# 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/T0332/ # command:# Making conformation for sequence T0332 numbered 1 through 159 Created new target T0332 from T0332.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0332/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0332//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0332/manyalignments-good-all.under or /projects/compbio/experiments/protein-predict/casp7/T0332//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0332/manyalignments-good-all.under.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0332/manyalignments-good-all.under # reading script from file /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0332/manyalignments-good-all.under # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vbuA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1vbuA expands to /projects/compbio/data/pdb/1vbu.pdb.gz 1vbuA:# T0332 read from 1vbuA/merged-good-all-a2m # 1vbuA read from 1vbuA/merged-good-all-a2m # adding 1vbuA to template set # found chain 1vbuA in template set T0332 4 :SISRLIVVASLID 1vbuA 637 :GRVKIWDVVNEAV # choosing archetypes in rotamer library T0332 17 :KPTNLGGLCRTCEVF 1vbuA 665 :GPEYIEKAFRWAKEA T0332 32 :GA 1vbuA 682 :DA T0332 35 :VLVVGSLQC 1vbuA 684 :ILIYNDYSI T0332 44 :ISDKQFQHLSVSAEQ 1vbuA 694 :EINAKSNFVYNMIKE T0332 59 :WLPLVEVKPPQLIDYLQQKKTEGYTIIGVEQ 1vbuA 724 :HIDYRGLNYDSFRRNLERFAKLGLQIYITEM T0332 127 :CVEIPQQGI 1vbuA 755 :DVRIPLSGS T0332 141 :VHVSGALLIW 1vbuA 768 :LKKQAEVCAK Number of specific fragments extracted= 8 number of extra gaps= 0 total=8 Number of alignments=1 # 1vbuA read from 1vbuA/merged-good-all-a2m # found chain 1vbuA in template set T0332 4 :SISRLIVVASLID 1vbuA 637 :GRVKIWDVVNEAV T0332 17 :KPTNLGGLCRTCEVF 1vbuA 665 :GPEYIEKAFRWAKEA T0332 32 :GASVLVVGSLQCISDKQ 1vbuA 682 :DAILIYNDYSIEEINAK T0332 49 :FQHLSVSAEQ 1vbuA 702 :VYNMIKELKE T0332 59 :WLPLVEVKPPQLIDYLQQKKTEGYTIIGVEQ 1vbuA 724 :HIDYRGLNYDSFRRNLERFAKLGLQIYITEM T0332 127 :CVEIPQQGI 1vbuA 755 :DVRIPLSGS Number of specific fragments extracted= 6 number of extra gaps= 0 total=14 Number of alignments=2 # 1vbuA read from 1vbuA/merged-good-all-a2m # found chain 1vbuA in template set T0332 4 :SISRLIVVASLIDKPT 1vbuA 637 :GRVKIWDVVNEAVSDS T0332 21 :LGGLCRTCEVF 1vbuA 669 :IEKAFRWAKEA T0332 32 :GASVLVVG 1vbuA 682 :DAILIYND T0332 41 :LQCISDKQFQHLSVSA 1vbuA 690 :YSIEEINAKSNFVYNM T0332 57 :EQWL 1vbuA 713 :GVPV T0332 62 :LVEVKPPQ 1vbuA 722 :QMHIDYRG T0332 70 :LIDYLQQKKTEGYTIIGVE 1vbuA 735 :FRRNLERFAKLGLQIYITE T0332 126 :VCVEIPQQGI 1vbuA 754 :MDVRIPLSGS Number of specific fragments extracted= 8 number of extra gaps= 0 total=22 Number of alignments=3 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1v6zA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1v6zA expands to /projects/compbio/data/pdb/1v6z.pdb.gz 1v6zA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0332 read from 1v6zA/merged-good-all-a2m # 1v6zA read from 1v6zA/merged-good-all-a2m # adding 1v6zA to template set # found chain 1v6zA in template set T0332 5 :ISRLIVVASLIDK 1v6zA 70 :GVEVVLYVALLKG T0332 19 :TNLGGLCRTCEVFGASVL 1v6zA 83 :DKLAEVVRAATELGATRI T0332 37 :VVGSLQC 1v6zA 102 :PLVTRHS T0332 44 :ISDKQFQH 1v6zA 112 :EMGEGKLR T0332 69 :QLIDYLQQK 1v6zA 120 :RLRAVALEA T0332 85 :IGVEQTAKSLDLTQYCFPE 1v6zA 155 :GLVAHVGATARVREVLDPE T0332 104 :KSLLLLGNER 1v6zA 175 :PLALAVGPEG T0332 115 :GIPANLIQQL 1v6zA 185 :GFAEEEVALL T0332 127 :CVEIPQQGI 1v6zA 199 :FTPVSLGRR T0332 136 :IRSLNVHVSGA 1v6zA 209 :LRAETAALALL Number of specific fragments extracted= 10 number of extra gaps= 0 total=32 Number of alignments=4 # 1v6zA read from 1v6zA/merged-good-all-a2m # found chain 1v6zA in template set T0332 5 :ISRLIVVASLIDK 1v6zA 70 :GVEVVLYVALLKG T0332 19 :TNLGGLCRTCEVFGASVLVVGSLQ 1v6zA 83 :DKLAEVVRAATELGATRIQPLVTR T0332 45 :S 1v6zA 110 :P T0332 46 :DKQFQH 1v6zA 114 :GEGKLR T0332 69 :QLIDYLQQK 1v6zA 120 :RLRAVALEA T0332 83 :TIIGVE 1v6zA 154 :QGLVAH T0332 90 :TAKSLDLTQY 1v6zA 160 :VGATARVREV T0332 100 :CFPEKSLLLLGNER 1v6zA 171 :DPEKPLALAVGPEG T0332 115 :GIPANLIQQL 1v6zA 185 :GFAEEEVALL T0332 127 :CVEIPQQGI 1v6zA 199 :FTPVSLGRR T0332 136 :IR 1v6zA 209 :LR T0332 141 :VHVSGALLIW 1v6zA 211 :AETAALALLA Number of specific fragments extracted= 12 number of extra gaps= 0 total=44 Number of alignments=5 # 1v6zA read from 1v6zA/merged-good-all-a2m # found chain 1v6zA in template set T0332 4 :SISRLIVVASLIDKPT 1v6zA 69 :VGVEVVLYVALLKGDK T0332 21 :LGGLCRTCEVFGASVLVVGSLQ 1v6zA 85 :LAEVVRAATELGATRIQPLVTR T0332 43 :CISD 1v6zA 108 :SVPK T0332 47 :KQFQHL 1v6zA 115 :EGKLRR T0332 70 :LIDYLQQK 1v6zA 121 :LRAVALEA T0332 78 :KTEGY 1v6zA 130 :KQSGR T0332 83 :TIIGVE 1v6zA 154 :QGLVAH T0332 90 :TAKSLDLTQY 1v6zA 160 :VGATARVREV T0332 100 :CFPEKSLLLLGNER 1v6zA 171 :DPEKPLALAVGPEG T0332 115 :GIPANLIQQL 1v6zA 185 :GFAEEEVALL T0332 125 :DVCVEIPQQG 1v6zA 197 :RGFTPVSLGR T0332 135 :IIRSLNVHVSGAL 1v6zA 208 :ILRAETAALALLA Number of specific fragments extracted= 12 number of extra gaps= 0 total=56 Number of alignments=6 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1mxiA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0332 read from 1mxiA/merged-good-all-a2m # 1mxiA read from 1mxiA/merged-good-all-a2m # found chain 1mxiA in training set Warning: unaligning (T0332)R7 because first residue in template chain is (1mxiA)M1 T0332 8 :LIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQC 1mxiA 2 :LDIVLYEPEIPQNTGNIIRLCANTGFRLHLIEPLGF T0332 44 :ISDKQFQHLSVSAEQWLPLVEVK 1mxiA 39 :WDDKRLRRSGLDYHEFAEIKRHK T0332 69 :QLIDYLQQK 1mxiA 62 :TFEAFLESE T0332 78 :KT 1mxiA 72 :PK T0332 83 :TIIGVE 1mxiA 74 :RLFALT T0332 90 :TAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQL 1mxiA 80 :TKGCPAHSQVKFKLGDYLMFGPETRGIPMSILNEM T0332 125 :DVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQLL 1mxiA 117 :EQKIRIPMTANSRSMNLSNSVAVTVYEAWRQLGY Number of specific fragments extracted= 7 number of extra gaps= 0 total=63 Number of alignments=7 # 1mxiA read from 1mxiA/merged-good-all-a2m # found chain 1mxiA in training set Warning: unaligning (T0332)R7 because first residue in template chain is (1mxiA)M1 T0332 8 :LIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQCIS 1mxiA 2 :LDIVLYEPEIPQNTGNIIRLCANTGFRLHLIEPLGFTW T0332 46 :DKQFQHLSVSAEQWLPLVEVK 1mxiA 41 :DKRLRRSGLDYHEFAEIKRHK T0332 69 :QLIDYLQQK 1mxiA 62 :TFEAFLESE T0332 79 :T 1mxiA 73 :K T0332 83 :TIIGVE 1mxiA 74 :RLFALT T0332 90 :TAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQL 1mxiA 80 :TKGCPAHSQVKFKLGDYLMFGPETRGIPMSILNEM T0332 125 :DVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQLL 1mxiA 117 :EQKIRIPMTANSRSMNLSNSVAVTVYEAWRQLGY Number of specific fragments extracted= 7 number of extra gaps= 0 total=70 Number of alignments=8 # 1mxiA read from 1mxiA/merged-good-all-a2m # found chain 1mxiA in training set T0332 8 :LIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQCISDKQFQHL 1mxiA 2 :LDIVLYEPEIPQNTGNIIRLCANTGFRLHLIEPLGFTWDDKRLRR T0332 54 :VSAEQWLPLVEVKPPQLIDYLQQK 1mxiA 47 :SGLDYHEFAEIKRHKTFEAFLESE T0332 83 :TIIGVE 1mxiA 74 :RLFALT T0332 90 :TAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQL 1mxiA 80 :TKGCPAHSQVKFKLGDYLMFGPETRGIPMSILNEM T0332 125 :DVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQL 1mxiA 117 :EQKIRIPMTANSRSMNLSNSVAVTVYEAWRQLG Number of specific fragments extracted= 5 number of extra gaps= 0 total=75 Number of alignments=9 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1z85A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1z85A expands to /projects/compbio/data/pdb/1z85.pdb.gz 1z85A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 1584, because occupancy 0.35 <= existing 0.650 in 1z85A Skipped atom 1586, because occupancy 0.350 <= existing 0.650 in 1z85A Skipped atom 1588, because occupancy 0.350 <= existing 0.650 in 1z85A # T0332 read from 1z85A/merged-good-all-a2m # 1z85A read from 1z85A/merged-good-all-a2m # adding 1z85A to template set # found chain 1z85A in template set Warning: unaligning (T0332)T90 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1z85A)Q159 Warning: unaligning (T0332)L94 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1z85A)Q159 Warning: unaligning (T0332)D95 because of BadResidue code TOO_FEW_ATOMS+NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1z85A)N160 Warning: unaligning (T0332)L96 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1z85A)L161 T0332 2 :GKSISRLIVV 1z85A 69 :KEPTEKLSVV T0332 13 :SLIDKPTNLGGLCRTCEVFGASVLVVGSLQCISDK 1z85A 79 :VPIGRWERTRFLIEKCVELGVDEIFFHKFERSQHE T0332 65 :VKPPQLIDYLQQK 1z85A 114 :ISLDKAKIVVREA T0332 79 :TEGYTIIGVE 1z85A 145 :EFSGNVITLD T0332 97 :TQYCFPEKSLLLLGNER 1z85A 162 :LDANLEGSITVVVGPEG T0332 115 :GIPANLIQQLD 1z85A 179 :GFSEKERELLR Number of specific fragments extracted= 6 number of extra gaps= 0 total=81 Number of alignments=10 # 1z85A read from 1z85A/merged-good-all-a2m # found chain 1z85A in template set Warning: unaligning (T0332)T90 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1z85A)Q159 Warning: unaligning (T0332)L94 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1z85A)Q159 Warning: unaligning (T0332)D95 because of BadResidue code TOO_FEW_ATOMS+NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1z85A)N160 Warning: unaligning (T0332)L96 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1z85A)L161 Warning: unaligning (T0332)V128 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1z85A)L202 T0332 2 :GKSISRLIVV 1z85A 69 :KEPTEKLSVV T0332 13 :SLIDKPTNLGGLCRTCEVFGASVLVVGSLQCISD 1z85A 79 :VPIGRWERTRFLIEKCVELGVDEIFFHKFERSQH T0332 47 :KQFQHLSVSAE 1z85A 117 :DKAKIVVREAA T0332 58 :QWLPLVEVK 1z85A 134 :LFPKVSFLE T0332 69 :QL 1z85A 143 :KL T0332 79 :TEGYTIIGVE 1z85A 145 :EFSGNVITLD T0332 97 :TQYCFPEKSLLLLGNER 1z85A 162 :LDANLEGSITVVVGPEG T0332 115 :GIPANLIQQL 1z85A 179 :GFSEKERELL T0332 125 :DVC 1z85A 192 :TTI Number of specific fragments extracted= 9 number of extra gaps= 0 total=90 Number of alignments=11 # 1z85A read from 1z85A/merged-good-all-a2m # found chain 1z85A in template set Warning: unaligning (T0332)T90 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1z85A)Q159 Warning: unaligning (T0332)L94 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1z85A)Q159 Warning: unaligning (T0332)D95 because of BadResidue code TOO_FEW_ATOMS+NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1z85A)N160 Warning: unaligning (T0332)L96 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1z85A)L161 Warning: unaligning (T0332)P131 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1z85A)L202 T0332 2 :GKSISRLIVVASLID 1z85A 69 :KEPTEKLSVVVPIGR T0332 21 :LGGLCRTCEVFGASVLVVGSLQCISDK 1z85A 87 :TRFLIEKCVELGVDEIFFHKFERSQHE T0332 48 :QFQHLSVS 1z85A 120 :KIVVREAA T0332 56 :AEQWLPLVEVKPPQL 1z85A 130 :CKRYLFPKVSFLEKL T0332 80 :EGYTIIGVE 1z85A 146 :FSGNVITLD T0332 97 :TQYCFPEKSLLLLGNER 1z85A 162 :LDANLEGSITVVVGPEG T0332 115 :GIPANLIQQLDVCVEI 1z85A 179 :GFSEKERELLRSSTTI Number of specific fragments extracted= 7 number of extra gaps= 0 total=97 Number of alignments=12 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ualA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0332 read from 1ualA/merged-good-all-a2m # 1ualA read from 1ualA/merged-good-all-a2m # found chain 1ualA in training set Warning: unaligning (T0332)S6 because first residue in template chain is (1ualA)S-1 T0332 7 :RLIVVASLID 1ualA 0 :HMWIGVISLF T0332 17 :KPTNLG 1ualA 18 :EFGVTG T0332 26 :R 1ualA 24 :R T0332 28 :CEVFGASVLVVGSLQC 1ualA 25 :AVKHNLLKVECWNPRD T0332 44 :ISDKQ 1ualA 42 :TFDKH T0332 61 :PLVEVKPPQLIDYLQQK 1ualA 58 :PGMLMMVQPLRDAIHTA T0332 78 :KTEGYTIIGVEQT 1ualA 78 :AGEGAKVIYLSPQ T0332 93 :SL 1ualA 91 :GR T0332 100 :CFP 1ualA 93 :KLD T0332 103 :EKSLLLLGN 1ualA 106 :QKLILVCGR T0332 113 :REGIPANLIQ 1ualA 115 :YEGIDERLIQ T0332 123 :QLDVCVEIPQQGIIRS 1ualA 126 :EIDEEWSIGDYVLTGG T0332 142 :HVSGALLIWE 1ualA 142 :ELPAMTLIDA Number of specific fragments extracted= 13 number of extra gaps= 0 total=110 Number of alignments=13 # 1ualA read from 1ualA/merged-good-all-a2m # found chain 1ualA in training set Warning: unaligning (T0332)S6 because first residue in template chain is (1ualA)S-1 T0332 7 :RLIVVASLIDKPT 1ualA 0 :HMWIGVISLFPEM T0332 20 :NLG 1ualA 21 :VTG T0332 26 :R 1ualA 24 :R T0332 28 :CEVFGASVLVVGSLQ 1ualA 25 :AVKHNLLKVECWNPR T0332 43 :CISDKQ 1ualA 41 :FTFDKH T0332 61 :PLVEVKPPQLIDYLQQKKT 1ualA 58 :PGMLMMVQPLRDAIHTAKA T0332 80 :EGYTIIGVEQ 1ualA 80 :EGAKVIYLSP T0332 92 :KSLDLTQ 1ualA 90 :QGRKLDQ T0332 99 :YCFPEKSLLLLGN 1ualA 102 :LAQNQKLILVCGR T0332 113 :REGIPANLIQ 1ualA 115 :YEGIDERLIQ T0332 123 :QLDVCVEIPQQGI 1ualA 126 :EIDEEWSIGDYVL T0332 142 :HVSGALLIWEYT 1ualA 142 :ELPAMTLIDAVA Number of specific fragments extracted= 12 number of extra gaps= 0 total=122 Number of alignments=14 # 1ualA read from 1ualA/merged-good-all-a2m # found chain 1ualA in training set Warning: unaligning (T0332)S6 because first residue in template chain is (1ualA)S-1 T0332 7 :RLIVVASLIDKPT 1ualA 0 :HMWIGVISLFPEM T0332 24 :LC 1ualA 22 :TG T0332 27 :TCEVFGASVLVVGSLQCISDKQFQHL 1ualA 24 :RAVKHNLLKVECWNPRDFTFDKHKTV T0332 63 :VE 1ualA 50 :DD T0332 70 :LIDYLQQKKT 1ualA 67 :LRDAIHTAKA T0332 80 :EGYTIIGVEQTAKSLD 1ualA 80 :EGAKVIYLSPQGRKLD T0332 96 :LTQYCFPEKSLLLLGNE 1ualA 99 :VTELAQNQKLILVCGRY T0332 114 :EGIPANLIQ 1ualA 116 :EGIDERLIQ T0332 123 :QLDVCVEIPQQGIIRS 1ualA 126 :EIDEEWSIGDYVLTGG T0332 144 :SGALLIWEYT 1ualA 143 :LPAMTLIDAV Number of specific fragments extracted= 10 number of extra gaps= 0 total=132 Number of alignments=15 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1qwgA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0332 read from 1qwgA/merged-good-all-a2m # 1qwgA read from 1qwgA/merged-good-all-a2m # found chain 1qwgA in training set Warning: unaligning (T0332)Y82 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1qwgA)M129 Warning: unaligning (T0332)T83 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1qwgA)M129 T0332 2 :GK 1qwgA 10 :DF T0332 5 :ISRLIVVASLIDKPTNLGGLCRTCE 1qwgA 12 :QRGLTVVLDKGLPPKFVEDYLKVCG T0332 33 :ASVLVVGSLQC 1qwgA 39 :IDFVKFGWGTS T0332 44 :ISDKQFQHLSVSAEQW 1qwgA 52 :IDRDVVKEKINYYKDW T0332 60 :LPLVEV 1qwgA 69 :IKVYPG T0332 66 :KPPQLIDYLQQK 1qwgA 86 :KFDEFLNECEKL T0332 78 :KTEG 1qwgA 124 :KDNG T0332 84 :IIGVEQTAK 1qwgA 130 :VLTEVGKKM T0332 104 :KSLLLLGNER 1qwgA 163 :DYVIIEGRES T0332 114 :EG 1qwgA 182 :EG T0332 116 :IPANLIQQL 1qwgA 185 :VKENELDVL Number of specific fragments extracted= 11 number of extra gaps= 1 total=143 Number of alignments=16 # 1qwgA read from 1qwgA/merged-good-all-a2m # found chain 1qwgA in training set Warning: unaligning (T0332)Y82 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1qwgA)M129 Warning: unaligning (T0332)T83 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1qwgA)M129 T0332 2 :GKSISRLIVVASLIDKPTNLGGLCR 1qwgA 9 :EDFQRGLTVVLDKGLPPKFVEDYLK T0332 33 :ASVLVVGSLQCIS 1qwgA 39 :IDFVKFGWGTSAV T0332 46 :DKQFQHLSVSAEQW 1qwgA 54 :RDVVKEKINYYKDW T0332 60 :LPLVEV 1qwgA 69 :IKVYPG T0332 67 :PPQLIDYLQQK 1qwgA 84 :KGKFDEFLNEC T0332 78 :KTEG 1qwgA 124 :KDNG T0332 84 :IIGVEQTA 1qwgA 130 :VLTEVGKK T0332 92 :KSLDLTQ 1qwgA 143 :KQLTIDD T0332 103 :EKSLLLLGNER 1qwgA 162 :ADYVIIEGRES T0332 114 :EG 1qwgA 182 :EG T0332 116 :IPANLIQQL 1qwgA 185 :VKENELDVL T0332 125 :DVCVEIPQ 1qwgA 201 :KVIFEAPQ T0332 141 :VHVSGA 1qwgA 211 :QQVAFI Number of specific fragments extracted= 13 number of extra gaps= 1 total=156 Number of alignments=17 # 1qwgA read from 1qwgA/merged-good-all-a2m # found chain 1qwgA in training set Warning: unaligning (T0332)Y82 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1qwgA)M129 Warning: unaligning (T0332)T83 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1qwgA)M129 T0332 3 :KSISRLIVVASLIDKPTNLGGLCRT 1qwgA 10 :DFQRGLTVVLDKGLPPKFVEDYLKV T0332 33 :ASVLVVGSLQCISDKQFQHL 1qwgA 39 :IDFVKFGWGTSAVIDRDVVK T0332 54 :VSAEQW 1qwgA 59 :EKINYY T0332 60 :LPLVEVK 1qwgA 67 :WGIKVYP T0332 68 :PQLIDYLQQK 1qwgA 85 :GKFDEFLNEC T0332 78 :KTEG 1qwgA 124 :KDNG T0332 84 :IIGVEQTAK 1qwgA 130 :VLTEVGKKM T0332 102 :PEKSLLLLGNER 1qwgA 161 :GADYVIIEGRES T0332 114 :EGIPANLIQQL 1qwgA 183 :GKVKENELDVL Number of specific fragments extracted= 9 number of extra gaps= 1 total=165 Number of alignments=18 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2as0A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2as0A expands to /projects/compbio/data/pdb/2as0.pdb.gz 2as0A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0332 read from 2as0A/merged-good-all-a2m # 2as0A read from 2as0A/merged-good-all-a2m # adding 2as0A to template set # found chain 2as0A in template set T0332 2 :GK 2as0A 216 :QP T0332 7 :RLIVVASLIDKP 2as0A 218 :GDRVLDVFTYTG T0332 22 :G 2as0A 230 :G T0332 24 :LCRTCEVFGASVLVVGSLQ 2as0A 231 :FAIHAAIAGADEVIGIDKS T0332 47 :KQFQHLSVSA 2as0A 250 :PRAIETAKEN T0332 57 :EQWLPLVEVK 2as0A 266 :EDRMKFIVGS T0332 70 :LIDYLQQKKTEG 2as0A 276 :AFEEMEKLQKKG T0332 82 :YTIIGVEQTAKSLDLTQY 2as0A 290 :FDIVVLDPPAFVQHEKDL T0332 118 :ANLIQQL 2as0A 308 :KAGLRAY T0332 139 :LNVHVSGA 2as0A 315 :FNVNFAGL Number of specific fragments extracted= 10 number of extra gaps= 0 total=175 Number of alignments=19 # 2as0A read from 2as0A/merged-good-all-a2m # found chain 2as0A in template set T0332 5 :ISRLIVVASLID 2as0A 216 :QPGDRVLDVFTY T0332 21 :LGGLCRTCEVFGASVLVVGSL 2as0A 228 :TGGFAIHAAIAGADEVIGIDK T0332 46 :DKQFQHLSVSA 2as0A 249 :SPRAIETAKEN T0332 57 :EQWLPLVEV 2as0A 266 :EDRMKFIVG T0332 69 :QLIDYLQQKKTEG 2as0A 275 :SAFEEMEKLQKKG T0332 82 :YTIIGVEQTAKSLDLTQ 2as0A 290 :FDIVVLDPPAFVQHEKD T0332 118 :ANLIQQL 2as0A 308 :KAGLRAY T0332 139 :LNVHVSGA 2as0A 315 :FNVNFAGL Number of specific fragments extracted= 8 number of extra gaps= 0 total=183 Number of alignments=20 # 2as0A read from 2as0A/merged-good-all-a2m # found chain 2as0A in template set T0332 4 :SISRLIVVASLID 2as0A 215 :VQPGDRVLDVFTY T0332 21 :LGGLCRTCEVFGASVLVVGSLQ 2as0A 228 :TGGFAIHAAIAGADEVIGIDKS T0332 47 :KQFQHL 2as0A 250 :PRAIET T0332 53 :SVSAEQWLPLVEVKPPQLIDYLQQKKTEG 2as0A 259 :NAKLNGVEDRMKFIVGSAFEEMEKLQKKG T0332 82 :YTIIGVEQTAKSLDLTQY 2as0A 290 :FDIVVLDPPAFVQHEKDL T0332 118 :ANLIQQL 2as0A 308 :KAGLRAY T0332 139 :LNVHVSG 2as0A 315 :FNVNFAG Number of specific fragments extracted= 7 number of extra gaps= 0 total=190 Number of alignments=21 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1zxxA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1zxxA expands to /projects/compbio/data/pdb/1zxx.pdb.gz 1zxxA:# T0332 read from 1zxxA/merged-good-all-a2m # 1zxxA read from 1zxxA/merged-good-all-a2m # adding 1zxxA to template set # found chain 1zxxA in template set T0332 6 :SRLIVVASLIDKPTNL 1zxxA 161 :HRVFIVNVMGRNCGDI T0332 24 :LCRTCEVFGASVLVVGSLQ 1zxxA 177 :AMRVGVACGADAIVIPERP T0332 65 :VKPPQLIDYLQQKKTEGY 1zxxA 196 :YDVEEIANRLKQAQESGK T0332 83 :TIIGVE 1zxxA 216 :GLVVVA T0332 91 :AKSLDL 1zxxA 222 :EGVMTA Number of specific fragments extracted= 5 number of extra gaps= 0 total=195 Number of alignments=22 # 1zxxA read from 1zxxA/merged-good-all-a2m # found chain 1zxxA in template set T0332 6 :SRLIVVASLIDKPTNL 1zxxA 161 :HRVFIVNVMGRNCGDI T0332 24 :LCRTCEVFGASVLVVGSLQCI 1zxxA 177 :AMRVGVACGADAIVIPERPYD T0332 67 :PPQLIDYLQQKKTEG 1zxxA 198 :VEEIANRLKQAQESG T0332 82 :YTIIGV 1zxxA 215 :HGLVVV T0332 90 :TAKSLDLTQ 1zxxA 221 :AEGVMTADQ T0332 119 :NLIQQ 1zxxA 233 :ELKKY T0332 124 :LD 1zxxA 240 :FD T0332 128 :VEIPQQG 1zxxA 242 :VRANVLG Number of specific fragments extracted= 8 number of extra gaps= 0 total=203 Number of alignments=23 # 1zxxA read from 1zxxA/merged-good-all-a2m # found chain 1zxxA in template set T0332 6 :SRLIVVASLIDKPTN 1zxxA 161 :HRVFIVNVMGRNCGD T0332 23 :GLCRTCEVFGASVLVVGSLQCISDK 1zxxA 176 :IAMRVGVACGADAIVIPERPYDVEE T0332 70 :LIDYLQQKKTEGY 1zxxA 201 :IANRLKQAQESGK T0332 83 :TIIGVE 1zxxA 216 :GLVVVA T0332 91 :AKSLD 1zxxA 222 :EGVMT Number of specific fragments extracted= 5 number of extra gaps= 0 total=208 Number of alignments=24 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1eny/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1eny expands to /projects/compbio/data/pdb/1eny.pdb.gz 1eny:Warning: there is no chain 1eny will retry with 1enyA # T0332 read from 1eny/merged-good-all-a2m # 1eny read from 1eny/merged-good-all-a2m # adding 1eny to template set # found chain 1eny in template set Warning: unaligning (T0332)A12 because of BadResidue code BAD_PEPTIDE in next template residue (1eny)S13 Warning: unaligning (T0332)S13 because of BadResidue code BAD_PEPTIDE at template residue (1eny)S13 Warning: unaligning (T0332)S40 because of BadResidue code BAD_PEPTIDE in next template residue (1eny)D42 Warning: unaligning (T0332)L41 because of BadResidue code BAD_PEPTIDE at template residue (1eny)D42 Warning: unaligning (T0332)S93 because of BadResidue code BAD_PEPTIDE in next template residue (1eny)M103 T0332 7 :RLIVV 1eny 7 :GKRIL T0332 14 :LIDKPTNLG 1eny 14 :GIITDSSIA T0332 23 :GLCRTCEVFGASVLVVG 1eny 24 :HIARVAQEQGAQLVLTG T0332 42 :Q 1eny 43 :R T0332 46 :DKQFQHLSVSAEQWLPLVEVK 1eny 44 :LRLIQRITDRLPAKAPLLELD T0332 67 :PPQLIDYLQQKKTEGYTIIGV 1eny 71 :LASLAGRVTEAIGAGNKLDGV T0332 88 :E 1eny 94 :S T0332 89 :QTAK 1eny 98 :MPQT T0332 94 :LDLTQY 1eny 106 :NPFFDA T0332 102 :P 1eny 112 :P T0332 103 :EKSLLLLGN 1eny 141 :GGSIVGMDF T0332 131 :PQQGIIRSLNVHVSGALLIWEYTRQQ 1eny 150 :DPSRAMPAYNWMTVAKSALESVNRFV Number of specific fragments extracted= 12 number of extra gaps= 3 total=220 Number of alignments=25 # 1eny read from 1eny/merged-good-all-a2m # found chain 1eny in template set Warning: unaligning (T0332)A12 because of BadResidue code BAD_PEPTIDE in next template residue (1eny)S13 Warning: unaligning (T0332)S13 because of BadResidue code BAD_PEPTIDE at template residue (1eny)S13 Warning: unaligning (T0332)S40 because of BadResidue code BAD_PEPTIDE in next template residue (1eny)D42 Warning: unaligning (T0332)I44 because of BadResidue code BAD_PEPTIDE at template residue (1eny)D42 Warning: unaligning (T0332)S93 because of BadResidue code BAD_PEPTIDE in next template residue (1eny)M103 T0332 6 :SRLIVV 1eny 6 :DGKRIL T0332 14 :LIDKPTNLG 1eny 14 :GIITDSSIA T0332 23 :GLCRTCEVFGASVLVVG 1eny 24 :HIARVAQEQGAQLVLTG T0332 45 :SDKQFQHLSVSAEQWLPLVEVK 1eny 43 :RLRLIQRITDRLPAKAPLLELD T0332 67 :PPQLIDYLQQKKTEGYTIIGV 1eny 71 :LASLAGRVTEAIGAGNKLDGV T0332 89 :QTAK 1eny 98 :MPQT T0332 94 :LDLTQ 1eny 106 :NPFFD T0332 99 :YCFPEKSLLLLGN 1eny 137 :IMNPGGSIVGMDF T0332 131 :PQQGIIRSLNVHVSGALLIWEYTRQQ 1eny 150 :DPSRAMPAYNWMTVAKSALESVNRFV Number of specific fragments extracted= 9 number of extra gaps= 3 total=229 Number of alignments=26 # 1eny read from 1eny/merged-good-all-a2m # found chain 1eny in template set Warning: unaligning (T0332)A12 because of BadResidue code BAD_PEPTIDE in next template residue (1eny)S13 Warning: unaligning (T0332)S13 because of BadResidue code BAD_PEPTIDE at template residue (1eny)S13 Warning: unaligning (T0332)S40 because of BadResidue code BAD_PEPTIDE in next template residue (1eny)D42 Warning: unaligning (T0332)L41 because of BadResidue code BAD_PEPTIDE at template residue (1eny)D42 Warning: unaligning (T0332)S93 because of BadResidue code BAD_PEPTIDE in next template residue (1eny)M103 T0332 7 :RLIVV 1eny 7 :GKRIL T0332 14 :LIDKPTNLG 1eny 14 :GIITDSSIA T0332 23 :GLCRTCEVFGASVLVVG 1eny 24 :HIARVAQEQGAQLVLTG T0332 46 :DKQFQHL 1eny 43 :RLRLIQR T0332 54 :VSAEQWLPLVEVKPP 1eny 50 :ITDRLPAKAPLLELD T0332 69 :QLIDYLQQKKTEG 1eny 73 :SLAGRVTEAIGAG T0332 82 :YTIIGVEQ 1eny 88 :LDGVVHSI T0332 90 :TAK 1eny 99 :PQT T0332 94 :LDLTQYCF 1eny 106 :NPFFDAPY T0332 102 :PEKSLLLLGN 1eny 140 :PGGSIVGMDF T0332 131 :PQQGIIRSLNVHVSGALLIWEYTR 1eny 150 :DPSRAMPAYNWMTVAKSALESVNR Number of specific fragments extracted= 11 number of extra gaps= 3 total=240 Number of alignments=27 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1k3rA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1k3rA expands to /projects/compbio/data/pdb/1k3r.pdb.gz 1k3rA:# T0332 read from 1k3rA/merged-good-all-a2m # 1k3rA read from 1k3rA/merged-good-all-a2m # adding 1k3rA to template set # found chain 1k3rA in template set T0332 4 :SISRLIVVASL 1k3rA 2 :NRVDLSLFIPD T0332 15 :IDK 1k3rA 18 :TGD T0332 18 :PTNLGGLCRTCEVFGASVLVVGSLQC 1k3rA 25 :TYKVVLIARAASIFGVKRIVIYHDDA T0332 44 :ISDK 1k3rA 52 :GEAR T0332 69 :QLIDYLQQK 1k3rA 56 :FIRDILTYM T0332 78 :K 1k3rA 183 :A T0332 83 :TIIGVE 1k3rA 184 :DVVVAT T0332 90 :TAKSLDLTQY 1k3rA 190 :SRNASPITSI T0332 100 :CFPEKSLLLLGNEREGIPA 1k3rA 208 :RGAREAAILFGGPYKGLPE T0332 124 :LDVC 1k3rA 229 :ADIW T0332 130 :IPQQGI 1k3rA 233 :VNTLPG T0332 136 :IR 1k3rA 244 :VR T0332 141 :VHVSGALLIWEYTRQ 1k3rA 246 :TEEAVLATLSVFNML Number of specific fragments extracted= 13 number of extra gaps= 0 total=253 Number of alignments=28 # 1k3rA read from 1k3rA/merged-good-all-a2m # found chain 1k3rA in template set T0332 4 :SISRLIVVASL 1k3rA 2 :NRVDLSLFIPD T0332 19 :TNLGGLCRTCEVFGASVLVVGSLQCISD 1k3rA 26 :YKVVLIARAASIFGVKRIVIYHDDADGE T0332 67 :PPQLIDYLQQK 1k3rA 54 :ARFIRDILTYM T0332 81 :GYTIIGVE 1k3rA 182 :GADVVVAT T0332 90 :TAKSLDLTQ 1k3rA 190 :SRNASPITS T0332 99 :YCFPEKSLLLLGNEREGIPA 1k3rA 207 :MRGAREAAILFGGPYKGLPE T0332 124 :LDV 1k3rA 229 :ADI T0332 129 :EIPQQGI 1k3rA 232 :WVNTLPG T0332 136 :IR 1k3rA 244 :VR T0332 141 :VHVSGALLIWEYTRQ 1k3rA 246 :TEEAVLATLSVFNML Number of specific fragments extracted= 10 number of extra gaps= 0 total=263 Number of alignments=29 # 1k3rA read from 1k3rA/merged-good-all-a2m # found chain 1k3rA in template set T0332 4 :SISRLIVVASL 1k3rA 2 :NRVDLSLFIPD T0332 15 :IDK 1k3rA 18 :TGD T0332 21 :LGGLCRTCEVFGASVLVVGSLQCISDKQFQHL 1k3rA 28 :VVLIARAASIFGVKRIVIYHDDADGEARFIRD T0332 73 :YLQQK 1k3rA 60 :ILTYM T0332 80 :EGYTIIGVE 1k3rA 181 :VGADVVVAT T0332 90 :TAKSLDLTQY 1k3rA 190 :SRNASPITSI T0332 100 :CFPEKSLLLLGNEREGIPA 1k3rA 208 :RGAREAAILFGGPYKGLPE T0332 124 :LDVCVEIPQQG 1k3rA 227 :IDADIWVNTLP T0332 135 :IIRSLNVHVSGALLIW 1k3rA 243 :TVRTEEAVLATLSVFN Number of specific fragments extracted= 9 number of extra gaps= 0 total=272 Number of alignments=30 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1gci/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0332 read from 1gci/merged-good-all-a2m # 1gci read from 1gci/merged-good-all-a2m # found chain 1gci in training set T0332 7 :RLIVVASLID 1gci 89 :ELYAVKVLGA T0332 17 :KPTNLGGLCRTCEVFGASVLVVGSLQCIS 1gci 103 :SVSSIAQGLEWAGNNGMHVANLSLGSPSP T0332 67 :PPQLIDYLQQKKTEGYTIIGVEQTAKSLDLTQYCFPEKSLLLLG 1gci 132 :SATLEQAVNSATSRGVLVVAASGNSGAGSISYPARYANAMAVGA T0332 111 :NEREGI 1gci 191 :QYGAGL T0332 127 :CVEIPQQG 1gci 197 :DIVAPGVN T0332 136 :IRSLNVHVSGALLIWEYTRQQ 1gci 217 :LNGTSMATPHVAGAAALVKQK Number of specific fragments extracted= 6 number of extra gaps= 0 total=278 Number of alignments=31 # 1gci read from 1gci/merged-good-all-a2m # found chain 1gci in training set T0332 7 :RLIVVASLID 1gci 89 :ELYAVKVLGA T0332 17 :KPTNLGGLCRTCEVFGASVLVVGSLQCIS 1gci 103 :SVSSIAQGLEWAGNNGMHVANLSLGSPSP T0332 67 :PPQLIDYLQQKKTEGYTIIGVEQTAKSLDLTQYCFPEKSLLLLG 1gci 132 :SATLEQAVNSATSRGVLVVAASGNSGAGSISYPARYANAMAVGA T0332 111 :NEREG 1gci 191 :QYGAG T0332 126 :VCVEIPQQGI 1gci 196 :LDIVAPGVNV T0332 136 :IRSLNVHVSGALLIWEY 1gci 220 :TSMATPHVAGAAALVKQ Number of specific fragments extracted= 6 number of extra gaps= 0 total=284 Number of alignments=32 # 1gci read from 1gci/merged-good-all-a2m # found chain 1gci in training set T0332 5 :ISRLIVVASLIDKPT 1gci 87 :SAELYAVKVLGASGS T0332 21 :LGGLCRTCEVFGASVLVVGSLQCISDK 1gci 107 :IAQGLEWAGNNGMHVANLSLGSPSPSA T0332 51 :H 1gci 134 :T T0332 70 :LIDYLQQKKTEGYTIIGVEQTAKSLDLTQYCFPEKSLLLLG 1gci 135 :LEQAVNSATSRGVLVVAASGNSGAGSISYPARYANAMAVGA T0332 111 :NEREGI 1gci 191 :QYGAGL T0332 127 :CVEIPQQG 1gci 197 :DIVAPGVN T0332 135 :IIRSLNVHVSGALLIWEYTRQQ 1gci 216 :SLNGTSMATPHVAGAAALVKQK Number of specific fragments extracted= 7 number of extra gaps= 0 total=291 Number of alignments=33 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1x7oA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1x7oA expands to /projects/compbio/data/pdb/1x7o.pdb.gz 1x7oA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0332 read from 1x7oA/merged-good-all-a2m # 1x7oA read from 1x7oA/merged-good-all-a2m # adding 1x7oA to template set # found chain 1x7oA in template set T0332 1 :LGKSISRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQC 1x7oA 120 :IPVREDFLGVLFDRPTSPGNIGSIIRSADALGAHGLIVAGHAA T0332 44 :ISDKQFQHLSVSAEQWLPLVEVK 1x7oA 164 :VYDPKSVRSSTGSLFSLPAVRVP T0332 67 :PPQLIDYLQQKKTEG 1x7oA 188 :PGEVMDWVEARRAAG T0332 82 :YTIIGVE 1x7oA 205 :IVLVGTD T0332 90 :TAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQLDVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQLL 1x7oA 212 :EHGDCDVFDFDFTQPTLLLIGNETAGLSNAWRTLCDYTVSIPMAGSASSLNAANAATAILYEAVRQRIS Number of specific fragments extracted= 5 number of extra gaps= 0 total=296 Number of alignments=34 # 1x7oA read from 1x7oA/merged-good-all-a2m # found chain 1x7oA in template set T0332 2 :GKSISRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQCIS 1x7oA 121 :PVREDFLGVLFDRPTSPGNIGSIIRSADALGAHGLIVAGHAADV T0332 46 :DKQFQHLSVSAEQWLPLVEVK 1x7oA 166 :DPKSVRSSTGSLFSLPAVRVP T0332 67 :PPQLIDYLQQKKTEG 1x7oA 188 :PGEVMDWVEARRAAG T0332 82 :YTIIGVE 1x7oA 205 :IVLVGTD T0332 90 :TAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQLDVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQLLS 1x7oA 212 :EHGDCDVFDFDFTQPTLLLIGNETAGLSNAWRTLCDYTVSIPMAGSASSLNAANAATAILYEAVRQRISG Number of specific fragments extracted= 5 number of extra gaps= 0 total=301 Number of alignments=35 # 1x7oA read from 1x7oA/merged-good-all-a2m # found chain 1x7oA in template set T0332 2 :GKSISRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQCISDKQFQHL 1x7oA 121 :PVREDFLGVLFDRPTSPGNIGSIIRSADALGAHGLIVAGHAADVYDPKSVR T0332 54 :VSAEQWLPLVEVKPPQ 1x7oA 172 :SSTGSLFSLPAVRVPS T0332 70 :LIDYLQQKKTEG 1x7oA 191 :VMDWVEARRAAG T0332 82 :YTIIGVE 1x7oA 205 :IVLVGTD T0332 90 :TAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQLDVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQ 1x7oA 212 :EHGDCDVFDFDFTQPTLLLIGNETAGLSNAWRTLCDYTVSIPMAGSASSLNAANAATAILYEAVRQR Number of specific fragments extracted= 5 number of extra gaps= 0 total=306 Number of alignments=36 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1gz0A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1gz0A expands to /projects/compbio/data/pdb/1gz0.pdb.gz 1gz0A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0332 read from 1gz0A/merged-good-all-a2m # 1gz0A read from 1gz0A/merged-good-all-a2m # adding 1gz0A to template set # found chain 1gz0A in template set T0332 6 :SRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQC 1gz0A 94 :QPFLLILDGVTDPHNLGACLRSADAAGVHAVIVPKDRS T0332 44 :ISDKQFQHLSVSAEQWLPLVEVK 1gz0A 133 :QLNATAKKVACGAAESVPLIRVT T0332 69 :QLIDYLQQKKTEGYTIIGVE 1gz0A 156 :NLARTMRMLQEENIWIVGTA T0332 90 :TAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQLDVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQ 1gz0A 176 :GEADHTLYQSKMTGRLALVMGAEGEGMRRLTREHCDELISIPMAGSVSSLNVSVATGICLFEAVRQR Number of specific fragments extracted= 4 number of extra gaps= 0 total=310 Number of alignments=37 # 1gz0A read from 1gz0A/merged-good-all-a2m # found chain 1gz0A in template set T0332 6 :SRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQCIS 1gz0A 94 :QPFLLILDGVTDPHNLGACLRSADAAGVHAVIVPKDRSAQ T0332 46 :DKQFQHLSVSAEQWLPLVEVK 1gz0A 135 :NATAKKVACGAAESVPLIRVT T0332 69 :QLIDYLQQKKTEGYTIIGVE 1gz0A 156 :NLARTMRMLQEENIWIVGTA T0332 90 :TAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQLDVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQ 1gz0A 176 :GEADHTLYQSKMTGRLALVMGAEGEGMRRLTREHCDELISIPMAGSVSSLNVSVATGICLFEAVRQR Number of specific fragments extracted= 4 number of extra gaps= 0 total=314 Number of alignments=38 # 1gz0A read from 1gz0A/merged-good-all-a2m # found chain 1gz0A in template set T0332 5 :ISRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQCISDKQFQHL 1gz0A 93 :DQPFLLILDGVTDPHNLGACLRSADAAGVHAVIVPKDRSAQLNATAKK T0332 54 :VSAEQWLPLVEVKPPQLIDYLQQKKTEGYTIIGVE 1gz0A 141 :VACGAAESVPLIRVTNLARTMRMLQEENIWIVGTA T0332 90 :TAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQLDVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQ 1gz0A 176 :GEADHTLYQSKMTGRLALVMGAEGEGMRRLTREHCDELISIPMAGSVSSLNVSVATGICLFEAVRQR Number of specific fragments extracted= 3 number of extra gaps= 0 total=317 Number of alignments=39 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1d2nA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0332 read from 1d2nA/merged-good-all-a2m # 1d2nA read from 1d2nA/merged-good-all-a2m # found chain 1d2nA in training set T0332 2 :GKSISRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQC 1d2nA 539 :SDRTPLVSVLLEGPPHSGKTALAAKIAEESNFPFIKICSPDK T0332 44 :ISDKQFQH 1d2nA 584 :FSETAKCQ T0332 69 :QLIDYLQQKKTEGYTIIGVE 1d2nA 592 :AMKKIFDDAYKSQLSCVVVD T0332 89 :QTAKSLD 1d2nA 619 :YVPIGPR T0332 96 :LTQYCFPEKSLLLLGNER 1d2nA 638 :LKKAPPQGRKLLIIGTTS T0332 117 :PANLIQ 1d2nA 656 :RKDVLQ T0332 123 :QLDVCVEIPQQGIIR 1d2nA 668 :AFSTTIHVPNIATGE T0332 148 :LIWEYTRQQLL 1d2nA 683 :QLLEALELLGN Number of specific fragments extracted= 8 number of extra gaps= 0 total=325 Number of alignments=40 # 1d2nA read from 1d2nA/merged-good-all-a2m # found chain 1d2nA in training set T0332 2 :GKSISRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQCIS 1d2nA 539 :SDRTPLVSVLLEGPPHSGKTALAAKIAEESNFPFIKICSPDKMI T0332 46 :DKQFQH 1d2nA 586 :ETAKCQ T0332 69 :QLIDYLQQKKTEGYTIIGVE 1d2nA 592 :AMKKIFDDAYKSQLSCVVVD T0332 89 :QTAKSLDLTQ 1d2nA 619 :YVPIGPRFSN T0332 99 :YCFPEKSLLLLGNER 1d2nA 641 :APPQGRKLLIIGTTS T0332 117 :PANLIQ 1d2nA 656 :RKDVLQ T0332 123 :QLDVCVEIPQQGIIR 1d2nA 668 :AFSTTIHVPNIATGE T0332 148 :LIWEYTRQQLL 1d2nA 683 :QLLEALELLGN Number of specific fragments extracted= 8 number of extra gaps= 0 total=333 Number of alignments=41 # 1d2nA read from 1d2nA/merged-good-all-a2m # found chain 1d2nA in training set T0332 3 :KSISRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQCISDKQFQHLSVS 1d2nA 540 :DRTPLVSVLLEGPPHSGKTALAAKIAEESNFPFIKICSPDKMIGFSETAKCQA T0332 70 :LIDYLQQKKTEGYTIIGVEQ 1d2nA 593 :MKKIFDDAYKSQLSCVVVDD T0332 90 :TAKS 1d2nA 620 :VPIG T0332 96 :LTQYCFPEKSLLLLGNER 1d2nA 638 :LKKAPPQGRKLLIIGTTS T0332 117 :PANLIQ 1d2nA 656 :RKDVLQ T0332 123 :QLDVCVEIPQ 1d2nA 668 :AFSTTIHVPN Number of specific fragments extracted= 6 number of extra gaps= 0 total=339 Number of alignments=42 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1nxzA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1nxzA expands to /projects/compbio/data/pdb/1nxz.pdb.gz 1nxzA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0332 read from 1nxzA/merged-good-all-a2m # 1nxzA read from 1nxzA/merged-good-all-a2m # adding 1nxzA to template set # found chain 1nxzA in template set T0332 6 :SRLIVVASLIDKPTNLGGLCR 1nxzA 78 :LKIHLGQVISRGERMEFTIQK T0332 28 :CEVFGASVLV 1nxzA 99 :SVELGVNVIT T0332 38 :VGSLQC 1nxzA 110 :LWSERC T0332 44 :ISDKQFQHLSVSAEQ 1nxzA 119 :LDAERMDKKIQQWQK T0332 59 :WLPLVEVK 1nxzA 147 :VPEIRPLM T0332 69 :QLIDYLQ 1nxzA 155 :KLQDWCA T0332 78 :KTEGYTIIGVE 1nxzA 162 :ENDGALKLNLH T0332 90 :TAKSLDLTQY 1nxzA 173 :PRAHYSIKTL T0332 100 :CF 1nxzA 184 :TI T0332 102 :PEKSLLLLGNER 1nxzA 187 :AGGVRLLIGSEG T0332 115 :GIPANLIQQLDV 1nxzA 199 :GLSAQEIAQTEQ T0332 128 :VEIPQQGI 1nxzA 214 :TEILLGKR T0332 136 :IRSLNVHVSGALLI 1nxzA 223 :LRTETASLAAISAL T0332 153 :TRQ 1nxzA 237 :QIC Number of specific fragments extracted= 14 number of extra gaps= 0 total=353 Number of alignments=43 # 1nxzA read from 1nxzA/merged-good-all-a2m # found chain 1nxzA in template set T0332 5 :ISRLIVVASLIDKPTNLGGLCRTCE 1nxzA 77 :HLKIHLGQVISRGERMEFTIQKSVE T0332 31 :FGASVLVVGSLQ 1nxzA 102 :LGVNVITPLWSE T0332 43 :CIS 1nxzA 115 :CGV T0332 46 :DKQ 1nxzA 120 :DAE T0332 49 :FQHLSVSAEQW 1nxzA 124 :MDKKIQQWQKI T0332 60 :LPLVEVK 1nxzA 148 :PEIRPLM T0332 69 :QLIDYLQ 1nxzA 155 :KLQDWCA T0332 78 :KTEGYTIIGVE 1nxzA 162 :ENDGALKLNLH T0332 90 :TAKSLDLTQYC 1nxzA 173 :PRAHYSIKTLP T0332 101 :F 1nxzA 185 :I T0332 102 :PEKSLLLLGNER 1nxzA 187 :AGGVRLLIGSEG T0332 115 :GIPANLIQQL 1nxzA 199 :GLSAQEIAQT T0332 126 :V 1nxzA 214 :T T0332 129 :EIPQQGI 1nxzA 215 :EILLGKR T0332 136 :IRSLNVHVSGALLIWEY 1nxzA 223 :LRTETASLAAISALQIC Number of specific fragments extracted= 15 number of extra gaps= 0 total=368 Number of alignments=44 # 1nxzA read from 1nxzA/merged-good-all-a2m # found chain 1nxzA in template set T0332 3 :KSISRLIVVASLIDKPT 1nxzA 75 :ESHLKIHLGQVISRGER T0332 23 :GLCRTCEVFGASVLVVGS 1nxzA 94 :FTIQKSVELGVNVITPLW T0332 41 :LQCISDKQFQHL 1nxzA 115 :CGVKLDAERMDK T0332 53 :SVSAEQWLPLVEVKPPQLIDYLQQ 1nxzA 139 :CEQCGRNIVPEIRPLMKLQDWCAE T0332 79 :TEGYTIIGVE 1nxzA 163 :NDGALKLNLH T0332 90 :TAKSLDLTQY 1nxzA 173 :PRAHYSIKTL T0332 102 :PEKSLLLLGNER 1nxzA 187 :AGGVRLLIGSEG T0332 115 :GIPANLIQQL 1nxzA 199 :GLSAQEIAQT T0332 125 :DVCVEIPQQG 1nxzA 211 :QGFTEILLGK T0332 135 :IIRSLNVHVSGALLIWEY 1nxzA 222 :VLRTETASLAAISALQIC Number of specific fragments extracted= 10 number of extra gaps= 0 total=378 Number of alignments=45 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1h1yA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1h1yA expands to /projects/compbio/data/pdb/1h1y.pdb.gz 1h1yA:# T0332 read from 1h1yA/merged-good-all-a2m # 1h1yA read from 1h1yA/merged-good-all-a2m # adding 1h1yA to template set # found chain 1h1yA in template set T0332 6 :SRLIVVASLIDKPTN 1h1yA 63 :KAYLDCHLMVTNPSD T0332 28 :CEVFGASVLVVG 1h1yA 82 :LAKAGASGFTFH T0332 57 :EQWL 1h1yA 94 :IEVS T0332 67 :PPQLIDYLQQKKTEGYTIIGVEQ 1h1yA 98 :RDNWQELIQSIKAKGMRPGVSLR T0332 92 :KSLDLTQY 1h1yA 121 :PGTPVEEV T0332 100 :CFPE 1h1yA 133 :EAEN T0332 104 :KSLLLL 1h1yA 139 :ELVLVM Number of specific fragments extracted= 7 number of extra gaps= 0 total=385 Number of alignments=46 # 1h1yA read from 1h1yA/merged-good-all-a2m # found chain 1h1yA in template set T0332 6 :SRL 1h1yA 64 :AYL T0332 10 :VVASLIDKPTN 1h1yA 67 :DCHLMVTNPSD T0332 21 :LGG 1h1yA 79 :VEP T0332 28 :CEVFGASVLVVG 1h1yA 82 :LAKAGASGFTFH T0332 57 :EQWL 1h1yA 94 :IEVS T0332 67 :PPQLIDYLQQKKTEGYTIIGVEQ 1h1yA 98 :RDNWQELIQSIKAKGMRPGVSLR T0332 92 :KSLDLTQ 1h1yA 121 :PGTPVEE T0332 100 :CFPEKSLLLLGNEREGIPANLIQQ 1h1yA 169 :KYPSLDIEVDGGLGPSTIDVAASA T0332 124 :LDVCV 1h1yA 194 :ANCIV Number of specific fragments extracted= 9 number of extra gaps= 0 total=394 Number of alignments=47 # 1h1yA read from 1h1yA/merged-good-all-a2m # found chain 1h1yA in template set T0332 4 :SISRLIVVAS 1h1yA 62 :TKAYLDCHLM T0332 15 :IDKPT 1h1yA 72 :VTNPS T0332 27 :TCEVFGASVLVVGSLQCI 1h1yA 81 :PLAKAGASGFTFHIEVSR T0332 68 :PQLIDYLQQKKTEGYTIIGVEQTA 1h1yA 99 :DNWQELIQSIKAKGMRPGVSLRPG T0332 94 :LDLTQY 1h1yA 123 :TPVEEV T0332 100 :CFPE 1h1yA 133 :EAEN T0332 104 :KSLLLLG 1h1yA 139 :ELVLVMT Number of specific fragments extracted= 7 number of extra gaps= 0 total=401 Number of alignments=48 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1v2xA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0332 read from 1v2xA/merged-good-all-a2m # 1v2xA read from 1v2xA/merged-good-all-a2m # found chain 1v2xA in training set T0332 5 :ISRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQC 1v2xA 20 :QPDLTVLLENVHKPHNLSAILRTCDAVGVLEAHAVNPTG T0332 44 :ISD 1v2xA 60 :VPT T0332 52 :LSVSAEQWLPLVEVK 1v2xA 66 :TSGGSHKWVYLRVHP T0332 69 :QLIDYLQQKKTEGYTIIGVEQTAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQLDVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQL 1v2xA 81 :DLHEAFRFLKERGFTVYATALREDARDFREVDYTKPTAVLFGAEKWGVSEEALALADGAIKIPMLGMVQSLNVSVAAAVILFEAQRQRL Number of specific fragments extracted= 4 number of extra gaps= 0 total=405 Number of alignments=49 # 1v2xA read from 1v2xA/merged-good-all-a2m # found chain 1v2xA in training set T0332 5 :ISRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQ 1v2xA 20 :QPDLTVLLENVHKPHNLSAILRTCDAVGVLEAHAVNPT T0332 43 :CISDK 1v2xA 61 :PTFNE T0332 52 :LSVSAEQWLPLVEVK 1v2xA 66 :TSGGSHKWVYLRVHP T0332 69 :QLIDYLQQKKTEGYTIIGVEQTAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQLDVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQL 1v2xA 81 :DLHEAFRFLKERGFTVYATALREDARDFREVDYTKPTAVLFGAEKWGVSEEALALADGAIKIPMLGMVQSLNVSVAAAVILFEAQRQRL Number of specific fragments extracted= 4 number of extra gaps= 0 total=409 Number of alignments=50 # 1v2xA read from 1v2xA/merged-good-all-a2m # found chain 1v2xA in training set T0332 2 :GKSISRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQCISDK 1v2xA 17 :RRRQPDLTVLLENVHKPHNLSAILRTCDAVGVLEAHAVNPTGGVPT T0332 51 :HL 1v2xA 64 :NE T0332 54 :VSAEQWLPLVEVKPPQLIDYLQQKKTEGYTIIGVEQTAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQLDVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQ 1v2xA 66 :TSGGSHKWVYLRVHPDLHEAFRFLKERGFTVYATALREDARDFREVDYTKPTAVLFGAEKWGVSEEALALADGAIKIPMLGMVQSLNVSVAAAVILFEAQRQR Number of specific fragments extracted= 3 number of extra gaps= 0 total=412 Number of alignments=51 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ipaA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ipaA expands to /projects/compbio/data/pdb/1ipa.pdb.gz 1ipaA:# T0332 read from 1ipaA/merged-good-all-a2m # 1ipaA read from 1ipaA/merged-good-all-a2m # adding 1ipaA to template set # found chain 1ipaA in template set Warning: unaligning (T0332)L158 because last residue in template chain is (1ipaA)L263 T0332 3 :KSISRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQCISDKQFQHLSVSAEQWLPLVEVKPPQLIDYLQ 1ipaA 112 :PSPDALILVAVGLEKPGNLGAVLRSADAAGAEAVLVAGGVDLYSPQVIRNSTGVVFSLRTLAASESEVLDWIK T0332 79 :TEGYTIIGVE 1ipaA 185 :QHNLPLVATT T0332 90 :TAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQLDVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQL 1ipaA 195 :PHAEALYWEANLRPPVAIAVGPEHEGLRAAWLEAAQTQVRIPMQGQADSLNVSVSAALLLYEALRQRL Number of specific fragments extracted= 3 number of extra gaps= 0 total=415 Number of alignments=52 # 1ipaA read from 1ipaA/merged-good-all-a2m # found chain 1ipaA in template set Warning: unaligning (T0332)L158 because last residue in template chain is (1ipaA)L263 T0332 2 :GKSISRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQCISDKQFQHLSVSAEQWLPLVEVKPPQLIDYL 1ipaA 111 :RPSPDALILVAVGLEKPGNLGAVLRSADAAGAEAVLVAGGVDLYSPQVIRNSTGVVFSLRTLAASESEVLDWI T0332 78 :KTEGYTIIGVE 1ipaA 184 :KQHNLPLVATT T0332 90 :TAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQLDVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQL 1ipaA 195 :PHAEALYWEANLRPPVAIAVGPEHEGLRAAWLEAAQTQVRIPMQGQADSLNVSVSAALLLYEALRQRL Number of specific fragments extracted= 3 number of extra gaps= 0 total=418 Number of alignments=53 # 1ipaA read from 1ipaA/merged-good-all-a2m # found chain 1ipaA in template set Warning: unaligning (T0332)L158 because last residue in template chain is (1ipaA)L263 T0332 3 :KSISRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGS 1ipaA 112 :PSPDALILVAVGLEKPGNLGAVLRSADAAGAEAVLVAG T0332 42 :QCISDKQFQHL 1ipaA 150 :GVDLYSPQVIR T0332 54 :VSAEQWLPLVEVKP 1ipaA 161 :NSTGVVFSLRTLAA T0332 69 :QLIDYLQQKKTEGYTIIGVE 1ipaA 175 :SESEVLDWIKQHNLPLVATT T0332 90 :TAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQLDVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQL 1ipaA 195 :PHAEALYWEANLRPPVAIAVGPEHEGLRAAWLEAAQTQVRIPMQGQADSLNVSVSAALLLYEALRQRL Number of specific fragments extracted= 5 number of extra gaps= 0 total=423 Number of alignments=54 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2aq8A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2aq8A expands to /projects/compbio/data/pdb/2aq8.pdb.gz 2aq8A:# T0332 read from 2aq8A/merged-good-all-a2m # 2aq8A read from 2aq8A/merged-good-all-a2m # adding 2aq8A to template set # found chain 2aq8A in template set Warning: unaligning (T0332)V35 because of BadResidue code BAD_PEPTIDE in next template residue (2aq8A)V37 Warning: unaligning (T0332)L36 because of BadResidue code BAD_PEPTIDE at template residue (2aq8A)V37 T0332 7 :RLIVVASLIDKPTNLG 2aq8A 7 :GKRILVSGIITDSSIA T0332 23 :GLCRTCEVFGAS 2aq8A 24 :HIARVAQEQGAQ T0332 37 :VVGSLQ 2aq8A 38 :LTGFDR T0332 46 :DKQFQHLSVSAEQWLPLVEVK 2aq8A 44 :LRLIQRITDRLPAKAPLLELD T0332 67 :PPQLIDYLQQKKTEGYTIIGV 2aq8A 71 :LASLAGRVTEAIGAGNKLDGV T0332 88 :EQTAKS 2aq8A 97 :FMPQTG T0332 94 :LDLTQY 2aq8A 106 :NPFFDA T0332 102 :P 2aq8A 112 :P T0332 103 :EKSLLLLGN 2aq8A 141 :GGSIVGMDF T0332 131 :PQQGIIRSLNVHVSGALLIWEYTRQ 2aq8A 150 :DPSRAMPAYNWMTVAKSALESVNRF Number of specific fragments extracted= 10 number of extra gaps= 1 total=433 Number of alignments=55 # 2aq8A read from 2aq8A/merged-good-all-a2m # found chain 2aq8A in template set Warning: unaligning (T0332)V35 because of BadResidue code BAD_PEPTIDE in next template residue (2aq8A)V37 Warning: unaligning (T0332)L36 because of BadResidue code BAD_PEPTIDE at template residue (2aq8A)V37 T0332 7 :RLIVVASLIDKPTNLG 2aq8A 7 :GKRILVSGIITDSSIA T0332 23 :GLCRTCEVFGAS 2aq8A 24 :HIARVAQEQGAQ T0332 37 :VVG 2aq8A 38 :LTG T0332 43 :CISDKQFQHLSVSAEQWLPLVEVK 2aq8A 41 :FDRLRLIQRITDRLPAKAPLLELD T0332 68 :PQLIDYLQQKKTEGYTIIGV 2aq8A 72 :ASLAGRVTEAIGAGNKLDGV T0332 88 :EQTAKS 2aq8A 97 :FMPQTG T0332 94 :LDLTQ 2aq8A 106 :NPFFD T0332 99 :YCFPEKSLLLLGN 2aq8A 137 :IMNPGGSIVGMDF T0332 131 :PQQGIIRSLNVHVSGALLIWEYTRQ 2aq8A 150 :DPSRAMPAYNWMTVAKSALESVNRF Number of specific fragments extracted= 9 number of extra gaps= 1 total=442 Number of alignments=56 # 2aq8A read from 2aq8A/merged-good-all-a2m # found chain 2aq8A in template set Warning: unaligning (T0332)V35 because of BadResidue code BAD_PEPTIDE in next template residue (2aq8A)V37 Warning: unaligning (T0332)L36 because of BadResidue code BAD_PEPTIDE at template residue (2aq8A)V37 T0332 7 :RLIVVASLIDKPTNLG 2aq8A 7 :GKRILVSGIITDSSIA T0332 23 :GLCRTCEVFGAS 2aq8A 24 :HIARVAQEQGAQ T0332 37 :VVGS 2aq8A 38 :LTGF T0332 45 :SDKQFQHL 2aq8A 42 :DRLRLIQR T0332 54 :VSAEQWLPLVEVKPP 2aq8A 50 :ITDRLPAKAPLLELD T0332 70 :LIDYLQQKKTEGYTIIGVEQ 2aq8A 74 :LAGRVTEAIGAGNKLDGVVH T0332 90 :TAKS 2aq8A 99 :PQTG T0332 94 :LDLTQYCF 2aq8A 106 :NPFFDAPY T0332 102 :PEKSLLLLGN 2aq8A 140 :PGGSIVGMDF T0332 131 :PQQGIIRSLNVHVSGALLIWEYTR 2aq8A 150 :DPSRAMPAYNWMTVAKSALESVNR Number of specific fragments extracted= 10 number of extra gaps= 1 total=452 Number of alignments=57 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1zjrA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1zjrA expands to /projects/compbio/data/pdb/1zjr.pdb.gz 1zjrA:# T0332 read from 1zjrA/merged-good-all-a2m # 1zjrA read from 1zjrA/merged-good-all-a2m # adding 1zjrA to template set # found chain 1zjrA in template set T0332 6 :SRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSL 1zjrA 24 :KDLIVFADNVKNEHNFSAIVRTCDAVGVLYLYYYHA T0332 42 :QC 1zjrA 63 :KA T0332 44 :ISDKQ 1zjrA 66 :INEGI T0332 53 :SVSAEQWLPLVEVK 1zjrA 71 :TQGSHKWVFIEKVD T0332 69 :QLIDYLQQKKTEGYTIIGVEQTAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQLDVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQL 1zjrA 85 :NPVQKLLEFKNRGFQIVATWLSKESVNFREVDYTKPTVLVVGNELQGVSPEIVEIADKKIVIPMYGMAQSLNVSVATGIILYEAQRQRE Number of specific fragments extracted= 5 number of extra gaps= 0 total=457 Number of alignments=58 # 1zjrA read from 1zjrA/merged-good-all-a2m # found chain 1zjrA in template set T0332 6 :SRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVG 1zjrA 24 :KDLIVFADNVKNEHNFSAIVRTCDAVGVLYLYYY T0332 40 :SLQCISDKQ 1zjrA 61 :GKKAKINEG T0332 52 :LSVSAEQWLPLVEVK 1zjrA 70 :ITQGSHKWVFIEKVD T0332 69 :QLIDYLQQKKTEGYTIIGVEQTAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQLDVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQL 1zjrA 85 :NPVQKLLEFKNRGFQIVATWLSKESVNFREVDYTKPTVLVVGNELQGVSPEIVEIADKKIVIPMYGMAQSLNVSVATGIILYEAQRQRE Number of specific fragments extracted= 4 number of extra gaps= 0 total=461 Number of alignments=59 # 1zjrA read from 1zjrA/merged-good-all-a2m # found chain 1zjrA in template set T0332 2 :GKSISRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVG 1zjrA 20 :EKRQKDLIVFADNVKNEHNFSAIVRTCDAVGVLYLYYY T0332 40 :SLQCISDKQ 1zjrA 61 :GKKAKINEG T0332 54 :VSAEQWLPLVEVKPPQLIDYLQQKKTEGYTIIGVEQTAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQLDVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQ 1zjrA 70 :ITQGSHKWVFIEKVDNPVQKLLEFKNRGFQIVATWLSKESVNFREVDYTKPTVLVVGNELQGVSPEIVEIADKKIVIPMYGMAQSLNVSVATGIILYEAQRQR Number of specific fragments extracted= 3 number of extra gaps= 0 total=464 Number of alignments=60 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1dbiA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1dbiA expands to /projects/compbio/data/pdb/1dbi.pdb.gz 1dbiA:Skipped atom 258, because occupancy 1.000 <= existing 1.000 in 1dbiA Skipped atom 1059, because occupancy 1.000 <= existing 1.000 in 1dbiA Skipped atom 1061, because occupancy 1.000 <= existing 1.000 in 1dbiA Skipped atom 1591, because occupancy 1.000 <= existing 1.000 in 1dbiA Skipped atom 1673, because occupancy 1.000 <= existing 1.000 in 1dbiA Skipped atom 1675, because occupancy 1.000 <= existing 1.000 in 1dbiA Skipped atom 1677, because occupancy 1.000 <= existing 1.000 in 1dbiA Skipped atom 1702, because occupancy 1.000 <= existing 1.000 in 1dbiA Skipped atom 1704, because occupancy 1.000 <= existing 1.000 in 1dbiA Skipped atom 1706, because occupancy 1.000 <= existing 1.000 in 1dbiA # T0332 read from 1dbiA/merged-good-all-a2m # 1dbiA read from 1dbiA/merged-good-all-a2m # adding 1dbiA to template set # found chain 1dbiA in template set Warning: unaligning (T0332)A91 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1dbiA)S175 Warning: unaligning (T0332)F101 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1dbiA)S175 T0332 6 :SRLIVVASLIDKP 1dbiA 95 :PNTRILAVRALDR T0332 19 :TNLGGLCRTCEVFGASVLVVGSLQCISDK 1dbiA 114 :SDIADAIIYAADSGAEVINLSLGCDCHTT T0332 69 :QLIDYLQQKKTEGYTIIGVEQT 1dbiA 143 :TLENAVNYAWNKGSVVVAAAGN T0332 102 :PEKSLLLLG 1dbiA 176 :YENVIAVGA T0332 111 :NEREGIPA 1dbiA 186 :DQYDRLAS T0332 123 :QLDV 1dbiA 194 :FSNY T0332 127 :CVEIPQQG 1dbiA 202 :DVVAPGVD T0332 136 :IRSLNVHVSGALLIWEYTRQQLLS 1dbiA 222 :MSGTSMASPHVAGLAALLASQGRN Number of specific fragments extracted= 8 number of extra gaps= 0 total=472 Number of alignments=61 # 1dbiA read from 1dbiA/merged-good-all-a2m # found chain 1dbiA in template set Warning: unaligning (T0332)A91 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1dbiA)S175 Warning: unaligning (T0332)F101 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1dbiA)S175 T0332 6 :SRLIVVASLIDKPT 1dbiA 95 :PNTRILAVRALDRN T0332 20 :NLGGLCRTCEVFGASVLVVGSLQCIS 1dbiA 115 :DIADAIIYAADSGAEVINLSLGCDCH T0332 67 :PPQLIDYLQQKKTEGYTIIGVEQT 1dbiA 141 :TTTLENAVNYAWNKGSVVVAAAGN T0332 102 :PEKSLLLLGNEREG 1dbiA 176 :YENVIAVGAVDQYD T0332 116 :IPA 1dbiA 191 :LAS T0332 123 :QLDV 1dbiA 194 :FSNY T0332 127 :CVEIPQQGI 1dbiA 202 :DVVAPGVDI T0332 136 :IRSLNVHVSGALLIWEYTRQQLL 1dbiA 222 :MSGTSMASPHVAGLAALLASQGR Number of specific fragments extracted= 8 number of extra gaps= 0 total=480 Number of alignments=62 # 1dbiA read from 1dbiA/merged-good-all-a2m # found chain 1dbiA in template set Warning: unaligning (T0332)A91 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1dbiA)S175 Warning: unaligning (T0332)C100 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1dbiA)S175 T0332 6 :SRLIVVASLIDKPT 1dbiA 95 :PNTRILAVRALDRN T0332 20 :NLGGLCRTCEVFGASVLVVGSLQCISDKQ 1dbiA 115 :DIADAIIYAADSGAEVINLSLGCDCHTTT T0332 70 :LIDYLQQKKTEGYTIIGVEQT 1dbiA 144 :LENAVNYAWNKGSVVVAAAGN T0332 101 :FPEKSLLLLGNEREGIPA 1dbiA 176 :YENVIAVGAVDQYDRLAS T0332 123 :QLDV 1dbiA 194 :FSNY T0332 127 :CVEIPQQG 1dbiA 202 :DVVAPGVD T0332 135 :IIRSLNVHVSGALLIWEYTRQQLLS 1dbiA 221 :YMSGTSMASPHVAGLAALLASQGRN Number of specific fragments extracted= 7 number of extra gaps= 0 total=487 Number of alignments=63 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vhyA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1vhyA expands to /projects/compbio/data/pdb/1vhy.pdb.gz 1vhyA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 679, because occupancy 0.350 <= existing 0.650 in 1vhyA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 681, because occupancy 0.350 <= existing 0.650 in 1vhyA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 683, because occupancy 0.350 <= existing 0.650 in 1vhyA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 685, because occupancy 0.350 <= existing 0.650 in 1vhyA Skipped atom 778, because occupancy 0.350 <= existing 0.650 in 1vhyA Skipped atom 780, because occupancy 0.350 <= existing 0.650 in 1vhyA Skipped atom 782, because occupancy 0.350 <= existing 0.650 in 1vhyA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 1831, because occupancy 0.350 <= existing 0.650 in 1vhyA Skipped atom 1833, because occupancy 0.350 <= existing 0.650 in 1vhyA Skipped atom 1835, because occupancy 0.350 <= existing 0.650 in 1vhyA Skipped atom 1837, because occupancy 0.350 <= existing 0.650 in 1vhyA Skipped atom 1839, because occupancy 0.350 <= existing 0.650 in 1vhyA # T0332 read from 1vhyA/merged-good-all-a2m # 1vhyA read from 1vhyA/merged-good-all-a2m # adding 1vhyA to template set # found chain 1vhyA in template set Warning: unaligning (T0332)L14 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vhyA)R91 Warning: unaligning (T0332)T19 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vhyA)R91 T0332 6 :SRLIVVAS 1vhyA 78 :LKIHLGQV T0332 20 :NLGGLC 1vhyA 92 :MEFTIQ T0332 27 :TCEVFGASVLVVGSL 1vhyA 98 :KSVELGVNVITPLWS T0332 42 :QC 1vhyA 114 :RC T0332 44 :ISDKQF 1vhyA 119 :LDAERM T0332 50 :QHLSVSAE 1vhyA 132 :QKIAIAAC T0332 58 :QWLPLVEVK 1vhyA 146 :IVPEIRPLM T0332 69 :QLIDYLQ 1vhyA 155 :KLQDWCA T0332 78 :KTEGYTIIGVE 1vhyA 162 :ENDGALKLNLH T0332 90 :TAKSLDLTQY 1vhyA 173 :PRAHYSIKTL T0332 100 :CFPEKSLLLLGNE 1vhyA 185 :IPAGGVRLLIGSE T0332 114 :EGIPANLIQQL 1vhyA 198 :GGLSAQEIAQT T0332 128 :VEIPQQGI 1vhyA 214 :TEILLGKR T0332 136 :IRSLNVHVSGALLIWE 1vhyA 223 :LRTETASLAAISALQI Number of specific fragments extracted= 14 number of extra gaps= 0 total=501 Number of alignments=64 # 1vhyA read from 1vhyA/merged-good-all-a2m # found chain 1vhyA in template set Warning: unaligning (T0332)L14 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vhyA)R91 Warning: unaligning (T0332)T19 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vhyA)R91 T0332 5 :ISRLIVVAS 1vhyA 77 :HLKIHLGQV T0332 20 :NLGGLCRTCE 1vhyA 92 :MEFTIQKSVE T0332 31 :FGASVLVVG 1vhyA 102 :LGVNVITPL T0332 40 :SLQCISDKQ 1vhyA 114 :RCGVKLDAE T0332 49 :FQHLSVSAE 1vhyA 131 :WQKIAIAAC T0332 58 :QWLPLVEVK 1vhyA 146 :IVPEIRPLM T0332 69 :QLIDYLQ 1vhyA 155 :KLQDWCA T0332 78 :KTEGYTIIGVE 1vhyA 162 :ENDGALKLNLH T0332 90 :TAKSLDLTQYC 1vhyA 173 :PRAHYSIKTLP T0332 101 :FPEKSLLLLGNER 1vhyA 186 :PAGGVRLLIGSEG T0332 115 :GIPANLIQQL 1vhyA 199 :GLSAQEIAQT T0332 126 :VCVEIP 1vhyA 214 :TEILLG T0332 133 :QGIIRSLNVHVSGALLIWEYT 1vhyA 220 :KRVLRTETASLAAISALQICF Number of specific fragments extracted= 13 number of extra gaps= 0 total=514 Number of alignments=65 # 1vhyA read from 1vhyA/merged-good-all-a2m # found chain 1vhyA in template set Warning: unaligning (T0332)L14 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vhyA)R91 Warning: unaligning (T0332)T19 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vhyA)R91 T0332 3 :KSISRLIVVAS 1vhyA 75 :ESHLKIHLGQV T0332 20 :NLGGL 1vhyA 92 :MEFTI T0332 26 :RTCEVFGASVLVVGSLQCISDK 1vhyA 97 :QKSVELGVNVITPLWSERCGVK T0332 48 :QFQ 1vhyA 122 :ERM T0332 51 :HLSVSAEQWLPLVEVKPPQLIDYLQQ 1vhyA 137 :AACEQCGRNIVPEIRPLMKLQDWCAE T0332 79 :TEGYTIIGVE 1vhyA 163 :NDGALKLNLH T0332 90 :TAKSLDLTQY 1vhyA 173 :PRAHYSIKTL T0332 100 :CFPEKSLLLLGNER 1vhyA 185 :IPAGGVRLLIGSEG T0332 115 :GIPANLIQQL 1vhyA 199 :GLSAQEIAQT T0332 125 :DVCVEIPQQG 1vhyA 211 :QGFTEILLGK T0332 135 :IIRSLNVHVSGALLIWE 1vhyA 222 :VLRTETASLAAISALQI Number of specific fragments extracted= 11 number of extra gaps= 0 total=525 Number of alignments=66 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1o6dA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0332 read from 1o6dA/merged-good-all-a2m # 1o6dA read from 1o6dA/merged-good-all-a2m # found chain 1o6dA in training set Warning: unaligning (T0332)S6 because first residue in template chain is (1o6dA)L1 T0332 7 :RLIVVASLIDKPTNLGGLCRTCEVFG 1o6dA 2 :RVRIAVIGKLDGFIKEGIKHYEKFLR T0332 34 :S 1o6dA 31 :K T0332 35 :VLVVGSLQC 1o6dA 33 :EVLEIKRVH T0332 44 :ISDKQFQHLSVSAEQWL 1o6dA 44 :SIEEIVRKETEDLTNRI T0332 61 :PLVEVKPPQLIDYLQQKKTEG 1o6dA 72 :RGEEVSSEEFADFLKDLEMKG T0332 103 :EKSLLLLGN 1o6dA 93 :KDITILIGG T0332 113 :REGIPANLIQQLDVCVEIPQQGI 1o6dA 102 :PYGLNEEIFAKAHRVFSLSKMTF T0332 141 :VHVSGALLIWEYTRQQLL 1o6dA 126 :HGMTVLIVLEQIFRAFKI Number of specific fragments extracted= 8 number of extra gaps= 0 total=533 Number of alignments=67 # 1o6dA read from 1o6dA/merged-good-all-a2m # found chain 1o6dA in training set Warning: unaligning (T0332)S6 because first residue in template chain is (1o6dA)L1 T0332 7 :RLIVVASLI 1o6dA 2 :RVRIAVIGK T0332 45 :SDKQFQHLSVSAEQW 1o6dA 11 :LDGFIKEGIKHYEKF T0332 60 :LPLVEVK 1o6dA 32 :PEVLEIK T0332 67 :PPQLID 1o6dA 45 :IEEIVR T0332 73 :YLQQKKTE 1o6dA 52 :ETEDLTNR T0332 81 :GYTIIGVEQTAKSLDLTQ 1o6dA 63 :GSFVMVMDKRGEEVSSEE T0332 102 :PEKSLLLLGN 1o6dA 92 :GKDITILIGG T0332 113 :REGIPANLIQQLDVCVEIPQQGI 1o6dA 102 :PYGLNEEIFAKAHRVFSLSKMTF T0332 141 :VHVSGALLIWEYTRQQLL 1o6dA 126 :HGMTVLIVLEQIFRAFKI Number of specific fragments extracted= 9 number of extra gaps= 0 total=542 Number of alignments=68 # 1o6dA read from 1o6dA/merged-good-all-a2m # found chain 1o6dA in training set T0332 8 :LIVVA 1o6dA 3 :VRIAV T0332 38 :VGSLQCISDKQFQHLSVSAEQWLPLVEVKPPQ 1o6dA 8 :IGKLDGFIKEGIKHYEKFLRRFCKPEVLEIKR T0332 70 :LIDYLQQKKTE 1o6dA 49 :VRKETEDLTNR T0332 81 :GYTIIGVEQTAKSLDLTQY 1o6dA 63 :GSFVMVMDKRGEEVSSEEF T0332 102 :PEKSLLLLGN 1o6dA 92 :GKDITILIGG T0332 113 :REGIPANLIQQLDVCVEIPQQG 1o6dA 102 :PYGLNEEIFAKAHRVFSLSKMT T0332 141 :VHVSGALLIWEYTRQQ 1o6dA 126 :HGMTVLIVLEQIFRAF Number of specific fragments extracted= 7 number of extra gaps= 0 total=549 Number of alignments=69 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ns5A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0332 read from 1ns5A/merged-good-all-a2m # 1ns5A read from 1ns5A/merged-good-all-a2m # found chain 1ns5A in training set T0332 7 :RLIVVASL 1ns5A 2 :KLQLVAVG T0332 41 :LQ 1ns5A 10 :TK T0332 45 :SDKQFQHLSVSAEQWLP 1ns5A 12 :MPDWVQTGFTEYLRRFP T0332 62 :LVEVK 1ns5A 35 :LIEIP T0332 67 :PPQLIDYLQQKK 1ns5A 53 :LDKEGEQMLAAA T0332 80 :EGYTIIGVEQTA 1ns5A 65 :GKNRIVTLDIPG T0332 99 :YCFP 1ns5A 77 :KPWD T0332 103 :EKSLLLLGN 1ns5A 96 :RDVSLLIGG T0332 113 :REGIPANLIQQLDVCVEIPQQG 1ns5A 105 :PEGLSPACKAAAEQSWSLSALT T0332 136 :IRSLNVHVSGALLIWEYTRQQLL 1ns5A 127 :LPHPLVRVLVAESLYRAWSITTN Number of specific fragments extracted= 10 number of extra gaps= 0 total=559 Number of alignments=70 # 1ns5A read from 1ns5A/merged-good-all-a2m # found chain 1ns5A in training set T0332 7 :RLIVVASLI 1ns5A 2 :KLQLVAVGT T0332 44 :ISDKQFQHLSVSAEQW 1ns5A 11 :KMPDWVQTGFTEYLRR T0332 60 :LPLVEVK 1ns5A 33 :FELIEIP T0332 70 :LIDYLQQKKT 1ns5A 53 :LDKEGEQMLA T0332 80 :EGYTIIGVEQTAKSLDLTQ 1ns5A 65 :GKNRIVTLDIPGKPWDTPQ T0332 102 :PEKSLLLLGN 1ns5A 95 :GRDVSLLIGG T0332 113 :REGIPANLIQQLDVCVEIPQQGIIRSL 1ns5A 105 :PEGLSPACKAAAEQSWSLSALTLPHPL T0332 141 :VHVSGALLIWEYTRQQLL 1ns5A 132 :VRVLVAESLYRAWSITTN Number of specific fragments extracted= 8 number of extra gaps= 0 total=567 Number of alignments=71 # 1ns5A read from 1ns5A/merged-good-all-a2m # found chain 1ns5A in training set T0332 35 :VLVVGSLQCISDKQFQ 1ns5A 4 :QLVAVGTKMPDWVQTG T0332 52 :LSVSAEQWL 1ns5A 20 :FTEYLRRFP T0332 61 :PLVEVKPPQ 1ns5A 32 :PFELIEIPA T0332 70 :LIDYLQQKKT 1ns5A 53 :LDKEGEQMLA T0332 80 :EGYTIIGVEQTAKSLDLTQY 1ns5A 65 :GKNRIVTLDIPGKPWDTPQL T0332 102 :PEKSLLLLGN 1ns5A 95 :GRDVSLLIGG T0332 113 :REGIPANLIQQLDVCVEIPQQGIIRSL 1ns5A 105 :PEGLSPACKAAAEQSWSLSALTLPHPL T0332 141 :VHVSGALLIWEYTR 1ns5A 132 :VRVLVAESLYRAWS Number of specific fragments extracted= 8 number of extra gaps= 0 total=575 Number of alignments=72 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1nsf/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1nsf expands to /projects/compbio/data/pdb/1nsf.pdb.gz 1nsf:Warning: there is no chain 1nsf will retry with 1nsfA # T0332 read from 1nsf/merged-good-all-a2m # 1nsf read from 1nsf/merged-good-all-a2m # adding 1nsf to template set # found chain 1nsf in template set T0332 2 :GKSISRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQC 1nsf 531 :SDRTPLVSVLLEGPPHSGKTALAAKIAEESNFPFIKICSPDK T0332 44 :ISDKQFQH 1nsf 576 :FSETAKCQ T0332 69 :QLIDYLQQKKTEGYTIIGVE 1nsf 584 :AMKKIFDDAYKSQLSCVVVD T0332 89 :QTAKSLDLT 1nsf 611 :YVPIGPRFS T0332 103 :EKSLLLLGNERE 1nsf 637 :GRKLLIIGTTSR T0332 118 :ANLIQ 1nsf 649 :KDVLQ T0332 123 :QLDVCVEIPQQGIIR 1nsf 660 :AFSTTIHVPNIATGE T0332 148 :LIWEYTRQQLL 1nsf 675 :QLLEALELLGN Number of specific fragments extracted= 8 number of extra gaps= 0 total=583 Number of alignments=73 # 1nsf read from 1nsf/merged-good-all-a2m # found chain 1nsf in template set T0332 2 :GKSISRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQCIS 1nsf 531 :SDRTPLVSVLLEGPPHSGKTALAAKIAEESNFPFIKICSPDKMI T0332 46 :DKQFQH 1nsf 578 :ETAKCQ T0332 69 :QLIDYLQQKKTEGYTIIGVE 1nsf 584 :AMKKIFDDAYKSQLSCVVVD T0332 89 :QTAKSLDLTQ 1nsf 611 :YVPIGPRFSN T0332 99 :YCFPEKSLLLLGNER 1nsf 633 :APPQGRKLLIIGTTS T0332 117 :PANLIQ 1nsf 648 :RKDVLQ T0332 123 :QLDVCVEIPQQGIIR 1nsf 660 :AFSTTIHVPNIATGE T0332 148 :LIWEYTRQQLL 1nsf 675 :QLLEALELLGN Number of specific fragments extracted= 8 number of extra gaps= 0 total=591 Number of alignments=74 # 1nsf read from 1nsf/merged-good-all-a2m # found chain 1nsf in template set T0332 3 :KSISRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQCISDKQFQHLSVS 1nsf 532 :DRTPLVSVLLEGPPHSGKTALAAKIAEESNFPFIKICSPDKMIGFSETAKCQA T0332 70 :LIDYLQQKKTEGYTIIGVEQ 1nsf 585 :MKKIFDDAYKSQLSCVVVDD T0332 90 :TAKS 1nsf 612 :VPIG T0332 96 :LTQYCFPEKSLLLLGNERE 1nsf 630 :LKKAPPQGRKLLIIGTTSR T0332 119 :NLIQQLDVCVEIP 1nsf 656 :EMLNAFSTTIHVP Number of specific fragments extracted= 5 number of extra gaps= 0 total=596 Number of alignments=75 # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0332//projects/compbio/experiments/protein-predict/casp7/T0332/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0332//projects/compbio/experiments/protein-predict/casp7/T0332/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0332/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0332/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((T0332)I85.CB, (T0332)S105.CB) [> 3.8330 = 6.3884 < 8.3049] w=1.0000 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)L107.CB) [> 3.9161 = 6.5269 < 8.4849] w=0.9828 to align # Constraint # added constraint: constraint((T0332)I85.CB, (T0332)L107.CB) [> 3.5521 = 5.9201 < 7.6962] w=0.9465 to align # Constraint # added constraint: constraint((T0332)I85.CB, (T0332)L106.CB) [> 3.9674 = 6.6124 < 8.5962] w=0.9454 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)S34.CB) [> 3.5453 = 5.9088 < 7.6815] w=0.9213 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)V37.CB) [> 3.3765 = 5.6275 < 7.3157] w=0.9207 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)L108.CB) [> 3.9404 = 6.5673 < 8.5375] w=0.9108 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)G39.CA) [> 3.6706 = 6.1176 < 7.9529] w=0.8909 to align # Constraint # added constraint: constraint((T0332)I9.CB, (T0332)A33.CB) [> 4.0907 = 6.8178 < 8.8632] w=0.8817 to align # Constraint # added constraint: constraint((T0332)T83.CB, (T0332)K104.CB) [> 4.0972 = 6.8287 < 8.8773] w=0.8766 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)L108.CB) [> 2.8798 = 4.7996 < 6.2395] w=0.8604 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)A33.CB) [> 3.1985 = 5.3308 < 6.9301] w=0.8529 to align # Constraint # added constraint: constraint((T0332)I85.CB, (T0332)L108.CB) [> 4.0314 = 6.7190 < 8.7348] w=0.8447 to align # Constraint # added constraint: constraint((T0332)I84.CB, (T0332)L106.CB) [> 3.2272 = 5.3787 < 6.9923] w=0.8431 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)L36.CB) [> 3.2544 = 5.4241 < 7.0513] w=0.8401 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)V37.CB) [> 3.9977 = 6.6628 < 8.6617] w=0.8395 to align # Constraint # added constraint: constraint((T0332)I9.CB, (T0332)V35.CB) [> 3.1920 = 5.3200 < 6.9160] w=0.8270 to align # Constraint # added constraint: constraint((T0332)L14.CB, (T0332)G39.CA) [> 3.8250 = 6.3750 < 8.2875] w=0.8169 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)S105.CB) [> 3.5794 = 5.9657 < 7.7554] w=0.8164 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)L107.CB) [> 3.3359 = 5.5598 < 7.2277] w=0.8164 to align # Constraint # added constraint: constraint((T0332)T83.CB, (T0332)S105.CB) [> 3.4405 = 5.7342 < 7.4545] w=0.8145 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)L109.CB) [> 3.4578 = 5.7630 < 7.4920] w=0.8144 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)V35.CB) [> 3.9999 = 6.6665 < 8.6665] w=0.7889 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)V38.CB) [> 3.3232 = 5.5387 < 7.2003] w=0.7886 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)A33.CB) [> 3.2561 = 5.4268 < 7.0549] w=0.7846 to align # Constraint # added constraint: constraint((T0332)I9.CB, (T0332)S34.CB) [> 3.6899 = 6.1498 < 7.9948] w=0.7833 to align # Constraint # added constraint: constraint((T0332)T83.CB, (T0332)L106.CB) [> 4.1245 = 6.8742 < 8.9365] w=0.7755 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)V37.CB) [> 4.2541 = 7.0902 < 9.2173] w=0.7748 to align # Constraint # added constraint: constraint((T0332)L108.CB, (T0332)L124.CB) [> 4.0047 = 6.6745 < 8.6768] w=0.7578 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)V38.CB) [> 3.9940 = 6.6566 < 8.6536] w=0.7529 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)L109.CB) [> 3.3627 = 5.6045 < 7.2859] w=0.7483 to align # Constraint # added constraint: constraint((T0332)I9.CB, (T0332)L36.CB) [> 4.3809 = 7.3015 < 9.4920] w=0.7377 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)L107.CB) [> 4.0959 = 6.8265 < 8.8745] w=0.7261 to align # Constraint # added constraint: constraint((T0332)L74.CB, (T0332)I84.CB) [> 3.8239 = 6.3731 < 8.2850] w=0.7249 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)L36.CB) [> 4.0055 = 6.6758 < 8.6786] w=0.7248 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)L109.CB) [> 4.2705 = 7.1176 < 9.2528] w=0.7144 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)L109.CB) [> 4.0962 = 6.8270 < 8.8751] w=0.7144 to align # Constraint # added constraint: constraint((T0332)I9.CB, (T0332)L107.CB) [> 4.2360 = 7.0600 < 9.1779] w=0.7144 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)L36.CB) [> 4.1407 = 6.9011 < 8.9715] w=0.7136 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)L106.CB) [> 3.5149 = 5.8582 < 7.6156] w=0.7089 to align # Constraint # added constraint: constraint((T0332)I9.CB, (T0332)S105.CB) [> 4.2208 = 7.0347 < 9.1451] w=0.7089 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)L107.CB) [> 3.9498 = 6.5830 < 8.5579] w=0.7088 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)L24.CB) [> 3.6420 = 6.0700 < 7.8910] w=0.7030 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)C28.CB) [> 3.3012 = 5.5019 < 7.1525] w=0.6996 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)G32.CA) [> 4.0616 = 6.7693 < 8.8000] w=0.6991 to align # Constraint # added constraint: constraint((T0332)R7.CB, (T0332)S34.CB) [> 3.2602 = 5.4337 < 7.0638] w=0.6974 to align # Constraint # added constraint: constraint((T0332)I84.CB, (T0332)L108.CB) [> 3.9642 = 6.6070 < 8.5891] w=0.6964 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)L109.CB) [> 4.3668 = 7.2780 < 9.4614] w=0.6964 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)L109.CB) [> 4.0800 = 6.8000 < 8.8400] w=0.6915 to align # Constraint # added constraint: constraint((T0332)I9.CB, (T0332)Y82.CB) [> 3.9663 = 6.6104 < 8.5936] w=0.6807 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)L124.CB) [> 3.2822 = 5.4703 < 7.1114] w=0.6740 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)G39.CA) [> 4.0357 = 6.7262 < 8.7441] w=0.6724 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)G110.CA) [> 4.1243 = 6.8739 < 8.9361] w=0.6623 to align # Constraint # added constraint: constraint((T0332)Y82.CB, (T0332)K104.CB) [> 2.9771 = 4.9619 < 6.4504] w=0.6600 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)L108.CB) [> 2.7525 = 4.5875 < 5.9637] w=0.6574 to align # Constraint # added constraint: constraint((T0332)I9.CB, (T0332)L106.CB) [> 2.7132 = 4.5219 < 5.8785] w=0.6574 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)G110.CA) [> 2.9483 = 4.9138 < 6.3879] w=0.6568 to align # Constraint # added constraint: constraint((T0332)C25.CB, (T0332)L36.CB) [> 3.7216 = 6.2027 < 8.0635] w=0.6479 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)V65.CB) [> 3.8552 = 6.4253 < 8.3529] w=0.6459 to align # Constraint # added constraint: constraint((T0332)Y82.CB, (T0332)L106.CB) [> 3.0618 = 5.1030 < 6.6339] w=0.6443 to align # Constraint # added constraint: constraint((T0332)Y82.CB, (T0332)S105.CB) [> 3.6976 = 6.1627 < 8.0115] w=0.6443 to align # Constraint # added constraint: constraint((T0332)L109.CB, (T0332)V141.CB) [> 3.4192 = 5.6987 < 7.4083] w=0.6386 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)V128.CB) [> 3.8160 = 6.3600 < 8.2679] w=0.6223 to align # Constraint # added constraint: constraint((T0332)I85.CB, (T0332)V128.CB) [> 3.5036 = 5.8393 < 7.5910] w=0.6223 to align # Constraint # added constraint: constraint((T0332)L94.CB, (T0332)E129.CB) [> 4.2366 = 7.0610 < 9.1793] w=0.6222 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)E129.CB) [> 3.6347 = 6.0578 < 7.8751] w=0.6220 to align # Constraint # added constraint: constraint((T0332)L107.CB, (T0332)G145.CA) [> 4.3331 = 7.2218 < 9.3884] w=0.6209 to align # Constraint # added constraint: constraint((T0332)L14.CB, (T0332)S40.CB) [> 3.5811 = 5.9685 < 7.7590] w=0.6160 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)G110.CA) [> 4.0348 = 6.7247 < 8.7421] w=0.6106 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)N111.CB) [> 3.4997 = 5.8329 < 7.5828] w=0.6103 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)L107.CB) [> 4.0904 = 6.8173 < 8.8625] w=0.6103 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)C127.CB) [> 3.3590 = 5.5984 < 7.2779] w=0.6052 to align # Constraint # added constraint: constraint((T0332)I9.CB, (T0332)V37.CB) [> 3.9957 = 6.6596 < 8.6574] w=0.6046 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)E129.CB) [> 4.3064 = 7.1774 < 9.3307] w=0.6046 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)I130.CB) [> 4.1752 = 6.9587 < 9.0463] w=0.6045 to align # Constraint # added constraint: constraint((T0332)R7.CB, (T0332)S105.CB) [> 4.3087 = 7.1812 < 9.3355] w=0.5930 to align # Constraint # added constraint: constraint((T0332)R7.CB, (T0332)K104.CB) [> 2.6996 = 4.4994 < 5.8492] w=0.5880 to align # Constraint # added constraint: constraint((T0332)I85.CB, (T0332)C127.CB) [> 4.2443 = 7.0738 < 9.1959] w=0.5875 to align # Constraint # added constraint: constraint((T0332)I84.CB, (T0332)L124.CB) [> 3.4219 = 5.7032 < 7.4142] w=0.5874 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)V35.CB) [> 4.4172 = 7.3620 < 9.5706] w=0.5804 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)V38.CB) [> 4.3096 = 7.1826 < 9.3374] w=0.5782 to align # Constraint # added constraint: constraint((T0332)I84.CB, (T0332)S105.CB) [> 4.1249 = 6.8748 < 8.9372] w=0.5774 to align # Constraint # added constraint: constraint((T0332)L94.CB, (T0332)V128.CB) [> 3.4695 = 5.7824 < 7.5172] w=0.5706 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)V126.CB) [> 3.9680 = 6.6133 < 8.5972] w=0.5700 to align # Constraint # added constraint: constraint((T0332)L36.CB, (T0332)L62.CB) [> 3.4381 = 5.7302 < 7.4493] w=0.5647 to align # Constraint # added constraint: constraint((T0332)L36.CB, (T0332)V63.CB) [> 4.1563 = 6.9271 < 9.0053] w=0.5647 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)E64.CB) [> 3.8820 = 6.4700 < 8.4110] w=0.5598 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)L106.CB) [> 4.5025 = 7.5041 < 9.7554] w=0.5538 to align # Constraint # added constraint: constraint((T0332)L96.CB, (T0332)I130.CB) [> 3.1966 = 5.3276 < 6.9259] w=0.5534 to align # Constraint # added constraint: constraint((T0332)I85.CB, (T0332)V126.CB) [> 2.9161 = 4.8601 < 6.3182] w=0.5532 to align # Constraint # added constraint: constraint((T0332)T83.CB, (T0332)E103.CB) [> 3.6969 = 6.1615 < 8.0099] w=0.5514 to align # Constraint # added constraint: constraint((T0332)L24.CB, (T0332)L36.CB) [> 4.1363 = 6.8938 < 8.9620] w=0.5480 to align # Constraint # added constraint: constraint((T0332)Y99.CB, (T0332)V128.CB) [> 3.6426 = 6.0710 < 7.8923] w=0.5363 to align # Constraint # added constraint: constraint((T0332)L107.CB, (T0332)I149.CB) [> 4.2687 = 7.1144 < 9.2488] w=0.5360 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)C127.CB) [> 3.1581 = 5.2635 < 6.8426] w=0.5345 to align # Constraint # added constraint: constraint((T0332)V35.CB, (T0332)V63.CB) [> 3.6708 = 6.1180 < 7.9534] w=0.5335 to align # Constraint # added constraint: constraint((T0332)G110.CA, (T0332)V141.CB) [> 3.9989 = 6.6647 < 8.6642] w=0.5316 to align # Constraint # added constraint: constraint((T0332)I15.CB, (T0332)V38.CB) [> 4.0172 = 6.6953 < 8.7039] w=0.5304 to align # Constraint # added constraint: constraint((T0332)T27.CB, (T0332)A146.CB) [> 3.1361 = 5.2269 < 6.7950] w=0.5195 to align # Constraint # added constraint: constraint((T0332)D95.CB, (T0332)P131.CB) [> 3.3180 = 5.5299 < 7.1889] w=0.5191 to align # Constraint # added constraint: constraint((T0332)L14.CB, (T0332)N111.CB) [> 3.0101 = 5.0168 < 6.5218] w=0.5189 to align # Constraint # added constraint: constraint((T0332)T83.CB, (T0332)V126.CB) [> 4.1983 = 6.9971 < 9.0963] w=0.5187 to align # Constraint # added constraint: constraint((T0332)I130.CB, (T0332)S144.CB) [> 3.6118 = 6.0196 < 7.8255] w=0.5179 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)I116.CB) [> 3.7215 = 6.2025 < 8.0632] w=0.5161 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)V65.CB) [> 3.5164 = 5.8607 < 7.6189] w=0.5145 to align # Constraint # added constraint: constraint((T0332)I130.CB, (T0332)L148.CB) [> 4.2430 = 7.0717 < 9.1932] w=0.5016 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)G39.CA) [> 4.2475 = 7.0792 < 9.2030] w=0.5016 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)V128.CB) [> 3.6448 = 6.0747 < 7.8971] w=0.5015 to align # Constraint # added constraint: constraint((T0332)L96.CB, (T0332)L148.CB) [> 3.2738 = 5.4564 < 7.0933] w=0.5013 to align # Constraint # added constraint: constraint((T0332)I84.CB, (T0332)D125.CB) [> 3.1585 = 5.2642 < 6.8434] w=0.5012 to align # Constraint # added constraint: constraint((T0332)A91.CB, (T0332)E129.CB) [> 4.0545 = 6.7576 < 8.7848] w=0.5010 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)K104.CB) [> 4.3627 = 7.2712 < 9.4525] w=0.5007 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)L24.CB) [> 4.3666 = 7.2777 < 9.4610] w=0.4852 to align # Constraint # added constraint: constraint((T0332)L109.CB, (T0332)G145.CA) [> 3.5945 = 5.9909 < 7.7882] w=0.4851 to align # Constraint # added constraint: constraint((T0332)I15.CB, (T0332)N111.CB) [> 3.5064 = 5.8440 < 7.5972] w=0.4842 to align # Constraint # added constraint: constraint((T0332)I84.CB, (T0332)V126.CB) [> 4.2670 = 7.1118 < 9.2453] w=0.4835 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)L70.CB) [> 3.7211 = 6.2018 < 8.0624] w=0.4835 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)S40.CB) [> 4.2118 = 7.0196 < 9.1255] w=0.4782 to align # Constraint # added constraint: constraint((T0332)G39.CA, (T0332)V65.CB) [> 3.4438 = 5.7397 < 7.4616] w=0.4735 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)V63.CB) [> 3.4871 = 5.8118 < 7.5553] w=0.4735 to align # Constraint # added constraint: constraint((T0332)S6.CB, (T0332)K104.CB) [> 3.8160 = 6.3600 < 8.2680] w=0.4721 to align # Constraint # added constraint: constraint((T0332)G39.CA, (T0332)L70.CB) [> 3.8733 = 6.4554 < 8.3920] w=0.4719 to align # Constraint # added constraint: constraint((T0332)F31.CB, (T0332)W150.CB) [> 3.7127 = 6.1878 < 8.0442] w=0.4675 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)V128.CB) [> 4.4286 = 7.3811 < 9.5954] w=0.4669 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)L108.CB) [> 3.7962 = 6.3270 < 8.2251] w=0.4668 to align # Constraint # added constraint: constraint((T0332)I85.CB, (T0332)D125.CB) [> 3.9022 = 6.5037 < 8.4548] w=0.4668 to align # Constraint # added constraint: constraint((T0332)S93.CB, (T0332)E129.CB) [> 3.3245 = 5.5409 < 7.2031] w=0.4661 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)Y152.CB) [> 3.8509 = 6.4181 < 8.3436] w=0.4645 to align # Constraint # added constraint: constraint((T0332)L14.CB, (T0332)V38.CB) [> 3.8950 = 6.4916 < 8.4391] w=0.4554 to align # Constraint # added constraint: constraint((T0332)T27.CB, (T0332)H142.CB) [> 4.0441 = 6.7402 < 8.7623] w=0.4505 to align # Constraint # added constraint: constraint((T0332)L109.CB, (T0332)S144.CB) [> 3.7115 = 6.1858 < 8.0416] w=0.4505 to align # Constraint # added constraint: constraint((T0332)L107.CB, (T0332)L148.CB) [> 3.5359 = 5.8932 < 7.6611] w=0.4505 to align # Constraint # added constraint: constraint((T0332)G23.CA, (T0332)H142.CB) [> 3.1257 = 5.2094 < 6.7723] w=0.4502 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)G115.CA) [> 4.2741 = 7.1235 < 9.2605] w=0.4496 to align # Constraint # added constraint: constraint((T0332)I85.CB, (T0332)L124.CB) [> 3.7649 = 6.2748 < 8.1572] w=0.4495 to align # Constraint # added constraint: constraint((T0332)L24.CB, (T0332)H142.CB) [> 3.1502 = 5.2503 < 6.8254] w=0.4332 to align # Constraint # added constraint: constraint((T0332)L14.CB, (T0332)G110.CA) [> 3.6426 = 6.0710 < 7.8923] w=0.4331 to align # Constraint # added constraint: constraint((T0332)L96.CB, (T0332)E151.CB) [> 3.5573 = 5.9288 < 7.7075] w=0.4328 to align # Constraint # added constraint: constraint((T0332)K92.CB, (T0332)C127.CB) [> 3.1646 = 5.2743 < 6.8566] w=0.4327 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)L21.CB) [> 4.0638 = 6.7731 < 8.8050] w=0.4319 to align # Constraint # added constraint: constraint((T0332)R7.CB, (T0332)V35.CB) [> 4.3401 = 7.2335 < 9.4036] w=0.4316 to align # Constraint # added constraint: constraint((T0332)N111.CB, (T0332)V141.CB) [> 4.0566 = 6.7609 < 8.7892] w=0.4162 to align # Constraint # added constraint: constraint((T0332)I71.CB, (T0332)Q123.CB) [> 3.4429 = 5.7381 < 7.4596] w=0.4144 to align # Constraint # added constraint: constraint((T0332)L14.CB, (T0332)L41.CB) [> 4.0310 = 6.7183 < 8.7338] w=0.4135 to align # Constraint # added constraint: constraint((T0332)V35.CB, (T0332)L62.CB) [> 3.9719 = 6.6199 < 8.6059] w=0.4125 to align # Constraint # added constraint: constraint((T0332)I15.CB, (T0332)L24.CB) [> 3.8459 = 6.4098 < 8.3328] w=0.4113 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)I84.CB) [> 4.1737 = 6.9562 < 9.0430] w=0.4047 to align # Constraint # added constraint: constraint((T0332)I85.CB, (T0332)Y99.CB) [> 3.7245 = 6.2074 < 8.0696] w=0.3990 to align # Constraint # added constraint: constraint((T0332)F31.CB, (T0332)I149.CB) [> 2.7874 = 4.6457 < 6.0395] w=0.3988 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)L148.CB) [> 4.0354 = 6.7257 < 8.7435] w=0.3986 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)S144.CB) [> 3.6713 = 6.1189 < 7.9545] w=0.3986 to align # Constraint # added constraint: constraint((T0332)I130.CB, (T0332)L147.CB) [> 3.4784 = 5.7974 < 7.5366] w=0.3986 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)I121.CB) [> 4.3343 = 7.2238 < 9.3910] w=0.3984 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)L108.CB) [> 4.6754 = 7.7923 < 10.1300] w=0.3983 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)I116.CB) [> 3.8228 = 6.3713 < 8.2827] w=0.3982 to align # Constraint # added constraint: constraint((T0332)I84.CB, (T0332)Q123.CB) [> 3.7716 = 6.2860 < 8.1718] w=0.3976 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)G145.CA) [> 4.2418 = 7.0696 < 9.1905] w=0.3971 to align # Constraint # added constraint: constraint((T0332)I9.CB, (T0332)K104.CB) [> 3.9334 = 6.5557 < 8.5225] w=0.3966 to align # Constraint # added constraint: constraint((T0332)C25.CB, (T0332)L62.CB) [> 4.0069 = 6.6783 < 8.6817] w=0.3948 to align # Constraint # added constraint: constraint((T0332)V35.CB, (T0332)P61.CB) [> 3.2863 = 5.4772 < 7.1203] w=0.3938 to align # Constraint # added constraint: constraint((T0332)R26.CB, (T0332)A56.CB) [> 3.1511 = 5.2519 < 6.8275] w=0.3919 to align # Constraint # added constraint: constraint((T0332)V35.CB, (T0332)L60.CB) [> 3.9078 = 6.5130 < 8.4669] w=0.3916 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)V63.CB) [> 4.1448 = 6.9080 < 8.9804] w=0.3905 to align # Constraint # added constraint: constraint((T0332)L21.CB, (T0332)V38.CB) [> 4.2863 = 7.1438 < 9.2870] w=0.3902 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)L62.CB) [> 3.9759 = 6.6265 < 8.6144] w=0.3900 to align # Constraint # added constraint: constraint((T0332)E29.CB, (T0332)L60.CB) [> 3.3352 = 5.5587 < 7.2263] w=0.3877 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)L62.CB) [> 4.1517 = 6.9194 < 8.9953] w=0.3869 to align # Constraint # added constraint: constraint((T0332)C28.CB, (T0332)I149.CB) [> 4.0661 = 6.7768 < 8.8099] w=0.3815 to align # Constraint # added constraint: constraint((T0332)T27.CB, (T0332)I149.CB) [> 3.4959 = 5.8264 < 7.5744] w=0.3815 to align # Constraint # added constraint: constraint((T0332)L24.CB, (T0332)G145.CA) [> 3.9673 = 6.6121 < 8.5957] w=0.3815 to align # Constraint # added constraint: constraint((T0332)N20.CB, (T0332)H142.CB) [> 2.9754 = 4.9590 < 6.4467] w=0.3815 to align # Constraint # added constraint: constraint((T0332)F31.CB, (T0332)T153.CB) [> 3.0155 = 5.0258 < 6.5335] w=0.3812 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)L106.CB) [> 4.5370 = 7.5616 < 9.8301] w=0.3812 to align # Constraint # added constraint: constraint((T0332)S93.CB, (T0332)C127.CB) [> 3.3171 = 5.5285 < 7.1871] w=0.3812 to align # Constraint # added constraint: constraint((T0332)L108.CB, (T0332)L120.CB) [> 3.5535 = 5.9224 < 7.6991] w=0.3806 to align # Constraint # added constraint: constraint((T0332)L74.CB, (T0332)L120.CB) [> 4.1096 = 6.8493 < 8.9041] w=0.3789 to align # Constraint # added constraint: constraint((T0332)L36.CB, (T0332)L60.CB) [> 3.5479 = 5.9132 < 7.6872] w=0.3759 to align # Constraint # added constraint: constraint((T0332)E29.CB, (T0332)A56.CB) [> 3.1358 = 5.2264 < 6.7943] w=0.3740 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)Y73.CB) [> 3.5873 = 5.9789 < 7.7726] w=0.3682 to align # Constraint # added constraint: constraint((T0332)A33.CB, (T0332)I149.CB) [> 3.9012 = 6.5020 < 8.4527] w=0.3642 to align # Constraint # added constraint: constraint((T0332)T27.CB, (T0332)G145.CA) [> 3.7877 = 6.3129 < 8.2068] w=0.3642 to align # Constraint # added constraint: constraint((T0332)L24.CB, (T0332)V141.CB) [> 4.3446 = 7.2410 < 9.4134] w=0.3642 to align # Constraint # added constraint: constraint((T0332)L109.CB, (T0332)L148.CB) [> 4.4802 = 7.4669 < 9.7070] w=0.3641 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)I149.CB) [> 4.1314 = 6.8857 < 8.9514] w=0.3626 to align # Constraint # added constraint: constraint((T0332)R7.CB, (T0332)E103.CB) [> 4.4001 = 7.3334 < 9.5335] w=0.3626 to align # Constraint # added constraint: constraint((T0332)L36.CB, (T0332)P61.CB) [> 4.2201 = 7.0335 < 9.1436] w=0.3591 to align # Constraint # added constraint: constraint((T0332)C25.CB, (T0332)A56.CB) [> 3.3284 = 5.5473 < 7.2114] w=0.3559 to align # Constraint # added constraint: constraint((T0332)I84.CB, (T0332)L107.CB) [> 4.2662 = 7.1104 < 9.2435] w=0.3496 to align # Constraint # added constraint: constraint((T0332)S105.CB, (T0332)Y152.CB) [> 4.2627 = 7.1045 < 9.2358] w=0.3469 to align # Constraint # added constraint: constraint((T0332)G22.CA, (T0332)H142.CB) [> 4.6236 = 7.7060 < 10.0179] w=0.3469 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)G145.CA) [> 4.1370 = 6.8949 < 8.9634] w=0.3462 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)I121.CB) [> 3.6822 = 6.1370 < 7.9781] w=0.3461 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)C127.CB) [> 4.4334 = 7.3891 < 9.6058] w=0.3460 to align # Constraint # added constraint: constraint((T0332)R7.CB, (T0332)Y82.CB) [> 4.1113 = 6.8522 < 8.9079] w=0.3456 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)L106.CB) [> 3.8084 = 6.3473 < 8.2515] w=0.3434 to align # Constraint # added constraint: constraint((T0332)E29.CB, (T0332)W59.CB) [> 3.3993 = 5.6655 < 7.3652] w=0.3420 to align # Constraint # added constraint: constraint((T0332)N20.CB, (T0332)V141.CB) [> 3.2737 = 5.4561 < 7.0930] w=0.3296 to align # Constraint # added constraint: constraint((T0332)I15.CB, (T0332)V141.CB) [> 3.8396 = 6.3993 < 8.3191] w=0.3296 to align # Constraint # added constraint: constraint((T0332)R26.CB, (T0332)V54.CB) [> 3.6973 = 6.1622 < 8.0109] w=0.3295 to align # Constraint # added constraint: constraint((T0332)F101.CB, (T0332)E151.CB) [> 4.0843 = 6.8072 < 8.8493] w=0.3294 to align # Constraint # added constraint: constraint((T0332)L96.CB, (T0332)L147.CB) [> 4.3825 = 7.3041 < 9.4953] w=0.3294 to align # Constraint # added constraint: constraint((T0332)L94.CB, (T0332)C127.CB) [> 4.1753 = 6.9589 < 9.0466] w=0.3291 to align # Constraint # added constraint: constraint((T0332)F31.CB, (T0332)A146.CB) [> 3.5534 = 5.9224 < 7.6991] w=0.3285 to align # Constraint # added constraint: constraint((T0332)I130.CB, (T0332)L139.CB) [> 3.8089 = 6.3482 < 8.2527] w=0.3279 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)S105.CB) [> 3.7242 = 6.2070 < 8.0690] w=0.3277 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)G110.CA) [> 4.3253 = 7.2088 < 9.3714] w=0.3267 to align # Constraint # added constraint: constraint((T0332)I84.CB, (T0332)K104.CB) [> 3.9578 = 6.5964 < 8.5753] w=0.3261 to align # Constraint # added constraint: constraint((T0332)G39.CA, (T0332)P67.CB) [> 3.5842 = 5.9736 < 7.7657] w=0.3254 to align # Constraint # added constraint: constraint((T0332)D16.CB, (T0332)Q42.CB) [> 3.5583 = 5.9306 < 7.7097] w=0.3251 to align # Constraint # added constraint: constraint((T0332)C25.CB, (T0332)S53.CB) [> 3.6002 = 6.0004 < 7.8005] w=0.3225 to align # Constraint # added constraint: constraint((T0332)L109.CB, (T0332)H142.CB) [> 3.1444 = 5.2407 < 6.8130] w=0.3203 to align # Constraint # added constraint: constraint((T0332)S53.CB, (T0332)L62.CB) [> 3.6723 = 6.1205 < 7.9567] w=0.3200 to align # Constraint # added constraint: constraint((T0332)L24.CB, (T0332)L109.CB) [> 4.0522 = 6.7537 < 8.7798] w=0.3172 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)L108.CB) [> 4.6256 = 7.7094 < 10.0222] w=0.3171 to align # Constraint # added constraint: constraint((T0332)S6.CB, (T0332)E103.CB) [> 3.5797 = 5.9662 < 7.7560] w=0.3170 to align # Constraint # added constraint: constraint((T0332)I15.CB, (T0332)G39.CA) [> 3.9550 = 6.5917 < 8.5692] w=0.3164 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)L120.CB) [> 3.6331 = 6.0552 < 7.8717] w=0.3123 to align # Constraint # added constraint: constraint((T0332)T97.CB, (T0332)E151.CB) [> 3.6453 = 6.0756 < 7.8982] w=0.3123 to align # Constraint # added constraint: constraint((T0332)F101.CB, (T0332)Y152.CB) [> 2.3040 = 3.8400 < 4.9920] w=0.3123 to align # Constraint # added constraint: constraint((T0332)F101.CB, (T0332)Q155.CB) [> 3.0971 = 5.1618 < 6.7103] w=0.3123 to align # Constraint # added constraint: constraint((T0332)E112.CB, (T0332)V141.CB) [> 3.2537 = 5.4228 < 7.0497] w=0.3121 to align # Constraint # added constraint: constraint((T0332)F31.CB, (T0332)Y152.CB) [> 4.1538 = 6.9230 < 8.9999] w=0.3121 to align # Constraint # added constraint: constraint((T0332)I15.CB, (T0332)G110.CA) [> 4.0928 = 6.8213 < 8.8677] w=0.3117 to align # Constraint # added constraint: constraint((T0332)A33.CB, (T0332)L60.CB) [> 3.7035 = 6.1725 < 8.0242] w=0.3102 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)S34.CB) [> 4.1582 = 6.9304 < 9.0095] w=0.2996 to align # Constraint # added constraint: constraint((T0332)L107.CB, (T0332)Y152.CB) [> 4.2990 = 7.1650 < 9.3145] w=0.2948 to align # Constraint # added constraint: constraint((T0332)L21.CB, (T0332)F49.CB) [> 3.6973 = 6.1621 < 8.0107] w=0.2945 to align # Constraint # added constraint: constraint((T0332)Y99.CB, (T0332)V126.CB) [> 3.7889 = 6.3148 < 8.2092] w=0.2943 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)L120.CB) [> 4.1745 = 6.9575 < 9.0448] w=0.2941 to align # Constraint # added constraint: constraint((T0332)I15.CB, (T0332)Q42.CB) [> 3.7623 = 6.2705 < 8.1517] w=0.2925 to align # Constraint # added constraint: constraint((T0332)S40.CB, (T0332)K66.CB) [> 3.9143 = 6.5238 < 8.4809] w=0.2906 to align # Constraint # added constraint: constraint((T0332)L36.CB, (T0332)I85.CB) [> 4.2238 = 7.0397 < 9.1516] w=0.2884 to align # Constraint # added constraint: constraint((T0332)S34.CB, (T0332)T83.CB) [> 4.0019 = 6.6699 < 8.6708] w=0.2884 to align # Constraint # added constraint: constraint((T0332)E29.CB, (T0332)Q58.CB) [> 3.1522 = 5.2537 < 6.8298] w=0.2839 to align # Constraint # added constraint: constraint((T0332)Q132.CB, (T0332)S144.CB) [> 4.0426 = 6.7377 < 8.7590] w=0.2836 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)L109.CB) [> 3.5042 = 5.8404 < 7.5925] w=0.2809 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)F31.CB) [> 4.4180 = 7.3633 < 9.5723] w=0.2774 to align # Constraint # added constraint: constraint((T0332)G32.CA, (T0332)T153.CB) [> 4.3847 = 7.3078 < 9.5002] w=0.2773 to align # Constraint # added constraint: constraint((T0332)I15.CB, (T0332)E112.CB) [> 4.1608 = 6.9346 < 9.0150] w=0.2766 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)Y73.CB) [> 3.6158 = 6.0263 < 7.8342] w=0.2766 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)I85.CB) [> 3.0820 = 5.1366 < 6.6776] w=0.2716 to align # Constraint # added constraint: constraint((T0332)P18.CB, (T0332)L52.CB) [> 3.9984 = 6.6641 < 8.6633] w=0.2697 to align # Constraint # added constraint: constraint((T0332)S6.CB, (T0332)S105.CB) [> 3.7282 = 6.2137 < 8.0778] w=0.2639 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)L108.CB) [> 3.7527 = 6.2544 < 8.1307] w=0.2635 to align # Constraint # added constraint: constraint((T0332)E112.CB, (T0332)N140.CB) [> 4.3107 = 7.1845 < 9.3398] w=0.2602 to align # Constraint # added constraint: constraint((T0332)N20.CB, (T0332)N140.CB) [> 4.3082 = 7.1803 < 9.3343] w=0.2602 to align # Constraint # added constraint: constraint((T0332)P18.CB, (T0332)D46.CB) [> 3.2842 = 5.4736 < 7.1157] w=0.2602 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)V141.CB) [> 4.0560 = 6.7599 < 8.7879] w=0.2600 to align # Constraint # added constraint: constraint((T0332)C28.CB, (T0332)L60.CB) [> 3.5128 = 5.8547 < 7.6111] w=0.2596 to align # Constraint # added constraint: constraint((T0332)S34.CB, (T0332)P61.CB) [> 4.2142 = 7.0237 < 9.1308] w=0.2593 to align # Constraint # added constraint: constraint((T0332)V128.CB, (T0332)L148.CB) [> 4.2680 = 7.1133 < 9.2473] w=0.2593 to align # Constraint # added constraint: constraint((T0332)E112.CB, (T0332)S138.CB) [> 3.7890 = 6.3151 < 8.2096] w=0.2591 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)L41.CB) [> 3.0650 = 5.1083 < 6.6408] w=0.2587 to align # Constraint # added constraint: constraint((T0332)I15.CB, (T0332)S40.CB) [> 3.5918 = 5.9863 < 7.7822] w=0.2586 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)P67.CB) [> 3.6238 = 6.0397 < 7.8517] w=0.2562 to align # Constraint # added constraint: constraint((T0332)C25.CB, (T0332)V38.CB) [> 3.8625 = 6.4374 < 8.3687] w=0.2549 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)G86.CA) [> 3.7390 = 6.2316 < 8.1011] w=0.2549 to align # Constraint # added constraint: constraint((T0332)G39.CA, (T0332)V87.CB) [> 3.1247 = 5.2079 < 6.7703] w=0.2542 to align # Constraint # added constraint: constraint((T0332)I130.CB, (T0332)G145.CA) [> 3.7915 = 6.3191 < 8.2148] w=0.2512 to align # Constraint # added constraint: constraint((T0332)V35.CB, (T0332)I85.CB) [> 3.7478 = 6.2464 < 8.1203] w=0.2485 to align # Constraint # added constraint: constraint((T0332)N20.CB, (T0332)E112.CB) [> 3.9927 = 6.6545 < 8.6508] w=0.2478 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)L107.CB) [> 3.7694 = 6.2824 < 8.1671] w=0.2478 to align # Constraint # added constraint: constraint((T0332)L74.CB, (T0332)L106.CB) [> 4.1665 = 6.9441 < 9.0274] w=0.2475 to align # Constraint # added constraint: constraint((T0332)L21.CB, (T0332)C43.CB) [> 4.0173 = 6.6955 < 8.7041] w=0.2429 to align # Constraint # added constraint: constraint((T0332)V30.CB, (T0332)I149.CB) [> 4.6322 = 7.7203 < 10.0364] w=0.2428 to align # Constraint # added constraint: constraint((T0332)S4.CB, (T0332)S34.CB) [> 3.9784 = 6.6307 < 8.6199] w=0.2425 to align # Constraint # added constraint: constraint((T0332)L96.CB, (T0332)P131.CB) [> 4.3711 = 7.2851 < 9.4707] w=0.2422 to align # Constraint # added constraint: constraint((T0332)P18.CB, (T0332)F49.CB) [> 2.9350 = 4.8917 < 6.3591] w=0.2422 to align # Constraint # added constraint: constraint((T0332)L41.CB, (T0332)N111.CB) [> 3.2665 = 5.4441 < 7.0774] w=0.2419 to align # Constraint # added constraint: constraint((T0332)L70.CB, (T0332)L108.CB) [> 4.5181 = 7.5301 < 9.7891] w=0.2413 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)H142.CB) [> 3.9389 = 6.5648 < 8.5343] w=0.2412 to align # Constraint # added constraint: constraint((T0332)L36.CB, (T0332)V65.CB) [> 4.1421 = 6.9035 < 8.9745] w=0.2402 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)I85.CB) [> 4.4346 = 7.3910 < 9.6083] w=0.2374 to align # Constraint # added constraint: constraint((T0332)L36.CB, (T0332)T83.CB) [> 4.2477 = 7.0795 < 9.2033] w=0.2374 to align # Constraint # added constraint: constraint((T0332)T90.CB, (T0332)S138.CB) [> 3.8435 = 6.4058 < 8.3275] w=0.2358 to align # Constraint # added constraint: constraint((T0332)Q132.CB, (T0332)V141.CB) [> 3.4061 = 5.6768 < 7.3799] w=0.2343 to align # Constraint # added constraint: constraint((T0332)L107.CB, (T0332)V128.CB) [> 4.4535 = 7.4225 < 9.6492] w=0.2326 to align # Constraint # added constraint: constraint((T0332)L14.CB, (T0332)L109.CB) [> 3.8977 = 6.4962 < 8.4451] w=0.2321 to align # Constraint # added constraint: constraint((T0332)T19.CB, (T0332)H142.CB) [> 4.5221 = 7.5368 < 9.7979] w=0.2253 to align # Constraint # added constraint: constraint((T0332)I9.CB, (T0332)K77.CB) [> 4.1995 = 6.9991 < 9.0989] w=0.2253 to align # Constraint # added constraint: constraint((T0332)G22.CA, (T0332)F49.CB) [> 3.5253 = 5.8755 < 7.6382] w=0.2252 to align # Constraint # added constraint: constraint((T0332)R26.CB, (T0332)S53.CB) [> 3.4365 = 5.7276 < 7.4459] w=0.2251 to align # Constraint # added constraint: constraint((T0332)I15.CB, (T0332)L41.CB) [> 3.6943 = 6.1572 < 8.0044] w=0.2246 to align # Constraint # added constraint: constraint((T0332)L41.CB, (T0332)G110.CA) [> 4.1693 = 6.9489 < 9.0335] w=0.2246 to align # Constraint # added constraint: constraint((T0332)L21.CB, (T0332)L52.CB) [> 3.8527 = 6.4212 < 8.3476] w=0.2236 to align # Constraint # added constraint: constraint((T0332)Y82.CB, (T0332)E103.CB) [> 3.1100 = 5.1834 < 6.7384] w=0.2236 to align # Constraint # added constraint: constraint((T0332)L109.CB, (T0332)S138.CB) [> 3.4396 = 5.7327 < 7.4525] w=0.2226 to align # Constraint # added constraint: constraint((T0332)V35.CB, (T0332)T83.CB) [> 2.9043 = 4.8405 < 6.2926] w=0.2206 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)L70.CB) [> 3.9483 = 6.5805 < 8.5546] w=0.2194 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)V35.CB) [> 4.1201 = 6.8668 < 8.9268] w=0.2177 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)V37.CB) [> 4.3531 = 7.2552 < 9.4318] w=0.2173 to align # Constraint # added constraint: constraint((T0332)G22.CA, (T0332)Y73.CB) [> 2.8322 = 4.7203 < 6.1364] w=0.2165 to align # Constraint # added constraint: constraint((T0332)C25.CB, (T0332)Y73.CB) [> 3.0109 = 5.0181 < 6.5236] w=0.2165 to align # Constraint # added constraint: constraint((T0332)C25.CB, (T0332)L74.CB) [> 3.4876 = 5.8127 < 7.5565] w=0.2165 to align # Constraint # added constraint: constraint((T0332)R26.CB, (T0332)K77.CB) [> 3.7882 = 6.3136 < 8.2077] w=0.2165 to align # Constraint # added constraint: constraint((T0332)E29.CB, (T0332)K77.CB) [> 2.8812 = 4.8020 < 6.2426] w=0.2165 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)I85.CB) [> 3.8425 = 6.4042 < 8.3255] w=0.2137 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)G110.CA) [> 4.3284 = 7.2140 < 9.3781] w=0.2125 to align # Constraint # added constraint: constraint((T0332)T19.CB, (T0332)L52.CB) [> 3.3926 = 5.6543 < 7.3506] w=0.2082 to align # Constraint # added constraint: constraint((T0332)P18.CB, (T0332)C43.CB) [> 3.3140 = 5.5234 < 7.1804] w=0.2080 to align # Constraint # added constraint: constraint((T0332)V30.CB, (T0332)A146.CB) [> 4.5236 = 7.5394 < 9.8012] w=0.2080 to align # Constraint # added constraint: constraint((T0332)G22.CA, (T0332)S53.CB) [> 2.7383 = 4.5639 < 5.9330] w=0.2079 to align # Constraint # added constraint: constraint((T0332)T83.CB, (T0332)C100.CB) [> 3.9796 = 6.6327 < 8.6225] w=0.2079 to align # Constraint # added constraint: constraint((T0332)I15.CB, (T0332)L109.CB) [> 4.2405 = 7.0675 < 9.1877] w=0.2076 to align # Constraint # added constraint: constraint((T0332)G22.CA, (T0332)A56.CB) [> 4.1124 = 6.8541 < 8.9103] w=0.2073 to align # Constraint # added constraint: constraint((T0332)E80.CB, (T0332)L106.CB) [> 4.2432 = 7.0720 < 9.1936] w=0.2071 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)I130.CB) [> 3.7088 = 6.1813 < 8.0357] w=0.2070 to align # Constraint # added constraint: constraint((T0332)V35.CB, (T0332)V65.CB) [> 4.0528 = 6.7547 < 8.7812] w=0.2068 to align # Constraint # added constraint: constraint((T0332)G110.CA, (T0332)P131.CB) [> 4.1866 = 6.9777 < 9.0710] w=0.2061 to align # Constraint # added constraint: constraint((T0332)C25.CB, (T0332)W59.CB) [> 3.5523 = 5.9205 < 7.6967] w=0.2059 to align # Constraint # added constraint: constraint((T0332)A33.CB, (T0332)Y82.CB) [> 3.1942 = 5.3237 < 6.9208] w=0.2038 to align # Constraint # added constraint: constraint((T0332)L36.CB, (T0332)I84.CB) [> 2.9846 = 4.9743 < 6.4666] w=0.2038 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)G86.CA) [> 2.9789 = 4.9648 < 6.4542] w=0.2038 to align # Constraint # added constraint: constraint((T0332)G39.CA, (T0332)G86.CA) [> 3.4317 = 5.7195 < 7.4353] w=0.2038 to align # Constraint # added constraint: constraint((T0332)S34.CB, (T0332)L62.CB) [> 4.1169 = 6.8615 < 8.9199] w=0.2038 to align # Constraint # added constraint: constraint((T0332)L21.CB, (T0332)L70.CB) [> 3.7437 = 6.2395 < 8.1113] w=0.1992 to align # Constraint # added constraint: constraint((T0332)I9.CB, (T0332)T83.CB) [> 3.7517 = 6.2528 < 8.1286] w=0.1965 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)G86.CA) [> 3.6718 = 6.1196 < 7.9555] w=0.1965 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)G86.CA) [> 3.6362 = 6.0603 < 7.8784] w=0.1965 to align # Constraint # added constraint: constraint((T0332)I85.CB, (T0332)K104.CB) [> 3.7375 = 6.2292 < 8.0979] w=0.1951 to align # Constraint # added constraint: constraint((T0332)G22.CA, (T0332)Q50.CB) [> 3.8149 = 6.3582 < 8.2657] w=0.1908 to align # Constraint # added constraint: constraint((T0332)G23.CA, (T0332)S53.CB) [> 3.9399 = 6.5665 < 8.5365] w=0.1907 to align # Constraint # added constraint: constraint((T0332)S6.CB, (T0332)S34.CB) [> 3.6158 = 6.0264 < 7.8343] w=0.1905 to align # Constraint # added constraint: constraint((T0332)V30.CB, (T0332)A56.CB) [> 3.9265 = 6.5443 < 8.5075] w=0.1905 to align # Constraint # added constraint: constraint((T0332)T19.CB, (T0332)F49.CB) [> 3.9998 = 6.6663 < 8.6662] w=0.1903 to align # Constraint # added constraint: constraint((T0332)T27.CB, (T0332)V143.CB) [> 3.5898 = 5.9830 < 7.7779] w=0.1900 to align # Constraint # added constraint: constraint((T0332)L41.CB, (T0332)E64.CB) [> 3.8109 = 6.3514 < 8.2569] w=0.1897 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)I130.CB) [> 4.0623 = 6.7705 < 8.8017] w=0.1896 to align # Constraint # added constraint: constraint((T0332)L24.CB, (T0332)E88.CB) [> 3.7624 = 6.2707 < 8.1519] w=0.1896 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)A146.CB) [> 4.2995 = 7.1658 < 9.3156] w=0.1892 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)H142.CB) [> 3.9388 = 6.5646 < 8.5340] w=0.1892 to align # Constraint # added constraint: constraint((T0332)L107.CB, (T0332)A146.CB) [> 3.9784 = 6.6306 < 8.6198] w=0.1883 to align # Constraint # added constraint: constraint((T0332)E29.CB, (T0332)L62.CB) [> 3.3883 = 5.6471 < 7.3412] w=0.1870 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)C28.CB) [> 4.4493 = 7.4155 < 9.6401] w=0.1849 to align # Constraint # added constraint: constraint((T0332)E29.CB, (T0332)E57.CB) [> 3.7289 = 6.2148 < 8.0792] w=0.1839 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)L24.CB) [> 2.8032 = 4.6721 < 6.0737] w=0.1810 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)V87.CB) [> 3.9582 = 6.5970 < 8.5761] w=0.1804 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)C28.CB) [> 3.6015 = 6.0024 < 7.8032] w=0.1800 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)I85.CB) [> 3.5166 = 5.8609 < 7.6192] w=0.1795 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)V87.CB) [> 4.0805 = 6.8008 < 8.8410] w=0.1795 to align # Constraint # added constraint: constraint((T0332)I15.CB, (T0332)V37.CB) [> 3.8142 = 6.3570 < 8.2641] w=0.1795 to align # Constraint # added constraint: constraint((T0332)D16.CB, (T0332)F49.CB) [> 3.6061 = 6.0102 < 7.8132] w=0.1791 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)L106.CB) [> 3.7492 = 6.2486 < 8.1232] w=0.1789 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)G23.CA) [> 4.3995 = 7.3325 < 9.5323] w=0.1774 to align # Constraint # added constraint: constraint((T0332)A33.CB, (T0332)I84.CB) [> 3.5032 = 5.8387 < 7.5903] w=0.1753 to align # Constraint # added constraint: constraint((T0332)L24.CB, (T0332)G86.CA) [> 3.7106 = 6.1844 < 8.0397] w=0.1753 to align # Constraint # added constraint: constraint((T0332)G22.CA, (T0332)E57.CB) [> 4.1911 = 6.9851 < 9.0806] w=0.1735 to align # Constraint # added constraint: constraint((T0332)G23.CA, (T0332)L52.CB) [> 2.8959 = 4.8264 < 6.2744] w=0.1735 to align # Constraint # added constraint: constraint((T0332)C25.CB, (T0332)E57.CB) [> 3.3882 = 5.6470 < 7.3411] w=0.1735 to align # Constraint # added constraint: constraint((T0332)G22.CA, (T0332)V54.CB) [> 3.4023 = 5.6704 < 7.3716] w=0.1735 to align # Constraint # added constraint: constraint((T0332)C28.CB, (T0332)L62.CB) [> 3.8846 = 6.4743 < 8.4166] w=0.1732 to align # Constraint # added constraint: constraint((T0332)E29.CB, (T0332)S53.CB) [> 4.1576 = 6.9293 < 9.0081] w=0.1731 to align # Constraint # added constraint: constraint((T0332)T19.CB, (T0332)Q48.CB) [> 3.3932 = 5.6553 < 7.3519] w=0.1729 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)P67.CB) [> 3.7849 = 6.3082 < 8.2006] w=0.1729 to align # Constraint # added constraint: constraint((T0332)L41.CB, (T0332)R113.CB) [> 4.2177 = 7.0295 < 9.1383] w=0.1727 to align # Constraint # added constraint: constraint((T0332)Y99.CB, (T0332)I130.CB) [> 4.0993 = 6.8322 < 8.8819] w=0.1723 to align # Constraint # added constraint: constraint((T0332)L14.CB, (T0332)Q42.CB) [> 3.9451 = 6.5753 < 8.5478] w=0.1718 to align # Constraint # added constraint: constraint((T0332)C28.CB, (T0332)I84.CB) [> 3.9028 = 6.5046 < 8.4559] w=0.1711 to align # Constraint # added constraint: constraint((T0332)C43.CB, (T0332)E64.CB) [> 3.9920 = 6.6534 < 8.6494] w=0.1708 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)V87.CB) [> 4.0870 = 6.8117 < 8.8552] w=0.1666 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)C25.CB) [> 3.2866 = 5.4777 < 7.1210] w=0.1661 to align # Constraint # added constraint: constraint((T0332)R7.CB, (T0332)L106.CB) [> 3.9867 = 6.6445 < 8.6378] w=0.1611 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)L106.CB) [> 4.4953 = 7.4922 < 9.7399] w=0.1609 to align # Constraint # added constraint: constraint((T0332)I44.CB, (T0332)Q69.CB) [> 3.3852 = 5.6420 < 7.3346] w=0.1573 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)I84.CB) [> 4.5748 = 7.6247 < 9.9121] w=0.1570 to align # Constraint # added constraint: constraint((T0332)L14.CB, (T0332)G115.CA) [> 4.3147 = 7.1912 < 9.3486] w=0.1561 to align # Constraint # added constraint: constraint((T0332)L21.CB, (T0332)S45.CB) [> 4.0022 = 6.6704 < 8.6715] w=0.1561 to align # Constraint # added constraint: constraint((T0332)C25.CB, (T0332)F49.CB) [> 4.2307 = 7.0512 < 9.1665] w=0.1561 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)G115.CA) [> 4.4794 = 7.4656 < 9.7053] w=0.1561 to align # Constraint # added constraint: constraint((T0332)S34.CB, (T0332)V63.CB) [> 4.2407 = 7.0678 < 9.1881] w=0.1557 to align # Constraint # added constraint: constraint((T0332)G32.CA, (T0332)L60.CB) [> 4.5859 = 7.6432 < 9.9362] w=0.1555 to align # Constraint # added constraint: constraint((T0332)C43.CB, (T0332)N111.CB) [> 3.1853 = 5.3089 < 6.9016] w=0.1554 to align # Constraint # added constraint: constraint((T0332)I15.CB, (T0332)I44.CB) [> 3.6303 = 6.0505 < 7.8656] w=0.1551 to align # Constraint # added constraint: constraint((T0332)A33.CB, (T0332)A146.CB) [> 3.7999 = 6.3332 < 8.2332] w=0.1550 to align # Constraint # added constraint: constraint((T0332)G23.CA, (T0332)L139.CB) [> 3.6639 = 6.1065 < 7.9385] w=0.1550 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)P131.CB) [> 4.3187 = 7.1978 < 9.3572] w=0.1550 to align # Constraint # added constraint: constraint((T0332)E112.CB, (T0332)R137.CB) [> 4.1898 = 6.9830 < 9.0779] w=0.1550 to align # Constraint # added constraint: constraint((T0332)Q132.CB, (T0332)L148.CB) [> 3.7476 = 6.2460 < 8.1198] w=0.1550 to align # Constraint # added constraint: constraint((T0332)T90.CB, (T0332)P131.CB) [> 4.1909 = 6.9848 < 9.0803] w=0.1550 to align # Constraint # added constraint: constraint((T0332)S34.CB, (T0332)K104.CB) [> 4.2690 = 7.1150 < 9.2495] w=0.1550 to align # Constraint # added constraint: constraint((T0332)L41.CB, (T0332)E88.CB) [> 4.3638 = 7.2731 < 9.4550] w=0.1545 to align # Constraint # added constraint: constraint((T0332)L107.CB, (T0332)H142.CB) [> 4.4043 = 7.3405 < 9.5427] w=0.1539 to align # Constraint # added constraint: constraint((T0332)S40.CB, (T0332)P67.CB) [> 3.9711 = 6.6185 < 8.6040] w=0.1536 to align # Constraint # added constraint: constraint((T0332)L21.CB, (T0332)S55.CB) [> 4.1199 = 6.8665 < 8.9264] w=0.1535 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)I85.CB) [> 3.6347 = 6.0578 < 7.8752] w=0.1529 to align # Constraint # added constraint: constraint((T0332)V35.CB, (T0332)I84.CB) [> 4.5235 = 7.5392 < 9.8010] w=0.1523 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)L124.CB) [> 4.2774 = 7.1290 < 9.2677] w=0.1518 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)I84.CB) [> 4.1811 = 6.9684 < 9.0590] w=0.1469 to align # Constraint # added constraint: constraint((T0332)E29.CB, (T0332)G81.CA) [> 4.3351 = 7.2251 < 9.3926] w=0.1469 to align # Constraint # added constraint: constraint((T0332)L108.CB, (T0332)V128.CB) [> 3.6073 = 6.0122 < 7.8159] w=0.1467 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)V87.CB) [> 3.4179 = 5.6965 < 7.4054] w=0.1464 to align # Constraint # added constraint: constraint((T0332)Q132.CB, (T0332)L147.CB) [> 2.9662 = 4.9437 < 6.4268] w=0.1458 to align # Constraint # added constraint: constraint((T0332)V63.CB, (T0332)K77.CB) [> 3.7477 = 6.2462 < 8.1201] w=0.1457 to align # Constraint # added constraint: constraint((T0332)I15.CB, (T0332)C25.CB) [> 3.5648 = 5.9414 < 7.7238] w=0.1455 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)I84.CB) [> 3.4128 = 5.6879 < 7.3943] w=0.1455 to align # Constraint # added constraint: constraint((T0332)G39.CA, (T0332)E88.CB) [> 3.6524 = 6.0873 < 7.9135] w=0.1426 to align # Constraint # added constraint: constraint((T0332)N111.CB, (T0332)Q132.CB) [> 3.9477 = 6.5795 < 8.5534] w=0.1424 to align # Constraint # added constraint: constraint((T0332)S6.CB, (T0332)C100.CB) [> 4.1393 = 6.8988 < 8.9685] w=0.1417 to align # Constraint # added constraint: constraint((T0332)E29.CB, (T0332)P61.CB) [> 3.9304 = 6.5506 < 8.5157] w=0.1388 to align # Constraint # added constraint: constraint((T0332)E29.CB, (T0332)S55.CB) [> 4.4771 = 7.4618 < 9.7004] w=0.1388 to align # Constraint # added constraint: constraint((T0332)L21.CB, (T0332)D46.CB) [> 4.3579 = 7.2632 < 9.4421] w=0.1388 to align # Constraint # added constraint: constraint((T0332)G115.CA, (T0332)S138.CB) [> 4.5810 = 7.6350 < 9.9255] w=0.1387 to align # Constraint # added constraint: constraint((T0332)L24.CB, (T0332)A146.CB) [> 4.5744 = 7.6240 < 9.9113] w=0.1387 to align # Constraint # added constraint: constraint((T0332)L21.CB, (T0332)H142.CB) [> 4.7423 = 7.9038 < 10.2750] w=0.1387 to align # Constraint # added constraint: constraint((T0332)L21.CB, (T0332)S53.CB) [> 4.3951 = 7.3251 < 9.5226] w=0.1385 to align # Constraint # added constraint: constraint((T0332)C43.CB, (T0332)R113.CB) [> 2.8992 = 4.8320 < 6.2816] w=0.1381 to align # Constraint # added constraint: constraint((T0332)Q42.CB, (T0332)N111.CB) [> 4.1796 = 6.9660 < 9.0558] w=0.1381 to align # Constraint # added constraint: constraint((T0332)I84.CB, (T0332)V128.CB) [> 3.8446 = 6.4076 < 8.3299] w=0.1380 to align # Constraint # added constraint: constraint((T0332)L14.CB, (T0332)E112.CB) [> 3.9795 = 6.6325 < 8.6223] w=0.1373 to align # Constraint # added constraint: constraint((T0332)Q89.CB, (T0332)G134.CA) [> 3.6182 = 6.0303 < 7.8394] w=0.1373 to align # Constraint # added constraint: constraint((T0332)Q89.CB, (T0332)Q132.CB) [> 4.4877 = 7.4794 < 9.7233] w=0.1373 to align # Constraint # added constraint: constraint((T0332)N20.CB, (T0332)L52.CB) [> 4.5926 = 7.6543 < 9.9507] w=0.1347 to align # Constraint # added constraint: constraint((T0332)C25.CB, (T0332)V35.CB) [> 3.6253 = 6.0422 < 7.8548] w=0.1327 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)H142.CB) [> 4.0328 = 6.7214 < 8.7378] w=0.1313 to align # Constraint # added constraint: constraint((T0332)Q133.CB, (T0332)L147.CB) [> 4.1612 = 6.9354 < 9.0160] w=0.1285 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)E112.CB) [> 3.7459 = 6.2431 < 8.1160] w=0.1264 to align # Constraint # added constraint: constraint((T0332)N111.CB, (T0332)L139.CB) [> 4.2520 = 7.0868 < 9.2128] w=0.1251 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)E88.CB) [> 3.6867 = 6.1444 < 7.9877] w=0.1245 to align # Constraint # added constraint: constraint((T0332)G23.CA, (T0332)V54.CB) [> 3.4973 = 5.8288 < 7.5774] w=0.1214 to align # Constraint # added constraint: constraint((T0332)G23.CA, (T0332)A56.CB) [> 4.5405 = 7.5675 < 9.8378] w=0.1213 to align # Constraint # added constraint: constraint((T0332)I135.CB, (T0332)S144.CB) [> 3.5482 = 5.9137 < 7.6878] w=0.1203 to align # Constraint # added constraint: constraint((T0332)S6.CB, (T0332)V35.CB) [> 4.7335 = 7.8892 < 10.2559] w=0.1197 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)L36.CB) [> 3.4970 = 5.8284 < 7.5769] w=0.1197 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)V87.CB) [> 3.2417 = 5.4028 < 7.0236] w=0.1194 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)T83.CB) [> 2.2809 = 3.8016 < 4.9420] w=0.1183 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)I84.CB) [> 3.9992 = 6.6653 < 8.6649] w=0.1183 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)L106.CB) [> 4.0518 = 6.7531 < 8.7790] w=0.1167 to align # Constraint # added constraint: constraint((T0332)Q89.CB, (T0332)V141.CB) [> 3.3462 = 5.5769 < 7.2500] w=0.1142 to align # Constraint # added constraint: constraint((T0332)I15.CB, (T0332)F49.CB) [> 3.8708 = 6.4513 < 8.3867] w=0.1142 to align # Constraint # added constraint: constraint((T0332)S40.CB, (T0332)V87.CB) [> 3.5926 = 5.9876 < 7.7839] w=0.1125 to align # Constraint # added constraint: constraint((T0332)S40.CB, (T0332)G86.CA) [> 3.9318 = 6.5531 < 8.5190] w=0.1125 to align # Constraint # added constraint: constraint((T0332)S45.CB, (T0332)I71.CB) [> 4.0238 = 6.7064 < 8.7183] w=0.1123 to align # Constraint # added constraint: constraint((T0332)L108.CB, (T0332)E129.CB) [> 3.8113 = 6.3522 < 8.2579] w=0.1122 to align # Constraint # added constraint: constraint((T0332)N111.CB, (T0332)H142.CB) [> 4.5317 = 7.5527 < 9.8186] w=0.1101 to align # Constraint # added constraint: constraint((T0332)N20.CB, (T0332)N111.CB) [> 3.5423 = 5.9038 < 7.6749] w=0.1090 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)N111.CB) [> 3.7643 = 6.2739 < 8.1561] w=0.1090 to align # Constraint # added constraint: constraint((T0332)H51.CB, (T0332)I71.CB) [> 3.4456 = 5.7426 < 7.4654] w=0.1056 to align # Constraint # added constraint: constraint((T0332)T19.CB, (T0332)V54.CB) [> 3.6011 = 6.0018 < 7.8023] w=0.1041 to align # Constraint # added constraint: constraint((T0332)I5.CB, (T0332)K104.CB) [> 3.8032 = 6.3387 < 8.2403] w=0.1041 to align # Constraint # added constraint: constraint((T0332)Q89.CB, (T0332)R137.CB) [> 3.8869 = 6.4782 < 8.4217] w=0.1041 to align # Constraint # added constraint: constraint((T0332)Q89.CB, (T0332)S138.CB) [> 3.3410 = 5.5684 < 7.2389] w=0.1041 to align # Constraint # added constraint: constraint((T0332)C25.CB, (T0332)V54.CB) [> 4.2940 = 7.1567 < 9.3037] w=0.1041 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)L148.CB) [> 4.1784 = 6.9640 < 9.0531] w=0.1040 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)N111.CB) [> 2.8240 = 4.7067 < 6.1188] w=0.1038 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)G145.CA) [> 4.1050 = 6.8416 < 8.8941] w=0.1036 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)T153.CB) [> 4.5213 = 7.5354 < 9.7961] w=0.1034 to align # Constraint # added constraint: constraint((T0332)G23.CA, (T0332)V143.CB) [> 4.1729 = 6.9548 < 9.0412] w=0.1033 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)Q50.CB) [> 4.2093 = 7.0155 < 9.1201] w=0.1033 to align # Constraint # added constraint: constraint((T0332)T97.CB, (T0332)L148.CB) [> 4.3721 = 7.2868 < 9.4729] w=0.1031 to align # Constraint # added constraint: constraint((T0332)L96.CB, (T0332)Y152.CB) [> 3.3915 = 5.6526 < 7.3483] w=0.1027 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)G86.CA) [> 3.7564 = 6.2606 < 8.1388] w=0.1026 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)G86.CA) [> 3.9267 = 6.5445 < 8.5078] w=0.1026 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)V87.CB) [> 3.7403 = 6.2337 < 8.1039] w=0.1026 to align # Constraint # added constraint: constraint((T0332)R7.CB, (T0332)A33.CB) [> 3.6758 = 6.1263 < 7.9641] w=0.1018 to align # Constraint # added constraint: constraint((T0332)L14.CB, (T0332)V87.CB) [> 4.2275 = 7.0458 < 9.1595] w=0.1017 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)E88.CB) [> 4.2306 = 7.0511 < 9.1664] w=0.1012 to align # Constraint # added constraint: constraint((T0332)Q89.CB, (T0332)L109.CB) [> 2.6048 = 4.3413 < 5.6437] w=0.1006 to align # Constraint # added constraint: constraint((T0332)L124.CB, (T0332)L139.CB) [> 3.1968 = 5.3281 < 6.9265] w=0.1001 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)T27.CB) [> 3.6318 = 6.0530 < 7.8689] w=0.0995 to align # Constraint # added constraint: constraint((T0332)L14.CB, (T0332)E88.CB) [> 3.0188 = 5.0314 < 6.5408] w=0.0986 to align # Constraint # added constraint: constraint((T0332)G39.CA, (T0332)V63.CB) [> 3.7730 = 6.2883 < 8.1748] w=0.0970 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)P61.CB) [> 3.6869 = 6.1448 < 7.9882] w=0.0970 to align # Constraint # added constraint: constraint((T0332)S34.CB, (T0332)W150.CB) [> 4.6408 = 7.7346 < 10.0550] w=0.0968 to align # Constraint # added constraint: constraint((T0332)I85.CB, (T0332)V143.CB) [> 3.3641 = 5.6068 < 7.2889] w=0.0953 to align # Constraint # added constraint: constraint((T0332)G39.CA, (T0332)N140.CB) [> 2.8967 = 4.8279 < 6.2763] w=0.0953 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)S144.CB) [> 3.2317 = 5.3861 < 7.0020] w=0.0953 to align # Constraint # added constraint: constraint((T0332)V35.CB, (T0332)L147.CB) [> 3.1254 = 5.2090 < 6.7716] w=0.0953 to align # Constraint # added constraint: constraint((T0332)S34.CB, (T0332)E151.CB) [> 3.9455 = 6.5758 < 8.5485] w=0.0953 to align # Constraint # added constraint: constraint((T0332)C25.CB, (T0332)I84.CB) [> 4.1703 = 6.9506 < 9.0357] w=0.0953 to align # Constraint # added constraint: constraint((T0332)L108.CB, (T0332)H142.CB) [> 3.4159 = 5.6932 < 7.4012] w=0.0953 to align # Constraint # added constraint: constraint((T0332)L108.CB, (T0332)L139.CB) [> 3.7641 = 6.2735 < 8.1556] w=0.0953 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)L139.CB) [> 3.1534 = 5.2557 < 6.8323] w=0.0953 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)N140.CB) [> 2.7797 = 4.6329 < 6.0227] w=0.0953 to align # Constraint # added constraint: constraint((T0332)I85.CB, (T0332)L147.CB) [> 3.0919 = 5.1532 < 6.6991] w=0.0953 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)K104.CB) [> 3.3333 = 5.5555 < 7.2221] w=0.0944 to align # Constraint # added constraint: constraint((T0332)L96.CB, (T0332)N140.CB) [> 3.0414 = 5.0690 < 6.5897] w=0.0939 to align # Constraint # added constraint: constraint((T0332)C25.CB, (T0332)V37.CB) [> 4.1433 = 6.9054 < 8.9771] w=0.0939 to align # Constraint # added constraint: constraint((T0332)G110.CA, (T0332)W150.CB) [> 4.4715 = 7.4526 < 9.6883] w=0.0939 to align # Constraint # added constraint: constraint((T0332)N111.CB, (T0332)V143.CB) [> 4.2546 = 7.0911 < 9.2184] w=0.0939 to align # Constraint # added constraint: constraint((T0332)S40.CB, (T0332)E88.CB) [> 3.1638 = 5.2730 < 6.8549] w=0.0909 to align # Constraint # added constraint: constraint((T0332)G23.CA, (T0332)S55.CB) [> 3.8670 = 6.4450 < 8.3786] w=0.0867 to align # Constraint # added constraint: constraint((T0332)C25.CB, (T0332)Q50.CB) [> 4.0075 = 6.6791 < 8.6828] w=0.0867 to align # Constraint # added constraint: constraint((T0332)T27.CB, (T0332)L139.CB) [> 4.5835 = 7.6391 < 9.9309] w=0.0866 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)W150.CB) [> 4.5497 = 7.5828 < 9.8576] w=0.0860 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)I85.CB) [> 4.7050 = 7.8416 < 10.1941] w=0.0860 to align # Constraint # added constraint: constraint((T0332)A33.CB, (T0332)W59.CB) [> 4.1761 = 6.9602 < 9.0483] w=0.0850 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)V126.CB) [> 4.2915 = 7.1525 < 9.2983] w=0.0809 to align # Constraint # added constraint: constraint((T0332)K17.CB, (T0332)L52.CB) [> 3.7467 = 6.2445 < 8.1178] w=0.0798 to align # Constraint # added constraint: constraint((T0332)S34.CB, (T0332)R154.CB) [> 2.8291 = 4.7151 < 6.1296] w=0.0797 to align # Constraint # added constraint: constraint((T0332)V35.CB, (T0332)W150.CB) [> 2.8441 = 4.7401 < 6.1622] w=0.0797 to align # Constraint # added constraint: constraint((T0332)V35.CB, (T0332)R154.CB) [> 4.0437 = 6.7394 < 8.7613] w=0.0797 to align # Constraint # added constraint: constraint((T0332)L36.CB, (T0332)L147.CB) [> 4.7410 = 7.9016 < 10.2721] w=0.0797 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)V143.CB) [> 3.4676 = 5.7792 < 7.5130] w=0.0797 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)L147.CB) [> 2.4360 = 4.0600 < 5.2780] w=0.0797 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)V143.CB) [> 4.3734 = 7.2891 < 9.4758] w=0.0797 to align # Constraint # added constraint: constraint((T0332)G39.CA, (T0332)V143.CB) [> 3.4127 = 5.6879 < 7.3942] w=0.0797 to align # Constraint # added constraint: constraint((T0332)T83.CB, (T0332)W150.CB) [> 3.0898 = 5.1496 < 6.6945] w=0.0797 to align # Constraint # added constraint: constraint((T0332)G110.CA, (T0332)H142.CB) [> 2.6609 = 4.4349 < 5.7654] w=0.0797 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)H142.CB) [> 4.6062 = 7.6769 < 9.9800] w=0.0797 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)V143.CB) [> 2.6730 = 4.4551 < 5.7916] w=0.0797 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)V143.CB) [> 2.7924 = 4.6541 < 6.0503] w=0.0797 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)S105.CB) [> 4.3960 = 7.3267 < 9.5247] w=0.0791 to align # Constraint # added constraint: constraint((T0332)L108.CB, (T0332)V143.CB) [> 2.7231 = 4.5384 < 5.9000] w=0.0791 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)S105.CB) [> 4.4487 = 7.4145 < 9.6388] w=0.0782 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)K104.CB) [> 4.5358 = 7.5597 < 9.8277] w=0.0782 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)G86.CA) [> 3.9799 = 6.6332 < 8.6232] w=0.0782 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)C100.CB) [> 3.8875 = 6.4792 < 8.4229] w=0.0781 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)T83.CB) [> 4.4484 = 7.4140 < 9.6382] w=0.0737 to align # Constraint # added constraint: constraint((T0332)Q133.CB, (T0332)L148.CB) [> 3.5617 = 5.9362 < 7.7171] w=0.0726 to align # Constraint # added constraint: constraint((T0332)I5.CB, (T0332)G32.CA) [> 3.2316 = 5.3860 < 7.0017] w=0.0694 to align # Constraint # added constraint: constraint((T0332)I5.CB, (T0332)A33.CB) [> 3.9824 = 6.6374 < 8.6286] w=0.0694 to align # Constraint # added constraint: constraint((T0332)K17.CB, (T0332)Q48.CB) [> 4.7341 = 7.8902 < 10.2572] w=0.0694 to align # Constraint # added constraint: constraint((T0332)I15.CB, (T0332)H142.CB) [> 4.6309 = 7.7183 < 10.0337] w=0.0694 to align # Constraint # added constraint: constraint((T0332)V30.CB, (T0332)T153.CB) [> 4.2088 = 7.0147 < 9.1191] w=0.0694 to align # Constraint # added constraint: constraint((T0332)E29.CB, (T0332)V54.CB) [> 3.9939 = 6.6565 < 8.6535] w=0.0692 to align # Constraint # added constraint: constraint((T0332)P102.CB, (T0332)Y152.CB) [> 4.7544 = 7.9240 < 10.3012] w=0.0692 to align # Constraint # added constraint: constraint((T0332)L36.CB, (T0332)L106.CB) [> 4.6101 = 7.6835 < 9.9886] w=0.0691 to align # Constraint # added constraint: constraint((T0332)N20.CB, (T0332)V38.CB) [> 4.2122 = 7.0204 < 9.1265] w=0.0690 to align # Constraint # added constraint: constraint((T0332)L14.CB, (T0332)H142.CB) [> 3.8772 = 6.4619 < 8.4005] w=0.0690 to align # Constraint # added constraint: constraint((T0332)I85.CB, (T0332)G145.CA) [> 3.5172 = 5.8620 < 7.6206] w=0.0689 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)V63.CB) [> 4.2254 = 7.0423 < 9.1550] w=0.0688 to align # Constraint # added constraint: constraint((T0332)A56.CB, (T0332)I149.CB) [> 4.0075 = 6.6792 < 8.6830] w=0.0688 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)G110.CA) [> 3.9276 = 6.5459 < 8.5097] w=0.0688 to align # Constraint # added constraint: constraint((T0332)S40.CB, (T0332)N111.CB) [> 3.6200 = 6.0334 < 7.8434] w=0.0688 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)L107.CB) [> 3.7545 = 6.2575 < 8.1347] w=0.0687 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)V126.CB) [> 3.6996 = 6.1660 < 8.0158] w=0.0687 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)L107.CB) [> 3.2927 = 5.4879 < 7.1342] w=0.0686 to align # Constraint # added constraint: constraint((T0332)A56.CB, (T0332)A146.CB) [> 3.0601 = 5.1001 < 6.6302] w=0.0686 to align # Constraint # added constraint: constraint((T0332)T19.CB, (T0332)L139.CB) [> 3.9476 = 6.5794 < 8.5532] w=0.0685 to align # Constraint # added constraint: constraint((T0332)L36.CB, (T0332)W59.CB) [> 3.9060 = 6.5100 < 8.4629] w=0.0685 to align # Constraint # added constraint: constraint((T0332)N111.CB, (T0332)R137.CB) [> 3.3739 = 5.6232 < 7.3102] w=0.0685 to align # Constraint # added constraint: constraint((T0332)L108.CB, (T0332)V126.CB) [> 4.0087 = 6.6812 < 8.6856] w=0.0675 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)T83.CB) [> 3.8871 = 6.4786 < 8.4221] w=0.0673 to align # Constraint # added constraint: constraint((T0332)I15.CB, (T0332)E88.CB) [> 3.6221 = 6.0368 < 7.8479] w=0.0654 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)G23.CA) [> 4.0373 = 6.7289 < 8.7476] w=0.0638 to align # Constraint # added constraint: constraint((T0332)L108.CB, (T0332)G145.CA) [> 4.7329 = 7.8881 < 10.2545] w=0.0635 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)G110.CA) [> 3.0895 = 5.1491 < 6.6939] w=0.0570 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)N111.CB) [> 4.4650 = 7.4416 < 9.6741] w=0.0570 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)I121.CB) [> 4.2608 = 7.1014 < 9.2318] w=0.0570 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)G110.CA) [> 4.1945 = 6.9909 < 9.0882] w=0.0570 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)L108.CB) [> 4.4018 = 7.3363 < 9.5372] w=0.0570 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)N111.CB) [> 4.3935 = 7.3226 < 9.5193] w=0.0570 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)N111.CB) [> 4.5927 = 7.6545 < 9.9509] w=0.0570 to align # Constraint # added constraint: constraint((T0332)I85.CB, (T0332)L109.CB) [> 4.4556 = 7.4261 < 9.6539] w=0.0570 to align # Constraint # added constraint: constraint((T0332)I84.CB, (T0332)L109.CB) [> 4.0047 = 6.6744 < 8.6768] w=0.0570 to align # Constraint # added constraint: constraint((T0332)T83.CB, (T0332)L107.CB) [> 4.3539 = 7.2565 < 9.4335] w=0.0570 to align # Constraint # added constraint: constraint((T0332)G39.CA, (T0332)I85.CB) [> 4.0942 = 6.8237 < 8.8708] w=0.0570 to align # Constraint # added constraint: constraint((T0332)L21.CB, (T0332)V54.CB) [> 4.4104 = 7.3507 < 9.5559] w=0.0520 to align # Constraint # added constraint: constraint((T0332)A33.CB, (T0332)T153.CB) [> 4.5394 = 7.5656 < 9.8353] w=0.0520 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)V35.CB) [> 4.3597 = 7.2661 < 9.4460] w=0.0520 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)S144.CB) [> 4.4005 = 7.3341 < 9.5344] w=0.0520 to align # Constraint # added constraint: constraint((T0332)I136.CB, (T0332)L147.CB) [> 4.3613 = 7.2688 < 9.4495] w=0.0519 to align # Constraint # added constraint: constraint((T0332)G110.CA, (T0332)S144.CB) [> 4.7022 = 7.8370 < 10.1881] w=0.0519 to align # Constraint # added constraint: constraint((T0332)G23.CA, (T0332)A146.CB) [> 4.2344 = 7.0574 < 9.1746] w=0.0519 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)P61.CB) [> 4.1908 = 6.9847 < 9.0801] w=0.0517 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)G145.CA) [> 4.7973 = 7.9955 < 10.3941] w=0.0516 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)G145.CA) [> 4.1124 = 6.8539 < 8.9101] w=0.0516 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)I85.CB) [> 4.0825 = 6.8041 < 8.8453] w=0.0516 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)E29.CB) [> 4.7470 = 7.9117 < 10.2852] w=0.0516 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)C25.CB) [> 4.3418 = 7.2363 < 9.4073] w=0.0516 to align # Constraint # added constraint: constraint((T0332)V35.CB, (T0332)S105.CB) [> 4.2457 = 7.0761 < 9.1990] w=0.0515 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)K104.CB) [> 4.6157 = 7.6927 < 10.0006] w=0.0515 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)S105.CB) [> 3.0573 = 5.0955 < 6.6242] w=0.0515 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)K104.CB) [> 4.4423 = 7.4038 < 9.6250] w=0.0515 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)S105.CB) [> 4.1778 = 6.9630 < 9.0519] w=0.0515 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)L106.CB) [> 4.5103 = 7.5172 < 9.7723] w=0.0515 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)L106.CB) [> 4.1980 = 6.9966 < 9.0956] w=0.0515 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)L107.CB) [> 4.0372 = 6.7286 < 8.7472] w=0.0515 to align # Constraint # added constraint: constraint((T0332)R26.CB, (T0332)V143.CB) [> 3.0706 = 5.1177 < 6.6530] w=0.0514 to align # Constraint # added constraint: constraint((T0332)L36.CB, (T0332)G86.CA) [> 3.3304 = 5.5506 < 7.2158] w=0.0510 to align # Constraint # added constraint: constraint((T0332)V35.CB, (T0332)G86.CA) [> 4.0497 = 6.7494 < 8.7743] w=0.0510 to align # Constraint # added constraint: constraint((T0332)S34.CB, (T0332)I84.CB) [> 3.5335 = 5.8892 < 7.6560] w=0.0510 to align # Constraint # added constraint: constraint((T0332)S34.CB, (T0332)I85.CB) [> 3.6883 = 6.1471 < 7.9913] w=0.0510 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)C25.CB) [> 3.2121 = 5.3535 < 6.9595] w=0.0503 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)V38.CB) [> 3.3011 = 5.5018 < 7.1523] w=0.0503 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)L36.CB) [> 4.0614 = 6.7689 < 8.7996] w=0.0503 to align # Constraint # added constraint: constraint((T0332)A12.CB, (T0332)E88.CB) [> 3.9997 = 6.6662 < 8.6660] w=0.0496 to align # Constraint # added constraint: constraint((T0332)G86.CA, (T0332)L147.CB) [> 4.7548 = 7.9247 < 10.3021] w=0.0485 to align # Constraint # added constraint: constraint((T0332)T83.CB, (T0332)R154.CB) [> 4.3227 = 7.2045 < 9.3659] w=0.0485 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)V143.CB) [> 4.7297 = 7.8828 < 10.2477] w=0.0485 to align # Constraint # added constraint: constraint((T0332)G22.CA, (T0332)E88.CB) [> 3.1243 = 5.2072 < 6.7694] w=0.0470 to align # Constraint # added constraint: constraint((T0332)Q42.CB, (T0332)T97.CB) [> 3.7741 = 6.2902 < 8.1772] w=0.0468 to align # Constraint # added constraint: constraint((T0332)G22.CA, (T0332)L109.CB) [> 4.7484 = 7.9141 < 10.2883] w=0.0468 to align # Constraint # added constraint: constraint((T0332)I135.CB, (T0332)L148.CB) [> 2.7401 = 4.5668 < 5.9368] w=0.0380 to align # Constraint # added constraint: constraint((T0332)I136.CB, (T0332)L148.CB) [> 4.5304 = 7.5506 < 9.8158] w=0.0380 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)C25.CB) [> 4.0359 = 6.7265 < 8.7445] w=0.0347 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)G145.CA) [> 4.1519 = 6.9198 < 8.9957] w=0.0346 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)S144.CB) [> 3.9495 = 6.5825 < 8.5572] w=0.0346 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)L108.CB) [> 4.6503 = 7.7505 < 10.0756] w=0.0344 to align # Constraint # added constraint: constraint((T0332)L36.CB, (T0332)G145.CA) [> 4.4392 = 7.3987 < 9.6182] w=0.0344 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)L109.CB) [> 3.2506 = 5.4177 < 7.0430] w=0.0344 to align # Constraint # added constraint: constraint((T0332)G39.CA, (T0332)N111.CB) [> 3.2754 = 5.4591 < 7.0968] w=0.0344 to align # Constraint # added constraint: constraint((T0332)G22.CA, (T0332)V38.CB) [> 3.4471 = 5.7453 < 7.4688] w=0.0344 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)S105.CB) [> 3.9620 = 6.6033 < 8.5842] w=0.0344 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)S34.CB) [> 4.5332 = 7.5554 < 9.8220] w=0.0344 to align # Constraint # added constraint: constraint((T0332)V30.CB, (T0332)S55.CB) [> 4.3737 = 7.2895 < 9.4764] w=0.0344 to align # Constraint # added constraint: constraint((T0332)G22.CA, (T0332)S34.CB) [> 4.7432 = 7.9054 < 10.2770] w=0.0343 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)E88.CB) [> 3.8251 = 6.3752 < 8.2877] w=0.0340 to align # Constraint # added constraint: constraint((T0332)E88.CB, (T0332)I136.CB) [> 3.7626 = 6.2709 < 8.1522] w=0.0329 to align # Constraint # added constraint: constraint((T0332)N111.CB, (T0332)I136.CB) [> 4.3781 = 7.2969 < 9.4859] w=0.0328 to align # Constraint # added constraint: constraint((T0332)I15.CB, (T0332)V54.CB) [> 3.8410 = 6.4016 < 8.3221] w=0.0313 to align # Constraint # added constraint: constraint((T0332)G39.CA, (T0332)S144.CB) [> 4.5624 = 7.6039 < 9.8851] w=0.0312 to align # Constraint # added constraint: constraint((T0332)S40.CB, (T0332)N140.CB) [> 4.3994 = 7.3322 < 9.5319] w=0.0312 to align # Constraint # added constraint: constraint((T0332)L1.CB, (T0332)V63.CB) [> 3.7410 = 6.2350 < 8.1055] w=0.0173 to align # Constraint # added constraint: constraint((T0332)L1.CB, (T0332)P61.CB) [> 3.0091 = 5.0152 < 6.5197] w=0.0173 to align # Constraint # added constraint: constraint((T0332)L1.CB, (T0332)V37.CB) [> 4.5187 = 7.5311 < 9.7905] w=0.0173 to align # Constraint # added constraint: constraint((T0332)R26.CB, (T0332)Q48.CB) [> 4.4285 = 7.3809 < 9.5952] w=0.0173 to align # Constraint # added constraint: constraint((T0332)V30.CB, (T0332)V54.CB) [> 3.9837 = 6.6394 < 8.6313] w=0.0173 to align # Constraint # added constraint: constraint((T0332)L14.CB, (T0332)V37.CB) [> 3.3059 = 5.5099 < 7.1629] w=0.0173 to align # Constraint # added constraint: constraint((T0332)V87.CB, (T0332)L147.CB) [> 4.7933 = 7.9889 < 10.3856] w=0.0173 to align # Constraint # added constraint: constraint((T0332)L52.CB, (T0332)E114.CB) [> 4.6637 = 7.7728 < 10.1046] w=0.0173 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)N111.CB) [> 2.1695 = 3.6158 < 4.7005] w=0.0173 to align # Constraint # added constraint: constraint((T0332)R26.CB, (T0332)H51.CB) [> 4.5837 = 7.6396 < 9.9314] w=0.0173 to align # Constraint # added constraint: constraint((T0332)G39.CA, (T0332)L109.CB) [> 3.8217 = 6.3695 < 8.2804] w=0.0171 to align # Constraint # added constraint: constraint((T0332)G39.CA, (T0332)G110.CA) [> 3.2267 = 5.3778 < 6.9911] w=0.0171 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)H142.CB) [> 3.5622 = 5.9370 < 7.7181] w=0.0171 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)L109.CB) [> 4.1965 = 6.9941 < 9.0923] w=0.0171 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)L108.CB) [> 3.0557 = 5.0929 < 6.6207] w=0.0171 to align # Constraint # added constraint: constraint((T0332)L36.CB, (T0332)H142.CB) [> 3.9026 = 6.5044 < 8.4557] w=0.0171 to align # Constraint # added constraint: constraint((T0332)L36.CB, (T0332)L109.CB) [> 3.8076 = 6.3460 < 8.2498] w=0.0171 to align # Constraint # added constraint: constraint((T0332)L36.CB, (T0332)L107.CB) [> 3.0473 = 5.0788 < 6.6024] w=0.0171 to align # Constraint # added constraint: constraint((T0332)V35.CB, (T0332)L107.CB) [> 4.2237 = 7.0395 < 9.1514] w=0.0171 to align # Constraint # added constraint: constraint((T0332)V35.CB, (T0332)L106.CB) [> 3.0155 = 5.0258 < 6.5335] w=0.0171 to align # Constraint # added constraint: constraint((T0332)V35.CB, (T0332)K104.CB) [> 3.6949 = 6.1582 < 8.0057] w=0.0171 to align # Constraint # added constraint: constraint((T0332)I116.CB, (T0332)S144.CB) [> 2.8283 = 4.7139 < 6.1280] w=0.0169 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)G39.CA) [> 3.3297 = 5.5494 < 7.2143] w=0.0168 to align # Constraint # added constraint: constraint((T0332)L8.CB, (T0332)V37.CB) [> 3.8073 = 6.3455 < 8.2492] w=0.0168 to align # Constraint # added constraint: constraint((T0332)V38.CB, (T0332)K104.CB) [> 4.2880 = 7.1466 < 9.2906] w=0.0162 to align # Constraint # added constraint: constraint((T0332)L107.CB, (T0332)V143.CB) [> 2.7642 = 4.6069 < 5.9890] w=0.0162 to align # Constraint # added constraint: constraint((T0332)L14.CB, (T0332)G86.CA) [> 4.6879 = 7.8131 < 10.1571] w=0.0157 to align # Constraint # added constraint: constraint((T0332)V37.CB, (T0332)N140.CB) [> 3.5103 = 5.8505 < 7.6056] w=0.0156 to align # Constraint # added constraint: constraint((T0332)G39.CA, (T0332)I136.CB) [> 4.4225 = 7.3708 < 9.5821] w=0.0156 to align # Constraint # added constraint: constraint((T0332)T83.CB, (T0332)L147.CB) [> 3.4075 = 5.6791 < 7.3828] w=0.0156 to align # Constraint # added constraint: constraint((T0332)I85.CB, (T0332)S144.CB) [> 2.9340 = 4.8900 < 6.3570] w=0.0156 to align # Constraint # added constraint: constraint((T0332)L36.CB, (T0332)S144.CB) [> 4.6825 = 7.8042 < 10.1455] w=0.0156 to align # Constraint # added constraint: constraint((T0332)V35.CB, (T0332)G145.CA) [> 4.2599 = 7.0998 < 9.2297] w=0.0156 to align # Constraint # added constraint: constraint((T0332)V35.CB, (T0332)S144.CB) [> 3.1015 = 5.1692 < 6.7200] w=0.0156 to align # Constraint # added constraint: constraint((T0332)S34.CB, (T0332)L147.CB) [> 4.6040 = 7.6733 < 9.9753] w=0.0156 to align # Constraint # added constraint: constraint((T0332)L106.CB, (T0332)V143.CB) [> 4.1985 = 6.9974 < 9.0967] w=0.0156 to align # Constraint # added constraint: constraint((T0332)V10.CB, (T0332)E88.CB) [> 3.9223 = 6.5372 < 8.4984] w=0.0156 to align # Constraint # added constraint: constraint((T0332)V11.CB, (T0332)E88.CB) [> 3.9982 = 6.6636 < 8.6627] w=0.0156 to align # Constraint # added constraint: constraint((T0332)S13.CB, (T0332)E114.CB) [> 4.7468 = 7.9114 < 10.2848] w=0.0035 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0332/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0332/decoys/ # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 T0332 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 T0332 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 T0332 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 T0332 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 T0332 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 T0332 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 T0332 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 T0332 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 T0332 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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 T0332 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 # Found a chain break before 125 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 66 # 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 53 # 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 88 # 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 68 # 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 67 # 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 142 # 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 125 # 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 138 # 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 156 # 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 127 # 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 # naming current conformation Bilab-ENABLE_TS2 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS3 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS4 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS5 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 158 # 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 T0332 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 T0332 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 T0332 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 T0332 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # 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 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 T0332 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 T0332 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 T0332 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 T0332 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 122 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # 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 T0332 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 151 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 123 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS2 # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 109 # 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 81 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 T0332 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 T0332 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 81 # 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 149 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 158 # 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 68 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # 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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 T0332 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 130 # 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 131 # 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 158 # 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 155 # 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 141 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 66 # 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 T0332 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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 T0332 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 T0332 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 T0332 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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS1 # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # naming current conformation LOOPP_TS2 # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # 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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS4 # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 40 # 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 41 # 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 # 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 43 # 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 39 # 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 # 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 51 # 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 # 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 43 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 138 # 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 149 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # naming current conformation NN_PUT_lab_TS1 # 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 # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 T0332 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 T0332 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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 T0332 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 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 93 # 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 64 # 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 67 # 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 66 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS3 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 67 # 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 88 # 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 30 # 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 69 # 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 86 # 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 69 # 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 68 # 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 40 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS4 # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 68 # 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 81 # 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 63 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 Skipped atom 494, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 496, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 498, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 504, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 518, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 520, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 522, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 524, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 526, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 528, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 530, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 532, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 T0332 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 T0332 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 T0332 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 T0332 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # 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 140 # 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 T0332 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 T0332 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 T0332 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 T0332 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 # naming current conformation SP3_TS1 # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 103 # 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 81 # 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 91 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 156 # 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 81 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS1 # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS2 # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 39 # 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 66 # 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 91 # 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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 T0332 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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL3 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 93 # 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 103 # 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 102 # 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 102 # 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 # 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 158 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL2 # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 Skipped atom 494, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 496, 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 500, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 504, 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 508, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 512, 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 516, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 518, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 520, 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 524, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 526, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 528, 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 532, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz # WARNING: incomplete conformation T0332 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 T0332 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 # 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 155 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # Found a chain break before 39 # 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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 105 # 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 105 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 110 # 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 T0332 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 T0332 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 T0332 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 T0332 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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 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 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation panther2_TS1 # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # command:Using radius: 8.0000 Using models AND alignments for constraints model score -0.1803 model score -0.1102 model score -0.2120 model score -0.1989 model score -0.1410 model score -0.1777 model score -0.2452 model score -0.2182 model score -0.2153 model score -0.2350 model score -0.1852 model score 0.0120 model score 0.0293 model score -0.1042 model score -0.2272 model score -0.2600 model score -0.3049 model score 0.1869 model score -0.2351 model score -0.2269 model score 1.8282 model score 1.4685 model score 1.6822 model score 1.6842 model score 1.5633 model score -0.2397 model score -0.0184 model score -0.0230 model score -0.0232 model score -0.0222 model score -0.0175 model score -0.2457 model score -0.2110 model score -0.2413 model score -0.2265 model score -0.2358 model score -0.2136 model score -0.2298 model score -0.2254 model score 0.1883 model score -0.2308 model score -0.2548 model score 1.2745 model score 1.2757 model score 1.2769 model score 1.2749 model score 1.2758 model score -0.2234 model score 0.0522 model score -0.2011 model score -0.2054 model score -0.0997 model score -0.2300 model score -0.2234 model score -0.2358 model score -0.2457 model score -0.2413 model score -0.2548 model score -0.3189 model score 0.0453 model score -0.2615 model score -0.2269 model score 1.2753 model score 1.2755 model score 1.2753 model score 1.2755 model score 1.2753 model score 1.2755 model score 1.2753 model score 1.2755 model score 1.2753 model score 1.2753 model score 2.2607 model score 2.3391 model score 2.2805 model score 1.9210 model score 2.5171 model score -0.2589 model score -0.2413 model score -0.2245 model score 0.7212 model score 1.2756 model score 1.2755 model score 1.2755 model score 1.2755 model score 1.2769 model score 1.2747 model score -0.1984 model score -0.1327 model score -0.2513 model score -0.2378 model score -0.2083 model score -0.2244 model score -0.2397 model score -0.2397 model score -0.2370 model score -0.1418 model score -0.1976 model score -0.0406 model score 0.0248 model score -0.0554 model score -0.1100 model score -0.2011 model score -0.1864 model score 0.0046 model score -0.2407 model score -0.2299 model score -0.2414 model score -0.0880 model score -0.0039 model score -0.2420 model score -0.2229 model score -0.2414 model score -0.0880 model score -0.0039 model score -0.2730 model score 1.2166 model score -0.2424 model score -0.2399 model score -0.2478 model score -0.2415 model score -0.2485 model score -0.2509 model score -0.2399 model score -0.2099 model score -0.1761 model score -0.2073 model score -0.2305 model score -0.2140 model score -0.2172 model score -0.2172 model score -0.2206 model score -0.2078 model score -0.2314 model score -0.2285 model score -0.2273 model score -0.2273 model score -0.2273 model score -0.2273 model score -0.2277 model score -0.1924 model score -0.2172 model score -0.2172 model score -0.2172 model score -0.2158 model score -0.2203 model score -0.2294 model score -0.2428 model score -0.2158 model score -0.2143 model score -0.2161 model score -0.1994 model score -0.1362 model score 0.2450 model score -0.2231 model score -0.2404 model score -0.2185 model score -0.2262 model score 0.1761 model score -0.1483 model score -0.2081 model score -0.2367 model score -0.2409 model score -0.2277 model score -0.1373 model score -0.1538 model score 0.0927 model score -0.1812 model score -0.1611 model score 1.2756 model score 1.2753 model score 1.2755 model score 1.2749 model score 1.2753 model score 1.2752 model score 1.2750 model score 1.2753 model score 1.2753 model score 1.2753 model score -0.1484 model score -0.1732 model score -0.1667 model score -0.1475 model score -0.1142 model score -0.2424 model score -0.2234 model score -0.2398 model score -0.0768 model score 0.1303 model score -0.2424 model score -0.2261 model score -0.2398 model score 0.1254 model score -0.0768 model score -0.2424 model score -0.2261 model score 0.1780 model score -0.2369 model score -0.0797 model score 1.2753 model score 1.2755 model score 1.2772 model score 1.2753 model score 1.2755 model score -0.2071 model score 1.2753 model score 1.2755 model score 1.2772 model score 1.2753 model score 1.2755 model score -0.2687 model score -0.2832 model score -0.2805 model score -0.3025 model score -0.2548 model score -0.2201 model score -0.2080 model score 1.2774 model score 1.2753 model score 1.2756 model score 1.2755 model score 1.2741 model score -0.2600 model score -0.2490 model score -0.2272 model score -0.2531 model score -0.2475 model score -0.2367 model score 0.1989 model score -0.2115 model score 1.4637 model score 0.5867 model score -0.2133 model score -0.2133 model score -0.2133 model score -0.1948 model score -0.1943 model score -0.2361 model score -0.0258 model score -0.1123 model score -0.2361 model score -0.0881 model score -0.2120 model score -0.1386 model score -0.2459 USE_META, weight: 0.9560 cost: -0.1803 min: -0.3189 max: 2.5171 USE_META, weight: 0.9337 cost: -0.1102 min: -0.3189 max: 2.5171 USE_META, weight: 0.9661 cost: -0.2120 min: -0.3189 max: 2.5171 USE_META, weight: 0.9619 cost: -0.1989 min: -0.3189 max: 2.5171 USE_META, weight: 0.9435 cost: -0.1410 min: -0.3189 max: 2.5171 USE_META, weight: 0.9552 cost: -0.1777 min: -0.3189 max: 2.5171 USE_META, weight: 0.9766 cost: -0.2452 min: -0.3189 max: 2.5171 USE_META, weight: 0.9680 cost: -0.2182 min: -0.3189 max: 2.5171 USE_META, weight: 0.9671 cost: -0.2153 min: -0.3189 max: 2.5171 USE_META, weight: 0.9734 cost: -0.2350 min: -0.3189 max: 2.5171 USE_META, weight: 0.9576 cost: -0.1852 min: -0.3189 max: 2.5171 USE_META, weight: 0.8950 cost: 0.0120 min: -0.3189 max: 2.5171 USE_META, weight: 0.8895 cost: 0.0293 min: -0.3189 max: 2.5171 USE_META, weight: 0.9319 cost: -0.1042 min: -0.3189 max: 2.5171 USE_META, weight: 0.9709 cost: -0.2272 min: -0.3189 max: 2.5171 USE_META, weight: 0.9813 cost: -0.2600 min: -0.3189 max: 2.5171 USE_META, weight: 0.9955 cost: -0.3049 min: -0.3189 max: 2.5171 USE_META, weight: 0.8395 cost: 0.1869 min: -0.3189 max: 2.5171 USE_META, weight: 0.9734 cost: -0.2351 min: -0.3189 max: 2.5171 USE_META, weight: 0.9708 cost: -0.2269 min: -0.3189 max: 2.5171 USE_META, weight: 0.3186 cost: 1.8282 min: -0.3189 max: 2.5171 USE_META, weight: 0.4328 cost: 1.4685 min: -0.3189 max: 2.5171 USE_META, weight: 0.3650 cost: 1.6822 min: -0.3189 max: 2.5171 USE_META, weight: 0.3643 cost: 1.6842 min: -0.3189 max: 2.5171 USE_META, weight: 0.4027 cost: 1.5633 min: -0.3189 max: 2.5171 USE_META, weight: 0.9749 cost: -0.2397 min: -0.3189 max: 2.5171 USE_META, weight: 0.9046 cost: -0.0184 min: -0.3189 max: 2.5171 USE_META, weight: 0.9061 cost: -0.0230 min: -0.3189 max: 2.5171 USE_META, weight: 0.9061 cost: -0.0232 min: -0.3189 max: 2.5171 USE_META, weight: 0.9058 cost: -0.0222 min: -0.3189 max: 2.5171 USE_META, weight: 0.9044 cost: -0.0175 min: -0.3189 max: 2.5171 USE_META, weight: 0.9767 cost: -0.2457 min: -0.3189 max: 2.5171 USE_META, weight: 0.9658 cost: -0.2110 min: -0.3189 max: 2.5171 USE_META, weight: 0.9754 cost: -0.2413 min: -0.3189 max: 2.5171 USE_META, weight: 0.9707 cost: -0.2265 min: -0.3189 max: 2.5171 USE_META, weight: 0.9736 cost: -0.2358 min: -0.3189 max: 2.5171 USE_META, weight: 0.9666 cost: -0.2136 min: -0.3189 max: 2.5171 USE_META, weight: 0.9717 cost: -0.2298 min: -0.3189 max: 2.5171 USE_META, weight: 0.9703 cost: -0.2254 min: -0.3189 max: 2.5171 USE_META, weight: 0.8390 cost: 0.1883 min: -0.3189 max: 2.5171 USE_META, weight: 0.9720 cost: -0.2308 min: -0.3189 max: 2.5171 USE_META, weight: 0.9796 cost: -0.2548 min: -0.3189 max: 2.5171 USE_META, weight: 0.4943 cost: 1.2745 min: -0.3189 max: 2.5171 USE_META, weight: 0.4939 cost: 1.2757 min: -0.3189 max: 2.5171 USE_META, weight: 0.4936 cost: 1.2769 min: -0.3189 max: 2.5171 USE_META, weight: 0.4942 cost: 1.2749 min: -0.3189 max: 2.5171 USE_META, weight: 0.4939 cost: 1.2758 min: -0.3189 max: 2.5171 USE_META, weight: 0.9697 cost: -0.2234 min: -0.3189 max: 2.5171 USE_META, weight: 0.8822 cost: 0.0522 min: -0.3189 max: 2.5171 USE_META, weight: 0.9626 cost: -0.2011 min: -0.3189 max: 2.5171 USE_META, weight: 0.9640 cost: -0.2054 min: -0.3189 max: 2.5171 USE_META, weight: 0.9304 cost: -0.0997 min: -0.3189 max: 2.5171 USE_META, weight: 0.9718 cost: -0.2300 min: -0.3189 max: 2.5171 USE_META, weight: 0.9697 cost: -0.2234 min: -0.3189 max: 2.5171 USE_META, weight: 0.9736 cost: -0.2358 min: -0.3189 max: 2.5171 USE_META, weight: 0.9767 cost: -0.2457 min: -0.3189 max: 2.5171 USE_META, weight: 0.9754 cost: -0.2413 min: -0.3189 max: 2.5171 USE_META, weight: 0.9796 cost: -0.2548 min: -0.3189 max: 2.5171 USE_META, weight: 1.0000 cost: -0.3189 min: -0.3189 max: 2.5171 USE_META, weight: 0.8844 cost: 0.0453 min: -0.3189 max: 2.5171 USE_META, weight: 0.9818 cost: -0.2615 min: -0.3189 max: 2.5171 USE_META, weight: 0.9708 cost: -0.2269 min: -0.3189 max: 2.5171 USE_META, weight: 0.4941 cost: 1.2753 min: -0.3189 max: 2.5171 USE_META, weight: 0.4940 cost: 1.2755 min: -0.3189 max: 2.5171 USE_META, weight: 0.4941 cost: 1.2753 min: -0.3189 max: 2.5171 USE_META, weight: 0.4940 cost: 1.2755 min: -0.3189 max: 2.5171 USE_META, weight: 0.4941 cost: 1.2753 min: -0.3189 max: 2.5171 USE_META, weight: 0.4940 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USE_META, weight: 0.4941 cost: 1.2753 min: -0.3189 max: 2.5171 USE_META, weight: 0.4941 cost: 1.2753 min: -0.3189 max: 2.5171 USE_META, weight: 0.9459 cost: -0.1484 min: -0.3189 max: 2.5171 USE_META, weight: 0.9538 cost: -0.1732 min: -0.3189 max: 2.5171 USE_META, weight: 0.9517 cost: -0.1667 min: -0.3189 max: 2.5171 USE_META, weight: 0.9456 cost: -0.1475 min: -0.3189 max: 2.5171 USE_META, weight: 0.9350 cost: -0.1142 min: -0.3189 max: 2.5171 USE_META, weight: 0.9757 cost: -0.2424 min: -0.3189 max: 2.5171 USE_META, weight: 0.9697 cost: -0.2234 min: -0.3189 max: 2.5171 USE_META, weight: 0.9749 cost: -0.2398 min: -0.3189 max: 2.5171 USE_META, weight: 0.9232 cost: -0.0768 min: -0.3189 max: 2.5171 USE_META, weight: 0.8574 cost: 0.1303 min: -0.3189 max: 2.5171 USE_META, weight: 0.9757 cost: -0.2424 min: -0.3189 max: 2.5171 USE_META, weight: 0.9705 cost: -0.2261 min: -0.3189 max: 2.5171 USE_META, weight: 0.9749 cost: -0.2398 min: -0.3189 max: 2.5171 USE_META, weight: 0.8590 cost: 0.1254 min: 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cost: 1.2753 min: -0.3189 max: 2.5171 USE_META, weight: 0.4940 cost: 1.2755 min: -0.3189 max: 2.5171 USE_META, weight: 0.9841 cost: -0.2687 min: -0.3189 max: 2.5171 USE_META, weight: 0.9887 cost: -0.2832 min: -0.3189 max: 2.5171 USE_META, weight: 0.9878 cost: -0.2805 min: -0.3189 max: 2.5171 USE_META, weight: 0.9948 cost: -0.3025 min: -0.3189 max: 2.5171 USE_META, weight: 0.9796 cost: -0.2548 min: -0.3189 max: 2.5171 USE_META, weight: 0.9686 cost: -0.2201 min: -0.3189 max: 2.5171 USE_META, weight: 0.9648 cost: -0.2080 min: -0.3189 max: 2.5171 USE_META, weight: 0.4934 cost: 1.2774 min: -0.3189 max: 2.5171 USE_META, weight: 0.4941 cost: 1.2753 min: -0.3189 max: 2.5171 USE_META, weight: 0.4940 cost: 1.2756 min: -0.3189 max: 2.5171 USE_META, weight: 0.4940 cost: 1.2755 min: -0.3189 max: 2.5171 USE_META, weight: 0.4945 cost: 1.2741 min: -0.3189 max: 2.5171 USE_META, weight: 0.9813 cost: -0.2600 min: -0.3189 max: 2.5171 USE_META, weight: 0.9778 cost: -0.2490 min: -0.3189 max: 2.5171 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-0.3189 max: 2.5171 USE_META, weight: 0.9737 cost: -0.2361 min: -0.3189 max: 2.5171 USE_META, weight: 0.9268 cost: -0.0881 min: -0.3189 max: 2.5171 USE_META, weight: 0.9661 cost: -0.2120 min: -0.3189 max: 2.5171 USE_META, weight: 0.9428 cost: -0.1386 min: -0.3189 max: 2.5171 USE_META, weight: 0.9768 cost: -0.2459 min: -0.3189 max: 2.5171 USE_EVALUE, weight: 0.9670 eval: 1.4721 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9670 eval: 1.4721 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9670 eval: 1.4721 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9987 eval: 0.0575 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9987 eval: 0.0575 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9987 eval: 0.0575 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9999 eval: 0.0032 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9999 eval: 0.0032 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9999 eval: 0.0032 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9887 eval: 0.5051 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9887 eval: 0.5051 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9887 eval: 0.5051 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9723 eval: 1.2322 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9723 eval: 1.2322 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9723 eval: 1.2322 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9915 eval: 0.3794 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9915 eval: 0.3794 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9915 eval: 0.3794 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9802 eval: 0.8801 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9802 eval: 0.8801 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9802 eval: 0.8801 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9056 eval: 4.2044 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9056 eval: 4.2044 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9056 eval: 4.2044 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9968 eval: 0.1441 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9968 eval: 0.1441 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9968 eval: 0.1441 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.8997 eval: 4.4681 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.8997 eval: 4.4681 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.8997 eval: 4.4681 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9946 eval: 0.2391 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9946 eval: 0.2391 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9946 eval: 0.2391 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9831 eval: 0.7518 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9831 eval: 0.7518 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9831 eval: 0.7518 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9910 eval: 0.4017 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9910 eval: 0.4017 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9910 eval: 0.4017 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.8987 eval: 4.5131 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.8987 eval: 4.5131 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.8987 eval: 4.5131 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9313 eval: 3.0630 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9313 eval: 3.0630 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9313 eval: 3.0630 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9977 eval: 0.1046 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9977 eval: 0.1046 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9977 eval: 0.1046 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9986 eval: 0.0609 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9986 eval: 0.0609 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9986 eval: 0.0609 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9844 eval: 0.6936 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9844 eval: 0.6936 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.9844 eval: 0.6936 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.1000 eval: 40.1000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.1000 eval: 40.1000 min: 0.0000 max: 40.1000 USE_EVALUE, weight: 0.1000 eval: 40.1000 min: 0.0000 max: 40.1000 Number of contacts in models: 245 Number of contacts in alignments: 75 NUMB_ALIGNS: 75 Adding 4453 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: -284.7621, CN propb: -284.7621 weights: 0.3450 constraints: 707 # command:Found ConstraintSet # PrintContacts align.constraints_meta03 Number of constraints in align3.constraints 707 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta03 Number of constraints in align3.constraints.bonus 707 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta03 Number of constraints in rejected3.constraints 3746 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta03 Number of constraints in rejected3.constraints.bonus 3746 # 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 4453 # command: