# 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/T0372/ # command:# Making conformation for sequence T0372 numbered 1 through 305 Created new target T0372 from T0372.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0372/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0372//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0372/manyalignments-good-all.under or /projects/compbio/experiments/protein-predict/casp7/T0372//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0372/manyalignments-good-all.under.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0372/manyalignments-good-all.under # reading script from file /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0372/manyalignments-good-all.under # Reading fragments from alignment file # Attempting to read fragment alignments from file 2c27A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2c27A expands to /projects/compbio/data/pdb/2c27.pdb.gz 2c27A:# T0372 read from 2c27A/merged-good-all-a2m # 2c27A read from 2c27A/merged-good-all-a2m # adding 2c27A to template set # found chain 2c27A in template set Warning: unaligning (T0372)P3 because first residue in template chain is (2c27A)D5 Warning: unaligning (T0372)D154 because of BadResidue code BAD_PEPTIDE in next template residue (2c27A)P146 T0372 4 :F 2c27A 6 :W # choosing archetypes in rotamer library T0372 5 :KDITLAD 2c27A 8 :SALTADE T0372 12 :RDTITAFTMKSDRRNCDLSFSNL 2c27A 19 :RALVTATTAVDGVAPVGEQVLRE T0372 38 :RFLYDTQFAVIDD 2c27A 42 :LGQQRTEHLLVAG T0372 51 :FLVFKFW 2c27A 62 :IGYLNLS T0372 58 :AGEQLAYMMPVGN 2c27A 73 :AGGAMAELVVHPQ T0372 71 :GD 2c27A 89 :RG T0372 73 :LKAVLRKLIED 2c27A 92 :GTAMARAALAK T0372 87 :EKHNFCMLG 2c27A 103 :TAGRNQFWA T0372 98 :SNMRADLEAILP 2c27A 112 :HGTLDPARATAS T0372 110 :ERFIFTEDRAYAD 2c27A 125 :LGLVGVRELIQMR T0372 131 :ATLK 2c27A 138 :RPLR T0372 151 :TYP 2c27A 142 :DIP T0372 155 :YEYTPI 2c27A 152 :VVIRTY T0372 161 :TPDRIQECLDLEAEWCK 2c27A 159 :GTSDDAELLRVNNAAFA T0372 179 :NNCDQQEGTGNERRALIYA 2c27A 176 :GHPEQGGWTAVQLAERRGE T0372 199 :HNFEALGLT 2c27A 195 :AWFDPDGLI T0372 209 :GILHVN 2c27A 204 :LAFGDS T0372 215 :GKIVAFTFGMPI 2c27A 215 :GRLLGFHWTKVH T0372 227 :NHETFGVHVEKADTS 2c27A 229 :HPGLGEVYVLGVDPA T0372 242 :IDGAYAMINYEFANRI 2c27A 246 :RRGLGQMLTSIGIVSL Number of specific fragments extracted= 21 number of extra gaps= 1 total=21 Number of alignments=1 # 2c27A read from 2c27A/merged-good-all-a2m # found chain 2c27A in template set Warning: unaligning (T0372)I2 because first residue in template chain is (2c27A)D5 Warning: unaligning (T0372)D154 because of BadResidue code BAD_PEPTIDE in next template residue (2c27A)P146 T0372 3 :PFKDITLAD 2c27A 6 :WRSALTADE T0372 12 :RDTITAFTMKSDRRNCDLSFSNLC 2c27A 19 :RALVTATTAVDGVAPVGEQVLREL T0372 39 :FLYDTQFAVIDD 2c27A 43 :GQQRTEHLLVAG T0372 51 :FLVFKF 2c27A 62 :IGYLNL T0372 57 :WAGE 2c27A 71 :RGAG T0372 61 :QLAYMMPVG 2c27A 78 :AELVVHPQS T0372 70 :NGD 2c27A 88 :RRG T0372 73 :LKAVLRKLIED 2c27A 92 :GTAMARAALAK T0372 87 :EKHNFCMLG 2c27A 103 :TAGRNQFWA T0372 99 :NMRADLEAIL 2c27A 113 :GTLDPARATA T0372 109 :PERFIFTEDRAYAD 2c27A 124 :ALGLVGVRELIQMR T0372 131 :ATLKG 2c27A 138 :RPLRD T0372 152 :YP 2c27A 143 :IP T0372 155 :YEYTPI 2c27A 152 :VVIRTY T0372 161 :TPDRIQECLDLEAEWCKVNN 2c27A 159 :GTSDDAELLRVNNAAFAGHP T0372 182 :DQQEGTGNERRALIYA 2c27A 179 :EQGGWTAVQLAERRGE T0372 199 :HNFEALGLT 2c27A 195 :AWFDPDGLI T0372 209 :GILHVN 2c27A 204 :LAFGDS T0372 215 :GKIVAFTFGMPIN 2c27A 215 :GRLLGFHWTKVHP T0372 228 :HETFGVHVEKADTS 2c27A 230 :PGLGEVYVLGVDPA T0372 242 :IDGAYAMINYEFANRIPE 2c27A 246 :RRGLGQMLTSIGIVSLAR Number of specific fragments extracted= 21 number of extra gaps= 1 total=42 Number of alignments=2 # 2c27A read from 2c27A/merged-good-all-a2m # found chain 2c27A in template set T0372 5 :KDITLADRDTITAFTMKS 2c27A 8 :SALTADEQRSVRALVTAT T0372 23 :DRRN 2c27A 30 :GVAP T0372 30 :SFSNLCSWRFLYDTQFAVIDD 2c27A 34 :VGEQVLRELGQQRTEHLLVAG T0372 51 :FLVFKFWAGEQ 2c27A 61 :IIGYLNLSPPR T0372 62 :LAYMMPVGNGD 2c27A 77 :MAELVVHPQSR T0372 73 :LKAVLRKLIEDADK 2c27A 92 :GTAMARAALAKTAG T0372 88 :KHNFCMLGVCSNMRADLEAI 2c27A 106 :RNQFWAHGTLDPARATASAL T0372 111 :RFIFTE 2c27A 126 :GLVGVR T0372 122 :DYIYLRSDLATL 2c27A 132 :ELIQMRRPLRDI T0372 153 :PDYEYTPI 2c27A 150 :DGVVIRTY T0372 161 :TPDRIQECLDLEAEWCKVNNCDQQEGTGN 2c27A 159 :GTSDDAELLRVNNAAFAGHPEQGGWTAVQ T0372 198 :LHNFEALGLT 2c27A 188 :LAERRGEAWF T0372 208 :GGILH 2c27A 202 :LILAF T0372 214 :NGKIVAFTFGMPI 2c27A 214 :PGRLLGFHWTKVH T0372 227 :NHETFGVHVEKADTSI 2c27A 229 :HPGLGEVYVLGVDPAA T0372 243 :DGAYAMINYEFANRIPEQ 2c27A 247 :RGLGQMLTSIGIVSLARR Number of specific fragments extracted= 16 number of extra gaps= 0 total=58 Number of alignments=3 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1sqhA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1sqhA expands to /projects/compbio/data/pdb/1sqh.pdb.gz 1sqhA: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 # T0372 read from 1sqhA/merged-good-all-a2m # 1sqhA read from 1sqhA/merged-good-all-a2m # adding 1sqhA to template set # found chain 1sqhA in template set T0372 5 :KDITLAD 1sqhA 11 :RPLSDSE T0372 12 :RDTITAFTMKSDRRNCDLSF 1sqhA 19 :DELLDLYKVKFGIRNFHYLL T0372 32 :SNLCSWR 1sqhA 40 :YNQRKWD T0372 39 :FLYDTQFAVID 1sqhA 63 :SLRKQFYTHRR T0372 51 :FLVFKFWAGEQLAYMMPVGNGD 1sqhA 81 :TYVSLHRDIVQSVSFFSWQPDG T0372 77 :LRKLIED 1sqhA 106 :LWECLEQ T0372 87 :EKHNFCMLGVCSNMRADLEAIL 1sqhA 118 :WTQGALLTNVDLGFCNRVKELA T0372 109 :PERFIFTEDRAYADYIYLRSDLATLK 1sqhA 141 :SRGVTAIQPRQCFGMVLSHEDAFCAK T0372 152 :YPDYEYTPITPDRIQECLDL 1sqhA 171 :PSEFEIRRLRAEDAAMVHDS T0372 179 :NNC 1sqhA 191 :WPN T0372 183 :QQEGTGNERRALIYA 1sqhA 194 :KGEGSLTYLQALVRF T0372 204 :LGLTGGILHVNGKIVAFTFGMPIN 1sqhA 209 :NKSLGICRSDTGELIAWIFQNDFS T0372 233 :VHVEKADTS 1sqhA 234 :LGMLQVLPK T0372 242 :IDGAYAMINYEFANRI 1sqhA 245 :RRGLGGLLAAAMSREI Number of specific fragments extracted= 14 number of extra gaps= 0 total=72 Number of alignments=4 # 1sqhA read from 1sqhA/merged-good-all-a2m # found chain 1sqhA in template set T0372 5 :KDITLAD 1sqhA 11 :RPLSDSE T0372 12 :RDTITAFTMKSDRRNCDLSF 1sqhA 19 :DELLDLYKVKFGIRNFHYLL T0372 32 :SNLCSWR 1sqhA 40 :YNQRKWD T0372 39 :FLYD 1sqhA 63 :SLRK T0372 44 :QFAVIDD 1sqhA 67 :QFYTHRR T0372 51 :FLVFKFWAGEQLAYMMPVGNGD 1sqhA 81 :TYVSLHRDIVQSVSFFSWQPDG T0372 73 :LKAVLRK 1sqhA 106 :LWECLEQ T0372 87 :EKHNFCMLGVCSNMRADLEAIL 1sqhA 118 :WTQGALLTNVDLGFCNRVKELA T0372 109 :PERFIFTEDRAYADYIYLRSDLATLK 1sqhA 141 :SRGVTAIQPRQCFGMVLSHEDAFCAK T0372 152 :YPDYEYTPITPDRIQEC 1sqhA 171 :PSEFEIRRLRAEDAAMV T0372 176 :CKVNN 1sqhA 188 :HDSWP T0372 182 :DQQEGTGNERRALIYA 1sqhA 193 :NKGEGSLTYLQALVRF T0372 204 :LGLT 1sqhA 209 :NKSL T0372 209 :GILHVN 1sqhA 213 :GICRSD T0372 215 :GKIVAFTFGMPIN 1sqhA 220 :GELIAWIFQNDFS T0372 233 :VHVEKADTS 1sqhA 234 :LGMLQVLPK T0372 242 :IDGAYAMINYEFANRIPE 1sqhA 245 :RRGLGGLLAAAMSREIAR Number of specific fragments extracted= 17 number of extra gaps= 0 total=89 Number of alignments=5 # 1sqhA read from 1sqhA/merged-good-all-a2m # found chain 1sqhA in template set Warning: unaligning (T0372)D297 because last residue in template chain is (1sqhA)S303 T0372 4 :FKDITLADRDTITAFTMK 1sqhA 10 :LRPLSDSEVDELLDLYKV T0372 22 :SDRRNCDLSFSNLCSWR 1sqhA 30 :GIRNFHYLLLYNQRKWD T0372 39 :FLYDTQFAVIDD 1sqhA 62 :ISLRKQFYTHRR T0372 51 :FLVFKFWAGEQLAYMMPVGNGDLKAVLRKLIE 1sqhA 81 :TYVSLHRDIVQSVSFFSWQPDGAAELWECLEQ T0372 87 :EKHNFCMLGVCSNMRADLEAILPE 1sqhA 118 :WTQGALLTNVDLGFCNRVKELAVS T0372 111 :RFIFTEDRAYADYIYLRSDLATLK 1sqhA 143 :GVTAIQPRQCFGMVLSHEDAFCAK T0372 153 :PDYEYTPITPDRIQECLDL 1sqhA 172 :SEFEIRRLRAEDAAMVHDS T0372 178 :VNNCDQQ 1sqhA 191 :WPNKGEG T0372 187 :TGNERRALIYA 1sqhA 198 :SLTYLQALVRF T0372 206 :LTGGILHVNG 1sqhA 209 :NKSLGICRSD T0372 216 :KIVAFTFGMPIN 1sqhA 221 :ELIAWIFQNDFS T0372 232 :GVHVEKADTSID 1sqhA 233 :GLGMLQVLPKAE T0372 244 :GAYAMINYEFANRIPE 1sqhA 247 :GLGGLLAAAMSREIAR T0372 260 :Q 1sqhA 267 :T T0372 261 :YIYINR 1sqhA 269 :TAWIVA T0372 268 :EDLGIEG 1sqhA 275 :TNWRSEA T0372 275 :LR 1sqhA 283 :LK T0372 279 :KLSYQPVTILEKYMACLK 1sqhA 285 :RIGYQKDLVNEWIKLVPN Number of specific fragments extracted= 18 number of extra gaps= 0 total=107 Number of alignments=6 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2cy2A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2cy2A expands to /projects/compbio/data/pdb/2cy2.pdb.gz 2cy2A: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 # T0372 read from 2cy2A/merged-good-all-a2m # 2cy2A read from 2cy2A/merged-good-all-a2m # adding 2cy2A to template set # found chain 2cy2A in template set T0372 156 :EYTPITPDRIQECLDLE 2cy2A 2 :RIRRAGLEDLPGVARVL T0372 173 :AEWCK 2cy2A 20 :DTWRA T0372 178 :VNNCDQQE 2cy2A 26 :YRGVVPEA T0372 186 :GTGNERRALIYALHNFEALGLTGGILHVNGKIVAFTFGMPIN 2cy2A 39 :SYEGQAERWAQRLKTPTWPGRLFVAESESGEVVGFAAFGPDR T0372 228 :HE 2cy2A 85 :PG T0372 230 :TFGVHVEKADTS 2cy2A 88 :TAELWAIYVLPT T0372 242 :IDGAYAMINYEFANRIPE 2cy2A 102 :RKGLGRALFHEGARLLQA T0372 260 :QYIYI 2cy2A 121 :GYGRM Number of specific fragments extracted= 8 number of extra gaps= 0 total=115 Number of alignments=7 # 2cy2A read from 2cy2A/merged-good-all-a2m # found chain 2cy2A in template set T0372 156 :EYTPITPDRIQECLDLE 2cy2A 2 :RIRRAGLEDLPGVARVL T0372 173 :AEWCK 2cy2A 20 :DTWRA T0372 178 :VNNC 2cy2A 26 :YRGV T0372 182 :DQQEGTGNERRALIYALHNF 2cy2A 31 :PEAFLEGLSYEGQAERWAQR T0372 202 :EALGLTGGILHVN 2cy2A 54 :PTWPGRLFVAESE T0372 215 :GKIVAFTFGMPIN 2cy2A 68 :GEVVGFAAFGPDR T0372 228 :HE 2cy2A 85 :PG T0372 230 :TFGVHVEKADTS 2cy2A 88 :TAELWAIYVLPT T0372 242 :IDGAYAMINYEFANRIPE 2cy2A 102 :RKGLGRALFHEGARLLQA T0372 260 :QYIYIN 2cy2A 121 :GYGRML Number of specific fragments extracted= 10 number of extra gaps= 0 total=125 Number of alignments=8 # 2cy2A read from 2cy2A/merged-good-all-a2m # found chain 2cy2A in template set T0372 156 :EYTPITPDRIQECLDLEAEWCKVN 2cy2A 2 :RIRRAGLEDLPGVARVLVDTWRAT T0372 180 :NCDQQ 2cy2A 28 :GVVPE T0372 185 :EGTGNERR 2cy2A 38 :LSYEGQAE T0372 196 :YALHNFEALGLTGGILHV 2cy2A 46 :RWAQRLKTPTWPGRLFVA T0372 214 :NGKIVAFTFGMPIN 2cy2A 67 :SGEVVGFAAFGPDR T0372 228 :HE 2cy2A 85 :PG T0372 230 :TFGVHVEKADTSI 2cy2A 88 :TAELWAIYVLPTW T0372 243 :DGAYAMINYEFANRIPEQ 2cy2A 103 :KGLGRALFHEGARLLQAE T0372 261 :YIYINREE 2cy2A 126 :LVWVLKEN Number of specific fragments extracted= 9 number of extra gaps= 0 total=134 Number of alignments=9 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2aj6A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2aj6A expands to /projects/compbio/data/pdb/2aj6.pdb.gz 2aj6A: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 91, because occupancy 0.5 <= existing 0.500 in 2aj6A Skipped atom 95, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 97, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 103, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 105, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 107, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 109, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 111, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 113, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 115, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 117, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 170, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 172, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 174, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 176, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 178, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 180, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 182, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 184, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 301, because occupancy 0.400 <= existing 0.600 in 2aj6A 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 406, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 410, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 412, because occupancy 0.500 <= existing 0.500 in 2aj6A 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 689, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 691, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 693, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 695, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 697, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 699, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 701, because occupancy 0.500 <= existing 0.500 in 2aj6A Skipped atom 703, because occupancy 0.500 <= existing 0.500 in 2aj6A 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 946, because occupancy 0.500 <= existing 0.500 in 2aj6A 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 950, because occupancy 0.500 <= existing 0.500 in 2aj6A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 952, because occupancy 0.500 <= existing 0.500 in 2aj6A 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 956, because occupancy 0.500 <= existing 0.500 in 2aj6A # T0372 read from 2aj6A/merged-good-all-a2m # 2aj6A read from 2aj6A/merged-good-all-a2m # adding 2aj6A to template set # found chain 2aj6A in template set Warning: unaligning (T0372)N265 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (2aj6A)N117 T0372 156 :EYTPIT 2aj6A 0 :HMRTLN T0372 163 :DRIQECLDLEAEWCKVNNCDQQEGTGNERRALIYALHNFEALGLTGGILHVNGKIVAFTFGMPINHE 2aj6A 10 :NYIKQIANIHETLLSQVESNYKCTKLSIALRYEMICSRLEHTNDKIYIYENEGQLIAFIWGHFSNEK T0372 230 :TFGVHVEKADTSID 2aj6A 78 :MVNIELLYVEPQFR T0372 244 :GAYAMINYEFANRIPE 2aj6A 94 :GIATQLKIALEKWAKT T0372 260 :QYIYI 2aj6A 111 :NAKRI Number of specific fragments extracted= 5 number of extra gaps= 1 total=139 Number of alignments=10 # 2aj6A read from 2aj6A/merged-good-all-a2m # found chain 2aj6A in template set Warning: unaligning (T0372)N265 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (2aj6A)N117 T0372 156 :EYTPIT 2aj6A 0 :HMRTLN T0372 162 :PDRIQECLDLEAEWCKVNN 2aj6A 9 :HNYIKQIANIHETLLSQVE T0372 182 :DQQEGTGNERRALIYAL 2aj6A 28 :SNYKCTKLSIALRYEMI T0372 199 :HNFEALGLTGGILHVNGKIVAFTFGMPIN 2aj6A 46 :SRLEHTNDKIYIYENEGQLIAFIWGHFSN T0372 228 :HETFGVHVEKADTSID 2aj6A 76 :KSMVNIELLYVEPQFR T0372 244 :GAYAMINYEFANRIPE 2aj6A 94 :GIATQLKIALEKWAKT T0372 260 :QYIYI 2aj6A 111 :NAKRI Number of specific fragments extracted= 7 number of extra gaps= 1 total=146 Number of alignments=11 # 2aj6A read from 2aj6A/merged-good-all-a2m # found chain 2aj6A in template set Warning: unaligning (T0372)Y155 because first residue in template chain is (2aj6A)H-1 T0372 156 :EYTPIT 2aj6A 0 :HMRTLN T0372 162 :PDRIQECLDLEAEWCKVNNCDQQEGTGNERRALIYALHNFEALGLTGGILHVNGKIVAFTFGMPINHET 2aj6A 9 :HNYIKQIANIHETLLSQVESNYKCTKLSIALRYEMICSRLEHTNDKIYIYENEGQLIAFIWGHFSNEKS T0372 232 :GVHVEK 2aj6A 78 :MVNIEL T0372 238 :ADTSID 2aj6A 86 :VEPQFR T0372 244 :GAYAMINYEFANRIP 2aj6A 94 :GIATQLKIALEKWAK Number of specific fragments extracted= 5 number of extra gaps= 0 total=151 Number of alignments=12 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ne9A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0372 read from 1ne9A/merged-good-all-a2m # 1ne9A read from 1ne9A/merged-good-all-a2m # found chain 1ne9A in training set T0372 6 :DITLADRDTITAFTMKSDRRNCDLSFSNLCSWRFLYD 1ne9A 2 :VLNLNDPQAVERYEEFMRQSPYGQVTQDLGWAKVKNN T0372 43 :TQFAVID 1ne9A 41 :PVDVYLE T0372 50 :D 1ne9A 49 :D T0372 51 :FLVFKFWA 1ne9A 55 :AAMSMLLG T0372 59 :GEQLAYMM 1ne9A 66 :TDKKFAYA T0372 67 :PVGNGDLKAVLRKLIEDADKE 1ne9A 77 :PVMDVTDVDLLDRLVDEAVKA T0372 88 :KHNFCMLGV 1ne9A 99 :DGRAYVLRF T0372 97 :CSNMRADLEAI 1ne9A 114 :SDEFNTTLQDH T0372 109 :PERFIFTEDR 1ne9A 137 :GMHATIQPRL T0372 119 :AYAD 1ne9A 148 :MVLD T0372 127 :RSDLATLKG 1ne9A 152 :LTKFPDAKT T0372 139 :QAKRNHINRFRNTY 1ne9A 167 :SKTKSKIKRPFRDG T0372 155 :YEYT 1ne9A 181 :VEVH T0372 159 :PITPDRIQECLDLEAEWCKVNNCDQQEGT 1ne9A 186 :GNSATELDEFFKTYTTMAERHGITHRPIE T0372 193 :ALIYALHNFEALGLTGGILHVNGKIVAFTFGMPINHETFGVHVEKADTSIDGAYAMINYEFANRIPE 1ne9A 215 :YFQRMQAAFDADTMRIFVAEREGKLLSTGIALKYGRKIWYMYAGSMDGNTYYAPYAVQSEMIQWALD T0372 260 :QYIYIN 1ne9A 283 :NTDLYD T0372 275 :LRKAKLSYQPVTILEKYMACLKD 1ne9A 289 :LGGIESESTDDSLYVFKHVFVKD Number of specific fragments extracted= 17 number of extra gaps= 0 total=168 Number of alignments=13 # 1ne9A read from 1ne9A/merged-good-all-a2m # found chain 1ne9A in training set T0372 7 :ITLADRDTITAFT 1ne9A 3 :LNLNDPQAVERYE T0372 20 :MKSDRR 1ne9A 19 :RQSPYG T0372 26 :NCDLSFSNL 1ne9A 27 :TQDLGWAKV T0372 38 :RFLYDTQFAVIDD 1ne9A 36 :KNNWEPVDVYLED T0372 51 :FLVFKFWAGE 1ne9A 54 :IAAMSMLLGD T0372 61 :QLAY 1ne9A 69 :KFAY T0372 65 :MMPVGNGDLKAVLRKLIEDADKE 1ne9A 75 :KGPVMDVTDVDLLDRLVDEAVKA T0372 88 :KHNFCMLGVC 1ne9A 99 :DGRAYVLRFD T0372 98 :SNMRADLEA 1ne9A 115 :DEFNTTLQD T0372 108 :LPERFI 1ne9A 124 :HGYVTR T0372 123 :YIYLRSDL 1ne9A 148 :MVLDLTKF T0372 131 :ATLKGK 1ne9A 162 :LDLYPS T0372 140 :AKRNHINRFRNTY 1ne9A 168 :KTKSKIKRPFRDG T0372 155 :YEYT 1ne9A 181 :VEVH T0372 159 :PITPDRIQECLDLEAEWCKVNNCDQQEGT 1ne9A 186 :GNSATELDEFFKTYTTMAERHGITHRPIE T0372 193 :ALIYALHNFEALGLTGGILHVNGKIVAFTFGMPINHETFGVHVEKADTSIDGAYAMINYEFANRIPE 1ne9A 215 :YFQRMQAAFDADTMRIFVAEREGKLLSTGIALKYGRKIWYMYAGSMDGNTYYAPYAVQSEMIQWALD T0372 260 :QYIYIN 1ne9A 283 :NTDLYD T0372 275 :LRKAKLSYQPVTILEKYMACLKD 1ne9A 289 :LGGIESESTDDSLYVFKHVFVKD Number of specific fragments extracted= 18 number of extra gaps= 0 total=186 Number of alignments=14 # 1ne9A read from 1ne9A/merged-good-all-a2m # found chain 1ne9A in training set T0372 8 :TLADRDTITAFTMKSDRRNCDLSFSN 1ne9A 7 :DPQAVERYEEFMRQSPYGQVTQDLGW T0372 35 :CSWRFLYDTQFAVIDD 1ne9A 33 :AKVKNNWEPVDVYLED T0372 51 :FLVFKFWA 1ne9A 55 :AAMSMLLG T0372 60 :EQ 1ne9A 63 :DT T0372 62 :LAYM 1ne9A 69 :KFAY T0372 66 :MPVGNGD 1ne9A 77 :PVMDVTD T0372 73 :LKAVLRKLIEDAD 1ne9A 87 :LDRLVDEAVKALD T0372 89 :HNF 1ne9A 100 :GRA T0372 92 :CMLGVCSNMRADLEAI 1ne9A 109 :PEVAYSDEFNTTLQDH T0372 113 :I 1ne9A 127 :V T0372 115 :TEDRAYAD 1ne9A 128 :TRNRNVAD T0372 124 :I 1ne9A 149 :V T0372 129 :DLATLKGKKF 1ne9A 151 :DLTKFPDAKT T0372 139 :QAKRNHINRFRNT 1ne9A 167 :SKTKSKIKRPFRD T0372 154 :DYEYTP 1ne9A 180 :GVEVHS T0372 160 :ITPDRIQECLDLEAEWCKVNNCDQQEGTG 1ne9A 187 :NSATELDEFFKTYTTMAERHGITHRPIEY T0372 194 :LIYALHNFEALGLTGGILHVNGKIVAFTFGMPINHETFGVHVEKADTSIDGAYAMINYEFANRIPE 1ne9A 216 :FQRMQAAFDADTMRIFVAEREGKLLSTGIALKYGRKIWYMYAGSMDGNTYYAPYAVQSEMIQWALD T0372 260 :QYIYIN 1ne9A 283 :NTDLYD Number of specific fragments extracted= 18 number of extra gaps= 0 total=204 Number of alignments=15 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1mk4A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0372 read from 1mk4A/merged-good-all-a2m # 1mk4A read from 1mk4A/merged-good-all-a2m # found chain 1mk4A in training set Warning: unaligning (T0372)D154 because first residue in template chain is (1mk4A)H0 T0372 155 :YEYTPITPDRIQECLDLEAEWCKVNNCDQQEGT 1mk4A 1 :MDIRTITSSDYEMVTSVLNEWWGGRQLKEKLPR T0372 193 :ALIYA 1mk4A 34 :LFFEH T0372 201 :FEA 1mk4A 39 :FQD T0372 206 :LT 1mk4A 42 :TS T0372 209 :GILHVNGKIVAFTFGMPI 1mk4A 44 :FITSEHNSMTGFLIGFQS T0372 227 :NHETFGVHVEKADTSID 1mk4A 64 :DPETAYIHFSGVHPDFR T0372 244 :GAYAMINYEFANRIPE 1mk4A 83 :QIGKQLYDVFIETVKQ T0372 260 :QYIYIN 1mk4A 100 :GCTRVK T0372 278 :AKLSYQPVTILEKYM 1mk4A 106 :CVTSPVNKVSIAYHT Number of specific fragments extracted= 9 number of extra gaps= 0 total=213 Number of alignments=16 # 1mk4A read from 1mk4A/merged-good-all-a2m # found chain 1mk4A in training set Warning: unaligning (T0372)D154 because first residue in template chain is (1mk4A)H0 T0372 155 :YEYTPITPDRIQECLDLEAEWCKVNNCDQQEGT 1mk4A 1 :MDIRTITSSDYEMVTSVLNEWWGGRQLKEKLPR T0372 193 :ALIYA 1mk4A 34 :LFFEH T0372 201 :FEAL 1mk4A 39 :FQDT T0372 208 :GGILHVNGKIVAFTFGMPIN 1mk4A 43 :SFITSEHNSMTGFLIGFQSQ T0372 228 :HETFGVHVEKADTSID 1mk4A 65 :PETAYIHFSGVHPDFR T0372 244 :GAYAMINYEFANRIPE 1mk4A 83 :QIGKQLYDVFIETVKQ T0372 260 :QYIYIN 1mk4A 100 :GCTRVK T0372 278 :AKLSYQPVTILEKYMA 1mk4A 106 :CVTSPVNKVSIAYHTK Number of specific fragments extracted= 8 number of extra gaps= 0 total=221 Number of alignments=17 # 1mk4A read from 1mk4A/merged-good-all-a2m # found chain 1mk4A in training set Warning: unaligning (T0372)D154 because first residue in template chain is (1mk4A)H0 T0372 155 :YEYTPITPDRIQECLDLEAEWCKVNNCDQQEGTG 1mk4A 1 :MDIRTITSSDYEMVTSVLNEWWGGRQLKEKLPRL T0372 197 :ALHNFEAL 1mk4A 35 :FFEHFQDT T0372 209 :GILHVNGKIVAFTFGMPI 1mk4A 44 :FITSEHNSMTGFLIGFQS T0372 227 :NHETFGVHVEKADTSIDG 1mk4A 64 :DPETAYIHFSGVHPDFRK T0372 245 :AYAMINYEFANRIPEQ 1mk4A 84 :IGKQLYDVFIETVKQR Number of specific fragments extracted= 5 number of extra gaps= 0 total=226 Number of alignments=18 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2fe7A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2fe7A expands to /projects/compbio/data/pdb/2fe7.pdb.gz 2fe7A:# T0372 read from 2fe7A/merged-good-all-a2m # 2fe7A read from 2fe7A/merged-good-all-a2m # adding 2fe7A to template set # found chain 2fe7A in template set Warning: unaligning (T0372)Y155 because first residue in template chain is (2fe7A)L3 Warning: unaligning (T0372)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2fe7A)G96 T0372 156 :EYTPITPDRIQECLDLEAEWCKVNNCDQQEGTGNE 2fe7A 4 :EIRPAVPADAEQILAFIIELADYERARHEVVTDVE T0372 193 :ALIYAL 2fe7A 39 :GIRRSL T0372 200 :NFEALGLTGGILHVNGKIVAFTFGMPI 2fe7A 45 :FAEGSPTRALMCLSEGRPIGYAVFFYS T0372 227 :NHE 2fe7A 73 :STW T0372 230 :TFGVHVEKADTSI 2fe7A 80 :GIYLEDLYVTPEY T0372 245 :AYAMINYEFANRIPE 2fe7A 97 :AGRRLLRELAREAVA T0372 260 :QYIYIN 2fe7A 113 :DCGRLE Number of specific fragments extracted= 7 number of extra gaps= 1 total=233 Number of alignments=19 # 2fe7A read from 2fe7A/merged-good-all-a2m # found chain 2fe7A in template set Warning: unaligning (T0372)Y155 because first residue in template chain is (2fe7A)L3 Warning: unaligning (T0372)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2fe7A)G96 T0372 156 :EYTPITPDRIQECLDLEAEWCKVNNCDQQEGTGNE 2fe7A 4 :EIRPAVPADAEQILAFIIELADYERARHEVVTDVE T0372 193 :ALIYAL 2fe7A 39 :GIRRSL T0372 200 :NFEALGLTGGILHVNGKIVAFTFGMPIN 2fe7A 45 :FAEGSPTRALMCLSEGRPIGYAVFFYSY T0372 230 :TFGVHVEKADTSI 2fe7A 80 :GIYLEDLYVTPEY T0372 245 :AYAMINYEFANRIPE 2fe7A 97 :AGRRLLRELAREAVA T0372 260 :QYIYIN 2fe7A 113 :DCGRLE T0372 280 :LSYQ 2fe7A 122 :LDWN T0372 285 :VTILEKYMA 2fe7A 126 :QPAIDFYRS Number of specific fragments extracted= 8 number of extra gaps= 1 total=241 Number of alignments=20 # 2fe7A read from 2fe7A/merged-good-all-a2m # found chain 2fe7A in template set Warning: unaligning (T0372)Y155 because first residue in template chain is (2fe7A)L3 Warning: unaligning (T0372)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2fe7A)G96 Warning: unaligning (T0372)G244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2fe7A)G96 T0372 156 :EYTPITPDRIQECLDLEAEWCKVNNCDQQ 2fe7A 4 :EIRPAVPADAEQILAFIIELADYERARHE T0372 185 :EGTGNERRAL 2fe7A 35 :TDVEGIRRSL T0372 200 :NFEALGLTGGILHVNGKIVAFTFGMPI 2fe7A 45 :FAEGSPTRALMCLSEGRPIGYAVFFYS T0372 227 :NHE 2fe7A 73 :STW T0372 231 :FGVHVEK 2fe7A 79 :NGIYLED T0372 238 :ADTSI 2fe7A 88 :VTPEY T0372 245 :AYAMINYEFANRIPEQ 2fe7A 97 :AGRRLLRELAREAVAN Number of specific fragments extracted= 7 number of extra gaps= 1 total=248 Number of alignments=21 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1wwzA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0372 read from 1wwzA/merged-good-all-a2m # 1wwzA read from 1wwzA/merged-good-all-a2m # found chain 1wwzA in training set T0372 153 :PDYEYTPIT 1wwzA 2 :DEIKIEKLK T0372 162 :PDRIQECLDLEAEWC 1wwzA 14 :KKALNELIDVYMSGY T0372 179 :NNCDQ 1wwzA 29 :EGLEE T0372 184 :QEGTGNERRALIYALHNFEAL 1wwzA 36 :GEGRDYARNYIKWCWKKASDG T0372 208 :GGILHVNGKIVAFTFG 1wwzA 57 :FFVAKVGDKIVGFIVC T0372 224 :MPI 1wwzA 76 :WFS T0372 227 :NHE 1wwzA 81 :EGR T0372 230 :TFGVHVEKADTS 1wwzA 85 :VGAIHEFVVDKK T0372 242 :IDGAYAMINYEFANRIPEQYIYIN 1wwzA 99 :GKGIGRKLLITCLDFLGKYNDTIE T0372 270 :L 1wwzA 123 :L T0372 280 :LSYQPVTILEKYMA 1wwzA 125 :VGEKNYGAMNLYEK Number of specific fragments extracted= 11 number of extra gaps= 0 total=259 Number of alignments=22 # 1wwzA read from 1wwzA/merged-good-all-a2m # found chain 1wwzA in training set T0372 153 :PDYEYTPIT 1wwzA 2 :DEIKIEKLK T0372 162 :PDRIQECLDLEAEWC 1wwzA 14 :KKALNELIDVYMSGY T0372 179 :NNCDQ 1wwzA 29 :EGLEE T0372 184 :QEGTGNERRALIYALHNFEAL 1wwzA 36 :GEGRDYARNYIKWCWKKASDG T0372 208 :GGILHVNGKIVAFTFG 1wwzA 57 :FFVAKVGDKIVGFIVC T0372 224 :MPIN 1wwzA 76 :WFSK T0372 228 :HETF 1wwzA 82 :GRIV T0372 232 :GVHVEKADTS 1wwzA 87 :AIHEFVVDKK T0372 242 :IDGAYAMINYEFANRIPEQYIYIN 1wwzA 99 :GKGIGRKLLITCLDFLGKYNDTIE T0372 270 :LG 1wwzA 123 :LW T0372 280 :LSYQPVTILEKYMAC 1wwzA 125 :VGEKNYGAMNLYEKF Number of specific fragments extracted= 11 number of extra gaps= 0 total=270 Number of alignments=23 # 1wwzA read from 1wwzA/merged-good-all-a2m # found chain 1wwzA in training set T0372 154 :DYEYTPIT 1wwzA 3 :EIKIEKLK T0372 162 :PDRIQECLDLEAEWC 1wwzA 14 :KKALNELIDVYMSGY T0372 179 :NNCDQ 1wwzA 29 :EGLEE T0372 184 :QEGTGNERRALIYALHNFEAL 1wwzA 36 :GEGRDYARNYIKWCWKKASDG T0372 209 :GILHVNGKIVAFTFGMPI 1wwzA 58 :FVAKVGDKIVGFIVCDKD T0372 228 :HE 1wwzA 82 :GR T0372 230 :TFGVHVEKADTSI 1wwzA 85 :VGAIHEFVVDKKF T0372 243 :DGAYAMINYEFANRIPEQYIYI 1wwzA 100 :KGIGRKLLITCLDFLGKYNDTI Number of specific fragments extracted= 8 number of extra gaps= 0 total=278 Number of alignments=24 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1tiqA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1tiqA expands to /projects/compbio/data/pdb/1tiq.pdb.gz 1tiqA: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 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 # T0372 read from 1tiqA/merged-good-all-a2m # 1tiqA read from 1tiqA/merged-good-all-a2m # adding 1tiqA to template set # found chain 1tiqA in template set Warning: unaligning (T0372)D154 because first residue in template chain is (1tiqA)S2 T0372 155 :YEYTPITPDRIQECLDLEAEWCK 1tiqA 3 :VKMKKCSREDLQTLQQLSIETFN T0372 178 :V 1tiqA 28 :F T0372 183 :QQEGTGNERRALIY 1tiqA 29 :KEQNSPENMKAYLE T0372 197 :ALHNFEALGLTGGILHVNGKIVAFTFG 1tiqA 50 :LEKELSNMSSQFFFIYFDHEIAGYVKV T0372 224 :MPINHETFGV 1tiqA 84 :EEMGAESLEI T0372 234 :HVEKADTS 1tiqA 95 :RIYIKNSF T0372 242 :IDGAYAMINYEFANRIPE 1tiqA 104 :KHGLGKHLLNKAIEIALE T0372 260 :QYIYIN 1tiqA 123 :NKKNIW T0372 270 :LG 1tiqA 129 :LG T0372 281 :S 1tiqA 133 :E T0372 283 :QP 1tiqA 134 :KN T0372 289 :EKYMACLKDH 1tiqA 136 :ENAIAFYKKM Number of specific fragments extracted= 12 number of extra gaps= 0 total=290 Number of alignments=25 # 1tiqA read from 1tiqA/merged-good-all-a2m # found chain 1tiqA in template set Warning: unaligning (T0372)D154 because first residue in template chain is (1tiqA)S2 T0372 155 :YEYTPITPDRIQECLDLEAEWCKVNN 1tiqA 3 :VKMKKCSREDLQTLQQLSIETFNDTF T0372 183 :QQEGTGNERRALIY 1tiqA 29 :KEQNSPENMKAYLE T0372 198 :LHNFEALGLTGGILHVNGKIVAFTFG 1tiqA 51 :EKELSNMSSQFFFIYFDHEIAGYVKV T0372 224 :MPINHETFGVHVEKADTS 1tiqA 84 :EEMGAESLEIERIYIKNS T0372 242 :IDGAYAMINYEFANRIPE 1tiqA 104 :KHGLGKHLLNKAIEIALE T0372 260 :QYIYIN 1tiqA 123 :NKKNIW T0372 270 :LG 1tiqA 129 :LG T0372 280 :LSYQ 1tiqA 132 :WEKN T0372 285 :VTI 1tiqA 136 :ENA T0372 292 :MACLKDH 1tiqA 139 :IAFYKKM Number of specific fragments extracted= 10 number of extra gaps= 0 total=300 Number of alignments=26 # 1tiqA read from 1tiqA/merged-good-all-a2m # found chain 1tiqA in template set Warning: unaligning (T0372)D154 because first residue in template chain is (1tiqA)S2 T0372 155 :YEYTPITPDRIQECLDLEAEWCKVNNCDQQ 1tiqA 3 :VKMKKCSREDLQTLQQLSIETFNDTFKEQN T0372 185 :EGTGNERR 1tiqA 35 :ENMKAYLE T0372 196 :YALHNFEALGLTGGILHVNGKIVAFTFGMP 1tiqA 49 :QLEKELSNMSSQFFFIYFDHEIAGYVKVNI T0372 226 :INHETFGVHVEKADTSI 1tiqA 86 :MGAESLEIERIYIKNSF T0372 243 :DGAYAMINYEFANRIPE 1tiqA 105 :HGLGKHLLNKAIEIALE T0372 260 :QYIYIN 1tiqA 125 :KNIWLG Number of specific fragments extracted= 6 number of extra gaps= 0 total=306 Number of alignments=27 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1yvoA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1yvoA expands to /projects/compbio/data/pdb/1yvo.pdb.gz 1yvoA:Skipped atom 412, because occupancy 0.500 <= existing 0.500 in 1yvoA Skipped atom 414, because occupancy 0.500 <= existing 0.500 in 1yvoA Skipped atom 416, because occupancy 0.500 <= existing 0.500 in 1yvoA Skipped atom 418, because occupancy 0.500 <= existing 0.500 in 1yvoA Skipped atom 420, because occupancy 0.500 <= existing 0.500 in 1yvoA Skipped atom 422, because occupancy 0.500 <= existing 0.500 in 1yvoA Skipped atom 424, because occupancy 0.500 <= existing 0.500 in 1yvoA Skipped atom 764, because occupancy 0.500 <= existing 0.500 in 1yvoA Skipped atom 766, because occupancy 0.500 <= existing 0.500 in 1yvoA Skipped atom 768, because occupancy 0.500 <= existing 0.500 in 1yvoA Skipped atom 770, because occupancy 0.500 <= existing 0.500 in 1yvoA Skipped atom 772, because occupancy 0.500 <= existing 0.500 in 1yvoA Skipped atom 774, because occupancy 0.500 <= existing 0.500 in 1yvoA Skipped atom 776, because occupancy 0.500 <= existing 0.500 in 1yvoA Skipped atom 778, because occupancy 0.500 <= existing 0.500 in 1yvoA Skipped atom 780, because occupancy 0.500 <= existing 0.500 in 1yvoA 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 # T0372 read from 1yvoA/merged-good-all-a2m # 1yvoA read from 1yvoA/merged-good-all-a2m # adding 1yvoA to template set # found chain 1yvoA in template set Warning: unaligning (T0372)E156 because first residue in template chain is (1yvoA)S4 T0372 157 :YTPITPDRIQECLDLEAEWCKVNNC 1yvoA 5 :IRDAGVADLPGILAIYNDAVGNTTA T0372 182 :DQQEGTGNERRALIYA 1yvoA 32 :NETPVDLANRQAWFDT T0372 199 :HNFEALGLT 1yvoA 48 :RARQGYPIL T0372 209 :GILHVNGKIVAFTFGMPIN 1yvoA 57 :VASDAAGEVLGYASYGDWR T0372 230 :TFGVHVEKADTS 1yvoA 83 :TVEHSVYVRDDQ T0372 242 :IDGAYAMINYEFANRIPE 1yvoA 96 :GKGLGVQLLQALIERARA T0372 260 :QYIYIN 1yvoA 115 :GLHVMV Number of specific fragments extracted= 7 number of extra gaps= 0 total=313 Number of alignments=28 # 1yvoA read from 1yvoA/merged-good-all-a2m # found chain 1yvoA in template set Warning: unaligning (T0372)E156 because first residue in template chain is (1yvoA)S4 T0372 157 :YTPITPDRIQECLDLEAEWCKVNNC 1yvoA 5 :IRDAGVADLPGILAIYNDAVGNTTA T0372 182 :DQQEGTGNERRALIYA 1yvoA 32 :NETPVDLANRQAWFDT T0372 199 :HNFEALGLT 1yvoA 48 :RARQGYPIL T0372 209 :GILHVNGKIVAFTFGMPIN 1yvoA 57 :VASDAAGEVLGYASYGDWR T0372 230 :TFGVHVEKADTS 1yvoA 83 :TVEHSVYVRDDQ T0372 242 :IDGAYAMINYEFANRIPE 1yvoA 96 :GKGLGVQLLQALIERARA T0372 260 :QYIYIN 1yvoA 115 :GLHVMV T0372 278 :AKLSYQPVTILEKYMAC 1yvoA 121 :AAIESGNAASIGLHRRL Number of specific fragments extracted= 8 number of extra gaps= 0 total=321 Number of alignments=29 # 1yvoA read from 1yvoA/merged-good-all-a2m # found chain 1yvoA in template set Warning: unaligning (T0372)E156 because first residue in template chain is (1yvoA)S4 T0372 157 :YTPITPDRIQECLDLEAEWCKVN 1yvoA 5 :IRDAGVADLPGILAIYNDAVGNT T0372 182 :DQQEGTGNER 1yvoA 33 :ETPVDLANRQ T0372 196 :YALHNFEALGLTGGILH 1yvoA 43 :AWFDTRARQGYPILVAS T0372 214 :NGKIVAFTFGMPINHE 1yvoA 62 :AGEVLGYASYGDWRPF T0372 230 :TFGVHVEKADTSIDGAYAMINYEFANRIPEQ 1yvoA 84 :VEHSVYVRDDQRGKGLGVQLLQALIERARAQ Number of specific fragments extracted= 5 number of extra gaps= 0 total=326 Number of alignments=30 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vhsA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0372 read from 1vhsA/merged-good-all-a2m # 1vhsA read from 1vhsA/merged-good-all-a2m # found chain 1vhsA in training set Warning: unaligning (T0372)D154 because first residue in template chain is (1vhsA)S0 T0372 155 :YEYTPITPDRIQECLDLEAEWCKVNNC 1vhsA 1 :LTLRLAEHRDLEAVVAIYNSTIASRMV T0372 182 :DQQEGTGNERRALIY 1vhsA 30 :DTEPVTPEDRMEWFS T0372 199 :HNFEALGLT 1vhsA 45 :GHTESRPLY T0372 209 :GILHVNGKIVAFTFGMPINHE 1vhsA 54 :VAEDENGNVAAWISFETFYGR T0372 230 :TFGVHVEKADTS 1vhsA 80 :TAEVSIYIDEAC T0372 242 :IDGAYAMINYEFANRIPE 1vhsA 93 :GKGVGSYLLQEALRIAPN T0372 260 :QYIYIN 1vhsA 112 :GIRSLM T0372 270 :L 1vhsA 121 :F T0372 282 :YQPVTILEKYMA 1vhsA 122 :GHNKPSLKLFEK Number of specific fragments extracted= 9 number of extra gaps= 0 total=335 Number of alignments=31 # 1vhsA read from 1vhsA/merged-good-all-a2m # found chain 1vhsA in training set Warning: unaligning (T0372)D154 because first residue in template chain is (1vhsA)S0 T0372 155 :YEYTPITPDRIQECLDLEAEWCKVNNC 1vhsA 1 :LTLRLAEHRDLEAVVAIYNSTIASRMV T0372 182 :DQQEGTGNERRALIYA 1vhsA 30 :DTEPVTPEDRMEWFSG T0372 200 :NFEALGLT 1vhsA 46 :HTESRPLY T0372 209 :GILHVNGKIVAFTFGMPIN 1vhsA 54 :VAEDENGNVAAWISFETFY T0372 228 :HETFGVHVEKADTS 1vhsA 78 :NKTAEVSIYIDEAC T0372 242 :IDGAYAMINYEFANRIPE 1vhsA 93 :GKGVGSYLLQEALRIAPN T0372 260 :QYIYIN 1vhsA 112 :GIRSLM T0372 280 :LSYQPVTILEKYMA 1vhsA 120 :IFGHNKPSLKLFEK Number of specific fragments extracted= 8 number of extra gaps= 0 total=343 Number of alignments=32 # 1vhsA read from 1vhsA/merged-good-all-a2m # found chain 1vhsA in training set Warning: unaligning (T0372)D154 because first residue in template chain is (1vhsA)S0 T0372 155 :YEYTPITPDRIQECLDLEAEWCKVNNCDQQ 1vhsA 1 :LTLRLAEHRDLEAVVAIYNSTIASRMVTAD T0372 185 :EGT 1vhsA 38 :DRM T0372 199 :HNFEAL 1vhsA 41 :EWFSGH T0372 205 :GLTGGILHV 1vhsA 49 :SRPLYVAED T0372 214 :NGKIVAFTFGMPI 1vhsA 59 :NGNVAAWISFETF T0372 227 :NHETFGVHVEKADTSI 1vhsA 77 :YNKTAEVSIYIDEACR T0372 243 :DGAYAMINYEFANRIPE 1vhsA 94 :KGVGSYLLQEALRIAPN Number of specific fragments extracted= 7 number of extra gaps= 0 total=350 Number of alignments=33 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1cjwA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0372 read from 1cjwA/merged-good-all-a2m # 1cjwA read from 1cjwA/merged-good-all-a2m # found chain 1cjwA in training set T0372 153 :PDYEYTPITPDRIQECLDLEAEWC 1cjwA 33 :PANEFRCLTPEDAAGVFEIEREAF T0372 177 :KVNNC 1cjwA 59 :VSGNC T0372 186 :GTGN 1cjwA 65 :LNLD T0372 193 :ALIYALHNFEAL 1cjwA 69 :EVQHFLTLCPEL T0372 208 :GGILHVNGKIVAFTFGMPINHE 1cjwA 81 :SLGWFVEGRLVAFIIGSLWDEE T0372 230 :TFGV 1cjwA 118 :SAHL T0372 234 :HVEKADTS 1cjwA 123 :ALAVHRSF T0372 242 :IDGAYAMINYEFANRIPE 1cjwA 132 :QQGKGSVLLWRYLHHVGA T0372 260 :QYIYI 1cjwA 152 :AVRRA Number of specific fragments extracted= 9 number of extra gaps= 0 total=359 Number of alignments=34 # 1cjwA read from 1cjwA/merged-good-all-a2m # found chain 1cjwA in training set T0372 153 :PDYEYTPITPDRIQECLDLEAEWC 1cjwA 33 :PANEFRCLTPEDAAGVFEIEREAF T0372 177 :KVNN 1cjwA 58 :SVSG T0372 184 :QEGTGNE 1cjwA 62 :NCPLNLD T0372 193 :ALIYALHNFEAL 1cjwA 69 :EVQHFLTLCPEL T0372 208 :GGILHVNGKIVAFTFGMPINHE 1cjwA 81 :SLGWFVEGRLVAFIIGSLWDEE T0372 230 :TFGVHVEKADTSID 1cjwA 118 :SAHLHALAVHRSFR T0372 244 :GAYAMINYEFANRIPE 1cjwA 134 :GKGSVLLWRYLHHVGA T0372 260 :QYIYI 1cjwA 152 :AVRRA Number of specific fragments extracted= 8 number of extra gaps= 0 total=367 Number of alignments=35 # 1cjwA read from 1cjwA/merged-good-all-a2m # found chain 1cjwA in training set T0372 153 :PDYEYTPITPDRIQECLDLEAEWCKV 1cjwA 33 :PANEFRCLTPEDAAGVFEIEREAFIS T0372 180 :NCDQQEGTGNE 1cjwA 59 :VSGNCPLNLDE T0372 194 :LIYALHNFEAL 1cjwA 70 :VQHFLTLCPEL T0372 208 :GGILHVNGKIVAFTFGMPINHE 1cjwA 81 :SLGWFVEGRLVAFIIGSLWDEE T0372 230 :TFGVHVEKADTSID 1cjwA 118 :SAHLHALAVHRSFR T0372 244 :GAYAMINYEFANRIPEQ 1cjwA 134 :GKGSVLLWRYLHHVGAQ Number of specific fragments extracted= 6 number of extra gaps= 0 total=373 Number of alignments=36 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2d4pA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2d4pA expands to /projects/compbio/data/pdb/2d4p.pdb.gz 2d4pA:# T0372 read from 2d4pA/merged-good-all-a2m # 2d4pA read from 2d4pA/merged-good-all-a2m # adding 2d4pA to template set # found chain 2d4pA in template set Warning: unaligning (T0372)Y155 because first residue in template chain is (2d4pA)M1 T0372 156 :EYTPITPDRIQECLDLE 2d4pA 2 :RFRPFTEEDLDRLNRLA T0372 180 :N 2d4pA 19 :G T0372 182 :DQQEGT 2d4pA 20 :KRPVSL T0372 193 :ALIYA 2d4pA 26 :GALRF T0372 201 :FEALGLT 2d4pA 31 :FARTGHS T0372 209 :GILHVNGKIVAFTFGMPI 2d4pA 38 :FLAEEGEEPMGFALAQAV T0372 227 :NHE 2d4pA 57 :QGE T0372 230 :TFGV 2d4pA 62 :TVLV T0372 234 :HVEKADTS 2d4pA 67 :RIEGRSVE T0372 242 :IDGAYAMINYEFAN 2d4pA 76 :LRGLLRAVVKSAYD T0372 260 :QYIYIN 2d4pA 91 :GVYEVA T0372 278 :AKLSYQPVTILEKYMACLKDHP 2d4pA 97 :LHLDPERKELEEALKAEGFALG Number of specific fragments extracted= 12 number of extra gaps= 0 total=385 Number of alignments=37 # 2d4pA read from 2d4pA/merged-good-all-a2m # found chain 2d4pA in template set T0372 156 :EYTPITPDRIQECLD 2d4pA 2 :RFRPFTEEDLDRLNR T0372 178 :VNN 2d4pA 17 :LAG T0372 182 :DQQEGT 2d4pA 20 :KRPVSL T0372 193 :ALIYA 2d4pA 26 :GALRF T0372 201 :FEALGLT 2d4pA 31 :FARTGHS T0372 209 :GILHVNGKIVAFTFGMPIN 2d4pA 38 :FLAEEGEEPMGFALAQAVW T0372 228 :HETFGVHVEKADTSIDGAYAMINYEFANRIPE 2d4pA 58 :GEATTVLVTRIEGRSVEALRGLLRAVVKSAYD T0372 260 :QYIYIN 2d4pA 91 :GVYEVA T0372 278 :AKLSYQPVTILEKYMACLKDHPM 2d4pA 97 :LHLDPERKELEEALKAEGFALGP Number of specific fragments extracted= 9 number of extra gaps= 0 total=394 Number of alignments=38 # 2d4pA read from 2d4pA/merged-good-all-a2m # found chain 2d4pA in template set Warning: unaligning (T0372)Y155 because first residue in template chain is (2d4pA)M1 T0372 156 :EYTPITPDRIQECLD 2d4pA 2 :RFRPFTEEDLDRLNR T0372 181 :CDQQEGTGN 2d4pA 19 :GKRPVSLGA T0372 198 :LHNFEALGLT 2d4pA 28 :LRFFARTGHS T0372 209 :GILHVNGKIVAFTFGMPI 2d4pA 38 :FLAEEGEEPMGFALAQAV T0372 227 :NHETFGVHVEKADTSIDGAYAMINYEFANRIPE 2d4pA 57 :QGEATTVLVTRIEGRSVEALRGLLRAVVKSAYD T0372 260 :QYIY 2d4pA 94 :EVAL T0372 267 :EEDLGIEGLRKA 2d4pA 98 :HLDPERKELEEA Number of specific fragments extracted= 7 number of extra gaps= 0 total=401 Number of alignments=39 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1z4rA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1z4rA expands to /projects/compbio/data/pdb/1z4r.pdb.gz 1z4rA:# T0372 read from 1z4rA/merged-good-all-a2m # 1z4rA read from 1z4rA/merged-good-all-a2m # adding 1z4rA to template set # found chain 1z4rA in template set T0372 10 :ADRDTITAFTMKSDRRNCDL 1z4rA 515 :RVLLWLVGLQNVFSHQLPRM T0372 30 :SFSNLCSWRFLYDTQFAVIDDFL 1z4rA 537 :EYIARLVFDPKHKTLALIKDGRV T0372 53 :VFKFWAGE 1z4rA 562 :GICFRMFP T0372 61 :QLAYMM 1z4rA 573 :FTEIVF T0372 67 :PVGN 1z4rA 580 :AVTS T0372 73 :LKAVLRKLIEDADKEKHNFCMLGVCSNMRADLEA 1z4rA 591 :GTHLMNHLKEYHIKHNILYFLTYADEYAIGYFKK T0372 108 :LP 1z4rA 625 :QG Number of specific fragments extracted= 7 number of extra gaps= 0 total=408 Number of alignments=40 # 1z4rA read from 1z4rA/merged-good-all-a2m # found chain 1z4rA in template set T0372 11 :DRDTITAF 1z4rA 535 :PKEYIARL T0372 36 :SWRFLYDTQFAVIDD 1z4rA 543 :VFDPKHKTLALIKDG T0372 51 :FLVFKFWAGE 1z4rA 560 :IGGICFRMFP T0372 61 :QLAY 1z4rA 573 :FTEI T0372 65 :MMPVG 1z4rA 578 :FCAVT T0372 70 :NGD 1z4rA 586 :QVK T0372 73 :LKAVLRKLIEDADKEKHNFCMLGVCSNMRADLEA 1z4rA 591 :GTHLMNHLKEYHIKHNILYFLTYADEYAIGYFKK T0372 108 :LP 1z4rA 625 :QG T0372 127 :RSDL 1z4rA 628 :SKDI T0372 132 :TLKGKKFQAK 1z4rA 632 :KVPKSRYLGY T0372 150 :NTYPDYEYT 1z4rA 643 :KDYEGATLM T0372 159 :PITP 1z4rA 654 :ELNP Number of specific fragments extracted= 12 number of extra gaps= 0 total=420 Number of alignments=41 # 1z4rA read from 1z4rA/merged-good-all-a2m # found chain 1z4rA in template set T0372 164 :RIQECLDLEAEWC 1z4rA 519 :WLVGLQNVFSHQL T0372 179 :NNCDQQE 1z4rA 532 :PRMPKEY T0372 197 :ALHNFEALGLTGGILHVNGKIVAFTFGMPI 1z4rA 539 :IARLVFDPKHKTLALIKDGRVIGGICFRMF T0372 227 :NHETFGVHVEKADTSI 1z4rA 570 :TQGFTEIVFCAVTSNE T0372 243 :DGAYAMINYEFANRIPE 1z4rA 588 :KGYGTHLMNHLKEYHIK T0372 260 :QYIY 1z4rA 606 :NILY Number of specific fragments extracted= 6 number of extra gaps= 0 total=426 Number of alignments=42 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1z4eA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1z4eA expands to /projects/compbio/data/pdb/1z4e.pdb.gz 1z4eA:# T0372 read from 1z4eA/merged-good-all-a2m # 1z4eA read from 1z4eA/merged-good-all-a2m # adding 1z4eA to template set # found chain 1z4eA in template set Warning: unaligning (T0372)D154 because first residue in template chain is (1z4eA)H4 T0372 155 :YEYTPITPDRIQECLDLEAE 1z4eA 5 :VTIREATEGDLEQMVHMLAD T0372 176 :CKVNNCDQQEGT 1z4eA 29 :RKRERYEKPLPV T0372 189 :NERRALIYA 1z4eA 41 :SYVRAFKEI T0372 199 :HNFEAL 1z4eA 50 :KKDKNN T0372 207 :TGGILHVNGKIVAFTFGMPINHE 1z4eA 56 :ELIVACNGEEIVGMLQVTFTPYL T0372 230 :TFGVHVEKADTS 1z4eA 85 :RATIEGVRTHSA T0372 242 :IDGAYAMINYEFANRIPE 1z4eA 99 :GQGIGSQLVCWAIERAKE T0372 260 :QYIYIN 1z4eA 118 :GCHLIQ Number of specific fragments extracted= 8 number of extra gaps= 0 total=434 Number of alignments=43 # 1z4eA read from 1z4eA/merged-good-all-a2m # found chain 1z4eA in template set Warning: unaligning (T0372)D154 because first residue in template chain is (1z4eA)H4 T0372 155 :YEYTPITPDRIQECLDLEAE 1z4eA 5 :VTIREATEGDLEQMVHMLAD T0372 176 :CKVNNCDQQEGT 1z4eA 29 :RKRERYEKPLPV T0372 190 :ERRALIYALHNFEALGL 1z4eA 41 :SYVRAFKEIKKDKNNEL T0372 209 :GILHVNGKIVAFTFGMPIN 1z4eA 58 :IVACNGEEIVGMLQVTFTP T0372 229 :E 1z4eA 78 :L T0372 230 :TFGVHVEKADTSID 1z4eA 85 :RATIEGVRTHSAAR T0372 244 :GAYAMINYEFANRIPE 1z4eA 101 :GIGSQLVCWAIERAKE T0372 260 :QYIYIN 1z4eA 118 :GCHLIQ T0372 279 :KLSYQPVTILEK 1z4eA 128 :KQRPDALRFYEQ Number of specific fragments extracted= 9 number of extra gaps= 0 total=443 Number of alignments=44 # 1z4eA read from 1z4eA/merged-good-all-a2m # found chain 1z4eA in template set Warning: unaligning (T0372)D154 because first residue in template chain is (1z4eA)H4 T0372 155 :YEYTPITPDRIQECLDLEAE 1z4eA 5 :VTIREATEGDLEQMVHMLAD T0372 179 :NNCDQQ 1z4eA 30 :KRERYE T0372 185 :EGTGNERRALI 1z4eA 37 :PLPVSYVRAFK T0372 199 :HNFEALGLTGGILHVNGKIVAFTFGMPINHE 1z4eA 48 :EIKKDKNNELIVACNGEEIVGMLQVTFTPYL T0372 230 :TFGVHVEKADTSID 1z4eA 85 :RATIEGVRTHSAAR T0372 244 :GAYAMINYEFANRIPE 1z4eA 101 :GIGSQLVCWAIERAKE T0372 260 :QYIYI 1z4eA 118 :GCHLI Number of specific fragments extracted= 7 number of extra gaps= 0 total=450 Number of alignments=45 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1s3zA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1s3zA expands to /projects/compbio/data/pdb/1s3z.pdb.gz 1s3zA:# T0372 read from 1s3zA/merged-good-all-a2m # 1s3zA read from 1s3zA/merged-good-all-a2m # adding 1s3zA to template set # found chain 1s3zA in template set Warning: unaligning (T0372)P153 because first residue in template chain is (1s3zA)S-1 T0372 154 :DYEYTPITPDRIQECLDLEAEW 1s3zA 0 :HMDIRQMNKTHLEHWRGLRKQL T0372 178 :VNNCDQQEGT 1s3zA 22 :WPGHPDDAHL T0372 193 :ALIYA 1s3zA 32 :ADGEE T0372 200 :NFEALGLTGGILHVNGKIVAFTFGMPIN 1s3zA 37 :ILQADHLASFIAMADGVAIGFADASIRH T0372 228 :HETFGVHVEK 1s3zA 71 :DSSPVVFLEG T0372 238 :ADTS 1s3zA 83 :VLPS T0372 242 :IDGAYAMINYEFANRIPE 1s3zA 89 :QRGVAKQLIAAVQRWGTN T0372 260 :QYIYIN 1s3zA 108 :GCREMA T0372 278 :AKLS 1s3zA 114 :SDTS T0372 283 :QPVTILEKYM 1s3zA 118 :PENTISQKVH Number of specific fragments extracted= 10 number of extra gaps= 0 total=460 Number of alignments=46 # 1s3zA read from 1s3zA/merged-good-all-a2m # found chain 1s3zA in template set Warning: unaligning (T0372)P153 because first residue in template chain is (1s3zA)S-1 T0372 154 :DYEYTPITPDRIQECLDLEAEWC 1s3zA 0 :HMDIRQMNKTHLEHWRGLRKQLW T0372 179 :NNCDQQEGT 1s3zA 23 :PGHPDDAHL T0372 193 :ALIY 1s3zA 32 :ADGE T0372 199 :HNFEALGLTGGILHVNGKIVAFTFGMPIN 1s3zA 36 :EILQADHLASFIAMADGVAIGFADASIRH T0372 228 :HE 1s3zA 71 :DS T0372 230 :TFGVHVEKADTS 1s3zA 75 :VVFLEGIFVLPS T0372 242 :IDGAYAMINYEFANRIPE 1s3zA 89 :QRGVAKQLIAAVQRWGTN T0372 260 :QYIYIN 1s3zA 108 :GCREMA T0372 278 :AKLSYQPVTILEKYMA 1s3zA 114 :SDTSPENTISQKVHQA Number of specific fragments extracted= 9 number of extra gaps= 0 total=469 Number of alignments=47 # 1s3zA read from 1s3zA/merged-good-all-a2m # found chain 1s3zA in template set Warning: unaligning (T0372)P153 because first residue in template chain is (1s3zA)S-1 T0372 154 :DYEYTPITPDRIQECLDLEAEWC 1s3zA 0 :HMDIRQMNKTHLEHWRGLRKQLW T0372 179 :NNCDQQEGTGNERR 1s3zA 23 :PGHPDDAHLADGEE T0372 200 :NFEALGLTGGILHVNGKIVAFTFGMPINHET 1s3zA 37 :ILQADHLASFIAMADGVAIGFADASIRHDYV T0372 232 :GVHVEK 1s3zA 75 :VVFLEG T0372 238 :ADTSI 1s3zA 83 :VLPSF T0372 243 :DGAYAMINYEFANRIPE 1s3zA 90 :RGVAKQLIAAVQRWGTN Number of specific fragments extracted= 6 number of extra gaps= 0 total=475 Number of alignments=48 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2beiA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2beiA expands to /projects/compbio/data/pdb/2bei.pdb.gz 2beiA:Skipped atom 383, because occupancy 0.500 <= existing 0.500 in 2beiA Skipped atom 387, because occupancy 0.500 <= existing 0.500 in 2beiA Skipped atom 389, because occupancy 0.500 <= existing 0.500 in 2beiA 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 # T0372 read from 2beiA/merged-good-all-a2m # 2beiA read from 2beiA/merged-good-all-a2m # adding 2beiA to template set # found chain 2beiA in template set Warning: unaligning (T0372)D154 because first residue in template chain is (2beiA)S3 Warning: unaligning (T0372)C181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2beiA)K35 Warning: unaligning (T0372)G186 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2beiA)K35 Warning: unaligning (T0372)E202 because of BadResidue code BAD_PEPTIDE in next template residue (2beiA)N49 Warning: unaligning (T0372)A203 because of BadResidue code BAD_PEPTIDE at template residue (2beiA)N49 Warning: unaligning (T0372)N214 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2beiA)G68 T0372 155 :YEYTPITPDRIQECLDLEAEWCKVNN 2beiA 4 :VRIREAKEGDCGDILRLIRELAEFEK T0372 187 :TGNE 2beiA 36 :ISEE T0372 193 :ALIYAL 2beiA 40 :ALRADG T0372 200 :NF 2beiA 46 :FG T0372 204 :LGLTGGILHV 2beiA 50 :PFYHCLVAEI T0372 217 :IVAFTFGMPI 2beiA 71 :VVGYGIYYFI T0372 227 :NHE 2beiA 83 :TWK T0372 230 :TFGV 2beiA 88 :TIYL T0372 234 :HVEK 2beiA 93 :DIYV T0372 239 :DTS 2beiA 97 :MPE T0372 242 :IDGAYAMINYEFANRIPE 2beiA 102 :GQGIGSKIIKKVAEVALD T0372 260 :QYIYIN 2beiA 121 :GCSQFR T0372 270 :L 2beiA 127 :L T0372 280 :LS 2beiA 130 :LD T0372 283 :QPVTILEKYMA 2beiA 132 :WNQRAMDLYKA Number of specific fragments extracted= 15 number of extra gaps= 1 total=490 Number of alignments=49 # 2beiA read from 2beiA/merged-good-all-a2m # found chain 2beiA in template set Warning: unaligning (T0372)D154 because first residue in template chain is (2beiA)S3 Warning: unaligning (T0372)C181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2beiA)K35 Warning: unaligning (T0372)G186 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2beiA)K35 Warning: unaligning (T0372)A203 because of BadResidue code BAD_PEPTIDE in next template residue (2beiA)N49 Warning: unaligning (T0372)L204 because of BadResidue code BAD_PEPTIDE at template residue (2beiA)N49 Warning: unaligning (T0372)N214 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2beiA)G68 T0372 155 :YEYTPITPDRIQECLDLEAEWCKVNN 2beiA 4 :VRIREAKEGDCGDILRLIRELAEFEK T0372 187 :TGNE 2beiA 36 :ISEE T0372 193 :ALIYAL 2beiA 40 :ALRADG T0372 201 :FE 2beiA 46 :FG T0372 205 :G 2beiA 50 :P T0372 206 :LTGGILHV 2beiA 52 :YHCLVAEI T0372 215 :GKIVAFTFGMPIN 2beiA 69 :PCVVGYGIYYFIY T0372 230 :TFGVHVEKADTS 2beiA 88 :TIYLEDIYVMPE T0372 242 :IDGAYAMINYEFANRIPE 2beiA 102 :GQGIGSKIIKKVAEVALD T0372 260 :QYIYIN 2beiA 121 :GCSQFR T0372 270 :L 2beiA 127 :L T0372 280 :LSYQ 2beiA 130 :LDWN T0372 285 :VTILEKYMAC 2beiA 134 :QRAMDLYKAL Number of specific fragments extracted= 13 number of extra gaps= 1 total=503 Number of alignments=50 # 2beiA read from 2beiA/merged-good-all-a2m # found chain 2beiA in template set Warning: unaligning (T0372)D154 because first residue in template chain is (2beiA)S3 Warning: unaligning (T0372)C181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2beiA)K35 Warning: unaligning (T0372)Q184 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2beiA)K35 Warning: unaligning (T0372)E202 because of BadResidue code BAD_PEPTIDE in next template residue (2beiA)N49 Warning: unaligning (T0372)A203 because of BadResidue code BAD_PEPTIDE at template residue (2beiA)N49 Warning: unaligning (T0372)N214 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2beiA)G68 T0372 155 :YEYTPITPDRIQECLDLEAEWCKVNN 2beiA 4 :VRIREAKEGDCGDILRLIRELAEFEK T0372 185 :EGTGNERRALI 2beiA 36 :ISEEALRADGF T0372 204 :LGLTGGILHV 2beiA 50 :PFYHCLVAEI T0372 216 :KIVAFTFGMPI 2beiA 70 :CVVGYGIYYFI T0372 228 :HE 2beiA 83 :TW T0372 232 :GVHVEK 2beiA 88 :TIYLED T0372 238 :ADTSI 2beiA 96 :VMPEY T0372 243 :DGAYAMINYEFANRIPE 2beiA 103 :QGIGSKIIKKVAEVALD Number of specific fragments extracted= 8 number of extra gaps= 1 total=511 Number of alignments=51 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1b6bA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1b6bA expands to /projects/compbio/data/pdb/1b6b.pdb.gz 1b6bA:# T0372 read from 1b6bA/merged-good-all-a2m # 1b6bA read from 1b6bA/merged-good-all-a2m # adding 1b6bA to template set # found chain 1b6bA in template set T0372 156 :EYTPITPDRIQECLD 1b6bA 36 :EFRCLTPEDAAGVFE T0372 178 :VNNCDQQEGT 1b6bA 56 :FISVSGNCPL T0372 190 :ERRA 1b6bA 66 :NLDE T0372 197 :ALHNFEALGLTGGILHVNGKIVAFTFGMPINHE 1b6bA 70 :VQHFLTLCPELSLGWFVEGRLVAFIIGSLWDEE T0372 230 :TFGV 1b6bA 118 :SAHL T0372 234 :HVEKADTS 1b6bA 123 :ALAVHRSF T0372 242 :IDGAYAMINYEFANRIPE 1b6bA 132 :QQGKGSVLLWRYLHHVGA T0372 260 :QYIYI 1b6bA 152 :AVRRA Number of specific fragments extracted= 8 number of extra gaps= 0 total=519 Number of alignments=52 # 1b6bA read from 1b6bA/merged-good-all-a2m # found chain 1b6bA in template set T0372 156 :EYTPITPDRIQECLD 1b6bA 36 :EFRCLTPEDAAGVFE T0372 178 :VNNCDQQEGT 1b6bA 56 :FISVSGNCPL T0372 190 :ERR 1b6bA 66 :NLD T0372 196 :YALHNFEALGLTGGILHVNGKIVAFTFGMPINHE 1b6bA 69 :EVQHFLTLCPELSLGWFVEGRLVAFIIGSLWDEE T0372 257 :IPEQYIYIN 1b6bA 112 :HRPRGHSAH T0372 270 :LG 1b6bA 121 :LH T0372 276 :RKAKLSYQPVTILEKYMACLKDHP 1b6bA 128 :RSFRQQGKGSVLLWRYLHHVGAQP Number of specific fragments extracted= 7 number of extra gaps= 0 total=526 Number of alignments=53 # 1b6bA read from 1b6bA/merged-good-all-a2m # found chain 1b6bA in template set Warning: unaligning (T0372)D154 because first residue in template chain is (1b6bA)A34 T0372 155 :YEYTPITPDRIQECLD 1b6bA 35 :NEFRCLTPEDAAGVFE T0372 180 :NCDQQ 1b6bA 58 :SVSGN T0372 197 :ALHNFEAL 1b6bA 73 :FLTLCPEL T0372 208 :GGILHVNGKIVAFTFGMPINHE 1b6bA 81 :SLGWFVEGRLVAFIIGSLWDEE T0372 232 :GVHVEKA 1b6bA 118 :SAHLHAL T0372 239 :DTSI 1b6bA 127 :HRSF T0372 243 :DGAYAMINYEFANRIPEQ 1b6bA 133 :QGKGSVLLWRYLHHVGAQ Number of specific fragments extracted= 7 number of extra gaps= 0 total=533 Number of alignments=54 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1p0hA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0372 read from 1p0hA/merged-good-all-a2m # 1p0hA read from 1p0hA/merged-good-all-a2m # found chain 1p0hA in training set Warning: unaligning (T0372)G59 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1p0hA)G74 Warning: unaligning (T0372)Y152 because of BadResidue code BAD_PEPTIDE in next template residue (1p0hA)D150 Warning: unaligning (T0372)P153 because of BadResidue code BAD_PEPTIDE at template residue (1p0hA)D150 Warning: unaligning (T0372)V213 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1p0hA)G215 T0372 2 :IPF 1p0hA 4 :LDW T0372 5 :KDITLADRDTITAFT 1p0hA 8 :SALTADEQRSVRALV T0372 20 :MKSDRRNCDLSFSNL 1p0hA 27 :AVDGVAPVGEQVLRE T0372 38 :RFLYDTQFAVID 1p0hA 42 :LGQQRTEHLLVA T0372 51 :FLVFKFW 1p0hA 62 :IGYLNLS T0372 60 :EQLAYMMPVGN 1p0hA 75 :GAMAELVVHPQ T0372 71 :GD 1p0hA 89 :RG T0372 73 :LKAVLRKLIED 1p0hA 92 :GTAMARAALAK T0372 87 :EKHNFCMLG 1p0hA 103 :TAGRNQFWA T0372 98 :SNMRADLEAI 1p0hA 112 :HGTLDPARAT T0372 127 :RSDL 1p0hA 122 :ASAL T0372 132 :TL 1p0hA 126 :GL T0372 134 :K 1p0hA 141 :R T0372 151 :T 1p0hA 142 :D T0372 154 :DYEYTPIT 1p0hA 151 :GVVIRTYA T0372 162 :PDRIQECLDLEAEWCK 1p0hA 160 :TSDDAELLRVNNAAFA T0372 179 :NNCDQQEGTGNERRALIYA 1p0hA 176 :GHPEQGGWTAVQLAERRGE T0372 199 :HNFEALGLT 1p0hA 195 :AWFDPDGLI T0372 209 :GILH 1p0hA 204 :LAFG T0372 217 :IVAFTFGMPI 1p0hA 217 :LLGFHWTKVH T0372 227 :NHETFGVHVEKADTS 1p0hA 229 :HPGLGEVYVLGVDPA T0372 242 :IDGAYAMINYEFANRI 1p0hA 246 :RRGLGQMLTSIGIVSL Number of specific fragments extracted= 22 number of extra gaps= 1 total=555 Number of alignments=55 # 1p0hA read from 1p0hA/merged-good-all-a2m # found chain 1p0hA in training set Warning: unaligning (T0372)E60 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1p0hA)G74 Warning: unaligning (T0372)Y152 because of BadResidue code BAD_PEPTIDE in next template residue (1p0hA)D150 Warning: unaligning (T0372)P153 because of BadResidue code BAD_PEPTIDE at template residue (1p0hA)D150 Warning: unaligning (T0372)N214 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1p0hA)G215 Warning: unaligning (T0372)G215 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1p0hA)G215 T0372 2 :IPF 1p0hA 4 :LDW T0372 5 :KDITLAD 1p0hA 8 :SALTADE T0372 12 :RDTITAFTMKSDRRNCDLSFSNLC 1p0hA 19 :RALVTATTAVDGVAPVGEQVLREL T0372 39 :FLYDTQFAVIDD 1p0hA 43 :GQQRTEHLLVAG T0372 51 :FLVFKF 1p0hA 62 :IGYLNL T0372 61 :QLAYMMPVG 1p0hA 78 :AELVVHPQS T0372 70 :NGD 1p0hA 88 :RRG T0372 73 :LKAVLRKLIED 1p0hA 92 :GTAMARAALAK T0372 87 :EKHNFCMLG 1p0hA 103 :TAGRNQFWA T0372 96 :VCSNMRADLEA 1p0hA 114 :TLDPARATASA T0372 108 :LPERFIFTEDRAYAD 1p0hA 125 :LGLVGVRELIQMRRP T0372 127 :RSDLATLK 1p0hA 140 :LRDIPEPT T0372 151 :T 1p0hA 148 :I T0372 154 :DYEYTPIT 1p0hA 151 :GVVIRTYA T0372 162 :PDRIQECLDLEAEWCKVNN 1p0hA 160 :TSDDAELLRVNNAAFAGHP T0372 182 :DQQEGTGNERRALIYA 1p0hA 179 :EQGGWTAVQLAERRGE T0372 199 :HNFEALGLT 1p0hA 195 :AWFDPDGLI T0372 210 :ILHV 1p0hA 204 :LAFG T0372 216 :KIVAFTFGMPIN 1p0hA 216 :RLLGFHWTKVHP T0372 228 :HETFGVHVEKADTS 1p0hA 230 :PGLGEVYVLGVDPA T0372 242 :IDGAYAMINYEFANRIPE 1p0hA 246 :RRGLGQMLTSIGIVSLAR Number of specific fragments extracted= 21 number of extra gaps= 1 total=576 Number of alignments=56 # 1p0hA read from 1p0hA/merged-good-all-a2m # found chain 1p0hA in training set Warning: unaligning (T0372)E60 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1p0hA)G74 Warning: unaligning (T0372)P153 because of BadResidue code BAD_PEPTIDE at template residue (1p0hA)D150 Warning: unaligning (T0372)G215 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1p0hA)G215 T0372 4 :FKDITLADRDTITAFTMKS 1p0hA 7 :RSALTADEQRSVRALVTAT T0372 23 :DRRNCD 1p0hA 30 :GVAPVG T0372 32 :SNLCSWRFLYDTQFAVIDD 1p0hA 36 :EQVLRELGQQRTEHLLVAG T0372 51 :FLVFKFWAG 1p0hA 61 :IIGYLNLSP T0372 62 :LAYMMPVGNGD 1p0hA 77 :MAELVVHPQSR T0372 73 :LKAVLRKLIEDADK 1p0hA 92 :GTAMARAALAKTAG T0372 88 :KHNFCMLGVCSNMRADLEAI 1p0hA 106 :RNQFWAHGTLDPARATASAL T0372 111 :RF 1p0hA 126 :GL T0372 115 :TEDRAYADYIYLRSDLATLK 1p0hA 128 :VGVRELIQMRRPLRDIPEPT T0372 154 :DYEYTPIT 1p0hA 151 :GVVIRTYA T0372 162 :PDRIQECLDLEAEWCKVNNCDQQEGTGNER 1p0hA 160 :TSDDAELLRVNNAAFAGHPEQGGWTAVQLA T0372 199 :HNFEAL 1p0hA 190 :ERRGEA T0372 205 :GLTGGIL 1p0hA 200 :DGLILAF T0372 216 :KIVAFTFGMPI 1p0hA 216 :RLLGFHWTKVH T0372 227 :NHETFGVHVEKADTSI 1p0hA 229 :HPGLGEVYVLGVDPAA T0372 243 :DGAYAMINYEFANRIPE 1p0hA 247 :RGLGQMLTSIGIVSLAR Number of specific fragments extracted= 16 number of extra gaps= 1 total=592 Number of alignments=57 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2ge3A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2ge3A expands to /projects/compbio/data/pdb/2ge3.pdb.gz 2ge3A: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 # T0372 read from 2ge3A/merged-good-all-a2m # 2ge3A read from 2ge3A/merged-good-all-a2m # adding 2ge3A to template set # found chain 2ge3A in template set Warning: unaligning (T0372)P153 because first residue in template chain is (2ge3A)D6 Warning: unaligning (T0372)V233 because of BadResidue code BAD_PEPTIDE in next template residue (2ge3A)G90 Warning: unaligning (T0372)H234 because of BadResidue code BAD_PEPTIDE at template residue (2ge3A)G90 T0372 154 :DYEYTPITPDRIQECLDLEAEWCKVNNC 2ge3A 7 :TVTIKPIRAEHVESFHRALDAVSRERKY T0372 182 :DQQEGTGNERRALIYALHN 2ge3A 38 :LEAPPLEAVRAFVLDMIEN T0372 203 :ALG 2ge3A 57 :DHP T0372 208 :GGILHVNGKIVAFTFGMPI 2ge3A 60 :QFVAIADGDVIGWCDIRRQ T0372 227 :NHE 2ge3A 80 :RAT T0372 230 :TFG 2ge3A 86 :CGT T0372 235 :VEKADTS 2ge3A 91 :MGILPAY T0372 242 :IDGAYAMINYEFANRIPE 2ge3A 99 :NKGLGARLMRRTLDAAHE T0372 260 :QYIYIN 2ge3A 118 :GLHRIE T0372 270 :LG 2ge3A 124 :LS T0372 280 :LSYQPVTILEKYM 2ge3A 126 :VHADNARAIALYE Number of specific fragments extracted= 11 number of extra gaps= 1 total=603 Number of alignments=58 # 2ge3A read from 2ge3A/merged-good-all-a2m # found chain 2ge3A in template set Warning: unaligning (T0372)P153 because first residue in template chain is (2ge3A)D6 Warning: unaligning (T0372)V233 because of BadResidue code BAD_PEPTIDE in next template residue (2ge3A)G90 Warning: unaligning (T0372)H234 because of BadResidue code BAD_PEPTIDE at template residue (2ge3A)G90 T0372 154 :DYEYTPITPDRIQECLDLEAEWCKVNNC 2ge3A 7 :TVTIKPIRAEHVESFHRALDAVSRERKY T0372 182 :DQQEGTGNE 2ge3A 36 :SFLEAPPLE T0372 193 :ALIYALHNFEALGLTGGILHVNGKIVAFTFGMPIN 2ge3A 45 :AVRAFVLDMIENDHPQFVAIADGDVIGWCDIRRQD T0372 230 :TFG 2ge3A 86 :CGT T0372 235 :VE 2ge3A 91 :MG T0372 238 :ADTS 2ge3A 93 :ILPA T0372 242 :IDGAYAMINYEFANRIPE 2ge3A 99 :NKGLGARLMRRTLDAAHE T0372 260 :QYIYIN 2ge3A 118 :GLHRIE T0372 270 :LG 2ge3A 124 :LS T0372 280 :LSYQPVTILEKYMAC 2ge3A 126 :VHADNARAIALYEKI Number of specific fragments extracted= 10 number of extra gaps= 1 total=613 Number of alignments=59 # 2ge3A read from 2ge3A/merged-good-all-a2m # found chain 2ge3A in template set Warning: unaligning (T0372)P153 because first residue in template chain is (2ge3A)D6 Warning: unaligning (T0372)V233 because of BadResidue code BAD_PEPTIDE in next template residue (2ge3A)G90 Warning: unaligning (T0372)H234 because of BadResidue code BAD_PEPTIDE at template residue (2ge3A)G90 T0372 154 :DYEYTPITPDRIQECLDLEAEWCKVNNC 2ge3A 7 :TVTIKPIRAEHVESFHRALDAVSRERKY T0372 182 :DQQEGTGNERRALIYALHN 2ge3A 38 :LEAPPLEAVRAFVLDMIEN T0372 205 :GLTGGILHVNGKIVAFTFGMPINHE 2ge3A 57 :DHPQFVAIADGDVIGWCDIRRQDRA T0372 230 :TFG 2ge3A 86 :CGT T0372 235 :VEKADTSI 2ge3A 91 :MGILPAYR T0372 243 :DGAYAMINYEFANRIPE 2ge3A 100 :KGLGARLMRRTLDAAHE T0372 260 :QY 2ge3A 118 :GL Number of specific fragments extracted= 7 number of extra gaps= 1 total=620 Number of alignments=60 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1n71A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0372 read from 1n71A/merged-good-all-a2m # 1n71A read from 1n71A/merged-good-all-a2m # found chain 1n71A in training set T0372 156 :EYTPIT 1n71A 2 :IISEFD T0372 162 :PDRIQECLDLEAEWCK 1n71A 11 :PVLKDQLSDLLRLTWP T0372 182 :DQQEGT 1n71A 27 :EEYGDS T0372 193 :AL 1n71A 33 :SA T0372 196 :YALHNFEALGLTGGILHVNGKIVAFTFGMPI 1n71A 35 :EEVEEMMNPERIAVAAVDQDELVGFIGAIPQ T0372 227 :NHETFGV 1n71A 67 :GITGWEL T0372 234 :HVEKADTS 1n71A 75 :PLVVESSR T0372 242 :IDGAYAMINYEFANRIPE 1n71A 84 :KNQIGTRLVNYLEKEVAS T0372 260 :QYIYIN 1n71A 103 :GGITIY T0372 270 :L 1n71A 109 :L Number of specific fragments extracted= 10 number of extra gaps= 0 total=630 Number of alignments=61 # 1n71A read from 1n71A/merged-good-all-a2m # found chain 1n71A in training set T0372 156 :EYTPIT 1n71A 2 :IISEFD T0372 162 :PDRIQECLDLEAEWCK 1n71A 11 :PVLKDQLSDLLRLTWP T0372 182 :DQQEGT 1n71A 27 :EEYGDS T0372 193 :ALIYALHNFEALGL 1n71A 33 :SAEEVEEMMNPERI T0372 208 :GGILHVNGKIVAFTFGMPINH 1n71A 47 :AVAAVDQDELVGFIGAIPQYG T0372 229 :ETFGVHVEKADTS 1n71A 69 :TGWELHPLVVESS T0372 242 :IDGAYAMINYEFANRIPE 1n71A 84 :KNQIGTRLVNYLEKEVAS T0372 260 :QYIYIN 1n71A 103 :GGITIY T0372 270 :LG 1n71A 109 :LG Number of specific fragments extracted= 9 number of extra gaps= 0 total=639 Number of alignments=62 # 1n71A read from 1n71A/merged-good-all-a2m # found chain 1n71A in training set Warning: unaligning (T0372)Y155 because first residue in template chain is (1n71A)M1 T0372 156 :EYTPIT 1n71A 2 :IISEFD T0372 162 :PDRIQECLDLEAEWC 1n71A 11 :PVLKDQLSDLLRLTW T0372 178 :VNNCDQQEG 1n71A 26 :PEEYGDSSA T0372 199 :HNFEAL 1n71A 35 :EEVEEM T0372 205 :GLTGGILHVNGKIVAFTFGMPINH 1n71A 44 :ERIAVAAVDQDELVGFIGAIPQYG T0372 229 :ETFGVHVEKADTSID 1n71A 69 :TGWELHPLVVESSRR T0372 244 :GAYAMINYEFANRIPE 1n71A 86 :QIGTRLVNYLEKEVAS Number of specific fragments extracted= 7 number of extra gaps= 0 total=646 Number of alignments=63 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1kuxA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1kuxA expands to /projects/compbio/data/pdb/1kux.pdb.gz 1kuxA:# T0372 read from 1kuxA/merged-good-all-a2m # 1kuxA read from 1kuxA/merged-good-all-a2m # adding 1kuxA to template set # found chain 1kuxA in template set T0372 152 :YPDYEYTPITPDRIQECLDLEAEWC 1kuxA 32 :LPANEFRCLTPEDAAGVFEIEREAF T0372 177 :KVNNC 1kuxA 59 :VSGNC T0372 186 :GTGN 1kuxA 65 :LNLD T0372 193 :ALIYALHNFEAL 1kuxA 69 :EVQHFLTLCPEL T0372 208 :GGILHVNGKIVAFTFGMPINHE 1kuxA 81 :SLGWFVEGRLVAFIIGSLWDEE T0372 230 :TFGV 1kuxA 118 :SAHL T0372 234 :HVEKADTS 1kuxA 123 :ALAVHRSF T0372 242 :IDGAYAMINYEFANRIPE 1kuxA 132 :QQGKGSVLLWRYLHHVGA T0372 260 :QYIYI 1kuxA 152 :AVRRA Number of specific fragments extracted= 9 number of extra gaps= 0 total=655 Number of alignments=64 # 1kuxA read from 1kuxA/merged-good-all-a2m # found chain 1kuxA in template set T0372 153 :PDYEYTPITPDRIQECLDLEAEWC 1kuxA 33 :PANEFRCLTPEDAAGVFEIEREAF T0372 177 :KVNN 1kuxA 58 :SVSG T0372 184 :QEGTGNE 1kuxA 62 :NCPLNLD T0372 193 :ALIYALHNFEAL 1kuxA 69 :EVQHFLTLCPEL T0372 208 :GGILHVNGKIVAFTFGMPINHE 1kuxA 81 :SLGWFVEGRLVAFIIGSLWDEE T0372 230 :TFGVHVEKADTS 1kuxA 118 :SAHLHALAVHRS T0372 242 :IDGAYAMINYEFANRIPE 1kuxA 132 :QQGKGSVLLWRYLHHVGA T0372 260 :QYIYI 1kuxA 152 :AVRRA Number of specific fragments extracted= 8 number of extra gaps= 0 total=663 Number of alignments=65 # 1kuxA read from 1kuxA/merged-good-all-a2m # found chain 1kuxA in template set Warning: unaligning (T0372)Q260 because of BadResidue code BAD_PEPTIDE in next template residue (1kuxA)P151 T0372 153 :PDYEYTPITPDRIQECLDLEAEWCKV 1kuxA 33 :PANEFRCLTPEDAAGVFEIEREAFIS T0372 180 :NCDQQEGTGNE 1kuxA 59 :VSGNCPLNLDE T0372 194 :LIYALHNFEAL 1kuxA 70 :VQHFLTLCPEL T0372 208 :GGILHVNGKIVAFTFGMPINHE 1kuxA 81 :SLGWFVEGRLVAFIIGSLWDEE T0372 230 :TFGVHVEKADTSID 1kuxA 118 :SAHLHALAVHRSFR T0372 244 :GAYAMINYEFANRIPE 1kuxA 134 :GKGSVLLWRYLHHVGA Number of specific fragments extracted= 6 number of extra gaps= 1 total=669 Number of alignments=66 # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0372//projects/compbio/experiments/protein-predict/casp7/T0372/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0372//projects/compbio/experiments/protein-predict/casp7/T0372/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0372/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0372/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((T0372)E167.CB, (T0372)I217.CB) [> 2.7765 = 4.6275 < 6.0158] w=1.0000 to align # Constraint # added constraint: constraint((T0372)T221.CB, (T0372)I249.CB) [> 2.7539 = 4.5898 < 5.9668] w=0.9981 to align # Constraint # added constraint: constraint((T0372)T221.CB, (T0372)V235.CB) [> 3.6900 = 6.1500 < 7.9950] w=0.9981 to align # Constraint # added constraint: constraint((T0372)A219.CB, (T0372)A245.CB) [> 3.4825 = 5.8042 < 7.5455] w=0.9981 to align # Constraint # added constraint: constraint((T0372)C168.CB, (T0372)F220.CB) [> 3.3472 = 5.5787 < 7.2523] w=0.9943 to align # Constraint # added constraint: constraint((T0372)I210.CB, (T0372)F220.CB) [> 3.2483 = 5.4138 < 7.0380] w=0.9828 to align # Constraint # added constraint: constraint((T0372)T221.CB, (T0372)F253.CB) [> 3.1883 = 5.3139 < 6.9081] w=0.9809 to align # Constraint # added constraint: constraint((T0372)A219.CB, (T0372)I249.CB) [> 3.7607 = 6.2678 < 8.1482] w=0.9809 to align # Constraint # added constraint: constraint((T0372)Y157.CB, (T0372)L211.CB) [> 3.5341 = 5.8902 < 7.6573] w=0.9663 to align # Constraint # added constraint: constraint((T0372)G209.CA, (T0372)F220.CB) [> 3.3237 = 5.5395 < 7.2014] w=0.9660 to align # Constraint # added constraint: constraint((T0372)Y157.CB, (T0372)E252.CB) [> 3.2058 = 5.3430 < 6.9460] w=0.9644 to align # Constraint # added constraint: constraint((T0372)A219.CB, (T0372)A238.CB) [> 2.8352 = 4.7253 < 6.1429] w=0.9628 to align # Constraint # added constraint: constraint((T0372)T158.CB, (T0372)G209.CA) [> 3.9049 = 6.5082 < 8.4606] w=0.9494 to align # Constraint # added constraint: constraint((T0372)Y157.CB, (T0372)G209.CA) [> 3.9016 = 6.5026 < 8.4534] w=0.9494 to align # Constraint # added constraint: constraint((T0372)Y157.CB, (T0372)I210.CB) [> 4.1063 = 6.8438 < 8.8969] w=0.9494 to align # Constraint # added constraint: constraint((T0372)P159.CB, (T0372)G209.CA) [> 3.6354 = 6.0591 < 7.8768] w=0.9491 to align # Constraint # added constraint: constraint((T0372)I210.CB, (T0372)A219.CB) [> 4.2189 = 7.0315 < 9.1409] w=0.9488 to align # Constraint # added constraint: constraint((T0372)G209.CA, (T0372)T221.CB) [> 3.3921 = 5.6534 < 7.3495] w=0.9488 to align # Constraint # added constraint: constraint((T0372)G223.CA, (T0372)V233.CB) [> 3.4422 = 5.7370 < 7.4581] w=0.9466 to align # Constraint # added constraint: constraint((T0372)F220.CB, (T0372)I249.CB) [> 4.3638 = 7.2730 < 9.4549] w=0.9294 to align # Constraint # added constraint: constraint((T0372)V218.CB, (T0372)A245.CB) [> 3.6209 = 6.0348 < 7.8453] w=0.9294 to align # Constraint # added constraint: constraint((T0372)V218.CB, (T0372)A238.CB) [> 3.7798 = 6.2996 < 8.1895] w=0.9285 to align # Constraint # added constraint: constraint((T0372)E156.CB, (T0372)L211.CB) [> 4.1850 = 6.9749 < 9.0674] w=0.9161 to align # Constraint # added constraint: constraint((T0372)G223.CA, (T0372)H234.CB) [> 3.4892 = 5.8153 < 7.5599] w=0.9130 to align # Constraint # added constraint: constraint((T0372)G209.CA, (T0372)I249.CB) [> 4.1799 = 6.9665 < 9.0564] w=0.9126 to align # Constraint # added constraint: constraint((T0372)F222.CB, (T0372)V235.CB) [> 3.3040 = 5.5066 < 7.1586] w=0.9084 to align # Constraint # added constraint: constraint((T0372)I160.CB, (T0372)G209.CA) [> 3.2912 = 5.4854 < 7.1310] w=0.8975 to align # Constraint # added constraint: constraint((T0372)I160.CB, (T0372)F220.CB) [> 4.2242 = 7.0403 < 9.1524] w=0.8805 to align # Constraint # added constraint: constraint((T0372)T221.CB, (T0372)N250.CB) [> 4.1126 = 6.8543 < 8.9106] w=0.8779 to align # Constraint # added constraint: constraint((T0372)F220.CB, (T0372)V235.CB) [> 4.3220 = 7.2033 < 9.3643] w=0.8768 to align # Constraint # added constraint: constraint((T0372)F220.CB, (T0372)E236.CB) [> 4.1167 = 6.8612 < 8.9195] w=0.8600 to align # Constraint # added constraint: constraint((T0372)A219.CB, (T0372)K237.CB) [> 3.0185 = 5.0309 < 6.5402] w=0.8596 to align # Constraint # added constraint: constraint((T0372)L171.CB, (T0372)I217.CB) [> 3.8651 = 6.4419 < 8.3745] w=0.8574 to align # Constraint # added constraint: constraint((T0372)L171.CB, (T0372)F220.CB) [> 3.6246 = 6.0410 < 7.8534] w=0.8574 to align # Constraint # added constraint: constraint((T0372)G223.CA, (T0372)F253.CB) [> 3.7762 = 6.2936 < 8.1817] w=0.8524 to align # Constraint # added constraint: constraint((T0372)C168.CB, (T0372)I217.CB) [> 4.0507 = 6.7512 < 8.7766] w=0.8453 to align # Constraint # added constraint: constraint((T0372)R164.CB, (T0372)I217.CB) [> 3.7817 = 6.3028 < 8.1937] w=0.8452 to align # Constraint # added constraint: constraint((T0372)V233.CB, (T0372)F253.CB) [> 3.7377 = 6.2295 < 8.0984] w=0.8425 to align # Constraint # added constraint: constraint((T0372)G223.CA, (T0372)G232.CA) [> 3.2593 = 5.4321 < 7.0617] w=0.8425 to align # Constraint # added constraint: constraint((T0372)A219.CB, (T0372)Y246.CB) [> 4.2323 = 7.0538 < 9.1699] w=0.8275 to align # Constraint # added constraint: constraint((T0372)F222.CB, (T0372)V233.CB) [> 4.3844 = 7.3074 < 9.4996] w=0.8234 to align # Constraint # added constraint: constraint((T0372)F222.CB, (T0372)H234.CB) [> 2.7583 = 4.5972 < 5.9764] w=0.8085 to align # Constraint # added constraint: constraint((T0372)T158.CB, (T0372)I210.CB) [> 3.4345 = 5.7242 < 7.4414] w=0.7961 to align # Constraint # added constraint: constraint((T0372)P159.CB, (T0372)I210.CB) [> 4.5514 = 7.5857 < 9.8614] w=0.7958 to align # Constraint # added constraint: constraint((T0372)T158.CB, (T0372)H212.CB) [> 4.1360 = 6.8932 < 8.9612] w=0.7958 to align # Constraint # added constraint: constraint((T0372)L211.CB, (T0372)A245.CB) [> 3.1790 = 5.2984 < 6.8879] w=0.7936 to align # Constraint # added constraint: constraint((T0372)L211.CB, (T0372)I249.CB) [> 3.4081 = 5.6802 < 7.3842] w=0.7933 to align # Constraint # added constraint: constraint((T0372)T221.CB, (T0372)E236.CB) [> 3.2446 = 5.4076 < 7.0299] w=0.7889 to align # Constraint # added constraint: constraint((T0372)L206.CB, (T0372)G223.CA) [> 3.6890 = 6.1483 < 7.9927] w=0.7838 to align # Constraint # added constraint: constraint((T0372)T221.CB, (T0372)V233.CB) [> 3.9211 = 6.5352 < 8.4957] w=0.7737 to align # Constraint # added constraint: constraint((T0372)R164.CB, (T0372)I210.CB) [> 3.5696 = 5.9494 < 7.7342] w=0.7613 to align # Constraint # added constraint: constraint((T0372)Y157.CB, (T0372)I249.CB) [> 3.9087 = 6.5144 < 8.4688] w=0.7587 to align # Constraint # added constraint: constraint((T0372)I160.CB, (T0372)I210.CB) [> 3.0706 = 5.1176 < 6.6529] w=0.7442 to align # Constraint # added constraint: constraint((T0372)G209.CA, (T0372)F222.CB) [> 4.4125 = 7.3542 < 9.5604] w=0.7438 to align # Constraint # added constraint: constraint((T0372)F231.CB, (T0372)I257.CB) [> 2.8142 = 4.6903 < 6.0974] w=0.7399 to align # Constraint # added constraint: constraint((T0372)W175.CB, (T0372)K237.CB) [> 3.1806 = 5.3010 < 6.8913] w=0.7390 to align # Constraint # added constraint: constraint((T0372)M224.CB, (T0372)H234.CB) [> 3.4034 = 5.6723 < 7.3740] w=0.7385 to align # Constraint # added constraint: constraint((T0372)A219.CB, (T0372)D239.CB) [> 3.5597 = 5.9328 < 7.7127] w=0.7383 to align # Constraint # added constraint: constraint((T0372)F220.CB, (T0372)K237.CB) [> 3.8492 = 6.4153 < 8.3399] w=0.7372 to align # Constraint # added constraint: constraint((T0372)A219.CB, (T0372)E236.CB) [> 3.9353 = 6.5588 < 8.5265] w=0.7369 to align # Constraint # added constraint: constraint((T0372)V218.CB, (T0372)D239.CB) [> 3.0797 = 5.1329 < 6.6728] w=0.7231 to align # Constraint # added constraint: constraint((T0372)P159.CB, (T0372)T207.CB) [> 4.0091 = 6.6818 < 8.6864] w=0.7161 to align # Constraint # added constraint: constraint((T0372)Y157.CB, (T0372)M248.CB) [> 3.4473 = 5.7455 < 7.4691] w=0.7153 to align # Constraint # added constraint: constraint((T0372)Y157.CB, (T0372)H212.CB) [> 4.5677 = 7.6129 < 9.8968] w=0.7105 to align # Constraint # added constraint: constraint((T0372)G208.CA, (T0372)T221.CB) [> 3.7597 = 6.2662 < 8.1461] w=0.7095 to align # Constraint # added constraint: constraint((T0372)G208.CA, (T0372)F220.CB) [> 3.9989 = 6.6648 < 8.6643] w=0.7095 to align # Constraint # added constraint: constraint((T0372)G208.CA, (T0372)F222.CB) [> 3.0840 = 5.1399 < 6.6819] w=0.7092 to align # Constraint # added constraint: constraint((T0372)L206.CB, (T0372)F222.CB) [> 3.7485 = 6.2475 < 8.1218] w=0.6980 to align # Constraint # added constraint: constraint((T0372)T221.CB, (T0372)E252.CB) [> 4.3254 = 7.2090 < 9.3717] w=0.6976 to align # Constraint # added constraint: constraint((T0372)I160.CB, (T0372)G208.CA) [> 2.9249 = 4.8749 < 6.3373] w=0.6929 to align # Constraint # added constraint: constraint((T0372)P159.CB, (T0372)G208.CA) [> 3.7987 = 6.3312 < 8.2306] w=0.6929 to align # Constraint # added constraint: constraint((T0372)G208.CA, (T0372)G223.CA) [> 3.7787 = 6.2979 < 8.1873] w=0.6923 to align # Constraint # added constraint: constraint((T0372)G209.CA, (T0372)E252.CB) [> 4.1680 = 6.9466 < 9.0306] w=0.6907 to align # Constraint # added constraint: constraint((T0372)L171.CB, (T0372)D239.CB) [> 3.8633 = 6.4388 < 8.3705] w=0.6854 to align # Constraint # added constraint: constraint((T0372)C168.CB, (T0372)I210.CB) [> 4.2860 = 7.1433 < 9.2863] w=0.6817 to align # Constraint # added constraint: constraint((T0372)Y155.CB, (T0372)L211.CB) [> 3.6958 = 6.1597 < 8.0076] w=0.6742 to align # Constraint # added constraint: constraint((T0372)T207.CB, (T0372)G223.CA) [> 3.4979 = 5.8298 < 7.5787] w=0.6686 to align # Constraint # added constraint: constraint((T0372)T207.CB, (T0372)F222.CB) [> 4.1411 = 6.9019 < 8.9725] w=0.6679 to align # Constraint # added constraint: constraint((T0372)Y155.CB, (T0372)H212.CB) [> 4.1207 = 6.8679 < 8.9283] w=0.6570 to align # Constraint # added constraint: constraint((T0372)F222.CB, (T0372)E236.CB) [> 4.1539 = 6.9231 < 9.0000] w=0.6503 to align # Constraint # added constraint: constraint((T0372)E174.CB, (T0372)D239.CB) [> 3.7030 = 6.1716 < 8.0231] w=0.6353 to align # Constraint # added constraint: constraint((T0372)G232.CA, (T0372)I264.CB) [> 3.7244 = 6.2073 < 8.0694] w=0.6195 to align # Constraint # added constraint: constraint((T0372)T230.CB, (T0372)Y261.CB) [> 3.6698 = 6.1164 < 7.9513] w=0.6189 to align # Constraint # added constraint: constraint((T0372)F231.CB, (T0372)Y261.CB) [> 2.9252 = 4.8754 < 6.3380] w=0.6185 to align # Constraint # added constraint: constraint((T0372)G209.CA, (T0372)F253.CB) [> 4.2868 = 7.1447 < 9.2881] w=0.6063 to align # Constraint # added constraint: constraint((T0372)T230.CB, (T0372)Y263.CB) [> 3.0946 = 5.1577 < 6.7050] w=0.6019 to align # Constraint # added constraint: constraint((T0372)E236.CB, (T0372)Y246.CB) [> 3.9241 = 6.5401 < 8.5021] w=0.6001 to align # Constraint # added constraint: constraint((T0372)E236.CB, (T0372)N250.CB) [> 4.0693 = 6.7821 < 8.8167] w=0.5833 to align # Constraint # added constraint: constraint((T0372)E172.CB, (T0372)K237.CB) [> 3.9142 = 6.5236 < 8.4807] w=0.5828 to align # Constraint # added constraint: constraint((T0372)T207.CB, (T0372)R256.CB) [> 3.8152 = 6.3587 < 8.2664] w=0.5790 to align # Constraint # added constraint: constraint((T0372)Y155.CB, (T0372)V213.CB) [> 3.4536 = 5.7560 < 7.4828] w=0.5713 to align # Constraint # added constraint: constraint((T0372)G223.CA, (T0372)V235.CB) [> 4.2701 = 7.1168 < 9.2519] w=0.5686 to align # Constraint # added constraint: constraint((T0372)E167.CB, (T0372)K216.CB) [> 4.2087 = 7.0145 < 9.1188] w=0.5671 to align # Constraint # added constraint: constraint((T0372)Y155.CB, (T0372)A245.CB) [> 3.8843 = 6.4739 < 8.4160] w=0.5639 to align # Constraint # added constraint: constraint((T0372)L206.CB, (T0372)M224.CB) [> 3.3520 = 5.5867 < 7.2627] w=0.5619 to align # Constraint # added constraint: constraint((T0372)I165.CB, (T0372)I195.CB) [> 3.3962 = 5.6603 < 7.3584] w=0.5510 to align # Constraint # added constraint: constraint((T0372)F231.CB, (T0372)Y263.CB) [> 4.2086 = 7.0143 < 9.1186] w=0.5501 to align # Constraint # added constraint: constraint((T0372)L169.CB, (T0372)G186.CA) [> 3.9825 = 6.6376 < 8.6288] w=0.5499 to align # Constraint # added constraint: constraint((T0372)E172.CB, (T0372)V235.CB) [> 4.1935 = 6.9892 < 9.0860] w=0.5486 to align # Constraint # added constraint: constraint((T0372)I160.CB, (T0372)T207.CB) [> 4.0355 = 6.7259 < 8.7436] w=0.5465 to align # Constraint # added constraint: constraint((T0372)V218.CB, (T0372)S241.CB) [> 3.9398 = 6.5663 < 8.5362] w=0.5359 to align # Constraint # added constraint: constraint((T0372)T230.CB, (T0372)I262.CB) [> 4.0901 = 6.8169 < 8.8620] w=0.5337 to align # Constraint # added constraint: constraint((T0372)V233.CB, (T0372)I264.CB) [> 3.6669 = 6.1115 < 7.9450] w=0.5335 to align # Constraint # added constraint: constraint((T0372)T230.CB, (T0372)I264.CB) [> 4.1885 = 6.9808 < 9.0750] w=0.5171 to align # Constraint # added constraint: constraint((T0372)F231.CB, (T0372)I264.CB) [> 2.8373 = 4.7289 < 6.1475] w=0.5164 to align # Constraint # added constraint: constraint((T0372)L169.CB, (T0372)T187.CB) [> 3.9283 = 6.5471 < 8.5112] w=0.5159 to align # Constraint # added constraint: constraint((T0372)G232.CA, (T0372)I257.CB) [> 4.3308 = 7.2181 < 9.3835] w=0.5127 to align # Constraint # added constraint: constraint((T0372)Y155.CB, (T0372)M248.CB) [> 3.8854 = 6.4756 < 8.4183] w=0.5124 to align # Constraint # added constraint: constraint((T0372)V218.CB, (T0372)I242.CB) [> 2.7588 = 4.5980 < 5.9773] w=0.4819 to align # Constraint # added constraint: constraint((T0372)G232.CA, (T0372)N265.CB) [> 3.1088 = 5.1812 < 6.7356] w=0.4775 to align # Constraint # added constraint: constraint((T0372)A219.CB, (T0372)I242.CB) [> 4.0588 = 6.7646 < 8.7940] w=0.4648 to align # Constraint # added constraint: constraint((T0372)Y155.CB, (T0372)V218.CB) [> 4.1634 = 6.9390 < 9.0206] w=0.4615 to align # Constraint # added constraint: constraint((T0372)W175.CB, (T0372)A238.CB) [> 4.0716 = 6.7860 < 8.8217] w=0.4485 to align # Constraint # added constraint: constraint((T0372)E167.CB, (T0372)I210.CB) [> 4.1772 = 6.9620 < 9.0507] w=0.4434 to align # Constraint # added constraint: constraint((T0372)F231.CB, (T0372)N265.CB) [> 4.0619 = 6.7699 < 8.8009] w=0.4432 to align # Constraint # added constraint: constraint((T0372)E172.CB, (T0372)F220.CB) [> 4.3815 = 7.3026 < 9.4934] w=0.4429 to align # Constraint # added constraint: constraint((T0372)I165.CB, (T0372)L198.CB) [> 3.6296 = 6.0494 < 7.8642] w=0.4370 to align # Constraint # added constraint: constraint((T0372)I165.CB, (T0372)L194.CB) [> 3.4838 = 5.8063 < 7.5482] w=0.4308 to align # Constraint # added constraint: constraint((T0372)T221.CB, (T0372)K237.CB) [> 4.4882 = 7.4803 < 9.7244] w=0.4284 to align # Constraint # added constraint: constraint((T0372)L204.CB, (T0372)P225.CB) [> 4.0252 = 6.7086 < 8.7212] w=0.4218 to align # Constraint # added constraint: constraint((T0372)W175.CB, (T0372)D239.CB) [> 3.8079 = 6.3465 < 8.2505] w=0.4153 to align # Constraint # added constraint: constraint((T0372)I165.CB, (T0372)R191.CB) [> 3.4641 = 5.7735 < 7.5055] w=0.4091 to align # Constraint # added constraint: constraint((T0372)G205.CA, (T0372)M224.CB) [> 3.7232 = 6.2053 < 8.0669] w=0.3916 to align # Constraint # added constraint: constraint((T0372)V233.CB, (T0372)N265.CB) [> 4.3747 = 7.2912 < 9.4786] w=0.3915 to align # Constraint # added constraint: constraint((T0372)L206.CB, (T0372)P225.CB) [> 4.1577 = 6.9295 < 9.0083] w=0.3764 to align # Constraint # added constraint: constraint((T0372)L169.CB, (T0372)R191.CB) [> 3.6241 = 6.0402 < 7.8522] w=0.3750 to align # Constraint # added constraint: constraint((T0372)L204.CB, (T0372)G223.CA) [> 3.1297 = 5.2162 < 6.7811] w=0.3703 to align # Constraint # added constraint: constraint((T0372)L204.CB, (T0372)M224.CB) [> 3.6146 = 6.0243 < 7.8316] w=0.3695 to align # Constraint # added constraint: constraint((T0372)L169.CB, (T0372)L194.CB) [> 3.3764 = 5.6273 < 7.3155] w=0.3624 to align # Constraint # added constraint: constraint((T0372)T221.CB, (T0372)H234.CB) [> 4.1601 = 6.9335 < 9.0135] w=0.3621 to align # Constraint # added constraint: constraint((T0372)C176.CB, (T0372)K237.CB) [> 4.1188 = 6.8646 < 8.9240] w=0.3616 to align # Constraint # added constraint: constraint((T0372)G223.CA, (T0372)I257.CB) [> 4.0424 = 6.7374 < 8.7586] w=0.3578 to align # Constraint # added constraint: constraint((T0372)C168.CB, (T0372)L194.CB) [> 3.7917 = 6.3194 < 8.2153] w=0.3459 to align # Constraint # added constraint: constraint((T0372)W175.CB, (T0372)A219.CB) [> 4.0395 = 6.7324 < 8.7521] w=0.3253 to align # Constraint # added constraint: constraint((T0372)T207.CB, (T0372)T221.CB) [> 3.5187 = 5.8646 < 7.6239] w=0.3246 to align # Constraint # added constraint: constraint((T0372)G205.CA, (T0372)P225.CB) [> 3.2559 = 5.4265 < 7.0544] w=0.3241 to align # Constraint # added constraint: constraint((T0372)R164.CB, (T0372)F220.CB) [> 4.5772 = 7.6286 < 9.9172] w=0.3188 to align # Constraint # added constraint: constraint((T0372)I160.CB, (T0372)L198.CB) [> 3.8054 = 6.3424 < 8.2451] w=0.3142 to align # Constraint # added constraint: constraint((T0372)F201.CB, (T0372)M224.CB) [> 3.7406 = 6.2343 < 8.1046] w=0.2983 to align # Constraint # added constraint: constraint((T0372)I160.CB, (T0372)E202.CB) [> 3.9334 = 6.5556 < 8.5223] w=0.2983 to align # Constraint # added constraint: constraint((T0372)I217.CB, (T0372)D239.CB) [> 4.3749 = 7.2916 < 9.4791] w=0.2963 to align # Constraint # added constraint: constraint((T0372)I160.CB, (T0372)F201.CB) [> 4.3044 = 7.1741 < 9.3263] w=0.2940 to align # Constraint # added constraint: constraint((T0372)I226.CB, (T0372)N265.CB) [> 3.9069 = 6.5116 < 8.4650] w=0.2913 to align # Constraint # added constraint: constraint((T0372)F231.CB, (T0372)F253.CB) [> 3.9740 = 6.6233 < 8.6103] w=0.2904 to align # Constraint # added constraint: constraint((T0372)Y246.CB, (T0372)K290.CB) [> 3.6204 = 6.0339 < 7.8441] w=0.2901 to align # Constraint # added constraint: constraint((T0372)E229.CB, (T0372)Y263.CB) [> 3.4760 = 5.7933 < 7.5313] w=0.2893 to align # Constraint # added constraint: constraint((T0372)D154.CB, (T0372)V213.CB) [> 4.1192 = 6.8653 < 8.9249] w=0.2794 to align # Constraint # added constraint: constraint((T0372)V218.CB, (T0372)K237.CB) [> 4.0345 = 6.7241 < 8.7413] w=0.2763 to align # Constraint # added constraint: constraint((T0372)L169.CB, (T0372)E190.CB) [> 3.1192 = 5.1987 < 6.7583] w=0.2761 to align # Constraint # added constraint: constraint((T0372)E172.CB, (T0372)E236.CB) [> 3.6433 = 6.0722 < 7.8939] w=0.2753 to align # Constraint # added constraint: constraint((T0372)V235.CB, (T0372)F253.CB) [> 4.0293 = 6.7155 < 8.7302] w=0.2751 to align # Constraint # added constraint: constraint((T0372)A219.CB, (T0372)V235.CB) [> 4.1201 = 6.8669 < 8.9269] w=0.2746 to align # Constraint # added constraint: constraint((T0372)T207.CB, (T0372)F220.CB) [> 4.0129 = 6.6882 < 8.6947] w=0.2734 to align # Constraint # added constraint: constraint((T0372)C168.CB, (T0372)G208.CA) [> 4.3067 = 7.1778 < 9.3312] w=0.2724 to align # Constraint # added constraint: constraint((T0372)L194.CB, (T0372)F222.CB) [> 3.9198 = 6.5330 < 8.4929] w=0.2623 to align # Constraint # added constraint: constraint((T0372)I160.CB, (T0372)G205.CA) [> 4.4705 = 7.4509 < 9.6862] w=0.2604 to align # Constraint # added constraint: constraint((T0372)F231.CB, (T0372)A254.CB) [> 4.6162 = 7.6937 < 10.0018] w=0.2588 to align # Constraint # added constraint: constraint((T0372)V233.CB, (T0372)I257.CB) [> 3.5342 = 5.8903 < 7.6574] w=0.2579 to align # Constraint # added constraint: constraint((T0372)G205.CA, (T0372)F222.CB) [> 4.0633 = 6.7722 < 8.8038] w=0.2425 to align # Constraint # added constraint: constraint((T0372)I160.CB, (T0372)L206.CB) [> 2.4263 = 4.0438 < 5.2569] w=0.2395 to align # Constraint # added constraint: constraint((T0372)G205.CA, (T0372)G223.CA) [> 3.3347 = 5.5579 < 7.2252] w=0.2387 to align # Constraint # added constraint: constraint((T0372)F201.CB, (T0372)G223.CA) [> 3.7251 = 6.2086 < 8.0711] w=0.2295 to align # Constraint # added constraint: constraint((T0372)C168.CB, (T0372)F222.CB) [> 4.2152 = 7.0253 < 9.1329] w=0.2275 to align # Constraint # added constraint: constraint((T0372)F201.CB, (T0372)F222.CB) [> 3.4897 = 5.8161 < 7.5609] w=0.2253 to align # Constraint # added constraint: constraint((T0372)C168.CB, (T0372)R191.CB) [> 4.0580 = 6.7633 < 8.7923] w=0.2217 to align # Constraint # added constraint: constraint((T0372)I160.CB, (T0372)F222.CB) [> 4.4577 = 7.4294 < 9.6583] w=0.2171 to align # Constraint # added constraint: constraint((T0372)L198.CB, (T0372)F222.CB) [> 4.5087 = 7.5145 < 9.7688] w=0.2113 to align # Constraint # added constraint: constraint((T0372)C168.CB, (T0372)E190.CB) [> 4.2389 = 7.0649 < 9.1844] w=0.2078 to align # Constraint # added constraint: constraint((T0372)E172.CB, (T0372)C181.CB) [> 3.7795 = 6.2992 < 8.1889] w=0.2067 to align # Constraint # added constraint: constraint((T0372)V213.CB, (T0372)A245.CB) [> 4.1707 = 6.9511 < 9.0365] w=0.2059 to align # Constraint # added constraint: constraint((T0372)F45.CB, (T0372)F54.CB) [> 3.8475 = 6.4126 < 8.3364] w=0.2058 to align # Constraint # added constraint: constraint((T0372)V178.CB, (T0372)D239.CB) [> 4.0609 = 6.7681 < 8.7985] w=0.2054 to align # Constraint # added constraint: constraint((T0372)L62.CB, (T0372)F91.CB) [> 3.9300 = 6.5499 < 8.5149] w=0.2047 to align # Constraint # added constraint: constraint((T0372)T43.CB, (T0372)F56.CB) [> 3.6968 = 6.1613 < 8.0097] w=0.2046 to align # Constraint # added constraint: constraint((T0372)C168.CB, (T0372)L198.CB) [> 4.1809 = 6.9681 < 9.0586] w=0.2036 to align # Constraint # added constraint: constraint((T0372)R164.CB, (T0372)H212.CB) [> 4.5275 = 7.5458 < 9.8096] w=0.2035 to align # Constraint # added constraint: constraint((T0372)E156.CB, (T0372)G215.CA) [> 4.3377 = 7.2295 < 9.3984] w=0.1999 to align # Constraint # added constraint: constraint((T0372)T187.CB, (T0372)Y196.CB) [> 3.6297 = 6.0495 < 7.8643] w=0.1901 to align # Constraint # added constraint: constraint((T0372)I48.CB, (T0372)V76.CB) [> 3.9821 = 6.6368 < 8.6278] w=0.1886 to align # Constraint # added constraint: constraint((T0372)I7.CB, (T0372)F45.CB) [> 3.2431 = 5.4052 < 7.0268] w=0.1886 to align # Constraint # added constraint: constraint((T0372)V213.CB, (T0372)I242.CB) [> 4.2803 = 7.1338 < 9.2740] w=0.1886 to align # Constraint # added constraint: constraint((T0372)L280.CB, (T0372)Y291.CB) [> 4.1521 = 6.9202 < 8.9962] w=0.1882 to align # Constraint # added constraint: constraint((T0372)L52.CB, (T0372)P67.CB) [> 3.7359 = 6.2265 < 8.0945] w=0.1882 to align # Constraint # added constraint: constraint((T0372)C168.CB, (T0372)I195.CB) [> 4.2566 = 7.0943 < 9.2227] w=0.1879 to align # Constraint # added constraint: constraint((T0372)G209.CA, (T0372)A219.CB) [> 3.9364 = 6.5607 < 8.5289] w=0.1876 to align # Constraint # added constraint: constraint((T0372)T43.CB, (T0372)K55.CB) [> 3.5360 = 5.8934 < 7.6614] w=0.1875 to align # Constraint # added constraint: constraint((T0372)L62.CB, (T0372)C92.CB) [> 3.4157 = 5.6929 < 7.4007] w=0.1875 to align # Constraint # added constraint: constraint((T0372)A63.CB, (T0372)M93.CB) [> 3.4796 = 5.7994 < 7.5392] w=0.1875 to align # Constraint # added constraint: constraint((T0372)T158.CB, (T0372)L211.CB) [> 3.9936 = 6.6560 < 8.6528] w=0.1874 to align # Constraint # added constraint: constraint((T0372)Y157.CB, (T0372)Y251.CB) [> 4.6123 = 7.6872 < 9.9933] w=0.1870 to align # Constraint # added constraint: constraint((T0372)L198.CB, (T0372)G208.CA) [> 4.3485 = 7.2474 < 9.4217] w=0.1769 to align # Constraint # added constraint: constraint((T0372)L204.CB, (T0372)F231.CB) [> 4.0786 = 6.7977 < 8.8370] w=0.1762 to align # Constraint # added constraint: constraint((T0372)E172.CB, (T0372)Q184.CB) [> 3.4982 = 5.8304 < 7.5795] w=0.1727 to align # Constraint # added constraint: constraint((T0372)A63.CB, (T0372)F91.CB) [> 3.2882 = 5.4804 < 7.1245] w=0.1716 to align # Constraint # added constraint: constraint((T0372)A46.CB, (T0372)L80.CB) [> 4.3594 = 7.2657 < 9.4454] w=0.1715 to align # Constraint # added constraint: constraint((T0372)G186.CA, (T0372)I195.CB) [> 3.7327 = 6.2212 < 8.0875] w=0.1714 to align # Constraint # added constraint: constraint((T0372)E172.CB, (T0372)L194.CB) [> 4.1736 = 6.9561 < 9.0429] w=0.1708 to align # Constraint # added constraint: constraint((T0372)T158.CB, (T0372)T207.CB) [> 4.3689 = 7.2814 < 9.4658] w=0.1707 to align # Constraint # added constraint: constraint((T0372)Y157.CB, (T0372)T207.CB) [> 3.5899 = 5.9832 < 7.7782] w=0.1707 to align # Constraint # added constraint: constraint((T0372)A197.CB, (T0372)L206.CB) [> 3.8099 = 6.3499 < 8.2549] w=0.1706 to align # Constraint # added constraint: constraint((T0372)A63.CB, (T0372)C92.CB) [> 4.3586 = 7.2643 < 9.4436] w=0.1703 to align # Constraint # added constraint: constraint((T0372)L62.CB, (T0372)M93.CB) [> 4.4475 = 7.4125 < 9.6362] w=0.1703 to align # Constraint # added constraint: constraint((T0372)G232.CA, (T0372)L270.CB) [> 3.6439 = 6.0731 < 7.8950] w=0.1694 to align # Constraint # added constraint: constraint((T0372)T161.CB, (T0372)L198.CB) [> 4.1946 = 6.9910 < 9.0883] w=0.1618 to align # Constraint # added constraint: constraint((T0372)F220.CB, (T0372)H234.CB) [> 4.4475 = 7.4125 < 9.6363] w=0.1569 to align # Constraint # added constraint: constraint((T0372)L169.CB, (T0372)Q184.CB) [> 3.9349 = 6.5581 < 8.5255] w=0.1554 to align # Constraint # added constraint: constraint((T0372)E172.CB, (T0372)H234.CB) [> 4.2541 = 7.0902 < 9.2173] w=0.1550 to align # Constraint # added constraint: constraint((T0372)F51.CB, (T0372)G69.CA) [> 4.0365 = 6.7275 < 8.7457] w=0.1539 to align # Constraint # added constraint: constraint((T0372)Y64.CB, (T0372)G95.CA) [> 4.1419 = 6.9032 < 8.9742] w=0.1533 to align # Constraint # added constraint: constraint((T0372)Y64.CB, (T0372)L94.CB) [> 3.0587 = 5.0979 < 6.6273] w=0.1533 to align # Constraint # added constraint: constraint((T0372)E172.CB, (T0372)E190.CB) [> 3.5024 = 5.8374 < 7.5886] w=0.1532 to align # Constraint # added constraint: constraint((T0372)V53.CB, (T0372)M66.CB) [> 3.8861 = 6.4769 < 8.4199] w=0.1532 to align # Constraint # added constraint: constraint((T0372)V53.CB, (T0372)P67.CB) [> 3.6706 = 6.1176 < 7.9529] w=0.1532 to align # Constraint # added constraint: constraint((T0372)V53.CB, (T0372)V76.CB) [> 4.0919 = 6.8199 < 8.8659] w=0.1531 to align # Constraint # added constraint: constraint((T0372)F54.CB, (T0372)Y64.CB) [> 3.6851 = 6.1419 < 7.9845] w=0.1531 to align # Constraint # added constraint: constraint((T0372)Q44.CB, (T0372)D83.CB) [> 4.3413 = 7.2355 < 9.4061] w=0.1530 to align # Constraint # added constraint: constraint((T0372)I210.CB, (T0372)T221.CB) [> 4.6774 = 7.7956 < 10.1343] w=0.1421 to align # Constraint # added constraint: constraint((T0372)K216.CB, (T0372)D239.CB) [> 4.6880 = 7.8133 < 10.1573] w=0.1408 to align # Constraint # added constraint: constraint((T0372)Q44.CB, (T0372)K55.CB) [> 3.6353 = 6.0588 < 7.8764] w=0.1372 to align # Constraint # added constraint: constraint((T0372)L52.CB, (T0372)M66.CB) [> 3.9613 = 6.6021 < 8.5828] w=0.1372 to align # Constraint # added constraint: constraint((T0372)Y155.CB, (T0372)I210.CB) [> 3.2480 = 5.4134 < 7.0374] w=0.1371 to align # Constraint # added constraint: constraint((T0372)A278.CB, (T0372)Y291.CB) [> 3.8488 = 6.4146 < 8.3390] w=0.1371 to align # Constraint # added constraint: constraint((T0372)A46.CB, (T0372)K79.CB) [> 3.7057 = 6.1761 < 8.0290] w=0.1371 to align # Constraint # added constraint: constraint((T0372)F18.CB, (T0372)M66.CB) [> 4.0579 = 6.7631 < 8.7920] w=0.1370 to align # Constraint # added constraint: constraint((T0372)C181.CB, (T0372)E236.CB) [> 4.0738 = 6.7896 < 8.8265] w=0.1366 to align # Constraint # added constraint: constraint((T0372)L52.CB, (T0372)V68.CB) [> 3.4759 = 5.7931 < 7.5310] w=0.1366 to align # Constraint # added constraint: constraint((T0372)I195.CB, (T0372)L206.CB) [> 3.9296 = 6.5493 < 8.5141] w=0.1366 to align # Constraint # added constraint: constraint((T0372)G232.CA, (T0372)Y261.CB) [> 3.6711 = 6.1185 < 7.9541] w=0.1366 to align # Constraint # added constraint: constraint((T0372)V53.CB, (T0372)M65.CB) [> 3.6032 = 6.0053 < 7.8069] w=0.1365 to align # Constraint # added constraint: constraint((T0372)F51.CB, (T0372)V68.CB) [> 3.6867 = 6.1445 < 7.9879] w=0.1365 to align # Constraint # added constraint: constraint((T0372)I210.CB, (T0372)M248.CB) [> 4.2293 = 7.0489 < 9.1635] w=0.1361 to align # Constraint # added constraint: constraint((T0372)A63.CB, (T0372)L94.CB) [> 3.9932 = 6.6554 < 8.6520] w=0.1361 to align # Constraint # added constraint: constraint((T0372)Y64.CB, (T0372)M93.CB) [> 4.4103 = 7.3505 < 9.5556] w=0.1361 to align # Constraint # added constraint: constraint((T0372)K55.CB, (T0372)Y64.CB) [> 3.6296 = 6.0494 < 7.8642] w=0.1360 to align # Constraint # added constraint: constraint((T0372)Y155.CB, (T0372)D243.CB) [> 4.1910 = 6.9851 < 9.0806] w=0.1356 to align # Constraint # added constraint: constraint((T0372)L169.CB, (T0372)A197.CB) [> 3.6226 = 6.0377 < 7.8490] w=0.1356 to align # Constraint # added constraint: constraint((T0372)V233.CB, (T0372)L270.CB) [> 2.4911 = 4.1519 < 5.3975] w=0.1350 to align # Constraint # added constraint: constraint((T0372)C168.CB, (T0372)V235.CB) [> 4.4473 = 7.4122 < 9.6359] w=0.1233 to align # Constraint # added constraint: constraint((T0372)I217.CB, (T0372)A238.CB) [> 4.1526 = 6.9209 < 8.9972] w=0.1232 to align # Constraint # added constraint: constraint((T0372)P225.CB, (T0372)H234.CB) [> 4.3274 = 7.2124 < 9.3761] w=0.1215 to align # Constraint # added constraint: constraint((T0372)G223.CA, (T0372)E236.CB) [> 2.9999 = 4.9998 < 6.4998] w=0.1213 to align # Constraint # added constraint: constraint((T0372)F222.CB, (T0372)K237.CB) [> 2.7315 = 4.5526 < 5.9183] w=0.1213 to align # Constraint # added constraint: constraint((T0372)F51.CB, (T0372)P67.CB) [> 3.2084 = 5.3474 < 6.9516] w=0.1202 to align # Constraint # added constraint: constraint((T0372)I7.CB, (T0372)V47.CB) [> 4.1243 = 6.8738 < 8.9360] w=0.1201 to align # Constraint # added constraint: constraint((T0372)L130.CB, (T0372)A254.CB) [> 3.3385 = 5.5641 < 7.2333] w=0.1201 to align # Constraint # added constraint: constraint((T0372)I160.CB, (T0372)A203.CB) [> 2.7940 = 4.6567 < 6.0536] w=0.1201 to align # Constraint # added constraint: constraint((T0372)T43.CB, (T0372)W57.CB) [> 3.7699 = 6.2832 < 8.1681] w=0.1201 to align # Constraint # added constraint: constraint((T0372)D6.CB, (T0372)F45.CB) [> 4.2784 = 7.1307 < 9.2699] w=0.1201 to align # Constraint # added constraint: constraint((T0372)L62.CB, (T0372)L94.CB) [> 3.3285 = 5.5475 < 7.2117] w=0.1200 to align # Constraint # added constraint: constraint((T0372)F54.CB, (T0372)A63.CB) [> 3.4362 = 5.7269 < 7.4450] w=0.1200 to align # Constraint # added constraint: constraint((T0372)L52.CB, (T0372)M65.CB) [> 3.7796 = 6.2993 < 8.1890] w=0.1200 to align # Constraint # added constraint: constraint((T0372)K74.CB, (T0372)I107.CB) [> 3.9133 = 6.5222 < 8.4789] w=0.1200 to align # Constraint # added constraint: constraint((T0372)L34.CB, (T0372)T43.CB) [> 3.3599 = 5.5999 < 7.2799] w=0.1200 to align # Constraint # added constraint: constraint((T0372)L77.CB, (T0372)I107.CB) [> 4.0855 = 6.8091 < 8.8519] w=0.1199 to align # Constraint # added constraint: constraint((T0372)F231.CB, (T0372)Q260.CB) [> 4.2250 = 7.0416 < 9.1541] w=0.1198 to align # Constraint # added constraint: constraint((T0372)N265.CB, (T0372)K279.CB) [> 4.4278 = 7.3797 < 9.5936] w=0.1198 to align # Constraint # added constraint: constraint((T0372)N265.CB, (T0372)A278.CB) [> 3.2947 = 5.4911 < 7.1385] w=0.1198 to align # Constraint # added constraint: constraint((T0372)I264.CB, (T0372)A278.CB) [> 4.3030 = 7.1717 < 9.3232] w=0.1198 to align # Constraint # added constraint: constraint((T0372)C181.CB, (T0372)P284.CB) [> 3.7736 = 6.2892 < 8.1760] w=0.1195 to align # Constraint # added constraint: constraint((T0372)L52.CB, (T0372)V76.CB) [> 3.6879 = 6.1465 < 7.9904] w=0.1194 to align # Constraint # added constraint: constraint((T0372)F54.CB, (T0372)M66.CB) [> 3.6257 = 6.0428 < 7.8556] w=0.1189 to align # Constraint # added constraint: constraint((T0372)C168.CB, (T0372)F201.CB) [> 4.0851 = 6.8086 < 8.8512] w=0.1188 to align # Constraint # added constraint: constraint((T0372)F54.CB, (T0372)L80.CB) [> 3.5656 = 5.9426 < 7.7254] w=0.1188 to align # Constraint # added constraint: constraint((T0372)A197.CB, (T0372)H234.CB) [> 3.4819 = 5.8031 < 7.5441] w=0.1079 to align # Constraint # added constraint: constraint((T0372)P153.CB, (T0372)N214.CB) [> 4.2568 = 7.0947 < 9.2232] w=0.1079 to align # Constraint # added constraint: constraint((T0372)V218.CB, (T0372)T240.CB) [> 4.1087 = 6.8479 < 8.9023] w=0.1063 to align # Constraint # added constraint: constraint((T0372)C176.CB, (T0372)E236.CB) [> 4.6179 = 7.6965 < 10.0055] w=0.1044 to align # Constraint # added constraint: constraint((T0372)G223.CA, (T0372)K237.CB) [> 4.6282 = 7.7137 < 10.0278] w=0.1043 to align # Constraint # added constraint: constraint((T0372)G223.CA, (T0372)I264.CB) [> 4.4995 = 7.4992 < 9.7490] w=0.1038 to align # Constraint # added constraint: constraint((T0372)C176.CB, (T0372)G186.CA) [> 3.9166 = 6.5276 < 8.4859] w=0.1036 to align # Constraint # added constraint: constraint((T0372)L169.CB, (T0372)N189.CB) [> 3.0830 = 5.1383 < 6.6798] w=0.1035 to align # Constraint # added constraint: constraint((T0372)L270.CB, (T0372)Y291.CB) [> 4.2081 = 7.0135 < 9.1176] w=0.1034 to align # Constraint # added constraint: constraint((T0372)C168.CB, (T0372)E236.CB) [> 4.0760 = 6.7934 < 8.8314] w=0.1031 to align # Constraint # added constraint: constraint((T0372)R127.CB, (T0372)P258.CB) [> 3.3438 = 5.5730 < 7.2449] w=0.1030 to align # Constraint # added constraint: constraint((T0372)Y155.CB, (T0372)A219.CB) [> 4.2850 = 7.1417 < 9.2843] w=0.1029 to align # Constraint # added constraint: constraint((T0372)M93.CB, (T0372)L104.CB) [> 4.0764 = 6.7941 < 8.8323] w=0.1029 to align # Constraint # added constraint: constraint((T0372)L133.CB, (T0372)N255.CB) [> 3.3803 = 5.6339 < 7.3240] w=0.1029 to align # Constraint # added constraint: constraint((T0372)M65.CB, (T0372)L77.CB) [> 3.9699 = 6.6165 < 8.6015] w=0.1028 to align # Constraint # added constraint: constraint((T0372)C27.CB, (T0372)Y64.CB) [> 3.2501 = 5.4168 < 7.0419] w=0.1027 to align # Constraint # added constraint: constraint((T0372)F4.CB, (T0372)A46.CB) [> 3.8223 = 6.3706 < 8.2817] w=0.1027 to align # Constraint # added constraint: constraint((T0372)G232.CA, (T0372)I262.CB) [> 3.8415 = 6.4025 < 8.3233] w=0.1027 to align # Constraint # added constraint: constraint((T0372)N26.CB, (T0372)Y64.CB) [> 3.7306 = 6.2176 < 8.0829] w=0.1027 to align # Constraint # added constraint: constraint((T0372)A63.CB, (T0372)L77.CB) [> 4.2446 = 7.0744 < 9.1967] w=0.1027 to align # Constraint # added constraint: constraint((T0372)A63.CB, (T0372)L80.CB) [> 3.3806 = 5.6343 < 7.3246] w=0.1027 to align # Constraint # added constraint: constraint((T0372)L211.CB, (T0372)I242.CB) [> 4.6489 = 7.7482 < 10.0726] w=0.1024 to align # Constraint # added constraint: constraint((T0372)K21.CB, (T0372)V68.CB) [> 4.2538 = 7.0897 < 9.2166] w=0.1023 to align # Constraint # added constraint: constraint((T0372)F18.CB, (T0372)L52.CB) [> 4.0003 = 6.6672 < 8.6674] w=0.1023 to align # Constraint # added constraint: constraint((T0372)N26.CB, (T0372)M66.CB) [> 2.7917 = 4.6529 < 6.0488] w=0.1022 to align # Constraint # added constraint: constraint((T0372)T43.CB, (T0372)F54.CB) [> 3.9098 = 6.5164 < 8.4713] w=0.1019 to align # Constraint # added constraint: constraint((T0372)D42.CB, (T0372)W57.CB) [> 3.9245 = 6.5408 < 8.5030] w=0.1018 to align # Constraint # added constraint: constraint((T0372)F56.CB, (T0372)L80.CB) [> 3.6890 = 6.1484 < 7.9929] w=0.1016 to align # Constraint # added constraint: constraint((T0372)F54.CB, (T0372)L77.CB) [> 4.4777 = 7.4628 < 9.7017] w=0.1016 to align # Constraint # added constraint: constraint((T0372)L194.CB, (T0372)V235.CB) [> 4.5197 = 7.5328 < 9.7926] w=0.0889 to align # Constraint # added constraint: constraint((T0372)L169.CB, (T0372)L198.CB) [> 3.6987 = 6.1645 < 8.0139] w=0.0882 to align # Constraint # added constraint: constraint((T0372)V53.CB, (T0372)L80.CB) [> 3.8243 = 6.3739 < 8.2860] w=0.0860 to align # Constraint # added constraint: constraint((T0372)S30.CB, (T0372)I226.CB) [> 3.1661 = 5.2768 < 6.8598] w=0.0859 to align # Constraint # added constraint: constraint((T0372)I7.CB, (T0372)A46.CB) [> 3.8846 = 6.4743 < 8.4167] w=0.0859 to align # Constraint # added constraint: constraint((T0372)H228.CB, (T0372)Y263.CB) [> 3.6916 = 6.1526 < 7.9984] w=0.0859 to align # Constraint # added constraint: constraint((T0372)G232.CA, (T0372)Y263.CB) [> 3.8061 = 6.3434 < 8.2464] w=0.0859 to align # Constraint # added constraint: constraint((T0372)Y125.CB, (T0372)A254.CB) [> 3.9695 = 6.6158 < 8.6006] w=0.0859 to align # Constraint # added constraint: constraint((T0372)L130.CB, (T0372)I257.CB) [> 3.9477 = 6.5794 < 8.5533] w=0.0858 to align # Constraint # added constraint: constraint((T0372)Q44.CB, (T0372)W57.CB) [> 3.4824 = 5.8039 < 7.5451] w=0.0858 to align # Constraint # added constraint: constraint((T0372)L133.CB, (T0372)P258.CB) [> 3.6536 = 6.0894 < 7.9162] w=0.0858 to align # Constraint # added constraint: constraint((T0372)L133.CB, (T0372)Y251.CB) [> 3.0424 = 5.0707 < 6.5920] w=0.0858 to align # Constraint # added constraint: constraint((T0372)K134.CB, (T0372)Y251.CB) [> 4.3340 = 7.2234 < 9.3904] w=0.0858 to align # Constraint # added constraint: constraint((T0372)R12.CB, (T0372)C35.CB) [> 4.0709 = 6.7848 < 8.8203] w=0.0858 to align # Constraint # added constraint: constraint((T0372)V53.CB, (T0372)A63.CB) [> 3.9325 = 6.5542 < 8.5204] w=0.0858 to align # Constraint # added constraint: constraint((T0372)V53.CB, (T0372)Y64.CB) [> 3.8726 = 6.4543 < 8.3905] w=0.0858 to align # Constraint # added constraint: constraint((T0372)E60.CB, (T0372)N90.CB) [> 3.1577 = 5.2628 < 6.8417] w=0.0858 to align # Constraint # added constraint: constraint((T0372)C27.CB, (T0372)M66.CB) [> 3.3540 = 5.5901 < 7.2671] w=0.0857 to align # Constraint # added constraint: constraint((T0372)I15.CB, (T0372)F45.CB) [> 4.4610 = 7.4349 < 9.6654] w=0.0857 to align # Constraint # added constraint: constraint((T0372)E172.CB, (T0372)D182.CB) [> 4.3473 = 7.2455 < 9.4192] w=0.0857 to align # Constraint # added constraint: constraint((T0372)F31.CB, (T0372)Y64.CB) [> 3.5133 = 5.8555 < 7.6122] w=0.0857 to align # Constraint # added constraint: constraint((T0372)I15.CB, (T0372)S32.CB) [> 4.0564 = 6.7607 < 8.7888] w=0.0857 to align # Constraint # added constraint: constraint((T0372)S22.CB, (T0372)G69.CA) [> 4.2138 = 7.0230 < 9.1299] w=0.0857 to align # Constraint # added constraint: constraint((T0372)C27.CB, (T0372)V53.CB) [> 4.5090 = 7.5151 < 9.7696] w=0.0857 to align # Constraint # added constraint: constraint((T0372)C27.CB, (T0372)K55.CB) [> 3.6399 = 6.0665 < 7.8865] w=0.0857 to align # Constraint # added constraint: constraint((T0372)F31.CB, (T0372)K55.CB) [> 3.0266 = 5.0443 < 6.5575] w=0.0857 to align # Constraint # added constraint: constraint((T0372)F56.CB, (T0372)E87.CB) [> 4.5263 = 7.5438 < 9.8070] w=0.0857 to align # Constraint # added constraint: constraint((T0372)P67.CB, (T0372)V76.CB) [> 4.0911 = 6.8185 < 8.8641] w=0.0856 to align # Constraint # added constraint: constraint((T0372)N26.CB, (T0372)G95.CA) [> 4.6845 = 7.8075 < 10.1497] w=0.0856 to align # Constraint # added constraint: constraint((T0372)D28.CB, (T0372)L94.CB) [> 4.2010 = 7.0016 < 9.1021] w=0.0856 to align # Constraint # added constraint: constraint((T0372)F4.CB, (T0372)F45.CB) [> 3.6110 = 6.0183 < 7.8238] w=0.0856 to align # Constraint # added constraint: constraint((T0372)F4.CB, (T0372)Q44.CB) [> 3.5281 = 5.8802 < 7.6443] w=0.0856 to align # Constraint # added constraint: constraint((T0372)T14.CB, (T0372)F51.CB) [> 3.7329 = 6.2216 < 8.0880] w=0.0856 to align # Constraint # added constraint: constraint((T0372)G232.CA, (T0372)A278.CB) [> 3.8277 = 6.3795 < 8.2934] w=0.0855 to align # Constraint # added constraint: constraint((T0372)G209.CA, (T0372)V218.CB) [> 4.3886 = 7.3143 < 9.5086] w=0.0850 to align # Constraint # added constraint: constraint((T0372)L52.CB, (T0372)L73.CB) [> 4.3658 = 7.2764 < 9.4593] w=0.0850 to align # Constraint # added constraint: constraint((T0372)E60.CB, (T0372)H89.CB) [> 4.3433 = 7.2388 < 9.4104] w=0.0847 to align # Constraint # added constraint: constraint((T0372)Q61.CB, (T0372)H89.CB) [> 4.0306 = 6.7177 < 8.7330] w=0.0847 to align # Constraint # added constraint: constraint((T0372)K55.CB, (T0372)M66.CB) [> 3.7064 = 6.1774 < 8.0306] w=0.0846 to align # Constraint # added constraint: constraint((T0372)L206.CB, (T0372)H234.CB) [> 4.3857 = 7.3095 < 9.5024] w=0.0844 to align # Constraint # added constraint: constraint((T0372)P153.CB, (T0372)H212.CB) [> 4.0069 = 6.6782 < 8.6817] w=0.0739 to align # Constraint # added constraint: constraint((T0372)C168.CB, (T0372)H234.CB) [> 4.3049 = 7.1748 < 9.3272] w=0.0705 to align # Constraint # added constraint: constraint((T0372)K216.CB, (T0372)A238.CB) [> 4.7370 = 7.8950 < 10.2635] w=0.0688 to align # Constraint # added constraint: constraint((T0372)T19.CB, (T0372)L29.CB) [> 3.3927 = 5.6546 < 7.3509] w=0.0688 to align # Constraint # added constraint: constraint((T0372)F31.CB, (T0372)F54.CB) [> 4.4531 = 7.4218 < 9.6484] w=0.0688 to align # Constraint # added constraint: constraint((T0372)E105.CB, (T0372)T115.CB) [> 3.6166 = 6.0276 < 7.8359] w=0.0687 to align # Constraint # added constraint: constraint((T0372)R101.CB, (T0372)D117.CB) [> 4.1173 = 6.8622 < 8.9209] w=0.0687 to align # Constraint # added constraint: constraint((T0372)M66.CB, (T0372)C97.CB) [> 4.4955 = 7.4925 < 9.7402] w=0.0687 to align # Constraint # added constraint: constraint((T0372)F56.CB, (T0372)L94.CB) [> 4.4566 = 7.4278 < 9.6561] w=0.0687 to align # Constraint # added constraint: constraint((T0372)W37.CB, (T0372)A197.CB) [> 3.5775 = 5.9624 < 7.7512] w=0.0687 to align # Constraint # added constraint: constraint((T0372)L34.CB, (T0372)F54.CB) [> 4.5342 = 7.5570 < 9.8240] w=0.0687 to align # Constraint # added constraint: constraint((T0372)N33.CB, (T0372)I226.CB) [> 3.5889 = 5.9815 < 7.7759] w=0.0687 to align # Constraint # added constraint: constraint((T0372)I7.CB, (T0372)L52.CB) [> 4.5311 = 7.5518 < 9.8174] w=0.0687 to align # Constraint # added constraint: constraint((T0372)D6.CB, (T0372)Q44.CB) [> 3.8330 = 6.3884 < 8.3049] w=0.0687 to align # Constraint # added constraint: constraint((T0372)V53.CB, (T0372)V68.CB) [> 3.8866 = 6.4776 < 8.4209] w=0.0686 to align # Constraint # added constraint: constraint((T0372)F54.CB, (T0372)P67.CB) [> 4.0554 = 6.7590 < 8.7867] w=0.0686 to align # Constraint # added constraint: constraint((T0372)Q61.CB, (T0372)N90.CB) [> 3.7839 = 6.3066 < 8.1985] w=0.0686 to align # Constraint # added constraint: constraint((T0372)L62.CB, (T0372)N90.CB) [> 3.0191 = 5.0318 < 6.5413] w=0.0686 to align # Constraint # added constraint: constraint((T0372)R78.CB, (T0372)I107.CB) [> 4.1266 = 6.8777 < 8.9410] w=0.0686 to align # Constraint # added constraint: constraint((T0372)G271.CA, (T0372)L280.CB) [> 3.2709 = 5.4514 < 7.0869] w=0.0686 to align # Constraint # added constraint: constraint((T0372)I15.CB, (T0372)V47.CB) [> 4.1278 = 6.8797 < 8.9436] w=0.0685 to align # Constraint # added constraint: constraint((T0372)L73.CB, (T0372)I107.CB) [> 3.6084 = 6.0140 < 7.8182] w=0.0685 to align # Constraint # added constraint: constraint((T0372)A46.CB, (T0372)F56.CB) [> 4.5624 = 7.6040 < 9.8852] w=0.0685 to align # Constraint # added constraint: constraint((T0372)L77.CB, (T0372)D103.CB) [> 4.2928 = 7.1547 < 9.3010] w=0.0685 to align # Constraint # added constraint: constraint((T0372)T19.CB, (T0372)M66.CB) [> 4.0428 = 6.7380 < 8.7594] w=0.0685 to align # Constraint # added constraint: constraint((T0372)I7.CB, (T0372)R38.CB) [> 3.4131 = 5.6885 < 7.3951] w=0.0684 to align # Constraint # added constraint: constraint((T0372)R12.CB, (T0372)R38.CB) [> 3.0757 = 5.1262 < 6.6641] w=0.0684 to align # Constraint # added constraint: constraint((T0372)I15.CB, (T0372)V53.CB) [> 4.0869 = 6.8114 < 8.8549] w=0.0684 to align # Constraint # added constraint: constraint((T0372)F18.CB, (T0372)V68.CB) [> 3.7561 = 6.2602 < 8.1383] w=0.0684 to align # Constraint # added constraint: constraint((T0372)L34.CB, (T0372)K55.CB) [> 3.6840 = 6.1400 < 7.9820] w=0.0684 to align # Constraint # added constraint: constraint((T0372)I48.CB, (T0372)P67.CB) [> 4.6646 = 7.7743 < 10.1065] w=0.0684 to align # Constraint # added constraint: constraint((T0372)F56.CB, (T0372)D83.CB) [> 4.1790 = 6.9651 < 9.0546] w=0.0684 to align # Constraint # added constraint: constraint((T0372)F56.CB, (T0372)F91.CB) [> 4.0532 = 6.7554 < 8.7820] w=0.0684 to align # Constraint # added constraint: constraint((T0372)Q61.CB, (T0372)L80.CB) [> 3.7383 = 6.2305 < 8.0997] w=0.0684 to align # Constraint # added constraint: constraint((T0372)L77.CB, (T0372)M93.CB) [> 3.9748 = 6.6247 < 8.6121] w=0.0684 to align # Constraint # added constraint: constraint((T0372)L80.CB, (T0372)M93.CB) [> 4.5051 = 7.5085 < 9.7611] w=0.0684 to align # Constraint # added constraint: constraint((T0372)I81.CB, (T0372)F91.CB) [> 4.0504 = 6.7507 < 8.7760] w=0.0684 to align # Constraint # added constraint: constraint((T0372)V233.CB, (T0372)I262.CB) [> 3.3449 = 5.5749 < 7.2474] w=0.0684 to align # Constraint # added constraint: constraint((T0372)F222.CB, (T0372)G232.CA) [> 4.0916 = 6.8194 < 8.8652] w=0.0684 to align # Constraint # added constraint: constraint((T0372)T221.CB, (T0372)G232.CA) [> 3.8920 = 6.4867 < 8.4327] w=0.0684 to align # Constraint # added constraint: constraint((T0372)L270.CB, (T0372)L280.CB) [> 3.7128 = 6.1879 < 8.0443] w=0.0684 to align # Constraint # added constraint: constraint((T0372)A193.CB, (T0372)L204.CB) [> 4.3955 = 7.3258 < 9.5235] w=0.0681 to align # Constraint # added constraint: constraint((T0372)T14.CB, (T0372)L52.CB) [> 3.7695 = 6.2825 < 8.1672] w=0.0680 to align # Constraint # added constraint: constraint((T0372)F18.CB, (T0372)V53.CB) [> 3.6985 = 6.1642 < 8.0134] w=0.0680 to align # Constraint # added constraint: constraint((T0372)E172.CB, (T0372)F222.CB) [> 4.5431 = 7.5719 < 9.8435] w=0.0680 to align # Constraint # added constraint: constraint((T0372)E172.CB, (T0372)R191.CB) [> 4.1864 = 6.9774 < 9.0706] w=0.0679 to align # Constraint # added constraint: constraint((T0372)E172.CB, (T0372)A193.CB) [> 3.5547 = 5.9245 < 7.7019] w=0.0675 to align # Constraint # added constraint: constraint((T0372)L169.CB, (T0372)A193.CB) [> 2.6611 = 4.4351 < 5.7656] w=0.0675 to align # Constraint # added constraint: constraint((T0372)K74.CB, (T0372)L108.CB) [> 3.7800 = 6.2999 < 8.1899] w=0.0674 to align # Constraint # added constraint: constraint((T0372)L62.CB, (T0372)H89.CB) [> 3.5168 = 5.8614 < 7.6198] w=0.0673 to align # Constraint # added constraint: constraint((T0372)Q61.CB, (T0372)M93.CB) [> 3.0654 = 5.1091 < 6.6418] w=0.0673 to align # Constraint # added constraint: constraint((T0372)P153.CB, (T0372)G215.CA) [> 4.0415 = 6.7358 < 8.7565] w=0.0567 to align # Constraint # added constraint: constraint((T0372)A203.CB, (T0372)M224.CB) [> 4.2088 = 7.0146 < 9.1190] w=0.0547 to align # Constraint # added constraint: constraint((T0372)N227.CB, (T0372)Y263.CB) [> 3.9844 = 6.6407 < 8.6330] w=0.0529 to align # Constraint # added constraint: constraint((T0372)I145.CB, (T0372)N250.CB) [> 4.6706 = 7.7843 < 10.1196] w=0.0516 to align # Constraint # added constraint: constraint((T0372)I145.CB, (T0372)Y251.CB) [> 3.0215 = 5.0359 < 6.5466] w=0.0516 to align # Constraint # added constraint: constraint((T0372)R147.CB, (T0372)G244.CA) [> 3.9840 = 6.6400 < 8.6320] w=0.0516 to align # Constraint # added constraint: constraint((T0372)R147.CB, (T0372)A247.CB) [> 4.1122 = 6.8536 < 8.9097] w=0.0516 to align # Constraint # added constraint: constraint((T0372)F148.CB, (T0372)L211.CB) [> 4.3142 = 7.1903 < 9.3474] w=0.0516 to align # Constraint # added constraint: constraint((T0372)F148.CB, (T0372)V213.CB) [> 4.7754 = 7.9589 < 10.3466] w=0.0516 to align # Constraint # added constraint: constraint((T0372)F148.CB, (T0372)G244.CA) [> 2.5850 = 4.3084 < 5.6009] w=0.0516 to align # Constraint # added constraint: constraint((T0372)F148.CB, (T0372)A245.CB) [> 3.2505 = 5.4174 < 7.0427] w=0.0516 to align # Constraint # added constraint: constraint((T0372)F148.CB, (T0372)M248.CB) [> 2.5443 = 4.2405 < 5.5126] w=0.0516 to align # Constraint # added constraint: constraint((T0372)I145.CB, (T0372)M248.CB) [> 4.6474 = 7.7457 < 10.0695] w=0.0516 to align # Constraint # added constraint: constraint((T0372)H144.CB, (T0372)A247.CB) [> 3.6459 = 6.0766 < 7.8995] w=0.0516 to align # Constraint # added constraint: constraint((T0372)A46.CB, (T0372)D83.CB) [> 2.7088 = 4.5146 < 5.8690] w=0.0516 to align # Constraint # added constraint: constraint((T0372)Q44.CB, (T0372)A84.CB) [> 4.4303 = 7.3839 < 9.5991] w=0.0516 to align # Constraint # added constraint: constraint((T0372)F39.CB, (T0372)Y196.CB) [> 3.3731 = 5.6218 < 7.3083] w=0.0516 to align # Constraint # added constraint: constraint((T0372)N33.CB, (T0372)N200.CB) [> 3.9177 = 6.5294 < 8.4883] w=0.0516 to align # Constraint # added constraint: constraint((T0372)S30.CB, (T0372)F201.CB) [> 4.1871 = 6.9786 < 9.0721] w=0.0516 to align # Constraint # added constraint: constraint((T0372)F18.CB, (T0372)V47.CB) [> 4.0024 = 6.6707 < 8.6719] w=0.0516 to align # Constraint # added constraint: constraint((T0372)V218.CB, (T0372)G244.CA) [> 4.5207 = 7.5345 < 9.7948] w=0.0516 to align # Constraint # added constraint: constraint((T0372)G205.CA, (T0372)I226.CB) [> 4.0362 = 6.7270 < 8.7452] w=0.0516 to align # Constraint # added constraint: constraint((T0372)R149.CB, (T0372)Y251.CB) [> 4.5422 = 7.5703 < 9.8414] w=0.0516 to align # Constraint # added constraint: constraint((T0372)T151.CB, (T0372)G244.CA) [> 4.6090 = 7.6816 < 9.9861] w=0.0516 to align # Constraint # added constraint: constraint((T0372)C168.CB, (T0372)T221.CB) [> 4.6710 = 7.7850 < 10.1205] w=0.0516 to align # Constraint # added constraint: constraint((T0372)L169.CB, (T0372)E236.CB) [> 4.5327 = 7.5545 < 9.8209] w=0.0516 to align # Constraint # added constraint: constraint((T0372)A203.CB, (T0372)R256.CB) [> 4.1747 = 6.9579 < 9.0452] w=0.0516 to align # Constraint # added constraint: constraint((T0372)V47.CB, (T0372)L80.CB) [> 4.0279 = 6.7131 < 8.7271] w=0.0516 to align # Constraint # added constraint: constraint((T0372)I15.CB, (T0372)L29.CB) [> 4.0421 = 6.7368 < 8.7579] w=0.0516 to align # Constraint # added constraint: constraint((T0372)L34.CB, (T0372)F45.CB) [> 4.5552 = 7.5920 < 9.8695] w=0.0516 to align # Constraint # added constraint: constraint((T0372)F39.CB, (T0372)A193.CB) [> 3.4443 = 5.7405 < 7.4627] w=0.0516 to align # Constraint # added constraint: constraint((T0372)F51.CB, (T0372)L73.CB) [> 4.0690 = 6.7817 < 8.8163] w=0.0516 to align # Constraint # added constraint: constraint((T0372)L171.CB, (T0372)K216.CB) [> 4.6551 = 7.7585 < 10.0860] w=0.0515 to align # Constraint # added constraint: constraint((T0372)A58.CB, (T0372)E190.CB) [> 3.0771 = 5.1286 < 6.6671] w=0.0515 to align # Constraint # added constraint: constraint((T0372)A58.CB, (T0372)N189.CB) [> 4.7911 = 7.9852 < 10.3808] w=0.0515 to align # Constraint # added constraint: constraint((T0372)A58.CB, (T0372)T187.CB) [> 3.1215 = 5.2025 < 6.7632] w=0.0515 to align # Constraint # added constraint: constraint((T0372)L40.CB, (T0372)A193.CB) [> 3.1423 = 5.2372 < 6.8084] w=0.0515 to align # Constraint # added constraint: constraint((T0372)L40.CB, (T0372)E190.CB) [> 3.8858 = 6.4763 < 8.4192] w=0.0515 to align # Constraint # added constraint: constraint((T0372)F39.CB, (T0372)W57.CB) [> 3.9832 = 6.6387 < 8.6303] w=0.0515 to align # Constraint # added constraint: constraint((T0372)S36.CB, (T0372)N227.CB) [> 3.9879 = 6.6465 < 8.6404] w=0.0515 to align # Constraint # added constraint: constraint((T0372)L9.CB, (T0372)R38.CB) [> 4.2039 = 7.0064 < 9.1083] w=0.0515 to align # Constraint # added constraint: constraint((T0372)I195.CB, (T0372)F222.CB) [> 4.7806 = 7.9677 < 10.3580] w=0.0515 to align # Constraint # added constraint: constraint((T0372)R191.CB, (T0372)F222.CB) [> 4.7828 = 7.9713 < 10.3627] w=0.0515 to align # Constraint # added constraint: constraint((T0372)Y123.CB, (T0372)V233.CB) [> 4.6995 = 7.8325 < 10.1822] w=0.0515 to align # Constraint # added constraint: constraint((T0372)G95.CA, (T0372)Y120.CB) [> 4.1448 = 6.9080 < 8.9804] w=0.0515 to align # Constraint # added constraint: constraint((T0372)K88.CB, (T0372)F112.CB) [> 4.1418 = 6.9031 < 8.9740] w=0.0515 to align # Constraint # added constraint: constraint((T0372)M65.CB, (T0372)M100.CB) [> 4.5384 = 7.5640 < 9.8331] w=0.0515 to align # Constraint # added constraint: constraint((T0372)C168.CB, (T0372)V178.CB) [> 3.9040 = 6.5066 < 8.4586] w=0.0515 to align # Constraint # added constraint: constraint((T0372)S30.CB, (T0372)F54.CB) [> 4.4751 = 7.4586 < 9.6961] w=0.0515 to align # Constraint # added constraint: constraint((T0372)H234.CB, (T0372)I264.CB) [> 4.4732 = 7.4553 < 9.6919] w=0.0515 to align # Constraint # added constraint: constraint((T0372)V233.CB, (T0372)Y263.CB) [> 4.4608 = 7.4346 < 9.6650] w=0.0515 to align # Constraint # added constraint: constraint((T0372)D154.CB, (T0372)H212.CB) [> 3.7485 = 6.2474 < 8.1217] w=0.0515 to align # Constraint # added constraint: constraint((T0372)R191.CB, (T0372)N200.CB) [> 3.9787 = 6.6312 < 8.6206] w=0.0515 to align # Constraint # added constraint: constraint((T0372)F31.CB, (T0372)T43.CB) [> 4.6947 = 7.8245 < 10.1718] w=0.0514 to align # Constraint # added constraint: constraint((T0372)W37.CB, (T0372)F56.CB) [> 3.6843 = 6.1404 < 7.9826] w=0.0514 to align # Constraint # added constraint: constraint((T0372)T43.CB, (T0372)A58.CB) [> 3.5344 = 5.8907 < 7.6579] w=0.0514 to align # Constraint # added constraint: constraint((T0372)K55.CB, (T0372)L80.CB) [> 3.7414 = 6.2357 < 8.1064] w=0.0514 to align # Constraint # added constraint: constraint((T0372)A63.CB, (T0372)N90.CB) [> 4.2816 = 7.1361 < 9.2769] w=0.0514 to align # Constraint # added constraint: constraint((T0372)T16.CB, (T0372)C35.CB) [> 3.9762 = 6.6270 < 8.6151] w=0.0514 to align # Constraint # added constraint: constraint((T0372)F4.CB, (T0372)V47.CB) [> 4.0949 = 6.8249 < 8.8723] w=0.0514 to align # Constraint # added constraint: constraint((T0372)R24.CB, (T0372)C97.CB) [> 3.9395 = 6.5658 < 8.5355] w=0.0513 to align # Constraint # added constraint: constraint((T0372)R12.CB, (T0372)S32.CB) [> 4.2435 = 7.0725 < 9.1943] w=0.0513 to align # Constraint # added constraint: constraint((T0372)S22.CB, (T0372)R101.CB) [> 3.8156 = 6.3594 < 8.2673] w=0.0513 to align # Constraint # added constraint: constraint((T0372)G95.CA, (T0372)L104.CB) [> 2.8624 = 4.7707 < 6.2019] w=0.0513 to align # Constraint # added constraint: constraint((T0372)A278.CB, (T0372)I287.CB) [> 3.3881 = 5.6468 < 7.3408] w=0.0512 to align # Constraint # added constraint: constraint((T0372)I160.CB, (T0372)I217.CB) [> 4.7719 = 7.9533 < 10.3392] w=0.0510 to align # Constraint # added constraint: constraint((T0372)E156.CB, (T0372)V218.CB) [> 4.4715 = 7.4526 < 9.6883] w=0.0510 to align # Constraint # added constraint: constraint((T0372)L52.CB, (T0372)G69.CA) [> 3.6859 = 6.1432 < 7.9861] w=0.0510 to align # Constraint # added constraint: constraint((T0372)R24.CB, (T0372)G69.CA) [> 3.3859 = 5.6432 < 7.3361] w=0.0510 to align # Constraint # added constraint: constraint((T0372)L194.CB, (T0372)G208.CA) [> 4.2578 = 7.0964 < 9.2253] w=0.0509 to align # Constraint # added constraint: constraint((T0372)A193.CB, (T0372)L206.CB) [> 4.3764 = 7.2940 < 9.4822] w=0.0509 to align # Constraint # added constraint: constraint((T0372)A17.CB, (T0372)F51.CB) [> 4.5450 = 7.5750 < 9.8474] w=0.0508 to align # Constraint # added constraint: constraint((T0372)V235.CB, (T0372)L270.CB) [> 4.7002 = 7.8337 < 10.1838] w=0.0505 to align # Constraint # added constraint: constraint((T0372)Y64.CB, (T0372)L80.CB) [> 4.6638 = 7.7729 < 10.1048] w=0.0503 to align # Constraint # added constraint: constraint((T0372)L62.CB, (T0372)A84.CB) [> 3.9596 = 6.5994 < 8.5792] w=0.0503 to align # Constraint # added constraint: constraint((T0372)G59.CA, (T0372)H89.CB) [> 4.4875 = 7.4792 < 9.7229] w=0.0502 to align # Constraint # added constraint: constraint((T0372)L198.CB, (T0372)T207.CB) [> 4.1379 = 6.8965 < 8.9655] w=0.0500 to align # Constraint # added constraint: constraint((T0372)T221.CB, (T0372)A238.CB) [> 2.6999 = 4.4998 < 5.8498] w=0.0362 to align # Constraint # added constraint: constraint((T0372)Y152.CB, (T0372)N214.CB) [> 3.3745 = 5.6242 < 7.3114] w=0.0361 to align # Constraint # added constraint: constraint((T0372)A46.CB, (T0372)A84.CB) [> 2.8644 = 4.7741 < 6.2063] w=0.0344 to align # Constraint # added constraint: constraint((T0372)I48.CB, (T0372)L80.CB) [> 2.9705 = 4.9509 < 6.4361] w=0.0344 to align # Constraint # added constraint: constraint((T0372)L52.CB, (T0372)L80.CB) [> 3.7130 = 6.1884 < 8.0449] w=0.0344 to align # Constraint # added constraint: constraint((T0372)K55.CB, (T0372)A84.CB) [> 4.0972 = 6.8286 < 8.8772] w=0.0344 to align # Constraint # added constraint: constraint((T0372)W57.CB, (T0372)N90.CB) [> 4.1259 = 6.8764 < 8.9394] w=0.0344 to align # Constraint # added constraint: constraint((T0372)W57.CB, (T0372)F91.CB) [> 3.7425 = 6.2375 < 8.1088] w=0.0344 to align # Constraint # added constraint: constraint((T0372)Y64.CB, (T0372)A84.CB) [> 3.9404 = 6.5673 < 8.5375] w=0.0344 to align # Constraint # added constraint: constraint((T0372)Y64.CB, (T0372)N90.CB) [> 4.6579 = 7.7632 < 10.0922] w=0.0344 to align # Constraint # added constraint: constraint((T0372)M65.CB, (T0372)V96.CB) [> 4.6830 = 7.8050 < 10.1464] w=0.0344 to align # Constraint # added constraint: constraint((T0372)M66.CB, (T0372)V96.CB) [> 2.6349 = 4.3915 < 5.7089] w=0.0344 to align # Constraint # added constraint: constraint((T0372)P67.CB, (T0372)L80.CB) [> 3.4219 = 5.7031 < 7.4141] w=0.0344 to align # Constraint # added constraint: constraint((T0372)P67.CB, (T0372)I81.CB) [> 4.7176 = 7.8627 < 10.2216] w=0.0344 to align # Constraint # added constraint: constraint((T0372)S30.CB, (T0372)N200.CB) [> 3.4587 = 5.7644 < 7.4937] w=0.0344 to align # Constraint # added constraint: constraint((T0372)N33.CB, (T0372)F54.CB) [> 4.1265 = 6.8776 < 8.9408] w=0.0344 to align # Constraint # added constraint: constraint((T0372)H144.CB, (T0372)A293.CB) [> 3.6756 = 6.1260 < 7.9638] w=0.0344 to align # Constraint # added constraint: constraint((T0372)L275.CB, (T0372)Y291.CB) [> 2.6676 = 4.4459 < 5.7797] w=0.0344 to align # Constraint # added constraint: constraint((T0372)R276.CB, (T0372)I287.CB) [> 4.5942 = 7.6570 < 9.9541] w=0.0344 to align # Constraint # added constraint: constraint((T0372)K277.CB, (T0372)I287.CB) [> 4.1965 = 6.9941 < 9.0923] w=0.0344 to align # Constraint # added constraint: constraint((T0372)P67.CB, (T0372)V96.CB) [> 3.3846 = 5.6410 < 7.3334] w=0.0344 to align # Constraint # added constraint: constraint((T0372)D72.CB, (T0372)M100.CB) [> 3.4912 = 5.8186 < 7.5642] w=0.0344 to align # Constraint # added constraint: constraint((T0372)I81.CB, (T0372)L94.CB) [> 3.8964 = 6.4940 < 8.4422] w=0.0344 to align # Constraint # added constraint: constraint((T0372)A84.CB, (T0372)L94.CB) [> 3.3923 = 5.6539 < 7.3500] w=0.0344 to align # Constraint # added constraint: constraint((T0372)D85.CB, (T0372)L94.CB) [> 3.9761 = 6.6268 < 8.6149] w=0.0344 to align # Constraint # added constraint: constraint((T0372)I124.CB, (T0372)Y263.CB) [> 3.2108 = 5.3514 < 6.9568] w=0.0344 to align # Constraint # added constraint: constraint((T0372)I124.CB, (T0372)I264.CB) [> 4.2304 = 7.0507 < 9.1660] w=0.0344 to align # Constraint # added constraint: constraint((T0372)K141.CB, (T0372)A293.CB) [> 3.7095 = 6.1825 < 8.0372] w=0.0344 to align # Constraint # added constraint: constraint((T0372)S128.CB, (T0372)Y263.CB) [> 4.7021 = 7.8369 < 10.1880] w=0.0344 to align # Constraint # added constraint: constraint((T0372)R127.CB, (T0372)I264.CB) [> 3.6914 = 6.1524 < 7.9981] w=0.0344 to align # Constraint # added constraint: constraint((T0372)R127.CB, (T0372)Y263.CB) [> 3.9067 = 6.5112 < 8.4646] w=0.0344 to align # Constraint # added constraint: constraint((T0372)R127.CB, (T0372)I262.CB) [> 3.6727 = 6.1211 < 7.9574] w=0.0344 to align # Constraint # added constraint: constraint((T0372)I124.CB, (T0372)N265.CB) [> 2.9812 = 4.9687 < 6.4594] w=0.0344 to align # Constraint # added constraint: constraint((T0372)I15.CB, (T0372)L52.CB) [> 3.6415 = 6.0692 < 7.8900] w=0.0344 to align # Constraint # added constraint: constraint((T0372)I15.CB, (T0372)F31.CB) [> 3.8384 = 6.3973 < 8.3165] w=0.0344 to align # Constraint # added constraint: constraint((T0372)V53.CB, (T0372)I81.CB) [> 4.3940 = 7.3233 < 9.5203] w=0.0344 to align # Constraint # added constraint: constraint((T0372)A119.CB, (T0372)L288.CB) [> 4.5582 = 7.5970 < 9.8761] w=0.0344 to align # Constraint # added constraint: constraint((T0372)Y120.CB, (T0372)Y263.CB) [> 3.1780 = 5.2966 < 6.8856] w=0.0344 to align # Constraint # added constraint: constraint((T0372)Y120.CB, (T0372)I264.CB) [> 4.1441 = 6.9068 < 8.9788] w=0.0344 to align # Constraint # added constraint: constraint((T0372)Y120.CB, (T0372)N265.CB) [> 3.5426 = 5.9044 < 7.6757] w=0.0344 to align # Constraint # added constraint: constraint((T0372)A121.CB, (T0372)Y263.CB) [> 4.2666 = 7.1111 < 9.2444] w=0.0344 to align # Constraint # added constraint: constraint((T0372)A121.CB, (T0372)I264.CB) [> 2.9289 = 4.8815 < 6.3459] w=0.0344 to align # Constraint # added constraint: constraint((T0372)D122.CB, (T0372)I262.CB) [> 4.4969 = 7.4949 < 9.7433] w=0.0344 to align # Constraint # added constraint: constraint((T0372)D122.CB, (T0372)Y263.CB) [> 3.7397 = 6.2328 < 8.1026] w=0.0344 to align # Constraint # added constraint: constraint((T0372)Y123.CB, (T0372)L275.CB) [> 2.8738 = 4.7896 < 6.2265] w=0.0344 to align # Constraint # added constraint: constraint((T0372)Y125.CB, (T0372)L275.CB) [> 4.4532 = 7.4220 < 9.6486] w=0.0344 to align # Constraint # added constraint: constraint((T0372)N250.CB, (T0372)H298.CB) [> 3.2029 = 5.3382 < 6.9396] w=0.0344 to align # Constraint # added constraint: constraint((T0372)S281.CB, (T0372)M292.CB) [> 4.6538 = 7.7563 < 10.0832] w=0.0344 to align # Constraint # added constraint: constraint((T0372)C176.CB, (T0372)R191.CB) [> 3.7424 = 6.2373 < 8.1085] w=0.0344 to align # Constraint # added constraint: constraint((T0372)C27.CB, (T0372)D122.CB) [> 3.3542 = 5.5903 < 7.2674] w=0.0344 to align # Constraint # added constraint: constraint((T0372)R25.CB, (T0372)L126.CB) [> 4.6966 = 7.8277 < 10.1760] w=0.0344 to align # Constraint # added constraint: constraint((T0372)I15.CB, (T0372)C35.CB) [> 3.5661 = 5.9434 < 7.7265] w=0.0344 to align # Constraint # added constraint: constraint((T0372)K5.CB, (T0372)D49.CB) [> 2.1869 = 3.6449 < 4.7383] w=0.0344 to align # Constraint # added constraint: constraint((T0372)L73.CB, (T0372)M100.CB) [> 4.6197 = 7.6995 < 10.0093] w=0.0344 to align # Constraint # added constraint: constraint((T0372)R192.CB, (T0372)F201.CB) [> 4.0366 = 6.7276 < 8.7459] w=0.0343 to align # Constraint # added constraint: constraint((T0372)L104.CB, (T0372)T115.CB) [> 3.7502 = 6.2503 < 8.1254] w=0.0343 to align # Constraint # added constraint: constraint((T0372)L288.CB, (T0372)H298.CB) [> 4.7108 = 7.8514 < 10.2068] w=0.0343 to align # Constraint # added constraint: constraint((T0372)V235.CB, (T0372)I264.CB) [> 4.1253 = 6.8755 < 8.9381] w=0.0343 to align # Constraint # added constraint: constraint((T0372)A203.CB, (T0372)I226.CB) [> 4.1868 = 6.9781 < 9.0715] w=0.0343 to align # Constraint # added constraint: constraint((T0372)S30.CB, (T0372)Y64.CB) [> 3.2301 = 5.3835 < 6.9985] w=0.0343 to align # Constraint # added constraint: constraint((T0372)I2.CB, (T0372)A46.CB) [> 3.1917 = 5.3196 < 6.9154] w=0.0342 to align # Constraint # added constraint: constraint((T0372)I2.CB, (T0372)I48.CB) [> 4.3839 = 7.3065 < 9.4984] w=0.0342 to align # Constraint # added constraint: constraint((T0372)K134.CB, (T0372)M248.CB) [> 3.8104 = 6.3507 < 8.2559] w=0.0342 to align # Constraint # added constraint: constraint((T0372)N26.CB, (T0372)S98.CB) [> 3.8888 = 6.4814 < 8.4258] w=0.0342 to align # Constraint # added constraint: constraint((T0372)S30.CB, (T0372)W57.CB) [> 4.6928 = 7.8213 < 10.1677] w=0.0342 to align # Constraint # added constraint: constraint((T0372)F31.CB, (T0372)L62.CB) [> 2.9591 = 4.9319 < 6.4114] w=0.0342 to align # Constraint # added constraint: constraint((T0372)N33.CB, (T0372)A58.CB) [> 4.6837 = 7.8062 < 10.1481] w=0.0342 to align # Constraint # added constraint: constraint((T0372)L34.CB, (T0372)Y64.CB) [> 3.0339 = 5.0566 < 6.5735] w=0.0342 to align # Constraint # added constraint: constraint((T0372)C35.CB, (T0372)F45.CB) [> 4.6829 = 7.8049 < 10.1463] w=0.0342 to align # Constraint # added constraint: constraint((T0372)A17.CB, (T0372)P67.CB) [> 4.3632 = 7.2720 < 9.4536] w=0.0342 to align # Constraint # added constraint: constraint((T0372)I15.CB, (T0372)Y64.CB) [> 3.6364 = 6.0607 < 7.8789] w=0.0342 to align # Constraint # added constraint: constraint((T0372)I15.CB, (T0372)F54.CB) [> 2.9295 = 4.8826 < 6.3473] w=0.0342 to align # Constraint # added constraint: constraint((T0372)F91.CB, (T0372)F112.CB) [> 4.1992 = 6.9986 < 9.0982] w=0.0342 to align # Constraint # added constraint: constraint((T0372)F91.CB, (T0372)L104.CB) [> 4.4687 = 7.4479 < 9.6822] w=0.0342 to align # Constraint # added constraint: constraint((T0372)M65.CB, (T0372)F91.CB) [> 4.2032 = 7.0054 < 9.1070] w=0.0342 to align # Constraint # added constraint: constraint((T0372)A63.CB, (T0372)V76.CB) [> 3.1709 = 5.2847 < 6.8702] w=0.0342 to align # Constraint # added constraint: constraint((T0372)Q61.CB, (T0372)L94.CB) [> 4.4125 = 7.3542 < 9.5605] w=0.0342 to align # Constraint # added constraint: constraint((T0372)W37.CB, (T0372)A58.CB) [> 4.1422 = 6.9036 < 8.9747] w=0.0342 to align # Constraint # added constraint: constraint((T0372)N99.CB, (T0372)Y120.CB) [> 4.7220 = 7.8699 < 10.2309] w=0.0342 to align # Constraint # added constraint: constraint((T0372)M93.CB, (T0372)F112.CB) [> 4.2666 = 7.1109 < 9.2442] w=0.0342 to align # Constraint # added constraint: constraint((T0372)M93.CB, (T0372)L108.CB) [> 4.6062 = 7.6770 < 9.9801] w=0.0342 to align # Constraint # added constraint: constraint((T0372)C92.CB, (T0372)E116.CB) [> 4.1511 = 6.9186 < 8.9941] w=0.0342 to align # Constraint # added constraint: constraint((T0372)C92.CB, (T0372)T115.CB) [> 3.8081 = 6.3468 < 8.2508] w=0.0342 to align # Constraint # added constraint: constraint((T0372)N33.CB, (T0372)A193.CB) [> 3.5340 = 5.8901 < 7.6571] w=0.0342 to align # Constraint # added constraint: constraint((T0372)P153.CB, (T0372)A254.CB) [> 3.6209 = 6.0349 < 7.8454] w=0.0342 to align # Constraint # added constraint: constraint((T0372)Y152.CB, (T0372)A254.CB) [> 3.5286 = 5.8810 < 7.6453] w=0.0342 to align # Constraint # added constraint: constraint((T0372)L133.CB, (T0372)Y152.CB) [> 3.9670 = 6.6116 < 8.5951] w=0.0342 to align # Constraint # added constraint: constraint((T0372)M100.CB, (T0372)F114.CB) [> 4.5153 = 7.5255 < 9.7831] w=0.0342 to align # Constraint # added constraint: constraint((T0372)E236.CB, (T0372)I287.CB) [> 4.6296 = 7.7160 < 10.0308] w=0.0340 to align # Constraint # added constraint: constraint((T0372)C168.CB, (T0372)T207.CB) [> 4.6273 = 7.7121 < 10.0258] w=0.0340 to align # Constraint # added constraint: constraint((T0372)L169.CB, (T0372)Y196.CB) [> 4.7244 = 7.8740 < 10.2362] w=0.0340 to align # Constraint # added constraint: constraint((T0372)L169.CB, (T0372)R192.CB) [> 4.5820 = 7.6366 < 9.9276] w=0.0339 to align # Constraint # added constraint: constraint((T0372)V233.CB, (T0372)G271.CA) [> 4.7486 = 7.9144 < 10.2887] w=0.0338 to align # Constraint # added constraint: constraint((T0372)S32.CB, (T0372)M66.CB) [> 4.0142 = 6.6903 < 8.6974] w=0.0338 to align # Constraint # added constraint: constraint((T0372)C35.CB, (T0372)K55.CB) [> 4.2834 = 7.1389 < 9.2806] w=0.0337 to align # Constraint # added constraint: constraint((T0372)H199.CB, (T0372)G223.CA) [> 4.4870 = 7.4783 < 9.7218] w=0.0336 to align # Constraint # added constraint: constraint((T0372)I15.CB, (T0372)S36.CB) [> 3.5530 = 5.9217 < 7.6982] w=0.0331 to align # Constraint # added constraint: constraint((T0372)S36.CB, (T0372)K55.CB) [> 3.5210 = 5.8682 < 7.6287] w=0.0331 to align # Constraint # added constraint: constraint((T0372)L80.CB, (T0372)C92.CB) [> 4.7460 = 7.9100 < 10.2830] w=0.0331 to align # Constraint # added constraint: constraint((T0372)L94.CB, (T0372)L104.CB) [> 4.1513 = 6.9188 < 8.9945] w=0.0331 to align # Constraint # added constraint: constraint((T0372)L34.CB, (T0372)A193.CB) [> 4.0431 = 6.7385 < 8.7600] w=0.0172 to align # Constraint # added constraint: constraint((T0372)L34.CB, (T0372)N200.CB) [> 3.4580 = 5.7633 < 7.4923] w=0.0172 to align # Constraint # added constraint: constraint((T0372)C35.CB, (T0372)F54.CB) [> 4.2160 = 7.0266 < 9.1347] w=0.0172 to align # Constraint # added constraint: constraint((T0372)C35.CB, (T0372)F56.CB) [> 3.7208 = 6.2014 < 8.0618] w=0.0172 to align # Constraint # added constraint: constraint((T0372)S36.CB, (T0372)F54.CB) [> 3.9707 = 6.6178 < 8.6032] w=0.0172 to align # Constraint # added constraint: constraint((T0372)S36.CB, (T0372)Y196.CB) [> 3.3331 = 5.5552 < 7.2217] w=0.0172 to align # Constraint # added constraint: constraint((T0372)S36.CB, (T0372)H199.CB) [> 4.1891 = 6.9819 < 9.0765] w=0.0172 to align # Constraint # added constraint: constraint((T0372)N33.CB, (T0372)Y196.CB) [> 3.3386 = 5.5644 < 7.2337] w=0.0172 to align # Constraint # added constraint: constraint((T0372)S32.CB, (T0372)P67.CB) [> 4.4114 = 7.3523 < 9.5580] w=0.0172 to align # Constraint # added constraint: constraint((T0372)S32.CB, (T0372)K55.CB) [> 4.1566 = 6.9276 < 9.0059] w=0.0172 to align # Constraint # added constraint: constraint((T0372)S32.CB, (T0372)F54.CB) [> 2.6671 = 4.4452 < 5.7788] w=0.0172 to align # Constraint # added constraint: constraint((T0372)I48.CB, (T0372)V68.CB) [> 4.6439 = 7.7399 < 10.0618] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Q44.CB, (T0372)A58.CB) [> 3.7625 = 6.2708 < 8.1520] w=0.0172 to align # Constraint # added constraint: constraint((T0372)W37.CB, (T0372)N200.CB) [> 3.5247 = 5.8745 < 7.6368] w=0.0172 to align # Constraint # added constraint: constraint((T0372)W37.CB, (T0372)Y196.CB) [> 2.8668 = 4.7779 < 6.2113] w=0.0172 to align # Constraint # added constraint: constraint((T0372)W37.CB, (T0372)F54.CB) [> 4.2220 = 7.0367 < 9.1477] w=0.0172 to align # Constraint # added constraint: constraint((T0372)I15.CB, (T0372)L34.CB) [> 3.7488 = 6.2481 < 8.1225] w=0.0172 to align # Constraint # added constraint: constraint((T0372)L9.CB, (T0372)L34.CB) [> 4.4278 = 7.3797 < 9.5935] w=0.0172 to align # Constraint # added constraint: constraint((T0372)L9.CB, (T0372)L29.CB) [> 4.4278 = 7.3797 < 9.5935] w=0.0172 to align # Constraint # added constraint: constraint((T0372)F31.CB, (T0372)F45.CB) [> 4.1837 = 6.9728 < 9.0647] w=0.0172 to align # Constraint # added constraint: constraint((T0372)L29.CB, (T0372)K55.CB) [> 3.8525 = 6.4209 < 8.3471] w=0.0172 to align # Constraint # added constraint: constraint((T0372)L29.CB, (T0372)F54.CB) [> 2.9122 = 4.8537 < 6.3098] w=0.0172 to align # Constraint # added constraint: constraint((T0372)L29.CB, (T0372)F45.CB) [> 4.1115 = 6.8526 < 8.9083] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y125.CB, (T0372)C294.CB) [> 3.5988 = 5.9980 < 7.7974] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y125.CB, (T0372)I264.CB) [> 2.5590 = 4.2650 < 5.5444] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y125.CB, (T0372)Y263.CB) [> 3.9686 = 6.6143 < 8.5986] w=0.0172 to align # Constraint # added constraint: constraint((T0372)I124.CB, (T0372)L295.CB) [> 3.9176 = 6.5294 < 8.4882] w=0.0172 to align # Constraint # added constraint: constraint((T0372)I124.CB, (T0372)L275.CB) [> 4.3153 = 7.1922 < 9.3498] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y123.CB, (T0372)L295.CB) [> 2.4504 = 4.0839 < 5.3091] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y123.CB, (T0372)C294.CB) [> 4.3106 = 7.1844 < 9.3397] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y123.CB, (T0372)M292.CB) [> 4.1692 = 6.9487 < 9.0333] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y123.CB, (T0372)Y291.CB) [> 2.3957 = 3.9928 < 5.1906] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y123.CB, (T0372)L288.CB) [> 4.5060 = 7.5101 < 9.7631] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y123.CB, (T0372)A278.CB) [> 3.6111 = 6.0184 < 7.8240] w=0.0172 to align # Constraint # added constraint: constraint((T0372)D122.CB, (T0372)D297.CB) [> 4.1245 = 6.8741 < 8.9364] w=0.0172 to align # Constraint # added constraint: constraint((T0372)A121.CB, (T0372)L295.CB) [> 3.0064 = 5.0106 < 6.5138] w=0.0172 to align # Constraint # added constraint: constraint((T0372)A121.CB, (T0372)L275.CB) [> 4.1744 = 6.9574 < 9.0446] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y120.CB, (T0372)L295.CB) [> 3.8969 = 6.4948 < 8.4432] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y120.CB, (T0372)L275.CB) [> 4.3694 = 7.2823 < 9.4670] w=0.0172 to align # Constraint # added constraint: constraint((T0372)A131.CB, (T0372)I145.CB) [> 3.7622 = 6.2702 < 8.1513] w=0.0172 to align # Constraint # added constraint: constraint((T0372)L130.CB, (T0372)I264.CB) [> 3.7008 = 6.1680 < 8.0184] w=0.0172 to align # Constraint # added constraint: constraint((T0372)L130.CB, (T0372)I262.CB) [> 3.7015 = 6.1692 < 8.0199] w=0.0172 to align # Constraint # added constraint: constraint((T0372)D129.CB, (T0372)Y263.CB) [> 3.6146 = 6.0243 < 7.8316] w=0.0172 to align # Constraint # added constraint: constraint((T0372)L126.CB, (T0372)Y263.CB) [> 3.4156 = 5.6926 < 7.4004] w=0.0172 to align # Constraint # added constraint: constraint((T0372)L126.CB, (T0372)I262.CB) [> 4.1302 = 6.8837 < 8.9488] w=0.0172 to align # Constraint # added constraint: constraint((T0372)N70.CB, (T0372)L94.CB) [> 3.1784 = 5.2973 < 6.8865] w=0.0172 to align # Constraint # added constraint: constraint((T0372)N70.CB, (T0372)C92.CB) [> 2.6601 = 4.4335 < 5.7635] w=0.0172 to align # Constraint # added constraint: constraint((T0372)G69.CA, (T0372)L94.CB) [> 4.4274 = 7.3790 < 9.5927] w=0.0172 to align # Constraint # added constraint: constraint((T0372)M66.CB, (T0372)C92.CB) [> 4.0014 = 6.6689 < 8.6696] w=0.0172 to align # Constraint # added constraint: constraint((T0372)M65.CB, (T0372)F114.CB) [> 4.5178 = 7.5296 < 9.7885] w=0.0172 to align # Constraint # added constraint: constraint((T0372)M65.CB, (T0372)C97.CB) [> 3.7009 = 6.1682 < 8.0187] w=0.0172 to align # Constraint # added constraint: constraint((T0372)M65.CB, (T0372)G95.CA) [> 3.3789 = 5.6315 < 7.3209] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y64.CB, (T0372)V96.CB) [> 4.6262 = 7.7102 < 10.0233] w=0.0172 to align # Constraint # added constraint: constraint((T0372)A63.CB, (T0372)G95.CA) [> 3.8674 = 6.4457 < 8.3794] w=0.0172 to align # Constraint # added constraint: constraint((T0372)A58.CB, (T0372)F91.CB) [> 3.6379 = 6.0632 < 7.8822] w=0.0172 to align # Constraint # added constraint: constraint((T0372)F54.CB, (T0372)V96.CB) [> 4.0910 = 6.8184 < 8.8639] w=0.0172 to align # Constraint # added constraint: constraint((T0372)A119.CB, (T0372)L295.CB) [> 2.5394 = 4.2323 < 5.5020] w=0.0172 to align # Constraint # added constraint: constraint((T0372)V96.CB, (T0372)R118.CB) [> 4.3990 = 7.3317 < 9.5312] w=0.0172 to align # Constraint # added constraint: constraint((T0372)T115.CB, (T0372)K277.CB) [> 4.2376 = 7.0627 < 9.1816] w=0.0172 to align # Constraint # added constraint: constraint((T0372)I195.CB, (T0372)T207.CB) [> 4.6603 = 7.7672 < 10.0973] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Q283.CB, (T0372)M292.CB) [> 3.9993 = 6.6655 < 8.6651] w=0.0172 to align # Constraint # added constraint: constraint((T0372)E236.CB, (T0372)I264.CB) [> 4.7153 = 7.8589 < 10.2165] w=0.0172 to align # Constraint # added constraint: constraint((T0372)F91.CB, (T0372)A293.CB) [> 3.1543 = 5.2571 < 6.8342] w=0.0172 to align # Constraint # added constraint: constraint((T0372)C92.CB, (T0372)A293.CB) [> 4.2871 = 7.1451 < 9.2886] w=0.0172 to align # Constraint # added constraint: constraint((T0372)M93.CB, (T0372)A293.CB) [> 4.2273 = 7.0455 < 9.1592] w=0.0172 to align # Constraint # added constraint: constraint((T0372)I113.CB, (T0372)K296.CB) [> 3.8677 = 6.4461 < 8.3799] w=0.0172 to align # Constraint # added constraint: constraint((T0372)R111.CB, (T0372)K296.CB) [> 3.3919 = 5.6532 < 7.3491] w=0.0172 to align # Constraint # added constraint: constraint((T0372)V96.CB, (T0372)K290.CB) [> 4.1468 = 6.9113 < 8.9846] w=0.0172 to align # Constraint # added constraint: constraint((T0372)R24.CB, (T0372)I124.CB) [> 3.1933 = 5.3222 < 6.9188] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y41.CB, (T0372)A193.CB) [> 2.9861 = 4.9768 < 6.4698] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y41.CB, (T0372)E190.CB) [> 4.6908 = 7.8181 < 10.1635] w=0.0172 to align # Constraint # added constraint: constraint((T0372)L29.CB, (T0372)G232.CA) [> 4.5127 = 7.5211 < 9.7775] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y125.CB, (T0372)Y282.CB) [> 2.8036 = 4.6726 < 6.0745] w=0.0172 to align # Constraint # added constraint: constraint((T0372)I124.CB, (T0372)T286.CB) [> 4.4132 = 7.3553 < 9.5619] w=0.0172 to align # Constraint # added constraint: constraint((T0372)I124.CB, (T0372)V285.CB) [> 2.8740 = 4.7899 < 6.2269] w=0.0172 to align # Constraint # added constraint: constraint((T0372)I124.CB, (T0372)P284.CB) [> 4.7724 = 7.9540 < 10.3402] w=0.0172 to align # Constraint # added constraint: constraint((T0372)R266.CB, (T0372)I287.CB) [> 4.2945 = 7.1575 < 9.3047] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y246.CB, (T0372)I272.CB) [> 4.5756 = 7.6261 < 9.9139] w=0.0172 to align # Constraint # added constraint: constraint((T0372)E236.CB, (T0372)I272.CB) [> 3.8146 = 6.3576 < 8.2649] w=0.0172 to align # Constraint # added constraint: constraint((T0372)G208.CA, (T0372)I217.CB) [> 3.6055 = 6.0092 < 7.8120] w=0.0172 to align # Constraint # added constraint: constraint((T0372)I195.CB, (T0372)G208.CA) [> 4.1813 = 6.9688 < 9.0595] w=0.0172 to align # Constraint # added constraint: constraint((T0372)A119.CB, (T0372)R266.CB) [> 2.3689 = 3.9481 < 5.1325] w=0.0172 to align # Constraint # added constraint: constraint((T0372)E116.CB, (T0372)C294.CB) [> 3.8732 = 6.4553 < 8.3919] w=0.0172 to align # Constraint # added constraint: constraint((T0372)T115.CB, (T0372)Y291.CB) [> 3.6668 = 6.1113 < 7.9447] w=0.0172 to align # Constraint # added constraint: constraint((T0372)I124.CB, (T0372)Q283.CB) [> 3.4757 = 5.7929 < 7.5308] w=0.0172 to align # Constraint # added constraint: constraint((T0372)I124.CB, (T0372)Y282.CB) [> 3.9008 = 6.5013 < 8.4517] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y123.CB, (T0372)V285.CB) [> 4.6947 = 7.8244 < 10.1717] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y123.CB, (T0372)P284.CB) [> 3.6842 = 6.1404 < 7.9825] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y123.CB, (T0372)Y282.CB) [> 2.5329 = 4.2215 < 5.4879] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y123.CB, (T0372)I264.CB) [> 3.8531 = 6.4218 < 8.3483] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y123.CB, (T0372)Y263.CB) [> 4.5182 = 7.5304 < 9.7895] w=0.0172 to align # Constraint # added constraint: constraint((T0372)A121.CB, (T0372)R266.CB) [> 3.5689 = 5.9481 < 7.7325] w=0.0172 to align # Constraint # added constraint: constraint((T0372)A121.CB, (T0372)E273.CB) [> 3.8677 = 6.4461 < 8.3800] w=0.0172 to align # Constraint # added constraint: constraint((T0372)A121.CB, (T0372)P284.CB) [> 3.0302 = 5.0503 < 6.5654] w=0.0172 to align # Constraint # added constraint: constraint((T0372)D122.CB, (T0372)Y261.CB) [> 3.8175 = 6.3626 < 8.2713] w=0.0172 to align # Constraint # added constraint: constraint((T0372)D122.CB, (T0372)V285.CB) [> 3.8605 = 6.4342 < 8.3645] w=0.0172 to align # Constraint # added constraint: constraint((T0372)V235.CB, (T0372)Y263.CB) [> 2.7173 = 4.5288 < 5.8875] w=0.0172 to align # Constraint # added constraint: constraint((T0372)V178.CB, (T0372)V218.CB) [> 4.6205 = 7.7008 < 10.0111] w=0.0172 to align # Constraint # added constraint: constraint((T0372)Y246.CB, (T0372)G274.CA) [> 3.7972 = 6.3286 < 8.2272] w=0.0172 to align # Constraint # added constraint: constraint((T0372)I160.CB, (T0372)E190.CB) [> 4.7774 = 7.9623 < 10.3510] w=0.0171 to align # Constraint # added constraint: constraint((T0372)A278.CB, (T0372)M292.CB) [> 3.6107 = 6.0179 < 7.8232] w=0.0171 to align # Constraint # added constraint: constraint((T0372)V96.CB, (T0372)F112.CB) [> 4.4295 = 7.3825 < 9.5972] w=0.0171 to align # Constraint # added constraint: constraint((T0372)C92.CB, (T0372)I113.CB) [> 3.8380 = 6.3967 < 8.3157] w=0.0171 to align # Constraint # added constraint: constraint((T0372)L62.CB, (T0372)G95.CA) [> 4.7390 = 7.8984 < 10.2679] w=0.0171 to align # Constraint # added constraint: constraint((T0372)F31.CB, (T0372)C92.CB) [> 3.9730 = 6.6217 < 8.6082] w=0.0171 to align # Constraint # added constraint: constraint((T0372)I15.CB, (T0372)M66.CB) [> 3.7576 = 6.2627 < 8.1416] w=0.0171 to align # Constraint # added constraint: constraint((T0372)L104.CB, (T0372)I113.CB) [> 4.5764 = 7.6274 < 9.9156] w=0.0171 to align # Constraint # added constraint: constraint((T0372)G95.CA, (T0372)Y125.CB) [> 4.5599 = 7.5998 < 9.8797] w=0.0171 to align # Constraint # added constraint: constraint((T0372)C181.CB, (T0372)E267.CB) [> 2.9101 = 4.8501 < 6.3052] w=0.0169 to align # Constraint # added constraint: constraint((T0372)N179.CB, (T0372)E268.CB) [> 3.7495 = 6.2491 < 8.1238] w=0.0169 to align # Constraint # added constraint: constraint((T0372)C168.CB, (T0372)H212.CB) [> 4.0154 = 6.6923 < 8.7000] w=0.0169 to align # Constraint # added constraint: constraint((T0372)I210.CB, (T0372)G223.CA) [> 4.6397 = 7.7328 < 10.0527] w=0.0169 to align # Constraint # added constraint: constraint((T0372)I210.CB, (T0372)F222.CB) [> 3.2788 = 5.4646 < 7.1040] w=0.0169 to align # Constraint # added constraint: constraint((T0372)V218.CB, (T0372)E236.CB) [> 4.3071 = 7.1785 < 9.3321] w=0.0168 to align # Constraint # added constraint: constraint((T0372)G232.CA, (T0372)K279.CB) [> 4.4423 = 7.4038 < 9.6249] w=0.0168 to align # Constraint # added constraint: constraint((T0372)A63.CB, (T0372)K141.CB) [> 4.3568 = 7.2613 < 9.4397] w=0.0166 to align # Constraint # added constraint: constraint((T0372)A63.CB, (T0372)F138.CB) [> 4.7761 = 7.9601 < 10.3482] w=0.0166 to align # Constraint # added constraint: constraint((T0372)Q61.CB, (T0372)F138.CB) [> 4.0427 = 6.7379 < 8.7592] w=0.0166 to align # Constraint # added constraint: constraint((T0372)G59.CA, (T0372)K141.CB) [> 4.3331 = 7.2219 < 9.3885] w=0.0166 to align # Constraint # added constraint: constraint((T0372)S36.CB, (T0372)M66.CB) [> 4.5518 = 7.5863 < 9.8623] w=0.0166 to align # Constraint # added constraint: constraint((T0372)S36.CB, (T0372)M65.CB) [> 4.4043 = 7.3404 < 9.5425] w=0.0166 to align # Constraint # added constraint: constraint((T0372)C35.CB, (T0372)M66.CB) [> 4.3490 = 7.2484 < 9.4229] w=0.0166 to align # Constraint # added constraint: constraint((T0372)M66.CB, (T0372)M100.CB) [> 4.7718 = 7.9530 < 10.3390] w=0.0166 to align # Constraint # added constraint: constraint((T0372)I15.CB, (T0372)M65.CB) [> 4.1009 = 6.8349 < 8.8854] w=0.0166 to align # Constraint # added constraint: constraint((T0372)D28.CB, (T0372)C97.CB) [> 4.5408 = 7.5679 < 9.8383] w=0.0166 to align # Constraint # added constraint: constraint((T0372)F91.CB, (T0372)I160.CB) [> 4.0959 = 6.8266 < 8.8745] w=0.0166 to align # Constraint # added constraint: constraint((T0372)C92.CB, (T0372)I160.CB) [> 4.3795 = 7.2992 < 9.4889] w=0.0166 to align # Constraint # added constraint: constraint((T0372)M93.CB, (T0372)L130.CB) [> 4.6248 = 7.7080 < 10.0205] w=0.0166 to align # Constraint # added constraint: constraint((T0372)C97.CB, (T0372)Y152.CB) [> 4.7822 = 7.9704 < 10.3615] w=0.0166 to align # Constraint # added constraint: constraint((T0372)T207.CB, (T0372)G232.CA) [> 4.3900 = 7.3166 < 9.5116] w=0.0019 to align # Constraint # added constraint: constraint((T0372)T207.CB, (T0372)I264.CB) [> 3.6008 = 6.0013 < 7.8017] w=0.0019 to align # Constraint # added constraint: constraint((T0372)T221.CB, (T0372)G271.CA) [> 4.5835 = 7.6391 < 9.9309] w=0.0019 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0372/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0372/decoys/ # ReadConformPDB reading from PDB file T0372.chimera.pdb.gz looking for model 1 # Found a chain break before 302 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0372.model1_renum.pdb.gz looking for chain 'A' model 1 # Found a chain break before 267 # copying to AlignedFragments data structure # naming current conformation dimer//model1_renum # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 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 T0372 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 T0372 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 T0372 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 T0372 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 T0372 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 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 T0372 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 T0372 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 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 259 # 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 277 # 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 303 # 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 300 # 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 301 # 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 303 # 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 301 # 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 279 # 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 302 # 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 303 # 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 213 # 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 # Found a chain break before 298 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 299 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 299 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 300 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 300 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 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 T0372 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 T0372 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 T0372 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 T0372 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 T0372 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 T0372 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 T0372 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 T0372 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 T0372 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 300 # 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 T0372 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 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 294 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 299 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 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 # Found a chain break before 300 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 300 # 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 252 # 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 274 # 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 226 # 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 266 # 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 259 # 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 T0372 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 T0372 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 T0372 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 T0372 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 # WARNING: incomplete conformation T0372 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 T0372 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 T0372 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 T0372 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 Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 574, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 576, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 578, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 580, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 938, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 940, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 942, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 944, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz # WARNING: incomplete conformation T0372 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 T0372 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 292 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # Found a chain break before 275 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 283 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 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 T0372 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL5 # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 303 # 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 300 # 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 300 # 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 300 # 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 304 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 283 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 286 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 270 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 270 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 231 # 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 298 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 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 T0372 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 256 # 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 256 # 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 239 # 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 T0372 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 T0372 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 T0372 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 T0372 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 T0372 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 T0372 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 T0372 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 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 T0372 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 T0372 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 267 # 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 158 # 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 35 # 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 266 # 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 288 # 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 226 # 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 158 # 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 294 # 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 292 # 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 296 # 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 304 # 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 303 # 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 303 # 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 296 # 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 304 # 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 # Found a chain break before 243 # copying to AlignedFragments data structure # 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 289 # 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 287 # 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 300 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 WARNING: atom 1 has residue number 5 < previous residue 291 in servers/POMYSL_TS4.pdb.gz # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation POMYSL_TS4 # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 WARNING: atom 1 has residue number 98 < previous residue 305 in servers/POMYSL_TS5.pdb.gz # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 268 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # Found a chain break before 298 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 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 T0372 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 # Found a chain break before 284 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # Found a chain break before 299 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 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 T0372 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 288 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 302 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 301 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 302 # 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 # Found a chain break before 284 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 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 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # Found a chain break before 298 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # 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 152 # 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 294 # 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 289 # 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 213 # 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 258 # 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 232 # 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 301 # 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 301 # 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 298 # 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 294 # 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 241 # 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 213 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 213 # 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 250 # 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 192 # 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 288 # 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 260 # 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 287 # 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 112 # 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 283 # 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: (T0372)M1.CA and (T0372)M1.CB only 0.000 apart, marking (T0372)M1.CB as missing WARNING: atoms too close: (T0372)F4.CA and (T0372)F4.CB only 0.000 apart, marking (T0372)F4.CB as missing WARNING: atoms too close: (T0372)I7.CA and (T0372)I7.CB only 0.000 apart, marking (T0372)I7.CB as missing WARNING: atoms too close: (T0372)T16.CA and (T0372)T16.CB only 0.000 apart, marking (T0372)T16.CB as missing WARNING: atoms too close: (T0372)M20.CA and (T0372)M20.CB only 0.000 apart, marking (T0372)M20.CB as missing WARNING: atoms too close: (T0372)C35.CA and (T0372)C35.CB only 0.000 apart, marking (T0372)C35.CB as missing WARNING: atoms too close: (T0372)Y41.CA and (T0372)Y41.CB only 0.000 apart, marking (T0372)Y41.CB as missing WARNING: atoms too close: (T0372)I48.CA and (T0372)I48.CB only 0.000 apart, marking (T0372)I48.CB as missing WARNING: atoms too close: (T0372)D49.CA and (T0372)D49.CB only 0.000 apart, marking (T0372)D49.CB as missing WARNING: atoms too close: (T0372)F56.CA and (T0372)F56.CB only 0.000 apart, marking (T0372)F56.CB as missing WARNING: atoms too close: (T0372)W57.CA and (T0372)W57.CB only 0.000 apart, marking (T0372)W57.CB as missing WARNING: atoms too close: (T0372)N90.CA and (T0372)N90.CB only 0.000 apart, marking (T0372)N90.CB as missing WARNING: atoms too close: (T0372)F91.CA and (T0372)F91.CB only 0.000 apart, marking (T0372)F91.CB as missing WARNING: atoms too close: (T0372)C92.CA and (T0372)C92.CB only 0.000 apart, marking (T0372)C92.CB as missing WARNING: atoms too close: (T0372)M93.CA and (T0372)M93.CB only 0.000 apart, marking (T0372)M93.CB as missing WARNING: atoms too close: (T0372)C97.CA and (T0372)C97.CB only 0.000 apart, marking (T0372)C97.CB as missing WARNING: atoms too close: (T0372)E105.CA and (T0372)E105.CB only 0.000 apart, marking (T0372)E105.CB as missing WARNING: atoms too close: (T0372)P109.CA and (T0372)P109.CB only 0.000 apart, marking (T0372)P109.CB as missing WARNING: atoms too close: (T0372)Y120.CA and (T0372)Y120.CB only 0.000 apart, marking (T0372)Y120.CB as missing WARNING: atoms too close: (T0372)L130.CA and (T0372)L130.CB only 0.000 apart, marking (T0372)L130.CB as missing WARNING: atoms too close: (T0372)L133.CA and (T0372)L133.CB only 0.000 apart, marking (T0372)L133.CB as missing WARNING: atoms too close: (T0372)H144.CA and (T0372)H144.CB only 0.000 apart, marking (T0372)H144.CB as missing WARNING: atoms too close: (T0372)R147.CA and (T0372)R147.CB only 0.000 apart, marking (T0372)R147.CB as missing WARNING: atoms too close: (T0372)Y152.CA and (T0372)Y152.CB only 0.000 apart, marking (T0372)Y152.CB as missing WARNING: atoms too close: (T0372)Y157.CA and (T0372)Y157.CB only 0.000 apart, marking (T0372)Y157.CB as missing WARNING: atoms too close: (T0372)D163.CA and (T0372)D163.CB only 0.000 apart, marking (T0372)D163.CB as missing WARNING: atoms too close: (T0372)C168.CA and (T0372)C168.CB only 0.000 apart, marking (T0372)C168.CB as missing WARNING: atoms too close: (T0372)L171.CA and (T0372)L171.CB only 0.000 apart, marking (T0372)L171.CB as missing WARNING: atoms too close: (T0372)A173.CA and (T0372)A173.CB only 0.000 apart, marking (T0372)A173.CB as missing WARNING: atoms too close: (T0372)V178.CA and (T0372)V178.CB only 0.000 apart, marking (T0372)V178.CB as missing WARNING: atoms too close: (T0372)N179.CA and (T0372)N179.CB only 0.000 apart, marking (T0372)N179.CB as missing WARNING: atoms too close: (T0372)R192.CA and (T0372)R192.CB only 0.000 apart, marking (T0372)R192.CB as missing WARNING: atoms too close: (T0372)I195.CA and (T0372)I195.CB only 0.000 apart, marking (T0372)I195.CB as missing WARNING: atoms too close: (T0372)L198.CA and (T0372)L198.CB only 0.000 apart, marking (T0372)L198.CB as missing WARNING: atoms too close: (T0372)N200.CA and (T0372)N200.CB only 0.000 apart, marking (T0372)N200.CB as missing WARNING: atoms too close: (T0372)F201.CA and (T0372)F201.CB only 0.000 apart, marking (T0372)F201.CB as missing WARNING: atoms too close: (T0372)A203.CA and (T0372)A203.CB only 0.000 apart, marking (T0372)A203.CB as missing WARNING: atoms too close: (T0372)L206.CA and (T0372)L206.CB only 0.000 apart, marking (T0372)L206.CB as missing WARNING: atoms too close: (T0372)L211.CA and (T0372)L211.CB only 0.000 apart, marking (T0372)L211.CB as missing WARNING: atoms too close: (T0372)I217.CA and (T0372)I217.CB only 0.000 apart, marking (T0372)I217.CB as missing WARNING: atoms too close: (T0372)F220.CA and (T0372)F220.CB only 0.000 apart, marking (T0372)F220.CB as missing WARNING: atoms too close: (T0372)V233.CA and (T0372)V233.CB only 0.000 apart, marking (T0372)V233.CB as missing WARNING: atoms too close: (T0372)T240.CA and (T0372)T240.CB only 0.000 apart, marking (T0372)T240.CB as missing WARNING: atoms too close: (T0372)Y246.CA and (T0372)Y246.CB only 0.000 apart, marking (T0372)Y246.CB as missing WARNING: atoms too close: (T0372)A247.CA and (T0372)A247.CB only 0.000 apart, marking (T0372)A247.CB as missing WARNING: atoms too close: (T0372)Y251.CA and (T0372)Y251.CB only 0.000 apart, marking (T0372)Y251.CB as missing WARNING: atoms too close: (T0372)N255.CA and (T0372)N255.CB only 0.000 apart, marking (T0372)N255.CB as missing WARNING: atoms too close: (T0372)P258.CA and (T0372)P258.CB only 0.000 apart, marking (T0372)P258.CB as missing WARNING: atoms too close: (T0372)R266.CA and (T0372)R266.CB only 0.000 apart, marking (T0372)R266.CB as missing WARNING: atoms too close: (T0372)I272.CA and (T0372)I272.CB only 0.000 apart, marking (T0372)I272.CB as missing WARNING: atoms too close: (T0372)L280.CA and (T0372)L280.CB only 0.000 apart, marking (T0372)L280.CB as missing WARNING: atoms too close: (T0372)T286.CA and (T0372)T286.CB only 0.000 apart, marking (T0372)T286.CB as missing WARNING: atoms too close: (T0372)Y291.CA and (T0372)Y291.CB only 0.000 apart, marking (T0372)Y291.CB as missing WARNING: atoms too close: (T0372)K296.CA and (T0372)K296.CB only 0.000 apart, marking (T0372)K296.CB as missing WARNING: atoms too close: (T0372)M300.CA and (T0372)M300.CB only 0.000 apart, marking (T0372)M300.CB as missing WARNING: atoms too close: (T0372)V303.CA and (T0372)V303.CB only 0.000 apart, marking (T0372)V303.CB as missing # WARNING: incomplete conformation T0372 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: (T0372)I2.CA and (T0372)I2.CB only 0.000 apart, marking (T0372)I2.CB as missing WARNING: atoms too close: (T0372)I7.CA and (T0372)I7.CB only 0.000 apart, marking (T0372)I7.CB as missing WARNING: atoms too close: (T0372)T16.CA and (T0372)T16.CB only 0.000 apart, marking (T0372)T16.CB as missing WARNING: atoms too close: (T0372)S22.CA and (T0372)S22.CB only 0.000 apart, marking (T0372)S22.CB as missing WARNING: atoms too close: (T0372)N26.CA and (T0372)N26.CB only 0.000 apart, marking (T0372)N26.CB as missing WARNING: atoms too close: (T0372)C35.CA and (T0372)C35.CB only 0.000 apart, marking (T0372)C35.CB as missing WARNING: atoms too close: (T0372)Y41.CA and (T0372)Y41.CB only 0.000 apart, marking (T0372)Y41.CB as missing WARNING: atoms too close: (T0372)Q44.CA and (T0372)Q44.CB only 0.000 apart, marking (T0372)Q44.CB as missing WARNING: atoms too close: (T0372)Y64.CA and (T0372)Y64.CB only 0.000 apart, marking (T0372)Y64.CB as missing WARNING: atoms too close: (T0372)V76.CA and (T0372)V76.CB only 0.000 apart, marking (T0372)V76.CB as missing WARNING: atoms too close: (T0372)R78.CA and (T0372)R78.CB only 0.000 apart, marking (T0372)R78.CB as missing WARNING: atoms too close: (T0372)L104.CA and (T0372)L104.CB only 0.000 apart, marking (T0372)L104.CB as missing WARNING: atoms too close: (T0372)E105.CA and (T0372)E105.CB only 0.000 apart, marking (T0372)E105.CB as missing WARNING: atoms too close: (T0372)E110.CA and (T0372)E110.CB only 0.000 apart, marking (T0372)E110.CB as missing WARNING: atoms too close: (T0372)Y120.CA and (T0372)Y120.CB only 0.000 apart, marking (T0372)Y120.CB as missing WARNING: atoms too close: (T0372)T132.CA and (T0372)T132.CB only 0.000 apart, marking (T0372)T132.CB as missing WARNING: atoms too close: (T0372)L133.CA and (T0372)L133.CB only 0.000 apart, marking (T0372)L133.CB as missing WARNING: atoms too close: (T0372)N146.CA and (T0372)N146.CB only 0.000 apart, marking (T0372)N146.CB as missing WARNING: atoms too close: (T0372)Y157.CA and (T0372)Y157.CB only 0.000 apart, marking (T0372)Y157.CB as missing WARNING: atoms too close: (T0372)R164.CA and (T0372)R164.CB only 0.000 apart, marking (T0372)R164.CB as missing WARNING: atoms too close: (T0372)L171.CA and (T0372)L171.CB only 0.000 apart, marking (T0372)L171.CB as missing WARNING: atoms too close: (T0372)Q183.CA and (T0372)Q183.CB only 0.000 apart, marking (T0372)Q183.CB as missing WARNING: atoms too close: (T0372)Q184.CA and (T0372)Q184.CB only 0.000 apart, marking (T0372)Q184.CB as missing WARNING: atoms too close: (T0372)L194.CA and (T0372)L194.CB only 0.000 apart, marking (T0372)L194.CB as missing WARNING: atoms too close: (T0372)I195.CA and (T0372)I195.CB only 0.000 apart, marking (T0372)I195.CB as missing WARNING: atoms too close: (T0372)A203.CA and (T0372)A203.CB only 0.000 apart, marking (T0372)A203.CB as missing WARNING: atoms too close: (T0372)L204.CA and (T0372)L204.CB only 0.000 apart, marking (T0372)L204.CB as missing WARNING: atoms too close: (T0372)F220.CA and (T0372)F220.CB only 0.000 apart, marking (T0372)F220.CB as missing WARNING: atoms too close: (T0372)H228.CA and (T0372)H228.CB only 0.000 apart, marking (T0372)H228.CB as missing WARNING: atoms too close: (T0372)T240.CA and (T0372)T240.CB only 0.000 apart, marking (T0372)T240.CB as missing WARNING: atoms too close: (T0372)Y246.CA and (T0372)Y246.CB only 0.000 apart, marking (T0372)Y246.CB as missing WARNING: atoms too close: (T0372)A247.CA and (T0372)A247.CB only 0.000 apart, marking (T0372)A247.CB as missing WARNING: atoms too close: (T0372)F253.CA and (T0372)F253.CB only 0.000 apart, marking (T0372)F253.CB as missing WARNING: atoms too close: (T0372)A254.CA and (T0372)A254.CB only 0.000 apart, marking (T0372)A254.CB as missing WARNING: atoms too close: (T0372)E259.CA and (T0372)E259.CB only 0.000 apart, marking (T0372)E259.CB as missing WARNING: atoms too close: (T0372)I272.CA and (T0372)I272.CB only 0.000 apart, marking (T0372)I272.CB as missing WARNING: atoms too close: (T0372)L275.CA and (T0372)L275.CB only 0.000 apart, marking (T0372)L275.CB as missing WARNING: atoms too close: (T0372)S281.CA and (T0372)S281.CB only 0.000 apart, marking (T0372)S281.CB as missing WARNING: atoms too close: (T0372)Q283.CA and (T0372)Q283.CB only 0.000 apart, marking (T0372)Q283.CB as missing WARNING: atoms too close: (T0372)T286.CA and (T0372)T286.CB only 0.000 apart, marking (T0372)T286.CB as missing WARNING: atoms too close: (T0372)H298.CA and (T0372)H298.CB only 0.000 apart, marking (T0372)H298.CB as missing WARNING: atoms too close: (T0372)D301.CA and (T0372)D301.CB only 0.000 apart, marking (T0372)D301.CB as missing WARNING: atoms too close: (T0372)V303.CA and (T0372)V303.CB only 0.000 apart, marking (T0372)V303.CB as missing # WARNING: incomplete conformation T0372 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: (T0372)I2.CA and (T0372)I2.CB only 0.000 apart, marking (T0372)I2.CB as missing WARNING: atoms too close: (T0372)F4.CA and (T0372)F4.CB only 0.000 apart, marking (T0372)F4.CB as missing WARNING: atoms too close: (T0372)I7.CA and (T0372)I7.CB only 0.000 apart, marking (T0372)I7.CB as missing WARNING: atoms too close: (T0372)T16.CA and (T0372)T16.CB only 0.000 apart, marking (T0372)T16.CB as missing WARNING: atoms too close: (T0372)S22.CA and (T0372)S22.CB only 0.000 apart, marking (T0372)S22.CB as missing WARNING: atoms too close: (T0372)D28.CA and (T0372)D28.CB only 0.000 apart, marking (T0372)D28.CB as missing WARNING: atoms too close: (T0372)C35.CA and (T0372)C35.CB only 0.000 apart, marking (T0372)C35.CB as missing WARNING: atoms too close: (T0372)Y41.CA and (T0372)Y41.CB only 0.000 apart, marking (T0372)Y41.CB as missing WARNING: atoms too close: (T0372)F45.CA and (T0372)F45.CB only 0.000 apart, marking (T0372)F45.CB as missing WARNING: atoms too close: (T0372)K55.CA and (T0372)K55.CB only 0.000 apart, marking (T0372)K55.CB as missing WARNING: atoms too close: (T0372)F56.CA and (T0372)F56.CB only 0.000 apart, marking (T0372)F56.CB as missing WARNING: atoms too close: (T0372)M66.CA and (T0372)M66.CB only 0.000 apart, marking (T0372)M66.CB as missing WARNING: atoms too close: (T0372)R78.CA and (T0372)R78.CB only 0.000 apart, marking (T0372)R78.CB as missing WARNING: atoms too close: (T0372)D83.CA and (T0372)D83.CB only 0.000 apart, marking (T0372)D83.CB as missing WARNING: atoms too close: (T0372)A84.CA and (T0372)A84.CB only 0.000 apart, marking (T0372)A84.CB as missing WARNING: atoms too close: (T0372)C92.CA and (T0372)C92.CB only 0.000 apart, marking (T0372)C92.CB as missing WARNING: atoms too close: (T0372)L108.CA and (T0372)L108.CB only 0.000 apart, marking (T0372)L108.CB as missing WARNING: atoms too close: (T0372)E110.CA and (T0372)E110.CB only 0.000 apart, marking (T0372)E110.CB as missing WARNING: atoms too close: (T0372)I113.CA and (T0372)I113.CB only 0.000 apart, marking (T0372)I113.CB as missing WARNING: atoms too close: (T0372)E116.CA and (T0372)E116.CB only 0.000 apart, marking (T0372)E116.CB as missing WARNING: atoms too close: (T0372)Y120.CA and (T0372)Y120.CB only 0.000 apart, marking (T0372)Y120.CB as missing WARNING: atoms too close: (T0372)N146.CA and (T0372)N146.CB only 0.000 apart, marking (T0372)N146.CB as missing WARNING: atoms too close: (T0372)Q166.CA and (T0372)Q166.CB only 0.000 apart, marking (T0372)Q166.CB as missing WARNING: atoms too close: (T0372)W175.CA and (T0372)W175.CB only 0.000 apart, marking (T0372)W175.CB as missing WARNING: atoms too close: (T0372)V178.CA and (T0372)V178.CB only 0.000 apart, marking (T0372)V178.CB as missing WARNING: atoms too close: (T0372)Q184.CA and (T0372)Q184.CB only 0.000 apart, marking (T0372)Q184.CB as missing WARNING: atoms too close: (T0372)L194.CA and (T0372)L194.CB only 0.000 apart, marking (T0372)L194.CB as missing WARNING: atoms too close: (T0372)L198.CA and (T0372)L198.CB only 0.000 apart, marking (T0372)L198.CB as missing WARNING: atoms too close: (T0372)N200.CA and (T0372)N200.CB only 0.000 apart, marking (T0372)N200.CB as missing WARNING: atoms too close: (T0372)F201.CA and (T0372)F201.CB only 0.000 apart, marking (T0372)F201.CB as missing WARNING: atoms too close: (T0372)L211.CA and (T0372)L211.CB only 0.000 apart, marking (T0372)L211.CB as missing WARNING: atoms too close: (T0372)N214.CA and (T0372)N214.CB only 0.000 apart, marking (T0372)N214.CB as missing WARNING: atoms too close: (T0372)K216.CA and (T0372)K216.CB only 0.000 apart, marking (T0372)K216.CB as missing WARNING: atoms too close: (T0372)V218.CA and (T0372)V218.CB only 0.000 apart, marking (T0372)V218.CB as missing WARNING: atoms too close: (T0372)T230.CA and (T0372)T230.CB only 0.000 apart, marking (T0372)T230.CB as missing WARNING: atoms too close: (T0372)V235.CA and (T0372)V235.CB only 0.000 apart, marking (T0372)V235.CB as missing WARNING: atoms too close: (T0372)K237.CA and (T0372)K237.CB only 0.000 apart, marking (T0372)K237.CB as missing WARNING: atoms too close: (T0372)S241.CA and (T0372)S241.CB only 0.000 apart, marking (T0372)S241.CB as missing WARNING: atoms too close: (T0372)D243.CA and (T0372)D243.CB only 0.000 apart, marking (T0372)D243.CB as missing WARNING: atoms too close: (T0372)Y246.CA and (T0372)Y246.CB only 0.000 apart, marking (T0372)Y246.CB as missing WARNING: atoms too close: (T0372)E252.CA and (T0372)E252.CB only 0.000 apart, marking (T0372)E252.CB as missing WARNING: atoms too close: (T0372)Y263.CA and (T0372)Y263.CB only 0.000 apart, marking (T0372)Y263.CB as missing WARNING: atoms too close: (T0372)E267.CA and (T0372)E267.CB only 0.000 apart, marking (T0372)E267.CB as missing WARNING: atoms too close: (T0372)I272.CA and (T0372)I272.CB only 0.000 apart, marking (T0372)I272.CB as missing WARNING: atoms too close: (T0372)L280.CA and (T0372)L280.CB only 0.000 apart, marking (T0372)L280.CB as missing WARNING: atoms too close: (T0372)Q283.CA and (T0372)Q283.CB only 0.000 apart, marking (T0372)Q283.CB as missing WARNING: atoms too close: (T0372)P284.CA and (T0372)P284.CB only 0.000 apart, marking (T0372)P284.CB as missing WARNING: atoms too close: (T0372)E289.CA and (T0372)E289.CB only 0.000 apart, marking (T0372)E289.CB as missing WARNING: atoms too close: (T0372)P299.CA and (T0372)P299.CB only 0.000 apart, marking (T0372)P299.CB as missing # WARNING: incomplete conformation T0372 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: (T0372)I2.CA and (T0372)I2.CB only 0.000 apart, marking (T0372)I2.CB as missing WARNING: atoms too close: (T0372)P3.CA and (T0372)P3.CB only 0.000 apart, marking (T0372)P3.CB as missing WARNING: atoms too close: (T0372)F18.CA and (T0372)F18.CB only 0.000 apart, marking (T0372)F18.CB as missing WARNING: atoms too close: (T0372)K21.CA and (T0372)K21.CB only 0.000 apart, marking (T0372)K21.CB as missing WARNING: atoms too close: (T0372)S22.CA and (T0372)S22.CB only 0.000 apart, marking (T0372)S22.CB as missing WARNING: atoms too close: (T0372)N26.CA and (T0372)N26.CB only 0.000 apart, marking (T0372)N26.CB as missing WARNING: atoms too close: (T0372)S30.CA and (T0372)S30.CB only 0.000 apart, marking (T0372)S30.CB as missing WARNING: atoms too close: (T0372)L40.CA and (T0372)L40.CB only 0.000 apart, marking (T0372)L40.CB as missing WARNING: atoms too close: (T0372)D42.CA and (T0372)D42.CB only 0.000 apart, marking (T0372)D42.CB as missing WARNING: atoms too close: (T0372)Q44.CA and (T0372)Q44.CB only 0.000 apart, marking (T0372)Q44.CB as missing WARNING: atoms too close: (T0372)D49.CA and (T0372)D49.CB only 0.000 apart, marking (T0372)D49.CB as missing WARNING: atoms too close: (T0372)D50.CA and (T0372)D50.CB only 0.000 apart, marking (T0372)D50.CB as missing WARNING: atoms too close: (T0372)W57.CA and (T0372)W57.CB only 0.000 apart, marking (T0372)W57.CB as missing WARNING: atoms too close: (T0372)A58.CA and (T0372)A58.CB only 0.000 apart, marking (T0372)A58.CB as missing WARNING: atoms too close: (T0372)V68.CA and (T0372)V68.CB only 0.000 apart, marking (T0372)V68.CB as missing WARNING: atoms too close: (T0372)V76.CA and (T0372)V76.CB only 0.000 apart, marking (T0372)V76.CB as missing WARNING: atoms too close: (T0372)D83.CA and (T0372)D83.CB only 0.000 apart, marking (T0372)D83.CB as missing WARNING: atoms too close: (T0372)N90.CA and (T0372)N90.CB only 0.000 apart, marking (T0372)N90.CB as missing WARNING: atoms too close: (T0372)L104.CA and (T0372)L104.CB only 0.000 apart, marking (T0372)L104.CB as missing WARNING: atoms too close: (T0372)R111.CA and (T0372)R111.CB only 0.000 apart, marking (T0372)R111.CB as missing WARNING: atoms too close: (T0372)L126.CA and (T0372)L126.CB only 0.000 apart, marking (T0372)L126.CB as missing WARNING: atoms too close: (T0372)A131.CA and (T0372)A131.CB only 0.000 apart, marking (T0372)A131.CB as missing WARNING: atoms too close: (T0372)R142.CA and (T0372)R142.CB only 0.000 apart, marking (T0372)R142.CB as missing WARNING: atoms too close: (T0372)H144.CA and (T0372)H144.CB only 0.000 apart, marking (T0372)H144.CB as missing WARNING: atoms too close: (T0372)I145.CA and (T0372)I145.CB only 0.000 apart, marking (T0372)I145.CB as missing WARNING: atoms too close: (T0372)N146.CA and (T0372)N146.CB only 0.000 apart, marking (T0372)N146.CB as missing WARNING: atoms too close: (T0372)R164.CA and (T0372)R164.CB only 0.000 apart, marking (T0372)R164.CB as missing WARNING: atoms too close: (T0372)Q166.CA and (T0372)Q166.CB only 0.000 apart, marking (T0372)Q166.CB as missing WARNING: atoms too close: (T0372)C168.CA and (T0372)C168.CB only 0.000 apart, marking (T0372)C168.CB as missing WARNING: atoms too close: (T0372)N189.CA and (T0372)N189.CB only 0.000 apart, marking (T0372)N189.CB as missing WARNING: atoms too close: (T0372)A193.CA and (T0372)A193.CB only 0.000 apart, marking (T0372)A193.CB as missing WARNING: atoms too close: (T0372)L194.CA and (T0372)L194.CB only 0.000 apart, marking (T0372)L194.CB as missing WARNING: atoms too close: (T0372)Y196.CA and (T0372)Y196.CB only 0.000 apart, marking (T0372)Y196.CB as missing WARNING: atoms too close: (T0372)F201.CA and (T0372)F201.CB only 0.000 apart, marking (T0372)F201.CB as missing WARNING: atoms too close: (T0372)L206.CA and (T0372)L206.CB only 0.000 apart, marking (T0372)L206.CB as missing WARNING: atoms too close: (T0372)K216.CA and (T0372)K216.CB only 0.000 apart, marking (T0372)K216.CB as missing WARNING: atoms too close: (T0372)F220.CA and (T0372)F220.CB only 0.000 apart, marking (T0372)F220.CB as missing WARNING: atoms too close: (T0372)H228.CA and (T0372)H228.CB only 0.000 apart, marking (T0372)H228.CB as missing WARNING: atoms too close: (T0372)T240.CA and (T0372)T240.CB only 0.000 apart, marking (T0372)T240.CB as missing WARNING: atoms too close: (T0372)I242.CA and (T0372)I242.CB only 0.000 apart, marking (T0372)I242.CB as missing WARNING: atoms too close: (T0372)K277.CA and (T0372)K277.CB only 0.000 apart, marking (T0372)K277.CB as missing WARNING: atoms too close: (T0372)A278.CA and (T0372)A278.CB only 0.000 apart, marking (T0372)A278.CB as missing WARNING: atoms too close: (T0372)Y282.CA and (T0372)Y282.CB only 0.000 apart, marking (T0372)Y282.CB as missing WARNING: atoms too close: (T0372)Q283.CA and (T0372)Q283.CB only 0.000 apart, marking (T0372)Q283.CB as missing WARNING: atoms too close: (T0372)P284.CA and (T0372)P284.CB only 0.000 apart, marking (T0372)P284.CB as missing WARNING: atoms too close: (T0372)Y291.CA and (T0372)Y291.CB only 0.000 apart, marking (T0372)Y291.CB as missing WARNING: atoms too close: (T0372)A293.CA and (T0372)A293.CB only 0.000 apart, marking (T0372)A293.CB as missing WARNING: atoms too close: (T0372)R304.CA and (T0372)R304.CB only 0.000 apart, marking (T0372)R304.CB as missing # WARNING: incomplete conformation T0372 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: (T0372)M1.CA and (T0372)M1.CB only 0.000 apart, marking (T0372)M1.CB as missing WARNING: atoms too close: (T0372)F4.CA and (T0372)F4.CB only 0.000 apart, marking (T0372)F4.CB as missing WARNING: atoms too close: (T0372)R12.CA and (T0372)R12.CB only 0.000 apart, marking (T0372)R12.CB as missing WARNING: atoms too close: (T0372)N26.CA and (T0372)N26.CB only 0.000 apart, marking (T0372)N26.CB as missing WARNING: atoms too close: (T0372)N33.CA and (T0372)N33.CB only 0.000 apart, marking (T0372)N33.CB as missing WARNING: atoms too close: (T0372)A46.CA and (T0372)A46.CB only 0.000 apart, marking (T0372)A46.CB as missing WARNING: atoms too close: (T0372)F54.CA and (T0372)F54.CB only 0.000 apart, marking (T0372)F54.CB as missing WARNING: atoms too close: (T0372)A58.CA and (T0372)A58.CB only 0.000 apart, marking (T0372)A58.CB as missing WARNING: atoms too close: (T0372)N70.CA and (T0372)N70.CB only 0.000 apart, marking (T0372)N70.CB as missing WARNING: atoms too close: (T0372)K88.CA and (T0372)K88.CB only 0.000 apart, marking (T0372)K88.CB as missing WARNING: atoms too close: (T0372)F91.CA and (T0372)F91.CB only 0.000 apart, marking (T0372)F91.CB as missing WARNING: atoms too close: (T0372)S98.CA and (T0372)S98.CB only 0.000 apart, marking (T0372)S98.CB as missing WARNING: atoms too close: (T0372)N99.CA and (T0372)N99.CB only 0.000 apart, marking (T0372)N99.CB as missing WARNING: atoms too close: (T0372)R101.CA and (T0372)R101.CB only 0.000 apart, marking (T0372)R101.CB as missing WARNING: atoms too close: (T0372)D122.CA and (T0372)D122.CB only 0.000 apart, marking (T0372)D122.CB as missing WARNING: atoms too close: (T0372)L126.CA and (T0372)L126.CB only 0.000 apart, marking (T0372)L126.CB as missing WARNING: atoms too close: (T0372)T132.CA and (T0372)T132.CB only 0.000 apart, marking (T0372)T132.CB as missing WARNING: atoms too close: (T0372)R142.CA and (T0372)R142.CB only 0.000 apart, marking (T0372)R142.CB as missing WARNING: atoms too close: (T0372)Y157.CA and (T0372)Y157.CB only 0.000 apart, marking (T0372)Y157.CB as missing WARNING: atoms too close: (T0372)P162.CA and (T0372)P162.CB only 0.000 apart, marking (T0372)P162.CB as missing WARNING: atoms too close: (T0372)Q166.CA and (T0372)Q166.CB only 0.000 apart, marking (T0372)Q166.CB as missing WARNING: atoms too close: (T0372)D170.CA and (T0372)D170.CB only 0.000 apart, marking (T0372)D170.CB as missing WARNING: atoms too close: (T0372)Q183.CA and (T0372)Q183.CB only 0.000 apart, marking (T0372)Q183.CB as missing WARNING: atoms too close: (T0372)Q184.CA and (T0372)Q184.CB only 0.000 apart, marking (T0372)Q184.CB as missing WARNING: atoms too close: (T0372)A197.CA and (T0372)A197.CB only 0.000 apart, marking (T0372)A197.CB as missing WARNING: atoms too close: (T0372)H199.CA and (T0372)H199.CB only 0.000 apart, marking (T0372)H199.CB as missing WARNING: atoms too close: (T0372)F201.CA and (T0372)F201.CB only 0.000 apart, marking (T0372)F201.CB as missing WARNING: atoms too close: (T0372)A203.CA and (T0372)A203.CB only 0.000 apart, marking (T0372)A203.CB as missing WARNING: atoms too close: (T0372)F220.CA and (T0372)F220.CB only 0.000 apart, marking (T0372)F220.CB as missing WARNING: atoms too close: (T0372)T221.CA and (T0372)T221.CB only 0.000 apart, marking (T0372)T221.CB as missing WARNING: atoms too close: (T0372)A238.CA and (T0372)A238.CB only 0.000 apart, marking (T0372)A238.CB as missing WARNING: atoms too close: (T0372)A247.CA and (T0372)A247.CB only 0.000 apart, marking (T0372)A247.CB as missing WARNING: atoms too close: (T0372)Q260.CA and (T0372)Q260.CB only 0.000 apart, marking (T0372)Q260.CB as missing WARNING: atoms too close: (T0372)I262.CA and (T0372)I262.CB only 0.000 apart, marking (T0372)I262.CB as missing WARNING: atoms too close: (T0372)N265.CA and (T0372)N265.CB only 0.000 apart, marking (T0372)N265.CB as missing WARNING: atoms too close: (T0372)L275.CA and (T0372)L275.CB only 0.000 apart, marking (T0372)L275.CB as missing WARNING: atoms too close: (T0372)T286.CA and (T0372)T286.CB only 0.000 apart, marking (T0372)T286.CB as missing WARNING: atoms too close: (T0372)L288.CA and (T0372)L288.CB only 0.000 apart, marking (T0372)L288.CB as missing WARNING: atoms too close: (T0372)C294.CA and (T0372)C294.CB only 0.000 apart, marking (T0372)C294.CB as missing WARNING: atoms too close: (T0372)M300.CA and (T0372)M300.CB only 0.000 apart, marking (T0372)M300.CB as missing # WARNING: incomplete conformation T0372 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 # WARNING: incomplete conformation T0372 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 T0372 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 T0372 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 T0372 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 T0372 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 Skipped atom 55, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 461, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 302 # 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 T0372 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 T0372 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 T0372 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 T0372 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 289 # 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 213 # 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 206 # 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 252 # 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 229 # 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 107 # 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 213 # 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 286 # 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 259 # 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 179 # 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 243 # 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 213 # 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 284 # 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 227 # 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 280 # 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 T0372 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 T0372 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 T0372 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 T0372 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 T0372 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: incomplete conformation T0372 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 T0372 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 # WARNING: incomplete conformation T0372 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 # WARNING: incomplete conformation T0372 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 178, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 182, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 184, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 278, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 280, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 282, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 284, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz # WARNING: incomplete conformation T0372 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 T0372 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 298 # 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 302 # 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 295 # 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 299 # 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 299 # 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 303 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 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 T0372 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 T0372 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 T0372 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 T0372 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 290 # 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 294 # 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 218 # 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 300 # 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 301 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 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 T0372 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 T0372 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 T0372 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 T0372 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 # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 WARNING: atom 557 has residue number 1 < previous residue 267 in servers/mGen-3D_TS1.pdb.gz WARNING: atom 1094 has residue number 22 < previous residue 305 in servers/mGen-3D_TS1.pdb.gz # WARNING: incomplete conformation T0372 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 T0372 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 T0372 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: incomplete conformation T0372 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 T0372 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: atom 1 has residue number 1 < previous residue 305 in servers/nFOLD_TS5.pdb.gz # WARNING: incomplete conformation T0372 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: atoms too close: (T0372)C181.N and (T0372)D182.N only 0.000 apart, marking (T0372)D182.N as missing WARNING: atoms too close: (T0372)C181.CA and (T0372)D182.CA only 0.000 apart, marking (T0372)D182.CA as missing WARNING: atoms too close: (T0372)C181.O and (T0372)D182.O only 0.000 apart, marking (T0372)D182.O as missing WARNING: atoms too close: (T0372)C181.C and (T0372)D182.C only 0.000 apart, marking (T0372)D182.C as missing WARNING: atoms too close: (T0372)D182.N and (T0372)Q183.N only 0.000 apart, marking (T0372)D182.N as missing WARNING: atoms too close: (T0372)C181.N and (T0372)Q183.N only 0.000 apart, marking (T0372)Q183.N as missing WARNING: atoms too close: (T0372)D182.CA and (T0372)Q183.CA only 0.000 apart, marking (T0372)Q183.CA as missing WARNING: atoms too close: (T0372)C181.CA and (T0372)Q183.CA only 0.000 apart, marking (T0372)Q183.CA as missing WARNING: atoms too close: (T0372)D182.O and (T0372)Q183.O only 0.000 apart, marking (T0372)Q183.O as missing WARNING: atoms too close: (T0372)C181.O and (T0372)Q183.O only 0.000 apart, marking (T0372)Q183.O as missing WARNING: atoms too close: (T0372)D182.C and (T0372)Q183.C only 0.000 apart, marking (T0372)Q183.C as missing WARNING: atoms too close: (T0372)C181.C and (T0372)Q183.C only 0.000 apart, marking (T0372)Q183.C as missing # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # ReadConformPDB reading from PDB file servers/panther3_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0372)D117.N and (T0372)Y155.N only 0.000 apart, marking (T0372)Y155.N as missing WARNING: atoms too close: (T0372)D117.CA and (T0372)Y155.CA only 0.000 apart, marking (T0372)Y155.CA as missing WARNING: atoms too close: (T0372)D117.CB and (T0372)Y155.CB only 0.000 apart, marking (T0372)Y155.CB as missing WARNING: atoms too close: (T0372)D117.CG and (T0372)Y155.CG only 0.000 apart, marking (T0372)Y155.CG as missing WARNING: atoms too close: (T0372)D117.O and (T0372)Y155.O only 0.000 apart, marking (T0372)Y155.O as missing WARNING: atoms too close: (T0372)D117.C and (T0372)Y155.C only 0.000 apart, marking (T0372)Y155.C as missing WARNING: atoms too close: (T0372)Y155.N and (T0372)L171.N only 0.000 apart, marking (T0372)Y155.N as missing WARNING: atoms too close: (T0372)D117.N and (T0372)L171.N only 0.000 apart, marking (T0372)L171.N as missing WARNING: atoms too close: (T0372)Y155.CA and (T0372)L171.CA only 0.000 apart, marking (T0372)L171.CA as missing WARNING: atoms too close: (T0372)D117.CA and (T0372)L171.CA only 0.000 apart, marking (T0372)L171.CA as missing WARNING: atoms too close: (T0372)Y155.CB and (T0372)L171.CB only 0.000 apart, marking (T0372)L171.CB as missing WARNING: atoms too close: (T0372)D117.CB and (T0372)L171.CB only 0.000 apart, marking (T0372)L171.CB as missing WARNING: atoms too close: (T0372)Y155.CG and (T0372)L171.CG only 0.000 apart, marking (T0372)L171.CG as missing WARNING: atoms too close: (T0372)D117.CG and (T0372)L171.CG only 0.000 apart, marking (T0372)L171.CG as missing WARNING: atoms too close: (T0372)Y155.O and (T0372)L171.O only 0.000 apart, marking (T0372)L171.O as missing WARNING: atoms too close: (T0372)D117.O and (T0372)L171.O only 0.000 apart, marking (T0372)L171.O as missing WARNING: atoms too close: (T0372)Y155.C and (T0372)L171.C only 0.000 apart, marking (T0372)L171.C as missing WARNING: atoms too close: (T0372)D117.C and (T0372)L171.C only 0.000 apart, marking (T0372)L171.C as missing # WARNING: incomplete conformation T0372 can't currently be optimized by undertaker # naming current conformation panther3_TS1 # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 304 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # command:Using radius: 8.0000 Using models AND alignments for constraints model score 1.2255 model score 1.2116 model score 0.0504 model score 0.0723 model score 0.0154 model score 0.0466 model score 0.0319 model score 0.3203 model score 1.4403 model score -0.0440 model score 2.0457 model score 1.6361 model score 0.3055 model score 2.1266 model score 1.9299 model score 1.4081 model score 2.9084 model score 1.3034 model score 1.4081 model score 1.3034 model score 1.2456 model score 1.3803 model score 1.3948 model score -0.0279 model score 0.1512 model score 0.0051 model score 0.0870 model score -0.1033 model score 0.0498 model score -0.0876 model score 0.2611 model score 1.6015 model score 1.6443 model score 1.3081 model score 1.2968 model score 1.2667 model score 1.2585 model score 1.2712 model score 1.2715 model score 1.2629 model score -0.0876 model score 1.2106 model score 0.7545 model score -0.0071 model score -0.0143 model score 0.3239 model score 0.0870 model score 0.7545 model score 0.4289 model score -0.0876 model score 2.1407 model score 2.1203 model score 1.9941 model score 2.4515 model score 2.1266 model score 1.2508 model score 1.2921 model score 1.2508 model score 1.2798 model score 1.2521 model score 1.2508 model score 1.2921 model score 1.2798 model score 1.2818 model score 1.2892 model score 0.1679 model score 1.9927 model score 1.7816 model score 2.0514 model score 2.1846 model score 1.2530 model score 1.2771 model score 1.2916 model score 1.2861 model score 1.2826 model score 0.2143 model score 0.4289 model score 2.1816 model score 1.6930 model score 2.3935 model score 1.8627 model score 1.8578 model score 0.7195 model score 0.7195 model score 2.2014 model score 0.0337 model score 0.1648 model score 0.2260 model score 0.1194 model score 0.2078 model score -0.0111 model score 0.0259 model score 0.0133 model score 1.6968 model score 1.4563 model score 1.9354 model score 1.3487 model score 1.6190 model score 0.1458 model score 2.0591 model score 0.6312 model score 0.0709 model score 1.5532 model score 0.1179 model score 0.0123 model score 2.2125 model score 1.5449 model score 2.1175 model score -0.0231 model score 0.0123 model score 1.1211 model score 1.2591 model score 1.7998 model score -0.2613 model score -0.0442 model score -0.1484 model score -0.1991 model score -0.1656 model score 0.0513 model score 1.9549 model score 2.3655 model score 1.5599 model score 1.2975 model score 1.9775 model score 0.6347 model score 0.5623 model score 0.5843 model score 0.5230 model score 0.5485 model score 0.4250 model score 0.4013 model score 0.2382 model score 1.4003 model score 0.5567 model score 0.1465 model score 0.3053 model score 0.1055 model score 0.0287 model score 0.2032 model score 0.8222 model score 1.2243 model score 0.9790 model score 1.1767 model score 1.1282 model score 2.1385 model score 0.0287 model score 0.3053 model score 0.1055 model score 0.1465 model score 0.2115 model score 0.1578 model score 0.1362 model score -0.0239 model score 0.3237 model score 0.5152 model score 0.0637 model score 0.4187 model score -0.0926 model score 1.6284 model score 0.1576 model score 0.0541 model score 0.3890 model score -0.1139 model score 0.4226 model score 0.5725 model score 0.0229 model score 1.2774 model score -0.0043 model score 1.3141 model score 0.0148 model score 1.6382 model score 1.5952 model score 1.8978 model score 1.7349 model score 1.6884 model score 1.2595 model score 1.2732 model score 1.2733 model score 1.2771 model score 1.2771 model score 1.2669 model score 0.1811 model score -0.0871 model score -0.0403 model score 0.2430 model score 0.2003 model score -0.0239 model score 0.0015 model score 0.3412 model score 0.3368 model score 0.3113 model score 0.0240 model score -0.0665 model score 0.2306 model score 0.2896 model score 0.7792 model score 0.0513 model score -0.0143 model score 0.4976 model score 1.6909 model score 2.0504 model score 1.2771 model score 1.2734 model score 1.2679 model score 1.2577 model score 1.2594 model score 0.3135 model score 1.2771 model score 1.2654 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.0143 model score -0.0669 model score -0.0985 model score -0.1390 model score -0.0348 model score -0.1624 model score 0.2683 model score 1.2771 model score 1.2857 model score 1.2771 model score 1.2775 model score 1.2829 model score 0.4585 model score 0.8173 model score 1.9440 model score 1.9204 model score 1.9282 model score -0.1518 model score 0.0594 model score 0.3108 model score 0.5057 model score 0.1001 model score 2.0166 model score 0.4051 model score 0.0951 model score 0.3227 model score 0.3338 model score 0.0281 model score 2.2531 model score 1.2285 model score 1.8010 model score 2.4151 model score 1.8911 model score 1.3018 model score 1.2772 model score 0.1986 USE_META, weight: 0.5778 cost: 1.2255 min: -0.2613 max: 2.9084 USE_META, weight: 0.5818 cost: 1.2116 min: -0.2613 max: 2.9084 USE_META, weight: 0.9115 cost: 0.0504 min: -0.2613 max: 2.9084 USE_META, weight: 0.9053 cost: 0.0723 min: -0.2613 max: 2.9084 USE_META, weight: 0.9214 cost: 0.0154 min: -0.2613 max: 2.9084 USE_META, weight: 0.9126 cost: 0.0466 min: -0.2613 max: 2.9084 USE_META, weight: 0.9168 cost: 0.0319 min: -0.2613 max: 2.9084 USE_META, weight: 0.8349 cost: 0.3203 min: -0.2613 max: 2.9084 USE_META, weight: 0.5168 cost: 1.4403 min: -0.2613 max: 2.9084 USE_META, weight: 0.9383 cost: -0.0440 min: -0.2613 max: 2.9084 USE_META, weight: 0.3450 cost: 2.0457 min: -0.2613 max: 2.9084 USE_META, weight: 0.4613 cost: 1.6361 min: -0.2613 max: 2.9084 USE_META, weight: 0.8391 cost: 0.3055 min: -0.2613 max: 2.9084 USE_META, weight: 0.3220 cost: 2.1266 min: -0.2613 max: 2.9084 USE_META, weight: 0.3778 cost: 1.9299 min: -0.2613 max: 2.9084 USE_META, weight: 0.5260 cost: 1.4081 min: -0.2613 max: 2.9084 USE_META, weight: 0.1000 cost: 2.9084 min: -0.2613 max: 2.9084 USE_META, weight: 0.5557 cost: 1.3034 min: -0.2613 max: 2.9084 USE_META, weight: 0.5260 cost: 1.4081 min: -0.2613 max: 2.9084 USE_META, weight: 0.5557 cost: 1.3034 min: -0.2613 max: 2.9084 USE_META, weight: 0.5721 cost: 1.2456 min: -0.2613 max: 2.9084 USE_META, weight: 0.5339 cost: 1.3803 min: -0.2613 max: 2.9084 USE_META, weight: 0.5298 cost: 1.3948 min: -0.2613 max: 2.9084 USE_META, weight: 0.9337 cost: -0.0279 min: -0.2613 max: 2.9084 USE_META, weight: 0.8829 cost: 0.1512 min: -0.2613 max: 2.9084 USE_META, weight: 0.9243 cost: 0.0051 min: -0.2613 max: 2.9084 USE_META, weight: 0.9011 cost: 0.0870 min: -0.2613 max: 2.9084 USE_META, weight: 0.9551 cost: -0.1033 min: -0.2613 max: 2.9084 USE_META, weight: 0.9117 cost: 0.0498 min: -0.2613 max: 2.9084 USE_META, weight: 0.9507 cost: -0.0876 min: -0.2613 max: 2.9084 USE_META, weight: 0.8517 cost: 0.2611 min: -0.2613 max: 2.9084 USE_META, weight: 0.4711 cost: 1.6015 min: -0.2613 max: 2.9084 USE_META, weight: 0.4589 cost: 1.6443 min: -0.2613 max: 2.9084 USE_META, weight: 0.5544 cost: 1.3081 min: -0.2613 max: 2.9084 USE_META, weight: 0.5576 cost: 1.2968 min: -0.2613 max: 2.9084 USE_META, weight: 0.5661 cost: 1.2667 min: -0.2613 max: 2.9084 USE_META, weight: 0.5685 cost: 1.2585 min: -0.2613 max: 2.9084 USE_META, weight: 0.5649 cost: 1.2712 min: -0.2613 max: 2.9084 USE_META, weight: 0.5648 cost: 1.2715 min: -0.2613 max: 2.9084 USE_META, weight: 0.5672 cost: 1.2629 min: -0.2613 max: 2.9084 USE_META, weight: 0.9507 cost: -0.0876 min: -0.2613 max: 2.9084 USE_META, weight: 0.5821 cost: 1.2106 min: -0.2613 max: 2.9084 USE_META, weight: 0.7116 cost: 0.7545 min: -0.2613 max: 2.9084 USE_META, weight: 0.9278 cost: -0.0071 min: -0.2613 max: 2.9084 USE_META, weight: 0.9299 cost: -0.0143 min: -0.2613 max: 2.9084 USE_META, weight: 0.8338 cost: 0.3239 min: -0.2613 max: 2.9084 USE_META, weight: 0.9011 cost: 0.0870 min: -0.2613 max: 2.9084 USE_META, weight: 0.7116 cost: 0.7545 min: -0.2613 max: 2.9084 USE_META, weight: 0.8040 cost: 0.4289 min: -0.2613 max: 2.9084 USE_META, weight: 0.9507 cost: -0.0876 min: -0.2613 max: 2.9084 USE_META, weight: 0.3180 cost: 2.1407 min: -0.2613 max: 2.9084 USE_META, weight: 0.3238 cost: 2.1203 min: -0.2613 max: 2.9084 USE_META, weight: 0.3596 cost: 1.9941 min: -0.2613 max: 2.9084 USE_META, weight: 0.2297 cost: 2.4515 min: -0.2613 max: 2.9084 USE_META, weight: 0.3220 cost: 2.1266 min: -0.2613 max: 2.9084 USE_META, weight: 0.5707 cost: 1.2508 min: -0.2613 max: 2.9084 USE_META, weight: 0.5589 cost: 1.2921 min: -0.2613 max: 2.9084 USE_META, weight: 0.5707 cost: 1.2508 min: -0.2613 max: 2.9084 USE_META, weight: 0.5624 cost: 1.2798 min: -0.2613 max: 2.9084 USE_META, weight: 0.5703 cost: 1.2521 min: -0.2613 max: 2.9084 USE_META, weight: 0.5707 cost: 1.2508 min: -0.2613 max: 2.9084 USE_META, weight: 0.5589 cost: 1.2921 min: -0.2613 max: 2.9084 USE_META, weight: 0.5624 cost: 1.2798 min: -0.2613 max: 2.9084 USE_META, weight: 0.5619 cost: 1.2818 min: -0.2613 max: 2.9084 USE_META, weight: 0.5597 cost: 1.2892 min: -0.2613 max: 2.9084 USE_META, weight: 0.8781 cost: 0.1679 min: -0.2613 max: 2.9084 USE_META, weight: 0.3600 cost: 1.9927 min: -0.2613 max: 2.9084 USE_META, weight: 0.4199 cost: 1.7816 min: -0.2613 max: 2.9084 USE_META, weight: 0.3433 cost: 2.0514 min: -0.2613 max: 2.9084 USE_META, weight: 0.3055 cost: 2.1846 min: -0.2613 max: 2.9084 USE_META, weight: 0.5700 cost: 1.2530 min: -0.2613 max: 2.9084 USE_META, weight: 0.5632 cost: 1.2771 min: -0.2613 max: 2.9084 USE_META, weight: 0.5591 cost: 1.2916 min: -0.2613 max: 2.9084 USE_META, weight: 0.5606 cost: 1.2861 min: -0.2613 max: 2.9084 USE_META, weight: 0.5616 cost: 1.2826 min: -0.2613 max: 2.9084 USE_META, weight: 0.8650 cost: 0.2143 min: -0.2613 max: 2.9084 USE_META, weight: 0.8040 cost: 0.4289 min: -0.2613 max: 2.9084 USE_META, weight: 0.3064 cost: 2.1816 min: -0.2613 max: 2.9084 USE_META, weight: 0.4451 cost: 1.6930 min: -0.2613 max: 2.9084 USE_META, weight: 0.2462 cost: 2.3935 min: -0.2613 max: 2.9084 USE_META, weight: 0.3969 cost: 1.8627 min: -0.2613 max: 2.9084 USE_META, weight: 0.3983 cost: 1.8578 min: -0.2613 max: 2.9084 USE_META, weight: 0.7215 cost: 0.7195 min: -0.2613 max: 2.9084 USE_META, weight: 0.7215 cost: 0.7195 min: -0.2613 max: 2.9084 USE_META, weight: 0.3007 cost: 2.2014 min: -0.2613 max: 2.9084 USE_META, weight: 0.9162 cost: 0.0337 min: -0.2613 max: 2.9084 USE_META, weight: 0.8790 cost: 0.1648 min: -0.2613 max: 2.9084 USE_META, weight: 0.8616 cost: 0.2260 min: -0.2613 max: 2.9084 USE_META, weight: 0.8919 cost: 0.1194 min: -0.2613 max: 2.9084 USE_META, weight: 0.8668 cost: 0.2078 min: -0.2613 max: 2.9084 USE_META, weight: 0.9290 cost: -0.0111 min: -0.2613 max: 2.9084 USE_META, weight: 0.9184 cost: 0.0259 min: -0.2613 max: 2.9084 USE_META, weight: 0.9220 cost: 0.0133 min: -0.2613 max: 2.9084 USE_META, weight: 0.4440 cost: 1.6968 min: -0.2613 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USE_META, weight: 0.4332 cost: 1.7349 min: -0.2613 max: 2.9084 USE_META, weight: 0.4464 cost: 1.6884 min: -0.2613 max: 2.9084 USE_META, weight: 0.5682 cost: 1.2595 min: -0.2613 max: 2.9084 USE_META, weight: 0.5643 cost: 1.2732 min: -0.2613 max: 2.9084 USE_META, weight: 0.5643 cost: 1.2733 min: -0.2613 max: 2.9084 USE_META, weight: 0.5632 cost: 1.2771 min: -0.2613 max: 2.9084 USE_META, weight: 0.5632 cost: 1.2771 min: -0.2613 max: 2.9084 USE_META, weight: 0.5661 cost: 1.2669 min: -0.2613 max: 2.9084 USE_META, weight: 0.8744 cost: 0.1811 min: -0.2613 max: 2.9084 USE_META, weight: 0.9505 cost: -0.0871 min: -0.2613 max: 2.9084 USE_META, weight: 0.9372 cost: -0.0403 min: -0.2613 max: 2.9084 USE_META, weight: 0.8568 cost: 0.2430 min: -0.2613 max: 2.9084 USE_META, weight: 0.8689 cost: 0.2003 min: -0.2613 max: 2.9084 USE_META, weight: 0.9326 cost: -0.0239 min: -0.2613 max: 2.9084 USE_META, weight: 0.9254 cost: 0.0015 min: -0.2613 max: 2.9084 USE_META, weight: 0.8289 cost: 0.3412 min: -0.2613 max: 2.9084 USE_META, weight: 0.8302 cost: 0.3368 min: -0.2613 max: 2.9084 USE_META, weight: 0.8374 cost: 0.3113 min: -0.2613 max: 2.9084 USE_META, weight: 0.9190 cost: 0.0240 min: -0.2613 max: 2.9084 USE_META, weight: 0.9447 cost: -0.0665 min: -0.2613 max: 2.9084 USE_META, weight: 0.8603 cost: 0.2306 min: -0.2613 max: 2.9084 USE_META, weight: 0.8436 cost: 0.2896 min: -0.2613 max: 2.9084 USE_META, weight: 0.7046 cost: 0.7792 min: -0.2613 max: 2.9084 USE_META, weight: 0.9112 cost: 0.0513 min: -0.2613 max: 2.9084 USE_META, weight: 0.9299 cost: -0.0143 min: -0.2613 max: 2.9084 USE_META, weight: 0.7845 cost: 0.4976 min: -0.2613 max: 2.9084 USE_META, weight: 0.4457 cost: 1.6909 min: -0.2613 max: 2.9084 USE_META, weight: 0.3436 cost: 2.0504 min: -0.2613 max: 2.9084 USE_META, weight: 0.5632 cost: 1.2771 min: -0.2613 max: 2.9084 USE_META, weight: 0.5642 cost: 1.2734 min: -0.2613 max: 2.9084 USE_META, weight: 0.5658 cost: 1.2679 min: -0.2613 max: 2.9084 USE_META, weight: 0.5687 cost: 1.2577 min: -0.2613 max: 2.9084 USE_META, weight: 0.5682 cost: 1.2594 min: -0.2613 max: 2.9084 USE_META, weight: 0.8368 cost: 0.3135 min: -0.2613 max: 2.9084 USE_META, weight: 0.5632 cost: 1.2771 min: -0.2613 max: 2.9084 USE_META, weight: 0.5665 cost: 1.2654 min: -0.2613 max: 2.9084 USE_META, weight: 0.5632 cost: 1.2771 min: -0.2613 max: 2.9084 USE_META, weight: 0.5632 cost: 1.2771 min: -0.2613 max: 2.9084 USE_META, weight: 0.5632 cost: 1.2771 min: -0.2613 max: 2.9084 USE_META, weight: 0.9217 cost: 0.0143 min: -0.2613 max: 2.9084 USE_META, weight: 0.9448 cost: -0.0669 min: -0.2613 max: 2.9084 USE_META, weight: 0.9538 cost: -0.0985 min: -0.2613 max: 2.9084 USE_META, weight: 0.9653 cost: -0.1390 min: -0.2613 max: 2.9084 USE_META, weight: 0.9357 cost: -0.0348 min: -0.2613 max: 2.9084 USE_META, weight: 0.9719 cost: -0.1624 min: -0.2613 max: 2.9084 USE_META, weight: 0.8496 cost: 0.2683 min: -0.2613 max: 2.9084 USE_META, weight: 0.5632 cost: 1.2771 min: -0.2613 max: 2.9084 USE_META, weight: 0.5607 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74.3000 USE_EVALUE, weight: 0.9984 eval: 0.1340 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9984 eval: 0.1340 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9824 eval: 1.4499 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9824 eval: 1.4499 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9824 eval: 1.4499 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9885 eval: 0.9538 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9885 eval: 0.9538 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9885 eval: 0.9538 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 1.0000 eval: 0.0009 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 1.0000 eval: 0.0009 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 1.0000 eval: 0.0009 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 1.0000 eval: 0.0022 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 1.0000 eval: 0.0022 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 1.0000 eval: 0.0022 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9990 eval: 0.0827 min: 0.0009 max: 74.3000 USE_EVALUE, 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0.1365 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9984 eval: 0.1365 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9974 eval: 0.2190 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9974 eval: 0.2190 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9974 eval: 0.2190 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9624 eval: 3.1024 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9624 eval: 3.1024 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9624 eval: 3.1024 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9964 eval: 0.3017 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9964 eval: 0.3017 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9964 eval: 0.3017 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9966 eval: 0.2799 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9966 eval: 0.2799 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9966 eval: 0.2799 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9617 eval: 3.1659 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9617 eval: 3.1659 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9617 eval: 3.1659 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.1109 eval: 73.4000 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.1109 eval: 73.4000 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.1109 eval: 73.4000 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9950 eval: 0.4177 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9950 eval: 0.4177 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9950 eval: 0.4177 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9985 eval: 0.1230 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9985 eval: 0.1230 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9985 eval: 0.1230 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9744 eval: 2.1140 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9744 eval: 2.1140 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.9744 eval: 2.1140 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.1000 eval: 74.3000 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.1000 eval: 74.3000 min: 0.0009 max: 74.3000 USE_EVALUE, weight: 0.1000 eval: 74.3000 min: 0.0009 max: 74.3000 Number of contacts in models: 248 Number of contacts in alignments: 66 NUMB_ALIGNS: 66 Adding 23237 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: -569.2376, CN propb: -569.2376 weights: 0.1566 constraints: 1332 # command:Found ConstraintSet # PrintContacts align.constraints_meta03 Number of constraints in align3.constraints 1332 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta03 Number of constraints in align3.constraints.bonus 1332 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta03 Number of constraints in rejected3.constraints 21905 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta03 Number of constraints in rejected3.constraints.bonus 21905 # 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 23237 # command: