# 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/T0370/ # command:# Making conformation for sequence T0370 numbered 1 through 154 Created new target T0370 from T0370.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0370/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0370//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0370/manyalignments-good-all.under or /projects/compbio/experiments/protein-predict/casp7/T0370//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0370/manyalignments-good-all.under.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0370/manyalignments-good-all.under # reading script from file /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0370/manyalignments-good-all.under # Reading fragments from alignment file # Attempting to read fragment alignments from file 1g79A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1g79A expands to /projects/compbio/data/pdb/1g79.pdb.gz 1g79A:Skipped atom 805, because occupancy 0.5 <= existing 0.500 in 1g79A Skipped atom 807, because occupancy 0.500 <= existing 0.500 in 1g79A Skipped atom 809, because occupancy 0.500 <= existing 0.500 in 1g79A Skipped atom 811, because occupancy 0.500 <= existing 0.500 in 1g79A Skipped atom 1326, because occupancy 0.500 <= existing 0.500 in 1g79A Skipped atom 1328, because occupancy 0.500 <= existing 0.500 in 1g79A Skipped atom 1330, because occupancy 0.500 <= existing 0.500 in 1g79A Skipped atom 1332, because occupancy 0.500 <= existing 0.500 in 1g79A Skipped atom 1334, because occupancy 0.500 <= existing 0.500 in 1g79A # T0370 read from 1g79A/merged-good-all-a2m # 1g79A read from 1g79A/merged-good-all-a2m # adding 1g79A to template set # found chain 1g79A in template set T0370 10 :KQRIQDTLNR 1g79A 36 :ERWLSQACEA # choosing archetypes in rotamer library T0370 20 :LELDVDAWVSTAGAD 1g79A 47 :LADPTAMVVATVDEH T0370 36 :GAPYLVPLSY 1g79A 62 :GQPYQRIVLL T0370 46 :LWDGETFLVATPAASPTGRNLSETGRVRLGIGP 1g79A 73 :HYDEKGMVFYTNLGSRKAHQIENNPRVSLLFPW T0370 79 :TRDLVLVEGTALPLE 1g79A 108 :LERQVMVIGKAERLS T0370 99 :DGVGD 1g79A 124 :LEVMK T0370 104 :TFAEKTGFDPRRLTTSYLYFRISPRRVQAWREAN 1g79A 162 :ELKQKFQQGEVPLPSFWGGFRVSLEQIEFWQGGE T0370 138 :ELSGRELM 1g79A 197 :RLHDRFLY T0370 146 :RDGEWLVT 1g79A 207 :ENDAWKID Number of specific fragments extracted= 9 number of extra gaps= 0 total=9 Number of alignments=1 # 1g79A read from 1g79A/merged-good-all-a2m # found chain 1g79A in template set T0370 1 :MTTPPARTAKQRIQDTLNR 1g79A 27 :LPADPLTLFERWLSQACEA T0370 20 :LE 1g79A 47 :LA T0370 23 :DVD 1g79A 49 :DPT T0370 26 :AWVSTAGAD 1g79A 53 :MVVATVDEH T0370 36 :GAPYLVPLSY 1g79A 62 :GQPYQRIVLL T0370 46 :LWDGETFLVATPAASPTGRNLSETGRVRLGIG 1g79A 73 :HYDEKGMVFYTNLGSRKAHQIENNPRVSLLFP T0370 78 :PTRDLVLVEGTALPLEPAG 1g79A 107 :TLERQVMVIGKAERLSTLE T0370 97 :LPDGVGDTFAEKTGFDPRRLTTSYLYFRISPRRVQAWREA 1g79A 155 :ILESKFLELKQKFQQGEVPLPSFWGGFRVSLEQIEFWQGG T0370 137 :NELSGRELMR 1g79A 196 :HRLHDRFLYQ T0370 147 :DGEW 1g79A 208 :NDAW T0370 151 :L 1g79A 213 :I T0370 152 :VTD 1g79A 216 :LAP Number of specific fragments extracted= 12 number of extra gaps= 0 total=21 Number of alignments=2 # 1g79A read from 1g79A/merged-good-all-a2m # found chain 1g79A in template set T0370 14 :QDTLNRLELD 1g79A 36 :ERWLSQACEA T0370 24 :VDAWVSTAGADGGAPYLVPLSY 1g79A 50 :PTAMVVATVDEHGQPYQRIVLL T0370 46 :LWDGETFLVATPAASPTGRNLSETGRVRLGIGPTRD 1g79A 73 :HYDEKGMVFYTNLGSRKAHQIENNPRVSLLFPWHTL T0370 82 :LVLVEGTALP 1g79A 111 :QVMVIGKAER T0370 92 :LEPAGLPDGVGDTFAEKTGFDPRRLTTSYLYFRISPRRVQAWREA 1g79A 150 :ISARGILESKFLELKQKFQQGEVPLPSFWGGFRVSLEQIEFWQGG Number of specific fragments extracted= 5 number of extra gaps= 0 total=26 Number of alignments=3 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1flmA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0370 read from 1flmA/merged-good-all-a2m # 1flmA read from 1flmA/merged-good-all-a2m # found chain 1flmA in training set Warning: unaligning (T0370)Q11 because first residue in template chain is (1flmA)M1 T0370 12 :RIQDTLNRLELDVDAWVSTAGAD 1flmA 2 :LPGTFFEVLKNEGVVAIATQGED T0370 36 :G 1flmA 25 :G T0370 38 :PYLVPLS 1flmA 26 :PHLVNTW T0370 46 :LWDGETFLVATPAASPTGRNLSETGRVRLGIG 1flmA 38 :VLDGNRIVVPVGGMHKTEANVARDERVLMTLG T0370 79 :TRD 1flmA 77 :NGP T0370 82 :LVLVEGTALPLEPAGLPDGVG 1flmA 82 :GFLIRGSAAFRTDGPEFEAIA T0370 115 :RLTTSYLYFRISPRRVQA 1flmA 103 :RFKWARAALVITVVSAEQ Number of specific fragments extracted= 7 number of extra gaps= 0 total=33 Number of alignments=4 # 1flmA read from 1flmA/merged-good-all-a2m # found chain 1flmA in training set T0370 14 :QDTLNRLELDVDAWVSTAGAD 1flmA 4 :GTFFEVLKNEGVVAIATQGED T0370 36 :G 1flmA 25 :G T0370 38 :PYLVPLSY 1flmA 26 :PHLVNTWN T0370 46 :LWDGETFLVATPAASPTGRNLSETGRVRLGIG 1flmA 38 :VLDGNRIVVPVGGMHKTEANVARDERVLMTLG T0370 78 :PTRDLVLVEGTALPLEPAGLPDGV 1flmA 78 :GPGTGFLIRGSAAFRTDGPEFEAI T0370 106 :AEKTGF 1flmA 102 :ARFKWA T0370 120 :YLYFRISPRRVQA 1flmA 108 :RAALVITVVSAEQ Number of specific fragments extracted= 7 number of extra gaps= 0 total=40 Number of alignments=5 # 1flmA read from 1flmA/merged-good-all-a2m # found chain 1flmA in training set Warning: unaligning (T0370)R12 because first residue in template chain is (1flmA)M1 T0370 13 :IQDTLNRLELDVDAWVSTAGADGG 1flmA 2 :LPGTFFEVLKNEGVVAIATQGEDG T0370 38 :PYLVPLS 1flmA 26 :PHLVNTW T0370 46 :LWDGETFLVATPAASPTGRNLSETGRVRLGIGP 1flmA 38 :VLDGNRIVVPVGGMHKTEANVARDERVLMTLGS T0370 79 :T 1flmA 77 :N T0370 82 :LVLVEGTALPLEPAGL 1flmA 82 :GFLIRGSAAFRTDGPE T0370 106 :AEKT 1flmA 98 :FEAI T0370 114 :RRLTTSYLYFRISPRRVQ 1flmA 102 :ARFKWARAALVITVVSAE Number of specific fragments extracted= 7 number of extra gaps= 0 total=47 Number of alignments=6 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1w3oA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0370 read from 1w3oA/merged-good-all-a2m # 1w3oA read from 1w3oA/merged-good-all-a2m # found chain 1w3oA in training set Warning: unaligning (T0370)R134 because of BadResidue code BAD_PEPTIDE in next template residue (1w3oA)N175 Warning: unaligning (T0370)E135 because of BadResidue code BAD_PEPTIDE at template residue (1w3oA)N175 T0370 7 :RTAKQRIQDTLNRLELDVDAWVSTA 1w3oA 18 :PQNRQSDEWIRELLLRGTIARVATL T0370 32 :GAD 1w3oA 45 :GED T0370 36 :GA 1w3oA 48 :GA T0370 38 :PYLVPLSYLW 1w3oA 52 :PFITPLAYAY T0370 48 :DG 1w3oA 63 :PE T0370 50 :ETFLVATPAASPTGRNLSETGRVRLGIGP 1w3oA 66 :GDLVYHTNVVGRLRANAGQGHPATLEVSE T0370 79 :TRDL 1w3oA 96 :GQFL T0370 83 :VLVEGTALPLEPAGL 1w3oA 114 :VMVFGTARVLAGEDA T0370 99 :DGVGDTFAEKT 1w3oA 129 :RAALTTLSERV T0370 111 :FDPRRLTTS 1w3oA 140 :FPGLKVGET T0370 120 :YLYFRISPRRVQAW 1w3oA 160 :TSVYSLSIDRWSGK T0370 136 :ANELS 1w3oA 176 :WAEQA Number of specific fragments extracted= 12 number of extra gaps= 1 total=59 Number of alignments=7 # 1w3oA read from 1w3oA/merged-good-all-a2m # found chain 1w3oA in training set Warning: unaligning (T0370)R134 because of BadResidue code BAD_PEPTIDE in next template residue (1w3oA)N175 Warning: unaligning (T0370)E135 because of BadResidue code BAD_PEPTIDE at template residue (1w3oA)N175 T0370 10 :KQR 1w3oA 24 :DEW T0370 16 :TLNRLE 1w3oA 27 :IRELLL T0370 23 :DVD 1w3oA 33 :RGT T0370 26 :AWVSTA 1w3oA 37 :ARVATL T0370 32 :GAD 1w3oA 45 :GED T0370 36 :G 1w3oA 48 :G T0370 37 :APYLVPLSYLWD 1w3oA 51 :FPFITPLAYAYR T0370 49 :G 1w3oA 64 :E T0370 50 :ETFLVATPAASPTGRN 1w3oA 66 :GDLVYHTNVVGRLRAN T0370 70 :G 1w3oA 82 :A T0370 71 :RVRLGIGPTRDL 1w3oA 87 :PATLEVSEIGQF T0370 83 :VLVEGTALPLEPAGL 1w3oA 114 :VMVFGTARVLAGEDA T0370 99 :DGVGDTFAEKTG 1w3oA 129 :RAALTTLSERVF T0370 112 :DPRRLTTSY 1w3oA 141 :PGLKVGETT T0370 121 :LYFRISPRRVQAW 1w3oA 161 :SVYSLSIDRWSGK T0370 136 :A 1w3oA 176 :W T0370 137 :NELS 1w3oA 178 :EQAI Number of specific fragments extracted= 17 number of extra gaps= 1 total=76 Number of alignments=8 # 1w3oA read from 1w3oA/merged-good-all-a2m # found chain 1w3oA in training set Warning: unaligning (T0370)R134 because of BadResidue code BAD_PEPTIDE in next template residue (1w3oA)N175 Warning: unaligning (T0370)E135 because of BadResidue code BAD_PEPTIDE at template residue (1w3oA)N175 T0370 3 :TPPARTAK 1w3oA 11 :DPSVSRRP T0370 11 :QRIQDTLNRLELDVDAWVSTAG 1w3oA 21 :RQSDEWIRELLLRGTIARVATL T0370 33 :ADGG 1w3oA 45 :GEDG T0370 37 :APYLVPLSYLWDGE 1w3oA 51 :FPFITPLAYAYRPE T0370 51 :TFLVATPAASPT 1w3oA 67 :DLVYHTNVVGRL T0370 67 :SETG 1w3oA 79 :RANA T0370 71 :RVRLGIGPTRD 1w3oA 87 :PATLEVSEIGQ T0370 83 :VLVEGTALPLEPAGLPDGVGDTFAEKT 1w3oA 114 :VMVFGTARVLAGEDARAALTTLSERVF T0370 110 :GFDPRRLTTS 1w3oA 142 :GLKVGETTRP T0370 120 :YLYFRISPRRVQAW 1w3oA 160 :TSVYSLSIDRWSGK Number of specific fragments extracted= 10 number of extra gaps= 1 total=86 Number of alignments=9 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vl7A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0370 read from 1vl7A/merged-good-all-a2m # 1vl7A read from 1vl7A/merged-good-all-a2m # found chain 1vl7A in training set T0370 17 :LNRLELDVDAWVSTAGAD 1vl7A 12 :AGFIQEFQSAIISTISEQ T0370 36 :GAPYLVPLSYLWDGE 1vl7A 30 :GIPNGSYAPFVIDDA T0370 51 :TFLVATPAASPTGRNLSETGRVRLGIGP 1vl7A 46 :NIYIYVSGLAVHTKNIEANPLVNVLFVD T0370 79 :TRDLVLVEGTALPLE 1vl7A 83 :ARRRLSFDCTATLIE T0370 94 :PAGLPDGVGDTFAEKTG 1vl7A 99 :ESQKWNQVVDQFQERFG T0370 117 :TTSYLYFRISPRRVQAWRE 1vl7A 124 :LADFRIFQLTPKEGRFVIG Number of specific fragments extracted= 6 number of extra gaps= 0 total=92 Number of alignments=10 # 1vl7A read from 1vl7A/merged-good-all-a2m # found chain 1vl7A in training set T0370 17 :LNRLE 1vl7A 12 :AGFIQ T0370 23 :DVD 1vl7A 17 :EFQ T0370 26 :AWVSTAGAD 1vl7A 21 :AIISTISEQ T0370 36 :GAPYLVPLSYLWDG 1vl7A 30 :GIPNGSYAPFVIDD T0370 50 :ETFLVATPAASPTGRNLSETGRVRLGIGPTRDL 1vl7A 45 :KNIYIYVSGLAVHTKNIEANPLVNVLFVDDEAK T0370 83 :VLVEGTALPLEPAG 1vl7A 87 :LSFDCTATLIERES T0370 97 :LPDGVGDTFAEKTG 1vl7A 102 :KWNQVVDQFQERFG T0370 111 :F 1vl7A 125 :A T0370 119 :SYLYFRISPRRVQAWREAN 1vl7A 126 :DFRIFQLTPKEGRFVIGFG Number of specific fragments extracted= 9 number of extra gaps= 0 total=101 Number of alignments=11 # 1vl7A read from 1vl7A/merged-good-all-a2m # found chain 1vl7A in training set Warning: unaligning (T0370)L17 because first residue in template chain is (1vl7A)Y11 T0370 18 :NRLELDVDAWVSTAGADGGAPYLVPLSYLWDGET 1vl7A 12 :AGFIQEFQSAIISTISEQGIPNGSYAPFVIDDAK T0370 52 :FLVATPAASPTGRNLSETGRVRLGIGPTRD 1vl7A 47 :IYIYVSGLAVHTKNIEANPLVNVLFVDDEA T0370 83 :VLVEGTALPLEPAG 1vl7A 87 :LSFDCTATLIERES T0370 97 :LPDGVGDTFAEKTGF 1vl7A 102 :KWNQVVDQFQERFGQ T0370 118 :TSYLYFRISPRRV 1vl7A 125 :ADFRIFQLTPKEG Number of specific fragments extracted= 5 number of extra gaps= 0 total=106 Number of alignments=12 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ty9A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0370 read from 1ty9A/merged-good-all-a2m # 1ty9A read from 1ty9A/merged-good-all-a2m # found chain 1ty9A in training set Warning: unaligning (T0370)L46 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ty9A)I80 Warning: unaligning (T0370)W47 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ty9A)I80 Warning: unaligning (T0370)D112 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ty9A)G174 Warning: unaligning (T0370)S126 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ty9A)L189 Warning: unaligning (T0370)P127 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ty9A)L189 T0370 3 :TPPARTAKQRIQDTLNR 1ty9A 35 :ADPMSVLHNWLERARRV T0370 20 :LELDVDAWVSTAGAD 1ty9A 53 :IREPRALALATADSQ T0370 36 :GAPYLVPLSY 1ty9A 68 :GRPSTRIVVI T0370 48 :DGETFLVATPAASPTGRNLSETGRVRLGIGPTRD 1ty9A 81 :SDAGVVFSTHAGSQKGRELLHNPWASGVLYWRET T0370 82 :LVLVEGTALPLEPA 1ty9A 117 :QIILNGQAVRLPNA T0370 100 :GVGD 1ty9A 131 :KADD T0370 104 :TFAEKTGF 1ty9A 165 :AARQLAEL T0370 113 :PRRLTTSYLYFRI 1ty9A 175 :PLPRPEGYCVFEL T0370 128 :RRVQAWREAN 1ty9A 190 :ESLEFWGNGQ T0370 138 :ELSGRELM 1ty9A 201 :RLHERLRY T0370 146 :RDGEWLVT 1ty9A 211 :SDTGWNVR Number of specific fragments extracted= 11 number of extra gaps= 3 total=117 Number of alignments=13 # 1ty9A read from 1ty9A/merged-good-all-a2m # found chain 1ty9A in training set Warning: unaligning (T0370)L46 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ty9A)I80 Warning: unaligning (T0370)W47 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ty9A)I80 Warning: unaligning (T0370)F111 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ty9A)G174 Warning: unaligning (T0370)D112 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ty9A)G174 Warning: unaligning (T0370)S126 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ty9A)L189 Warning: unaligning (T0370)P127 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ty9A)L189 T0370 1 :MTTPPARTAKQRIQDTLNR 1ty9A 33 :LPADPMSVLHNWLERARRV T0370 20 :LE 1ty9A 53 :IR T0370 23 :DVD 1ty9A 55 :EPR T0370 26 :AWVSTAGAD 1ty9A 59 :LALATADSQ T0370 36 :GAPYLVPLSY 1ty9A 68 :GRPSTRIVVI T0370 48 :DGETFLVATPAASPTGRNLSETGRVRLGIG 1ty9A 81 :SDAGVVFSTHAGSQKGRELLHNPWASGVLY T0370 78 :PTRDLVLVEGTALPLEPAG 1ty9A 113 :ETSQQIILNGQAVRLPNAK T0370 97 :LPDGVGDTFAEK 1ty9A 161 :AMRNAARQLAEL T0370 113 :PRRLTTSYLYFRI 1ty9A 175 :PLPRPEGYCVFEL T0370 128 :RRVQAWREA 1ty9A 190 :ESLEFWGNG T0370 137 :NELSGRELMR 1ty9A 200 :ERLHERLRYD T0370 147 :DGEW 1ty9A 212 :DTGW T0370 151 :L 1ty9A 217 :V T0370 152 :VTD 1ty9A 220 :LQP Number of specific fragments extracted= 14 number of extra gaps= 3 total=131 Number of alignments=14 # 1ty9A read from 1ty9A/merged-good-all-a2m # found chain 1ty9A in training set Warning: unaligning (T0370)W47 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ty9A)I80 Warning: unaligning (T0370)D112 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ty9A)G174 Warning: unaligning (T0370)S126 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ty9A)L189 Warning: unaligning (T0370)P127 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ty9A)L189 T0370 6 :ARTAKQRIQDTLNRLEL 1ty9A 34 :PADPMSVLHNWLERARR T0370 23 :DVDAWVSTAGADGGAPYLVPLS 1ty9A 55 :EPRALALATADSQGRPSTRIVV T0370 48 :DGETFLVATPAASPTGRNLSETGRVRLGIGPTRD 1ty9A 81 :SDAGVVFSTHAGSQKGRELLHNPWASGVLYWRET T0370 82 :LVLVEGTALPLEPAG 1ty9A 117 :QIILNGQAVRLPNAK T0370 97 :LPDGVGDTFAEKTGF 1ty9A 158 :DVQAMRNAARQLAEL T0370 113 :PRRLTTSYLYFRI 1ty9A 175 :PLPRPEGYCVFEL T0370 128 :RRVQAWR 1ty9A 190 :ESLEFWG Number of specific fragments extracted= 7 number of extra gaps= 3 total=138 Number of alignments=15 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1xhnA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1xhnA expands to /projects/compbio/data/pdb/1xhn.pdb.gz 1xhnA:Skipped atom 49, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 51, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 53, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 55, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 57, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 514, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 601, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 603, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 605, because occupancy 0.500 <= existing 0.500 in 1xhnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 1xhnA Skipped atom 691, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 693, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 695, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 697, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 786, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 788, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 790, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 792, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 794, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 796, because occupancy 0.500 <= existing 0.500 in 1xhnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 906, because occupancy 0.500 <= existing 0.500 in 1xhnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 908, because occupancy 0.500 <= existing 0.500 in 1xhnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 910, because occupancy 0.500 <= existing 0.500 in 1xhnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 912, because occupancy 0.500 <= existing 0.500 in 1xhnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0370 read from 1xhnA/merged-good-all-a2m # 1xhnA read from 1xhnA/merged-good-all-a2m # adding 1xhnA to template set # found chain 1xhnA in template set T0370 24 :VDAWVSTAGA 1xhnA 31 :DWGALATIST T0370 35 :GGAPYLVPLSYLW 1xhnA 45 :RGRPFADVLSLSD T0370 48 :DGE 1xhnA 59 :PPG T0370 51 :TFLVATPAASPTGRNLSETGRVRLGI 1xhnA 66 :VPYFYLSPLQLSVSNLQENPYATLTM T0370 77 :GPTRD 1xhnA 104 :FDPQS T0370 82 :LVLVEGTALPLEPAG 1xhnA 113 :HIMLSGTVTKVNETE T0370 98 :PDGVGDTFAEKTGF 1xhnA 128 :MDIAKHSLFIRHPE T0370 112 :DPRRLTTSYLYFRISPRRVQAWREANELS 1xhnA 143 :KTWPSSHNWFFAKLNITNIWVLDYFGGPK Number of specific fragments extracted= 8 number of extra gaps= 0 total=146 Number of alignments=16 # 1xhnA read from 1xhnA/merged-good-all-a2m # found chain 1xhnA in template set T0370 24 :VD 1xhnA 30 :SD T0370 26 :AWVSTAG 1xhnA 33 :GALATIS T0370 35 :GGAPYLVPLSYLWD 1xhnA 45 :RGRPFADVLSLSDG T0370 49 :G 1xhnA 60 :P T0370 50 :ETFLVATPAASPTGRNLSETGRVRLGIG 1xhnA 65 :GVPYFYLSPLQLSVSNLQENPYATLTMT T0370 78 :PTRDL 1xhnA 105 :DPQSP T0370 83 :VLVEGTALPLEPAG 1xhnA 114 :IMLSGTVTKVNETE T0370 98 :PDGVGDTFAEKTG 1xhnA 128 :MDIAKHSLFIRHP T0370 111 :FDPRRLTTSYLYFRISPRRVQAWREANELSG 1xhnA 142 :MKTWPSSHNWFFAKLNITNIWVLDYFGGPKI Number of specific fragments extracted= 9 number of extra gaps= 0 total=155 Number of alignments=17 # 1xhnA read from 1xhnA/merged-good-all-a2m # found chain 1xhnA in template set T0370 33 :ADGGAPYLVP 1xhnA 58 :GPPGAGSGVP T0370 53 :LVATPAASPTGRNLSETGRVRLGIG 1xhnA 68 :YFYLSPLQLSVSNLQENPYATLTMT T0370 78 :PTRD 1xhnA 106 :PQSP T0370 82 :LVLVEGTALPLEPA 1xhnA 113 :HIMLSGTVTKVNET T0370 97 :LPDGVGDTFAEKT 1xhnA 127 :EMDIAKHSLFIRH T0370 110 :GFDPRRLTTSYLYFRISPRRVQAWR 1xhnA 141 :EMKTWPSSHNWFFAKLNITNIWVLD Number of specific fragments extracted= 6 number of extra gaps= 0 total=161 Number of alignments=18 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1t9mA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1t9mA expands to /projects/compbio/data/pdb/1t9m.pdb.gz 1t9mA:Skipped atom 572, because occupancy 0.500 <= existing 0.500 in 1t9mA Skipped atom 574, because occupancy 0.500 <= existing 0.500 in 1t9mA Skipped atom 576, because occupancy 0.500 <= existing 0.500 in 1t9mA Skipped atom 578, because occupancy 0.500 <= existing 0.500 in 1t9mA # T0370 read from 1t9mA/merged-good-all-a2m # 1t9mA read from 1t9mA/merged-good-all-a2m # adding 1t9mA to template set # found chain 1t9mA in template set Warning: unaligning (T0370)R146 because of BadResidue code BAD_PEPTIDE at template residue (1t9mA)D203 Warning: unaligning (T0370)G148 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1t9mA)G206 Warning: unaligning (T0370)E149 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1t9mA)G206 T0370 10 :KQRIQDTLNR 1t9mA 34 :RNWLERARRY T0370 20 :LELDVDAWVSTAGAD 1t9mA 45 :VREPRALALATVDGQ T0370 36 :GAPYLVPLSY 1t9mA 60 :GRPSTRIVVI T0370 46 :LWDGETFLVATPAASPTGRNLSETGRVRLGIGPTRD 1t9mA 71 :ELGERGVVFATHADSQKGRELAQNPWASGVLYWRES T0370 82 :LVLVEGTALPLEPAGLPDGVGD 1t9mA 109 :QIILNGRAERLPDERADAQWLS T0370 104 :TFAEKTGF 1t9mA 157 :EARRLAET T0370 112 :DPRRLTTSYLYFRISPRRVQAWREAN 1t9mA 166 :GPLPRPPGYCLFELCLESVEFWGNGT T0370 138 :ELSGRELM 1t9mA 193 :RLHERLRY T0370 147 :D 1t9mA 204 :E T0370 150 :WLVT 1t9mA 207 :WKHR Number of specific fragments extracted= 10 number of extra gaps= 2 total=171 Number of alignments=19 # 1t9mA read from 1t9mA/merged-good-all-a2m # found chain 1t9mA in template set Warning: unaligning (T0370)G148 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1t9mA)G206 Warning: unaligning (T0370)E149 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1t9mA)G206 T0370 2 :TTPPARTAKQRIQDTLNR 1t9mA 26 :PANPMEVLRNWLERARRY T0370 20 :LE 1t9mA 45 :VR T0370 23 :DVD 1t9mA 47 :EPR T0370 26 :AWVSTAGAD 1t9mA 51 :LALATVDGQ T0370 36 :GAPYLVPLSY 1t9mA 60 :GRPSTRIVVI T0370 46 :LWDGETFLVATPAASPTGRNLSETGRVRLGIGPTRD 1t9mA 71 :ELGERGVVFATHADSQKGRELAQNPWASGVLYWRES T0370 82 :LVLVEGTALPLEPAG 1t9mA 109 :QIILNGRAERLPDER T0370 97 :LPDGVGDTFAEKTG 1t9mA 150 :DIHALRAEARRLAE T0370 111 :FDPRRLTTSYLYFRISPRRVQAWREA 1t9mA 165 :DGPLPRPPGYCLFELCLESVEFWGNG T0370 137 :NELSGRELMR 1t9mA 192 :ERLHERLRYD T0370 147 :D 1t9mA 204 :E T0370 150 :W 1t9mA 207 :W T0370 152 :VTD 1t9mA 212 :LQP Number of specific fragments extracted= 13 number of extra gaps= 1 total=184 Number of alignments=20 # 1t9mA read from 1t9mA/merged-good-all-a2m # found chain 1t9mA in template set T0370 15 :DTLNRLEL 1t9mA 35 :NWLERARR T0370 23 :DVDAWVSTAGADGGAPYLVPLS 1t9mA 47 :EPRALALATVDGQGRPSTRIVV T0370 45 :YLWDGETFLVATPAASPTGRNLSETGRVRLGIGPTRD 1t9mA 70 :AELGERGVVFATHADSQKGRELAQNPWASGVLYWRES T0370 82 :LVLVEGTALPLEPAG 1t9mA 109 :QIILNGRAERLPDER T0370 97 :LPDGVGDTFAEKT 1t9mA 149 :ADIHALRAEARRL T0370 110 :GFDPRRLTTSYLYFRISPRRVQAWR 1t9mA 164 :TDGPLPRPPGYCLFELCLESVEFWG Number of specific fragments extracted= 6 number of extra gaps= 0 total=190 Number of alignments=21 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ejeA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ejeA expands to /projects/compbio/data/pdb/1eje.pdb.gz 1ejeA:# T0370 read from 1ejeA/merged-good-all-a2m # 1ejeA read from 1ejeA/merged-good-all-a2m # adding 1ejeA to template set # found chain 1ejeA in template set Warning: unaligning (T0370)S44 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1ejeA)F48 Warning: unaligning (T0370)Y45 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1ejeA)F48 T0370 2 :TTPPARTAKQRI 1ejeA 14 :DFPVESAHRILT T0370 24 :VDAWVSTAGAD 1ejeA 28 :PTVMVTTVDEE T0370 36 :GAPYLVPL 1ejeA 39 :GNINAAPF T0370 46 :LW 1ejeA 49 :TM T0370 48 :DGETFLVATPAASPTGRNLSETGRVRLGIGP 1ejeA 55 :DPPVVAFASAPDHHTARNIESTHEFVINITP T0370 99 :DGVGDTFAEKT 1ejeA 86 :ADIIERMWVTA T0370 117 :TTSYLYFRISPRRVQAWRE 1ejeA 141 :VGDHNLITGSVVSASVRSG T0370 136 :ANELSGRELMR 1ejeA 162 :KEGLLDVESVK T0370 147 :DGEWLVTD 1ejeA 179 :GNKFVVGD Number of specific fragments extracted= 9 number of extra gaps= 1 total=199 Number of alignments=22 # 1ejeA read from 1ejeA/merged-good-all-a2m # found chain 1ejeA in template set Warning: unaligning (T0370)S44 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1ejeA)F48 Warning: unaligning (T0370)Y45 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1ejeA)F48 T0370 24 :VD 1ejeA 27 :RP T0370 26 :AWVSTAGAD 1ejeA 30 :VMVTTVDEE T0370 36 :GAPYLVPL 1ejeA 39 :GNINAAPF T0370 46 :LWD 1ejeA 51 :PVS T0370 49 :GETFLVATPAASPTGRNLSETGRVRLGIG 1ejeA 56 :PPVVAFASAPDHHTARNIESTHEFVINIT T0370 98 :PDGVGDTFAEKTG 1ejeA 85 :PADIIERMWVTAR T0370 115 :RLTTSYLYFRISPRRVQAWREA 1ejeA 139 :FEVGDHNLITGSVVSASVRSGA T0370 137 :NELSG 1ejeA 163 :EGLLD T0370 142 :RELMRDGEWLVTD 1ejeA 174 :VLHVGGNKFVVGD Number of specific fragments extracted= 9 number of extra gaps= 1 total=208 Number of alignments=23 # 1ejeA read from 1ejeA/merged-good-all-a2m # found chain 1ejeA in template set Warning: unaligning (T0370)S44 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1ejeA)F48 Warning: unaligning (T0370)Y45 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1ejeA)F48 T0370 1 :MTTPPARTAKQRI 1ejeA 13 :EDFPVESAHRILT T0370 23 :DVDAWVSTAGADGGAPYLVPL 1ejeA 26 :PRPTVMVTTVDEEGNINAAPF T0370 46 :L 1ejeA 49 :T T0370 48 :DGETFLVATPAASPTGRNLSETGRVRLGIGP 1ejeA 55 :DPPVVAFASAPDHHTARNIESTHEFVINITP T0370 83 :VLVEGTALPLEPA 1ejeA 129 :GHLECELLRMFEV T0370 118 :TSYLYFRISPRRVQ 1ejeA 142 :GDHNLITGSVVSAS Number of specific fragments extracted= 6 number of extra gaps= 1 total=214 Number of alignments=24 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2fg9A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2fg9A expands to /projects/compbio/data/pdb/2fg9.pdb.gz 2fg9A:Skipped atom 38, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 40, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 42, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 44, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 46, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 48, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 50, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 52, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 54, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 56, because occupancy 0.500 <= existing 0.500 in 2fg9A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 594, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 596, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 598, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 600, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 602, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 604, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 606, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 608, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 610, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 612, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 614, because occupancy 0.500 <= existing 0.500 in 2fg9A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 872, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 874, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 876, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 878, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 880, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 882, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 884, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 886, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 888, because occupancy 0.500 <= existing 0.500 in 2fg9A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 1151, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 1153, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 1155, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 1157, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 1159, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 1161, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 1163, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 1165, because occupancy 0.500 <= existing 0.500 in 2fg9A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0370 read from 2fg9A/merged-good-all-a2m # 2fg9A read from 2fg9A/merged-good-all-a2m # adding 2fg9A to template set # found chain 2fg9A in template set Warning: unaligning (T0370)A59 because of BadResidue code BAD_PEPTIDE in next template residue (2fg9A)G55 Warning: unaligning (T0370)S60 because of BadResidue code BAD_PEPTIDE at template residue (2fg9A)G55 T0370 12 :RIQDTLNRLELDVDAWVSTAGAD 2fg9A 8 :DKQRIESIILQADACFVGITDLE T0370 36 :GAPYLVPLSYLWDGETFLVATPA 2fg9A 31 :GNPYVVPMNFGYENDTLYLHSGP T0370 61 :PTGRNLSETGRVRLGIGPTRDL 2fg9A 56 :GKIEMLQRNNNVCITFSLGHKL T0370 83 :VLVEGTALPLEPAGLPDGVGDTFAEKTGFDPRRLTT 2fg9A 95 :AMCRGKVEFIEDMEEKRHALDIIMRHYTKDQFSYSD T0370 119 :SYLYFRISPRRVQAWR 2fg9A 135 :NVKVWKVPVDQMTGKV Number of specific fragments extracted= 5 number of extra gaps= 1 total=219 Number of alignments=25 # 2fg9A read from 2fg9A/merged-good-all-a2m # found chain 2fg9A in template set Warning: unaligning (T0370)A59 because of BadResidue code BAD_PEPTIDE in next template residue (2fg9A)G55 Warning: unaligning (T0370)S60 because of BadResidue code BAD_PEPTIDE at template residue (2fg9A)G55 T0370 13 :IQDTLNRLE 2fg9A 9 :KQRIESIIL T0370 23 :DVD 2fg9A 18 :QAD T0370 26 :AWVSTAGAD 2fg9A 22 :CFVGITDLE T0370 36 :GAPYLVPLSYLWDGETFLVATPA 2fg9A 31 :GNPYVVPMNFGYENDTLYLHSGP T0370 61 :PTGRNLSETGRVRLGIGPTRDL 2fg9A 56 :GKIEMLQRNNNVCITFSLGHKL T0370 83 :VLVEGTALPLEPAGLPDGVGDTFAEKTGFDPRRLTT 2fg9A 95 :AMCRGKVEFIEDMEEKRHALDIIMRHYTKDQFSYSD T0370 119 :SYLYFRISPRRVQAWREA 2fg9A 135 :NVKVWKVPVDQMTGKVFG Number of specific fragments extracted= 7 number of extra gaps= 1 total=226 Number of alignments=26 # 2fg9A read from 2fg9A/merged-good-all-a2m # found chain 2fg9A in template set Warning: unaligning (T0370)A59 because of BadResidue code BAD_PEPTIDE in next template residue (2fg9A)G55 Warning: unaligning (T0370)S60 because of BadResidue code BAD_PEPTIDE at template residue (2fg9A)G55 T0370 9 :AKQRIQDTLNRLELDVDAWVSTAGADGGAPYLVPLSYLWDGETFLVATPA 2fg9A 4 :IVIEDKQRIESIILQADACFVGITDLEGNPYVVPMNFGYENDTLYLHSGP T0370 61 :PTGRNLSETGRVRLGIGPTRD 2fg9A 56 :GKIEMLQRNNNVCITFSLGHK T0370 83 :VLVEGTALPLEPAGLPDGVGDTFAEKTGFDPRRLT 2fg9A 95 :AMCRGKVEFIEDMEEKRHALDIIMRHYTKDQFSYS T0370 118 :TSYLYFRISPRRVQA 2fg9A 134 :RNVKVWKVPVDQMTG Number of specific fragments extracted= 4 number of extra gaps= 1 total=230 Number of alignments=27 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2asfA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2asfA expands to /projects/compbio/data/pdb/2asf.pdb.gz 2asfA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 546, because occupancy 0.500 <= existing 0.500 in 2asfA Skipped atom 548, because occupancy 0.250 <= existing 0.750 in 2asfA # T0370 read from 2asfA/merged-good-all-a2m # 2asfA read from 2asfA/merged-good-all-a2m # adding 2asfA to template set # found chain 2asfA in template set Warning: unaligning (T0370)I13 because first residue in template chain is (2asfA)S11 Warning: unaligning (T0370)L43 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2asfA)G41 Warning: unaligning (T0370)S44 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2asfA)G41 Warning: unaligning (T0370)G141 because last residue in template chain is (2asfA)D135 T0370 14 :QDTLNRLELDVDAWVSTAGAD 2asfA 12 :DDALAFLSERHLAMLTTLRAD T0370 36 :GAPYLVP 2asfA 33 :NSPHVVA T0370 45 :YLWDGE 2asfA 42 :FTFDPK T0370 51 :TFLVATPAASPTGRNLSETGRVRLGIGPTRDLVLVEGTALPLEPAGLPDGVGDTFAEKTG 2asfA 50 :IARVITTGGSQKAVNADRSGLAVLSQVDGARWLSLEGRAAVNSDIDAVRDAELRYAQRYR T0370 113 :PRRLTTSYLYFRISPRRVQAW 2asfA 110 :TPRPNPRRVVIEVQIERVLGS T0370 137 :NELS 2asfA 131 :ADLL Number of specific fragments extracted= 6 number of extra gaps= 1 total=236 Number of alignments=28 # 2asfA read from 2asfA/merged-good-all-a2m # found chain 2asfA in template set Warning: unaligning (T0370)I13 because first residue in template chain is (2asfA)S11 Warning: unaligning (T0370)L43 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2asfA)G41 Warning: unaligning (T0370)S44 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2asfA)G41 Warning: unaligning (T0370)G141 because last residue in template chain is (2asfA)D135 T0370 14 :QDTLNRLE 2asfA 12 :DDALAFLS T0370 23 :DVD 2asfA 20 :ERH T0370 26 :AWVSTAGAD 2asfA 24 :AMLTTLRAD T0370 36 :GAPYLVP 2asfA 33 :NSPHVVA T0370 45 :YLWD 2asfA 42 :FTFD T0370 49 :GETFLVATPAASPTGRNLSETGRVRLGIGPTRDLVLVEGTALPLEPAGLPDGVGDTFAEKTGFD 2asfA 48 :THIARVITTGGSQKAVNADRSGLAVLSQVDGARWLSLEGRAAVNSDIDAVRDAELRYAQRYRTP T0370 115 :RLTTSYLYFRISPRRVQAW 2asfA 112 :RPNPRRVVIEVQIERVLGS T0370 137 :NELS 2asfA 131 :ADLL Number of specific fragments extracted= 8 number of extra gaps= 1 total=244 Number of alignments=29 # 2asfA read from 2asfA/merged-good-all-a2m # found chain 2asfA in template set Warning: unaligning (T0370)I13 because first residue in template chain is (2asfA)S11 Warning: unaligning (T0370)L43 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2asfA)G41 Warning: unaligning (T0370)S44 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2asfA)G41 T0370 15 :DTLNRLELDVDAWVSTAGADGGAPYLVP 2asfA 12 :DDALAFLSERHLAMLTTLRADNSPHVVA T0370 45 :YLWDGE 2asfA 42 :FTFDPK T0370 51 :TFLVATPAASPTGRNLSETGRVRLGIGPTRDLVLVEGTALPLEPAGLPDGVGDTFAEKT 2asfA 50 :IARVITTGGSQKAVNADRSGLAVLSQVDGARWLSLEGRAAVNSDIDAVRDAELRYAQRY T0370 112 :DPRRLTTSYLYFRISPRRVQA 2asfA 109 :RTPRPNPRRVVIEVQIERVLG Number of specific fragments extracted= 4 number of extra gaps= 1 total=248 Number of alignments=30 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1xxoA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1xxoA expands to /projects/compbio/data/pdb/1xxo.pdb.gz 1xxoA:# T0370 read from 1xxoA/merged-good-all-a2m # 1xxoA read from 1xxoA/merged-good-all-a2m # adding 1xxoA to template set # found chain 1xxoA in template set Warning: unaligning (T0370)Q11 because first residue in template chain is (1xxoA)V5 T0370 12 :RIQDTLNRLELDVDAWVSTAGAD 1xxoA 6 :FDDKLLAVISGNSIGVLATIKHD T0370 36 :GAPYLVPLSYLWDGE 1xxoA 29 :GRPQLSNVQYHFDPR T0370 51 :TFLVATPAASPTGRNLSETGRVRLGIG 1xxoA 46 :LIQVSIAEPRAKTRNLRRDPRASILVD T0370 78 :PTRDLVLVEGTALPLE 1xxoA 75 :DGWSYAVAEGTAQLTP T0370 94 :PAGLPDGVGDTFAEKTGFDPRRL 1xxoA 96 :DDDTVEALIALYRNIAGEHSDWD T0370 117 :TTSYLYFRISPRRVQAWREAN 1xxoA 126 :TDRRVLLTLPISHVYGLPPGM Number of specific fragments extracted= 6 number of extra gaps= 0 total=254 Number of alignments=31 # 1xxoA read from 1xxoA/merged-good-all-a2m # found chain 1xxoA in template set T0370 14 :QDTLNRLE 1xxoA 8 :DKLLAVIS T0370 23 :DVD 1xxoA 16 :GNS T0370 26 :AWVSTAGAD 1xxoA 20 :GVLATIKHD T0370 36 :GAPYLVPLSYLWD 1xxoA 29 :GRPQLSNVQYHFD T0370 49 :GETFLVATPAASPTGRNLSETGRVRLGIG 1xxoA 44 :KLLIQVSIAEPRAKTRNLRRDPRASILVD T0370 78 :PTRDLVLVEGTALPLE 1xxoA 75 :DGWSYAVAEGTAQLTP T0370 95 :AG 1xxoA 95 :PD T0370 97 :LPDGVGDTFAE 1xxoA 116 :DWDDYRQAMVT T0370 118 :TSYLYFRISPRRVQAWREAN 1xxoA 127 :DRRVLLTLPISHVYGLPPGM Number of specific fragments extracted= 9 number of extra gaps= 0 total=263 Number of alignments=32 # 1xxoA read from 1xxoA/merged-good-all-a2m # found chain 1xxoA in template set Warning: unaligning (T0370)Q11 because first residue in template chain is (1xxoA)V5 T0370 12 :RIQDTLNRLEL 1xxoA 6 :FDDKLLAVISG T0370 24 :VDAWVSTAGADGGAPYLVPLSYLWDGE 1xxoA 17 :NSIGVLATIKHDGRPQLSNVQYHFDPR T0370 51 :TFLVATPAASPTGRNLSETGRVRLGIGPTRD 1xxoA 46 :LIQVSIAEPRAKTRNLRRDPRASILVDADDG T0370 82 :LVLVEGTALPLEPAG 1xxoA 79 :YAVAEGTAQLTPPAA T0370 97 :LPDGVGDTFAEKTGFDPRRLT 1xxoA 95 :PDDDTVEALIALYRNIAGEHS T0370 118 :TSYLYFRISPRRVQA 1xxoA 127 :DRRVLLTLPISHVYG Number of specific fragments extracted= 6 number of extra gaps= 0 total=269 Number of alignments=33 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1w9aA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0370 read from 1w9aA/merged-good-all-a2m # 1w9aA read from 1w9aA/merged-good-all-a2m # found chain 1w9aA in training set Warning: unaligning (T0370)R12 because first residue in template chain is (1w9aA)F6 T0370 13 :IQDTLNRLELDVDAWVSTAGAD 1w9aA 7 :DDKLLAVISGNSIGVLATIKHD T0370 36 :GAPYLVPLSYLWDGE 1w9aA 29 :GRPQLSNVQYHFDPR T0370 51 :TFLVATPAASPTGRNLSETGRVRLGIG 1w9aA 46 :LIQVSIAEPRAKTRNLRRDPRASILVD T0370 78 :PTRDLVLVEGTALPLE 1w9aA 75 :DGWSYAVAEGTAQLTP T0370 94 :PA 1w9aA 96 :DD T0370 100 :GVGDTFAEKT 1w9aA 98 :DTVEALIALY T0370 110 :GFDPRRL 1w9aA 112 :GEHSDWD T0370 117 :TTSYLYFRISPRRVQAWREAN 1w9aA 126 :TDRRVLLTLPISHVYGLPPGM Number of specific fragments extracted= 8 number of extra gaps= 0 total=277 Number of alignments=34 # 1w9aA read from 1w9aA/merged-good-all-a2m # found chain 1w9aA in training set T0370 14 :QDTLNRLE 1w9aA 8 :DKLLAVIS T0370 23 :DVD 1w9aA 16 :GNS T0370 26 :AWVSTAGAD 1w9aA 20 :GVLATIKHD T0370 36 :GAPYLVPLSYLWD 1w9aA 29 :GRPQLSNVQYHFD T0370 49 :GETFLVATPAASPTGRNLSETGRVRLGIG 1w9aA 44 :KLLIQVSIAEPRAKTRNLRRDPRASILVD T0370 78 :PTRDLVLVEGTALPLE 1w9aA 75 :DGWSYAVAEGTAQLTP T0370 95 :AG 1w9aA 95 :PD T0370 97 :LPDGVGDTFAE 1w9aA 116 :DWDDYRQAMVT T0370 118 :TSYLYFRISPRRVQAWREAN 1w9aA 127 :DRRVLLTLPISHVYGLPPGM Number of specific fragments extracted= 9 number of extra gaps= 0 total=286 Number of alignments=35 # 1w9aA read from 1w9aA/merged-good-all-a2m # found chain 1w9aA in training set Warning: unaligning (T0370)R12 because first residue in template chain is (1w9aA)F6 T0370 13 :IQDTLNRLE 1w9aA 7 :DDKLLAVIS T0370 23 :DVDAWVSTAGADGGAPYLVPLSYLWDGE 1w9aA 16 :GNSIGVLATIKHDGRPQLSNVQYHFDPR T0370 51 :TFLVATPAASPTGRNLSETGRVRLGIGPTRD 1w9aA 46 :LIQVSIAEPRAKTRNLRRDPRASILVDADDG T0370 82 :LVLVEGTALPLEPAG 1w9aA 79 :YAVAEGTAQLTPPAA T0370 97 :LPDGVGDTFAEKTGFDPRRLT 1w9aA 95 :PDDDTVEALIALYRNIAGEHS T0370 118 :TSYLYFRISPRRVQAW 1w9aA 127 :DRRVLLTLPISHVYGL Number of specific fragments extracted= 6 number of extra gaps= 0 total=292 Number of alignments=36 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2aq6A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2aq6A expands to /projects/compbio/data/pdb/2aq6.pdb.gz 2aq6A:# T0370 read from 2aq6A/merged-good-all-a2m # 2aq6A read from 2aq6A/merged-good-all-a2m # adding 2aq6A to template set # found chain 2aq6A in template set Warning: unaligning (T0370)Q11 because first residue in template chain is (2aq6A)V5 T0370 12 :RIQDTLNRLELDVDAWVSTAGAD 2aq6A 6 :FDDKLLAVISGNSIGVLATIKHD T0370 36 :GAPYLVPLSYLWDGE 2aq6A 29 :GRPQLSNVQYHFDPR T0370 51 :TFLVATPAASPTGRNLSETGRVRLGIG 2aq6A 46 :LIQVSIAEPRAKTRNLRRDPRASILVD T0370 78 :PTRDLVLVEGTALPLE 2aq6A 75 :DGWSYAVAEGTAQLTP T0370 94 :PAGLPDGVGDTFAEKTGFDPRRL 2aq6A 96 :DDDTVEALIALYRNIAGEHSDWD T0370 117 :TTSYLYFRISPRRVQAWREA 2aq6A 126 :TDRRVLLTLPISHVYGLPPG Number of specific fragments extracted= 6 number of extra gaps= 0 total=298 Number of alignments=37 # 2aq6A read from 2aq6A/merged-good-all-a2m # found chain 2aq6A in template set Warning: unaligning (T0370)P5 because first residue in template chain is (2aq6A)V5 T0370 6 :AR 2aq6A 6 :FD T0370 14 :QDTLNRLE 2aq6A 8 :DKLLAVIS T0370 23 :DVD 2aq6A 16 :GNS T0370 26 :AWVSTAGAD 2aq6A 20 :GVLATIKHD T0370 36 :GAPYLVPLSYLWD 2aq6A 29 :GRPQLSNVQYHFD T0370 49 :GETFLVATPAASPTGRNLSETGRVRLGIG 2aq6A 44 :KLLIQVSIAEPRAKTRNLRRDPRASILVD T0370 78 :PTRDLVLVEGTALPLE 2aq6A 75 :DGWSYAVAEGTAQLTP T0370 95 :AG 2aq6A 95 :PD T0370 97 :LPDGVGDTFAE 2aq6A 116 :DWDDYRQAMVT T0370 118 :TSYLYFRISPRRVQAWREA 2aq6A 127 :DRRVLLTLPISHVYGLPPG Number of specific fragments extracted= 10 number of extra gaps= 0 total=308 Number of alignments=38 # 2aq6A read from 2aq6A/merged-good-all-a2m # found chain 2aq6A in template set Warning: unaligning (T0370)R12 because first residue in template chain is (2aq6A)V5 T0370 13 :IQDTLNRLELDVDAWVSTAGADGGAPYLVPLSYLWDGE 2aq6A 6 :FDDKLLAVISGNSIGVLATIKHDGRPQLSNVQYHFDPR T0370 51 :TFLVATPAASPTGRNLSETGRVRLGIGPTRD 2aq6A 46 :LIQVSIAEPRAKTRNLRRDPRASILVDADDG T0370 82 :LVLVEGTALPLEPAG 2aq6A 79 :YAVAEGTAQLTPPAA T0370 97 :LPDGVGDTFAEKTGFDPRRLT 2aq6A 95 :PDDDTVEALIALYRNIAGEHS T0370 118 :TSYLYFRISPRRVQA 2aq6A 127 :DRRVLLTLPISHVYG Number of specific fragments extracted= 5 number of extra gaps= 0 total=313 Number of alignments=39 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1nrgA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1nrgA expands to /projects/compbio/data/pdb/1nrg.pdb.gz 1nrgA:Skipped atom 861, because occupancy 0.500 <= existing 0.500 in 1nrgA Skipped atom 863, because occupancy 0.500 <= existing 0.500 in 1nrgA Skipped atom 1438, because occupancy 0.500 <= existing 0.500 in 1nrgA Skipped atom 1440, because occupancy 0.500 <= existing 0.500 in 1nrgA Skipped atom 1442, because occupancy 0.500 <= existing 0.500 in 1nrgA Skipped atom 1444, because occupancy 0.500 <= existing 0.500 in 1nrgA Skipped atom 1446, because occupancy 0.500 <= existing 0.500 in 1nrgA Skipped atom 1448, because occupancy 0.500 <= existing 0.500 in 1nrgA Skipped atom 1450, because occupancy 0.500 <= existing 0.500 in 1nrgA # T0370 read from 1nrgA/merged-good-all-a2m # 1nrgA read from 1nrgA/merged-good-all-a2m # adding 1nrgA to template set # found chain 1nrgA in template set T0370 11 :QRIQDTLNR 1nrgA 64 :AWFEEAVQC T0370 20 :LELDVDAWVSTAGAD 1nrgA 75 :IGEANAMCLATCTRD T0370 36 :GAPYLVPLSY 1nrgA 90 :GKPSARMLLL T0370 46 :LWDGETFLVATPAASPTGRNLSETGRVRLGIGP 1nrgA 101 :GFGKDGFRFFTNFESRKGKELDSNPFASLVFYW T0370 79 :TRDLVLVEGTALPLEPAGLPDGVGD 1nrgA 136 :LNRQVRVEGPVKKLPEEEAECYFHS T0370 104 :TFAEKTGFDPRRLTTSYLYFRISPRRVQAWREAN 1nrgA 190 :ELEQLYQDQEVPKPKSWGGYVLYPQVMEFWQGQT T0370 138 :ELSGRELMR 1nrgA 225 :RLHDRIVFR T0370 147 :DGEWLVT 1nrgA 238 :TGDSPLG Number of specific fragments extracted= 8 number of extra gaps= 0 total=321 Number of alignments=40 # 1nrgA read from 1nrgA/merged-good-all-a2m # found chain 1nrgA in template set T0370 2 :TTPPARTAKQRIQDTLNR 1nrgA 55 :SLDPVKQFAAWFEEAVQC T0370 20 :LE 1nrgA 75 :IG T0370 23 :DVD 1nrgA 77 :EAN T0370 26 :AWVSTAGAD 1nrgA 81 :MCLATCTRD T0370 36 :GAPYLVPLSY 1nrgA 90 :GKPSARMLLL T0370 46 :LWDGETFLVATPAASPTGRNLSETGRVRLGIG 1nrgA 101 :GFGKDGFRFFTNFESRKGKELDSNPFASLVFY T0370 78 :PTRDLVLVEGTALPLEPAG 1nrgA 135 :PLNRQVRVEGPVKKLPEEE T0370 97 :LPDGVGDTFAEKTGFDPRRLTTSYLYFRISPRRVQAWREA 1nrgA 183 :YLRKKNEELEQLYQDQEVPKPKSWGGYVLYPQVMEFWQGQ T0370 137 :NELSGRELMR 1nrgA 224 :NRLHDRIVFR Number of specific fragments extracted= 9 number of extra gaps= 0 total=330 Number of alignments=41 # 1nrgA read from 1nrgA/merged-good-all-a2m # found chain 1nrgA in template set T0370 15 :DTLNRLEL 1nrgA 64 :AWFEEAVQ T0370 23 :DVDAWVSTAGADGGAPYLVPLS 1nrgA 77 :EANAMCLATCTRDGKPSARMLL T0370 47 :WDGETFLVATPAASPTGRNLSETGRVRLGIGPTRD 1nrgA 102 :FGKDGFRFFTNFESRKGKELDSNPFASLVFYWEPL T0370 83 :VLVEGTALP 1nrgA 140 :VRVEGPVKK T0370 92 :LEPAGLPDGVGDTFAEKTGFDPRRLTTSYLYFRISPRRVQAWREA 1nrgA 178 :IPDREYLRKKNEELEQLYQDQEVPKPKSWGGYVLYPQVMEFWQGQ Number of specific fragments extracted= 5 number of extra gaps= 0 total=335 Number of alignments=42 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1axj/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1axj expands to /projects/compbio/data/pdb/1axj.pdb.gz 1axj:Warning: there is no chain 1axj will retry with 1axjA # T0370 read from 1axj/merged-good-all-a2m # 1axj read from 1axj/merged-good-all-a2m # adding 1axj to template set # found chain 1axj in template set Warning: unaligning (T0370)A59 because of BadResidue code BAD_PEPTIDE in next template residue (1axj)H52 Warning: unaligning (T0370)S60 because of BadResidue code BAD_PEPTIDE at template residue (1axj)H52 Warning: unaligning (T0370)R129 because of BadResidue code BAD_PEPTIDE in next template residue (1axj)A118 Warning: unaligning (T0370)V130 because of BadResidue code BAD_PEPTIDE at template residue (1axj)A118 T0370 12 :RIQDTLNRLELDVDAWVSTAGAD 1axj 2 :LPGTFFEVLKNEGVVAIATQGED T0370 36 :G 1axj 25 :G T0370 38 :PYLVPLSY 1axj 26 :PHLVNTWN T0370 46 :LWDGETFLVATPA 1axj 38 :VLDGNRIVVPVGG T0370 61 :PTGRNLSETGRVRLGIGP 1axj 53 :KTEANVARDERVLMTLGS T0370 79 :TRD 1axj 78 :GPG T0370 82 :LVLVEGTALPLEP 1axj 82 :GFLIRGSAAFRTD T0370 99 :DGVGDTFA 1axj 95 :GPEFEAIA T0370 115 :RLTTSYLYFRISPR 1axj 103 :RFKWARAALVITVV T0370 131 :QA 1axj 119 :EQ Number of specific fragments extracted= 10 number of extra gaps= 2 total=345 Number of alignments=43 # 1axj read from 1axj/merged-good-all-a2m # found chain 1axj in template set Warning: unaligning (T0370)A59 because of BadResidue code BAD_PEPTIDE in next template residue (1axj)H52 Warning: unaligning (T0370)S60 because of BadResidue code BAD_PEPTIDE at template residue (1axj)H52 Warning: unaligning (T0370)R129 because of BadResidue code BAD_PEPTIDE in next template residue (1axj)A118 Warning: unaligning (T0370)V130 because of BadResidue code BAD_PEPTIDE at template residue (1axj)A118 T0370 14 :QDTLNRLELDVDAWVSTAGAD 1axj 4 :GTFFEVLKNEGVVAIATQGED T0370 36 :G 1axj 25 :G T0370 38 :PYLVPLSY 1axj 26 :PHLVNTWN T0370 46 :LWDGETFLVATPA 1axj 38 :VLDGNRIVVPVGG T0370 61 :PTGRNLSETGRVRLGIG 1axj 53 :KTEANVARDERVLMTLG T0370 78 :PTRDLVLVEGTALPLEP 1axj 78 :GPGTGFLIRGSAAFRTD T0370 99 :DGVGDTFAEKTGF 1axj 95 :GPEFEAIARFKWA T0370 120 :YLYFRISPR 1axj 108 :RAALVITVV T0370 131 :QA 1axj 119 :EQ Number of specific fragments extracted= 9 number of extra gaps= 2 total=354 Number of alignments=44 # 1axj read from 1axj/merged-good-all-a2m # found chain 1axj in template set Warning: unaligning (T0370)A59 because of BadResidue code BAD_PEPTIDE in next template residue (1axj)H52 Warning: unaligning (T0370)S60 because of BadResidue code BAD_PEPTIDE at template residue (1axj)H52 Warning: unaligning (T0370)R129 because of BadResidue code BAD_PEPTIDE in next template residue (1axj)A118 Warning: unaligning (T0370)V130 because of BadResidue code BAD_PEPTIDE at template residue (1axj)A118 T0370 13 :IQ 1axj 3 :PG T0370 16 :TLNRLELDVDAWVSTAGADGG 1axj 5 :TFFEVLKNEGVVAIATQGEDG T0370 38 :PYLVPLS 1axj 26 :PHLVNTW T0370 46 :LWDGETFLVATPA 1axj 38 :VLDGNRIVVPVGG T0370 61 :PTGRNLSETGRVRLGIGPTRD 1axj 53 :KTEANVARDERVLMTLGSRKV T0370 82 :LVLVEGTALPLEPAGL 1axj 82 :GFLIRGSAAFRTDGPE T0370 102 :GDTF 1axj 98 :FEAI T0370 114 :RRLTTSYLYFRISPR 1axj 102 :ARFKWARAALVITVV Number of specific fragments extracted= 8 number of extra gaps= 2 total=362 Number of alignments=45 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2a2jA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0370/2a2jA/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0370/2a2jA/merged-good-all-a2m.gz for input Trying 2a2jA/merged-good-all-a2m Error: Couldn't open file 2a2jA/merged-good-all-a2m or 2a2jA/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 2fhqA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2fhqA expands to /projects/compbio/data/pdb/2fhq.pdb.gz 2fhqA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 121, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 123, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 125, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 127, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 129, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 131, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 133, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 135, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 137, because occupancy 0.500 <= existing 0.500 in 2fhqA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 596, because occupancy 0.500 <= existing 0.500 in 2fhqA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 598, because occupancy 0.500 <= existing 0.500 in 2fhqA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 600, because occupancy 0.500 <= existing 0.500 in 2fhqA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 602, because occupancy 0.500 <= existing 0.500 in 2fhqA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 604, because occupancy 0.500 <= existing 0.500 in 2fhqA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 606, because occupancy 0.500 <= existing 0.500 in 2fhqA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 610, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 705, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 707, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 709, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 711, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 713, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 715, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 717, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 719, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 721, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 949, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 951, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 953, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 955, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 957, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 959, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 961, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 963, because occupancy 0.500 <= existing 0.500 in 2fhqA # T0370 read from 2fhqA/merged-good-all-a2m # 2fhqA read from 2fhqA/merged-good-all-a2m # adding 2fhqA to template set # found chain 2fhqA in template set Warning: unaligning (T0370)A9 because first residue in template chain is (2fhqA)T3 T0370 10 :KQRIQDTLNRLELDVDAWVSTAGAD 2fhqA 4 :KTMKEKAVELLQKCEVVTLASVNKE T0370 36 :GAPYLVPLSY 2fhqA 29 :GYPRPVPMSK T0370 46 :LWDG 2fhqA 40 :AAEG T0370 50 :ETFLVATPAASPTGRNLSETGRVRLGIGPTRDLVLVEGTALPLEPAGLPDGVG 2fhqA 45 :STIWMSTGADSLKTIDFLSNPKAGLCFQEKGDSVALMGEVEVVTDEKLKQELW T0370 110 :GFDPRRLTTSYLYFRISPRRVQAW 2fhqA 104 :HFPGGPTDPGYVLLKFTANHATYW T0370 146 :RDGEWLVTD 2fhqA 128 :IEGTFIHKK Number of specific fragments extracted= 6 number of extra gaps= 0 total=368 Number of alignments=46 # 2fhqA read from 2fhqA/merged-good-all-a2m # found chain 2fhqA in template set Warning: unaligning (T0370)T3 because first residue in template chain is (2fhqA)T3 T0370 4 :PPA 2fhqA 4 :KTM T0370 13 :IQDTLNRLE 2fhqA 7 :KEKAVELLQ T0370 23 :DVD 2fhqA 16 :KCE T0370 26 :AWVSTAGAD 2fhqA 20 :VTLASVNKE T0370 36 :GAPYLVPLSY 2fhqA 29 :GYPRPVPMSK T0370 46 :LWDG 2fhqA 40 :AAEG T0370 50 :ETFLVATPAASPTGRNLSETGRVRLGIGPTRDLVLVEGTALPLEPAGLPDGVG 2fhqA 45 :STIWMSTGADSLKTIDFLSNPKAGLCFQEKGDSVALMGEVEVVTDEKLKQELW T0370 103 :DTFAEKTGFD 2fhqA 99 :DWFIEHFPGG T0370 115 :RLTTSYLYFRISPRRVQAWREANELSG 2fhqA 109 :PTDPGYVLLKFTANHATYWIEGTFIHK Number of specific fragments extracted= 9 number of extra gaps= 0 total=377 Number of alignments=47 # 2fhqA read from 2fhqA/merged-good-all-a2m # found chain 2fhqA in template set Warning: unaligning (T0370)K10 because first residue in template chain is (2fhqA)T3 T0370 11 :QRIQDTLNRLELDVDAWVSTAGADGGAPYLVPLS 2fhqA 4 :KTMKEKAVELLQKCEVVTLASVNKEGYPRPVPMS T0370 45 :YLWDG 2fhqA 39 :IAAEG T0370 50 :ETFLVATPAASPTGRNLSETGRVRLGIGPTRDLVLVEGTALPLEPAGLPDG 2fhqA 45 :STIWMSTGADSLKTIDFLSNPKAGLCFQEKGDSVALMGEVEVVTDEKLKQE T0370 108 :KT 2fhqA 96 :LW T0370 110 :GFDPRRLTTSYLYFRISPRRVQAWR 2fhqA 104 :HFPGGPTDPGYVLLKFTANHATYWI Number of specific fragments extracted= 5 number of extra gaps= 0 total=382 Number of alignments=48 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1rfeA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1rfeA expands to /projects/compbio/data/pdb/1rfe.pdb.gz 1rfeA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 250, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 252, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 254, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 256, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 258, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 260, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 262, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 264, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 266, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 268, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 282, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 284, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 286, because occupancy 0.350 <= existing 0.650 in 1rfeA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: OD for alphabet: pdb_atoms Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 1077, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 1079, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 1081, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 1083, because occupancy 0.350 <= existing 0.650 in 1rfeA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0370 read from 1rfeA/merged-good-all-a2m # 1rfeA read from 1rfeA/merged-good-all-a2m # adding 1rfeA to template set # found chain 1rfeA in template set Warning: unaligning (T0370)T3 because first residue in template chain is (1rfeA)T3 Warning: unaligning (T0370)L43 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rfeA)W43 Warning: unaligning (T0370)S44 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1rfeA)W43 Warning: unaligning (T0370)A89 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rfeA)E94 Warning: unaligning (T0370)L90 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1rfeA)E94 Warning: unaligning (T0370)L116 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1rfeA)K122 T0370 4 :PPARTAKQRIQDTLNRLELDVDAWVSTAGAD 1rfeA 4 :KQRADIVMSEAEIADFVNSSRTGTLATIGPD T0370 36 :GAPYLVP 1rfeA 35 :GQPHLTA T0370 45 :YLWDGETFLVATPAASPTGRNLSETGRVRLGIGP 1rfeA 44 :YAVIDGEIWLETKAKSQKAVNLRRDPRVSFLLED T0370 79 :TRD 1rfeA 80 :TYD T0370 82 :LVLVEGT 1rfeA 86 :GVSFEGV T0370 91 :PLEPAGLPDGVGDTFAEKTGFDPRR 1rfeA 95 :IVEEPEALHRVGVSVWERYTGPYTD T0370 117 :TTSYLYFRISPRRVQAWREAN 1rfeA 129 :MNKRVGVRIVARRTRSWDHRK T0370 138 :ELSGRELMRDG 1rfeA 151 :GLPHMSVGGST Number of specific fragments extracted= 8 number of extra gaps= 2 total=390 Number of alignments=49 # 1rfeA read from 1rfeA/merged-good-all-a2m # found chain 1rfeA in template set Warning: unaligning (T0370)L43 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rfeA)W43 Warning: unaligning (T0370)S44 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1rfeA)W43 Warning: unaligning (T0370)A89 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rfeA)E94 Warning: unaligning (T0370)L90 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1rfeA)E94 T0370 14 :QDTLNRLE 1rfeA 14 :AEIADFVN T0370 23 :DVD 1rfeA 22 :SSR T0370 26 :AWVSTAGAD 1rfeA 26 :GTLATIGPD T0370 36 :GAPYLVP 1rfeA 35 :GQPHLTA T0370 45 :YLWDGETFLVATPAASPTGRNLSETGRVRLGIG 1rfeA 44 :YAVIDGEIWLETKAKSQKAVNLRRDPRVSFLLE T0370 78 :PTRD 1rfeA 79 :DTYD T0370 83 :VLVEGT 1rfeA 87 :VSFEGV T0370 91 :PLEPAGLPDGVGDTFAEKTGFDPR 1rfeA 95 :IVEEPEALHRVGVSVWERYTGPYT T0370 115 :RLTTSYLYFRISPRRVQAWREA 1rfeA 127 :QMMNKRVGVRIVARRTRSWDHR T0370 137 :NEL 1rfeA 151 :GLP Number of specific fragments extracted= 10 number of extra gaps= 2 total=400 Number of alignments=50 # 1rfeA read from 1rfeA/merged-good-all-a2m # found chain 1rfeA in template set Warning: unaligning (T0370)P4 because first residue in template chain is (1rfeA)T3 Warning: unaligning (T0370)L43 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rfeA)W43 Warning: unaligning (T0370)S44 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1rfeA)W43 Warning: unaligning (T0370)A89 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rfeA)E94 Warning: unaligning (T0370)L90 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1rfeA)E94 Warning: unaligning (T0370)L116 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1rfeA)K122 T0370 5 :PARTAKQRIQDTLNRLELDVDAWVSTAGADGGAPYLVP 1rfeA 4 :KQRADIVMSEAEIADFVNSSRTGTLATIGPDGQPHLTA T0370 45 :YLWDGETFLVATPAASPTGRNLSETGRVRLGIGPTRD 1rfeA 44 :YAVIDGEIWLETKAKSQKAVNLRRDPRVSFLLEDGDT T0370 83 :VLVEGT 1rfeA 87 :VSFEGV T0370 91 :PLEPAGLPDGVGDTFAEKTGFDPRR 1rfeA 95 :IVEEPEALHRVGVSVWERYTGPYTD T0370 118 :TSYLYFRISPRRVQAWREA 1rfeA 130 :NKRVGVRIVARRTRSWDHR Number of specific fragments extracted= 5 number of extra gaps= 2 total=405 Number of alignments=51 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ci0A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ci0A expands to /projects/compbio/data/pdb/1ci0.pdb.gz 1ci0A:# T0370 read from 1ci0A/merged-good-all-a2m # 1ci0A read from 1ci0A/merged-good-all-a2m # adding 1ci0A to template set # found chain 1ci0A in template set T0370 2 :TTPPARTAKQRIQ 1ci0A 25 :TLNEKQLTDDPID T0370 15 :DTLNRLELDV 1ci0A 41 :KWFNEAKEDP T0370 25 :DAWVSTAGADGGAPYLVPLSYL 1ci0A 57 :AITFSSAELPSGRVSSRILLFK T0370 47 :WDGETFLVATPAA 1ci0A 80 :LDHRGFTIYSNWG T0370 60 :SPTGRNLSETGRVRLGIG 1ci0A 94 :SRKAHDIATNPNAAIVFF T0370 78 :PTRDLVLVEGTALPLEPAGLPDGVGD 1ci0A 114 :DLQRQVRVEGITEHVNRETSERYFKT T0370 104 :TFAEKT 1ci0A 169 :KNTERF T0370 110 :GFDPRRLTTSYLYFRISPRRVQAWREAN 1ci0A 176 :DAEDIPCPDYWGGLRIVPLEIEFWQGRP T0370 138 :ELSGRELMR 1ci0A 205 :RLHDRFVYR T0370 147 :DGEWLVT 1ci0A 218 :NDPWKVV Number of specific fragments extracted= 10 number of extra gaps= 0 total=415 Number of alignments=52 # 1ci0A read from 1ci0A/merged-good-all-a2m # found chain 1ci0A in template set T0370 1 :MTTPPARTAKQRIQDTLNR 1ci0A 31 :LTDDPIDLFTKWFNEAKED T0370 20 :LE 1ci0A 52 :ET T0370 23 :DVD 1ci0A 54 :LPE T0370 26 :AWVSTAGADGGAPYLVPLSY 1ci0A 58 :ITFSSAELPSGRVSSRILLF T0370 46 :LWDGETFLVATPAA 1ci0A 79 :ELDHRGFTIYSNWG T0370 60 :SPTGRNLSETGRVRLGIG 1ci0A 94 :SRKAHDIATNPNAAIVFF T0370 78 :PTRDLVLVEGTALPLEPAG 1ci0A 114 :DLQRQVRVEGITEHVNRET T0370 97 :LPDGVGDTFAEKTG 1ci0A 162 :ELDELTQKNTERFK T0370 111 :FDPRRLTTSYLYFRISPRRVQAWREA 1ci0A 177 :AEDIPCPDYWGGLRIVPLEIEFWQGR T0370 137 :NELSGRELMR 1ci0A 204 :SRLHDRFVYR T0370 147 :DGEW 1ci0A 218 :NDPW T0370 151 :L 1ci0A 223 :V T0370 152 :VTD 1ci0A 226 :LAP Number of specific fragments extracted= 13 number of extra gaps= 0 total=428 Number of alignments=53 # 1ci0A read from 1ci0A/merged-good-all-a2m # found chain 1ci0A in template set T0370 7 :RTAKQRIQDTLNRLELDVD 1ci0A 33 :DDPIDLFTKWFNEAKEDPR T0370 26 :AWVSTAGA 1ci0A 57 :AITFSSAE T0370 34 :DGGAPYLVPLSYL 1ci0A 66 :PSGRVSSRILLFK T0370 47 :WDGETFLVA 1ci0A 80 :LDHRGFTIY T0370 56 :TPAASPTGRNLSETGRVRLGIGPTRD 1ci0A 90 :NWGTSRKAHDIATNPNAAIVFFWKDL T0370 82 :LVLVEGTALP 1ci0A 118 :QVRVEGITEH T0370 92 :LEPAGLPDGVGDTFAEKT 1ci0A 157 :IKNREELDELTQKNTERF T0370 110 :GFDPRRLTTSYLYFRISPRRVQAWREA 1ci0A 176 :DAEDIPCPDYWGGLRIVPLEIEFWQGR Number of specific fragments extracted= 8 number of extra gaps= 0 total=436 Number of alignments=54 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2furA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2furA expands to /projects/compbio/data/pdb/2fur.pdb.gz 2furA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 253, because occupancy 0.500 <= existing 0.500 in 2furA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 255, because occupancy 0.500 <= existing 0.500 in 2furA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 259, because occupancy 0.500 <= existing 0.500 in 2furA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 265, because occupancy 0.500 <= existing 0.500 in 2furA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 267, because occupancy 0.500 <= existing 0.500 in 2furA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 271, because occupancy 0.500 <= existing 0.500 in 2furA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 709, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 711, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 713, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 715, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 717, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 719, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 721, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 953, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 955, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 957, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 959, because occupancy 0.500 <= existing 0.500 in 2furA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 1323, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 1325, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 1327, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 1329, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 1331, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 1347, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 1349, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 1351, because occupancy 0.500 <= existing 0.500 in 2furA # T0370 read from 2furA/merged-good-all-a2m # 2furA read from 2furA/merged-good-all-a2m # adding 2furA to template set # found chain 2furA in template set Warning: unaligning (T0370)R134 because of BadResidue code BAD_PEPTIDE in next template residue (2furA)R164 Warning: unaligning (T0370)E135 because of BadResidue code BAD_PEPTIDE at template residue (2furA)R164 T0370 12 :RIQDTLNRLELDVDAWVSTAGAD 2furA 20 :SDEDLVAMLDRNFTCTVSFIDGG T0370 37 :APYLVPLSYLWDGETFLVATPAASPTGRNLSETGRVRLGIGP 2furA 43 :IPYAIPMMLASEGKTIYLHGSMKSRIYGILKTGQLIAISLLE T0370 83 :VLVEGTALPLEPAGLPDGVGDTFAEKT 2furA 104 :ALIFGRPYEIDDTEKKIEVFRLLTEKL T0370 110 :GFDPRRLTTS 2furA 133 :GRWDNSIKPS T0370 120 :YLYFRISPRRVQAW 2furA 149 :VFVFAVKPETFSMK T0370 136 :ANELSGR 2furA 165 :TGPPHDT Number of specific fragments extracted= 6 number of extra gaps= 1 total=442 Number of alignments=55 # 2furA read from 2furA/merged-good-all-a2m # found chain 2furA in template set Warning: unaligning (T0370)R134 because of BadResidue code BAD_PEPTIDE in next template residue (2furA)R164 Warning: unaligning (T0370)E135 because of BadResidue code BAD_PEPTIDE at template residue (2furA)R164 T0370 14 :QDTLNRLE 2furA 22 :EDLVAMLD T0370 23 :DVD 2furA 30 :RNF T0370 26 :AWVSTAGAD 2furA 34 :CTVSFIDGG T0370 37 :APYLVPLSYLWDGETFLVATPAASPTGRNLSETGRVRLGIG 2furA 43 :IPYAIPMMLASEGKTIYLHGSMKSRIYGILKTGQLIAISLL T0370 78 :PTRDL 2furA 93 :EIKNN T0370 83 :VLVEGTALPLEPAGLPDGVGDTFAEKTG 2furA 104 :ALIFGRPYEIDDTEKKIEVFRLLTEKLV T0370 111 :FDPRRLTT 2furA 135 :WDNSIKPS T0370 119 :SYLYFRISPRRVQAW 2furA 148 :GVFVFAVKPETFSMK T0370 136 :ANELSG 2furA 165 :TGPPHD Number of specific fragments extracted= 9 number of extra gaps= 1 total=451 Number of alignments=56 # 2furA read from 2furA/merged-good-all-a2m # found chain 2furA in template set Warning: unaligning (T0370)A9 because first residue in template chain is (2furA)R16 T0370 10 :KQRIQDTLNRLELDVDAWVSTAGA 2furA 17 :ASYSDEDLVAMLDRNFTCTVSFID T0370 35 :GGAPYLVPLSYLWDGETFLVATPAASPTGRNLSETGRVRLGIGPTRD 2furA 41 :GGIPYAIPMMLASEGKTIYLHGSMKSRIYGILKTGQLIAISLLEING T0370 83 :VLVEGTALPLEPAGLPDGVGDTFAEKTGFDPRRLT 2furA 104 :ALIFGRPYEIDDTEKKIEVFRLLTEKLVKGRWDNS T0370 118 :TSYLYFRISPRRVQA 2furA 147 :NGVFVFAVKPETFSM Number of specific fragments extracted= 4 number of extra gaps= 0 total=455 Number of alignments=57 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2arzA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2arzA expands to /projects/compbio/data/pdb/2arz.pdb.gz 2arzA:Skipped atom 565, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 567, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 569, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 571, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 573, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 575, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 577, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 579, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 581, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 583, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 585, because occupancy 0.500 <= existing 0.500 in 2arzA # T0370 read from 2arzA/merged-good-all-a2m # 2arzA read from 2arzA/merged-good-all-a2m # adding 2arzA to template set # found chain 2arzA in template set Warning: unaligning (T0370)L116 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2arzA)V119 Warning: unaligning (T0370)T117 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2arzA)V119 Warning: unaligning (T0370)S119 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2arzA)F122 Warning: unaligning (T0370)Y120 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2arzA)F122 T0370 10 :KQRIQDTLNRLELDVDAWVSTAGAD 2arzA 3 :VEAAKNARELLLKEYRAVLSTHSKK T0370 35 :GGAPYLVPLSYLW 2arzA 29 :PGFPFGSVVPYCL T0370 48 :DGETFLVATPAASPTGRNLSETGRVRLGIGP 2arzA 43 :AEGRPLILISRIAQHTHNLQADPRCSMLVGE T0370 82 :LVLVEGTALPLE 2arzA 84 :RLTLLAEARQLA T0370 95 :AGLPDGVGDTFAEKTGF 2arzA 96 :EEEVAAAAERYYRYFPE T0370 112 :DPRR 2arzA 114 :ADYH T0370 118 :T 2arzA 120 :H T0370 121 :LYFRISPRRVQAWREANELSG 2arzA 123 :DFWVLQPVQWRFIGGFGAIHW Number of specific fragments extracted= 8 number of extra gaps= 2 total=463 Number of alignments=58 # 2arzA read from 2arzA/merged-good-all-a2m # found chain 2arzA in template set Warning: unaligning (T0370)L116 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2arzA)V119 Warning: unaligning (T0370)T117 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2arzA)V119 Warning: unaligning (T0370)S119 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2arzA)F122 Warning: unaligning (T0370)Y120 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2arzA)F122 T0370 10 :KQRIQDTLNR 2arzA 3 :VEAAKNAREL T0370 20 :LE 2arzA 14 :LK T0370 23 :DVDAWVSTAGAD 2arzA 16 :EYRAVLSTHSKK T0370 35 :GGAPYLVPLSYLWD 2arzA 29 :PGFPFGSVVPYCLD T0370 49 :GETFLVATPAASPTGRNLSETGRVRLGIG 2arzA 44 :EGRPLILISRIAQHTHNLQADPRCSMLVG T0370 78 :PTRD 2arzA 78 :DIQA T0370 82 :LVLVEGTALPLEPAG 2arzA 84 :RLTLLAEARQLAEEE T0370 98 :PDGVGDTFAEKTG 2arzA 99 :VAAAAERYYRYFP T0370 111 :FDPRR 2arzA 113 :SADYH T0370 118 :T 2arzA 120 :H T0370 121 :LYFRISPRRVQAWREANELSGRE 2arzA 123 :DFWVLQPVQWRFIGGFGAIHWLA Number of specific fragments extracted= 11 number of extra gaps= 2 total=474 Number of alignments=59 # 2arzA read from 2arzA/merged-good-all-a2m # found chain 2arzA in template set Warning: unaligning (T0370)S119 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2arzA)F122 Warning: unaligning (T0370)Y120 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2arzA)F122 T0370 14 :QDTLNRLEL 2arzA 3 :VEAAKNARE T0370 23 :DVDAWVSTAGAD 2arzA 15 :KEYRAVLSTHSK T0370 35 :GGAPYLVPLSYLWDGE 2arzA 29 :PGFPFGSVVPYCLDAE T0370 51 :TFLVATPAASPTGRNLSETGRVRLGIGPTRD 2arzA 46 :RPLILISRIAQHTHNLQADPRCSMLVGERGA T0370 82 :LVLVEGTALPLEPA 2arzA 84 :RLTLLAEARQLAEE T0370 97 :LPDGVGDTFAEKT 2arzA 98 :EVAAAAERYYRYF T0370 111 :FDPRRLT 2arzA 111 :PESADYH T0370 118 :T 2arzA 120 :H T0370 121 :LYFRISPRRVQAWR 2arzA 123 :DFWVLQPVQWRFIG Number of specific fragments extracted= 9 number of extra gaps= 1 total=483 Number of alignments=60 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1dnlA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0370 read from 1dnlA/merged-good-all-a2m # 1dnlA read from 1dnlA/merged-good-all-a2m # found chain 1dnlA in training set T0370 7 :RTAKQRIQDTLNR 1dnlA 33 :TLFERWLSQACEA T0370 20 :LELDVDAWVSTAGAD 1dnlA 47 :LADPTAMVVATVDEH T0370 36 :GAPYLVPLSY 1dnlA 62 :GQPYQRIVLL T0370 46 :LWDGETFLVATPAASPTGRNLSETGRVRLGIGP 1dnlA 73 :HYDEKGMVFYTNLGSRKAHQIENNPRVSLLFPW T0370 79 :TRDLVLVEGTALPLEPAGLPDGVGD 1dnlA 108 :LERQVMVIGKAERLSTLEVMKYFHS T0370 104 :TFAEKTGFDPRRLTTSYLYFRISPRRVQAWREAN 1dnlA 162 :ELKQKFQQGEVPLPSFWGGFRVSLEQIEFWQGGE T0370 138 :ELSGRELM 1dnlA 197 :RLHDRFLY T0370 147 :DGEWLVT 1dnlA 208 :NDAWKID Number of specific fragments extracted= 8 number of extra gaps= 0 total=491 Number of alignments=61 # 1dnlA read from 1dnlA/merged-good-all-a2m # found chain 1dnlA in training set T0370 1 :MTTPPARTAKQRIQDTLNR 1dnlA 27 :LPADPLTLFERWLSQACEA T0370 20 :LE 1dnlA 47 :LA T0370 23 :DVD 1dnlA 49 :DPT T0370 26 :AWVSTAGAD 1dnlA 53 :MVVATVDEH T0370 36 :GAPYLVPLSY 1dnlA 62 :GQPYQRIVLL T0370 46 :LWDGETFLVATPAASPTGRNLSETGRVRLGIG 1dnlA 73 :HYDEKGMVFYTNLGSRKAHQIENNPRVSLLFP T0370 78 :PTRDLVLVEGTALPLEPAG 1dnlA 107 :TLERQVMVIGKAERLSTLE T0370 97 :LPDGVGDTFAEKTGFDPRRLTTSYLYFRISPRRVQAWREA 1dnlA 155 :ILESKFLELKQKFQQGEVPLPSFWGGFRVSLEQIEFWQGG T0370 137 :NELSGRELMR 1dnlA 196 :HRLHDRFLYQ T0370 147 :DGEW 1dnlA 208 :NDAW T0370 151 :L 1dnlA 213 :I T0370 152 :VTD 1dnlA 216 :LAP Number of specific fragments extracted= 12 number of extra gaps= 0 total=503 Number of alignments=62 # 1dnlA read from 1dnlA/merged-good-all-a2m # found chain 1dnlA in training set T0370 11 :QRIQDTLNRLELD 1dnlA 33 :TLFERWLSQACEA T0370 24 :VDAWVSTAGADGGAPYLVPLSY 1dnlA 50 :PTAMVVATVDEHGQPYQRIVLL T0370 46 :LWDGETFLVATPAASPTGRNLSETGRVRLGIG 1dnlA 73 :HYDEKGMVFYTNLGSRKAHQIENNPRVSLLFP T0370 78 :PTRDLVLVEGTALP 1dnlA 107 :TLERQVMVIGKAER T0370 92 :LEPAGLPDGVGDTFAEKTGFDPRRLTTSYLYFRISPRRVQAWRE 1dnlA 150 :ISARGILESKFLELKQKFQQGEVPLPSFWGGFRVSLEQIEFWQG Number of specific fragments extracted= 5 number of extra gaps= 0 total=508 Number of alignments=63 # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0370//projects/compbio/experiments/protein-predict/casp7/T0370/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0370//projects/compbio/experiments/protein-predict/casp7/T0370/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0370/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0370/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((T0370)V72.CB, (T0370)I125.CB) [> 3.3922 = 5.6536 < 7.3497] w=1.0000 to align # Constraint # added constraint: constraint((T0370)A55.CB, (T0370)Y122.CB) [> 3.2472 = 5.4121 < 7.0357] w=1.0000 to align # Constraint # added constraint: constraint((T0370)V54.CB, (T0370)F123.CB) [> 3.0073 = 5.0122 < 6.5158] w=1.0000 to align # Constraint # added constraint: constraint((T0370)L53.CB, (T0370)R124.CB) [> 3.1969 = 5.3282 < 6.9267] w=1.0000 to align # Constraint # added constraint: constraint((T0370)L53.CB, (T0370)F123.CB) [> 4.1127 = 6.8544 < 8.9108] w=1.0000 to align # Constraint # added constraint: constraint((T0370)L53.CB, (T0370)Y122.CB) [> 3.6267 = 6.0445 < 7.8579] w=1.0000 to align # Constraint # added constraint: constraint((T0370)A26.CB, (T0370)P42.CB) [> 4.0164 = 6.6940 < 8.7022] w=0.9833 to align # Constraint # added constraint: constraint((T0370)W27.CB, (T0370)P42.CB) [> 3.7255 = 6.2091 < 8.0719] w=0.9833 to align # Constraint # added constraint: constraint((T0370)W27.CB, (T0370)L74.CB) [> 3.7617 = 6.2695 < 8.1504] w=0.9833 to align # Constraint # added constraint: constraint((T0370)W27.CB, (T0370)G75.CA) [> 3.0466 = 5.0778 < 6.6011] w=0.9833 to align # Constraint # added constraint: constraint((T0370)V28.CB, (T0370)L40.CB) [> 3.9306 = 6.5510 < 8.5163] w=0.9833 to align # Constraint # added constraint: constraint((T0370)V28.CB, (T0370)V41.CB) [> 3.6789 = 6.1315 < 7.9710] w=0.9833 to align # Constraint # added constraint: constraint((T0370)V28.CB, (T0370)L74.CB) [> 3.5108 = 5.8514 < 7.6068] w=0.9833 to align # Constraint # added constraint: constraint((T0370)S29.CB, (T0370)L40.CB) [> 3.3604 = 5.6007 < 7.2809] w=0.9833 to align # Constraint # added constraint: constraint((T0370)S29.CB, (T0370)V72.CB) [> 3.8805 = 6.4674 < 8.4077] w=0.9833 to align # Constraint # added constraint: constraint((T0370)S29.CB, (T0370)R73.CB) [> 3.1966 = 5.3277 < 6.9260] w=0.9833 to align # Constraint # added constraint: constraint((T0370)T30.CB, (T0370)Y39.CB) [> 3.3593 = 5.5988 < 7.2784] w=0.9833 to align # Constraint # added constraint: constraint((T0370)T30.CB, (T0370)V72.CB) [> 3.5287 = 5.8812 < 7.6455] w=0.9833 to align # Constraint # added constraint: constraint((T0370)F52.CB, (T0370)L74.CB) [> 3.8257 = 6.3762 < 8.2891] w=0.9833 to align # Constraint # added constraint: constraint((T0370)F52.CB, (T0370)R124.CB) [> 4.3855 = 7.3091 < 9.5018] w=0.9833 to align # Constraint # added constraint: constraint((T0370)F52.CB, (T0370)I125.CB) [> 2.9493 = 4.9154 < 6.3901] w=0.9833 to align # Constraint # added constraint: constraint((T0370)R71.CB, (T0370)G87.CA) [> 3.7849 = 6.3082 < 8.2006] w=0.9681 to align # Constraint # added constraint: constraint((T0370)R71.CB, (T0370)T88.CB) [> 3.5124 = 5.8541 < 7.6103] w=0.9681 to align # Constraint # added constraint: constraint((T0370)V72.CB, (T0370)G87.CA) [> 3.5336 = 5.8894 < 7.6562] w=0.9681 to align # Constraint # added constraint: constraint((T0370)R73.CB, (T0370)L84.CB) [> 3.8266 = 6.3776 < 8.2909] w=0.9681 to align # Constraint # added constraint: constraint((T0370)R73.CB, (T0370)V85.CB) [> 4.1312 = 6.8853 < 8.9509] w=0.9681 to align # Constraint # added constraint: constraint((T0370)R73.CB, (T0370)E86.CB) [> 3.1932 = 5.3221 < 6.9187] w=0.9681 to align # Constraint # added constraint: constraint((T0370)R73.CB, (T0370)G87.CA) [> 4.4219 = 7.3699 < 9.5808] w=0.9681 to align # Constraint # added constraint: constraint((T0370)L74.CB, (T0370)L84.CB) [> 4.3201 = 7.2002 < 9.3603] w=0.9681 to align # Constraint # added constraint: constraint((T0370)L74.CB, (T0370)V85.CB) [> 2.7301 = 4.5502 < 5.9153] w=0.9681 to align # Constraint # added constraint: constraint((T0370)G75.CA, (T0370)L84.CB) [> 3.0261 = 5.0436 < 6.5566] w=0.9681 to align # Constraint # added constraint: constraint((T0370)G75.CA, (T0370)V85.CB) [> 3.9094 = 6.5156 < 8.4703] w=0.9681 to align # Constraint # added constraint: constraint((T0370)E86.CB, (T0370)R128.CB) [> 3.3052 = 5.5087 < 7.1613] w=0.9681 to align # Constraint # added constraint: constraint((T0370)G87.CA, (T0370)I125.CB) [> 3.3449 = 5.5747 < 7.2472] w=0.9681 to align # Constraint # added constraint: constraint((T0370)G87.CA, (T0370)R128.CB) [> 2.6762 = 4.4603 < 5.7984] w=0.9681 to align # Constraint # added constraint: constraint((T0370)T88.CB, (T0370)R128.CB) [> 4.1604 = 6.9340 < 9.0142] w=0.9681 to align # Constraint # added constraint: constraint((T0370)P91.CB, (T0370)Y122.CB) [> 4.3102 = 7.1837 < 9.3389] w=0.9681 to align # Constraint # added constraint: constraint((T0370)P91.CB, (T0370)F123.CB) [> 3.5048 = 5.8413 < 7.5937] w=0.9681 to align # Constraint # added constraint: constraint((T0370)T51.CB, (T0370)R124.CB) [> 3.2828 = 5.4713 < 7.1127] w=0.9666 to align # Constraint # added constraint: constraint((T0370)E86.CB, (T0370)R129.CB) [> 2.5580 = 4.2634 < 5.5424] w=0.9631 to align # Constraint # added constraint: constraint((T0370)V85.CB, (T0370)V130.CB) [> 3.3031 = 5.5051 < 7.1567] w=0.9631 to align # Constraint # added constraint: constraint((T0370)L84.CB, (T0370)V130.CB) [> 4.1917 = 6.9862 < 9.0821] w=0.9631 to align # Constraint # added constraint: constraint((T0370)V83.CB, (T0370)V130.CB) [> 3.9756 = 6.6260 < 8.6138] w=0.9631 to align # Constraint # added constraint: constraint((T0370)T56.CB, (T0370)L121.CB) [> 3.5465 = 5.9109 < 7.6841] w=0.9545 to align # Constraint # added constraint: constraint((T0370)V54.CB, (T0370)I125.CB) [> 4.4317 = 7.3862 < 9.6020] w=0.9521 to align # Constraint # added constraint: constraint((T0370)L74.CB, (T0370)I125.CB) [> 3.8779 = 6.4632 < 8.4022] w=0.9521 to align # Constraint # added constraint: constraint((T0370)P91.CB, (T0370)L121.CB) [> 3.4218 = 5.7030 < 7.4139] w=0.9521 to align # Constraint # added constraint: constraint((T0370)A55.CB, (T0370)L121.CB) [> 4.1504 = 6.9173 < 8.9925] w=0.9499 to align # Constraint # added constraint: constraint((T0370)V28.CB, (T0370)P42.CB) [> 4.1643 = 6.9405 < 9.0227] w=0.9499 to align # Constraint # added constraint: constraint((T0370)L84.CB, (T0370)Q131.CB) [> 2.7694 = 4.6156 < 6.0003] w=0.9497 to align # Constraint # added constraint: constraint((T0370)V83.CB, (T0370)Q131.CB) [> 4.2773 = 7.1289 < 9.2676] w=0.9497 to align # Constraint # added constraint: constraint((T0370)V85.CB, (T0370)I125.CB) [> 4.1413 = 6.9021 < 8.9727] w=0.9471 to align # Constraint # added constraint: constraint((T0370)T56.CB, (T0370)F123.CB) [> 3.8221 = 6.3701 < 8.2811] w=0.9348 to align # Constraint # added constraint: constraint((T0370)G70.CA, (T0370)T88.CB) [> 3.3119 = 5.5199 < 7.1759] w=0.9347 to align # Constraint # added constraint: constraint((T0370)A31.CB, (T0370)N65.CB) [> 3.3084 = 5.5140 < 7.1682] w=0.9332 to align # Constraint # added constraint: constraint((T0370)T51.CB, (T0370)I125.CB) [> 3.6834 = 6.1390 < 7.9808] w=0.9332 to align # Constraint # added constraint: constraint((T0370)P57.CB, (T0370)Y120.CB) [> 3.7545 = 6.2576 < 8.1348] w=0.9332 to align # Constraint # added constraint: constraint((T0370)V72.CB, (T0370)A89.CB) [> 2.9182 = 4.8637 < 6.3228] w=0.9180 to align # Constraint # added constraint: constraint((T0370)T88.CB, (T0370)I125.CB) [> 4.2128 = 7.0214 < 9.1278] w=0.9180 to align # Constraint # added constraint: constraint((T0370)A89.CB, (T0370)F123.CB) [> 3.0069 = 5.0114 < 6.5149] w=0.9180 to align # Constraint # added constraint: constraint((T0370)A89.CB, (T0370)R124.CB) [> 4.1766 = 6.9610 < 9.0492] w=0.9180 to align # Constraint # added constraint: constraint((T0370)A89.CB, (T0370)I125.CB) [> 2.9403 = 4.9005 < 6.3707] w=0.9180 to align # Constraint # added constraint: constraint((T0370)L90.CB, (T0370)R124.CB) [> 3.1193 = 5.1989 < 6.7585] w=0.9180 to align # Constraint # added constraint: constraint((T0370)V85.CB, (T0370)P127.CB) [> 3.1416 = 5.2359 < 6.8067] w=0.9180 to align # Constraint # added constraint: constraint((T0370)G87.CA, (T0370)S126.CB) [> 3.5890 = 5.9816 < 7.7761] w=0.9180 to align # Constraint # added constraint: constraint((T0370)G87.CA, (T0370)P127.CB) [> 3.5102 = 5.8504 < 7.6055] w=0.9180 to align # Constraint # added constraint: constraint((T0370)V83.CB, (T0370)A132.CB) [> 3.1241 = 5.2068 < 6.7688] w=0.9171 to align # Constraint # added constraint: constraint((T0370)G87.CA, (T0370)R129.CB) [> 4.1992 = 6.9987 < 9.0983] w=0.9130 to align # Constraint # added constraint: constraint((T0370)L92.CB, (T0370)Y122.CB) [> 2.5832 = 4.3053 < 5.5969] w=0.9028 to align # Constraint # added constraint: constraint((T0370)V72.CB, (T0370)E86.CB) [> 4.5595 = 7.5991 < 9.8789] w=0.9021 to align # Constraint # added constraint: constraint((T0370)V54.CB, (T0370)Y122.CB) [> 4.3019 = 7.1698 < 9.3207] w=0.9021 to align # Constraint # added constraint: constraint((T0370)V72.CB, (T0370)T88.CB) [> 4.2874 = 7.1456 < 9.2893] w=0.9021 to align # Constraint # added constraint: constraint((T0370)L53.CB, (T0370)I125.CB) [> 4.5597 = 7.5995 < 9.8794] w=0.8998 to align # Constraint # added constraint: constraint((T0370)A55.CB, (T0370)F123.CB) [> 4.4243 = 7.3739 < 9.5860] w=0.8998 to align # Constraint # added constraint: constraint((T0370)F52.CB, (T0370)V85.CB) [> 3.8645 = 6.4408 < 8.3731] w=0.8963 to align # Constraint # added constraint: constraint((T0370)P57.CB, (T0370)L121.CB) [> 4.3097 = 7.1829 < 9.3378] w=0.8948 to align # Constraint # added constraint: constraint((T0370)V28.CB, (T0370)G75.CA) [> 4.0562 = 6.7604 < 8.7885] w=0.8862 to align # Constraint # added constraint: constraint((T0370)S29.CB, (T0370)L74.CB) [> 3.9872 = 6.6453 < 8.6389] w=0.8846 to align # Constraint # added constraint: constraint((T0370)G70.CA, (T0370)A89.CB) [> 3.0258 = 5.0430 < 6.5559] w=0.8846 to align # Constraint # added constraint: constraint((T0370)T51.CB, (T0370)S126.CB) [> 3.1901 = 5.3168 < 6.9119] w=0.8831 to align # Constraint # added constraint: constraint((T0370)Y39.CB, (T0370)T62.CB) [> 4.0451 = 6.7418 < 8.7644] w=0.8831 to align # Constraint # added constraint: constraint((T0370)L43.CB, (T0370)V54.CB) [> 2.9424 = 4.9039 < 6.3751] w=0.8831 to align # Constraint # added constraint: constraint((T0370)A26.CB, (T0370)L43.CB) [> 3.7150 = 6.1916 < 8.0491] w=0.8831 to align # Constraint # added constraint: constraint((T0370)A55.CB, (T0370)Y120.CB) [> 3.6064 = 6.0106 < 7.8138] w=0.8781 to align # Constraint # added constraint: constraint((T0370)L90.CB, (T0370)F123.CB) [> 4.1156 = 6.8594 < 8.9172] w=0.8679 to align # Constraint # added constraint: constraint((T0370)T88.CB, (T0370)S126.CB) [> 3.3820 = 5.6366 < 7.3276] w=0.8679 to align # Constraint # added constraint: constraint((T0370)A26.CB, (T0370)I76.CB) [> 3.3983 = 5.6639 < 7.3631] w=0.8670 to align # Constraint # added constraint: constraint((T0370)V85.CB, (T0370)R129.CB) [> 4.4272 = 7.3786 < 9.5922] w=0.8629 to align # Constraint # added constraint: constraint((T0370)E86.CB, (T0370)V130.CB) [> 4.4240 = 7.3733 < 9.5853] w=0.8629 to align # Constraint # added constraint: constraint((T0370)L92.CB, (T0370)F123.CB) [> 4.2280 = 7.0467 < 9.1607] w=0.8528 to align # Constraint # added constraint: constraint((T0370)V41.CB, (T0370)T62.CB) [> 3.5193 = 5.8655 < 7.6251] w=0.8330 to align # Constraint # added constraint: constraint((T0370)A58.CB, (T0370)L121.CB) [> 3.0966 = 5.1610 < 6.7094] w=0.8296 to align # Constraint # added constraint: constraint((T0370)E86.CB, (T0370)P127.CB) [> 4.3076 = 7.1794 < 9.3332] w=0.8178 to align # Constraint # added constraint: constraint((T0370)V28.CB, (T0370)L43.CB) [> 3.5031 = 5.8385 < 7.5901] w=0.8163 to align # Constraint # added constraint: constraint((T0370)L43.CB, (T0370)T56.CB) [> 4.0480 = 6.7467 < 8.7707] w=0.8129 to align # Constraint # added constraint: constraint((T0370)L92.CB, (T0370)R124.CB) [> 3.5718 = 5.9530 < 7.7390] w=0.8027 to align # Constraint # added constraint: constraint((T0370)A26.CB, (T0370)Y45.CB) [> 3.4396 = 5.7326 < 7.4524] w=0.8002 to align # Constraint # added constraint: constraint((T0370)A58.CB, (T0370)Y120.CB) [> 4.3492 = 7.2487 < 9.4233] w=0.7996 to align # Constraint # added constraint: constraint((T0370)F52.CB, (T0370)P127.CB) [> 4.0921 = 6.8202 < 8.8663] w=0.7996 to align # Constraint # added constraint: constraint((T0370)A31.CB, (T0370)R71.CB) [> 4.2093 = 7.0155 < 9.1202] w=0.7996 to align # Constraint # added constraint: constraint((T0370)Y45.CB, (T0370)V54.CB) [> 3.3720 = 5.6199 < 7.3059] w=0.7969 to align # Constraint # added constraint: constraint((T0370)D25.CB, (T0370)S44.CB) [> 3.5103 = 5.8506 < 7.6057] w=0.7867 to align # Constraint # added constraint: constraint((T0370)Y39.CB, (T0370)N65.CB) [> 3.6541 = 6.0901 < 7.9172] w=0.7829 to align # Constraint # added constraint: constraint((T0370)Y39.CB, (T0370)P61.CB) [> 3.7681 = 6.2802 < 8.1643] w=0.7829 to align # Constraint # added constraint: constraint((T0370)S44.CB, (T0370)V54.CB) [> 4.0760 = 6.7932 < 8.8312] w=0.7802 to align # Constraint # added constraint: constraint((T0370)A58.CB, (T0370)S119.CB) [> 3.0738 = 5.1230 < 6.6599] w=0.7802 to align # Constraint # added constraint: constraint((T0370)R71.CB, (T0370)E86.CB) [> 4.5329 = 7.5548 < 9.8213] w=0.7673 to align # Constraint # added constraint: constraint((T0370)T51.CB, (T0370)P127.CB) [> 3.7225 = 6.2041 < 8.0653] w=0.7662 to align # Constraint # added constraint: constraint((T0370)P57.CB, (T0370)S119.CB) [> 3.5446 = 5.9077 < 7.6800] w=0.7646 to align # Constraint # added constraint: constraint((T0370)W27.CB, (T0370)I76.CB) [> 3.9267 = 6.5444 < 8.5077] w=0.7541 to align # Constraint # added constraint: constraint((T0370)L92.CB, (T0370)L121.CB) [> 3.9349 = 6.5582 < 8.5257] w=0.7526 to align # Constraint # added constraint: constraint((T0370)W27.CB, (T0370)L43.CB) [> 4.1952 = 6.9920 < 9.0896] w=0.7495 to align # Constraint # added constraint: constraint((T0370)T56.CB, (T0370)Y120.CB) [> 4.1922 = 6.9869 < 9.0830] w=0.7495 to align # Constraint # added constraint: constraint((T0370)L90.CB, (T0370)S126.CB) [> 4.1393 = 6.8988 < 8.9685] w=0.7176 to align # Constraint # added constraint: constraint((T0370)L66.CB, (T0370)F123.CB) [> 3.8031 = 6.3386 < 8.2401] w=0.6995 to align # Constraint # added constraint: constraint((T0370)V28.CB, (T0370)R73.CB) [> 4.4036 = 7.3393 < 9.5410] w=0.6850 to align # Constraint # added constraint: constraint((T0370)D25.CB, (T0370)Y45.CB) [> 3.7932 = 6.3220 < 8.2186] w=0.6849 to align # Constraint # added constraint: constraint((T0370)S29.CB, (T0370)Y39.CB) [> 4.0083 = 6.6806 < 8.6847] w=0.6834 to align # Constraint # added constraint: constraint((T0370)S29.CB, (T0370)G75.CA) [> 4.6087 = 7.6812 < 9.9856] w=0.6825 to align # Constraint # added constraint: constraint((T0370)V83.CB, (T0370)W133.CB) [> 4.4763 = 7.4604 < 9.6986] w=0.6800 to align # Constraint # added constraint: constraint((T0370)R71.CB, (T0370)A89.CB) [> 4.3818 = 7.3029 < 9.4938] w=0.6675 to align # Constraint # added constraint: constraint((T0370)A26.CB, (T0370)L74.CB) [> 2.9543 = 4.9238 < 6.4009] w=0.6667 to align # Constraint # added constraint: constraint((T0370)A26.CB, (T0370)G75.CA) [> 3.1654 = 5.2757 < 6.8583] w=0.6667 to align # Constraint # added constraint: constraint((T0370)W27.CB, (T0370)L40.CB) [> 3.3429 = 5.5716 < 7.2430] w=0.6667 to align # Constraint # added constraint: constraint((T0370)W27.CB, (T0370)V41.CB) [> 4.2919 = 7.1532 < 9.2991] w=0.6667 to align # Constraint # added constraint: constraint((T0370)V28.CB, (T0370)V72.CB) [> 3.6471 = 6.0784 < 7.9020] w=0.6667 to align # Constraint # added constraint: constraint((T0370)S29.CB, (T0370)P38.CB) [> 3.2960 = 5.4933 < 7.1413] w=0.6667 to align # Constraint # added constraint: constraint((T0370)I76.CB, (T0370)V85.CB) [> 4.6018 = 7.6696 < 9.9705] w=0.6516 to align # Constraint # added constraint: constraint((T0370)L82.CB, (T0370)A132.CB) [> 4.1430 = 6.9050 < 8.9766] w=0.6379 to align # Constraint # added constraint: constraint((T0370)V28.CB, (T0370)V54.CB) [> 4.0881 = 6.8135 < 8.8575] w=0.6333 to align # Constraint # added constraint: constraint((T0370)L20.CB, (T0370)I76.CB) [> 3.7695 = 6.2825 < 8.1672] w=0.6197 to align # Constraint # added constraint: constraint((T0370)T16.CB, (T0370)A132.CB) [> 3.5499 = 5.9165 < 7.6915] w=0.6147 to align # Constraint # added constraint: constraint((T0370)L82.CB, (T0370)W133.CB) [> 2.8163 = 4.6938 < 6.1020] w=0.6132 to align # Constraint # added constraint: constraint((T0370)V101.CB, (T0370)Y122.CB) [> 3.0535 = 5.0891 < 6.6158] w=0.6045 to align # Constraint # added constraint: constraint((T0370)T30.CB, (T0370)G63.CA) [> 4.3940 = 7.3234 < 9.5204] w=0.5999 to align # Constraint # added constraint: constraint((T0370)E50.CB, (T0370)S126.CB) [> 3.8405 = 6.4009 < 8.3212] w=0.5993 to align # Constraint # added constraint: constraint((T0370)T30.CB, (T0370)L40.CB) [> 3.7449 = 6.2415 < 8.1140] w=0.5826 to align # Constraint # added constraint: constraint((T0370)A26.CB, (T0370)S44.CB) [> 3.9573 = 6.5955 < 8.5741] w=0.5681 to align # Constraint # added constraint: constraint((T0370)L90.CB, (T0370)I125.CB) [> 4.4942 = 7.4903 < 9.7374] w=0.5624 to align # Constraint # added constraint: constraint((T0370)V24.CB, (T0370)I76.CB) [> 3.3970 = 5.6616 < 7.3601] w=0.5521 to align # Constraint # added constraint: constraint((T0370)A89.CB, (T0370)S126.CB) [> 4.6105 = 7.6842 < 9.9894] w=0.5514 to align # Constraint # added constraint: constraint((T0370)T30.CB, (T0370)G70.CA) [> 4.5571 = 7.5951 < 9.8736] w=0.5510 to align # Constraint # added constraint: constraint((T0370)T16.CB, (T0370)V83.CB) [> 3.2311 = 5.3852 < 7.0007] w=0.5346 to align # Constraint # added constraint: constraint((T0370)S44.CB, (T0370)A55.CB) [> 4.2864 = 7.1441 < 9.2873] w=0.5343 to align # Constraint # added constraint: constraint((T0370)L20.CB, (T0370)V83.CB) [> 3.5756 = 5.9593 < 7.7470] w=0.5193 to align # Constraint # added constraint: constraint((T0370)Y45.CB, (T0370)L74.CB) [> 4.2415 = 7.0692 < 9.1900] w=0.5130 to align # Constraint # added constraint: constraint((T0370)S67.CB, (T0370)P91.CB) [> 4.1159 = 6.8598 < 8.9178] w=0.5059 to align # Constraint # added constraint: constraint((T0370)L97.CB, (T0370)Y122.CB) [> 3.5768 = 5.9613 < 7.7497] w=0.5011 to align # Constraint # added constraint: constraint((T0370)A55.CB, (T0370)V101.CB) [> 4.0306 = 6.7177 < 8.7330] w=0.4994 to align # Constraint # added constraint: constraint((T0370)T30.CB, (T0370)R73.CB) [> 3.2720 = 5.4534 < 7.0894] w=0.4790 to align # Constraint # added constraint: constraint((T0370)L53.CB, (T0370)V101.CB) [> 3.0331 = 5.0551 < 6.5716] w=0.4709 to align # Constraint # added constraint: constraint((T0370)E86.CB, (T0370)Q131.CB) [> 4.5248 = 7.5413 < 9.8037] w=0.4668 to align # Constraint # added constraint: constraint((T0370)L92.CB, (T0370)V101.CB) [> 3.5694 = 5.9489 < 7.7336] w=0.4542 to align # Constraint # added constraint: constraint((T0370)V24.CB, (T0370)Y45.CB) [> 3.7294 = 6.2156 < 8.0803] w=0.4542 to align # Constraint # added constraint: constraint((T0370)G63.CA, (T0370)L121.CB) [> 4.1705 = 6.9509 < 9.0362] w=0.4536 to align # Constraint # added constraint: constraint((T0370)E50.CB, (T0370)P127.CB) [> 3.2052 = 5.3420 < 6.9446] w=0.4536 to align # Constraint # added constraint: constraint((T0370)S29.CB, (T0370)V41.CB) [> 3.8229 = 6.3715 < 8.2830] w=0.4536 to align # Constraint # added constraint: constraint((T0370)V72.CB, (T0370)F123.CB) [> 4.5485 = 7.5809 < 9.8551] w=0.4486 to align # Constraint # added constraint: constraint((T0370)A59.CB, (T0370)S119.CB) [> 3.3428 = 5.5713 < 7.2427] w=0.4462 to align # Constraint # added constraint: constraint((T0370)L53.CB, (T0370)T104.CB) [> 3.8546 = 6.4243 < 8.3516] w=0.4392 to align # Constraint # added constraint: constraint((T0370)R19.CB, (T0370)V83.CB) [> 3.1440 = 5.2400 < 6.8120] w=0.4375 to align # Constraint # added constraint: constraint((T0370)R19.CB, (T0370)I76.CB) [> 3.6386 = 6.0644 < 7.8837] w=0.4375 to align # Constraint # added constraint: constraint((T0370)A26.CB, (T0370)F52.CB) [> 4.4129 = 7.3548 < 9.5613] w=0.4341 to align # Constraint # added constraint: constraint((T0370)P98.CB, (T0370)Y122.CB) [> 3.3171 = 5.5285 < 7.1870] w=0.4341 to align # Constraint # added constraint: constraint((T0370)L53.CB, (T0370)L92.CB) [> 4.3265 = 7.2108 < 9.3740] w=0.4311 to align # Constraint # added constraint: constraint((T0370)A31.CB, (T0370)G70.CA) [> 4.5483 = 7.5805 < 9.8546] w=0.4208 to align # Constraint # added constraint: constraint((T0370)L46.CB, (T0370)T104.CB) [> 2.8749 = 4.7914 < 6.2288] w=0.4174 to align # Constraint # added constraint: constraint((T0370)L74.CB, (T0370)E86.CB) [> 4.7059 = 7.8432 < 10.1961] w=0.4057 to align # Constraint # added constraint: constraint((T0370)G63.CA, (T0370)F123.CB) [> 4.4035 = 7.3391 < 9.5409] w=0.4035 to align # Constraint # added constraint: constraint((T0370)L20.CB, (T0370)W47.CB) [> 3.2179 = 5.3631 < 6.9721] w=0.4008 to align # Constraint # added constraint: constraint((T0370)T16.CB, (T0370)V130.CB) [> 3.4754 = 5.7923 < 7.5300] w=0.4007 to align # Constraint # added constraint: constraint((T0370)L20.CB, (T0370)P78.CB) [> 3.5501 = 5.9168 < 7.6918] w=0.3993 to align # Constraint # added constraint: constraint((T0370)A26.CB, (T0370)G77.CA) [> 4.4798 = 7.4664 < 9.7063] w=0.3989 to align # Constraint # added constraint: constraint((T0370)V24.CB, (T0370)G77.CA) [> 3.9286 = 6.5476 < 8.5119] w=0.3874 to align # Constraint # added constraint: constraint((T0370)D25.CB, (T0370)I76.CB) [> 4.4394 = 7.3990 < 9.6187] w=0.3842 to align # Constraint # added constraint: constraint((T0370)D81.CB, (T0370)W133.CB) [> 3.6294 = 6.0490 < 7.8636] w=0.3810 to align # Constraint # added constraint: constraint((T0370)L84.CB, (T0370)W133.CB) [> 4.4021 = 7.3368 < 9.5379] w=0.3794 to align # Constraint # added constraint: constraint((T0370)G102.CA, (T0370)Y122.CB) [> 4.1308 = 6.8846 < 8.9500] w=0.3724 to align # Constraint # added constraint: constraint((T0370)G70.CA, (T0370)L90.CB) [> 4.4523 = 7.4204 < 9.6466] w=0.3723 to align # Constraint # added constraint: constraint((T0370)E93.CB, (T0370)L121.CB) [> 3.7890 = 6.3150 < 8.2095] w=0.3716 to align # Constraint # added constraint: constraint((T0370)L74.CB, (T0370)G87.CA) [> 4.4826 = 7.4710 < 9.7124] w=0.3716 to align # Constraint # added constraint: constraint((T0370)D25.CB, (T0370)P42.CB) [> 3.4459 = 5.7431 < 7.4661] w=0.3684 to align # Constraint # added constraint: constraint((T0370)L46.CB, (T0370)F105.CB) [> 2.9866 = 4.9777 < 6.4711] w=0.3674 to align # Constraint # added constraint: constraint((T0370)P91.CB, (T0370)R124.CB) [> 4.4847 = 7.4746 < 9.7170] w=0.3670 to align # Constraint # added constraint: constraint((T0370)A26.CB, (T0370)V54.CB) [> 4.4233 = 7.3721 < 9.5837] w=0.3661 to align # Constraint # added constraint: constraint((T0370)A31.CB, (T0370)V72.CB) [> 3.4613 = 5.7688 < 7.4994] w=0.3534 to align # Constraint # added constraint: constraint((T0370)R19.CB, (T0370)P78.CB) [> 4.1401 = 6.9002 < 8.9703] w=0.3508 to align # Constraint # added constraint: constraint((T0370)A31.CB, (T0370)L66.CB) [> 3.5376 = 5.8960 < 7.6648] w=0.3500 to align # Constraint # added constraint: constraint((T0370)D81.CB, (T0370)E135.CB) [> 3.6448 = 6.0746 < 7.8970] w=0.3476 to align # Constraint # added constraint: constraint((T0370)L84.CB, (T0370)R129.CB) [> 4.5519 = 7.5865 < 9.8625] w=0.3460 to align # Constraint # added constraint: constraint((T0370)L53.CB, (T0370)F105.CB) [> 3.8160 = 6.3599 < 8.2679] w=0.3390 to align # Constraint # added constraint: constraint((T0370)D25.CB, (T0370)L43.CB) [> 4.3155 = 7.1926 < 9.3504] w=0.3350 to align # Constraint # added constraint: constraint((T0370)T30.CB, (T0370)P61.CB) [> 4.6389 = 7.7314 < 10.0509] w=0.3327 to align # Constraint # added constraint: constraint((T0370)W27.CB, (T0370)G77.CA) [> 4.3010 = 7.1683 < 9.3188] w=0.3318 to align # Constraint # added constraint: constraint((T0370)L43.CB, (T0370)T62.CB) [> 4.4504 = 7.4174 < 9.6426] w=0.3317 to align # Constraint # added constraint: constraint((T0370)P57.CB, (T0370)T118.CB) [> 3.1974 = 5.3290 < 6.9277] w=0.3206 to align # Constraint # added constraint: constraint((T0370)S29.CB, (T0370)V54.CB) [> 4.0709 = 6.7849 < 8.8204] w=0.3166 to align # Constraint # added constraint: constraint((T0370)T56.CB, (T0370)Y122.CB) [> 4.4334 = 7.3890 < 9.6057] w=0.3056 to align # Constraint # added constraint: constraint((T0370)V24.CB, (T0370)S44.CB) [> 3.6416 = 6.0693 < 7.8901] w=0.3056 to align # Constraint # added constraint: constraint((T0370)T30.CB, (T0370)A89.CB) [> 4.5668 = 7.6113 < 9.8947] w=0.3039 to align # Constraint # added constraint: constraint((T0370)L43.CB, (T0370)A55.CB) [> 4.4745 = 7.4576 < 9.6948] w=0.3033 to align # Constraint # added constraint: constraint((T0370)E93.CB, (T0370)Y122.CB) [> 4.4796 = 7.4660 < 9.7058] w=0.3017 to align # Constraint # added constraint: constraint((T0370)A31.CB, (T0370)G63.CA) [> 4.3256 = 7.2094 < 9.3722] w=0.2999 to align # Constraint # added constraint: constraint((T0370)Y45.CB, (T0370)I76.CB) [> 4.5278 = 7.5464 < 9.8103] w=0.2993 to align # Constraint # added constraint: constraint((T0370)S29.CB, (T0370)P42.CB) [> 4.5362 = 7.5604 < 9.8285] w=0.2983 to align # Constraint # added constraint: constraint((T0370)E50.CB, (T0370)R124.CB) [> 3.8551 = 6.4251 < 8.3526] w=0.2959 to align # Constraint # added constraint: constraint((T0370)L20.CB, (T0370)F52.CB) [> 4.2943 = 7.1571 < 9.3043] w=0.2839 to align # Constraint # added constraint: constraint((T0370)S29.CB, (T0370)L43.CB) [> 3.1140 = 5.1899 < 6.7469] w=0.2832 to align # Constraint # added constraint: constraint((T0370)D34.CB, (T0370)E68.CB) [> 3.6509 = 6.0849 < 7.9104] w=0.2802 to align # Constraint # added constraint: constraint((T0370)L82.CB, (T0370)Q131.CB) [> 4.6006 = 7.6677 < 9.9681] w=0.2792 to align # Constraint # added constraint: constraint((T0370)L17.CB, (T0370)V83.CB) [> 3.7838 = 6.3064 < 8.1983] w=0.2688 to align # Constraint # added constraint: constraint((T0370)A31.CB, (T0370)T62.CB) [> 3.2389 = 5.3981 < 7.0176] w=0.2665 to align # Constraint # added constraint: constraint((T0370)I13.CB, (T0370)V130.CB) [> 3.9964 = 6.6607 < 8.6589] w=0.2656 to align # Constraint # added constraint: constraint((T0370)G63.CA, (T0370)P91.CB) [> 3.7617 = 6.2695 < 8.1504] w=0.2555 to align # Constraint # added constraint: constraint((T0370)L74.CB, (T0370)V83.CB) [> 4.6962 = 7.8271 < 10.1752] w=0.2505 to align # Constraint # added constraint: constraint((T0370)S44.CB, (T0370)K108.CB) [> 4.3462 = 7.2437 < 9.4168] w=0.2338 to align # Constraint # added constraint: constraint((T0370)T16.CB, (T0370)D81.CB) [> 4.4119 = 7.3531 < 9.5591] w=0.2307 to align # Constraint # added constraint: constraint((T0370)P57.CB, (T0370)T117.CB) [> 4.4261 = 7.3768 < 9.5899] w=0.2307 to align # Constraint # added constraint: constraint((T0370)T30.CB, (T0370)V41.CB) [> 4.3893 = 7.3155 < 9.5102] w=0.2221 to align # Constraint # added constraint: constraint((T0370)D15.CB, (T0370)A132.CB) [> 3.9814 = 6.6357 < 8.6264] w=0.2204 to align # Constraint # added constraint: constraint((T0370)S44.CB, (T0370)T109.CB) [> 3.6260 = 6.0434 < 7.8564] w=0.2171 to align # Constraint # added constraint: constraint((T0370)S44.CB, (T0370)F105.CB) [> 3.9150 = 6.5251 < 8.4826] w=0.2171 to align # Constraint # added constraint: constraint((T0370)V28.CB, (T0370)I76.CB) [> 4.6248 = 7.7080 < 10.0205] w=0.2171 to align # Constraint # added constraint: constraint((T0370)A33.CB, (T0370)R64.CB) [> 4.1709 = 6.9514 < 9.0369] w=0.2165 to align # Constraint # added constraint: constraint((T0370)W27.CB, (T0370)Y45.CB) [> 3.2518 = 5.4196 < 7.0455] w=0.2155 to align # Constraint # added constraint: constraint((T0370)R12.CB, (T0370)V83.CB) [> 4.0070 = 6.6783 < 8.6818] w=0.2155 to align # Constraint # added constraint: constraint((T0370)G102.CA, (T0370)L116.CB) [> 4.1721 = 6.9535 < 9.0395] w=0.2155 to align # Constraint # added constraint: constraint((T0370)Q131.CB, (T0370)R142.CB) [> 3.8788 = 6.4646 < 8.4040] w=0.2140 to align # Constraint # added constraint: constraint((T0370)L46.CB, (T0370)A55.CB) [> 4.1909 = 6.9848 < 9.0802] w=0.2125 to align # Constraint # added constraint: constraint((T0370)P38.CB, (T0370)R73.CB) [> 4.5325 = 7.5541 < 9.8203] w=0.2054 to align # Constraint # added constraint: constraint((T0370)R19.CB, (T0370)L82.CB) [> 4.1919 = 6.9865 < 9.0824] w=0.2037 to align # Constraint # added constraint: constraint((T0370)V85.CB, (T0370)Q131.CB) [> 4.6892 = 7.8154 < 10.1600] w=0.2037 to align # Constraint # added constraint: constraint((T0370)W27.CB, (T0370)F52.CB) [> 4.4782 = 7.4637 < 9.7028] w=0.2004 to align # Constraint # added constraint: constraint((T0370)T16.CB, (T0370)Q131.CB) [> 4.4263 = 7.3771 < 9.5903] w=0.2004 to align # Constraint # added constraint: constraint((T0370)V54.CB, (T0370)A89.CB) [> 4.4411 = 7.4019 < 9.6224] w=0.2004 to align # Constraint # added constraint: constraint((T0370)A58.CB, (T0370)S67.CB) [> 4.3919 = 7.3198 < 9.5158] w=0.2004 to align # Constraint # added constraint: constraint((T0370)T30.CB, (T0370)G75.CA) [> 4.6411 = 7.7351 < 10.0557] w=0.1996 to align # Constraint # added constraint: constraint((T0370)T56.CB, (T0370)L66.CB) [> 4.7007 = 7.8344 < 10.1847] w=0.1981 to align # Constraint # added constraint: constraint((T0370)I13.CB, (T0370)V24.CB) [> 4.1264 = 6.8773 < 8.9406] w=0.1981 to align # Constraint # added constraint: constraint((T0370)R80.CB, (T0370)E135.CB) [> 2.2637 = 3.7728 < 4.9047] w=0.1973 to align # Constraint # added constraint: constraint((T0370)W133.CB, (T0370)R142.CB) [> 3.2759 = 5.4598 < 7.0977] w=0.1973 to align # Constraint # added constraint: constraint((T0370)Q131.CB, (T0370)M145.CB) [> 4.3965 = 7.3275 < 9.5258] w=0.1973 to align # Constraint # added constraint: constraint((T0370)Q131.CB, (T0370)L144.CB) [> 2.7558 = 4.5930 < 5.9709] w=0.1973 to align # Constraint # added constraint: constraint((T0370)V130.CB, (T0370)L144.CB) [> 4.3995 = 7.3325 < 9.5323] w=0.1973 to align # Constraint # added constraint: constraint((T0370)R129.CB, (T0370)M145.CB) [> 3.9599 = 6.5998 < 8.5797] w=0.1973 to align # Constraint # added constraint: constraint((T0370)R129.CB, (T0370)L144.CB) [> 4.0341 = 6.7235 < 8.7406] w=0.1973 to align # Constraint # added constraint: constraint((T0370)L82.CB, (T0370)R134.CB) [> 4.6424 = 7.7374 < 10.0586] w=0.1957 to align # Constraint # added constraint: constraint((T0370)V101.CB, (T0370)R124.CB) [> 4.1003 = 6.8338 < 8.8840] w=0.1870 to align # Constraint # added constraint: constraint((T0370)P98.CB, (T0370)L121.CB) [> 4.4388 = 7.3980 < 9.6174] w=0.1837 to align # Constraint # added constraint: constraint((T0370)V41.CB, (T0370)S60.CB) [> 4.2388 = 7.0647 < 9.1841] w=0.1814 to align # Constraint # added constraint: constraint((T0370)E143.CB, (T0370)V152.CB) [> 4.0724 = 6.7873 < 8.8234] w=0.1798 to align # Constraint # added constraint: constraint((T0370)D48.CB, (T0370)R124.CB) [> 3.4609 = 5.7682 < 7.4987] w=0.1790 to align # Constraint # added constraint: constraint((T0370)F105.CB, (T0370)Y122.CB) [> 3.8191 = 6.3652 < 8.2748] w=0.1720 to align # Constraint # added constraint: constraint((T0370)W27.CB, (T0370)S44.CB) [> 4.4093 = 7.3489 < 9.5535] w=0.1671 to align # Constraint # added constraint: constraint((T0370)Y45.CB, (T0370)F105.CB) [> 4.2285 = 7.0474 < 9.1617] w=0.1670 to align # Constraint # added constraint: constraint((T0370)A9.CB, (T0370)V130.CB) [> 3.9149 = 6.5248 < 8.4823] w=0.1639 to align # Constraint # added constraint: constraint((T0370)L66.CB, (T0370)L90.CB) [> 4.3212 = 7.2020 < 9.3625] w=0.1553 to align # Constraint # added constraint: constraint((T0370)A58.CB, (T0370)T118.CB) [> 4.2738 = 7.1230 < 9.2598] w=0.1521 to align # Constraint # added constraint: constraint((T0370)D23.CB, (T0370)S44.CB) [> 4.2317 = 7.0529 < 9.1687] w=0.1521 to align # Constraint # added constraint: constraint((T0370)A31.CB, (T0370)A89.CB) [> 4.5475 = 7.5792 < 9.8530] w=0.1519 to align # Constraint # added constraint: constraint((T0370)V54.CB, (T0370)R124.CB) [> 4.4876 = 7.4794 < 9.7233] w=0.1506 to align # Constraint # added constraint: constraint((T0370)L17.CB, (T0370)E50.CB) [> 4.0669 = 6.7782 < 8.8116] w=0.1503 to align # Constraint # added constraint: constraint((T0370)G36.CA, (T0370)T69.CB) [> 4.5878 = 7.6463 < 9.9402] w=0.1503 to align # Constraint # added constraint: constraint((T0370)R71.CB, (T0370)R128.CB) [> 4.5720 = 7.6200 < 9.9060] w=0.1503 to align # Constraint # added constraint: constraint((T0370)R80.CB, (T0370)W133.CB) [> 4.1006 = 6.8343 < 8.8846] w=0.1503 to align # Constraint # added constraint: constraint((T0370)A55.CB, (T0370)T109.CB) [> 4.3046 = 7.1744 < 9.3267] w=0.1503 to align # Constraint # added constraint: constraint((T0370)G49.CA, (T0370)S126.CB) [> 4.5478 = 7.5797 < 9.8536] w=0.1480 to align # Constraint # added constraint: constraint((T0370)L53.CB, (T0370)G102.CA) [> 4.0144 = 6.6907 < 8.6979] w=0.1386 to align # Constraint # added constraint: constraint((T0370)G102.CA, (T0370)Y120.CB) [> 4.5652 = 7.6087 < 9.8913] w=0.1336 to align # Constraint # added constraint: constraint((T0370)D81.CB, (T0370)A136.CB) [> 4.5382 = 7.5637 < 9.8328] w=0.1336 to align # Constraint # added constraint: constraint((T0370)F105.CB, (T0370)Y120.CB) [> 3.2099 = 5.3498 < 6.9548] w=0.1336 to align # Constraint # added constraint: constraint((T0370)A31.CB, (T0370)L40.CB) [> 4.6154 = 7.6924 < 10.0001] w=0.1330 to align # Constraint # added constraint: constraint((T0370)V28.CB, (T0370)T56.CB) [> 4.6445 = 7.7408 < 10.0631] w=0.1321 to align # Constraint # added constraint: constraint((T0370)A9.CB, (T0370)V83.CB) [> 3.9183 = 6.5305 < 8.4897] w=0.1320 to align # Constraint # added constraint: constraint((T0370)T8.CB, (T0370)A132.CB) [> 3.7292 = 6.2154 < 8.0800] w=0.1320 to align # Constraint # added constraint: constraint((T0370)L97.CB, (T0370)Y120.CB) [> 4.1520 = 6.9201 < 8.9961] w=0.1320 to align # Constraint # added constraint: constraint((T0370)R128.CB, (T0370)R146.CB) [> 4.1993 = 6.9989 < 9.0986] w=0.1305 to align # Constraint # added constraint: constraint((T0370)D25.CB, (T0370)G77.CA) [> 4.1596 = 6.9326 < 9.0124] w=0.1196 to align # Constraint # added constraint: constraint((T0370)L46.CB, (T0370)T109.CB) [> 4.3051 = 7.1752 < 9.3278] w=0.1169 to align # Constraint # added constraint: constraint((T0370)P5.CB, (T0370)M145.CB) [> 2.4509 = 4.0848 < 5.3102] w=0.1153 to align # Constraint # added constraint: constraint((T0370)T51.CB, (T0370)L90.CB) [> 4.1782 = 6.9637 < 9.0528] w=0.1115 to align # Constraint # added constraint: constraint((T0370)F52.CB, (T0370)S126.CB) [> 4.6547 = 7.7578 < 10.0851] w=0.1052 to align # Constraint # added constraint: constraint((T0370)G36.CA, (T0370)N65.CB) [> 4.5980 = 7.6633 < 9.9623] w=0.1052 to align # Constraint # added constraint: constraint((T0370)T56.CB, (T0370)P91.CB) [> 4.3318 = 7.2197 < 9.3856] w=0.1052 to align # Constraint # added constraint: constraint((T0370)G32.CA, (T0370)L66.CB) [> 4.2593 = 7.0988 < 9.2284] w=0.1035 to align # Constraint # added constraint: constraint((T0370)V28.CB, (T0370)F123.CB) [> 4.6219 = 7.7032 < 10.0141] w=0.1035 to align # Constraint # added constraint: constraint((T0370)A33.CB, (T0370)G63.CA) [> 3.8605 = 6.4341 < 8.3643] w=0.1019 to align # Constraint # added constraint: constraint((T0370)G32.CA, (T0370)R64.CB) [> 4.5545 = 7.5908 < 9.8680] w=0.1004 to align # Constraint # added constraint: constraint((T0370)V85.CB, (T0370)R128.CB) [> 4.5925 = 7.6542 < 9.9505] w=0.1002 to align # Constraint # added constraint: constraint((T0370)S60.CB, (T0370)L121.CB) [> 4.7456 = 7.9093 < 10.2821] w=0.1002 to align # Constraint # added constraint: constraint((T0370)G49.CA, (T0370)P127.CB) [> 3.6540 = 6.0900 < 7.9170] w=0.1002 to align # Constraint # added constraint: constraint((T0370)Y39.CB, (T0370)G63.CA) [> 3.3425 = 5.5708 < 7.2421] w=0.1002 to align # Constraint # added constraint: constraint((T0370)L22.CB, (T0370)W47.CB) [> 3.7558 = 6.2596 < 8.1375] w=0.1002 to align # Constraint # added constraint: constraint((T0370)L53.CB, (T0370)K108.CB) [> 3.3312 = 5.5519 < 7.2175] w=0.1002 to align # Constraint # added constraint: constraint((T0370)A9.CB, (T0370)W47.CB) [> 4.5126 = 7.5210 < 9.7774] w=0.0986 to align # Constraint # added constraint: constraint((T0370)Q131.CB, (T0370)V152.CB) [> 4.0827 = 6.8046 < 8.8460] w=0.0986 to align # Constraint # added constraint: constraint((T0370)P5.CB, (T0370)W150.CB) [> 3.6151 = 6.0252 < 7.8327] w=0.0986 to align # Constraint # added constraint: constraint((T0370)E143.CB, (T0370)T153.CB) [> 4.2059 = 7.0098 < 9.1128] w=0.0979 to align # Constraint # added constraint: constraint((T0370)L20.CB, (T0370)Y45.CB) [> 4.1170 = 6.8616 < 8.9201] w=0.0868 to align # Constraint # added constraint: constraint((T0370)D81.CB, (T0370)L139.CB) [> 3.4707 = 5.7844 < 7.5198] w=0.0835 to align # Constraint # added constraint: constraint((T0370)L22.CB, (T0370)S44.CB) [> 4.0949 = 6.8249 < 8.8723] w=0.0835 to align # Constraint # added constraint: constraint((T0370)Y45.CB, (T0370)A55.CB) [> 4.1509 = 6.9182 < 8.9936] w=0.0835 to align # Constraint # added constraint: constraint((T0370)Q131.CB, (T0370)S140.CB) [> 4.0521 = 6.7535 < 8.7795] w=0.0835 to align # Constraint # added constraint: constraint((T0370)P5.CB, (T0370)P127.CB) [> 4.2188 = 7.0313 < 9.1406] w=0.0819 to align # Constraint # added constraint: constraint((T0370)L144.CB, (T0370)T153.CB) [> 3.2396 = 5.3993 < 7.0191] w=0.0819 to align # Constraint # added constraint: constraint((T0370)S140.CB, (T0370)D154.CB) [> 2.4964 = 4.1607 < 5.4089] w=0.0819 to align # Constraint # added constraint: constraint((T0370)L139.CB, (T0370)D154.CB) [> 3.4199 = 5.6999 < 7.4098] w=0.0819 to align # Constraint # added constraint: constraint((T0370)K10.CB, (T0370)W47.CB) [> 4.2366 = 7.0610 < 9.1793] w=0.0804 to align # Constraint # added constraint: constraint((T0370)W47.CB, (T0370)R124.CB) [> 4.4227 = 7.3712 < 9.5825] w=0.0710 to align # Constraint # added constraint: constraint((T0370)A55.CB, (T0370)L116.CB) [> 3.4248 = 5.7080 < 7.4204] w=0.0701 to align # Constraint # added constraint: constraint((T0370)L22.CB, (T0370)P78.CB) [> 3.7801 = 6.3002 < 8.1902] w=0.0685 to align # Constraint # added constraint: constraint((T0370)A31.CB, (T0370)V41.CB) [> 4.2944 = 7.1573 < 9.3044] w=0.0685 to align # Constraint # added constraint: constraint((T0370)G75.CA, (T0370)A132.CB) [> 4.6437 = 7.7395 < 10.0614] w=0.0668 to align # Constraint # added constraint: constraint((T0370)L82.CB, (T0370)L139.CB) [> 4.4485 = 7.4142 < 9.6384] w=0.0668 to align # Constraint # added constraint: constraint((T0370)T69.CB, (T0370)T88.CB) [> 3.2224 = 5.3706 < 6.9818] w=0.0668 to align # Constraint # added constraint: constraint((T0370)S29.CB, (T0370)Y45.CB) [> 4.6248 = 7.7079 < 10.0203] w=0.0668 to align # Constraint # added constraint: constraint((T0370)V28.CB, (T0370)Y45.CB) [> 4.5640 = 7.6066 < 9.8886] w=0.0668 to align # Constraint # added constraint: constraint((T0370)S67.CB, (T0370)A89.CB) [> 4.7159 = 7.8598 < 10.2178] w=0.0660 to align # Constraint # added constraint: constraint((T0370)F52.CB, (T0370)G87.CA) [> 4.6668 = 7.7780 < 10.1114] w=0.0660 to align # Constraint # added constraint: constraint((T0370)A55.CB, (T0370)T117.CB) [> 3.9187 = 6.5312 < 8.4905] w=0.0660 to align # Constraint # added constraint: constraint((T0370)M1.CB, (T0370)L151.CB) [> 3.4293 = 5.7155 < 7.4301] w=0.0652 to align # Constraint # added constraint: constraint((T0370)L40.CB, (T0370)R73.CB) [> 4.3489 = 7.2482 < 9.4227] w=0.0551 to align # Constraint # added constraint: constraint((T0370)G32.CA, (T0370)V72.CB) [> 4.6815 = 7.8025 < 10.1432] w=0.0518 to align # Constraint # added constraint: constraint((T0370)L46.CB, (T0370)A106.CB) [> 4.6221 = 7.7035 < 10.0146] w=0.0501 to align # Constraint # added constraint: constraint((T0370)F52.CB, (T0370)F123.CB) [> 4.5907 = 7.6512 < 9.9466] w=0.0501 to align # Constraint # added constraint: constraint((T0370)A6.CB, (T0370)V130.CB) [> 4.5281 = 7.5468 < 9.8109] w=0.0501 to align # Constraint # added constraint: constraint((T0370)S44.CB, (T0370)T56.CB) [> 4.7242 = 7.8737 < 10.2358] w=0.0501 to align # Constraint # added constraint: constraint((T0370)A9.CB, (T0370)F52.CB) [> 4.7870 = 7.9784 < 10.3719] w=0.0501 to align # Constraint # added constraint: constraint((T0370)W27.CB, (T0370)V85.CB) [> 4.6280 = 7.7134 < 10.0274] w=0.0501 to align # Constraint # added constraint: constraint((T0370)S44.CB, (T0370)D112.CB) [> 3.6068 = 6.0114 < 7.8148] w=0.0501 to align # Constraint # added constraint: constraint((T0370)D48.CB, (T0370)S126.CB) [> 4.4915 = 7.4858 < 9.7316] w=0.0501 to align # Constraint # added constraint: constraint((T0370)Y39.CB, (T0370)L66.CB) [> 4.7415 = 7.9025 < 10.2732] w=0.0501 to align # Constraint # added constraint: constraint((T0370)Y39.CB, (T0370)A58.CB) [> 4.0272 = 6.7119 < 8.7255] w=0.0501 to align # Constraint # added constraint: constraint((T0370)V41.CB, (T0370)T56.CB) [> 3.4583 = 5.7638 < 7.4930] w=0.0501 to align # Constraint # added constraint: constraint((T0370)V41.CB, (T0370)A59.CB) [> 3.4533 = 5.7555 < 7.4822] w=0.0501 to align # Constraint # added constraint: constraint((T0370)I13.CB, (T0370)I76.CB) [> 4.6994 = 7.8324 < 10.1821] w=0.0486 to align # Constraint # added constraint: constraint((T0370)A9.CB, (T0370)A132.CB) [> 4.7367 = 7.8944 < 10.2628] w=0.0486 to align # Constraint # added constraint: constraint((T0370)E50.CB, (T0370)R128.CB) [> 4.6352 = 7.7253 < 10.0429] w=0.0479 to align # Constraint # added constraint: constraint((T0370)G32.CA, (T0370)G70.CA) [> 4.6247 = 7.7078 < 10.0202] w=0.0384 to align # Constraint # added constraint: constraint((T0370)P57.CB, (T0370)L116.CB) [> 4.5700 = 7.6167 < 9.9017] w=0.0367 to align # Constraint # added constraint: constraint((T0370)A6.CB, (T0370)R134.CB) [> 4.0695 = 6.7825 < 8.8172] w=0.0334 to align # Constraint # added constraint: constraint((T0370)V83.CB, (T0370)L139.CB) [> 3.5333 = 5.8889 < 7.6556] w=0.0334 to align # Constraint # added constraint: constraint((T0370)T109.CB, (T0370)Y120.CB) [> 3.5773 = 5.9621 < 7.7508] w=0.0334 to align # Constraint # added constraint: constraint((T0370)T8.CB, (T0370)V130.CB) [> 4.7068 = 7.8447 < 10.1981] w=0.0334 to align # Constraint # added constraint: constraint((T0370)V28.CB, (T0370)Y39.CB) [> 4.6008 = 7.6680 < 9.9685] w=0.0334 to align # Constraint # added constraint: constraint((T0370)L40.CB, (T0370)K108.CB) [> 3.1427 = 5.2379 < 6.8093] w=0.0319 to align # Constraint # added constraint: constraint((T0370)P42.CB, (T0370)A106.CB) [> 4.3073 = 7.1789 < 9.3325] w=0.0319 to align # Constraint # added constraint: constraint((T0370)P42.CB, (T0370)T109.CB) [> 3.1071 = 5.1785 < 6.7320] w=0.0319 to align # Constraint # added constraint: constraint((T0370)P5.CB, (T0370)L151.CB) [> 4.6280 = 7.7134 < 10.0274] w=0.0319 to align # Constraint # added constraint: constraint((T0370)A33.CB, (T0370)G70.CA) [> 4.6650 = 7.7750 < 10.1074] w=0.0303 to align # Constraint # added constraint: constraint((T0370)Y45.CB, (T0370)G77.CA) [> 4.3885 = 7.3141 < 9.5083] w=0.0200 to align # Constraint # added constraint: constraint((T0370)R12.CB, (T0370)L151.CB) [> 3.0632 = 5.1053 < 6.6369] w=0.0167 to align # Constraint # added constraint: constraint((T0370)T79.CB, (T0370)R134.CB) [> 4.7809 = 7.9682 < 10.3586] w=0.0167 to align # Constraint # added constraint: constraint((T0370)I13.CB, (T0370)T153.CB) [> 4.5084 = 7.5140 < 9.7682] w=0.0167 to align # Constraint # added constraint: constraint((T0370)R80.CB, (T0370)G148.CA) [> 4.2588 = 7.0980 < 9.2274] w=0.0167 to align # Constraint # added constraint: constraint((T0370)A26.CB, (T0370)T79.CB) [> 4.7510 = 7.9184 < 10.2939] w=0.0167 to align # Constraint # added constraint: constraint((T0370)R129.CB, (T0370)R142.CB) [> 4.5082 = 7.5136 < 9.7677] w=0.0167 to align # Constraint # added constraint: constraint((T0370)A6.CB, (T0370)T51.CB) [> 4.4702 = 7.4504 < 9.6855] w=0.0167 to align # Constraint # added constraint: constraint((T0370)G35.CA, (T0370)T69.CB) [> 4.7779 = 7.9631 < 10.3521] w=0.0167 to align # Constraint # added constraint: constraint((T0370)T79.CB, (T0370)M145.CB) [> 4.6919 = 7.8198 < 10.1658] w=0.0167 to align # Constraint # added constraint: constraint((T0370)R129.CB, (T0370)S140.CB) [> 4.5537 = 7.5895 < 9.8664] w=0.0167 to align # Constraint # added constraint: constraint((T0370)R129.CB, (T0370)V152.CB) [> 4.4212 = 7.3686 < 9.5792] w=0.0167 to align # Constraint # added constraint: constraint((T0370)V130.CB, (T0370)L151.CB) [> 4.6040 = 7.6733 < 9.9753] w=0.0167 to align # Constraint # added constraint: constraint((T0370)V130.CB, (T0370)V152.CB) [> 4.1772 = 6.9620 < 9.0506] w=0.0167 to align # Constraint # added constraint: constraint((T0370)W133.CB, (T0370)W150.CB) [> 3.4393 = 5.7322 < 7.4519] w=0.0167 to align # Constraint # added constraint: constraint((T0370)A132.CB, (T0370)V152.CB) [> 4.5259 = 7.5432 < 9.8062] w=0.0167 to align # Constraint # added constraint: constraint((T0370)A132.CB, (T0370)W150.CB) [> 4.2312 = 7.0520 < 9.1676] w=0.0167 to align # Constraint # added constraint: constraint((T0370)A132.CB, (T0370)E149.CB) [> 4.7415 = 7.9024 < 10.2732] w=0.0167 to align # Constraint # added constraint: constraint((T0370)Q131.CB, (T0370)L151.CB) [> 4.4290 = 7.3818 < 9.5963] w=0.0167 to align # Constraint # added constraint: constraint((T0370)Q131.CB, (T0370)W150.CB) [> 4.3223 = 7.2038 < 9.3649] w=0.0167 to align # Constraint # added constraint: constraint((T0370)A37.CB, (T0370)R64.CB) [> 4.7466 = 7.9109 < 10.2842] w=0.0167 to align # Constraint # added constraint: constraint((T0370)A37.CB, (T0370)E68.CB) [> 4.6685 = 7.7808 < 10.1150] w=0.0167 to align # Constraint # added constraint: constraint((T0370)F105.CB, (T0370)T117.CB) [> 4.5528 = 7.5881 < 9.8645] w=0.0167 to align # Constraint # added constraint: constraint((T0370)L82.CB, (T0370)N137.CB) [> 3.8057 = 6.3429 < 8.2458] w=0.0167 to align # Constraint # added constraint: constraint((T0370)V41.CB, (T0370)L53.CB) [> 3.7004 = 6.1674 < 8.0176] w=0.0167 to align # Constraint # added constraint: constraint((T0370)P42.CB, (T0370)P127.CB) [> 4.5520 = 7.5867 < 9.8627] w=0.0167 to align # Constraint # added constraint: constraint((T0370)P42.CB, (T0370)I125.CB) [> 2.5424 = 4.2373 < 5.5086] w=0.0167 to align # Constraint # added constraint: constraint((T0370)P42.CB, (T0370)R124.CB) [> 3.8136 = 6.3560 < 8.2628] w=0.0167 to align # Constraint # added constraint: constraint((T0370)P42.CB, (T0370)V54.CB) [> 4.1188 = 6.8647 < 8.9241] w=0.0167 to align # Constraint # added constraint: constraint((T0370)P42.CB, (T0370)L53.CB) [> 3.6702 = 6.1170 < 7.9521] w=0.0167 to align # Constraint # added constraint: constraint((T0370)W27.CB, (T0370)L46.CB) [> 3.3696 = 5.6160 < 7.3008] w=0.0160 to align # Constraint # added constraint: constraint((T0370)R12.CB, (T0370)V152.CB) [> 4.7915 = 7.9859 < 10.3817] w=0.0152 to align # Constraint # added constraint: constraint((T0370)P38.CB, (T0370)R71.CB) [> 4.7516 = 7.9194 < 10.2952] w=0.0050 to align # Constraint # added constraint: constraint((T0370)P38.CB, (T0370)N65.CB) [> 4.1926 = 6.9876 < 9.0838] w=0.0050 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0370/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0370/decoys/ # ReadConformPDB reading from PDB file chimera-43-31.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-43-44.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-47-31.pdb.gz looking for model 1 WARNING: atom 206 has residue number 27 < previous residue 46 in chimera-47-31.pdb.gz # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera30-33-30.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera30-33.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera64-46-no2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera64-46.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr370.gromacs0.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr370.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr370.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr370.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 T0370 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 T0370 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 T0370 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 T0370 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 T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 T0370 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 T0370 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 T0370 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 123 # 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 22 # 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 117 # 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 98 # 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 53 # 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 136 # 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 152 # 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 152 # 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 131 # 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 145 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # naming current conformation BayesHH_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 T0370 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 T0370 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 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 T0370 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 T0370 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 T0370 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 T0370 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 T0370 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 149 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # Found a chain break before 148 # 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 T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 153 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 151 # 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 132 # 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 110 # 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 149 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS5 # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0370 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 Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0370 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 T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 Skipped atom 169, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0370 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 Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0370 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 Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0370 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 T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 Skipped atom 169, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # naming current conformation FPSOLVER-SERVER_TS3 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 18 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 354, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 356, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 358, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 360, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 470, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 472, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 474, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 476, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 Skipped atom 138, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 140, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz # WARNING: incomplete conformation T0370 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 T0370 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 146 # 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 148 # 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 149 # 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 148 # 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 153 # 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 110 # 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 96 # 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 106 # 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 98 # 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 139 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 T0370 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 # naming current conformation GeneSilicoMetaServer_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # naming current conformation HHpred2_TS1 # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # naming current conformation HHpred3_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 T0370 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 T0370 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 T0370 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 T0370 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 T0370 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 T0370 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 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 T0370 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 Skipped atom 110, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 112, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 114, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 116, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 104 # 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 147 # 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 113 # 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 59 # 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 102 # 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 107 # 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 147 # 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 145 # 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 59 # 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 # 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 153 # 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 153 # 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 153 # 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 153 # 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 153 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 131 # 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 129 # 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 140 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 T0370 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 T0370 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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 T0370 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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # 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 # 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 38 # 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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # 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 145 # 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 153 # 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 152 # 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 149 # 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 145 # 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 97 # 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 47 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 91 # 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 83 # 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 80 # 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 146 # 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 134 # 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 134 # 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 76 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # naming current conformation ROKKY_TS5 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 Skipped atom 138, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 140, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0370 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 Skipped atom 169, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz # WARNING: incomplete conformation T0370 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 T0370 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 T0370 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 T0370 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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL1 # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL2 # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL3 # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL4 # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL5 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 148 # 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 T0370 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 T0370 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 T0370 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 T0370 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 132 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # naming current conformation SP3_TS2 # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 38 # 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 114 # 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 113 # 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 117 # 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 38 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 114 # 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 109 # 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 117 # 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 69 # 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 38 # 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 117 # 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 113 # 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 T0370 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 T0370 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 T0370 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 T0370 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 T0370 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 Skipped atom 169, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0370 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 T0370 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 62, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 478, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 480, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz # WARNING: incomplete conformation T0370 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 T0370 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 152 # 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 151 # 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 151 # 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 152 # 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 136 # 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 151 # 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 T0370 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 T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL1 # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 Skipped atom 433, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 434, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 435, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 436, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 441, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 442, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 443, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 444, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 449, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 450, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 451, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 452, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 457, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 458, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 459, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 460, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 465, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 466, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 467, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 468, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 473, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 474, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 475, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 476, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 481, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 483, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 489, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 490, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 491, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 492, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 497, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 498, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 499, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 505, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 507, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 513, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 515, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 521, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 522, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 523, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 524, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 529, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 530, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 531, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 532, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz # WARNING: incomplete conformation T0370 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 T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL4 # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 130 # 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 120 # 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 # naming current conformation karypis.srv.2_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0370)T117.O and (T0370)T118.N only 0.000 apart, marking (T0370)T118.N as missing # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 # Found a chain break before 151 # copying to AlignedFragments data structure # 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 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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 T0370 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 T0370 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 T0370 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 T0370 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 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: incomplete conformation T0370 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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation shub_TS1 # command:Using radius: 8.0000 Using models AND alignments for constraints model score -0.3502 model score -0.3203 model score -0.3664 model score -0.4116 model score -0.3349 model score -0.5651 model score -0.5680 model score -0.5677 model score -0.5731 model score -0.5809 model score -0.5835 model score -0.1076 model score -0.1133 model score -0.1037 model score 0.0671 model score -0.1319 model score 0.4502 model score -0.1539 model score -0.1539 model score -0.3390 model score -0.3390 model score 0.4376 model score 0.3996 model score 0.4069 model score 0.4516 model score 0.4392 model score -0.3594 model score -0.3937 model score -0.1902 model score 1.0917 model score -0.3845 model score 1.4704 model score 1.6497 model score 1.4317 model score 1.3695 model score 1.4827 model score -0.4727 model score -0.3685 model score 0.8535 model score -0.4676 model score -0.4791 model score -0.4991 model score -0.4046 model score -0.4719 model score -0.3941 model score -0.1970 model score -0.3711 model score -0.2313 model score 1.4175 model score 1.2769 model score 1.2770 model score 1.2772 model score 1.2773 model score 1.2772 model score -0.4936 model score -0.0662 model score 0.1244 model score -0.0788 model score -0.4044 model score -0.4037 model score -0.4719 model score -0.4791 model score -0.4991 model score -0.4991 model score -0.2365 model score -0.0926 model score -0.3603 model score -0.2841 model score 1.0692 model score 1.2769 model score 1.2768 model score 1.2768 model score 1.2768 model score 1.2768 model score 1.2769 model score 1.2768 model score 1.2768 model score 1.2768 model score 1.2768 model score 1.9482 model score 2.0073 model score 2.3287 model score 2.0762 model score 2.1750 model score -0.3005 model score -0.3104 model score -0.0994 model score -0.3113 model score -0.3237 model score 1.2767 model score 1.2771 model score 1.2768 model score 1.2769 model score 1.2768 model score -0.1776 model score -0.2078 model score -0.2218 model score -0.2448 model score -0.2235 model score -0.0717 model score 0.7617 model score 0.8173 model score 0.0126 model score 0.4784 model score -0.3276 model score -0.0461 model score -0.4576 model score -0.3396 model score -0.2970 model score -0.3214 model score -0.4844 model score -0.4844 model score -0.3176 model score 1.3272 model score 0.9403 model score 0.9436 model score 1.9261 model score -0.2466 model score -0.0389 model score 1.5047 model score 0.2512 model score 0.0186 model score 1.2766 model score -0.4591 model score -0.4267 model score -0.3086 model score 0.7077 model score -0.4796 model score -0.4148 model score -0.4267 model score -0.5064 model score 0.7576 model score -0.4505 model score -0.5770 model score -0.3156 model score -0.3385 model score -0.5848 model score -0.5859 model score -0.2466 model score 2.4101 model score 1.9957 model score 2.3598 model score 2.5187 model score 2.0553 model score -0.4201 model score -0.4360 model score -0.4035 model score -0.4146 model score -0.4090 model score -0.4332 model score -0.4431 model score -0.4144 model score -0.4061 model score -0.4227 model score -0.2979 model score -0.3498 model score -0.3596 model score -0.3564 model score -0.2570 model score -0.4234 model score -0.3170 model score -0.3170 model score -0.3170 model score -0.4981 model score -0.4944 model score -0.4325 model score -0.4070 model score -0.3562 model score -0.3103 model score -0.3767 model score -0.4562 model score -0.3769 model score -0.4086 model score -0.2896 model score -0.4325 model score -0.4893 model score -0.4613 model score -0.4653 model score -0.2950 model score -0.4545 model score -0.5281 model score -0.5182 model score -0.4481 model score -0.2267 model score -0.4499 model score -0.4403 model score -0.2824 model score -0.2848 model score -0.4391 model score -0.4366 model score -0.4642 model score -0.4440 model score -0.2548 model score -0.2198 model score -0.1989 model score 1.2766 model score 1.2766 model score 1.2765 model score 1.2767 model score 1.2766 model score 1.2768 model score 1.2768 model score 1.2768 model score 1.2768 model score 1.2768 model score -0.4675 model score -0.1071 model score -0.4318 model score -0.4625 model score -0.2380 model score -0.4147 model score -0.4460 model score -0.4086 model score -0.1756 model score -0.4027 model score -0.4019 model score -0.4086 model score -0.4460 model score -0.3519 model score -0.2015 model score -0.3833 model score -0.4430 model score -0.4086 model score -0.2394 model score -0.4027 model score 1.2769 model score 1.2768 model score 1.2768 model score 1.2768 model score 1.2769 model score -0.5460 model score 1.2769 model score 1.2768 model score 1.2768 model score 1.2768 model score 1.2769 model score -0.5417 model score -0.5292 model score -0.5300 model score -0.5729 model score -0.5560 model score -0.4989 model score -0.4892 model score 1.2768 model score 1.2768 model score 1.2767 model score 1.2768 model score 1.2768 model score -0.3752 model score -0.4355 model score -0.4396 model score -0.4509 model score -0.3492 model score 2.0698 model score 1.9657 model score 2.3560 model score 2.1356 model score 1.8984 model score -0.4649 model score -0.1856 model score -0.2074 model score -0.1908 model score 1.0789 model score -0.4021 model score -0.2740 model score -0.2670 model score -0.3811 model score -0.3168 model score -0.4901 model score -0.4769 model score -0.4267 model score -0.4465 model score -0.4263 model score -0.3818 model score 0.9544 model score 1.4230 model score -0.5221 USE_META, weight: 0.9317 cost: -0.3502 min: -0.5859 max: 2.5187 USE_META, weight: 0.9230 cost: -0.3203 min: -0.5859 max: 2.5187 USE_META, weight: 0.9363 cost: -0.3664 min: -0.5859 max: 2.5187 USE_META, weight: 0.9495 cost: -0.4116 min: -0.5859 max: 2.5187 USE_META, weight: 0.9272 cost: -0.3349 min: -0.5859 max: 2.5187 USE_META, weight: 0.9940 cost: -0.5651 min: -0.5859 max: 2.5187 USE_META, weight: 0.9948 cost: -0.5680 min: -0.5859 max: 2.5187 USE_META, weight: 0.9947 cost: -0.5677 min: -0.5859 max: 2.5187 USE_META, weight: 0.9963 cost: -0.5731 min: -0.5859 max: 2.5187 USE_META, weight: 0.9985 cost: -0.5809 min: -0.5859 max: 2.5187 USE_META, weight: 0.9993 cost: -0.5835 min: -0.5859 max: 2.5187 USE_META, weight: 0.8614 cost: -0.1076 min: -0.5859 max: 2.5187 USE_META, weight: 0.8630 cost: -0.1133 min: -0.5859 max: 2.5187 USE_META, weight: 0.8602 cost: -0.1037 min: -0.5859 max: 2.5187 USE_META, weight: 0.8107 cost: 0.0671 min: -0.5859 max: 2.5187 USE_META, weight: 0.8684 cost: -0.1319 min: -0.5859 max: 2.5187 USE_META, weight: 0.6996 cost: 0.4502 min: -0.5859 max: 2.5187 USE_META, weight: 0.8747 cost: -0.1539 min: -0.5859 max: 2.5187 USE_META, weight: 0.8747 cost: -0.1539 min: -0.5859 max: 2.5187 USE_META, weight: 0.9284 cost: -0.3390 min: -0.5859 max: 2.5187 USE_META, weight: 0.9284 cost: -0.3390 min: -0.5859 max: 2.5187 USE_META, weight: 0.7033 cost: 0.4376 min: -0.5859 max: 2.5187 USE_META, weight: 0.7143 cost: 0.3996 min: -0.5859 max: 2.5187 USE_META, weight: 0.7122 cost: 0.4069 min: -0.5859 max: 2.5187 USE_META, weight: 0.6992 cost: 0.4516 min: -0.5859 max: 2.5187 USE_META, weight: 0.7028 cost: 0.4392 min: -0.5859 max: 2.5187 USE_META, weight: 0.9343 cost: -0.3594 min: -0.5859 max: 2.5187 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USE_META, weight: 0.4600 cost: 1.2769 min: -0.5859 max: 2.5187 USE_META, weight: 0.4600 cost: 1.2768 min: -0.5859 max: 2.5187 USE_META, weight: 0.4600 cost: 1.2768 min: -0.5859 max: 2.5187 USE_META, weight: 0.4600 cost: 1.2768 min: -0.5859 max: 2.5187 USE_META, weight: 0.4600 cost: 1.2768 min: -0.5859 max: 2.5187 USE_META, weight: 0.2654 cost: 1.9482 min: -0.5859 max: 2.5187 USE_META, weight: 0.2483 cost: 2.0073 min: -0.5859 max: 2.5187 USE_META, weight: 0.1551 cost: 2.3287 min: -0.5859 max: 2.5187 USE_META, weight: 0.2283 cost: 2.0762 min: -0.5859 max: 2.5187 USE_META, weight: 0.1996 cost: 2.1750 min: -0.5859 max: 2.5187 USE_META, weight: 0.9173 cost: -0.3005 min: -0.5859 max: 2.5187 USE_META, weight: 0.9201 cost: -0.3104 min: -0.5859 max: 2.5187 USE_META, weight: 0.8590 cost: -0.0994 min: -0.5859 max: 2.5187 USE_META, weight: 0.9204 cost: -0.3113 min: -0.5859 max: 2.5187 USE_META, weight: 0.9240 cost: -0.3237 min: -0.5859 max: 2.5187 USE_META, weight: 0.4600 cost: 1.2767 min: -0.5859 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eval: 0.0000 min: 0.0000 max: 0.1256 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.1256 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.1256 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.1256 USE_EVALUE, weight: 0.9076 eval: 0.0129 min: 0.0000 max: 0.1256 USE_EVALUE, weight: 0.9076 eval: 0.0129 min: 0.0000 max: 0.1256 USE_EVALUE, weight: 0.9076 eval: 0.0129 min: 0.0000 max: 0.1256 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.1256 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.1256 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.1256 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.1256 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.1256 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.1256 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.1256 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.1256 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.1256 Number of contacts in models: 277 Number of contacts in alignments: 63 NUMB_ALIGNS: 63 Adding 5848 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: -261.4071, CN propb: -261.4071 weights: 0.3215 constraints: 551 # command:Found ConstraintSet # PrintContacts align.constraints_meta03 Number of constraints in align3.constraints 551 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta03 Number of constraints in align3.constraints.bonus 551 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta03 Number of constraints in rejected3.constraints 5297 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta03 Number of constraints in rejected3.constraints.bonus 5297 # 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 5848 # command: