P73.CB only 0.000 apart, marking (T0325)P73.CB as missing WARNING: atoms too close: (T0325)E78.CA and (T0325)E78.CB only 0.000 apart, marking (T0325)E78.CB as missing WARNING: atoms too close: (T0325)V80.CA and (T0325)V80.CB only 0.000 apart, marking (T0325)V80.CB as missing WARNING: atoms too close: (T0325)P81.CA and (T0325)P81.CB only 0.000 apart, marking (T0325)P81.CB as missing WARNING: atoms too close: (T0325)D85.CA and (T0325)D85.CB only 0.000 apart, marking (T0325)D85.CB as missing WARNING: atoms too close: (T0325)Y89.CA and (T0325)Y89.CB only 0.000 apart, marking (T0325)Y89.CB as missing WARNING: atoms too close: (T0325)E97.CA and (T0325)E97.CB only 0.000 apart, marking (T0325)E97.CB as missing WARNING: atoms too close: (T0325)I114.CA and (T0325)I114.CB only 0.000 apart, marking (T0325)I114.CB as missing WARNING: atoms too close: (T0325)M117.CA and (T0325)M117.CB only 0.000 apart, marking (T0325)M117.CB as missing WARNING: atoms too close: (T0325)D124.CA and (T0325)D124.CB only 0.000 apart, marking (T0325)D124.CB as missing WARNING: atoms too close: (T0325)R148.CA and (T0325)R148.CB only 0.000 apart, marking (T0325)R148.CB as missing WARNING: atoms too close: (T0325)Y150.CA and (T0325)Y150.CB only 0.000 apart, marking (T0325)Y150.CB as missing WARNING: atoms too close: (T0325)L154.CA and (T0325)L154.CB only 0.000 apart, marking (T0325)L154.CB as missing WARNING: atoms too close: (T0325)R155.CA and (T0325)R155.CB only 0.000 apart, marking (T0325)R155.CB as missing WARNING: atoms too close: (T0325)S158.CA and (T0325)S158.CB only 0.000 apart, marking (T0325)S158.CB as missing WARNING: atoms too close: (T0325)K164.CA and (T0325)K164.CB only 0.000 apart, marking (T0325)K164.CB as missing WARNING: atoms too close: (T0325)V173.CA and (T0325)V173.CB only 0.000 apart, marking (T0325)V173.CB as missing WARNING: atoms too close: (T0325)Y184.CA and (T0325)Y184.CB only 0.000 apart, marking (T0325)Y184.CB as missing WARNING: atoms too close: (T0325)I193.CA and (T0325)I193.CB only 0.000 apart, marking (T0325)I193.CB as missing WARNING: atoms too close: (T0325)L194.CA and (T0325)L194.CB only 0.000 apart, marking (T0325)L194.CB as missing WARNING: atoms too close: (T0325)Q222.CA and (T0325)Q222.CB only 0.000 apart, marking (T0325)Q222.CB as missing WARNING: atoms too close: (T0325)C228.CA and (T0325)C228.CB only 0.000 apart, marking (T0325)C228.CB as missing WARNING: atoms too close: (T0325)E236.CA and (T0325)E236.CB only 0.000 apart, marking (T0325)E236.CB as missing WARNING: atoms too close: (T0325)Q241.CA and (T0325)Q241.CB only 0.000 apart, marking (T0325)Q241.CB as missing WARNING: atoms too close: (T0325)K244.CA and (T0325)K244.CB only 0.000 apart, marking (T0325)K244.CB as missing WARNING: atoms too close: (T0325)E249.CA and (T0325)E249.CB only 0.000 apart, marking (T0325)E249.CB as missing WARNING: atoms too close: (T0325)L253.CA and (T0325)L253.CB only 0.000 apart, marking (T0325)L253.CB as missing WARNING: atoms too close: (T0325)M262.CA and (T0325)M262.CB only 0.000 apart, marking (T0325)M262.CB as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0325)S2.CA and (T0325)S2.CB only 0.000 apart, marking (T0325)S2.CB as missing WARNING: atoms too close: (T0325)I7.CA and (T0325)I7.CB only 0.000 apart, marking (T0325)I7.CB as missing WARNING: atoms too close: (T0325)D11.CA and (T0325)D11.CB only 0.000 apart, marking (T0325)D11.CB as missing WARNING: atoms too close: (T0325)F13.CA and (T0325)F13.CB only 0.000 apart, marking (T0325)F13.CB as missing WARNING: atoms too close: (T0325)Q21.CA and (T0325)Q21.CB only 0.000 apart, marking (T0325)Q21.CB as missing WARNING: atoms too close: (T0325)L38.CA and (T0325)L38.CB only 0.000 apart, marking (T0325)L38.CB as missing WARNING: atoms too close: (T0325)T40.CA and (T0325)T40.CB only 0.000 apart, marking (T0325)T40.CB as missing WARNING: atoms too close: (T0325)S41.CA and (T0325)S41.CB only 0.000 apart, marking (T0325)S41.CB as missing WARNING: atoms too close: (T0325)P56.CA and (T0325)P56.CB only 0.000 apart, marking (T0325)P56.CB as missing WARNING: atoms too close: (T0325)T65.CA and (T0325)T65.CB only 0.000 apart, marking (T0325)T65.CB as missing WARNING: atoms too close: (T0325)S82.CA and (T0325)S82.CB only 0.000 apart, marking (T0325)S82.CB as missing WARNING: atoms too close: (T0325)V84.CA and (T0325)V84.CB only 0.000 apart, marking (T0325)V84.CB as missing WARNING: atoms too close: (T0325)F90.CA and (T0325)F90.CB only 0.000 apart, marking (T0325)F90.CB as missing WARNING: atoms too close: (T0325)V105.CA and (T0325)V105.CB only 0.000 apart, marking (T0325)V105.CB as missing WARNING: atoms too close: (T0325)I114.CA and (T0325)I114.CB only 0.000 apart, marking (T0325)I114.CB as missing WARNING: atoms too close: (T0325)H125.CA and (T0325)H125.CB only 0.000 apart, marking (T0325)H125.CB as missing WARNING: atoms too close: (T0325)D127.CA and (T0325)D127.CB only 0.000 apart, marking (T0325)D127.CB as missing WARNING: atoms too close: (T0325)K138.CA and (T0325)K138.CB only 0.000 apart, marking (T0325)K138.CB as missing WARNING: atoms too close: (T0325)A147.CA and (T0325)A147.CB only 0.000 apart, marking (T0325)A147.CB as missing WARNING: atoms too close: (T0325)K149.CA and (T0325)K149.CB only 0.000 apart, marking (T0325)K149.CB as missing WARNING: atoms too close: (T0325)Y150.CA and (T0325)Y150.CB only 0.000 apart, marking (T0325)Y150.CB as missing WARNING: atoms too close: (T0325)K164.CA and (T0325)K164.CB only 0.000 apart, marking (T0325)K164.CB as missing WARNING: atoms too close: (T0325)Q171.CA and (T0325)Q171.CB only 0.000 apart, marking (T0325)Q171.CB as missing WARNING: atoms too close: (T0325)K186.CA and (T0325)K186.CB only 0.000 apart, marking (T0325)K186.CB as missing WARNING: atoms too close: (T0325)I188.CA and (T0325)I188.CB only 0.000 apart, marking (T0325)I188.CB as missing WARNING: atoms too close: (T0325)T190.CA and (T0325)T190.CB only 0.000 apart, marking (T0325)T190.CB as missing WARNING: atoms too close: (T0325)L194.CA and (T0325)L194.CB only 0.000 apart, marking (T0325)L194.CB as missing WARNING: atoms too close: (T0325)L196.CA and (T0325)L196.CB only 0.000 apart, marking (T0325)L196.CB as missing WARNING: atoms too close: (T0325)I210.CA and (T0325)I210.CB only 0.000 apart, marking (T0325)I210.CB as missing WARNING: atoms too close: (T0325)R231.CA and (T0325)R231.CB only 0.000 apart, marking (T0325)R231.CB as missing WARNING: atoms too close: (T0325)L238.CA and (T0325)L238.CB only 0.000 apart, marking (T0325)L238.CB as missing WARNING: atoms too close: (T0325)R250.CA and (T0325)R250.CB only 0.000 apart, marking (T0325)R250.CB as missing WARNING: atoms too close: (T0325)L253.CA and (T0325)L253.CB only 0.000 apart, marking (T0325)L253.CB as missing WARNING: atoms too close: (T0325)A255.CA and (T0325)A255.CB only 0.000 apart, marking (T0325)A255.CB as missing WARNING: atoms too close: (T0325)S259.CA and (T0325)S259.CB only 0.000 apart, marking (T0325)S259.CB as missing WARNING: atoms too close: (T0325)M262.CA and (T0325)M262.CB only 0.000 apart, marking (T0325)M262.CB as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0325)M1.CA and (T0325)M1.CB only 0.000 apart, marking (T0325)M1.CB as missing WARNING: atoms too close: (T0325)K4.CA and (T0325)K4.CB only 0.000 apart, marking (T0325)K4.CB as missing WARNING: atoms too close: (T0325)I24.CA and (T0325)I24.CB only 0.000 apart, marking (T0325)I24.CB as missing WARNING: atoms too close: (T0325)Y43.CA and (T0325)Y43.CB only 0.000 apart, marking (T0325)Y43.CB as missing WARNING: atoms too close: (T0325)R52.CA and (T0325)R52.CB only 0.000 apart, marking (T0325)R52.CB as missing WARNING: atoms too close: (T0325)P56.CA and (T0325)P56.CB only 0.000 apart, marking (T0325)P56.CB as missing WARNING: atoms too close: (T0325)L58.CA and (T0325)L58.CB only 0.000 apart, marking (T0325)L58.CB as missing WARNING: atoms too close: (T0325)A59.CA and (T0325)A59.CB only 0.000 apart, marking (T0325)A59.CB as missing WARNING: atoms too close: (T0325)I60.CA and (T0325)I60.CB only 0.000 apart, marking (T0325)I60.CB as missing WARNING: atoms too close: (T0325)T65.CA and (T0325)T65.CB only 0.000 apart, marking (T0325)T65.CB as missing WARNING: atoms too close: (T0325)R77.CA and (T0325)R77.CB only 0.000 apart, marking (T0325)R77.CB as missing WARNING: atoms too close: (T0325)E97.CA and (T0325)E97.CB only 0.000 apart, marking (T0325)E97.CB as missing WARNING: atoms too close: (T0325)N101.CA and (T0325)N101.CB only 0.000 apart, marking (T0325)N101.CB as missing WARNING: atoms too close: (T0325)I113.CA and (T0325)I113.CB only 0.000 apart, marking (T0325)I113.CB as missing WARNING: atoms too close: (T0325)F116.CA and (T0325)F116.CB only 0.000 apart, marking (T0325)F116.CB as missing WARNING: atoms too close: (T0325)M117.CA and (T0325)M117.CB only 0.000 apart, marking (T0325)M117.CB as missing WARNING: atoms too close: (T0325)R122.CA and (T0325)R122.CB only 0.000 apart, marking (T0325)R122.CB as missing WARNING: atoms too close: (T0325)D124.CA and (T0325)D124.CB only 0.000 apart, marking (T0325)D124.CB as missing WARNING: atoms too close: (T0325)H129.CA and (T0325)H129.CB only 0.000 apart, marking (T0325)H129.CB as missing WARNING: atoms too close: (T0325)A145.CA and (T0325)A145.CB only 0.000 apart, marking (T0325)A145.CB as missing WARNING: atoms too close: (T0325)L146.CA and (T0325)L146.CB only 0.000 apart, marking (T0325)L146.CB as missing WARNING: atoms too close: (T0325)K149.CA and (T0325)K149.CB only 0.000 apart, marking (T0325)K149.CB as missing WARNING: atoms too close: (T0325)Y150.CA and (T0325)Y150.CB only 0.000 apart, marking (T0325)Y150.CB as missing WARNING: atoms too close: (T0325)T163.CA and (T0325)T163.CB only 0.000 apart, marking (T0325)T163.CB as missing WARNING: atoms too close: (T0325)D177.CA and (T0325)D177.CB only 0.000 apart, marking (T0325)D177.CB as missing WARNING: atoms too close: (T0325)K186.CA and (T0325)K186.CB only 0.000 apart, marking (T0325)K186.CB as missing WARNING: atoms too close: (T0325)I193.CA and (T0325)I193.CB only 0.000 apart, marking (T0325)I193.CB as missing WARNING: atoms too close: (T0325)L197.CA and (T0325)L197.CB only 0.000 apart, marking (T0325)L197.CB as missing WARNING: atoms too close: (T0325)S203.CA and (T0325)S203.CB only 0.000 apart, marking (T0325)S203.CB as missing WARNING: atoms too close: (T0325)V207.CA and (T0325)V207.CB only 0.000 apart, marking (T0325)V207.CB as missing WARNING: atoms too close: (T0325)C212.CA and (T0325)C212.CB only 0.000 apart, marking (T0325)C212.CB as missing WARNING: atoms too close: (T0325)H213.CA and (T0325)H213.CB only 0.000 apart, marking (T0325)H213.CB as missing WARNING: atoms too close: (T0325)N223.CA and (T0325)N223.CB only 0.000 apart, marking (T0325)N223.CB as missing WARNING: atoms too close: (T0325)S225.CA and (T0325)S225.CB only 0.000 apart, marking (T0325)S225.CB as missing WARNING: atoms too close: (T0325)L238.CA and (T0325)L238.CB only 0.000 apart, marking (T0325)L238.CB as missing WARNING: atoms too close: (T0325)L253.CA and (T0325)L253.CB only 0.000 apart, marking (T0325)L253.CB as missing WARNING: atoms too close: (T0325)A255.CA and (T0325)A255.CB only 0.000 apart, marking (T0325)A255.CB as missing WARNING: atoms too close: (T0325)S259.CA and (T0325)S259.CB only 0.000 apart, marking (T0325)S259.CB as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0325)S2.CA and (T0325)S2.CB only 0.000 apart, marking (T0325)S2.CB as missing WARNING: atoms too close: (T0325)N9.CA and (T0325)N9.CB only 0.000 apart, marking (T0325)N9.CB as missing WARNING: atoms too close: (T0325)Q21.CA and (T0325)Q21.CB only 0.000 apart, marking (T0325)Q21.CB as missing WARNING: atoms too close: (T0325)I24.CA and (T0325)I24.CB only 0.000 apart, marking (T0325)I24.CB as missing WARNING: atoms too close: (T0325)M48.CA and (T0325)M48.CB only 0.000 apart, marking (T0325)M48.CB as missing WARNING: atoms too close: (T0325)A51.CA and (T0325)A51.CB only 0.000 apart, marking (T0325)A51.CB as missing WARNING: atoms too close: (T0325)A55.CA and (T0325)A55.CB only 0.000 apart, marking (T0325)A55.CB as missing WARNING: atoms too close: (T0325)L58.CA and (T0325)L58.CB only 0.000 apart, marking (T0325)L58.CB as missing WARNING: atoms too close: (T0325)I60.CA and (T0325)I60.CB only 0.000 apart, marking (T0325)I60.CB as missing WARNING: atoms too close: (T0325)L64.CA and (T0325)L64.CB only 0.000 apart, marking (T0325)L64.CB as missing WARNING: atoms too close: (T0325)Q70.CA and (T0325)Q70.CB only 0.000 apart, marking (T0325)Q70.CB as missing WARNING: atoms too close: (T0325)K72.CA and (T0325)K72.CB only 0.000 apart, marking (T0325)K72.CB as missing WARNING: atoms too close: (T0325)M79.CA and (T0325)M79.CB only 0.000 apart, marking (T0325)M79.CB as missing WARNING: atoms too close: (T0325)A87.CA and (T0325)A87.CB only 0.000 apart, marking (T0325)A87.CB as missing WARNING: atoms too close: (T0325)F90.CA and (T0325)F90.CB only 0.000 apart, marking (T0325)F90.CB as missing WARNING: atoms too close: (T0325)V100.CA and (T0325)V100.CB only 0.000 apart, marking (T0325)V100.CB as missing WARNING: atoms too close: (T0325)N101.CA and (T0325)N101.CB only 0.000 apart, marking (T0325)N101.CB as missing WARNING: atoms too close: (T0325)V105.CA and (T0325)V105.CB only 0.000 apart, marking (T0325)V105.CB as missing WARNING: atoms too close: (T0325)H125.CA and (T0325)H125.CB only 0.000 apart, marking (T0325)H125.CB as missing WARNING: atoms too close: (T0325)H130.CA and (T0325)H130.CB only 0.000 apart, marking (T0325)H130.CB as missing WARNING: atoms too close: (T0325)K149.CA and (T0325)K149.CB only 0.000 apart, marking (T0325)K149.CB as missing WARNING: atoms too close: (T0325)L152.CA and (T0325)L152.CB only 0.000 apart, marking (T0325)L152.CB as missing WARNING: atoms too close: (T0325)A157.CA and (T0325)A157.CB only 0.000 apart, marking (T0325)A157.CB as missing WARNING: atoms too close: (T0325)L169.CA and (T0325)L169.CB only 0.000 apart, marking (T0325)L169.CB as missing WARNING: atoms too close: (T0325)Q171.CA and (T0325)Q171.CB only 0.000 apart, marking (T0325)Q171.CB as missing WARNING: atoms too close: (T0325)T175.CA and (T0325)T175.CB only 0.000 apart, marking (T0325)T175.CB as missing WARNING: atoms too close: (T0325)L180.CA and (T0325)L180.CB only 0.000 apart, marking (T0325)L180.CB as missing WARNING: atoms too close: (T0325)Q182.CA and (T0325)Q182.CB only 0.000 apart, marking (T0325)Q182.CB as missing WARNING: atoms too close: (T0325)F183.CA and (T0325)F183.CB only 0.000 apart, marking (T0325)F183.CB as missing WARNING: atoms too close: (T0325)S189.CA and (T0325)S189.CB only 0.000 apart, marking (T0325)S189.CB as missing WARNING: atoms too close: (T0325)E206.CA and (T0325)E206.CB only 0.000 apart, marking (T0325)E206.CB as missing WARNING: atoms too close: (T0325)F208.CA and (T0325)F208.CB only 0.000 apart, marking (T0325)F208.CB as missing WARNING: atoms too close: (T0325)H213.CA and (T0325)H213.CB only 0.000 apart, marking (T0325)H213.CB as missing WARNING: atoms too close: (T0325)I232.CA and (T0325)I232.CB only 0.000 apart, marking (T0325)I232.CB as missing WARNING: atoms too close: (T0325)E236.CA and (T0325)E236.CB only 0.000 apart, marking (T0325)E236.CB as missing WARNING: atoms too close: (T0325)K244.CA and (T0325)K244.CB only 0.000 apart, marking (T0325)K244.CB as missing WARNING: atoms too close: (T0325)A246.CA and (T0325)A246.CB only 0.000 apart, marking (T0325)A246.CB as missing WARNING: atoms too close: (T0325)R250.CA and (T0325)R250.CB only 0.000 apart, marking (T0325)R250.CB as missing WARNING: atoms too close: (T0325)A255.CA and (T0325)A255.CB only 0.000 apart, marking (T0325)A255.CB as missing WARNING: atoms too close: (T0325)M262.CA and (T0325)M262.CB only 0.000 apart, marking (T0325)M262.CB as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 Skipped atom 2, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 4, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 6, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 8, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 10, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 12, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 14, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 16, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 18, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 20, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 22, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 24, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 122, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 124, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 126, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 128, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 170, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 172, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 174, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 176, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 192, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 250, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 252, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 254, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 258, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 278, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 280, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 282, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 284, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 286, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 288, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 290, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 292, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 228 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 260 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 260 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0325)A157.CA and (T0325)D177.CA only 0.000 apart, marking (T0325)D177.CA as missing WARNING: atoms too close: (T0325)S158.CA and (T0325)E178.CA only 0.000 apart, marking (T0325)E178.CA as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 Skipped atom 13, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 14, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 15, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 16, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 25, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 27, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 157, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 158, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 159, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 160, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 165, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 166, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 167, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 168, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 193, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 207, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 311, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 313, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 327, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 328, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 329, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 330, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 383, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 385, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 Skipped atom 57, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 170, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 255, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 313, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 419, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 420, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 465, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 526, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 675, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 688, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 705, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 Skipped atom 139, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 152, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 221, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 311, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS2.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 226 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 260 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # Found a chain break before 261 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0325)N9.O and (T0325)A10.N only 0.000 apart, marking (T0325)A10.N as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0325)S2.O and (T0325)N3.N only 0.000 apart, marking (T0325)N3.N as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 259 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0325)A87.O and (T0325)G88.N only 0.000 apart, marking (T0325)G88.N as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0325)T33.O and (T0325)S34.N only 0.000 apart, marking (T0325)S34.N as missing WARNING: atoms too close: (T0325)A87.O and (T0325)G88.N only 0.000 apart, marking (T0325)G88.N as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 259 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 232 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 232 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 260 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 WARNING: atom 903 has residue number 1 < previous residue 262 in servers/mGen-3D_TS1.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 WARNING: atom 1 has residue number 32 < previous residue 262 in servers/nFOLD_TS3.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation shub_TS1 # command:Using radius: 8.0000 Using models AND alignments for constraints model score 1.8665 model score 1.8783 model score 1.8751 model score 1.8701 model score 1.8752 model score 1.3634 model score 1.4381 model score 1.3865 model score 1.7220 model score 1.4010 model score 1.7857 model score 1.1271 model score 1.7646 model score 1.0341 model score 2.0294 model score 2.2270 model score 1.9871 model score 1.8717 model score 1.4602 model score 1.7150 model score 1.7979 model score 1.7041 model score 1.7353 model score 0.6218 model score 2.0329 model score 1.7781 model score 1.8759 model score 1.5561 model score 2.1705 model score 0.6240 model score 0.5813 model score 0.5717 model score 0.6391 model score 0.5642 model score 1.1998 model score 1.1771 model score 1.5708 model score 1.7319 model score 1.3738 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.5740 model score 0.5595 model score 0.8644 model score 0.6480 model score 0.6027 model score 0.5727 model score 0.5717 model score 0.5642 model score 0.5813 model score 0.6391 model score 1.0363 model score 2.2644 model score 1.8559 model score 1.4776 model score 2.2430 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 2.4970 model score 2.4293 model score 2.3221 model score 2.4951 model score 2.3565 model score 1.4463 model score 2.2294 model score 1.9986 model score 1.5691 model score 1.2386 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.6239 model score 0.7493 model score 1.5376 model score 1.3776 model score 1.5707 model score 0.8072 model score 1.2350 model score 0.7164 model score 0.7282 model score 0.7131 model score 0.7475 model score 0.6495 model score 0.6860 model score 1.4838 model score 1.2395 model score 0.9093 model score 1.3299 model score 1.3746 model score 1.4407 model score 1.4745 model score 1.6705 model score 1.0101 model score 1.4068 model score 1.5305 model score 2.0793 model score 1.3884 model score 1.6935 model score 2.1178 model score 2.3332 model score 1.3884 model score 1.6064 model score 1.4493 model score 1.5283 model score 0.2583 model score 0.2723 model score 0.3800 model score 0.2407 model score 0.2523 model score 1.4407 model score 2.2751 model score 2.2180 model score 1.9477 model score 2.0915 model score 1.9916 model score 1.0959 model score 1.0674 model score 1.0845 model score 1.0734 model score 1.0516 model score 0.7160 model score 0.8267 model score 0.6135 model score 1.4312 model score 1.0850 model score 0.7290 model score 1.0974 model score 1.1208 model score 0.9242 model score 1.1298 model score 0.6060 model score 0.8656 model score 0.8980 model score 0.8707 model score 1.1516 model score 1.3513 model score 0.5849 model score 0.6099 model score 0.6179 model score 0.6112 model score 0.7312 model score 0.6153 model score 1.0477 model score 1.1541 model score 1.1048 model score 0.6768 model score 1.1734 model score 1.5049 model score 0.7034 model score 0.9643 model score 0.6615 model score 1.1513 model score 0.6731 model score 0.9596 model score 0.6675 model score 0.8922 model score 0.7312 model score 0.7052 model score 0.6179 model score 0.6112 model score 0.7245 model score 2.1866 model score 2.0616 model score 1.8237 model score 1.7592 model score 1.9306 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.4841 model score 0.3665 model score 0.8665 model score 0.5066 model score 0.4835 model score 0.6153 model score 1.0477 model score 1.6365 model score 1.2302 model score 1.0929 model score 0.5949 model score 1.0146 model score 0.5761 model score 1.3796 model score 1.2999 model score 0.6199 model score 0.6704 model score 1.0507 model score 1.2894 model score 1.8941 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.4971 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.3562 model score 0.4031 model score 0.3248 model score 0.3464 model score 0.3425 model score 0.5195 model score 0.5928 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.5080 model score 1.5099 model score 2.1700 model score 1.5353 model score 2.1963 model score 2.1626 model score 2.2729 model score 2.4352 model score 2.4916 model score 2.3178 model score 1.5856 model score 1.0765 model score 1.1015 model score 1.8840 model score 1.0351 model score 1.1381 model score 1.1364 model score 0.7301 model score 1.1108 model score 0.8123 model score 0.6499 model score 1.8450 model score 1.4302 model score 1.5074 model score 1.3310 model score 1.2000 model score 1.6139 model score 0.8679 USE_META, weight: 0.3515 cost: 1.8665 min: 0.2407 max: 2.4970 USE_META, weight: 0.3468 cost: 1.8783 min: 0.2407 max: 2.4970 USE_META, weight: 0.3481 cost: 1.8751 min: 0.2407 max: 2.4970 USE_META, weight: 0.3500 cost: 1.8701 min: 0.2407 max: 2.4970 USE_META, weight: 0.3480 cost: 1.8752 min: 0.2407 max: 2.4970 USE_META, weight: 0.5522 cost: 1.3634 min: 0.2407 max: 2.4970 USE_META, weight: 0.5224 cost: 1.4381 min: 0.2407 max: 2.4970 USE_META, weight: 0.5430 cost: 1.3865 min: 0.2407 max: 2.4970 USE_META, weight: 0.4091 cost: 1.7220 min: 0.2407 max: 2.4970 USE_META, weight: 0.5372 cost: 1.4010 min: 0.2407 max: 2.4970 USE_META, weight: 0.3837 cost: 1.7857 min: 0.2407 max: 2.4970 USE_META, weight: 0.6464 cost: 1.1271 min: 0.2407 max: 2.4970 USE_META, weight: 0.3921 cost: 1.7646 min: 0.2407 max: 2.4970 USE_META, weight: 0.6835 cost: 1.0341 min: 0.2407 max: 2.4970 USE_META, weight: 0.2865 cost: 2.0294 min: 0.2407 max: 2.4970 USE_META, weight: 0.2077 cost: 2.2270 min: 0.2407 max: 2.4970 USE_META, weight: 0.3034 cost: 1.9871 min: 0.2407 max: 2.4970 USE_META, weight: 0.3494 cost: 1.8717 min: 0.2407 max: 2.4970 USE_META, weight: 0.5136 cost: 1.4602 min: 0.2407 max: 2.4970 USE_META, weight: 0.4119 cost: 1.7150 min: 0.2407 max: 2.4970 USE_META, weight: 0.3789 cost: 1.7979 min: 0.2407 max: 2.4970 USE_META, weight: 0.4163 cost: 1.7041 min: 0.2407 max: 2.4970 USE_META, weight: 0.4038 cost: 1.7353 min: 0.2407 max: 2.4970 USE_META, weight: 0.8480 cost: 0.6218 min: 0.2407 max: 2.4970 USE_META, weight: 0.2851 cost: 2.0329 min: 0.2407 max: 2.4970 USE_META, weight: 0.3868 cost: 1.7781 min: 0.2407 max: 2.4970 USE_META, weight: 0.3478 cost: 1.8759 min: 0.2407 max: 2.4970 USE_META, weight: 0.4753 cost: 1.5561 min: 0.2407 max: 2.4970 USE_META, weight: 0.2302 cost: 2.1705 min: 0.2407 max: 2.4970 USE_META, weight: 0.8471 cost: 0.6240 min: 0.2407 max: 2.4970 USE_META, weight: 0.8641 cost: 0.5813 min: 0.2407 max: 2.4970 USE_META, weight: 0.8680 cost: 0.5717 min: 0.2407 max: 2.4970 USE_META, weight: 0.8411 cost: 0.6391 min: 0.2407 max: 2.4970 USE_META, weight: 0.8710 cost: 0.5642 min: 0.2407 max: 2.4970 USE_META, weight: 0.6174 cost: 1.1998 min: 0.2407 max: 2.4970 USE_META, weight: 0.6265 cost: 1.1771 min: 0.2407 max: 2.4970 USE_META, weight: 0.4694 cost: 1.5708 min: 0.2407 max: 2.4970 USE_META, weight: 0.4052 cost: 1.7319 min: 0.2407 max: 2.4970 USE_META, weight: 0.5480 cost: 1.3738 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.8671 cost: 0.5740 min: 0.2407 max: 2.4970 USE_META, weight: 0.8728 cost: 0.5595 min: 0.2407 max: 2.4970 USE_META, weight: 0.7512 cost: 0.8644 min: 0.2407 max: 2.4970 USE_META, weight: 0.8375 cost: 0.6480 min: 0.2407 max: 2.4970 USE_META, weight: 0.8556 cost: 0.6027 min: 0.2407 max: 2.4970 USE_META, weight: 0.8676 cost: 0.5727 min: 0.2407 max: 2.4970 USE_META, weight: 0.8680 cost: 0.5717 min: 0.2407 max: 2.4970 USE_META, weight: 0.8710 cost: 0.5642 min: 0.2407 max: 2.4970 USE_META, weight: 0.8641 cost: 0.5813 min: 0.2407 max: 2.4970 USE_META, weight: 0.8411 cost: 0.6391 min: 0.2407 max: 2.4970 USE_META, weight: 0.6826 cost: 1.0363 min: 0.2407 max: 2.4970 USE_META, weight: 0.1928 cost: 2.2644 min: 0.2407 max: 2.4970 USE_META, weight: 0.3557 cost: 1.8559 min: 0.2407 max: 2.4970 USE_META, weight: 0.5066 cost: 1.4776 min: 0.2407 max: 2.4970 USE_META, weight: 0.2013 cost: 2.2430 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.1000 cost: 2.4970 min: 0.2407 max: 2.4970 USE_META, weight: 0.1270 cost: 2.4293 min: 0.2407 max: 2.4970 USE_META, weight: 0.1698 cost: 2.3221 min: 0.2407 max: 2.4970 USE_META, weight: 0.1008 cost: 2.4951 min: 0.2407 max: 2.4970 USE_META, weight: 0.1561 cost: 2.3565 min: 0.2407 max: 2.4970 USE_META, weight: 0.5191 cost: 1.4463 min: 0.2407 max: 2.4970 USE_META, weight: 0.2067 cost: 2.2294 min: 0.2407 max: 2.4970 USE_META, weight: 0.2988 cost: 1.9986 min: 0.2407 max: 2.4970 USE_META, weight: 0.4701 cost: 1.5691 min: 0.2407 max: 2.4970 USE_META, weight: 0.6019 cost: 1.2386 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.8471 cost: 0.6239 min: 0.2407 max: 2.4970 USE_META, weight: 0.7971 cost: 0.7493 min: 0.2407 max: 2.4970 USE_META, weight: 0.4827 cost: 1.5376 min: 0.2407 max: 2.4970 USE_META, weight: 0.5465 cost: 1.3776 min: 0.2407 max: 2.4970 USE_META, weight: 0.4695 cost: 1.5707 min: 0.2407 max: 2.4970 USE_META, weight: 0.7740 cost: 0.8072 min: 0.2407 max: 2.4970 USE_META, weight: 0.6034 cost: 1.2350 min: 0.2407 max: 2.4970 USE_META, weight: 0.8103 cost: 0.7164 min: 0.2407 max: 2.4970 USE_META, weight: 0.8056 cost: 0.7282 min: 0.2407 max: 2.4970 USE_META, weight: 0.8116 cost: 0.7131 min: 0.2407 max: 2.4970 USE_META, weight: 0.7979 cost: 0.7475 min: 0.2407 max: 2.4970 USE_META, weight: 0.8370 cost: 0.6495 min: 0.2407 max: 2.4970 USE_META, weight: 0.8224 cost: 0.6860 min: 0.2407 max: 2.4970 USE_META, weight: 0.5041 cost: 1.4838 min: 0.2407 max: 2.4970 USE_META, weight: 0.6016 cost: 1.2395 min: 0.2407 max: 2.4970 USE_META, weight: 0.7333 cost: 0.9093 min: 0.2407 max: 2.4970 USE_META, weight: 0.5655 cost: 1.3299 min: 0.2407 max: 2.4970 USE_META, weight: 0.5477 cost: 1.3746 min: 0.2407 max: 2.4970 USE_META, weight: 0.5214 cost: 1.4407 min: 0.2407 max: 2.4970 USE_META, weight: 0.5079 cost: 1.4745 min: 0.2407 max: 2.4970 USE_META, weight: 0.4297 cost: 1.6705 min: 0.2407 max: 2.4970 USE_META, weight: 0.6931 cost: 1.0101 min: 0.2407 max: 2.4970 USE_META, weight: 0.5349 cost: 1.4068 min: 0.2407 max: 2.4970 USE_META, weight: 0.4855 cost: 1.5305 min: 0.2407 max: 2.4970 USE_META, weight: 0.2666 cost: 2.0793 min: 0.2407 max: 2.4970 USE_META, weight: 0.5422 cost: 1.3884 min: 0.2407 max: 2.4970 USE_META, weight: 0.4205 cost: 1.6935 min: 0.2407 max: 2.4970 USE_META, weight: 0.2513 cost: 2.1178 min: 0.2407 max: 2.4970 USE_META, weight: 0.1654 cost: 2.3332 min: 0.2407 max: 2.4970 USE_META, weight: 0.5422 cost: 1.3884 min: 0.2407 max: 2.4970 USE_META, weight: 0.4553 cost: 1.6064 min: 0.2407 max: 2.4970 USE_META, weight: 0.5179 cost: 1.4493 min: 0.2407 max: 2.4970 USE_META, weight: 0.4864 cost: 1.5283 min: 0.2407 max: 2.4970 USE_META, weight: 0.9930 cost: 0.2583 min: 0.2407 max: 2.4970 USE_META, weight: 0.9874 cost: 0.2723 min: 0.2407 max: 2.4970 USE_META, weight: 0.9444 cost: 0.3800 min: 0.2407 max: 2.4970 USE_META, weight: 1.0000 cost: 0.2407 min: 0.2407 max: 2.4970 USE_META, weight: 0.9954 cost: 0.2523 min: 0.2407 max: 2.4970 USE_META, weight: 0.5214 cost: 1.4407 min: 0.2407 max: 2.4970 USE_META, weight: 0.1885 cost: 2.2751 min: 0.2407 max: 2.4970 USE_META, weight: 0.2113 cost: 2.2180 min: 0.2407 max: 2.4970 USE_META, weight: 0.3191 cost: 1.9477 min: 0.2407 max: 2.4970 USE_META, weight: 0.2618 cost: 2.0915 min: 0.2407 max: 2.4970 USE_META, weight: 0.3016 cost: 1.9916 min: 0.2407 max: 2.4970 USE_META, weight: 0.6589 cost: 1.0959 min: 0.2407 max: 2.4970 USE_META, weight: 0.6702 cost: 1.0674 min: 0.2407 max: 2.4970 USE_META, weight: 0.6634 cost: 1.0845 min: 0.2407 max: 2.4970 USE_META, weight: 0.6679 cost: 1.0734 min: 0.2407 max: 2.4970 USE_META, weight: 0.6765 cost: 1.0516 min: 0.2407 max: 2.4970 USE_META, weight: 0.8104 cost: 0.7160 min: 0.2407 max: 2.4970 USE_META, weight: 0.7663 cost: 0.8267 min: 0.2407 max: 2.4970 USE_META, weight: 0.8513 cost: 0.6135 min: 0.2407 max: 2.4970 USE_META, weight: 0.5251 cost: 1.4312 min: 0.2407 max: 2.4970 USE_META, weight: 0.6632 cost: 1.0850 min: 0.2407 max: 2.4970 USE_META, weight: 0.8053 cost: 0.7290 min: 0.2407 max: 2.4970 USE_META, weight: 0.6583 cost: 1.0974 min: 0.2407 max: 2.4970 USE_META, weight: 0.6490 cost: 1.1208 min: 0.2407 max: 2.4970 USE_META, weight: 0.7274 cost: 0.9242 min: 0.2407 max: 2.4970 USE_META, weight: 0.6454 cost: 1.1298 min: 0.2407 max: 2.4970 USE_META, weight: 0.8543 cost: 0.6060 min: 0.2407 max: 2.4970 USE_META, weight: 0.7507 cost: 0.8656 min: 0.2407 max: 2.4970 USE_META, weight: 0.7378 cost: 0.8980 min: 0.2407 max: 2.4970 USE_META, weight: 0.7487 cost: 0.8707 min: 0.2407 max: 2.4970 USE_META, weight: 0.6367 cost: 1.1516 min: 0.2407 max: 2.4970 USE_META, weight: 0.5570 cost: 1.3513 min: 0.2407 max: 2.4970 USE_META, weight: 0.8627 cost: 0.5849 min: 0.2407 max: 2.4970 USE_META, weight: 0.8527 cost: 0.6099 min: 0.2407 max: 2.4970 USE_META, weight: 0.8495 cost: 0.6179 min: 0.2407 max: 2.4970 USE_META, weight: 0.8522 cost: 0.6112 min: 0.2407 max: 2.4970 USE_META, weight: 0.8044 cost: 0.7312 min: 0.2407 max: 2.4970 USE_META, weight: 0.8506 cost: 0.6153 min: 0.2407 max: 2.4970 USE_META, weight: 0.6781 cost: 1.0477 min: 0.2407 max: 2.4970 USE_META, weight: 0.6357 cost: 1.1541 min: 0.2407 max: 2.4970 USE_META, weight: 0.6553 cost: 1.1048 min: 0.2407 max: 2.4970 USE_META, weight: 0.8261 cost: 0.6768 min: 0.2407 max: 2.4970 USE_META, weight: 0.6280 cost: 1.1734 min: 0.2407 max: 2.4970 USE_META, weight: 0.4957 cost: 1.5049 min: 0.2407 max: 2.4970 USE_META, weight: 0.8154 cost: 0.7034 min: 0.2407 max: 2.4970 USE_META, weight: 0.7114 cost: 0.9643 min: 0.2407 max: 2.4970 USE_META, weight: 0.8322 cost: 0.6615 min: 0.2407 max: 2.4970 USE_META, weight: 0.6368 cost: 1.1513 min: 0.2407 max: 2.4970 USE_META, weight: 0.8275 cost: 0.6731 min: 0.2407 max: 2.4970 USE_META, weight: 0.7132 cost: 0.9596 min: 0.2407 max: 2.4970 USE_META, weight: 0.8298 cost: 0.6675 min: 0.2407 max: 2.4970 USE_META, weight: 0.7401 cost: 0.8922 min: 0.2407 max: 2.4970 USE_META, weight: 0.8044 cost: 0.7312 min: 0.2407 max: 2.4970 USE_META, weight: 0.8147 cost: 0.7052 min: 0.2407 max: 2.4970 USE_META, weight: 0.8495 cost: 0.6179 min: 0.2407 max: 2.4970 USE_META, weight: 0.8522 cost: 0.6112 min: 0.2407 max: 2.4970 USE_META, weight: 0.8070 cost: 0.7245 min: 0.2407 max: 2.4970 USE_META, weight: 0.2238 cost: 2.1866 min: 0.2407 max: 2.4970 USE_META, weight: 0.2737 cost: 2.0616 min: 0.2407 max: 2.4970 USE_META, weight: 0.3686 cost: 1.8237 min: 0.2407 max: 2.4970 USE_META, weight: 0.3943 cost: 1.7592 min: 0.2407 max: 2.4970 USE_META, weight: 0.3259 cost: 1.9306 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.9029 cost: 0.4841 min: 0.2407 max: 2.4970 USE_META, weight: 0.9498 cost: 0.3665 min: 0.2407 max: 2.4970 USE_META, weight: 0.7504 cost: 0.8665 min: 0.2407 max: 2.4970 USE_META, weight: 0.8939 cost: 0.5066 min: 0.2407 max: 2.4970 USE_META, weight: 0.9032 cost: 0.4835 min: 0.2407 max: 2.4970 USE_META, weight: 0.8506 cost: 0.6153 min: 0.2407 max: 2.4970 USE_META, weight: 0.6781 cost: 1.0477 min: 0.2407 max: 2.4970 USE_META, weight: 0.4433 cost: 1.6365 min: 0.2407 max: 2.4970 USE_META, weight: 0.6053 cost: 1.2302 min: 0.2407 max: 2.4970 USE_META, weight: 0.6601 cost: 1.0929 min: 0.2407 max: 2.4970 USE_META, weight: 0.8587 cost: 0.5949 min: 0.2407 max: 2.4970 USE_META, weight: 0.6913 cost: 1.0146 min: 0.2407 max: 2.4970 USE_META, weight: 0.8662 cost: 0.5761 min: 0.2407 max: 2.4970 USE_META, weight: 0.5457 cost: 1.3796 min: 0.2407 max: 2.4970 USE_META, weight: 0.5775 cost: 1.2999 min: 0.2407 max: 2.4970 USE_META, weight: 0.8487 cost: 0.6199 min: 0.2407 max: 2.4970 USE_META, weight: 0.8286 cost: 0.6704 min: 0.2407 max: 2.4970 USE_META, weight: 0.6769 cost: 1.0507 min: 0.2407 max: 2.4970 USE_META, weight: 0.5817 cost: 1.2894 min: 0.2407 max: 2.4970 USE_META, weight: 0.3405 cost: 1.8941 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.8977 cost: 0.4971 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.9539 cost: 0.3562 min: 0.2407 max: 2.4970 USE_META, weight: 0.9352 cost: 0.4031 min: 0.2407 max: 2.4970 USE_META, weight: 0.9665 cost: 0.3248 min: 0.2407 max: 2.4970 USE_META, weight: 0.9579 cost: 0.3464 min: 0.2407 max: 2.4970 USE_META, weight: 0.9594 cost: 0.3425 min: 0.2407 max: 2.4970 USE_META, weight: 0.8888 cost: 0.5195 min: 0.2407 max: 2.4970 USE_META, weight: 0.8596 cost: 0.5928 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.5866 cost: 1.2771 min: 0.2407 max: 2.4970 USE_META, weight: 0.4945 cost: 1.5080 min: 0.2407 max: 2.4970 USE_META, weight: 0.4938 cost: 1.5099 min: 0.2407 max: 2.4970 USE_META, weight: 0.2304 cost: 2.1700 min: 0.2407 max: 2.4970 USE_META, weight: 0.4836 cost: 1.5353 min: 0.2407 max: 2.4970 USE_META, weight: 0.2200 cost: 2.1963 min: 0.2407 max: 2.4970 USE_META, weight: 0.2334 cost: 2.1626 min: 0.2407 max: 2.4970 USE_META, weight: 0.1894 cost: 2.2729 min: 0.2407 max: 2.4970 USE_META, weight: 0.1247 cost: 2.4352 min: 0.2407 max: 2.4970 USE_META, weight: 0.1022 cost: 2.4916 min: 0.2407 max: 2.4970 USE_META, weight: 0.1715 cost: 2.3178 min: 0.2407 max: 2.4970 USE_META, weight: 0.4635 cost: 1.5856 min: 0.2407 max: 2.4970 USE_META, weight: 0.6666 cost: 1.0765 min: 0.2407 max: 2.4970 USE_META, weight: 0.6567 cost: 1.1015 min: 0.2407 max: 2.4970 USE_META, weight: 0.3445 cost: 1.8840 min: 0.2407 max: 2.4970 USE_META, weight: 0.6831 cost: 1.0351 min: 0.2407 max: 2.4970 USE_META, weight: 0.6421 cost: 1.1381 min: 0.2407 max: 2.4970 USE_META, weight: 0.6427 cost: 1.1364 min: 0.2407 max: 2.4970 USE_META, weight: 0.8048 cost: 0.7301 min: 0.2407 max: 2.4970 USE_META, weight: 0.6530 cost: 1.1108 min: 0.2407 max: 2.4970 USE_META, weight: 0.7720 cost: 0.8123 min: 0.2407 max: 2.4970 USE_META, weight: 0.8368 cost: 0.6499 min: 0.2407 max: 2.4970 USE_META, weight: 0.3601 cost: 1.8450 min: 0.2407 max: 2.4970 USE_META, weight: 0.5255 cost: 1.4302 min: 0.2407 max: 2.4970 USE_META, weight: 0.4947 cost: 1.5074 min: 0.2407 max: 2.4970 USE_META, weight: 0.5651 cost: 1.3310 min: 0.2407 max: 2.4970 USE_META, weight: 0.6174 cost: 1.2000 min: 0.2407 max: 2.4970 USE_META, weight: 0.4522 cost: 1.6139 min: 0.2407 max: 2.4970 USE_META, weight: 0.7498 cost: 0.8679 min: 0.2407 max: 2.4970 USE_EVALUE, weight: 0.8152 eval: 1.1007 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8152 eval: 1.1007 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8152 eval: 1.1007 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8673 eval: 0.7905 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8673 eval: 0.7905 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8673 eval: 0.7905 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.4689 eval: 3.1626 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.4689 eval: 3.1626 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.4689 eval: 3.1626 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.5198 eval: 2.8594 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.5198 eval: 2.8594 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.5198 eval: 2.8594 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.6829 eval: 1.8885 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.6829 eval: 1.8885 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.6829 eval: 1.8885 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8073 eval: 1.1477 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8073 eval: 1.1477 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8073 eval: 1.1477 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9665 eval: 0.2000 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9665 eval: 0.2000 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9665 eval: 0.2000 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9963 eval: 0.0225 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9963 eval: 0.0225 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9963 eval: 0.0225 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8419 eval: 0.9416 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8419 eval: 0.9416 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8419 eval: 0.9416 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8356 eval: 0.9789 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8356 eval: 0.9789 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8356 eval: 0.9789 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9758 eval: 0.1443 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9758 eval: 0.1443 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9758 eval: 0.1443 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.6158 eval: 2.2876 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.6158 eval: 2.2876 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.6158 eval: 2.2876 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9631 eval: 0.2197 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9631 eval: 0.2197 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9631 eval: 0.2197 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9411 eval: 0.3510 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9411 eval: 0.3510 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9411 eval: 0.3510 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.6757 eval: 1.9311 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.6757 eval: 1.9311 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.6757 eval: 1.9311 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9894 eval: 0.0631 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9894 eval: 0.0631 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9894 eval: 0.0631 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.1000 eval: 5.3587 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.1000 eval: 5.3587 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.1000 eval: 5.3587 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9158 eval: 0.5015 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9158 eval: 0.5015 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9158 eval: 0.5015 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9550 eval: 0.2684 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9550 eval: 0.2684 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9550 eval: 0.2684 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7909 eval: 1.2450 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7909 eval: 1.2450 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7909 eval: 1.2450 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7025 eval: 1.7714 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7025 eval: 1.7714 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7025 eval: 1.7714 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8483 eval: 0.9034 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8483 eval: 0.9034 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8483 eval: 0.9034 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8910 eval: 0.6495 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8910 eval: 0.6495 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8910 eval: 0.6495 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7793 eval: 1.3143 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7793 eval: 1.3143 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7793 eval: 1.3143 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9698 eval: 0.1802 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9698 eval: 0.1802 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9698 eval: 0.1802 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9547 eval: 0.2698 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9547 eval: 0.2698 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9547 eval: 0.2698 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.2254 eval: 4.6120 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.2254 eval: 4.6120 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.2254 eval: 4.6120 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9315 eval: 0.4079 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9315 eval: 0.4079 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9315 eval: 0.4079 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7870 eval: 1.2682 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7870 eval: 1.2682 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7870 eval: 1.2682 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9801 eval: 0.1190 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9801 eval: 0.1190 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9801 eval: 0.1190 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9802 eval: 0.1181 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9802 eval: 0.1181 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9802 eval: 0.1181 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8162 eval: 1.0946 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8162 eval: 1.0946 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8162 eval: 1.0946 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9140 eval: 0.5122 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9140 eval: 0.5122 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9140 eval: 0.5122 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7631 eval: 1.4105 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7631 eval: 1.4105 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7631 eval: 1.4105 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9907 eval: 0.0555 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9907 eval: 0.0555 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9907 eval: 0.0555 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8374 eval: 0.9685 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8374 eval: 0.9685 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8374 eval: 0.9685 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7956 eval: 1.2170 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7956 eval: 1.2170 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7956 eval: 1.2170 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8267 eval: 1.0321 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8267 eval: 1.0321 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8267 eval: 1.0321 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8473 eval: 0.9093 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8473 eval: 0.9093 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8473 eval: 0.9093 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9251 eval: 0.4460 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9251 eval: 0.4460 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9251 eval: 0.4460 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 1.0000 eval: 0.0003 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 1.0000 eval: 0.0003 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 1.0000 eval: 0.0003 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.4640 eval: 3.1913 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.4640 eval: 3.1913 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.4640 eval: 3.1913 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9579 eval: 0.2509 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9579 eval: 0.2509 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9579 eval: 0.2509 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9684 eval: 0.1886 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9684 eval: 0.1886 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9684 eval: 0.1886 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9188 eval: 0.4839 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9188 eval: 0.4839 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9188 eval: 0.4839 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8428 eval: 0.9362 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8428 eval: 0.9362 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8428 eval: 0.9362 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9990 eval: 0.0061 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9990 eval: 0.0061 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9990 eval: 0.0061 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8849 eval: 0.6858 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8849 eval: 0.6858 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8849 eval: 0.6858 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7603 eval: 1.4276 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7603 eval: 1.4276 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.7603 eval: 1.4276 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9989 eval: 0.0069 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9989 eval: 0.0069 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9989 eval: 0.0069 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8386 eval: 0.9610 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8386 eval: 0.9610 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.8386 eval: 0.9610 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9900 eval: 0.0601 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9900 eval: 0.0601 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9900 eval: 0.0601 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9917 eval: 0.0494 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9917 eval: 0.0494 min: 0.0003 max: 5.3587 USE_EVALUE, weight: 0.9917 eval: 0.0494 min: 0.0003 max: 5.3587 Number of contacts in models: 254 Number of contacts in alignments: 159 NUMB_ALIGNS: 159 Adding 20981 constraints to all3.constraints Done adding distance constraints # command:Reading probabilities from probabilities.dat Reading constraints from ConstraintSet all3.constraints maxweight: 1.0000 Optimizing... Probability sum: -479.9697, CN propb: -479.9697 weights: 0.1860 constraints: 1389 # command:Found ConstraintSet # PrintContacts align.constraints_meta03 Number of constraints in align3.constraints 1389 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta03 Number of constraints in align3.constraints.bonus 1389 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta03 Number of constraints in rejected3.constraints 19592 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta03 Number of constraints in rejected3.constraints.bonus 19592 # command:Found ConstraintSet # PrintContacts non_contacts.constraints_meta03 Number of constraints in noncontact3.constraints 0 # command:Found ConstraintSet # PrintContacts non_contacts_bonus.constraints_meta03 Number of constraints in noncontact3.constraints.bonus 0 # command:Found ConstraintSet # PrintContacts all.constraints_meta03 Number of constraints in all3.constraints 20981 # command: