# 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/T0326/ # command:# Making conformation for sequence T0326 numbered 1 through 304 Created new target T0326 from T0326.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0326/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0326//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0326/manyalignments-good-all.under or /projects/compbio/experiments/protein-predict/casp7/T0326//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0326/manyalignments-good-all.under.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0326/manyalignments-good-all.under # reading script from file /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0326/manyalignments-good-all.under # Reading fragments from alignment file # Attempting to read fragment alignments from file 2ghrA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2ghrA expands to /projects/compbio/data/pdb/2ghr.pdb.gz 2ghrA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0326 read from 2ghrA/merged-good-all-a2m # 2ghrA read from 2ghrA/merged-good-all-a2m # adding 2ghrA to template set # found chain 2ghrA in template set Warning: unaligning (T0326)K17 because first residue in template chain is (2ghrA)E17 Warning: unaligning (T0326)V65 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ghrA)S87 Warning: unaligning (T0326)K87 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ghrA)S87 Warning: unaligning (T0326)T296 because last residue in template chain is (2ghrA)T297 T0326 18 :EGIFVMTEKRAIHQDIRPLEILILNLMPDKIKTEI 2ghrA 18 :ENIFVMTKERAETQDIRALKIAILNLMPTKQETEA # choosing archetypes in rotamer library T0326 53 :QLLR 2ghrA 59 :GNTP T0326 57 :LLGNTPLQ 2ghrA 66 :DVHLLHME T0326 88 :FYTTFSAVKDRKFDGFIITGAPVELLPFEEVDYWEELTEIMEWSRHNVYSTMFICWAAQAGLYYFYGIPKYELPQKLSGVYKHRVAKDS 2ghrA 88 :FYKTFRDIENEKFDGLIITGAPVETLSFEEVDYWEELKRIMEYSKTNVTSTLHICWGAQAGLYHHYGVQKYPLKEKMFGVFEHEVREQH T0326 177 :VLFRGHDDFFWAPHSRYTEVKKEDIDKVPELEILAESDEAGVYVVANKSERQIFVTGHPEYDRYTLRDEYYRDIGRNLKVPIPANYFPNDDPTKTPILTWWSHAHLFFSNWLNYCIYQK 2ghrA 178 :KLLQGFDELFFAPHSRHTEVRESDIREVKELTLLANSEEAGVHLVIGQEGRQVFALGHSEYSCDTLKQEYERDRDKGLNIDVPKNYFKHDNPNEKPLVRWRSHGNLLFSNWLNYYVYQE Number of specific fragments extracted= 5 number of extra gaps= 0 total=5 Number of alignments=1 # 2ghrA read from 2ghrA/merged-good-all-a2m # found chain 2ghrA in template set Warning: unaligning (T0326)K17 because first residue in template chain is (2ghrA)E17 Warning: unaligning (T0326)T74 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ghrA)S87 Warning: unaligning (T0326)K87 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ghrA)S87 Warning: unaligning (T0326)T296 because last residue in template chain is (2ghrA)T297 T0326 18 :EGIFVMTEKRAIHQDIRPLEILILNLMPDKIKTEIQLLRLLGNTPLQVNVTLLYTE 2ghrA 18 :ENIFVMTKERAETQDIRALKIAILNLMPTKQETEAQLLRLIGNTPLQLDVHLLHME T0326 88 :FYTTFSAVKDRKFDGFIITGAPVELLPFEEVDYWEELTEIMEWSRHNVYSTMFICWAAQAGLYYFYGIPKYELPQKLSGVYKHRVAKDS 2ghrA 88 :FYKTFRDIENEKFDGLIITGAPVETLSFEEVDYWEELKRIMEYSKTNVTSTLHICWGAQAGLYHHYGVQKYPLKEKMFGVFEHEVREQH T0326 177 :VLFRGHDDFFWAPHSRYTEVKKEDIDKVPELEILAESDEAGVYVVANKSERQIFVTGHPEYDRYTLRDEYYRDIGRNLKVPIPANYFPNDDPTKTPILTWWSHAHLFFSNWLNYCIYQK 2ghrA 178 :KLLQGFDELFFAPHSRHTEVRESDIREVKELTLLANSEEAGVHLVIGQEGRQVFALGHSEYSCDTLKQEYERDRDKGLNIDVPKNYFKHDNPNEKPLVRWRSHGNLLFSNWLNYYVYQE Number of specific fragments extracted= 3 number of extra gaps= 0 total=8 Number of alignments=2 # 2ghrA read from 2ghrA/merged-good-all-a2m # found chain 2ghrA in template set Warning: unaligning (T0326)K17 because first residue in template chain is (2ghrA)E17 Warning: unaligning (T0326)T74 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ghrA)S87 Warning: unaligning (T0326)K87 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ghrA)S87 Warning: unaligning (T0326)T296 because last residue in template chain is (2ghrA)T297 T0326 18 :EGIFVMTEKRAIHQDIRPLEILILNLMPDKIKTEIQLLRLLGNTPLQVNVTLLYTE 2ghrA 18 :ENIFVMTKERAETQDIRALKIAILNLMPTKQETEAQLLRLIGNTPLQLDVHLLHME T0326 88 :FYTTFSAVKDRKFDGFIITGAPVELLPFEEVDYWEELTEIMEWSRHNVYSTMFICWAAQAGLYYFYGIPKYELPQKLSGVYKHRVAKD 2ghrA 88 :FYKTFRDIENEKFDGLIITGAPVETLSFEEVDYWEELKRIMEYSKTNVTSTLHICWGAQAGLYHHYGVQKYPLKEKMFGVFEHEVREQ T0326 176 :SVLFRGHDDFFWAPHSRYTEVKKEDIDKVPELEILAESDEAGVYVVANKSERQIFVTGHPEYDRYTLRDEYYRDIGRNLKVPIPANYFPNDDPTKTPILTWWSHAHLFFSNWLNYCIYQK 2ghrA 177 :VKLLQGFDELFFAPHSRHTEVRESDIREVKELTLLANSEEAGVHLVIGQEGRQVFALGHSEYSCDTLKQEYERDRDKGLNIDVPKNYFKHDNPNEKPLVRWRSHGNLLFSNWLNYYVYQE Number of specific fragments extracted= 3 number of extra gaps= 0 total=11 Number of alignments=3 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1r9gA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1r9gA expands to /projects/compbio/data/pdb/1r9g.pdb.gz 1r9gA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0326 read from 1r9gA/merged-good-all-a2m # 1r9gA read from 1r9gA/merged-good-all-a2m # adding 1r9gA to template set # found chain 1r9gA in template set Warning: unaligning (T0326)L55 because first residue in template chain is (1r9gA)M1 T0326 56 :RLLGNTPLQVNVTLL 1r9gA 2 :LTIGVLGLQGAVREH T0326 72 :TETHKPKHTPIEHI 1r9gA 17 :IHAIEACGAAGLVV T0326 90 :TTFSAVK 1r9gA 31 :KRPEQLN T0326 99 :KFDGFIITGAPVE 1r9gA 38 :EVDGLILPGGEST T0326 116 :EEVDYWEE 1r9gA 51 :TMRRLIDT T0326 124 :LTEIMEWSRHNVYSTMFICWAAQAGL 1r9gA 61 :FMEPLREFAAQGKPMFGTCAGLIILA T0326 153 :YGI 1r9gA 90 :AGS T0326 157 :KYELPQKL 1r9gA 104 :VERNSFGR T0326 165 :SGVYKHRVA 1r9gA 113 :VDSFEADLT T0326 179 :FRGHDDFFWA 1r9gA 122 :IKGLDEPFTG T0326 193 :YTEVK 1r9gA 132 :VFIRA T0326 199 :EDIDKVPE 1r9gA 137 :PHILEAGE T0326 207 :LEILAESDEA 1r9gA 146 :VEVLSEHNGR T0326 218 :VYVVANKS 1r9gA 156 :IVAAKQGQ T0326 228 :QIFVTGHPEYDRYT 1r9gA 164 :FLGCSFHPELTEDH T0326 278 :S 1r9gA 178 :R T0326 280 :AHLFFSNWLNYC 1r9gA 179 :VTQLFVEMVEEY Number of specific fragments extracted= 17 number of extra gaps= 0 total=28 Number of alignments=4 # 1r9gA read from 1r9gA/merged-good-all-a2m # found chain 1r9gA in template set Warning: unaligning (T0326)P35 because first residue in template chain is (1r9gA)M1 T0326 36 :LEILILNLMPD 1r9gA 2 :LTIGVLGLQGA T0326 48 :IKTEIQLLRLLG 1r9gA 13 :VREHIHAIEACG T0326 63 :LQ 1r9gA 25 :AA T0326 69 :LLYTE 1r9gA 27 :GLVVK T0326 91 :TFS 1r9gA 32 :RPE T0326 96 :KDRKFDGFIITGAPV 1r9gA 35 :QLNEVDGLILPGGES T0326 115 :FEEVDYWEE 1r9gA 50 :TTMRRLIDT T0326 124 :LTEIMEWSRHNVYSTMFICWAAQAGL 1r9gA 61 :FMEPLREFAAQGKPMFGTCAGLIILA T0326 155 :IPKYELPQKLSGVYKHRVAKD 1r9gA 87 :KEIAGSDNPHLGLLNVVVERN T0326 178 :LFRGHDDFFWAPHSRYTEV 1r9gA 121 :TIKGLDEPFTGVFIRAPHI T0326 205 :PELEILAESDEAGVYVVA 1r9gA 144 :ENVEVLSEHNGRIVAAKQ T0326 226 :ERQIFVTGHPEYD 1r9gA 162 :GQFLGCSFHPELT T0326 239 :RYTLRDEYYRDIGRNL 1r9gA 180 :TQLFVEMVEEYKQKAL Number of specific fragments extracted= 13 number of extra gaps= 0 total=41 Number of alignments=5 # 1r9gA read from 1r9gA/merged-good-all-a2m # found chain 1r9gA in template set Warning: unaligning (T0326)P35 because first residue in template chain is (1r9gA)M1 T0326 36 :LEILILNLMPDKI 1r9gA 2 :LTIGVLGLQGAVR T0326 53 :QLLRLLGNTPLQVN 1r9gA 15 :EHIHAIEACGAAGL T0326 71 :YTE 1r9gA 29 :VVK T0326 81 :PIEHI 1r9gA 32 :RPEQL T0326 98 :RKFDGFIITGAP 1r9gA 37 :NEVDGLILPGGE T0326 115 :FEEVDYWEELTEIM 1r9gA 56 :IDTYQFMEPLREFA T0326 133 :HNVYSTMFICWAAQAGLYYFYG 1r9gA 70 :AQGKPMFGTCAGLIILAKEIAG T0326 160 :LPQKLSGVYKHRVA 1r9gA 92 :SDNPHLGLLNVVVE T0326 174 :KDS 1r9gA 111 :RQV T0326 179 :FRGHDDFF 1r9gA 122 :IKGLDEPF T0326 189 :PHSRYTEVK 1r9gA 135 :RAPHILEAG T0326 205 :PELEILAESDEAGVYVVA 1r9gA 144 :ENVEVLSEHNGRIVAAKQ T0326 226 :ERQIFVTGHPEYDR 1r9gA 162 :GQFLGCSFHPELTE T0326 240 :YTLRDEYYRDIGRNLK 1r9gA 180 :TQLFVEMVEEYKQKAL Number of specific fragments extracted= 14 number of extra gaps= 0 total=55 Number of alignments=6 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1o1yA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0326 read from 1o1yA/merged-good-all-a2m # 1o1yA read from 1o1yA/merged-good-all-a2m # found chain 1o1yA in training set Warning: unaligning (T0326)I52 because first residue in template chain is (1o1yA)H-2 Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1o1yA)L89 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1o1yA)L89 T0326 53 :QLLRLLGNTPLQVNVTLLYTETHKPKHTPIEHI 1o1yA -1 :HHVRVLAIRHVEIEDLGMMEDIFREKNWSFDYL T0326 86 :LKFYTTFSA 1o1yA 37 :EKLERPLEE T0326 100 :FDGFIITGAPVELLPFEEVDYWEELTEIMEWSRHNVYSTMF 1o1yA 46 :YSLVVLLGGYMGAYEEEKYPFLKYEFQLIEEILKKEIPFLG T0326 144 :AAQAGLYYF 1o1yA 90 :GSQMLAKVL T0326 154 :GIPKYELPQKL 1o1yA 99 :GASVYRGKNGE T0326 165 :SGVYKHRVAKDSVLFRGHDDFFWA 1o1yA 111 :IGWYFVEKVSDNKFFREFPDRLRV T0326 193 :YTEVK 1o1yA 135 :FQWHG T0326 200 :DIDKVPE 1o1yA 140 :DTFDLPR T0326 207 :LEILAESDEAGVYVVANKS 1o1yA 148 :ATRVFTSEKYENQGFVYGK T0326 228 :QIFVTGHPEYDRYTLRDEYYRD 1o1yA 167 :AVGLQFHIEVGARTMKRWIEAY T0326 250 :IGRN 1o1yA 191 :ELEK T0326 269 :TKTPILTWWSHAHLFFSNWLNYCIY 1o1yA 195 :KKIDPRLLLETAEREEKVLKGLLRS Number of specific fragments extracted= 12 number of extra gaps= 0 total=67 Number of alignments=7 # 1o1yA read from 1o1yA/merged-good-all-a2m # found chain 1o1yA in training set Warning: unaligning (T0326)I33 because first residue in template chain is (1o1yA)H-2 Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1o1yA)L89 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1o1yA)L89 T0326 34 :RPLEILILNLMPDK 1o1yA -1 :HHVRVLAIRHVEIE T0326 48 :IKTEIQLLRLLG 1o1yA 14 :LGMMEDIFREKN T0326 65 :VNVTLLYTE 1o1yA 26 :WSFDYLDTP T0326 74 :THKPKH 1o1yA 36 :GEKLER T0326 96 :KDRKFDGFIITGAPVELLPFEEVDYWEELTEIMEWSRHNVYSTMF 1o1yA 42 :PLEEYSLVVLLGGYMGAYEEEKYPFLKYEFQLIEEILKKEIPFLG T0326 144 :AAQAGLYYFYGIPKYELPQKLSGVYKHRVAKDSVLFRGHDDFFWA 1o1yA 90 :GSQMLAKVLGASVYRGKNGEEIGWYFVEKVSDNKFFREFPDRLRV T0326 194 :TEVKKEDIDKVPELEILAESDEAGVYVVANKS 1o1yA 135 :FQWHGDTFDLPRRATRVFTSEKYENQGFVYGK T0326 228 :QIFVTGHPEYDRYTLRDEYY 1o1yA 167 :AVGLQFHIEVGARTMKRWIE T0326 248 :R 1o1yA 189 :K T0326 249 :DIGR 1o1yA 191 :ELEK T0326 269 :TKTPILTWWSHAHL 1o1yA 195 :KKIDPRLLLETAER T0326 283 :FFSNWLNYCI 1o1yA 216 :LLRSLLERMV Number of specific fragments extracted= 12 number of extra gaps= 0 total=79 Number of alignments=8 # 1o1yA read from 1o1yA/merged-good-all-a2m # found chain 1o1yA in training set Warning: unaligning (T0326)I33 because first residue in template chain is (1o1yA)H-2 Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1o1yA)L89 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1o1yA)L89 T0326 34 :RPLEILILNLMPDKI 1o1yA -1 :HHVRVLAIRHVEIED T0326 53 :QLLRLLGNT 1o1yA 16 :MMEDIFREK T0326 64 :QVNVTLLYTETHKPKHTPIE 1o1yA 25 :NWSFDYLDTPKGEKLERPLE T0326 99 :KFDGFIITGAPVELLPFEEVDYWEELTEIMEWSRHNVYSTMF 1o1yA 45 :EYSLVVLLGGYMGAYEEEKYPFLKYEFQLIEEILKKEIPFLG T0326 144 :AAQAGLY 1o1yA 90 :GSQMLAK T0326 152 :FYGIPKYELP 1o1yA 97 :VLGASVYRGK T0326 162 :QKLSGVYKHRVAKDSVLFRGHDDFFWAPHSRYTEVK 1o1yA 108 :GEEIGWYFVEKVSDNKFFREFPDRLRVFQWHGDTFD T0326 203 :KVPELEILAESDEAGVYVVANKS 1o1yA 144 :LPRRATRVFTSEKYENQGFVYGK T0326 228 :QIFVTGHPEYDRYTLRDEYYR 1o1yA 167 :AVGLQFHIEVGARTMKRWIEA Number of specific fragments extracted= 9 number of extra gaps= 0 total=88 Number of alignments=9 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vcnA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0326/1vcnA/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0326/1vcnA/merged-good-all-a2m.gz for input Trying 1vcnA/merged-good-all-a2m Error: Couldn't open file 1vcnA/merged-good-all-a2m or 1vcnA/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1jvnA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1jvnA expands to /projects/compbio/data/pdb/1jvn.pdb.gz 1jvnA:Bad short name: CI for alphabet: pdb_atoms Bad short name: NI for alphabet: pdb_atoms Bad short name: CJ for alphabet: pdb_atoms Bad short name: OJ1 for alphabet: pdb_atoms Bad short name: OJ2 for alphabet: pdb_atoms Bad short name: CF for alphabet: pdb_atoms Bad short name: OF for alphabet: pdb_atoms Bad short name: NX for alphabet: pdb_atoms # T0326 read from 1jvnA/merged-good-all-a2m # 1jvnA read from 1jvnA/merged-good-all-a2m # adding 1jvnA to template set # found chain 1jvnA in template set Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1jvnA)V84 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jvnA)V84 Warning: unaligning (T0326)Q162 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1jvnA)P120 Warning: unaligning (T0326)K163 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jvnA)P120 Warning: unaligning (T0326)I273 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jvnA)L276 T0326 53 :QLLRLLGNTPLQVNVTLLYTETHKPKHTPIEHI 1jvnA -2 :SHMPVVHVIDVESGNLQSLTNAIEHLGYEVQLV T0326 90 :TTFSAVKDRKFDGFII 1jvnA 32 :KSPKDFNISGTSRLIL T0326 107 :GAPVE 1jvnA 48 :PGVGN T0326 115 :FEEV 1jvnA 53 :YGHF T0326 121 :WEE 1jvnA 57 :VDN T0326 124 :LTEIMEWSRHNVYSTMF 1jvnA 65 :FEKPIREYIESGKPIMG T0326 144 :AAQ 1jvnA 85 :GLQ T0326 156 :PKYELP 1jvnA 108 :KLSRFD T0326 164 :LSGVYKHRVAKDSVL 1jvnA 121 :EIGWNSCIPSENLFF T0326 181 :GHDDFFWA 1jvnA 136 :GLDPYKRY T0326 191 :SRYTEVK 1jvnA 144 :YFVHSFA T0326 199 :EDID 1jvnA 151 :AILN T0326 205 :PELEIL 1jvnA 164 :DGWKIA T0326 211 :AESDEAGVYVVANKS 1jvnA 171 :AKYGSEEFIAAVNKN T0326 227 :RQIFVTGHPEYD 1jvnA 186 :NIFATQFHPEKS T0326 240 :YTLRDEYYRDIGRNLKVPIPA 1jvnA 198 :GKAGLNVIENFLKQQSPPIPN T0326 263 :FP 1jvnA 219 :YS T0326 274 :LTWWSHAHLFFS 1jvnA 277 :GKPVQLAQKYYQ Number of specific fragments extracted= 18 number of extra gaps= 1 total=106 Number of alignments=10 # 1jvnA read from 1jvnA/merged-good-all-a2m # found chain 1jvnA in template set Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1jvnA)V84 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jvnA)V84 Warning: unaligning (T0326)Q162 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1jvnA)P120 Warning: unaligning (T0326)K163 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jvnA)P120 Warning: unaligning (T0326)I273 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1jvnA)I344 Warning: unaligning (T0326)L274 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1jvnA)I344 T0326 36 :LEILILNLMPDKIKTEIQLLRLLG 1jvnA 2 :PVVHVIDVESGNLQSLTNAIEHLG T0326 65 :VNVTLL 1jvnA 26 :YEVQLV T0326 90 :TTFSAVKDRKFDGFIITG 1jvnA 32 :KSPKDFNISGTSRLILPG T0326 108 :AP 1jvnA 51 :GN T0326 115 :FEEV 1jvnA 53 :YGHF T0326 119 :DYWEE 1jvnA 59 :NLFNR T0326 124 :LTEIMEWSRHNVYSTMF 1jvnA 65 :FEKPIREYIESGKPIMG T0326 144 :AAQ 1jvnA 85 :GLQ T0326 153 :YGIP 1jvnA 97 :PKST T0326 157 :KYELP 1jvnA 114 :DSEKP T0326 164 :LSGVYKHRVAKDSVLFRGHDDFFWAPHSRYTEVKKEDIDKVP 1jvnA 121 :EIGWNSCIPSENLFFGLDPYKRYYFVHSFAAILNSEKKKNLE T0326 206 :ELEI 1jvnA 165 :GWKI T0326 210 :LAESDEAGVYVVANKS 1jvnA 170 :KAKYGSEEFIAAVNKN T0326 227 :RQIFVTGHPEYDRYTLRDEYYRDIGRNL 1jvnA 186 :NIFATQFHPEKSGKAGLNVIENFLKQQS T0326 256 :VPIPANY 1jvnA 214 :PPIPNYS T0326 268 :PTKTP 1jvnA 338 :DVDGT T0326 275 :TWWSHAHLFFS 1jvnA 345 :PALEVASLYFR Number of specific fragments extracted= 17 number of extra gaps= 2 total=123 Number of alignments=11 # 1jvnA read from 1jvnA/merged-good-all-a2m # found chain 1jvnA in template set Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1jvnA)V84 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jvnA)V84 Warning: unaligning (T0326)Q162 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1jvnA)P120 Warning: unaligning (T0326)K163 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jvnA)P120 T0326 37 :EILILNLMPDKIKTEIQLLRLLG 1jvnA 3 :VVHVIDVESGNLQSLTNAIEHLG T0326 65 :VNVTLLYTETHKPK 1jvnA 26 :YEVQLVKSPKDFNI T0326 98 :RKFDGFIITGAPV 1jvnA 40 :SGTSRLILPGVGN T0326 117 :EVDYWEELTEIME 1jvnA 62 :NRGFEKPIREYIE T0326 134 :NVYSTMF 1jvnA 75 :SGKPIMG T0326 144 :AAQA 1jvnA 85 :GLQA T0326 153 :YGIPKYEL 1jvnA 97 :PKSTGLNY T0326 161 :P 1jvnA 118 :P T0326 164 :LSGVYKHRVAKDS 1jvnA 121 :EIGWNSCIPSENL T0326 179 :FRGHDDFF 1jvnA 134 :FFGLDPYK T0326 187 :WAPHSRYTEVKKEDIDKV 1jvnA 144 :YFVHSFAAILNSEKKKNL T0326 205 :PELEIL 1jvnA 164 :DGWKIA T0326 211 :AE 1jvnA 171 :AK T0326 213 :SDEAGVYVVANKS 1jvnA 174 :GSEEFIAAVNKNN T0326 228 :QIFVTGHPEYDRYTLRDEYYRDIGRNLK 1jvnA 187 :IFATQFHPEKSGKAGLNVIENFLKQQSP T0326 257 :PIPAN 1jvnA 215 :PIPNY Number of specific fragments extracted= 16 number of extra gaps= 1 total=139 Number of alignments=12 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1rw7A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0326 read from 1rw7A/merged-good-all-a2m # 1rw7A read from 1rw7A/merged-good-all-a2m # found chain 1rw7A in training set Warning: unaligning (T0326)Y89 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1rw7A)I88 Warning: unaligning (T0326)G107 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rw7A)G107 Warning: unaligning (T0326)A108 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1rw7A)G107 Warning: unaligning (T0326)S131 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1rw7A)Y128 Warning: unaligning (T0326)R132 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1rw7A)Y128 T0326 35 :PLEILILNLMPDKI 1rw7A 3 :PKKVLLALTSYNDV T0326 62 :PLQVNVT 1rw7A 17 :FYSDGAK T0326 69 :LLYTETHKPKHTPIEHI 1rw7A 32 :LHPFNTFRKEGFEVDFV T0326 87 :KF 1rw7A 49 :SE T0326 90 :TTFSAVKDRKFDGFIIT 1rw7A 89 :KTPKEVNADDYQIFFAS T0326 109 :PVE 1rw7A 108 :HGT T0326 115 :FEEVDYWEELTEIMEW 1rw7A 111 :LFDYPKAKDLQDIASE T0326 133 :HNVYSTMFICWA 1rw7A 129 :ANGGVVAAVCHG T0326 152 :FYGI 1rw7A 144 :FDGL T0326 157 :KYELPQKLSG 1rw7A 197 :KYLAPVGPWD Number of specific fragments extracted= 10 number of extra gaps= 3 total=149 Number of alignments=13 # 1rw7A read from 1rw7A/merged-good-all-a2m # found chain 1rw7A in training set Warning: unaligning (T0326)R34 because first residue in template chain is (1rw7A)A2 Warning: unaligning (T0326)F88 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1rw7A)I88 Warning: unaligning (T0326)Y89 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1rw7A)I88 Warning: unaligning (T0326)G107 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rw7A)G107 Warning: unaligning (T0326)A108 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1rw7A)G107 Warning: unaligning (T0326)S131 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1rw7A)Y128 Warning: unaligning (T0326)R132 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1rw7A)Y128 Warning: unaligning (T0326)G233 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rw7A)N220 Warning: unaligning (T0326)H234 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1rw7A)N220 Warning: unaligning (T0326)Y247 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rw7A)A234 T0326 35 :PLEILILNLM 1rw7A 3 :PKKVLLALTS T0326 45 :PDKIKTE 1rw7A 19 :SDGAKTG T0326 52 :IQLLRLLG 1rw7A 35 :FNTFRKEG T0326 65 :VNVTLLYTET 1rw7A 43 :FEVDFVSETG T0326 78 :KHTPIEH 1rw7A 53 :KFGWDEH T0326 85 :ILK 1rw7A 84 :TLA T0326 90 :TTFSAVKDRKFDGFIIT 1rw7A 89 :KTPKEVNADDYQIFFAS T0326 117 :EVDYWEELTEIMEW 1rw7A 113 :DYPKAKDLQDIASE T0326 133 :HNVYSTMFICWA 1rw7A 129 :ANGGVVAAVCHG T0326 151 :YFYGIPKYE 1rw7A 143 :IFDGLTDKK T0326 175 :DS 1rw7A 152 :TG T0326 177 :VLFRG 1rw7A 155 :PLIEG T0326 184 :DFFWA 1rw7A 160 :KSITG T0326 189 :PHSRYTEVKKED 1rw7A 183 :NLATVEDVAKKY T0326 206 :ELEILAESDEAGVYVVANKS 1rw7A 195 :GAKYLAPVGPWDDYSITDGR T0326 229 :IFVT 1rw7A 215 :LVTG T0326 235 :PEYDRYTLRDEY 1rw7A 221 :PASAHSTAVRSI Number of specific fragments extracted= 17 number of extra gaps= 5 total=166 Number of alignments=14 # 1rw7A read from 1rw7A/merged-good-all-a2m # found chain 1rw7A in training set Warning: unaligning (T0326)R34 because first residue in template chain is (1rw7A)A2 Warning: unaligning (T0326)F88 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1rw7A)I88 Warning: unaligning (T0326)Y89 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1rw7A)I88 Warning: unaligning (T0326)G107 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rw7A)G107 Warning: unaligning (T0326)A108 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1rw7A)G107 Warning: unaligning (T0326)S131 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1rw7A)Y128 Warning: unaligning (T0326)R132 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1rw7A)Y128 Warning: unaligning (T0326)Y237 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rw7A)N220 Warning: unaligning (T0326)D238 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1rw7A)N220 Warning: unaligning (T0326)G251 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rw7A)A234 Warning: unaligning (T0326)R252 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1rw7A)A234 Warning: unaligning (T0326)L254 because last residue in template chain is (1rw7A)K236 T0326 35 :PLEILILN 1rw7A 3 :PKKVLLAL T0326 43 :LMPDKI 1rw7A 17 :FYSDGA T0326 49 :KTEIQLLRLLGNTPLQVNVT 1rw7A 29 :VEALHPFNTFRKEGFEVDFV T0326 69 :LLYTETHK 1rw7A 54 :FGWDEHSL T0326 77 :PKHTPIEHILK 1rw7A 76 :NKDSDFNKTLA T0326 90 :TTFSAVKDRKFDGFIIT 1rw7A 89 :KTPKEVNADDYQIFFAS T0326 117 :EVDYWEELTEIMEW 1rw7A 113 :DYPKAKDLQDIASE T0326 133 :HNVYSTMFICWA 1rw7A 129 :ANGGVVAAVCHG T0326 151 :YFYGIPKY 1rw7A 143 :IFDGLTDK T0326 173 :AKDSVLFRGHD 1rw7A 151 :KTGRPLIEGKS T0326 188 :APHS 1rw7A 162 :ITGF T0326 193 :YTEV 1rw7A 172 :ILGV T0326 198 :KEDIDKVP 1rw7A 176 :DSILKAKN T0326 206 :ELEILAESDEAGVYVVANKS 1rw7A 195 :GAKYLAPVGPWDDYSITDGR T0326 230 :FVTG 1rw7A 215 :LVTG T0326 239 :RYTLRDEYYRDI 1rw7A 221 :PASAHSTAVRSI T0326 253 :N 1rw7A 235 :L Number of specific fragments extracted= 17 number of extra gaps= 5 total=183 Number of alignments=15 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ka9H/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ka9H expands to /projects/compbio/data/pdb/1ka9.pdb.gz 1ka9H:# T0326 read from 1ka9H/merged-good-all-a2m # 1ka9H read from 1ka9H/merged-good-all-a2m # adding 1ka9H to template set # found chain 1ka9H in template set Warning: unaligning (T0326)R56 because first residue in template chain is (1ka9H)M3 T0326 57 :LLGNTPLQVNVTLLYTETHKPKHTPIEHILKFYTT 1ka9H 4 :KALLIDYGSGNLRSAAKALEAAGFSVAVAQDPKAH T0326 98 :RKFDGFII 1ka9H 39 :EEADLLVL T0326 107 :GAPVE 1ka9H 47 :PGQGH T0326 115 :FEEV 1ka9H 52 :FGQV T0326 121 :WEE 1ka9H 56 :MRA T0326 124 :LTEIMEWSRHNVYSTMFICWAAQ 1ka9H 64 :FVERVRRHLERGLPFLGICVGMQ T0326 153 :YGI 1ka9H 96 :PGV T0326 156 :PKYELPQK 1ka9H 107 :EVRRFRAG T0326 164 :LSGVYKHRV 1ka9H 118 :QMGWNALEF T0326 176 :SVLFRGH 1ka9H 127 :GGAFAPL T0326 184 :DFFWA 1ka9H 134 :TGRHF T0326 191 :SRYTEVK 1ka9H 139 :YFANSYY T0326 201 :I 1ka9H 146 :G T0326 203 :KVPE 1ka9H 147 :PLTP T0326 207 :LEILAESDEAGVYVVANKS 1ka9H 152 :SLGKGEYEGTPFTALLAKE T0326 227 :RQIFVTGHPEYD 1ka9H 171 :NLLAPQFHPEKS T0326 240 :YTLRDEYYRDI 1ka9H 183 :GKAGLAFLALA Number of specific fragments extracted= 17 number of extra gaps= 0 total=200 Number of alignments=16 # 1ka9H read from 1ka9H/merged-good-all-a2m # found chain 1ka9H in template set Warning: unaligning (T0326)L36 because first residue in template chain is (1ka9H)M3 T0326 37 :EILILNLMPDKIKTEIQLLRLLG 1ka9H 4 :KALLIDYGSGNLRSAAKALEAAG T0326 65 :VNVTLLYTET 1ka9H 27 :FSVAVAQDPK T0326 96 :KDRKFDGFIITGAPV 1ka9H 37 :AHEEADLLVLPGQGH T0326 115 :FEE 1ka9H 52 :FGQ T0326 120 :YWEE 1ka9H 55 :VMRA T0326 124 :LTEIMEWSRHNVYSTMFICWAAQ 1ka9H 64 :FVERVRRHLERGLPFLGICVGMQ T0326 152 :FYGIP 1ka9H 95 :APGVR T0326 157 :KYELPQKLSGVYKHRVA 1ka9H 111 :FRAGRVPQMGWNALEFG T0326 177 :VLFRGH 1ka9H 128 :GAFAPL T0326 183 :DDFFWAPHSRY 1ka9H 135 :GRHFYFANSYY T0326 201 :IDKVPELEILAESDEAGVYVVANK 1ka9H 146 :GPLTPYSLGKGEYEGTPFTALLAK T0326 226 :ERQIFVTGHPEYDRYTLRDEYYRDIG 1ka9H 170 :ENLLAPQFHPEKSGKAGLAFLALARR Number of specific fragments extracted= 12 number of extra gaps= 0 total=212 Number of alignments=17 # 1ka9H read from 1ka9H/merged-good-all-a2m # found chain 1ka9H in template set Warning: unaligning (T0326)L36 because first residue in template chain is (1ka9H)M3 T0326 37 :EILILNLMPDKI 1ka9H 4 :KALLIDYGSGNL T0326 52 :IQLLRLLGNTPLQVNVT 1ka9H 16 :RSAAKALEAAGFSVAVA T0326 75 :HKPKHT 1ka9H 33 :QDPKAH T0326 98 :RKFDGFIITGAPV 1ka9H 39 :EEADLLVLPGQGH T0326 114 :PFEEVDYWEELTEIME 1ka9H 58 :AFQESGFVERVRRHLE T0326 134 :NVYSTMFICWAAQ 1ka9H 74 :RGLPFLGICVGMQ T0326 153 :YGIPKYEL 1ka9H 96 :PGVRGLGL T0326 161 :PQKLSGVYKHRVAKDSVLFRGHD 1ka9H 115 :RVPQMGWNALEFGGAFAPLTGRH T0326 186 :FWAPHSRYT 1ka9H 138 :FYFANSYYG T0326 202 :DKVPELEILAESDEAGVYVVANK 1ka9H 147 :PLTPYSLGKGEYEGTPFTALLAK T0326 226 :ERQIFVTGHPEYDRYTLRDEYYRDIG 1ka9H 170 :ENLLAPQFHPEKSGKAGLAFLALARR Number of specific fragments extracted= 11 number of extra gaps= 0 total=223 Number of alignments=18 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1gpwB/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1gpwB expands to /projects/compbio/data/pdb/1gpw.pdb.gz 1gpwB:# T0326 read from 1gpwB/merged-good-all-a2m # 1gpwB read from 1gpwB/merged-good-all-a2m # adding 1gpwB to template set # found chain 1gpwB in template set Warning: unaligning (T0326)L55 because first residue in template chain is (1gpwB)M1 T0326 56 :RLLGNTPLQVNVTLL 1gpwB 2 :RIGIISVGPGNIMNL T0326 71 :YTETHKPK 1gpwB 19 :GVKRASEN T0326 79 :HTPIEHILKFYTT 1gpwB 29 :DVSIELVESPRND T0326 99 :KFDGFII 1gpwB 42 :LYDLLFI T0326 107 :GAPVEL 1gpwB 49 :PGVGHF T0326 115 :FEEVDYWEE 1gpwB 55 :GEGMRRLRE T0326 124 :LTEIMEWSRHNVYSTMFICWAAQAG 1gpwB 66 :LIDFVRKHVEDERYVVGVCLGMQLL T0326 155 :I 1gpwB 91 :F T0326 157 :KYEL 1gpwB 112 :KLRS T0326 161 :PQKLSGVYKHRVAKD 1gpwB 117 :RLPHMGWNEVIFKDT T0326 182 :H 1gpwB 132 :F T0326 184 :DFFWA 1gpwB 133 :PNGYY T0326 191 :SRYTEVK 1gpwB 138 :YFVHTYR T0326 199 :EDID 1gpwB 145 :AVCE T0326 205 :PE 1gpwB 149 :EE T0326 207 :LEILAESDEAG 1gpwB 152 :VLGTTEYDGEI T0326 218 :VYVVANKS 1gpwB 164 :PSAVRKGR T0326 228 :QIFVTGHPEYDR 1gpwB 172 :ILGFQFHPEKSS T0326 278 :SHAHLFFSNWLNY 1gpwB 184 :KIGRKLLEKVIEC Number of specific fragments extracted= 19 number of extra gaps= 0 total=242 Number of alignments=19 # 1gpwB read from 1gpwB/merged-good-all-a2m # found chain 1gpwB in template set Warning: unaligning (T0326)L36 because first residue in template chain is (1gpwB)M1 T0326 37 :EILILNLMPDKIKTEIQLLRLL 1gpwB 2 :RIGIISVGPGNIMNLYRGVKRA T0326 59 :GNTP 1gpwB 26 :NFED T0326 65 :VNVTLLYT 1gpwB 30 :VSIELVES T0326 95 :VKDRKFDGFIITGA 1gpwB 38 :PRNDLYDLLFIPGV T0326 109 :PV 1gpwB 53 :HF T0326 115 :FEEVDYWEE 1gpwB 55 :GEGMRRLRE T0326 124 :LTEIMEWSRHNVYSTMFICWAAQ 1gpwB 66 :LIDFVRKHVEDERYVVGVCLGMQ T0326 157 :KYELPQKLSGVYKHRVAKD 1gpwB 113 :LRSRRLPHMGWNEVIFKDT T0326 182 :H 1gpwB 132 :F T0326 183 :DDFFWAPHSRYTEVKKED 1gpwB 134 :NGYYYFVHTYRAVCEEEH T0326 209 :ILAES 1gpwB 152 :VLGTT T0326 214 :DEAG 1gpwB 159 :DGEI T0326 218 :VYVVAN 1gpwB 164 :PSAVRK T0326 226 :ERQIFVTGHPEYDRYTLRDEYYRDIGRNLK 1gpwB 170 :GRILGFQFHPEKSSKIGRKLLEKVIECSLS Number of specific fragments extracted= 14 number of extra gaps= 0 total=256 Number of alignments=20 # 1gpwB read from 1gpwB/merged-good-all-a2m # found chain 1gpwB in template set Warning: unaligning (T0326)L36 because first residue in template chain is (1gpwB)M1 Warning: unaligning (T0326)V256 because last residue in template chain is (1gpwB)R200 T0326 37 :EILILNLMPDKIKTEIQLLRLLGNTPLQVNVTLLYTETHK 1gpwB 2 :RIGIISVGPGNIMNLYRGVKRASENFEDVSIELVESPRND T0326 99 :KFDGFIITGAPV 1gpwB 42 :LYDLLFIPGVGH T0326 115 :FEEVDYWEELTEIM 1gpwB 61 :LRENDLIDFVRKHV T0326 133 :HNVYSTMFICWAAQ 1gpwB 75 :EDERYVVGVCLGMQ T0326 156 :PKYELPQKLSGVYKHRVAKDSV 1gpwB 112 :KLRSRRLPHMGWNEVIFKDTFP T0326 183 :DDFFWAPHSRYTEVKKED 1gpwB 134 :NGYYYFVHTYRAVCEEEH T0326 207 :LEI 1gpwB 152 :VLG T0326 210 :LAESDEAGVYVVANK 1gpwB 156 :TEYDGEIFPSAVRKG T0326 227 :RQIFVTGHPEYDRYTLRDEYYRDIGRNLK 1gpwB 171 :RILGFQFHPEKSSKIGRKLLEKVIECSLS Number of specific fragments extracted= 9 number of extra gaps= 0 total=265 Number of alignments=21 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2cmd/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2cmd expands to /projects/compbio/data/pdb/2cmd.pdb.gz 2cmd:Warning: there is no chain 2cmd will retry with 2cmdA # T0326 read from 2cmd/merged-good-all-a2m # 2cmd read from 2cmd/merged-good-all-a2m # adding 2cmd to template set # found chain 2cmd in template set Warning: unaligning (T0326)G154 because of BadResidue code BAD_PEPTIDE in next template residue (2cmd)V137 Warning: unaligning (T0326)I155 because of BadResidue code BAD_PEPTIDE at template residue (2cmd)V137 T0326 12 :VKVLAKE 2cmd 17 :ALLLKTQ T0326 44 :MPD 2cmd 24 :LPS T0326 55 :LRLLGNTPLQVNVTLLYTET 2cmd 27 :GSELSLYDIAPVTPGVAVDL T0326 75 :HKPKHTPIEHI 2cmd 48 :HIPTAVKIKGF T0326 88 :FYTTFSAVK 2cmd 59 :SGEDATPAL T0326 98 :RKFDGFIITGAPVEL 2cmd 68 :EGADVVLISAGVRRK T0326 113 :LPFEEV 2cmd 85 :MDRSDL T0326 121 :WEE 2cmd 91 :FNV T0326 124 :LTEIMEWSRHN 2cmd 98 :VKNLVQQVAKT T0326 135 :VYSTMFI 2cmd 110 :PKACIGI T0326 144 :AAQAGLYYF 2cmd 124 :TVAIAAEVL T0326 153 :Y 2cmd 135 :A T0326 182 :HDDFFWAP 2cmd 165 :QPGEVEVP T0326 190 :HSRYTEVK 2cmd 177 :HSGVTILP T0326 200 :DIDKVPE 2cmd 185 :LLSQVPG T0326 237 :YDRYTLRD 2cmd 194 :FTEQEVAD T0326 245 :EYYRDIGRNL 2cmd 212 :EVVEAKAGGG T0326 271 :TPILTWWSHAHLFFSNWLNYCI 2cmd 222 :SATLSMGQAAARFGLSLVRALQ Number of specific fragments extracted= 18 number of extra gaps= 1 total=283 Number of alignments=22 # 2cmd read from 2cmd/merged-good-all-a2m # found chain 2cmd in template set T0326 34 :RPLEILILNLMPD 2cmd 26 :SGSELSLYDIAPV T0326 51 :EIQLLRLLGNTPLQVNVTLLYTET 2cmd 39 :TPGVAVDLSHIPTAVKIKGFSGED T0326 92 :FSAV 2cmd 63 :ATPA T0326 97 :DRKFDGFIITGA 2cmd 67 :LEGADVVLISAG T0326 109 :PVELLPFEEV 2cmd 81 :RKPGMDRSDL T0326 121 :WEE 2cmd 91 :FNV T0326 124 :LTEIMEWSRHN 2cmd 98 :VKNLVQQVAKT T0326 135 :VYSTMFI 2cmd 110 :PKACIGI T0326 144 :AAQAGLYY 2cmd 124 :TVAIAAEV T0326 152 :FYGIPKYELPQKLSGVY 2cmd 161 :LKGKQPGEVEVPVIGGH T0326 183 :DDFFWAP 2cmd 178 :SGVTILP T0326 200 :DIDKVPELE 2cmd 185 :LLSQVPGVS T0326 237 :YDRYTLRDEYYR 2cmd 194 :FTEQEVADLTKR T0326 250 :I 2cmd 213 :V T0326 251 :GRN 2cmd 216 :AKA T0326 268 :PTKTPILTWWSHAHLFFSNWLNYCI 2cmd 219 :GGGSATLSMGQAAARFGLSLVRALQ Number of specific fragments extracted= 16 number of extra gaps= 0 total=299 Number of alignments=23 # 2cmd read from 2cmd/merged-good-all-a2m # found chain 2cmd in template set Warning: unaligning (T0326)G154 because of BadResidue code BAD_PEPTIDE in next template residue (2cmd)V137 Warning: unaligning (T0326)I155 because of BadResidue code BAD_PEPTIDE at template residue (2cmd)V137 T0326 36 :LEILILNLMPDKIKTEIQ 2cmd 28 :SELSLYDIAPVTPGVAVD T0326 58 :LGNTPLQVNVTLLY 2cmd 46 :LSHIPTAVKIKGFS T0326 78 :KHTPIEHI 2cmd 60 :GEDATPAL T0326 98 :RKFDGFIITGAPVEL 2cmd 68 :EGADVVLISAGVRRK T0326 113 :LPFEEV 2cmd 85 :MDRSDL T0326 119 :DYWEELTEIMEWSRHNV 2cmd 93 :VNAGIVKNLVQQVAKTC T0326 136 :YSTMFICWAAQAGLYYFY 2cmd 118 :TNPVNTTVAIAAEVLKKA T0326 159 :ELPQKLSGVY 2cmd 138 :YDKNKLFGVT T0326 177 :VLFRGHDDFFWAP 2cmd 160 :ELKGKQPGEVEVP T0326 190 :HSRYT 2cmd 177 :HSGVT T0326 201 :IDKVPELE 2cmd 186 :LSQVPGVS T0326 237 :YDRYTLRDEYYRDIGRN 2cmd 194 :FTEQEVADLTKRIQNAG T0326 267 :DPTKTPILTWWSHAHLFFSNWLNYC 2cmd 218 :AGGGSATLSMGQAAARFGLSLVRAL Number of specific fragments extracted= 13 number of extra gaps= 1 total=312 Number of alignments=24 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1t3tA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1t3tA expands to /projects/compbio/data/pdb/1t3t.pdb.gz 1t3tA:Bad short name: N1 for alphabet: pdb_atoms Bad short name: CA1 for alphabet: pdb_atoms Bad short name: CB1 for alphabet: pdb_atoms Bad short name: C1 for alphabet: pdb_atoms Bad short name: O1 for alphabet: pdb_atoms Bad short name: O2 for alphabet: pdb_atoms # T0326 read from 1t3tA/merged-good-all-a2m # 1t3tA read from 1t3tA/merged-good-all-a2m # adding 1t3tA to template set # found chain 1t3tA in template set Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1t3tA)N1136 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1t3tA)N1136 T0326 13 :KVLAKEGIFVMT 1t3tA 1007 :EAKANDTDPGLN T0326 25 :EKRAIHQDI 1t3tA 1031 :APYIATGAR T0326 55 :LRLLGNTPLQVNVTLLYTETHKPKHTPIEHIL 1t3tA 1040 :PKVAVLREQGVNSHVEMAAAFHRAGFDAIDVH T0326 92 :FSAVKDR 1t3tA 1072 :MSDLLGG T0326 99 :KFDGFIITGAPV 1t3tA 1084 :NFHALVACGGFS T0326 115 :FEEV 1t3tA 1096 :YGDV T0326 120 :YWEELTEIMEWSRHNV 1t3tA 1112 :FNHRVRDEFETFFHRP T0326 136 :YSTMF 1t3tA 1129 :TLALG T0326 144 :AAQAGL 1t3tA 1137 :GCQMMS T0326 153 :YGI 1t3tA 1149 :PGS T0326 156 :PKYELPQK 1t3tA 1156 :RFVRNHSD T0326 164 :LSGVYKHRVAK 1t3tA 1166 :EARFSLVEVTQ T0326 175 :DSVLFRGHD 1t3tA 1178 :PSLLLQGMV T0326 185 :FFWAPHSRYTEVKKEDID 1t3tA 1187 :GSQMPIAVSHGEGRVEVR T0326 205 :PE 1t3tA 1215 :KG T0326 207 :LEILAESDEA 1t3tA 1218 :VALRYVDNFG T0326 217 :GVYVVANKSERQIFVTGHPEYDRY 1t3tA 1243 :GITAVTTENGRVTIMMPHPERVFR T0326 252 :RNLK 1t3tA 1267 :TVAN T0326 261 :NYFPNDDPTKTPILTWWSHAHLFF 1t3tA 1271 :SWHPENWGEDSPWMRIFRNARKQL Number of specific fragments extracted= 19 number of extra gaps= 0 total=331 Number of alignments=25 # 1t3tA read from 1t3tA/merged-good-all-a2m # found chain 1t3tA in template set Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1t3tA)N1136 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1t3tA)N1136 T0326 1 :MPINVP 1t3tA 1017 :LNVKLS T0326 7 :SGLPAVKVLAKEGI 1t3tA 1026 :NEDIAAPYIATGAR T0326 36 :LEILILNLMPDK 1t3tA 1040 :PKVAVLREQGVN T0326 48 :IKTEIQLLRLLG 1t3tA 1053 :HVEMAAAFHRAG T0326 65 :VNVTLLY 1t3tA 1065 :FDAIDVH T0326 93 :SAVKDRKFDGFIITGAPV 1t3tA 1078 :GRIGLGNFHALVACGGFS T0326 115 :FE 1t3tA 1096 :YG T0326 117 :EVDYWEELTEIMEWSRHNV 1t3tA 1109 :SILFNHRVRDEFETFFHRP T0326 136 :YSTMF 1t3tA 1129 :TLALG T0326 144 :AAQAGLYY 1t3tA 1137 :GCQMMSNL T0326 152 :FYGIP 1t3tA 1148 :IPGSE T0326 157 :KYELPQKLSGVYKHRVAK 1t3tA 1159 :RNHSDRFEARFSLVEVTQ T0326 175 :DSVLFRGH 1t3tA 1178 :PSLLLQGM T0326 183 :DDFFWA 1t3tA 1187 :GSQMPI T0326 191 :SRY 1t3tA 1197 :GEG T0326 194 :TEVKKEDIDKVP 1t3tA 1202 :EVRDDAHLAALE T0326 206 :EL 1t3tA 1216 :GL T0326 209 :ILAE 1t3tA 1218 :VALR T0326 218 :VYVVANKSERQIFVTGHPEYDR 1t3tA 1244 :ITAVTTENGRVTIMMPHPERVF T0326 258 :IPAN 1t3tA 1266 :RTVA T0326 262 :YFPNDDPTKTPILTWWSHAHLFF 1t3tA 1272 :WHPENWGEDSPWMRIFRNARKQL Number of specific fragments extracted= 21 number of extra gaps= 0 total=352 Number of alignments=26 # 1t3tA read from 1t3tA/merged-good-all-a2m # found chain 1t3tA in template set Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1t3tA)N1136 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1t3tA)N1136 T0326 2 :PINVPSG 1t3tA 1018 :NVKLSFD T0326 25 :EKRAIHQDIR 1t3tA 1031 :APYIATGARP T0326 37 :EILILNL 1t3tA 1041 :KVAVLRE T0326 50 :TEIQLLRLLGNTPL 1t3tA 1052 :SHVEMAAAFHRAGF T0326 66 :NVTLLYT 1t3tA 1066 :DAIDVHM T0326 93 :SAVKD 1t3tA 1073 :SDLLG T0326 98 :RKFDGFIITGAPV 1t3tA 1083 :GNFHALVACGGFS T0326 115 :FEEV 1t3tA 1096 :YGDV T0326 119 :DYWEELTEI 1t3tA 1115 :RVRDEFETF T0326 131 :SRHNVYSTMF 1t3tA 1124 :FHRPQTLALG T0326 144 :AAQAGLYY 1t3tA 1137 :GCQMMSNL T0326 153 :YGIP 1t3tA 1149 :PGSE T0326 157 :KYELPQKLSGVYKHRVAK 1t3tA 1159 :RNHSDRFEARFSLVEVTQ T0326 175 :DSVLFRGHDDFF 1t3tA 1178 :PSLLLQGMVGSQ T0326 187 :WAPHSRYTEVKKEDIDKV 1t3tA 1195 :SHGEGRVEVRDDAHLAAL T0326 205 :PELEILA 1t3tA 1215 :KGLVALR T0326 218 :VYVVANKSERQIFVTGHPEYDRYT 1t3tA 1244 :ITAVTTENGRVTIMMPHPERVFRT T0326 258 :IPANYFPNDDPTKTPI 1t3tA 1268 :VANSWHPENWGEDSPW T0326 281 :HLFFSNWLN 1t3tA 1284 :MRIFRNARK Number of specific fragments extracted= 19 number of extra gaps= 0 total=371 Number of alignments=27 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2abwA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2abwA expands to /projects/compbio/data/pdb/2abw.pdb.gz 2abwA:Skipped atom 2, because occupancy 0.3 <= existing 0.700 in 2abwA Skipped atom 4, because occupancy 0.300 <= existing 0.700 in 2abwA Skipped atom 6, because occupancy 0.300 <= existing 0.700 in 2abwA Skipped atom 8, because occupancy 0.300 <= existing 0.700 in 2abwA Skipped atom 10, because occupancy 0.300 <= existing 0.700 in 2abwA Skipped atom 12, because occupancy 0.300 <= existing 0.700 in 2abwA Skipped atom 27, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 29, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 31, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 33, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 62, because occupancy 0.300 <= existing 0.700 in 2abwA Skipped atom 64, because occupancy 0.300 <= existing 0.700 in 2abwA Skipped atom 66, because occupancy 0.300 <= existing 0.700 in 2abwA Skipped atom 72, because occupancy 0.300 <= existing 0.700 in 2abwA Skipped atom 74, because occupancy 0.300 <= existing 0.700 in 2abwA Skipped atom 76, because occupancy 0.300 <= existing 0.700 in 2abwA Skipped atom 78, because occupancy 0.300 <= existing 0.700 in 2abwA Skipped atom 80, because occupancy 0.300 <= existing 0.700 in 2abwA Skipped atom 82, because occupancy 0.300 <= existing 0.700 in 2abwA Skipped atom 84, because occupancy 0.300 <= existing 0.700 in 2abwA Skipped atom 86, because occupancy 0.300 <= existing 0.700 in 2abwA Skipped atom 223, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 225, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 227, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 229, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 231, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 233, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 235, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 237, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 239, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 241, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 243, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 245, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 247, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 249, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 251, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 253, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 255, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 448, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 450, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 452, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 715, because occupancy 0.450 <= existing 0.550 in 2abwA Skipped atom 717, because occupancy 0.450 <= existing 0.550 in 2abwA Skipped atom 806, because occupancy 0.500 <= existing 0.500 in 2abwA Skipped atom 808, because occupancy 0.500 <= existing 0.500 in 2abwA Skipped atom 810, because occupancy 0.500 <= existing 0.500 in 2abwA Skipped atom 816, because occupancy 0.500 <= existing 0.500 in 2abwA Skipped atom 818, because occupancy 0.500 <= existing 0.500 in 2abwA Skipped atom 908, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 910, because occupancy 0.400 <= existing 0.600 in 2abwA Skipped atom 974, because occupancy 0.250 <= existing 0.750 in 2abwA Skipped atom 976, because occupancy 0.250 <= existing 0.750 in 2abwA Skipped atom 1044, because occupancy 0.500 <= existing 0.500 in 2abwA Skipped atom 1046, because occupancy 0.500 <= existing 0.500 in 2abwA Skipped atom 1401, because occupancy 0.500 <= existing 0.500 in 2abwA Skipped atom 1403, because occupancy 0.500 <= existing 0.500 in 2abwA Skipped atom 1405, because occupancy 0.500 <= existing 0.500 in 2abwA Skipped atom 1407, because occupancy 0.500 <= existing 0.500 in 2abwA # T0326 read from 2abwA/merged-good-all-a2m # 2abwA read from 2abwA/merged-good-all-a2m # adding 2abwA to template set # found chain 2abwA in template set Warning: unaligning (T0326)P156 because of BadResidue code TOO_FEW_ATOMS+BAD_PEPTIDE in next template residue (2abwA)F123 Warning: unaligning (T0326)K157 because of BadResidue code TOO_FEW_ATOMS+BAD_PEPTIDE at template residue (2abwA)F123 Warning: unaligning (T0326)Q162 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2abwA)N128 Warning: unaligning (T0326)K163 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2abwA)D129 Warning: unaligning (T0326)D214 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2abwA)S176 Warning: unaligning (T0326)E215 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2abwA)S176 Warning: unaligning (T0326)Q294 because of BadResidue code BAD_PEPTIDE in next template residue (2abwA)E221 Warning: unaligning (T0326)K295 because of BadResidue code BAD_PEPTIDE at template residue (2abwA)E221 T0326 57 :LLGNTPLQVNVTLLYTET 2abwA 5 :TIGVLSLQGDFEPHINHF T0326 75 :HKPKHTPIEHIL 2abwA 25 :LQIPSLNIIQVR T0326 91 :TFSAVK 2abwA 37 :NVHDLG T0326 99 :KFDGFIITGAP 2abwA 43 :LCDGLVIPGGE T0326 112 :L 2abwA 62 :A T0326 115 :FEEVDYWEELTEIME 2abwA 63 :YENDTLYNALVHFIH T0326 133 :HNVYSTMFICWAAQAG 2abwA 78 :VLKKPIWGTCAGCILL T0326 155 :I 2abwA 94 :S T0326 164 :L 2abwA 130 :S T0326 166 :GVYKHRVAKDS 2abwA 131 :FICSLNIISDS T0326 180 :RGHDDFFWAPHSRYTEVK 2abwA 142 :SAFKKDLTAACIRAPYIR T0326 200 :DI 2abwA 160 :EI T0326 204 :VPE 2abwA 162 :LSD T0326 207 :LEILAES 2abwA 166 :VKVLATF T0326 216 :A 2abwA 177 :Y T0326 217 :GVYVVANKS 2abwA 181 :IIAAVEQNN T0326 228 :QIFVTGHPEYDRYT 2abwA 190 :CLGTVFHPELLPHT T0326 278 :SHAHLFFSNWLNYCIY 2abwA 204 :AFQQYFYEKVKNYKYS Number of specific fragments extracted= 18 number of extra gaps= 3 total=389 Number of alignments=28 # 2abwA read from 2abwA/merged-good-all-a2m # found chain 2abwA in template set Warning: unaligning (T0326)R34 because first residue in template chain is (2abwA)S2 Warning: unaligning (T0326)K157 because of BadResidue code BAD_PEPTIDE in next template residue (2abwA)S104 Warning: unaligning (T0326)Y158 because of BadResidue code BAD_PEPTIDE at template residue (2abwA)S104 Warning: unaligning (T0326)D214 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2abwA)S176 Warning: unaligning (T0326)E215 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2abwA)S176 T0326 35 :PLEILILNLM 2abwA 3 :EITIGVLSLQ T0326 46 :DKIKTEIQLLRLLGNTPLQ 2abwA 13 :GDFEPHINHFIKLQIPSLN T0326 67 :VTLL 2abwA 32 :IIQV T0326 90 :TTFSA 2abwA 36 :RNVHD T0326 97 :DRKFDGFIITGA 2abwA 41 :LGLCDGLVIPGG T0326 115 :FEEVDYWEELTEIME 2abwA 63 :YENDTLYNALVHFIH T0326 133 :HNVYSTMFICWAAQAGL 2abwA 78 :VLKKPIWGTCAGCILLS T0326 154 :G 2abwA 99 :N T0326 155 :IP 2abwA 101 :KL T0326 159 :ELPQKLS 2abwA 105 :NFGNKFS T0326 166 :GVYKHRVAKDSVLFRG 2abwA 131 :FICSLNIISDSSAFKK T0326 183 :DDFFWA 2abwA 147 :DLTAAC T0326 191 :SRYTEVK 2abwA 153 :IRAPYIR T0326 203 :KVPELEILAE 2abwA 162 :LSDEVKVLAT T0326 213 :S 2abwA 174 :H T0326 216 :AG 2abwA 177 :YG T0326 218 :VYVVANKS 2abwA 182 :IAAVEQNN T0326 228 :QIFVTGHPEYDR 2abwA 190 :CLGTVFHPELLP T0326 273 :IL 2abwA 202 :HT T0326 278 :SHAHLFFSNWLNYC 2abwA 204 :AFQQYFYEKVKNYK Number of specific fragments extracted= 20 number of extra gaps= 2 total=409 Number of alignments=29 # 2abwA read from 2abwA/merged-good-all-a2m # found chain 2abwA in template set Warning: unaligning (T0326)R34 because first residue in template chain is (2abwA)S2 Warning: unaligning (T0326)D214 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2abwA)S176 Warning: unaligning (T0326)E215 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2abwA)S176 T0326 35 :PLEILILNLMPDKIKTEIQLL 2abwA 3 :EITIGVLSLQGDFEPHINHFI T0326 59 :GNTPLQVNVTLLY 2abwA 24 :KLQIPSLNIIQVR T0326 91 :TFSAV 2abwA 37 :NVHDL T0326 98 :RKFDGFIITGAP 2abwA 42 :GLCDGLVIPGGE T0326 115 :FEEVDYWEELTEI 2abwA 63 :YENDTLYNALVHF T0326 131 :SRHNVYSTMFICWAAQA 2abwA 76 :IHVLKKPIWGTCAGCIL T0326 155 :IPK 2abwA 100 :IKL T0326 161 :PQKL 2abwA 108 :NKFS T0326 165 :SGVYKHRVAKDSV 2abwA 130 :SFICSLNIISDSS T0326 181 :GHDDFFWAPHSRYTEV 2abwA 143 :AFKKDLTAACIRAPYI T0326 205 :PELEIL 2abwA 164 :DEVKVL T0326 211 :AES 2abwA 172 :FSH T0326 216 :AG 2abwA 177 :YG T0326 218 :VYVVANKS 2abwA 182 :IAAVEQNN T0326 228 :QIFVTGHPEYDRYTLRDEYYRDI 2abwA 190 :CLGTVFHPELLPHTAFQQYFYEK Number of specific fragments extracted= 15 number of extra gaps= 1 total=424 Number of alignments=30 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1g2iA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1g2iA expands to /projects/compbio/data/pdb/1g2i.pdb.gz 1g2iA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0326 read from 1g2iA/merged-good-all-a2m # 1g2iA read from 1g2iA/merged-good-all-a2m # adding 1g2iA to template set # found chain 1g2iA in template set Warning: unaligning (T0326)L55 because first residue in template chain is (1g2iA)M1 T0326 56 :RLLGNTPLQVNVTLL 1g2iA 2 :KVLFLTANEFEDVEL T0326 71 :YTETHKPKHTPIEHILKF 1g2iA 19 :PYHRLKEEGHEVYIASFE T0326 89 :YTTFSAVKDRKFDGFIITGAPV 1g2iA 51 :DLTFDKVNPEEFDALVLPGGRA T0326 115 :FEEVDYWEELTEIMEWSRHNVYSTMFICWAAQAGLYY 1g2iA 73 :PERVRLNEKAVSIARKMFSEGKPVASICHGPQILISA T0326 154 :GI 1g2iA 110 :GV Number of specific fragments extracted= 5 number of extra gaps= 0 total=429 Number of alignments=31 # 1g2iA read from 1g2iA/merged-good-all-a2m # found chain 1g2iA in template set Warning: unaligning (T0326)L36 because first residue in template chain is (1g2iA)M1 T0326 37 :EILILN 1g2iA 2 :KVLFLT T0326 44 :MPDKIKTE 1g2iA 8 :ANEFEDVE T0326 52 :IQLLRLLGNTPL 1g2iA 17 :IYPYHRLKEEGH T0326 66 :NVTLLYTET 1g2iA 29 :EVYIASFER T0326 79 :HTPIEHILKFYTTFSAVKDRKFDGFIITGAPV 1g2iA 41 :TGKHGYSVKVDLTFDKVNPEEFDALVLPGGRA T0326 115 :FEEVDYWEELTEIMEWSRHNVYSTMFICWAAQAGLYY 1g2iA 73 :PERVRLNEKAVSIARKMFSEGKPVASICHGPQILISA T0326 152 :FYGIP 1g2iA 112 :LRGRK T0326 186 :FWA 1g2iA 117 :GTS T0326 194 :TEVKKEDIDKVP 1g2iA 120 :YPGIKDDMINAG T0326 209 :ILAESDEAGV 1g2iA 132 :VEWVDAEVVV T0326 223 :NKS 1g2iA 142 :DGN T0326 230 :FVTGHPEYDRYTLRDEYYRD 1g2iA 145 :WVSSRVPADLYAWMREFVKL Number of specific fragments extracted= 12 number of extra gaps= 0 total=441 Number of alignments=32 # 1g2iA read from 1g2iA/merged-good-all-a2m # found chain 1g2iA in template set Warning: unaligning (T0326)L36 because first residue in template chain is (1g2iA)M1 T0326 37 :EILILNL 1g2iA 2 :KVLFLTA T0326 46 :DKI 1g2iA 9 :NEF T0326 49 :KTEIQLLRLLGNTPLQVNVTL 1g2iA 14 :VELIYPYHRLKEEGHEVYIAS T0326 70 :LYTETHKP 1g2iA 40 :ITGKHGYS T0326 90 :TTFSAVKDRKFDGFIITGAPV 1g2iA 52 :LTFDKVNPEEFDALVLPGGRA T0326 115 :FEEVDYWEELTEIMEWSRHNVYSTMFICWAAQAGLYY 1g2iA 73 :PERVRLNEKAVSIARKMFSEGKPVASICHGPQILISA T0326 154 :GI 1g2iA 110 :GV T0326 179 :FRGHD 1g2iA 112 :LRGRK T0326 190 :HSRYTEV 1g2iA 117 :GTSYPGI T0326 198 :KEDIDKVP 1g2iA 124 :KDDMINAG T0326 209 :ILAESDEAGV 1g2iA 132 :VEWVDAEVVV T0326 223 :NKS 1g2iA 142 :DGN T0326 230 :FVTGHPEYDRYTLRDEYYRDI 1g2iA 145 :WVSSRVPADLYAWMREFVKLL Number of specific fragments extracted= 13 number of extra gaps= 0 total=454 Number of alignments=33 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1qdlB/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1qdlB expands to /projects/compbio/data/pdb/1qdl.pdb.gz 1qdlB:# T0326 read from 1qdlB/merged-good-all-a2m # 1qdlB read from 1qdlB/merged-good-all-a2m # adding 1qdlB to template set # found chain 1qdlB in template set Warning: unaligning (T0326)L55 because first residue in template chain is (1qdlB)M1 T0326 56 :RLLGNTPLQVNVTLLYTETHKPKHTPIEHILKFYTTFSAVKDRKFDGFIITGAPVELLPFEEVDYW 1qdlB 2 :DLTLIIDNYDSFVYNIAQIVGELGSYPIVIRNDEISIKGIERIDPDRLIISPGPGTPEKREDIGVS T0326 125 :TEIMEWS 1qdlB 68 :LDVIKYL T0326 133 :HNVYSTMFICWAAQAGLYYF 1qdlB 75 :GKRTPILGVCLGHQAIGYAF T0326 154 :GIPKYELPQKLSG 1qdlB 95 :GAKIRRARKVFHG T0326 167 :VYKHRVAKDSVL 1qdlB 109 :ISNIILVNNSPL T0326 179 :FRGHDDFFWA 1qdlB 123 :YYGIAKEFKA T0326 191 :SRYTEVK 1qdlB 133 :TRYHSLV T0326 201 :IDKVPE 1qdlB 140 :VDEVHR T0326 207 :LEILAES 1qdlB 147 :LIVDAIS T0326 214 :DEAGVYVVANKSERQIFVTGHPEYDRYTLRDEYYRDIGR 1qdlB 155 :EDNEIMAIHHEEYPIYGVQFHPESVGTSLGYKILYNFLN Number of specific fragments extracted= 10 number of extra gaps= 0 total=464 Number of alignments=34 # 1qdlB read from 1qdlB/merged-good-all-a2m # found chain 1qdlB in template set T0326 37 :EILILNLMPDKIKTEIQLLRLLG 1qdlB 3 :LTLIIDNYDSFVYNIAQIVGELG T0326 65 :VNVTLLYTETH 1qdlB 26 :SYPIVIRNDEI T0326 91 :TFSAVKDRKFDGFIITGAPVELLP 1qdlB 37 :SIKGIERIDPDRLIISPGPGTPEK T0326 121 :WEE 1qdlB 61 :RED T0326 124 :LTEIMEWSR 1qdlB 67 :SLDVIKYLG T0326 134 :NVYSTMFICWAAQAGLYYFYGIPKYELPQKLSGVYKHRVAKDS 1qdlB 76 :KRTPILGVCLGHQAIGYAFGAKIRRARKVFHGKISNIILVNNS T0326 177 :VLFRGHDDFFWA 1qdlB 121 :SLYYGIAKEFKA T0326 201 :IDKVP 1qdlB 140 :VDEVH T0326 206 :ELEILAESDEAG 1qdlB 146 :PLIVDAISAEDN T0326 218 :VYVVANKSERQIFVTGHPEYDR 1qdlB 159 :IMAIHHEEYPIYGVQFHPESVG T0326 277 :WSHAHLFFSNWLNY 1qdlB 181 :TSLGYKILYNFLNR Number of specific fragments extracted= 11 number of extra gaps= 0 total=475 Number of alignments=35 # 1qdlB read from 1qdlB/merged-good-all-a2m # found chain 1qdlB in template set T0326 37 :EILILNLMPDKIKTEIQLLRLLGN 1qdlB 3 :LTLIIDNYDSFVYNIAQIVGELGS T0326 66 :NVTLLYTETH 1qdlB 27 :YPIVIRNDEI T0326 91 :TFSAVKDRKFDGFIITGAPVEL 1qdlB 37 :SIKGIERIDPDRLIISPGPGTP T0326 119 :DYWEEL 1qdlB 59 :EKREDI T0326 125 :TEIMEWSR 1qdlB 68 :LDVIKYLG T0326 134 :NVYSTMFICWAAQAGLY 1qdlB 76 :KRTPILGVCLGHQAIGY T0326 152 :FYGIPKYELPQKLSG 1qdlB 93 :AFGAKIRRARKVFHG T0326 167 :VYKHRVAKD 1qdlB 109 :ISNIILVNN T0326 176 :SVLFRGHDDFFWA 1qdlB 120 :LSLYYGIAKEFKA T0326 192 :RYTEVK 1qdlB 139 :VVDEVH T0326 205 :PELEILAESDEA 1qdlB 145 :RPLIVDAISAED T0326 217 :GVYVVANKSERQIFVTGHPEYDRYTLRDEYYRDI 1qdlB 158 :EIMAIHHEEYPIYGVQFHPESVGTSLGYKILYNF Number of specific fragments extracted= 12 number of extra gaps= 0 total=487 Number of alignments=36 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ox6A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ox6A expands to /projects/compbio/data/pdb/1ox6.pdb.gz 1ox6A:# T0326 read from 1ox6A/merged-good-all-a2m # 1ox6A read from 1ox6A/merged-good-all-a2m # adding 1ox6A to template set # found chain 1ox6A in template set Warning: unaligning (T0326)I273 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ox6A)L276 T0326 53 :QLLRLLGNTPLQVNVTLLYTETHKPKHTPIEHI 1ox6A -2 :SHMPVVHVIDVESGNLQSLTNAIEHLGYEVQLV T0326 90 :TTFSAVKDRKFDGFII 1ox6A 32 :KSPKDFNISGTSRLIL T0326 107 :GAPVE 1ox6A 48 :PGVGN T0326 115 :FEEV 1ox6A 53 :YGHF T0326 121 :WEELTE 1ox6A 57 :VDNLFN T0326 127 :IMEWSRHNVYSTMFICWAAQ 1ox6A 68 :PIREYIESGKPIMGICVGLQ T0326 154 :GI 1ox6A 92 :GS T0326 156 :PKYELPQK 1ox6A 108 :KLSRFDDS T0326 164 :LSGVYKHRVAKDSVL 1ox6A 121 :EIGWNSCIPSENLFF T0326 181 :GHDDFFWA 1ox6A 136 :GLDPYKRY T0326 191 :SRYTEVK 1ox6A 144 :YFVHSFA T0326 199 :EDID 1ox6A 151 :AILN T0326 205 :PELEIL 1ox6A 164 :DGWKIA T0326 211 :AESDEAGVYVVANKS 1ox6A 171 :AKYGSEEFIAAVNKN T0326 227 :RQIFVTGHPEYD 1ox6A 186 :NIFATQFHPEKS T0326 240 :YTLRDEYYRDIGRNLKVPIPA 1ox6A 198 :GKAGLNVIENFLKQQSPPIPN T0326 263 :FP 1ox6A 219 :YS T0326 274 :LTWWSHAHLFFS 1ox6A 277 :GKPVQLAQKYYQ Number of specific fragments extracted= 18 number of extra gaps= 0 total=505 Number of alignments=37 # 1ox6A read from 1ox6A/merged-good-all-a2m # found chain 1ox6A in template set T0326 36 :LEILILNLMPDKIKTEIQLLRLLG 1ox6A 2 :PVVHVIDVESGNLQSLTNAIEHLG T0326 65 :VNVTLL 1ox6A 26 :YEVQLV T0326 90 :TTFSAVKDRKFDGFIITG 1ox6A 32 :KSPKDFNISGTSRLILPG T0326 108 :AP 1ox6A 51 :GN T0326 115 :FEEV 1ox6A 53 :YGHF T0326 119 :DYWEE 1ox6A 59 :NLFNR T0326 124 :LTEIMEWSRHNVYSTMFICWAAQ 1ox6A 65 :FEKPIREYIESGKPIMGICVGLQ T0326 152 :FYGIP 1ox6A 96 :SPKST T0326 158 :YELPQKLSGVYKHRVAKDSVLFRGHDDFFWAPHSRYTEVKKEDIDKVP 1ox6A 115 :SEKPVPEIGWNSCIPSENLFFGLDPYKRYYFVHSFAAILNSEKKKNLE T0326 206 :ELEI 1ox6A 165 :GWKI T0326 210 :LAESDEAGVYVVANKS 1ox6A 170 :KAKYGSEEFIAAVNKN T0326 227 :RQIFVTGHPEYDRYTLRDEYYRDIGRNLK 1ox6A 186 :NIFATQFHPEKSGKAGLNVIENFLKQQSP T0326 257 :PIPA 1ox6A 215 :PIPN T0326 262 :Y 1ox6A 219 :Y T0326 268 :PTKTPILTWWSHAHLFFS 1ox6A 338 :DVDGTKIPALEVASLYFR Number of specific fragments extracted= 15 number of extra gaps= 0 total=520 Number of alignments=38 # 1ox6A read from 1ox6A/merged-good-all-a2m # found chain 1ox6A in template set T0326 37 :EILILNLMPDKIKTEIQLLRLLG 1ox6A 3 :VVHVIDVESGNLQSLTNAIEHLG T0326 65 :VNVTLLYTE 1ox6A 26 :YEVQLVKSP T0326 78 :KHTPIE 1ox6A 35 :KDFNIS T0326 99 :KFDGFIITGAPV 1ox6A 41 :GTSRLILPGVGN T0326 117 :EVDYWEELTEIME 1ox6A 62 :NRGFEKPIREYIE T0326 134 :NVYSTMFICWAAQA 1ox6A 75 :SGKPIMGICVGLQA T0326 153 :YGIPKYEL 1ox6A 97 :PKSTGLNY T0326 161 :PQKLSGVYKHRVAKDSVLFRGHDDFFWAPHSRYTEVKKEDIDKV 1ox6A 118 :PVPEIGWNSCIPSENLFFGLDPYKRYYFVHSFAAILNSEKKKNL T0326 205 :PELEIL 1ox6A 164 :DGWKIA T0326 211 :AE 1ox6A 171 :AK T0326 213 :SDEAGVYVVANKS 1ox6A 174 :GSEEFIAAVNKNN T0326 228 :QIFVTGHPEYDRYTLRDEYYRDIGRNLK 1ox6A 187 :IFATQFHPEKSGKAGLNVIENFLKQQSP T0326 257 :PIPAN 1ox6A 215 :PIPNY Number of specific fragments extracted= 13 number of extra gaps= 0 total=533 Number of alignments=39 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1a9xB/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0326 read from 1a9xB/merged-good-all-a2m # 1a9xB read from 1a9xB/merged-good-all-a2m # found chain 1a9xB in training set Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1a9xB)L1770 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1a9xB)L1770 T0326 10 :PAVKVLAKEGIFV 1a9xB 1617 :KLTRLLREKGAQN T0326 23 :MTEKRAIHQ 1a9xB 1638 :PDAALALEK T0326 32 :DIRPL 1a9xB 1652 :GLNGM T0326 37 :EILILNLMPD 1a9xB 1668 :YSWTQGSWTL T0326 47 :K 1a9xB 1679 :G T0326 48 :IKTEIQLLR 1a9xB 1683 :QAKKEDELP T0326 57 :LLGNTPLQ 1a9xB 1693 :HVVAYDFG T0326 67 :VTLLYTETHKPKHTPIEHI 1a9xB 1701 :AKRNILRMLVDRGCRLTIV T0326 87 :KFYTTFSAVKDRKFDGFIITGAPVEL 1a9xB 1720 :PAQTSAEDVLKMNPDGIFLSNGPGDP T0326 116 :EE 1a9xB 1746 :AP T0326 121 :WEELTEIMEWSRHNVYSTMF 1a9xB 1748 :CDYAITAIQKFLETDIPVFG T0326 144 :AAQAGLYYF 1a9xB 1771 :GHQLLALAS T0326 154 :GIPKYELPQKL 1a9xB 1780 :GAKTVKMKFGH T0326 165 :SGVYKHRVAK 1a9xB 1792 :GGNHPVKDVE T0326 184 :DFFWAPHSRYTEVK 1a9xB 1802 :KNVVMITAQNHGFA T0326 199 :EDIDKVPE 1a9xB 1816 :VDEATLPA T0326 207 :LEILAES 1a9xB 1825 :LRVTHKS T0326 214 :DEAGVYVVANKSERQIFVTGHPEYDRYTLR 1a9xB 1833 :FDGTLQGIHRTDKPAFSFQGNPEASPGPHD T0326 282 :LFFSNWLNYCIY 1a9xB 1865 :PLFDHFIELIEQ Number of specific fragments extracted= 19 number of extra gaps= 0 total=552 Number of alignments=40 # 1a9xB read from 1a9xB/merged-good-all-a2m # found chain 1a9xB in training set Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1a9xB)L1770 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1a9xB)L1770 T0326 31 :QDIRPLEILILNLM 1a9xB 1687 :EDELPFHVVAYDFG T0326 51 :EIQLLRLL 1a9xB 1702 :KRNILRML T0326 59 :G 1a9xB 1713 :G T0326 65 :VNVTLLYTE 1a9xB 1714 :CRLTIVPAQ T0326 90 :TTFSAVKDRKFDGFIITGAPVELLP 1a9xB 1723 :TSAEDVLKMNPDGIFLSNGPGDPAP T0326 121 :WEELTEIMEWSRHNVYSTMF 1a9xB 1748 :CDYAITAIQKFLETDIPVFG T0326 144 :AAQAGLYYFYGIPKYELPQKLSGVYKHRVAKD 1a9xB 1771 :GHQLLALASGAKTVKMKFGHHGGNHPVKDVEK T0326 183 :DDFFWAPHSRYTEVKKE 1a9xB 1803 :NVVMITAQNHGFAVDEA T0326 203 :KVP 1a9xB 1820 :TLP T0326 206 :ELEILAES 1a9xB 1824 :NLRVTHKS T0326 214 :DEAGVYVVANKSERQIFVTGHPEYDR 1a9xB 1833 :FDGTLQGIHRTDKPAFSFQGNPEASP T0326 258 :IPAN 1a9xB 1859 :GPHD T0326 280 :AHLFFSNWLNYCI 1a9xB 1863 :AAPLFDHFIELIE Number of specific fragments extracted= 13 number of extra gaps= 0 total=565 Number of alignments=41 # 1a9xB read from 1a9xB/merged-good-all-a2m # found chain 1a9xB in training set Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1a9xB)L1770 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1a9xB)L1770 T0326 31 :QDIRPLEILILNLMP 1a9xB 1687 :EDELPFHVVAYDFGA T0326 52 :IQLLRLL 1a9xB 1703 :RNILRML T0326 63 :LQVNVTLLYTET 1a9xB 1712 :RGCRLTIVPAQT T0326 91 :TFSAVKDRKFDGFIITGAPVEL 1a9xB 1724 :SAEDVLKMNPDGIFLSNGPGDP T0326 119 :DYWEELTEIMEWSRHNVYSTMF 1a9xB 1746 :APCDYAITAIQKFLETDIPVFG T0326 144 :AAQAGLY 1a9xB 1771 :GHQLLAL T0326 152 :FYGIPKYELPQKLSGV 1a9xB 1778 :ASGAKTVKMKFGHHGG T0326 168 :YKHRVAKDS 1a9xB 1795 :HPVKDVEKN T0326 185 :FFWAPHSRYTEVK 1a9xB 1810 :QNHGFAVDEATLP T0326 205 :PELEILAESD 1a9xB 1823 :ANLRVTHKSL T0326 215 :EAGVYVVANKSERQIFVTGHPEYDR 1a9xB 1834 :DGTLQGIHRTDKPAFSFQGNPEASP T0326 240 :YTLRDEYYRDI 1a9xB 1864 :APLFDHFIELI Number of specific fragments extracted= 12 number of extra gaps= 0 total=577 Number of alignments=42 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vhqA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0326 read from 1vhqA/merged-good-all-a2m # 1vhqA read from 1vhqA/merged-good-all-a2m # found chain 1vhqA in training set Warning: unaligning (T0326)L55 because first residue in template chain is (1vhqA)M4 Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vhqA)I139 T0326 56 :RLLGNTPLQVNVT 1vhqA 5 :KKIGVILSGCGVY T0326 69 :LLYTETHKPKHTPIEHILKF 1vhqA 26 :VLTLLAISRSGAQAVCFAPD T0326 89 :YTTF 1vhqA 63 :TRNV T0326 93 :SAVKDRKFDGFIITGAPV 1vhqA 82 :AQADAAELDALIVPGGFG T0326 112 :LLP 1vhqA 104 :LSN T0326 115 :FEEVDYWEELTEIMEWSRHNVYSTMF 1vhqA 111 :GSECTVDRELKALAQAMHQAGKPLGF T0326 181 :GHDDFFWA 1vhqA 147 :IFDFPLRL T0326 195 :EVK 1vhqA 155 :TIG T0326 199 :EDID 1vhqA 158 :TDID T0326 203 :KVP 1vhqA 175 :PCP T0326 206 :E 1vhqA 179 :D T0326 207 :L 1vhqA 181 :I T0326 221 :VANKSERQIFV 1vhqA 182 :VVDEDNKIVTT T0326 235 :PEYDR 1vhqA 193 :PAYML T0326 270 :KTPILTWWSHAHLFFSNWLNYC 1vhqA 198 :AQNIAEAASGIDKLVSRVLVLA Number of specific fragments extracted= 15 number of extra gaps= 0 total=592 Number of alignments=43 # 1vhqA read from 1vhqA/merged-good-all-a2m # found chain 1vhqA in training set Warning: unaligning (T0326)P35 because first residue in template chain is (1vhqA)M4 Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vhqA)I139 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vhqA)I139 T0326 36 :LEILILNLMPDK 1vhqA 5 :KKIGVILSGCGV T0326 48 :IKTEIQLLRLLGNTPLQVNVTLL 1vhqA 22 :IHEAVLTLLAISRSGAQAVCFAP T0326 73 :ET 1vhqA 45 :DK T0326 75 :HKPKHTPIEH 1vhqA 57 :GEAMTETRNV T0326 89 :YTTFSAVKDRKFDGFIITGA 1vhqA 78 :IRPLAQADAAELDALIVPGG T0326 112 :LLP 1vhqA 104 :LSN T0326 115 :FEEVDYWEELTEIMEWSRHNVYSTMF 1vhqA 111 :GSECTVDRELKALAQAMHQAGKPLGF T0326 144 :AAQAGLYY 1vhqA 140 :APAMLPKI T0326 182 :HDDFFWAPH 1vhqA 148 :FDFPLRLTI T0326 195 :EVKKEDIDKVP 1vhqA 157 :GTDIDTAEVLE T0326 206 :ELEI 1vhqA 170 :GAEH T0326 213 :SDEAGV 1vhqA 176 :CPVDDI T0326 221 :VANKSERQIFVTGHPE 1vhqA 182 :VVDEDNKIVTTPAYML T0326 270 :KTPILTWWSHAHLFFSNWLNYC 1vhqA 198 :AQNIAEAASGIDKLVSRVLVLA Number of specific fragments extracted= 14 number of extra gaps= 0 total=606 Number of alignments=44 # 1vhqA read from 1vhqA/merged-good-all-a2m # found chain 1vhqA in training set Warning: unaligning (T0326)P35 because first residue in template chain is (1vhqA)M4 Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vhqA)I139 T0326 36 :LEILILNLMPDKI 1vhqA 5 :KKIGVILSGCGVY T0326 49 :KTEIQLLRLLGNTPLQVNVTL 1vhqA 23 :HEAVLTLLAISRSGAQAVCFA T0326 71 :YT 1vhqA 53 :NH T0326 73 :ETHKPKHTPIEHILKFY 1vhqA 58 :EAMTETRNVLIEAARIT T0326 91 :TFSAVKDRKFDGFIITGA 1vhqA 80 :PLAQADAAELDALIVPGG T0326 115 :FEEVDYWEELTEIMEWSRHNVYSTMF 1vhqA 111 :GSECTVDRELKALAQAMHQAGKPLGF T0326 176 :SVLF 1vhqA 140 :APAM T0326 182 :HDDFFWAPHSRYTEV 1vhqA 148 :FDFPLRLTIGTDIDT T0326 198 :KEDIDKV 1vhqA 163 :AEVLEEM T0326 206 :ELEILAESDEA 1vhqA 170 :GAEHVPCPVDD T0326 220 :VVANKSERQIFVTGH 1vhqA 181 :IVVDEDNKIVTTPAY T0326 238 :DRYTLRDEYYRDIG 1vhqA 200 :NIAEAASGIDKLVS Number of specific fragments extracted= 12 number of extra gaps= 0 total=618 Number of alignments=45 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1rq2A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1rq2A expands to /projects/compbio/data/pdb/1rq2.pdb.gz 1rq2A:Skipped atom 289, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 291, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 293, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 295, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 297, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 299, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 301, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 303, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 637, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 639, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 733, because occupancy 0.330 <= existing 0.330 in 1rq2A Skipped atom 734, because occupancy 0.330 <= existing 0.330 in 1rq2A Skipped atom 906, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 908, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 910, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 912, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 914, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 916, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1237, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1503, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1505, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1527, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1538, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1540, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1542, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1603, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1770, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1772, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1774, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1776, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1778, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1780, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1782, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1784, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1844, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1846, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1848, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 2041, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 2043, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 2045, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 2135, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 2137, because occupancy 0.500 <= existing 0.500 in 1rq2A # T0326 read from 1rq2A/merged-good-all-a2m # 1rq2A read from 1rq2A/merged-good-all-a2m # adding 1rq2A to template set # found chain 1rq2A in template set Warning: unaligning (T0326)I48 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1rq2A)G69 T0326 10 :PAVKVLAKEGIF 1rq2A 22 :NAVNRMIEQGLK T0326 22 :VMTEKRAIHQDIRPLEI 1rq2A 41 :NTDAQALLMSDADVKLD T0326 43 :LMPDK 1rq2A 58 :VGRDS T0326 53 :QLLRLLGN 1rq2A 91 :RGADMVFV T0326 61 :TPLQVN 1rq2A 100 :AGEGGG T0326 67 :VTLLYTETHKPKHTPI 1rq2A 110 :GAPVVASIARKLGALT T0326 83 :EHILKFYTTFSAVKDR 1rq2A 128 :VVTRPFSFEGKRRSNQ T0326 99 :KFDGFIITG 1rq2A 154 :SCDTLIVIP T0326 108 :APVELL 1rq2A 170 :GDAAVS T0326 121 :WEELTEIMEWSR 1rq2A 176 :LMDAFRSADEVL T0326 143 :WAAQAGLYYF 1rq2A 189 :NGVQGITDLI T0326 153 :YGIPKY 1rq2A 216 :SGAGTA T0326 164 :LSGVYKHR 1rq2A 222 :LMGIGSAR T0326 174 :KD 1rq2A 231 :EG T0326 176 :SVLFRGH 1rq2A 244 :SPLLEAS T0326 183 :DDFFWA 1rq2A 285 :PDANII T0326 192 :RYTE 1rq2A 291 :FGTV T0326 200 :DIDKVPE 1rq2A 295 :IDDSLGD T0326 207 :L 1rq2A 303 :V T0326 217 :GVYVVAN 1rq2A 304 :RVTVIAA Number of specific fragments extracted= 20 number of extra gaps= 0 total=638 Number of alignments=46 # 1rq2A read from 1rq2A/merged-good-all-a2m # found chain 1rq2A in template set Warning: unaligning (T0326)K76 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1rq2A)G69 Warning: unaligning (T0326)H79 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1rq2A)G69 T0326 11 :AVKVLAKEGI 1rq2A 23 :AVNRMIEQGL T0326 34 :RPLEILILNLMPDKIKTE 1rq2A 33 :KGVEFIAINTDAQALLMS T0326 64 :QVNVTLLYTETH 1rq2A 51 :DADVKLDVGRDS T0326 80 :TPIEHILKF 1rq2A 70 :ADPEVGRKA T0326 90 :TTF 1rq2A 80 :EDA T0326 93 :SAVK 1rq2A 84 :DEIE T0326 97 :DRKFDGFIITGA 1rq2A 90 :LRGADMVFVTAG T0326 111 :ELLPFEEVDYWEELTEIMEWSRHNVYSTMFI 1rq2A 131 :RPFSFEGKRRSNQAENGIAALRESCDTLIVI T0326 143 :WAAQAGLYY 1rq2A 189 :NGVQGITDL T0326 152 :FYGI 1rq2A 215 :MSGA T0326 161 :PQKLSGVYKHR 1rq2A 219 :GTALMGIGSAR T0326 173 :AKD 1rq2A 230 :GEG T0326 176 :SVLFRGH 1rq2A 244 :SPLLEAS T0326 183 :DDFFWAPHSRYTEVKKEDIDK 1rq2A 254 :AQGVLMSIAGGSDLGLFEINE T0326 204 :VPELEILAE 1rq2A 284 :HPDANIIFG T0326 213 :SDEAG 1rq2A 299 :LGDEV T0326 218 :VYVVAN 1rq2A 305 :VTVIAA Number of specific fragments extracted= 17 number of extra gaps= 0 total=655 Number of alignments=47 # 1rq2A read from 1rq2A/merged-good-all-a2m # found chain 1rq2A in template set Warning: unaligning (T0326)K76 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1rq2A)G69 Warning: unaligning (T0326)H79 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1rq2A)G69 T0326 13 :KVL 1rq2A 25 :NRM T0326 29 :IHQDIRPLEILILNLMPDKIKT 1rq2A 28 :IEQGLKGVEFIAINTDAQALLM T0326 63 :LQVNVTLLYTETH 1rq2A 50 :SDADVKLDVGRDS T0326 80 :TPIEHILKFYTT 1rq2A 70 :ADPEVGRKAAED T0326 92 :FSAVKD 1rq2A 83 :KDEIEE T0326 98 :RKFDGFIITGA 1rq2A 91 :RGADMVFVTAG T0326 110 :VELLPFEEVDYWEELTEIMEWSRHNVYSTMFI 1rq2A 130 :TRPFSFEGKRRSNQAENGIAALRESCDTLIVI T0326 144 :AAQAGLYYFYGIPKYE 1rq2A 190 :GVQGITDLITTPGLIN T0326 160 :LPQKLSGVYKHRVAK 1rq2A 218 :AGTALMGIGSARGEG T0326 175 :DSVLFRGHDDFF 1rq2A 243 :NSPLLEASMEGA T0326 187 :WAPHSRYTEVKKEDIDKV 1rq2A 258 :LMSIAGGSDLGLFEINEA T0326 205 :PELEILA 1rq2A 285 :PDANIIF T0326 213 :SDEAGVYVVA 1rq2A 300 :GDEVRVTVIA Number of specific fragments extracted= 13 number of extra gaps= 0 total=668 Number of alignments=48 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1n57A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0326 read from 1n57A/merged-good-all-a2m # 1n57A read from 1n57A/merged-good-all-a2m # found chain 1n57A in training set Warning: unaligning (T0326)G107 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1n57A)G154 Warning: unaligning (T0326)A108 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1n57A)G154 Warning: unaligning (T0326)K157 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1n57A)C207 Warning: unaligning (T0326)Y158 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1n57A)C207 Warning: unaligning (T0326)H182 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (1n57A)P218 Warning: unaligning (T0326)D183 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (1n57A)P218 T0326 19 :GIFVMTEKRAIHQDIRPLE 1n57A 16 :DNAFFPSEYSLSQYTSPVS T0326 42 :NLMPDKIKTEIQLLRLLGNTPLQVN 1n57A 35 :DLDGVDYPKPYRGKHKILVIAADER T0326 67 :VTLLYTETHKPKHTPIEHILKFYTTF 1n57A 77 :ETLLPLYHLHAAGFEFEVATISGLMT T0326 97 :DR 1n57A 125 :SL T0326 99 :KFDGFIIT 1n57A 145 :EYAAIFVP T0326 109 :PVELLPFEEVDYW 1n57A 155 :HGALIGLPESQDV T0326 125 :TEIMEWSRHNVYSTMFICWA 1n57A 168 :AAALQWAIKNDRFVISLCHG T0326 152 :FYGIP 1n57A 201 :LNGYS T0326 159 :ELPQK 1n57A 208 :AFPDA T0326 178 :LFRG 1n57A 213 :ADKQ T0326 184 :DFFWA 1n57A 219 :EIGYM T0326 190 :HSRYTEVK 1n57A 224 :PGHLTWYF T0326 201 :ID 1n57A 232 :GE T0326 205 :P 1n57A 239 :G T0326 209 :ILAESDEAGVYVVANKS 1n57A 240 :MNIINDDITGRVHKDRK T0326 228 :QIFV 1n57A 257 :LLTG T0326 257 :PIPAN 1n57A 261 :DSPFA T0326 276 :WWSHAHLFFSNWLNYC 1n57A 266 :ANALGKLAAQEMLAAY Number of specific fragments extracted= 18 number of extra gaps= 3 total=686 Number of alignments=49 # 1n57A read from 1n57A/merged-good-all-a2m # found chain 1n57A in training set Warning: unaligning (T0326)G107 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1n57A)G154 Warning: unaligning (T0326)A108 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1n57A)G154 Warning: unaligning (T0326)S165 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1n57A)C207 Warning: unaligning (T0326)G166 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1n57A)C207 Warning: unaligning (T0326)H182 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (1n57A)P218 Warning: unaligning (T0326)D183 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (1n57A)P218 T0326 3 :INVPSGLP 1n57A 39 :VDYPKPYR T0326 34 :RPLEILILNLMP 1n57A 47 :GKHKILVIAADE T0326 46 :DK 1n57A 66 :GK T0326 48 :IKTEIQLLRLLGNT 1n57A 76 :IETLLPLYHLHAAG T0326 65 :VNVTLLYTETHKPKHTPIEH 1n57A 90 :FEFEVATISGLMTKFEYWAM T0326 88 :FYTTFSAV 1n57A 129 :NPKKLADV T0326 96 :K 1n57A 141 :N T0326 97 :DRKFDGFIIT 1n57A 143 :DSEYAAIFVP T0326 109 :PVELLPFEE 1n57A 155 :HGALIGLPE T0326 121 :WEELTEIMEWSRHNVYSTMFICWA 1n57A 164 :SQDVAAALQWAIKNDRFVISLCHG T0326 152 :FYGIPK 1n57A 194 :LRHGDN T0326 159 :ELPQKL 1n57A 200 :PLNGYS T0326 167 :VY 1n57A 208 :AF T0326 175 :DSVLFRG 1n57A 210 :PDAADKQ T0326 184 :DFFWAP 1n57A 219 :EIGYMP T0326 191 :SRYTEVKKEDIDKVP 1n57A 225 :GHLTWYFGEELKKMG T0326 209 :ILAESDEAG 1n57A 240 :MNIINDDIT T0326 218 :V 1n57A 251 :V T0326 221 :VANKS 1n57A 252 :HKDRK T0326 229 :IFVTGHPEYD 1n57A 257 :LLTGDSPFAA T0326 277 :WSHAHLFFSNWLNYC 1n57A 267 :NALGKLAAQEMLAAY Number of specific fragments extracted= 21 number of extra gaps= 3 total=707 Number of alignments=50 # 1n57A read from 1n57A/merged-good-all-a2m # found chain 1n57A in training set Warning: unaligning (T0326)G107 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1n57A)G154 Warning: unaligning (T0326)A108 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1n57A)G154 Warning: unaligning (T0326)K157 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1n57A)C207 Warning: unaligning (T0326)Y158 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1n57A)C207 Warning: unaligning (T0326)H182 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (1n57A)P218 Warning: unaligning (T0326)D183 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (1n57A)P218 T0326 35 :PLEILILNLMP 1n57A 48 :KHKILVIAADE T0326 47 :K 1n57A 67 :K T0326 49 :KTEIQLLRLLGNTPLQVNVTLLYT 1n57A 76 :IETLLPLYHLHAAGFEFEVATISG T0326 75 :HKPKHTPI 1n57A 100 :LMTKFEYW T0326 83 :EHILKFYTT 1n57A 114 :EKVMPFFEQ T0326 92 :FSAVK 1n57A 133 :LADVV T0326 97 :DRKFDGFIIT 1n57A 143 :DSEYAAIFVP T0326 109 :PVELLPFEEV 1n57A 155 :HGALIGLPES T0326 122 :EELTEIMEWSRHNVYSTMFICWA 1n57A 165 :QDVAAALQWAIKNDRFVISLCHG T0326 152 :FYGIP 1n57A 201 :LNGYS T0326 159 :EL 1n57A 208 :AF T0326 175 :DSVLFRG 1n57A 210 :PDAADKQ T0326 184 :DFFWAPH 1n57A 219 :EIGYMPG T0326 192 :RYTEVKKEDIDKVP 1n57A 226 :HLTWYFGEELKKMG T0326 209 :ILAESDEAGVYVVANKS 1n57A 240 :MNIINDDITGRVHKDRK T0326 230 :FVTGHPEYDRYTLRDEYYRDI 1n57A 257 :LLTGDSPFAANALGKLAAQEM Number of specific fragments extracted= 16 number of extra gaps= 3 total=723 Number of alignments=51 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1k9vF/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1k9vF expands to /projects/compbio/data/pdb/1k9v.pdb.gz 1k9vF:# T0326 read from 1k9vF/merged-good-all-a2m # 1k9vF read from 1k9vF/merged-good-all-a2m # adding 1k9vF to template set # found chain 1k9vF in template set T0326 37 :EILILNL 1k9vF 302 :RIGIISV T0326 63 :LQVNVTLL 1k9vF 309 :GPGNIMNL T0326 71 :YTETHKPK 1k9vF 320 :VKRASENF T0326 79 :HTPIEHILKFYTT 1k9vF 329 :DVSIELVESPRND T0326 99 :KFDGFII 1k9vF 342 :LYDLLFI T0326 107 :GAPVE 1k9vF 349 :PGVGH T0326 115 :FEE 1k9vF 354 :FGE T0326 118 :VDYWEE 1k9vF 358 :MRRLRE T0326 124 :LTEIMEWSRHNVYSTMFICWAAQAG 1k9vF 366 :LIDFVRKHVEDERYVVGVCLGMQLL T0326 153 :YGI 1k9vF 398 :PGV T0326 156 :PKYELPQKLSGVYKHRVAKD 1k9vF 412 :KLRSRRLPHMGWNEVIFKDT T0326 182 :H 1k9vF 432 :F T0326 184 :DFFWA 1k9vF 433 :PNGYY T0326 191 :SRYTEVK 1k9vF 438 :YFVHTYR T0326 199 :EDID 1k9vF 445 :AVCE T0326 205 :PE 1k9vF 449 :EE T0326 207 :LEILAESDEAG 1k9vF 452 :VLGTTEYDGEI T0326 218 :VYVVANKS 1k9vF 464 :PSAVRKGR T0326 228 :QIFVTGHPEYDR 1k9vF 472 :ILGFQFHPEKSS T0326 278 :SHAHLFFSNWLNYCI 1k9vF 484 :KIGRKLLEKVIECSL Number of specific fragments extracted= 20 number of extra gaps= 0 total=743 Number of alignments=52 # 1k9vF read from 1k9vF/merged-good-all-a2m # found chain 1k9vF in template set Warning: unaligning (T0326)L36 because first residue in template chain is (1k9vF)M301 T0326 37 :EILILNLMPDKIKTEIQLLRLLGNTPLQVNVTLLYTE 1k9vF 302 :RIGIISVGPGNIMNLYRGVKRASENFEDVSIELVESP T0326 96 :KDRKFDGFIITGAPV 1k9vF 339 :RNDLYDLLFIPGVGH T0326 115 :FEEV 1k9vF 354 :FGEG T0326 119 :DYWEE 1k9vF 359 :RRLRE T0326 124 :LTEIMEWSRHNVYSTMFICWAAQ 1k9vF 366 :LIDFVRKHVEDERYVVGVCLGMQ T0326 152 :FYGIP 1k9vF 397 :APGVK T0326 157 :KYELPQKLSGVYKHRVAKD 1k9vF 413 :LRSRRLPHMGWNEVIFKDT T0326 182 :H 1k9vF 432 :F T0326 183 :DDFFWAPHSRYTEVKKED 1k9vF 434 :NGYYYFVHTYRAVCEEEH T0326 209 :ILAES 1k9vF 452 :VLGTT T0326 214 :DEAGVYVVANKS 1k9vF 459 :DGEIFPSAVRKG T0326 227 :RQIFVTGHPEYDRYTLRDEYYRD 1k9vF 471 :RILGFQFHPEKSSKIGRKLLEKV T0326 288 :LNY 1k9vF 494 :IEC Number of specific fragments extracted= 13 number of extra gaps= 0 total=756 Number of alignments=53 # 1k9vF read from 1k9vF/merged-good-all-a2m # found chain 1k9vF in template set Warning: unaligning (T0326)L36 because first residue in template chain is (1k9vF)M301 T0326 37 :EILILNLMPDKIKTEIQLLRLLGNTPLQVNVTLLYTETHKP 1k9vF 302 :RIGIISVGPGNIMNLYRGVKRASENFEDVSIELVESPRNDL T0326 100 :FDGFIITGAPV 1k9vF 343 :YDLLFIPGVGH T0326 115 :F 1k9vF 354 :F T0326 118 :VDYWEELTE 1k9vF 355 :GEGMRRLRE T0326 127 :IMEWSRHNVYSTMFICWAAQ 1k9vF 369 :FVRKHVEDERYVVGVCLGMQ T0326 153 :YGIPKYEL 1k9vF 398 :PGVKGLSL T0326 161 :PQKLSGVYKHRVAKDSV 1k9vF 417 :RLPHMGWNEVIFKDTFP T0326 183 :DDFFWAPHSRYTEVKKED 1k9vF 434 :NGYYYFVHTYRAVCEEEH T0326 209 :ILAE 1k9vF 452 :VLGT T0326 213 :SDEAGVYVVANK 1k9vF 459 :DGEIFPSAVRKG T0326 227 :RQIFVTGHPEYDRYTLRDEYYRDIG 1k9vF 471 :RILGFQFHPEKSSKIGRKLLEKVIE Number of specific fragments extracted= 11 number of extra gaps= 0 total=767 Number of alignments=54 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1t36B/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0326/1t36B/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0326/1t36B/merged-good-all-a2m.gz for input Trying 1t36B/merged-good-all-a2m Error: Couldn't open file 1t36B/merged-good-all-a2m or 1t36B/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1u9cA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0326 read from 1u9cA/merged-good-all-a2m # 1u9cA read from 1u9cA/merged-good-all-a2m # found chain 1u9cA in training set Warning: unaligning (T0326)R34 because first residue in template chain is (1u9cA)M1 Warning: unaligning (T0326)G107 because of BadResidue code BAD_PEPTIDE in next template residue (1u9cA)G95 Warning: unaligning (T0326)A108 because of BadResidue code BAD_PEPTIDE at template residue (1u9cA)G95 Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1u9cA)H127 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1u9cA)H127 T0326 35 :PLEILILNLMPDKIKTEIQ 1u9cA 2 :SKRVLMVVTNHTTITDDHK T0326 61 :TPLQVNVTLLYTETHKPKHTPIEHI 1u9cA 21 :TGLWLEEFAVPYLVFQEKGYDVKVA T0326 86 :LKFYTTFSAVKDR 1u9cA 60 :NEKDPSWAEAEAA T0326 99 :KFDGFIIT 1u9cA 86 :GFDAIFLP T0326 109 :PVE 1u9cA 96 :HGT T0326 115 :FEEVDYWEELTEIMEWSRHNVYSTMF 1u9cA 99 :MFDFPDNETLQYVLQQFAEDGRIIAA T0326 144 :A 1u9cA 128 :G T0326 153 :YGI 1u9cA 133 :VNA T0326 157 :KYE 1u9cA 136 :TYK T0326 174 :KDSVLFRGH 1u9cA 139 :DGTPIVKGK T0326 187 :WA 1u9cA 148 :TV T0326 191 :SRYT 1u9cA 150 :TSFT T0326 199 :EDIDKVP 1u9cA 161 :GLDVHMP T0326 206 :ELEILAESDEAG 1u9cA 178 :GANFVRGGKWTD T0326 219 :YVVANKS 1u9cA 190 :FSVRDGN T0326 228 :QIFVTG 1u9cA 197 :LITGQN T0326 235 :PEYD 1u9cA 203 :PQSS T0326 277 :WSHAHLFFSN 1u9cA 207 :RSTAEKVVAA Number of specific fragments extracted= 18 number of extra gaps= 1 total=785 Number of alignments=55 # 1u9cA read from 1u9cA/merged-good-all-a2m # found chain 1u9cA in training set Warning: unaligning (T0326)R34 because first residue in template chain is (1u9cA)M1 Warning: unaligning (T0326)G107 because of BadResidue code BAD_PEPTIDE in next template residue (1u9cA)G95 Warning: unaligning (T0326)A108 because of BadResidue code BAD_PEPTIDE at template residue (1u9cA)G95 Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1u9cA)H127 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1u9cA)H127 T0326 35 :PLEILILNLMP 1u9cA 2 :SKRVLMVVTNH T0326 46 :DK 1u9cA 17 :DD T0326 48 :IKTEIQLLRLLGNTPLQVNVTLLY 1u9cA 25 :LEEFAVPYLVFQEKGYDVKVASIQ T0326 72 :TETHKPKHTPIEH 1u9cA 54 :LDPRSINEKDPSW T0326 85 :ILK 1u9cA 76 :TAR T0326 92 :FSAVKDRKFDGFIIT 1u9cA 79 :LSKDDAHGFDAIFLP T0326 109 :PVE 1u9cA 102 :FPD T0326 121 :WEELTEIMEWSRHNVYSTMF 1u9cA 105 :NETLQYVLQQFAEDGRIIAA T0326 144 :A 1u9cA 128 :G T0326 152 :FYGIP 1u9cA 132 :LVNAT T0326 173 :AKDS 1u9cA 137 :YKDG T0326 177 :VLFRG 1u9cA 142 :PIVKG T0326 184 :DFFWA 1u9cA 147 :KTVTS T0326 189 :PHSRYTEVKKEDIDKV 1u9cA 162 :LDVHMPFLLESTLRLR T0326 206 :ELEILAESDEAG 1u9cA 178 :GANFVRGGKWTD T0326 220 :VVANKS 1u9cA 191 :SVRDGN T0326 229 :IFVTGHPEYDR 1u9cA 197 :LITGQNPQSSR T0326 241 :TLRDEYYRDIGRN 1u9cA 208 :STAEKVVAALEER Number of specific fragments extracted= 18 number of extra gaps= 1 total=803 Number of alignments=56 # 1u9cA read from 1u9cA/merged-good-all-a2m # found chain 1u9cA in training set Warning: unaligning (T0326)R34 because first residue in template chain is (1u9cA)M1 Warning: unaligning (T0326)G107 because of BadResidue code BAD_PEPTIDE in next template residue (1u9cA)G95 Warning: unaligning (T0326)A108 because of BadResidue code BAD_PEPTIDE at template residue (1u9cA)G95 Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1u9cA)H127 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1u9cA)H127 T0326 35 :PLEILILNLMPDKI 1u9cA 2 :SKRVLMVVTNHTTI T0326 49 :KTEIQLLRLLGNTPLQVNVTLL 1u9cA 26 :EEFAVPYLVFQEKGYDVKVASI T0326 71 :YTETHKPKHTPIEHILKFYTT 1u9cA 55 :DPRSINEKDPSWAEAEAALKH T0326 98 :RKFDGFIIT 1u9cA 85 :HGFDAIFLP T0326 122 :EELTEIMEWSRHNVYSTMF 1u9cA 106 :ETLQYVLQQFAEDGRIIAA T0326 144 :A 1u9cA 128 :G T0326 164 :LSGVYKHRVAKDSVLFRGH 1u9cA 129 :PSGLVNATYKDGTPIVKGK T0326 187 :WAPH 1u9cA 148 :TVTS T0326 196 :VKKEDIDKVP 1u9cA 152 :FTDEEEREVG T0326 206 :ELEILAESDEAGV 1u9cA 178 :GANFVRGGKWTDF T0326 220 :VVANKS 1u9cA 191 :SVRDGN T0326 230 :FVTGHPEYDRYTLRDEYYRDIGRN 1u9cA 197 :LITGQNPQSSRSTAEKVVAALEER Number of specific fragments extracted= 12 number of extra gaps= 1 total=815 Number of alignments=57 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2a9vA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0326/2a9vA/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0326/2a9vA/merged-good-all-a2m.gz for input Trying 2a9vA/merged-good-all-a2m Error: Couldn't open file 2a9vA/merged-good-all-a2m or 2a9vA/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1jdbC/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0326/1jdbC/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0326/1jdbC/merged-good-all-a2m.gz for input Trying 1jdbC/merged-good-all-a2m Error: Couldn't open file 1jdbC/merged-good-all-a2m or 1jdbC/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1i1qB/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1i1qB expands to /projects/compbio/data/pdb/1i1q.pdb.gz 1i1qB:# T0326 read from 1i1qB/merged-good-all-a2m # 1i1qB read from 1i1qB/merged-good-all-a2m # adding 1i1qB to template set # found chain 1i1qB in template set Warning: unaligning (T0326)E159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1i1qB)I103 Warning: unaligning (T0326)K163 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1i1qB)I103 Warning: unaligning (T0326)E195 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1i1qB)S137 Warning: unaligning (T0326)D202 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1i1qB)S137 T0326 57 :LLGNTPLQVNVTLLYTETHKPKHTPIEHI 1i1qB 2 :DILLLDNIDSFTWNLADQLRTNGHNVVIY T0326 87 :KFYTTFSAVKDR 1i1qB 31 :RNHIPAQTLIDR T0326 99 :KFDGFIITGAPVE 1i1qB 47 :KNPVLMLSPGPGV T0326 115 :FEEVDYW 1i1qB 60 :PSEAGCM T0326 125 :TEIMEWSR 1i1qB 67 :PELLTRLR T0326 134 :NVYSTMFICWAAQAGLYYF 1i1qB 75 :GKLPIIGICLGHQAIVEAY T0326 154 :GIPKY 1i1qB 94 :GGYVG T0326 164 :LSGV 1i1qB 104 :LHGK T0326 168 :YKHRV 1i1qB 109 :TSIEH T0326 174 :KDSVLFRGHDDFFWA 1i1qB 114 :DGQAMFAGLANPLPV T0326 191 :SRYT 1i1qB 129 :ARYH T0326 203 :KVPE 1i1qB 138 :NVPA T0326 207 :LEILAESDE 1i1qB 143 :LTINAHFNG T0326 217 :GVYVVANKSERQIFVTGHPEYDRYTLRDEYYRDIG 1i1qB 152 :MVMAVRHDADRVCGFQFHPESILTTQGARLLEQTL Number of specific fragments extracted= 14 number of extra gaps= 0 total=829 Number of alignments=58 # 1i1qB read from 1i1qB/merged-good-all-a2m # found chain 1i1qB in template set Warning: unaligning (T0326)L36 because first residue in template chain is (1i1qB)A1 Warning: unaligning (T0326)Y158 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1i1qB)I103 Warning: unaligning (T0326)Q162 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1i1qB)I103 Warning: unaligning (T0326)K198 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1i1qB)S137 Warning: unaligning (T0326)D202 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1i1qB)S137 T0326 37 :EILILNLMPDKIKTEIQLLRLLG 1i1qB 2 :DILLLDNIDSFTWNLADQLRTNG T0326 65 :VNVTLLYTE 1i1qB 25 :HNVVIYRNH T0326 80 :TPIEHIL 1i1qB 34 :IPAQTLI T0326 93 :SAVKDRKFDGFIITGAPVE 1i1qB 41 :DRLATMKNPVLMLSPGPGV T0326 115 :FEEVD 1i1qB 60 :PSEAG T0326 123 :ELTEIMEWSRHN 1i1qB 65 :CMPELLTRLRGK T0326 136 :YSTMFICWAAQAGLYYFYGIPK 1i1qB 77 :LPIIGICLGHQAIVEAYGGYVG T0326 163 :KLSGVYKHRVAK 1i1qB 104 :LHGKATSIEHDG T0326 176 :SVLFRGHDDFFWA 1i1qB 116 :QAMFAGLANPLPV T0326 194 :TEVK 1i1qB 129 :ARYH T0326 203 :KVP 1i1qB 138 :NVP T0326 206 :ELEILAESDE 1i1qB 142 :GLTINAHFNG T0326 217 :GVYVVANKSERQIFVTGHPEYDR 1i1qB 152 :MVMAVRHDADRVCGFQFHPESIL T0326 278 :SHAHLFFSNWLNYC 1i1qB 176 :TQGARLLEQTLAWA Number of specific fragments extracted= 14 number of extra gaps= 0 total=843 Number of alignments=59 # 1i1qB read from 1i1qB/merged-good-all-a2m # found chain 1i1qB in template set Warning: unaligning (T0326)E159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1i1qB)I103 Warning: unaligning (T0326)K163 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1i1qB)I103 Warning: unaligning (T0326)S191 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1i1qB)S137 Warning: unaligning (T0326)T194 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1i1qB)S137 T0326 37 :EILILNLMPDK 1i1qB 2 :DILLLDNIDSF T0326 51 :EIQLLRLLGNTPLQVNVTL 1i1qB 13 :TWNLADQLRTNGHNVVIYR T0326 78 :KHTPIEHILK 1i1qB 32 :NHIPAQTLID T0326 94 :AVKDRKFDGFIITGAPV 1i1qB 42 :RLATMKNPVLMLSPGPG T0326 114 :PFEEVDY 1i1qB 59 :VPSEAGC T0326 124 :LTEIMEWSRH 1i1qB 66 :MPELLTRLRG T0326 135 :VYSTMFICWAAQAGLY 1i1qB 76 :KLPIIGICLGHQAIVE T0326 152 :FYGIPKY 1i1qB 92 :AYGGYVG T0326 164 :LSGVYKHRVAKDSVLFRGHDDFFWA 1i1qB 104 :LHGKATSIEHDGQAMFAGLANPLPV T0326 189 :PH 1i1qB 131 :YH T0326 195 :EVK 1i1qB 138 :NVP T0326 205 :PELEILAESDE 1i1qB 141 :AGLTINAHFNG T0326 217 :GVYVVANKSERQIFVTGHPEYDRYTLR 1i1qB 152 :MVMAVRHDADRVCGFQFHPESILTTQG T0326 281 :HLFFSNW 1i1qB 179 :ARLLEQT Number of specific fragments extracted= 14 number of extra gaps= 0 total=857 Number of alignments=60 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1s1mA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0326/1s1mA/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0326/1s1mA/merged-good-all-a2m.gz for input Trying 1s1mA/merged-good-all-a2m Error: Couldn't open file 1s1mA/merged-good-all-a2m or 1s1mA/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vcoA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1vcoA expands to /projects/compbio/data/pdb/1vco.pdb.gz 1vcoA:# T0326 read from 1vcoA/merged-good-all-a2m # 1vcoA read from 1vcoA/merged-good-all-a2m # adding 1vcoA to template set # found chain 1vcoA in template set Warning: unaligning (T0326)L58 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vcoA)D314 Warning: unaligning (T0326)P62 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vcoA)D314 Warning: unaligning (T0326)T90 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vcoA)A347 Warning: unaligning (T0326)K157 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vcoA)G438 Warning: unaligning (T0326)P161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vcoA)G438 T0326 13 :KVLAK 1vcoA 288 :QEAVR T0326 28 :AIHQDIRPLEILILNLM 1vcoA 293 :VLKHPERTVKIAIAGKY T0326 63 :LQVNVTLLYTETHKPKHTPIEHILKF 1vcoA 315 :AYLSLLEALRHAGIKNRARVEVKWVD T0326 91 :TFSAV 1vcoA 348 :DLEEA T0326 97 :DRKFDGFIITGAP 1vcoA 353 :FRDVSGILVPGGF T0326 111 :EL 1vcoA 366 :GV T0326 119 :DYWEELTEIMEWSRHNVYSTMFICWAAQAGLYYF 1vcoA 368 :RGIEGKVRAAQYARERKIPYLGICLGLQIAVIEF T0326 153 :YGI 1vcoA 409 :KGA T0326 156 :P 1vcoA 433 :E T0326 162 :QKL 1vcoA 439 :GTM T0326 165 :SGVYKHRVAKDSVLFRGHD 1vcoA 443 :LGDWPMRIKPGTLLHRLYG T0326 184 :DFFWA 1vcoA 463 :EEVLE T0326 193 :YTEVK 1vcoA 468 :RHRHR T0326 199 :EDID 1vcoA 473 :YEVN T0326 206 :ELEILAES 1vcoA 487 :GLVVSATT T0326 214 :D 1vcoA 498 :R T0326 215 :EAGVYVVANKSER 1vcoA 502 :AGLVEAIELKDHP T0326 228 :QIFVTGHPEYDRYTL 1vcoA 516 :FLGLQSHPEFKSRPM T0326 253 :NLK 1vcoA 531 :RPS T0326 282 :LFFSNWLNYCIY 1vcoA 534 :PPFVGFVEAALA Number of specific fragments extracted= 20 number of extra gaps= 0 total=877 Number of alignments=61 # 1vcoA read from 1vcoA/merged-good-all-a2m # found chain 1vcoA in template set Warning: unaligning (T0326)D46 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vcoA)D314 Warning: unaligning (T0326)H75 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vcoA)A347 Warning: unaligning (T0326)T90 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vcoA)A347 Warning: unaligning (T0326)L160 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vcoA)G438 T0326 11 :AVKVLAKEG 1vcoA 290 :AVRVLKHPE T0326 34 :RPLEILILNLM 1vcoA 299 :RTVKIAIAGKY T0326 47 :K 1vcoA 315 :A T0326 48 :IKTEIQLLRLLG 1vcoA 319 :LLEALRHAGIKN T0326 62 :PLQVNVTLLYTET 1vcoA 331 :RARVEVKWVDAES T0326 91 :TFSAV 1vcoA 348 :DLEEA T0326 97 :DRKFDGFIITGAP 1vcoA 353 :FRDVSGILVPGGF T0326 117 :EVDYWEELTEIMEWSRHNVYSTMFICWAAQAGLYY 1vcoA 366 :GVRGIEGKVRAAQYARERKIPYLGICLGLQIAVIE T0326 153 :YGIP 1vcoA 409 :KGAN T0326 161 :PQKLSGVYKHRVAKDSVLFRGH 1vcoA 439 :GTMRLGDWPMRIKPGTLLHRLY T0326 183 :DDFFWAPHSRYTEVK 1vcoA 462 :KEEVLERHRHRYEVN T0326 198 :KEDIDKV 1vcoA 480 :VDGLERA T0326 206 :ELEILAES 1vcoA 487 :GLVVSATT T0326 214 :DEAG 1vcoA 498 :RGRG T0326 218 :VYVVANKSER 1vcoA 505 :VEAIELKDHP T0326 228 :QIFVTGHPEYDR 1vcoA 516 :FLGLQSHPEFKS T0326 267 :DPTKTP 1vcoA 528 :RPMRPS T0326 282 :LFFSNWLNYCI 1vcoA 534 :PPFVGFVEAAL Number of specific fragments extracted= 18 number of extra gaps= 0 total=895 Number of alignments=62 # 1vcoA read from 1vcoA/merged-good-all-a2m # found chain 1vcoA in template set Warning: unaligning (T0326)D46 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vcoA)D314 Warning: unaligning (T0326)H75 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vcoA)A347 Warning: unaligning (T0326)T90 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vcoA)A347 Warning: unaligning (T0326)L160 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vcoA)G438 T0326 27 :RAIHQDIRPLEILILNL 1vcoA 292 :RVLKHPERTVKIAIAGK T0326 47 :KIKTEIQLLRLL 1vcoA 315 :AYLSLLEALRHA T0326 60 :NTPLQVNVTLLYTET 1vcoA 329 :KNRARVEVKWVDAES T0326 91 :TFSAV 1vcoA 348 :DLEEA T0326 97 :DRKFDGFIITGAP 1vcoA 353 :FRDVSGILVPGGF T0326 117 :EVDYWEELTEIMEWSRHNVYSTMFICWAAQAGLYYF 1vcoA 366 :GVRGIEGKVRAAQYARERKIPYLGICLGLQIAVIEF T0326 154 :GIPKY 1vcoA 419 :HTPHP T0326 161 :PQKLSGVYKHRVAKDSVLFR 1vcoA 439 :GTMRLGDWPMRIKPGTLLHR T0326 182 :HDDFFWAPHSRYTEVK 1vcoA 461 :GKEEVLERHRHRYEVN T0326 199 :EDIDKVP 1vcoA 481 :DGLERAG T0326 207 :LEILA 1vcoA 488 :LVVSA T0326 212 :ESDEAGVYVVANKSERQIFVTGHPEYD 1vcoA 500 :RGAGLVEAIELKDHPFFLGLQSHPEFK Number of specific fragments extracted= 12 number of extra gaps= 0 total=907 Number of alignments=63 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1p5fA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0326 read from 1p5fA/merged-good-all-a2m # 1p5fA read from 1p5fA/merged-good-all-a2m # found chain 1p5fA in training set Warning: unaligning (T0326)I141 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1p5fA)C106 Warning: unaligning (T0326)C142 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1p5fA)C106 Warning: unaligning (T0326)W143 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1p5fA)A107 T0326 56 :RLLGNTPLQVNVT 1p5fA 5 :RALVILAKGAEEM T0326 69 :LLYTETHKPKHTPIEHI 1p5fA 20 :VIPVDVMRRAGIKVTVA T0326 86 :LKFYTTFSAVKDR 1p5fA 52 :ICPDASLEDAKKE T0326 99 :KFDGFIITGA 1p5fA 66 :PYDVVVLPGG T0326 115 :FEEVDYWEELTEIMEWSRHNVYSTMF 1p5fA 79 :AQNLSESAAVKEILKEQENRKGLIAA T0326 144 :AAQAGLYY 1p5fA 108 :GPTALLAH T0326 153 :YGIPKYELPQ 1p5fA 119 :FGSKVTTHPL Number of specific fragments extracted= 7 number of extra gaps= 1 total=914 Number of alignments=64 # 1p5fA read from 1p5fA/merged-good-all-a2m # found chain 1p5fA in training set Warning: unaligning (T0326)P35 because first residue in template chain is (1p5fA)S3 Warning: unaligning (T0326)L36 because of BadResidue code BAD_PEPTIDE at template residue (1p5fA)K4 Warning: unaligning (T0326)I141 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1p5fA)C106 Warning: unaligning (T0326)C142 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1p5fA)C106 Warning: unaligning (T0326)W143 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1p5fA)A107 T0326 37 :EILILNLMP 1p5fA 5 :RALVILAKG T0326 48 :IKTEIQLLRLLG 1p5fA 19 :TVIPVDVMRRAG T0326 65 :VNVTLLYTETHKPKHTPIEHILKFYTTFSAV 1p5fA 31 :IKVTVAGLAGKDPVQCSRDVVICPDASLEDA T0326 96 :KDRKFDGFIITGA 1p5fA 63 :KEGPYDVVVLPGG T0326 115 :FEEVDYWEELTEIMEWSRHNVYSTMF 1p5fA 79 :AQNLSESAAVKEILKEQENRKGLIAA T0326 144 :AAQAGLYY 1p5fA 108 :GPTALLAH T0326 182 :HDDFFWA 1p5fA 119 :FGSKVTT T0326 194 :TEVKKEDIDK 1p5fA 126 :HPLAKDKMMN T0326 206 :ELEILAESD 1p5fA 136 :GGHYTYSEN T0326 217 :GVY 1p5fA 145 :RVE T0326 224 :KSERQIFV 1p5fA 148 :KDGLILTS T0326 237 :YDRYTLRDEY 1p5fA 156 :RGPGTSFEFA T0326 281 :HLFF 1p5fA 166 :LAIV Number of specific fragments extracted= 13 number of extra gaps= 1 total=927 Number of alignments=65 # 1p5fA read from 1p5fA/merged-good-all-a2m # found chain 1p5fA in training set Warning: unaligning (T0326)I141 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1p5fA)C106 Warning: unaligning (T0326)C142 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1p5fA)C106 Warning: unaligning (T0326)W143 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1p5fA)A107 T0326 37 :E 1p5fA 5 :R T0326 39 :LILNLMPDKI 1p5fA 6 :ALVILAKGAE T0326 49 :KTEIQLLRLLGNTPLQVNVTL 1p5fA 17 :METVIPVDVMRRAGIKVTVAG T0326 70 :LYTETHKP 1p5fA 44 :VQCSRDVV T0326 88 :FYTTFSAVKDR 1p5fA 54 :PDASLEDAKKE T0326 99 :KFDGFIITGA 1p5fA 66 :PYDVVVLPGG T0326 120 :YWEELTEIMEWSRHNVYSTMF 1p5fA 84 :ESAAVKEILKEQENRKGLIAA T0326 144 :AAQAGLYY 1p5fA 108 :GPTALLAH T0326 153 :YGIPKYELPQK 1p5fA 119 :FGSKVTTHPLA T0326 198 :KEDIDKVPE 1p5fA 130 :KDKMMNGGH T0326 209 :ILAESDEAGV 1p5fA 139 :YTYSENRVEK T0326 223 :N 1p5fA 149 :D T0326 226 :ERQIFVT 1p5fA 150 :GLILTSR T0326 238 :DRYTLRDEYY 1p5fA 157 :GPGTSFEFAL Number of specific fragments extracted= 14 number of extra gaps= 1 total=941 Number of alignments=66 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1t0bA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0326 read from 1t0bA/merged-good-all-a2m # 1t0bA read from 1t0bA/merged-good-all-a2m # found chain 1t0bA in training set Warning: unaligning (T0326)R34 because first residue in template chain is (1t0bA)T3 Warning: unaligning (T0326)K47 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1t0bA)D19 Warning: unaligning (T0326)I48 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1t0bA)D19 Warning: unaligning (T0326)E195 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1t0bA)Y155 Warning: unaligning (T0326)V196 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1t0bA)Y155 Warning: unaligning (T0326)D200 because of BadResidue code BAD_PEPTIDE in next template residue (1t0bA)F158 Warning: unaligning (T0326)I201 because of BadResidue code BAD_PEPTIDE at template residue (1t0bA)F158 Warning: unaligning (T0326)I258 because of BadResidue code BAD_PEPTIDE in next template residue (1t0bA)R226 Warning: unaligning (T0326)P259 because of BadResidue code BAD_PEPTIDE at template residue (1t0bA)R226 T0326 35 :PLEILILNLMP 1t0bA 4 :PIRVVVWNEFR T0326 46 :D 1t0bA 17 :K T0326 49 :KTEIQL 1t0bA 20 :EQVRAI T0326 63 :LQVNVTLLYTETHKPKHTPIEHI 1t0bA 26 :YPEGMHTVIASYLAEAGFDAATA T0326 87 :KFYTTF 1t0bA 49 :VLDEPE T0326 93 :SAVKD 1t0bA 59 :DEVLD T0326 99 :KFDGFIITG 1t0bA 64 :RCDVLVWWG T0326 112 :LLPFEEV 1t0bA 73 :HIAHDEV T0326 121 :WEELTEIMEWSRHNVYSTMFI 1t0bA 80 :KDEVVERVHRRVLEGMGLIVL T0326 148 :GLYYFYG 1t0bA 108 :IFKKLMG T0326 156 :PKYELPQKL 1t0bA 115 :TTCNLKWRE T0326 165 :SGVYKHRV 1t0bA 125 :DEKERLWV T0326 173 :AKDSVLFRGHDDFFWA 1t0bA 134 :APGHPIVEGIGPYIEL T0326 191 :SRYT 1t0bA 150 :EQEE T0326 197 :K 1t0bA 156 :G T0326 202 :DKVPE 1t0bA 159 :FDIPE T0326 207 :LEILAES 1t0bA 165 :DETIFIS T0326 214 :DEAG 1t0bA 174 :EGGE T0326 218 :VYVVANKSERQIFVT 1t0bA 182 :GCTFTRGKGKIFYFR T0326 233 :GHPEYD 1t0bA 198 :GHETYP T0326 239 :RYTLRDEYYRDIGRNLKVP 1t0bA 206 :HHPDVLKVIANAVRWAAPV T0326 260 :ANYFPNDDPTKTPI 1t0bA 227 :GEIVFGNVKPLEPI Number of specific fragments extracted= 22 number of extra gaps= 4 total=963 Number of alignments=67 # 1t0bA read from 1t0bA/merged-good-all-a2m # found chain 1t0bA in training set Warning: unaligning (T0326)R34 because first residue in template chain is (1t0bA)T3 Warning: unaligning (T0326)N253 because of BadResidue code BAD_PEPTIDE in next template residue (1t0bA)R226 Warning: unaligning (T0326)L254 because of BadResidue code BAD_PEPTIDE at template residue (1t0bA)R226 Warning: unaligning (T0326)K270 because last residue in template chain is (1t0bA)A242 T0326 35 :PLEILILNLM 1t0bA 4 :PIRVVVWNEF T0326 45 :PDK 1t0bA 27 :PEG T0326 48 :IKTEIQLLRLLG 1t0bA 31 :HTVIASYLAEAG T0326 65 :VNVTLLYTETHKPKHT 1t0bA 43 :FDAATAVLDEPEHGLT T0326 93 :SA 1t0bA 59 :DE T0326 97 :DRKFDGFIITGAPV 1t0bA 62 :LDRCDVLVWWGHIA T0326 115 :FEEV 1t0bA 76 :HDEV T0326 121 :WEELTEIMEWSRHNVYSTMFI 1t0bA 80 :KDEVVERVHRRVLEGMGLIVL T0326 148 :GLYYFYGIPK 1t0bA 108 :IFKKLMGTTC T0326 159 :ELPQKLSGV 1t0bA 118 :NLKWREADE T0326 168 :YKHR 1t0bA 128 :ERLW T0326 172 :VAKDSVLFRGHDDFFWA 1t0bA 133 :VAPGHPIVEGIGPYIEL T0326 201 :IDKVP 1t0bA 161 :IPEPD T0326 208 :EILAE 1t0bA 166 :ETIFI T0326 213 :SDEAG 1t0bA 173 :FEGGE T0326 218 :VYVVANKSERQIFVTG 1t0bA 182 :GCTFTRGKGKIFYFRP T0326 234 :HPEYDRYTLRDEYYRDIG 1t0bA 202 :YPTYHHPDVLKVIANAVR T0326 252 :R 1t0bA 224 :V T0326 255 :KVPIPANYFPNDDPT 1t0bA 227 :GEIVFGNVKPLEPIK Number of specific fragments extracted= 19 number of extra gaps= 1 total=982 Number of alignments=68 # 1t0bA read from 1t0bA/merged-good-all-a2m # found chain 1t0bA in training set Warning: unaligning (T0326)R34 because first residue in template chain is (1t0bA)T3 Warning: unaligning (T0326)T194 because of BadResidue code BAD_PEPTIDE in next template residue (1t0bA)F158 Warning: unaligning (T0326)E195 because of BadResidue code BAD_PEPTIDE at template residue (1t0bA)F158 Warning: unaligning (T0326)P257 because of BadResidue code BAD_PEPTIDE in next template residue (1t0bA)R226 Warning: unaligning (T0326)I258 because of BadResidue code BAD_PEPTIDE at template residue (1t0bA)R226 Warning: unaligning (T0326)L274 because last residue in template chain is (1t0bA)A242 T0326 35 :PLEILILNLMPDKI 1t0bA 4 :PIRVVVWNEFRHEK T0326 50 :TEIQLLRLLGNTPLQVNVTLLYTETHKPK 1t0bA 30 :MHTVIASYLAEAGFDAATAVLDEPEHGLT T0326 93 :SAVK 1t0bA 59 :DEVL T0326 98 :RKFDGFIITG 1t0bA 63 :DRCDVLVWWG T0326 112 :LLPFEEVD 1t0bA 73 :HIAHDEVK T0326 120 :YWEELTEI 1t0bA 83 :VVERVHRR T0326 131 :SRHNV 1t0bA 91 :VLEGM T0326 137 :STMFI 1t0bA 96 :GLIVL T0326 148 :GLYYFYGIPKYELPQKLSGVYKHRVAKD 1t0bA 108 :IFKKLMGTTCNLKWREADEKERLWVVAP T0326 176 :SVLFRGHDDFFWAPHS 1t0bA 137 :HPIVEGIGPYIELEQE T0326 196 :VK 1t0bA 159 :FD T0326 204 :VPELEILA 1t0bA 161 :IPEPDETI T0326 212 :ESDEA 1t0bA 174 :EGGEV T0326 217 :G 1t0bA 180 :R T0326 218 :VYVVANKSERQIFVTG 1t0bA 182 :GCTFTRGKGKIFYFRP T0326 234 :H 1t0bA 199 :H T0326 235 :PEYDRYTLRDEYYRDIGRNLKV 1t0bA 203 :PTYHHPDVLKVIANAVRWAAPV T0326 259 :PANYFPNDDPTKTPI 1t0bA 227 :GEIVFGNVKPLEPIK Number of specific fragments extracted= 18 number of extra gaps= 2 total=1000 Number of alignments=69 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1i7qB/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1i7qB expands to /projects/compbio/data/pdb/1i7q.pdb.gz 1i7qB:# T0326 read from 1i7qB/merged-good-all-a2m # 1i7qB read from 1i7qB/merged-good-all-a2m # adding 1i7qB to template set # found chain 1i7qB in template set Warning: unaligning (T0326)R56 because first residue in template chain is (1i7qB)A2 Warning: unaligning (T0326)K87 because of BadResidue code BAD_PEPTIDE in next template residue (1i7qB)N33 Warning: unaligning (T0326)F88 because of BadResidue code BAD_PEPTIDE at template residue (1i7qB)N33 T0326 57 :LLGNTPLQVNVTLLYTETHKPKHTPIEHI 1i7qB 3 :DILLLDNVDSFTYNLVDQLRASGHQVVIY T0326 89 :YTTFSAVKDR 1i7qB 34 :QIGAEVIIER T0326 99 :KFDGFIITGAPVE 1i7qB 49 :EQPVLMLSPGPGT T0326 115 :FEEVDYW 1i7qB 62 :PSEAGCM T0326 125 :TEIMEWSR 1i7qB 69 :PELLQRLR T0326 134 :NVYSTMFICWAAQAGLYYFYG 1i7qB 77 :GQLPIIGICLGHQAIVEAYGG T0326 156 :PKYELPQKLSGV 1i7qB 98 :QVGQAGEILHGK T0326 168 :YKHRV 1i7qB 111 :SAIAH T0326 174 :KDSVLFRGHDDFFWA 1i7qB 116 :DGEGMFAGMANPLPV T0326 191 :SRYTEVK 1i7qB 131 :ARYHSLV T0326 201 :IDKVPE 1i7qB 138 :GSNIPA T0326 207 :LEILAESDEA 1i7qB 146 :LTVNARFGEM T0326 218 :VYVVANKSERQIFVTGHPEYDRYTLRDEYYRD 1i7qB 156 :VMAVRDDRRRVCGFQFHPESILTTHGARLLEQ T0326 287 :WLNY 1i7qB 188 :TLAW Number of specific fragments extracted= 14 number of extra gaps= 1 total=1014 Number of alignments=70 # 1i7qB read from 1i7qB/merged-good-all-a2m # found chain 1i7qB in template set Warning: unaligning (T0326)L36 because first residue in template chain is (1i7qB)A2 Warning: unaligning (T0326)Y71 because of BadResidue code BAD_PEPTIDE in next template residue (1i7qB)N33 Warning: unaligning (T0326)T72 because of BadResidue code BAD_PEPTIDE at template residue (1i7qB)N33 T0326 37 :EILILNLMPDKIKTEIQLLRLLG 1i7qB 3 :DILLLDNVDSFTYNLVDQLRASG T0326 65 :VNVTLL 1i7qB 26 :HQVVIY T0326 73 :E 1i7qB 34 :Q T0326 90 :TTFSAV 1i7qB 35 :IGAEVI T0326 96 :KDRKFDGFIITGAPVE 1i7qB 45 :QHMEQPVLMLSPGPGT T0326 115 :FEEVD 1i7qB 62 :PSEAG T0326 123 :ELTEIMEWSRHN 1i7qB 67 :CMPELLQRLRGQ T0326 136 :YSTMFICWAAQAGLYYFYGIPKYELPQKLSGVYKHRVA 1i7qB 79 :LPIIGICLGHQAIVEAYGGQVGQAGEILHGKASAIAHD T0326 175 :DSVLFRGHDDFFWA 1i7qB 117 :GEGMFAGMANPLPV T0326 191 :SRY 1i7qB 131 :ARY T0326 202 :DKVP 1i7qB 139 :SNIP T0326 206 :ELEILAESDE 1i7qB 145 :DLTVNARFGE T0326 217 :GVYVVANKSERQIFVTGHPEYDR 1i7qB 155 :MVMAVRDDRRRVCGFQFHPESIL T0326 277 :WSHAHLFFSNWLNYC 1i7qB 178 :TTHGARLLEQTLAWA Number of specific fragments extracted= 14 number of extra gaps= 1 total=1028 Number of alignments=71 # 1i7qB read from 1i7qB/merged-good-all-a2m # found chain 1i7qB in template set Warning: unaligning (T0326)L36 because first residue in template chain is (1i7qB)A2 Warning: unaligning (T0326)L69 because of BadResidue code BAD_PEPTIDE in next template residue (1i7qB)N33 Warning: unaligning (T0326)K78 because of BadResidue code BAD_PEPTIDE at template residue (1i7qB)N33 T0326 37 :EILILNLMPDK 1i7qB 3 :DILLLDNVDSF T0326 51 :EIQLLRLLGNTPLQVNVT 1i7qB 14 :TYNLVDQLRASGHQVVIY T0326 79 :HTPIEHILK 1i7qB 34 :QIGAEVIIE T0326 94 :AVKDRKFDGFIITGAPV 1i7qB 43 :RLQHMEQPVLMLSPGPG T0326 114 :PFEEVDY 1i7qB 61 :TPSEAGC T0326 124 :LTEIMEWSRH 1i7qB 68 :MPELLQRLRG T0326 135 :VYSTMFICWAAQAGLY 1i7qB 78 :QLPIIGICLGHQAIVE T0326 152 :FYGIPKYELPQKLSGVYKHRVAKDSVLFRGHDDFFWAPHSR 1i7qB 94 :AYGGQVGQAGEILHGKASAIAHDGEGMFAGMANPLPVARYH T0326 193 :YTEVK 1i7qB 138 :GSNIP T0326 205 :PELEILAESDEA 1i7qB 143 :ADLTVNARFGEM T0326 218 :VYVVANKSERQIFVTGHPEYDRY 1i7qB 156 :VMAVRDDRRRVCGFQFHPESILT T0326 278 :SHAHLFFSNWLNY 1i7qB 179 :THGARLLEQTLAW Number of specific fragments extracted= 12 number of extra gaps= 1 total=1040 Number of alignments=72 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1l9xA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0326 read from 1l9xA/merged-good-all-a2m # 1l9xA read from 1l9xA/merged-good-all-a2m # found chain 1l9xA in training set Warning: unaligning (T0326)R34 because first residue in template chain is (1l9xA)A7 T0326 35 :PLEILILNLMPDKIKTEIQLLRLLGN 1l9xA 8 :KKPIIGILMQKCRNKVMKNYGRYYIA T0326 69 :LLYTETHKPKHTPIEHI 1l9xA 34 :ASYVKYLESAGARVVPV T0326 87 :KFYTTFSAVKDR 1l9xA 51 :RLDLTEKDYEIL T0326 99 :KFDGFIITGAPVE 1l9xA 65 :SINGILFPGGSVD T0326 115 :FEEVDYWEE 1l9xA 78 :LRRSDYAKV T0326 124 :LTEIMEWSRHNV 1l9xA 90 :FYNLSIQSFDDG T0326 136 :YSTMFICWAAQAGLYYFYG 1l9xA 104 :FPVWGTCLGFEELSLLISG T0326 156 :PKYELPQKL 1l9xA 123 :ECLLTATDT T0326 165 :SGVYKHRVAKD 1l9xA 133 :DVAMPLNFTGG T0326 176 :SVLFRGHDD 1l9xA 147 :SRMFQNFPT T0326 185 :FFWA 1l9xA 165 :PLTA T0326 191 :SRYTEVK 1l9xA 169 :NFHKWSL T0326 200 :DID 1l9xA 176 :SVK T0326 204 :VPE 1l9xA 186 :LKK T0326 207 :LEILAES 1l9xA 190 :FNVLTTN T0326 214 :DEA 1l9xA 199 :GKI T0326 217 :GVYVVANKSERQIFVTGHPEYDR 1l9xA 203 :FISTMEGYKYPVYGVQWHPEKAP T0326 262 :YFPNDDPTKTPILTWWSHAHLFFSNWLNYCIYQKTPYR 1l9xA 226 :YEWKNLDGISHAPNAVKTAFYLAEFFVNEARKNNHHFK Number of specific fragments extracted= 18 number of extra gaps= 0 total=1058 Number of alignments=73 # 1l9xA read from 1l9xA/merged-good-all-a2m # found chain 1l9xA in training set Warning: unaligning (T0326)I33 because first residue in template chain is (1l9xA)A7 T0326 34 :RPLEILILNLMPDK 1l9xA 8 :KKPIIGILMQKCRN T0326 48 :IKTEIQLLRLLG 1l9xA 33 :AASYVKYLESAG T0326 65 :VNVTLLYTE 1l9xA 45 :ARVVPVRLD T0326 90 :TTFSAVK 1l9xA 54 :LTEKDYE T0326 100 :FDGFIITGAPVE 1l9xA 66 :INGILFPGGSVD T0326 115 :FEEVDYWEE 1l9xA 78 :LRRSDYAKV T0326 124 :LTEIMEWSRHNV 1l9xA 90 :FYNLSIQSFDDG T0326 136 :YSTMFICWAAQAGLYYFYGIPKYELPQKLSGVYKHRVAKD 1l9xA 104 :FPVWGTCLGFEELSLLISGECLLTATDTVDVAMPLNFTGG T0326 176 :SVLFRGHD 1l9xA 147 :SRMFQNFP T0326 184 :DFFWA 1l9xA 164 :EPLTA T0326 192 :R 1l9xA 171 :H T0326 194 :TEVKKEDIDKVP 1l9xA 173 :WSLSVKNFTMNE T0326 207 :LEILAES 1l9xA 190 :FNVLTTN T0326 214 :DEAG 1l9xA 199 :GKIE T0326 218 :VYVVANKSERQIFVTGHPEYDR 1l9xA 204 :ISTMEGYKYPVYGVQWHPEKAP T0326 262 :YFPNDDPTKTPILTWWSHAHLFFSNWLNYCIYQKTPYR 1l9xA 226 :YEWKNLDGISHAPNAVKTAFYLAEFFVNEARKNNHHFK Number of specific fragments extracted= 16 number of extra gaps= 0 total=1074 Number of alignments=74 # 1l9xA read from 1l9xA/merged-good-all-a2m # found chain 1l9xA in training set Warning: unaligning (T0326)I33 because first residue in template chain is (1l9xA)A7 T0326 34 :RPLEILILNLMPDKIKTE 1l9xA 8 :KKPIIGILMQKCRNKVMK T0326 52 :IQLLRLLGNTP 1l9xA 34 :ASYVKYLESAG T0326 65 :VNVTLLYTE 1l9xA 45 :ARVVPVRLD T0326 80 :TPIEHILKFY 1l9xA 54 :LTEKDYEILF T0326 98 :RKFDGFIITGAPV 1l9xA 64 :KSINGILFPGGSV T0326 114 :PFEEVDYWEELTEIMEWSRH 1l9xA 77 :DLRRSDYAKVAKIFYNLSIQ T0326 134 :NVYSTMFICWAAQAGLYYFYGIPKYELPQKLSGVYKHRVAKD 1l9xA 102 :DYFPVWGTCLGFEELSLLISGECLLTATDTVDVAMPLNFTGG T0326 176 :SVLFRGHD 1l9xA 147 :SRMFQNFP T0326 185 :FF 1l9xA 165 :PL T0326 196 :VKKEDIDKVPE 1l9xA 175 :LSVKNFTMNEK T0326 207 :LEILAESDEA 1l9xA 192 :VLTTNTDGKI T0326 217 :GVYVVANKSERQIFVTGHPEYDRY 1l9xA 203 :FISTMEGYKYPVYGVQWHPEKAPY T0326 263 :FPNDDPTKTPILTWWSHAHLFFSNWLNYC 1l9xA 227 :EWKNLDGISHAPNAVKTAFYLAEFFVNEA Number of specific fragments extracted= 13 number of extra gaps= 0 total=1087 Number of alignments=75 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1keeB/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0326/1keeB/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0326/1keeB/merged-good-all-a2m.gz for input Trying 1keeB/merged-good-all-a2m Error: Couldn't open file 1keeB/merged-good-all-a2m or 1keeB/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1c30B/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1c30B expands to /projects/compbio/data/pdb/1c30.pdb.gz 1c30B:# T0326 read from 1c30B/merged-good-all-a2m # 1c30B read from 1c30B/merged-good-all-a2m # adding 1c30B to template set # found chain 1c30B in template set T0326 10 :PAVKVLAKEGIFV 1c30B 117 :KLTRLLREKGAQN T0326 23 :MTEKRAIHQ 1c30B 138 :PDAALALEK T0326 32 :DIRPL 1c30B 152 :GLNGM T0326 37 :EILILNLM 1c30B 168 :YSWTQGSW T0326 45 :PDK 1c30B 177 :LTG T0326 48 :IKTEIQLLR 1c30B 183 :EAKKEDELP T0326 57 :LLGNTPLQ 1c30B 193 :HVVAYDFG T0326 67 :VTLLYTETHKPKHTPIEHI 1c30B 201 :AKRNILRMLVDRGCRLTIV T0326 87 :KFYTTFSAVKDRKFDGFIITGAPVEL 1c30B 220 :PAQTSAEDVLKMNPDGIFLSNGPGDP T0326 116 :E 1c30B 246 :A T0326 120 :YWEELTEIMEWSRHNVYSTMFICWAAQAGLYYF 1c30B 247 :PCDYAITAIQKFLETDIPVFGISLGHQLLALAS T0326 154 :GIPKYELPQKL 1c30B 280 :GAKTVKMKFGH T0326 165 :SGVYKHRVAKDS 1c30B 292 :GGNHPVKDVEKN T0326 186 :FWAPHSRYTEVK 1c30B 304 :VVMITAQNHGFA T0326 199 :EDIDKVPE 1c30B 316 :VDEATLPA T0326 207 :LEILAES 1c30B 325 :LRVTHKS T0326 214 :DEAGVYVVANKSERQIFVTGHPEYDRYTLR 1c30B 333 :FDGTLQGIHRTDKPAFSFQGHPEASPGPHD T0326 282 :LFFSNWLNYCIY 1c30B 365 :PLFDHFIELIEQ Number of specific fragments extracted= 18 number of extra gaps= 0 total=1105 Number of alignments=76 # 1c30B read from 1c30B/merged-good-all-a2m # found chain 1c30B in template set T0326 31 :QDIRPLEILILNLM 1c30B 187 :EDELPFHVVAYDFG T0326 51 :EIQLLRLL 1c30B 202 :KRNILRML T0326 59 :G 1c30B 213 :G T0326 65 :VNVTLLYTE 1c30B 214 :CRLTIVPAQ T0326 90 :TTFSAVKDRKFDGFIITGAPVELLP 1c30B 223 :TSAEDVLKMNPDGIFLSNGPGDPAP T0326 121 :WEELTEIMEWSRHNVYSTMFICWAAQAGLYYFYGIPKYELPQKLSGVYKHRVAKD 1c30B 248 :CDYAITAIQKFLETDIPVFGISLGHQLLALASGAKTVKMKFGHHGGNHPVKDVEK T0326 183 :DDFFWAPHSRYTEVKKE 1c30B 303 :NVVMITAQNHGFAVDEA T0326 203 :KVP 1c30B 320 :TLP T0326 206 :ELEILAES 1c30B 324 :NLRVTHKS T0326 214 :DEAGVYVVANKSERQIFVTGHPE 1c30B 333 :FDGTLQGIHRTDKPAFSFQGHPE T0326 237 :YDRYTLRDEYYRDIG 1c30B 365 :PLFDHFIELIEQYRK Number of specific fragments extracted= 11 number of extra gaps= 0 total=1116 Number of alignments=77 # 1c30B read from 1c30B/merged-good-all-a2m # found chain 1c30B in template set T0326 31 :QDIRPLEILILNLMP 1c30B 187 :EDELPFHVVAYDFGA T0326 52 :IQLLRLL 1c30B 203 :RNILRML T0326 63 :LQVNVTLLYTET 1c30B 212 :RGCRLTIVPAQT T0326 91 :TFSAVKDRKFDGFIITGAPVEL 1c30B 224 :SAEDVLKMNPDGIFLSNGPGDP T0326 119 :DYWEELTEIMEWSRHNVYSTMFICWAAQAGLY 1c30B 246 :APCDYAITAIQKFLETDIPVFGISLGHQLLAL T0326 152 :FYGIPKYELPQKLSGV 1c30B 278 :ASGAKTVKMKFGHHGG T0326 168 :YKHRVAKDS 1c30B 295 :HPVKDVEKN T0326 186 :FWAPHSRYTEVK 1c30B 311 :NHGFAVDEATLP T0326 205 :PELEILAESD 1c30B 323 :ANLRVTHKSL T0326 215 :EAGVYVVANKSERQIFVTGHPEYDR 1c30B 334 :DGTLQGIHRTDKPAFSFQGHPEASP T0326 240 :YTLRDEYYRDI 1c30B 364 :APLFDHFIELI Number of specific fragments extracted= 11 number of extra gaps= 0 total=1127 Number of alignments=78 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2gk3A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2gk3A expands to /projects/compbio/data/pdb/2gk3.pdb.gz 2gk3A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 1464, because occupancy 0.500 <= existing 0.500 in 2gk3A Skipped atom 1466, because occupancy 0.500 <= existing 0.500 in 2gk3A Skipped atom 1468, because occupancy 0.500 <= existing 0.500 in 2gk3A Skipped atom 1470, because occupancy 0.500 <= existing 0.500 in 2gk3A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0326 read from 2gk3A/merged-good-all-a2m # 2gk3A read from 2gk3A/merged-good-all-a2m # adding 2gk3A to template set # found chain 2gk3A in template set Warning: unaligning (T0326)L36 because first residue in template chain is (2gk3A)L8 Warning: unaligning (T0326)R239 because of BadResidue code BAD_PEPTIDE in next template residue (2gk3A)H227 Warning: unaligning (T0326)Y240 because of BadResidue code BAD_PEPTIDE at template residue (2gk3A)H227 T0326 37 :EILILNL 2gk3A 9 :KVLFIGE T0326 44 :MPDKIKTEIQL 2gk3A 25 :KGYDSFTSSKY T0326 56 :RL 2gk3A 36 :EE T0326 67 :VTLLYTETHKPKHTPIEHIL 2gk3A 38 :GATWLLECLRKGGVDIDYMP T0326 87 :KFYTTFSAVK 2gk3A 64 :AFPESIDELN T0326 99 :KFDGFIITGA 2gk3A 74 :RYDVIVISDI T0326 111 :E 2gk3A 84 :G T0326 115 :FEEVDYWEE 2gk3A 85 :SNTFLLQNE T0326 124 :LTEIMEWSRHNVYSTMFI 2gk3A 104 :ALESIKEYVKNGGGLLMI T0326 154 :GI 2gk3A 122 :GG T0326 156 :PKYELPQKLSG 2gk3A 154 :DRVEKPEGICA T0326 170 :HRVAKDSVLFRGHDDFFW 2gk3A 165 :EAVSPEHPVVNGFSDYPV T0326 193 :YTEVK 2gk3A 183 :FLGYN T0326 200 :DIDKVPELEILAESDEAGVYVV 2gk3A 188 :QAVARDDADVVLTINNDPLLVF T0326 222 :ANKSERQIFVTG 2gk3A 211 :EYQQGKTACFMS T0326 236 :EYD 2gk3A 223 :DCS T0326 241 :TLRDEYY 2gk3A 228 :WGTQQFM T0326 257 :PIPA 2gk3A 235 :SWPF T0326 280 :AHLFFSNWLNYC 2gk3A 239 :YTDLWVNTLQFI Number of specific fragments extracted= 19 number of extra gaps= 1 total=1146 Number of alignments=79 # 2gk3A read from 2gk3A/merged-good-all-a2m # found chain 2gk3A in template set Warning: unaligning (T0326)L36 because first residue in template chain is (2gk3A)L8 Warning: unaligning (T0326)P235 because of BadResidue code BAD_PEPTIDE in next template residue (2gk3A)H227 Warning: unaligning (T0326)E236 because of BadResidue code BAD_PEPTIDE at template residue (2gk3A)H227 T0326 37 :EILILNLM 2gk3A 9 :KVLFIGES T0326 45 :PDK 2gk3A 26 :GYD T0326 48 :IKTEIQLLRLLG 2gk3A 39 :ATWLLECLRKGG T0326 65 :VNVTLLY 2gk3A 51 :VDIDYMP T0326 83 :EHILKFYTTFSAVK 2gk3A 60 :TVQIAFPESIDELN T0326 99 :KFDGFIITGAP 2gk3A 74 :RYDVIVISDIG T0326 115 :FEEVDYWEE 2gk3A 85 :SNTFLLQNE T0326 124 :LTEIMEWSRHNVYSTMFICW 2gk3A 104 :ALESIKEYVKNGGGLLMIGG T0326 157 :KYELPQKLSGVYKHR 2gk3A 151 :DGDDRVEKPEGICAE T0326 172 :VAKDSVLFRGHDDFFWA 2gk3A 167 :VSPEHPVVNGFSDYPVF T0326 204 :VPELEILAESDEAGVYVVANKSERQIFVT 2gk3A 192 :RDDADVVLTINNDPLLVFGEYQQGKTACF T0326 233 :GH 2gk3A 224 :CS T0326 237 :YDRYTLR 2gk3A 228 :WGTQQFM T0326 255 :KVP 2gk3A 235 :SWP T0326 279 :HAHLFFSNWLNYC 2gk3A 238 :FYTDLWVNTLQFI Number of specific fragments extracted= 15 number of extra gaps= 1 total=1161 Number of alignments=80 # 2gk3A read from 2gk3A/merged-good-all-a2m # found chain 2gk3A in template set Warning: unaligning (T0326)V118 because of BadResidue code BAD_PEPTIDE in next template residue (2gk3A)N135 Warning: unaligning (T0326)D119 because of BadResidue code BAD_PEPTIDE at template residue (2gk3A)N135 Warning: unaligning (T0326)R239 because of BadResidue code BAD_PEPTIDE in next template residue (2gk3A)H227 Warning: unaligning (T0326)Y240 because of BadResidue code BAD_PEPTIDE at template residue (2gk3A)H227 T0326 12 :VKVLAKEGIFV 2gk3A 43 :LECLRKGGVDI T0326 23 :MTEKRAIHQD 2gk3A 67 :ESIDELNRYD T0326 37 :EILILNLMPDKI 2gk3A 77 :VIVISDIGSNTF T0326 49 :KTEI 2gk3A 91 :QNET T0326 72 :TETHKPKHTPIEHILKF 2gk3A 95 :FYQLKIKPNALESIKEY T0326 95 :VKDR 2gk3A 112 :VKNG T0326 101 :DGFIITGAPVELLPFEE 2gk3A 116 :GGLLMIGGYLSFMGIEA T0326 120 :YWE 2gk3A 136 :YKN T0326 135 :VYSTM 2gk3A 144 :VLPVI T0326 153 :YGIPKYELPQK 2gk3A 151 :DGDDRVEKPEG T0326 168 :YKHRVAKD 2gk3A 162 :ICAEAVSP T0326 176 :SVLFRGHDDFFWAP 2gk3A 171 :HPVVNGFSDYPVFL T0326 204 :VPELEILAESDEAGVYVVANKSERQIFVTG 2gk3A 192 :RDDADVVLTINNDPLLVFGEYQQGKTACFM T0326 235 :PEYD 2gk3A 222 :SDCS T0326 241 :TLRDEYYR 2gk3A 228 :WGTQQFMS T0326 277 :WSHAHLFFSNWLNYC 2gk3A 236 :WPFYTDLWVNTLQFI Number of specific fragments extracted= 16 number of extra gaps= 2 total=1177 Number of alignments=81 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2ab0A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2ab0A expands to /projects/compbio/data/pdb/2ab0.pdb.gz 2ab0A:Skipped atom 13, because occupancy 0.300 <= existing 0.700 in 2ab0A Skipped atom 15, because occupancy 0.300 <= existing 0.700 in 2ab0A Skipped atom 17, because occupancy 0.300 <= existing 0.700 in 2ab0A Skipped atom 19, because occupancy 0.300 <= existing 0.700 in 2ab0A Skipped atom 21, because occupancy 0.300 <= existing 0.700 in 2ab0A Skipped atom 23, because occupancy 0.300 <= existing 0.700 in 2ab0A Skipped atom 406, because occupancy 0.400 <= existing 0.600 in 2ab0A Skipped atom 408, because occupancy 0.400 <= existing 0.600 in 2ab0A Skipped atom 410, because occupancy 0.400 <= existing 0.600 in 2ab0A Skipped atom 412, because occupancy 0.400 <= existing 0.600 in 2ab0A Skipped atom 414, because occupancy 0.400 <= existing 0.600 in 2ab0A Skipped atom 416, because occupancy 0.400 <= existing 0.600 in 2ab0A Skipped atom 418, because occupancy 0.400 <= existing 0.600 in 2ab0A Skipped atom 420, because occupancy 0.380 <= existing 0.620 in 2ab0A Skipped atom 422, because occupancy 0.380 <= existing 0.620 in 2ab0A Skipped atom 424, because occupancy 0.380 <= existing 0.620 in 2ab0A Skipped atom 426, because occupancy 0.380 <= existing 0.620 in 2ab0A Skipped atom 428, because occupancy 0.380 <= existing 0.620 in 2ab0A Skipped atom 430, because occupancy 0.380 <= existing 0.620 in 2ab0A Skipped atom 432, because occupancy 0.380 <= existing 0.620 in 2ab0A Skipped atom 434, because occupancy 0.380 <= existing 0.620 in 2ab0A Skipped atom 436, because occupancy 0.380 <= existing 0.620 in 2ab0A Skipped atom 450, because occupancy 0.500 <= existing 0.500 in 2ab0A Skipped atom 452, because occupancy 0.500 <= existing 0.500 in 2ab0A Skipped atom 454, because occupancy 0.500 <= existing 0.500 in 2ab0A Skipped atom 456, because occupancy 0.500 <= existing 0.500 in 2ab0A Skipped atom 458, because occupancy 0.500 <= existing 0.500 in 2ab0A Skipped atom 460, because occupancy 0.500 <= existing 0.500 in 2ab0A Skipped atom 462, because occupancy 0.500 <= existing 0.500 in 2ab0A Skipped atom 464, because occupancy 0.500 <= existing 0.500 in 2ab0A Skipped atom 488, because occupancy 0.340 <= existing 0.660 in 2ab0A Skipped atom 490, because occupancy 0.340 <= existing 0.660 in 2ab0A Skipped atom 492, because occupancy 0.340 <= existing 0.660 in 2ab0A Skipped atom 494, because occupancy 0.340 <= existing 0.660 in 2ab0A Skipped atom 496, because occupancy 0.340 <= existing 0.660 in 2ab0A Skipped atom 498, because occupancy 0.340 <= existing 0.660 in 2ab0A Skipped atom 500, because occupancy 0.340 <= existing 0.660 in 2ab0A Skipped atom 502, because occupancy 0.340 <= existing 0.660 in 2ab0A Skipped atom 504, because occupancy 0.340 <= existing 0.660 in 2ab0A Skipped atom 506, because occupancy 0.340 <= existing 0.660 in 2ab0A Skipped atom 508, because occupancy 0.340 <= existing 0.660 in 2ab0A Skipped atom 510, because occupancy 0.340 <= existing 0.660 in 2ab0A Skipped atom 617, because occupancy 0.250 <= existing 0.750 in 2ab0A Skipped atom 619, because occupancy 0.250 <= existing 0.750 in 2ab0A Skipped atom 621, because occupancy 0.250 <= existing 0.750 in 2ab0A Skipped atom 623, because occupancy 0.250 <= existing 0.750 in 2ab0A Skipped atom 625, because occupancy 0.250 <= existing 0.750 in 2ab0A Skipped atom 627, because occupancy 0.250 <= existing 0.750 in 2ab0A Skipped atom 1110, because occupancy 0.420 <= existing 0.580 in 2ab0A Skipped atom 1112, because occupancy 0.420 <= existing 0.580 in 2ab0A Skipped atom 1114, because occupancy 0.420 <= existing 0.580 in 2ab0A Skipped atom 1116, because occupancy 0.420 <= existing 0.580 in 2ab0A Skipped atom 1118, because occupancy 0.420 <= existing 0.580 in 2ab0A Skipped atom 1120, because occupancy 0.420 <= existing 0.580 in 2ab0A Skipped atom 1122, because occupancy 0.420 <= existing 0.580 in 2ab0A Skipped atom 1124, because occupancy 0.420 <= existing 0.580 in 2ab0A Skipped atom 1126, because occupancy 0.420 <= existing 0.580 in 2ab0A Skipped atom 1139, because occupancy 0.370 <= existing 0.630 in 2ab0A Skipped atom 1141, because occupancy 0.370 <= existing 0.630 in 2ab0A Skipped atom 1143, because occupancy 0.370 <= existing 0.630 in 2ab0A Skipped atom 1145, because occupancy 0.370 <= existing 0.630 in 2ab0A Skipped atom 1147, because occupancy 0.370 <= existing 0.630 in 2ab0A Skipped atom 1149, because occupancy 0.370 <= existing 0.630 in 2ab0A Skipped atom 1151, because occupancy 0.370 <= existing 0.630 in 2ab0A Skipped atom 1367, because occupancy 0.500 <= existing 0.500 in 2ab0A Skipped atom 1369, because occupancy 0.500 <= existing 0.500 in 2ab0A Skipped atom 1371, because occupancy 0.500 <= existing 0.500 in 2ab0A Skipped atom 1373, because occupancy 0.500 <= existing 0.500 in 2ab0A Skipped atom 1375, because occupancy 0.500 <= existing 0.500 in 2ab0A Skipped atom 1377, because occupancy 0.500 <= existing 0.500 in 2ab0A Skipped atom 1379, because occupancy 0.500 <= existing 0.500 in 2ab0A Skipped atom 1385, because occupancy 0.180 <= existing 0.820 in 2ab0A Skipped atom 1387, because occupancy 0.180 <= existing 0.820 in 2ab0A Skipped atom 1389, because occupancy 0.180 <= existing 0.820 in 2ab0A Skipped atom 1391, because occupancy 0.180 <= existing 0.820 in 2ab0A Skipped atom 1393, because occupancy 0.180 <= existing 0.820 in 2ab0A Skipped atom 1395, because occupancy 0.180 <= existing 0.820 in 2ab0A Skipped atom 1397, because occupancy 0.180 <= existing 0.820 in 2ab0A Skipped atom 1399, because occupancy 0.180 <= existing 0.820 in 2ab0A Skipped atom 1401, because occupancy 0.180 <= existing 0.820 in 2ab0A Skipped atom 1403, because occupancy 0.180 <= existing 0.820 in 2ab0A Skipped atom 1405, because occupancy 0.180 <= existing 0.820 in 2ab0A # T0326 read from 2ab0A/merged-good-all-a2m # 2ab0A read from 2ab0A/merged-good-all-a2m # adding 2ab0A to template set # found chain 2ab0A in template set Warning: unaligning (T0326)R98 because of BadResidue code BAD_PEPTIDE in next template residue (2ab0A)E66 Warning: unaligning (T0326)K99 because of BadResidue code BAD_PEPTIDE at template residue (2ab0A)E66 Warning: unaligning (T0326)F100 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ab0A)Y67 Warning: unaligning (T0326)G181 because of BadResidue code BAD_PEPTIDE in next template residue (2ab0A)G122 Warning: unaligning (T0326)H182 because of BadResidue code BAD_PEPTIDE at template residue (2ab0A)G122 Warning: unaligning (T0326)V231 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2ab0A)Q156 Warning: unaligning (T0326)T232 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2ab0A)Q156 Warning: unaligning (T0326)I258 because of BadResidue code BAD_PEPTIDE in next template residue (2ab0A)G190 Warning: unaligning (T0326)P259 because of BadResidue code BAD_PEPTIDE at template residue (2ab0A)G190 Warning: unaligning (T0326)P264 because of BadResidue code BAD_PEPTIDE in next template residue (2ab0A)E196 Warning: unaligning (T0326)N265 because of BadResidue code BAD_PEPTIDE at template residue (2ab0A)E196 T0326 56 :RLLGNTPLQVNVTLL 2ab0A 4 :SALVCLAPGSEETEA T0326 71 :YTETHKPKHTPIEHILKF 2ab0A 21 :TIDLLVRGGIKVTTASVA T0326 89 :YTTFSAVKD 2ab0A 56 :DAPLVEVAD T0326 101 :DGFIITGA 2ab0A 68 :DVIVLPGG T0326 116 :EEVDYWEE 2ab0A 77 :KGAECFRD T0326 124 :LTEIMEWSRHNVYSTMFICW 2ab0A 88 :LVETVKQFHRSGRIVAAICA T0326 147 :AGLYYFY 2ab0A 108 :APATVLV T0326 175 :DSVLFR 2ab0A 115 :PHDIFP T0326 185 :FFW 2ab0A 123 :NMT T0326 195 :EVK 2ab0A 126 :GFP T0326 199 :EDIDKVPE 2ab0A 129 :TLKDKIPA T0326 216 :A 2ab0A 139 :W T0326 220 :VVANKSERQIF 2ab0A 144 :VVWDARVKLLT T0326 233 :G 2ab0A 157 :G T0326 239 :RYT 2ab0A 158 :PGT T0326 242 :LRDEYYRDIGRNLKVP 2ab0A 173 :VGREKAHEVASQLVMA T0326 260 :ANYF 2ab0A 191 :IYNY Number of specific fragments extracted= 17 number of extra gaps= 5 total=1194 Number of alignments=82 # 2ab0A read from 2ab0A/merged-good-all-a2m # found chain 2ab0A in template set Warning: unaligning (T0326)R98 because of BadResidue code BAD_PEPTIDE in next template residue (2ab0A)E66 Warning: unaligning (T0326)K99 because of BadResidue code BAD_PEPTIDE at template residue (2ab0A)E66 Warning: unaligning (T0326)F100 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ab0A)Y67 Warning: unaligning (T0326)D183 because of BadResidue code BAD_PEPTIDE in next template residue (2ab0A)G122 Warning: unaligning (T0326)D184 because of BadResidue code BAD_PEPTIDE at template residue (2ab0A)G122 Warning: unaligning (T0326)V231 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2ab0A)Q156 Warning: unaligning (T0326)T232 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2ab0A)Q156 Warning: unaligning (T0326)I258 because of BadResidue code BAD_PEPTIDE in next template residue (2ab0A)G190 Warning: unaligning (T0326)P259 because of BadResidue code BAD_PEPTIDE at template residue (2ab0A)G190 Warning: unaligning (T0326)P264 because of BadResidue code BAD_PEPTIDE in next template residue (2ab0A)E196 Warning: unaligning (T0326)N265 because of BadResidue code BAD_PEPTIDE at template residue (2ab0A)E196 T0326 37 :E 2ab0A 4 :S T0326 39 :LILNLMPDKIKTE 2ab0A 5 :ALVCLAPGSEETE T0326 52 :IQLLRLLG 2ab0A 22 :IDLLVRGG T0326 65 :VNVTLLYTETH 2ab0A 30 :IKVTTASVASD T0326 78 :KHTP 2ab0A 41 :GNLA T0326 82 :IEHILKFYTTFSAVKD 2ab0A 49 :RGVKLLADAPLVEVAD T0326 101 :DGFIITGA 2ab0A 68 :DVIVLPGG T0326 115 :FEEVDYWEELTEIMEWSRHNVYSTMFICWAAQAGLYYFY 2ab0A 79 :AECFRDSTLLVETVKQFHRSGRIVAAICAAPATVLVPHD T0326 181 :GH 2ab0A 118 :IF T0326 185 :FFWA 2ab0A 123 :NMTG T0326 194 :TEVKKEDIDK 2ab0A 127 :FPTLKDKIPA T0326 220 :VVANKSERQIF 2ab0A 144 :VVWDARVKLLT T0326 233 :GHPEYDRYTLR 2ab0A 157 :GPGTAIDFGLK T0326 244 :DEYYRDIGRNLKVP 2ab0A 175 :REKAHEVASQLVMA T0326 260 :ANYF 2ab0A 191 :IYNY Number of specific fragments extracted= 15 number of extra gaps= 5 total=1209 Number of alignments=83 # 2ab0A read from 2ab0A/merged-good-all-a2m # found chain 2ab0A in template set Warning: unaligning (T0326)R98 because of BadResidue code BAD_PEPTIDE in next template residue (2ab0A)E66 Warning: unaligning (T0326)K99 because of BadResidue code BAD_PEPTIDE at template residue (2ab0A)E66 Warning: unaligning (T0326)F100 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ab0A)Y67 Warning: unaligning (T0326)S176 because of BadResidue code BAD_PEPTIDE in next template residue (2ab0A)G122 Warning: unaligning (T0326)V177 because of BadResidue code BAD_PEPTIDE at template residue (2ab0A)G122 Warning: unaligning (T0326)V231 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2ab0A)Q156 Warning: unaligning (T0326)T232 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2ab0A)Q156 Warning: unaligning (T0326)I258 because of BadResidue code BAD_PEPTIDE in next template residue (2ab0A)G190 Warning: unaligning (T0326)P259 because of BadResidue code BAD_PEPTIDE at template residue (2ab0A)G190 Warning: unaligning (T0326)P264 because of BadResidue code BAD_PEPTIDE in next template residue (2ab0A)E196 Warning: unaligning (T0326)N265 because of BadResidue code BAD_PEPTIDE at template residue (2ab0A)E196 T0326 39 :LILNLMPDKIKTE 2ab0A 5 :ALVCLAPGSEETE T0326 52 :IQLLRLLGNTPLQVNVTLLYTETHKP 2ab0A 19 :VTTIDLLVRGGIKVTTASVASDGNLA T0326 78 :KHTP 2ab0A 48 :SRGV T0326 88 :FYTTFSAVKD 2ab0A 55 :ADAPLVEVAD T0326 101 :DGFIITGA 2ab0A 68 :DVIVLPGG T0326 122 :EELTEIMEWSRHNVYSTMFICWAAQAG 2ab0A 86 :TLLVETVKQFHRSGRIVAAICAAPATV T0326 150 :YYFYGI 2ab0A 113 :LVPHDI T0326 174 :KD 2ab0A 119 :FP T0326 178 :L 2ab0A 123 :N T0326 186 :FWAPHSRYTEVKKEDI 2ab0A 124 :MTGFPTLKDKIPAEQW T0326 212 :ESDE 2ab0A 140 :LDKR T0326 220 :VVANKSERQIF 2ab0A 144 :VVWDARVKLLT T0326 233 :G 2ab0A 157 :G T0326 239 :RYTLR 2ab0A 158 :PGTAI T0326 244 :DEYYRDIGRNLKVP 2ab0A 175 :REKAHEVASQLVMA T0326 260 :ANYF 2ab0A 191 :IYNY Number of specific fragments extracted= 16 number of extra gaps= 5 total=1225 Number of alignments=84 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1m6vB/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0326/1m6vB/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0326/1m6vB/merged-good-all-a2m.gz for input Trying 1m6vB/merged-good-all-a2m Error: Couldn't open file 1m6vB/merged-good-all-a2m or 1m6vB/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1gpmA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1gpmA expands to /projects/compbio/data/pdb/1gpm.pdb.gz 1gpmA:# T0326 read from 1gpmA/merged-good-all-a2m # 1gpmA read from 1gpmA/merged-good-all-a2m # adding 1gpmA to template set # found chain 1gpmA in template set Warning: unaligning (T0326)E51 because first residue in template chain is (1gpmA)E3 T0326 52 :IQLLRLLGNTPLQVNVTLLYTETHKPKHTPIEHI 1gpmA 4 :NIHKHRILILDFGSQYTQLVARRVRELGVYCELW T0326 87 :KFYTTFSAVKDRKFDGFIITGAPVELLP 1gpmA 38 :AWDVTEAQIRDFNPSGIILSGGPESTTE T0326 115 :FEEV 1gpmA 72 :PQYV T0326 121 :W 1gpmA 76 :F T0326 133 :HNVYSTMFICWAAQAGLYYF 1gpmA 77 :EAGVPVFGVCYGMQTMAMQL T0326 154 :GIPKYELPQKLSGVYKHRVAKDSVLFRGH 1gpmA 97 :GGHVEASNEREFGYAQVEVVNDSALVRGI T0326 183 :DDFFWA 1gpmA 132 :DGKPLL T0326 191 :SRYTEVK 1gpmA 138 :DVWMSHG T0326 199 :EDIDKVPE 1gpmA 145 :DKVTAIPS T0326 207 :LEILAESDEAGVYVVANKSERQIFVTGHPEYDRYTLRDEYYRDIGRNLKVP 1gpmA 154 :FITVASTESCPFAIMANEEKRFYGVQFHPEVTHTRQGMRMLERFVRDICQC T0326 259 :PANYF 1gpmA 205 :EALWT T0326 269 :TKTPILTWWSHAHLFFSNWLNYCIYQ 1gpmA 300 :GENDPEAKRKIIGRVFVEVFDEEALK Number of specific fragments extracted= 12 number of extra gaps= 0 total=1237 Number of alignments=85 # 1gpmA read from 1gpmA/merged-good-all-a2m # found chain 1gpmA in template set Warning: unaligning (T0326)Q31 because first residue in template chain is (1gpmA)E3 T0326 32 :DIRPLEILILNLMPDKIKTEIQLLRLLG 1gpmA 4 :NIHKHRILILDFGSQYTQLVARRVRELG T0326 65 :VNVTLL 1gpmA 32 :VYCELW T0326 87 :KFYTTFSAVKDRKFDGFIITGAPVELLP 1gpmA 38 :AWDVTEAQIRDFNPSGIILSGGPESTTE T0326 115 :FEEV 1gpmA 72 :PQYV T0326 133 :HNVYSTMFICWAAQAGLYYFYGIPK 1gpmA 77 :EAGVPVFGVCYGMQTMAMQLGGHVE T0326 159 :ELPQKLSGVYKHRVAKDSVLFRGH 1gpmA 102 :ASNEREFGYAQVEVVNDSALVRGI T0326 183 :DD 1gpmA 132 :DG T0326 185 :FFWA 1gpmA 136 :LLDV T0326 194 :TEVKKEDIDKVP 1gpmA 140 :WMSHGDKVTAIP T0326 206 :ELEILAESDEAGVYVVANKSERQIFVTGHPEYDR 1gpmA 153 :DFITVASTESCPFAIMANEEKRFYGVQFHPEVTH T0326 240 :YTLRDEYYRDIGRNLKVPIPA 1gpmA 188 :RQGMRMLERFVRDICQCEALW T0326 275 :TWWSHAHLFFSNWLNY 1gpmA 209 :TPAKIIDDAVARIREQ Number of specific fragments extracted= 12 number of extra gaps= 0 total=1249 Number of alignments=86 # 1gpmA read from 1gpmA/merged-good-all-a2m # found chain 1gpmA in template set T0326 35 :PLEILILNLMPDKI 1gpmA 7 :KHRILILDFGSQYT T0326 52 :IQLLRLLGNTPLQVNVTLLYT 1gpmA 21 :QLVARRVRELGVYCELWAWDV T0326 91 :TFSAVKDRKFDGFIITGAPVELLPFEEVDYWEE 1gpmA 42 :TEAQIRDFNPSGIILSGGPESTTEENSPRAPQY T0326 131 :SRHNVYSTMFICWAAQAGLYYFYG 1gpmA 75 :VFEAGVPVFGVCYGMQTMAMQLGG T0326 156 :PKYELPQKLSGVYKHRVAKDSVLFRGHDDFF 1gpmA 99 :HVEASNEREFGYAQVEVVNDSALVRGIEDAL T0326 187 :WAPHSRYTEVK 1gpmA 138 :DVWMSHGDKVT T0326 204 :VPELEILAESDEAGVYVVANKSERQIFVTGHPEYDRY 1gpmA 151 :PSDFITVASTESCPFAIMANEEKRFYGVQFHPEVTHT T0326 241 :TLRDEYYRDIGRNLKVPIP 1gpmA 189 :QGMRMLERFVRDICQCEAL Number of specific fragments extracted= 8 number of extra gaps= 0 total=1257 Number of alignments=87 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2fexA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2fexA expands to /projects/compbio/data/pdb/2fex.pdb.gz 2fexA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 18, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 22, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 24, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 26, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 28, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 30, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 32, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 34, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 76, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 80, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 82, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 84, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 86, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 88, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 166, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 170, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 172, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 174, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 176, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 247, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 251, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 253, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 255, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 257, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 259, because occupancy 0.500 <= existing 0.500 in 2fexA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 440, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 444, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 446, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 448, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 450, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 481, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 485, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 487, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 489, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 492, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 496, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 498, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 500, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 502, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 601, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 605, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 607, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 609, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 611, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 613, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 726, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 730, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 732, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 734, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 736, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 738, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 740, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 742, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 855, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 859, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 861, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 863, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 882, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 886, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 888, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 890, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 892, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 954, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 958, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 960, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 1277, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 1281, because occupancy 0.500 <= existing 0.500 in 2fexA Skipped atom 1283, because occupancy 0.500 <= existing 0.500 in 2fexA # T0326 read from 2fexA/merged-good-all-a2m # 2fexA read from 2fexA/merged-good-all-a2m # adding 2fexA to template set # found chain 2fexA in template set T0326 56 :RLLGNTPLQ 2fexA 2 :TRIAIALAQ T0326 65 :VNVTLLYTETHKPK 2fexA 14 :DWEPALLAAAARSY T0326 79 :HTPIEHILKF 2fexA 29 :GVEIVHATPD T0326 89 :YTTFSAVKDRKFDGFIITGA 2fexA 53 :DTSYDALDPVDIDALVIPGG T0326 110 :VELLP 2fexA 78 :GTAAD T0326 121 :W 2fexA 83 :L T0326 125 :TEIMEWSRHNVYSTMFICWAAQAGLYY 2fexA 84 :GGLVKRFRDRDRLVAGICAAASALGGT T0326 154 :GI 2fexA 111 :GV T0326 156 :PKYELPQKLSGV 2fexA 130 :PAYRGEAHYRDQ Number of specific fragments extracted= 9 number of extra gaps= 0 total=1266 Number of alignments=88 # 2fexA read from 2fexA/merged-good-all-a2m # found chain 2fexA in template set Warning: unaligning (T0326)Y153 because of BadResidue code BAD_PEPTIDE in next template residue (2fexA)D115 Warning: unaligning (T0326)G154 because of BadResidue code BAD_PEPTIDE at template residue (2fexA)D115 T0326 36 :LEILILNLMP 2fexA 2 :TRIAIALAQD T0326 46 :DKIKTEIQLLRLL 2fexA 15 :WEPALLAAAARSY T0326 63 :LQVNVTLLYTETHKP 2fexA 28 :LGVEIVHATPDGMPV T0326 87 :KFYTTFSAVKDRKFDGFIITGA 2fexA 51 :TPDTSYDALDPVDIDALVIPGG T0326 121 :WEE 2fexA 75 :WEK T0326 124 :LTEIMEWSRHNVYSTMFICWAAQAGLYY 2fexA 83 :LGGLVKRFRDRDRLVAGICAAASALGGT T0326 152 :F 2fexA 113 :L T0326 155 :IPKYELPQ 2fexA 116 :VAHTGNAL T0326 177 :VLFRGHDD 2fexA 124 :ASHKAYPA T0326 186 :FWA 2fexA 132 :YRG T0326 198 :KEDIDKVPEL 2fexA 135 :EAHYRDQPRA T0326 222 :ANKSERQIF 2fexA 145 :VSDGGVVTA T0326 237 :YDRYTLRDEYYRDIG 2fexA 156 :SAPVSFAVEILKSLG Number of specific fragments extracted= 13 number of extra gaps= 1 total=1279 Number of alignments=89 # 2fexA read from 2fexA/merged-good-all-a2m # found chain 2fexA in template set Warning: unaligning (T0326)R180 because of BadResidue code BAD_PEPTIDE in next template residue (2fexA)D115 Warning: unaligning (T0326)G181 because of BadResidue code BAD_PEPTIDE at template residue (2fexA)D115 T0326 37 :EILILNL 2fexA 3 :RIAIALA T0326 44 :MPDK 2fexA 13 :ADWE T0326 51 :EIQLLRLL 2fexA 17 :PALLAAAA T0326 63 :LQVNVTLLYTETHK 2fexA 28 :LGVEIVHATPDGMP T0326 78 :KHTPIEHIL 2fexA 52 :PDTSYDALD T0326 97 :DRKFDGFIITGA 2fexA 61 :PVDIDALVIPGG T0326 119 :DYWEE 2fexA 73 :LSWEK T0326 124 :LTEIMEWSRHNVYSTMFICWAAQAGLY 2fexA 83 :LGGLVKRFRDRDRLVAGICAAASALGG T0326 153 :YG 2fexA 110 :TG T0326 178 :LF 2fexA 112 :VL T0326 182 :HDD 2fexA 116 :VAH T0326 194 :TEVKKEDIDKVPELE 2fexA 119 :TGNALASHKAYPAYR T0326 209 :ILAESDEAGV 2fexA 137 :HYRDQPRAVS T0326 223 :NKS 2fexA 147 :DGG T0326 228 :QIFVTG 2fexA 150 :VVTAAG T0326 238 :DRYTLRDEYYRDIGR 2fexA 157 :APVSFAVEILKSLGL Number of specific fragments extracted= 16 number of extra gaps= 1 total=1295 Number of alignments=90 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1cs0B/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1cs0B expands to /projects/compbio/data/pdb/1cs0.pdb.gz 1cs0B:# T0326 read from 1cs0B/merged-good-all-a2m # 1cs0B read from 1cs0B/merged-good-all-a2m # adding 1cs0B to template set # found chain 1cs0B in template set Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1cs0B)L270 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1cs0B)L270 T0326 10 :PAVKVLAKEGIFV 1cs0B 117 :KLTRLLREKGAQN T0326 23 :MTEKRAIHQ 1cs0B 138 :PDAALALEK T0326 32 :DIRPL 1cs0B 152 :GLNGM T0326 37 :EILILNLMPD 1cs0B 168 :YSWTQGSWTL T0326 47 :K 1cs0B 179 :G T0326 48 :IKTEIQLLR 1cs0B 183 :EAKKEDELP T0326 57 :LLGNTPLQ 1cs0B 193 :HVVAYDFG T0326 67 :VTLLYTETHKPKHTPIEHI 1cs0B 201 :AKRNILRMLVDRGCRLTIV T0326 87 :KFYTTFSAVKDRKFDGFIITGAPVEL 1cs0B 220 :PAQTSAEDVLKMNPDGIFLSNGPGDP T0326 116 :E 1cs0B 246 :A T0326 120 :YWEELTEIMEWSRHNVYSTMF 1cs0B 247 :PCDYAITAIQKFLETDIPVFG T0326 144 :AAQAGLYYF 1cs0B 271 :GHQLLALAS T0326 154 :GIPKYELPQKL 1cs0B 280 :GAKTVKMKFGH T0326 165 :SGVYKHRVAKDS 1cs0B 292 :GGNHPVKDVEKN T0326 186 :FWAPHSRYTEVK 1cs0B 304 :VVMITAQNHGFA T0326 199 :EDIDKVPE 1cs0B 316 :VDEATLPA T0326 207 :LEILAES 1cs0B 325 :LRVTHKS T0326 214 :DEAGVYVVANKSERQIFVTGHPEYDRYTLR 1cs0B 333 :FDGTLQGIHRTDKPAFSFQGHPEASPGPHD T0326 283 :FFSNWLNYCIYQ 1cs0B 366 :LFDHFIELIEQY Number of specific fragments extracted= 19 number of extra gaps= 0 total=1314 Number of alignments=91 # 1cs0B read from 1cs0B/merged-good-all-a2m # found chain 1cs0B in template set Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1cs0B)L270 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1cs0B)L270 T0326 31 :QDIRPLEILILNLM 1cs0B 187 :EDELPFHVVAYDFG T0326 51 :EIQLLRLL 1cs0B 202 :KRNILRML T0326 59 :G 1cs0B 213 :G T0326 65 :VNVTLLYTE 1cs0B 214 :CRLTIVPAQ T0326 90 :TTFSAVKDRKFDGFIITGAPVELLP 1cs0B 223 :TSAEDVLKMNPDGIFLSNGPGDPAP T0326 121 :WEELTEIMEWSRHNVYSTMF 1cs0B 248 :CDYAITAIQKFLETDIPVFG T0326 144 :AAQAGLYYFYGIPKYELPQKLSGVYKHRVAKD 1cs0B 271 :GHQLLALASGAKTVKMKFGHHGGNHPVKDVEK T0326 183 :DDFFWAPHSRYTEVKKED 1cs0B 303 :NVVMITAQNHGFAVDEAT T0326 204 :VP 1cs0B 321 :LP T0326 206 :ELEILAES 1cs0B 324 :NLRVTHKS T0326 214 :DEAGVYVVANKSERQIFVTGHPE 1cs0B 333 :FDGTLQGIHRTDKPAFSFQGHPE T0326 281 :HLFFSNWLNYCI 1cs0B 364 :APLFDHFIELIE Number of specific fragments extracted= 12 number of extra gaps= 0 total=1326 Number of alignments=92 # 1cs0B read from 1cs0B/merged-good-all-a2m # found chain 1cs0B in template set Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1cs0B)L270 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1cs0B)L270 T0326 31 :QDIRPLEILILNLMP 1cs0B 187 :EDELPFHVVAYDFGA T0326 52 :IQLLRLL 1cs0B 203 :RNILRML T0326 63 :LQVNVTLLYTET 1cs0B 212 :RGCRLTIVPAQT T0326 91 :TFSAVKDRKFDGFIITGAPVEL 1cs0B 224 :SAEDVLKMNPDGIFLSNGPGDP T0326 119 :DYWEELTEIMEWSRHNVYSTMF 1cs0B 246 :APCDYAITAIQKFLETDIPVFG T0326 144 :AAQAGLYY 1cs0B 271 :GHQLLALA T0326 153 :YGIPKYELPQKLSGV 1cs0B 279 :SGAKTVKMKFGHHGG T0326 168 :YKHRVAKDS 1cs0B 295 :HPVKDVEKN T0326 185 :FFWAPHSRYTEVK 1cs0B 310 :QNHGFAVDEATLP T0326 205 :PELEILAESD 1cs0B 323 :ANLRVTHKSL T0326 215 :EAGVYVVANKSERQIFVTGHPEYDR 1cs0B 334 :DGTLQGIHRTDKPAFSFQGHPEASP T0326 240 :YTLRDEYYRDI 1cs0B 364 :APLFDHFIELI Number of specific fragments extracted= 12 number of extra gaps= 0 total=1338 Number of alignments=93 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1q7rA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1q7rA expands to /projects/compbio/data/pdb/1q7r.pdb.gz 1q7rA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 515, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 517, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 519, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 521, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 523, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 525, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 527, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 529, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 531, because occupancy 0.500 <= existing 0.500 in 1q7rA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 624, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 626, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 628, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 630, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 632, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 634, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 636, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 638, because occupancy 0.500 <= existing 0.500 in 1q7rA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 1054, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 1056, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 1058, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 1060, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 1062, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 1064, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 1066, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 1068, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 1070, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 1072, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 1236, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 1238, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 1240, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 1242, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 1244, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 1246, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 1248, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 1250, because occupancy 0.500 <= existing 0.500 in 1q7rA Skipped atom 1252, because occupancy 0.500 <= existing 0.500 in 1q7rA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 1502, because occupancy 0.500 <= existing 0.500 in 1q7rA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1504, because occupancy 0.500 <= existing 0.500 in 1q7rA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1506, because occupancy 0.500 <= existing 0.500 in 1q7rA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1508, because occupancy 0.500 <= existing 0.500 in 1q7rA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1510, because occupancy 0.500 <= existing 0.500 in 1q7rA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1512, because occupancy 0.500 <= existing 0.500 in 1q7rA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1514, because occupancy 0.500 <= existing 0.500 in 1q7rA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1516, because occupancy 0.500 <= existing 0.500 in 1q7rA # T0326 read from 1q7rA/merged-good-all-a2m # 1q7rA read from 1q7rA/merged-good-all-a2m # adding 1q7rA to template set # found chain 1q7rA in template set Warning: unaligning (T0326)T50 because first residue in template chain is (1q7rA)L-5 T0326 51 :EIQLLRLLGNTPLQVNVTL 1q7rA -4 :YFQSNMKIGVLGLQGAVRE T0326 71 :YTETHKPKHTPIEHILK 1q7rA 15 :HVRAIEACGAEAVIVKK T0326 92 :FS 1q7rA 32 :SE T0326 96 :KDRKFDGFIITGAP 1q7rA 34 :QLEGLDGLVLPGGE T0326 118 :VDYWEE 1q7rA 48 :STTMRR T0326 124 :LTEIMEWSRHNVYSTMFICWAAQAGL 1q7rA 60 :LMEPLKQFAAAGKPMFGTCAGLILLA T0326 156 :PKYELPQKLSGVYKHRVAKD 1q7rA 87 :RIVGYDEPHLGLMDITVERN T0326 179 :FRGHDDFFWA 1q7rA 121 :IKGVGDGFVG T0326 193 :YTEVK 1q7rA 131 :VFIRA T0326 199 :EDIDKVPE 1q7rA 136 :PHIVEAGD T0326 207 :LEILAESDEA 1q7rA 145 :VDVLATYNDR T0326 218 :VYVVANKS 1q7rA 155 :IVAARQGQ T0326 228 :QIFVTGHPEYDRYT 1q7rA 163 :FLGCSFHPELTDDH T0326 282 :LFFSNWLNYCIY 1q7rA 177 :RLMQYFLNMVKE Number of specific fragments extracted= 14 number of extra gaps= 0 total=1352 Number of alignments=94 # 1q7rA read from 1q7rA/merged-good-all-a2m # found chain 1q7rA in template set T0326 34 :RPLEILILN 1q7rA -1 :SNMKIGVLG T0326 44 :MPDKIKTEIQLLRLLG 1q7rA 8 :LQGAVREHVRAIEACG T0326 65 :VNVTLLYTET 1q7rA 24 :AEAVIVKKSE T0326 96 :KDRKFDGFIITGAPV 1q7rA 34 :QLEGLDGLVLPGGES T0326 115 :FEEVDYWEE 1q7rA 49 :TTMRRLIDR T0326 124 :LTEIMEWSRHNVYSTMFICWAAQAGL 1q7rA 60 :LMEPLKQFAAAGKPMFGTCAGLILLA T0326 155 :IPKYELPQKLSGVYKHRV 1q7rA 86 :KRIVGYDEPHLGLMDITV T0326 175 :DSV 1q7rA 112 :RES T0326 178 :LFRGHDDFFWAPHSRYTEV 1q7rA 120 :SIKGVGDGFVGVFIRAPHI T0326 205 :PELEILAESDEAGVYVVA 1q7rA 143 :DGVDVLATYNDRIVAARQ T0326 226 :ERQIFVTGHPEYDRY 1q7rA 161 :GQFLGCSFHPELTDD T0326 281 :HLFFSNWLNYCI 1q7rA 176 :HRLMQYFLNMVK Number of specific fragments extracted= 12 number of extra gaps= 0 total=1364 Number of alignments=95 # 1q7rA read from 1q7rA/merged-good-all-a2m # found chain 1q7rA in template set T0326 33 :IRPLEILILNLMPDKI 1q7rA -2 :QSNMKIGVLGLQGAVR T0326 53 :QLLRLLGNTP 1q7rA 14 :EHVRAIEACG T0326 65 :VNVTLLYTETH 1q7rA 24 :AEAVIVKKSEQ T0326 97 :DRKFDGFIITGAP 1q7rA 35 :LEGLDGLVLPGGE T0326 121 :WEELTEIMEW 1q7rA 48 :STTMRRLIDR T0326 131 :SRHNVYSTMFICWAAQAGLY 1q7rA 67 :FAAAGKPMFGTCAGLILLAK T0326 156 :PKYELPQKLSGVYKHRVA 1q7rA 87 :RIVGYDEPHLGLMDITVE T0326 174 :KDSV 1q7rA 110 :RQRE T0326 179 :FRGHDDFFWAPHSRY 1q7rA 121 :IKGVGDGFVGVFIRA T0326 194 :TEVK 1q7rA 139 :VEAG T0326 205 :PELEILAESDEAGVYVVA 1q7rA 143 :DGVDVLATYNDRIVAARQ T0326 226 :ERQIFVTGHPEYDR 1q7rA 161 :GQFLGCSFHPELTD T0326 240 :YTLRDEYYRD 1q7rA 176 :HRLMQYFLNM Number of specific fragments extracted= 13 number of extra gaps= 0 total=1377 Number of alignments=96 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1kxjA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0326/1kxjA/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0326/1kxjA/merged-good-all-a2m.gz for input Trying 1kxjA/merged-good-all-a2m Error: Couldn't open file 1kxjA/merged-good-all-a2m or 1kxjA/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1wl8A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1wl8A expands to /projects/compbio/data/pdb/1wl8.pdb.gz 1wl8A:Bad short name: N1 for alphabet: pdb_atoms Bad short name: C2 for alphabet: pdb_atoms Bad short name: C3 for alphabet: pdb_atoms Bad short name: N3 for alphabet: pdb_atoms Bad short name: C4 for alphabet: pdb_atoms Bad short name: C5 for alphabet: pdb_atoms Bad short name: O2 for alphabet: pdb_atoms Bad short name: O5 for alphabet: pdb_atoms Bad short name: OD for alphabet: pdb_atoms # T0326 read from 1wl8A/merged-good-all-a2m # 1wl8A read from 1wl8A/merged-good-all-a2m # adding 1wl8A to template set # found chain 1wl8A in template set Warning: unaligning (T0326)D175 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1wl8A)E113 Warning: unaligning (T0326)V177 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1wl8A)E113 Warning: unaligning (T0326)L178 because of BadResidue code BAD_PEPTIDE at template residue (1wl8A)I114 Warning: unaligning (T0326)E215 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1wl8A)P149 Warning: unaligning (T0326)G217 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1wl8A)P149 T0326 57 :LLGNTPLQVNVTLLYTETHKPKHTPIEHI 1wl8A 2 :MIVIMDNGGQYVHRIWRTLRYLGVETKII T0326 87 :KFYTTFSAVKDRKFDGFIITGAPV 1wl8A 31 :PNTTPLEEIKAMNPKGIIFSGGPS T0326 115 :FEEVDYW 1wl8A 55 :LENTGNC T0326 129 :EWSRHN 1wl8A 62 :EKVLEH T0326 135 :VYSTMFICWAAQAGLYYF 1wl8A 72 :NVPILGICLGHQLIAKFF T0326 154 :GIPKYELPQKLSGVYKHRVAK 1wl8A 90 :GGKVGRGEKAEYSLVEIEIID T0326 179 :FRGHDDFFWA 1wl8A 115 :FKGLPKRLKV T0326 193 :YTEVK 1wl8A 125 :WESHM T0326 199 :EDIDKVPE 1wl8A 130 :DEVKELPP T0326 207 :LEILAESD 1wl8A 139 :FKILARSE T0326 218 :VYVVANKSERQIFVTGHPEYDRYTLRDEYYRDIGRN 1wl8A 150 :IEAMKHEELPIYGVQFHPEVAHTEKGEEILRNFAKL Number of specific fragments extracted= 11 number of extra gaps= 0 total=1388 Number of alignments=97 # 1wl8A read from 1wl8A/merged-good-all-a2m # found chain 1wl8A in template set Warning: unaligning (T0326)L36 because first residue in template chain is (1wl8A)M1 Warning: unaligning (T0326)D175 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1wl8A)E113 Warning: unaligning (T0326)V177 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1wl8A)E113 Warning: unaligning (T0326)L178 because of BadResidue code BAD_PEPTIDE at template residue (1wl8A)I114 Warning: unaligning (T0326)E215 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1wl8A)P149 Warning: unaligning (T0326)G217 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1wl8A)P149 T0326 37 :EILILNLMPDKIKTEIQLLRLLG 1wl8A 2 :MIVIMDNGGQYVHRIWRTLRYLG T0326 65 :VNVTLLYTE 1wl8A 25 :VETKIIPNT T0326 90 :TTFSAVKDRKFDGFIITGAPV 1wl8A 34 :TPLEEIKAMNPKGIIFSGGPS T0326 115 :FE 1wl8A 55 :LE T0326 128 :MEWSRHN 1wl8A 61 :CEKVLEH T0326 135 :VYSTMFICWAAQAGLYYFYGIPK 1wl8A 72 :NVPILGICLGHQLIAKFFGGKVG T0326 159 :ELPQKLSGVYKHRVAK 1wl8A 95 :RGEKAEYSLVEIEIID T0326 179 :FRGHDDFFWA 1wl8A 115 :FKGLPKRLKV T0326 194 :TEVKKEDIDKVP 1wl8A 125 :WESHMDEVKELP T0326 206 :ELEILAESD 1wl8A 138 :KFKILARSE T0326 218 :VYVVANKSERQIFVTGHPEYDRYTL 1wl8A 150 :IEAMKHEELPIYGVQFHPEVAHTEK T0326 280 :AHLFFSNWLNYC 1wl8A 175 :GEEILRNFAKLC Number of specific fragments extracted= 12 number of extra gaps= 0 total=1400 Number of alignments=98 # 1wl8A read from 1wl8A/merged-good-all-a2m # found chain 1wl8A in template set Warning: unaligning (T0326)L36 because first residue in template chain is (1wl8A)M1 Warning: unaligning (T0326)D175 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1wl8A)E113 Warning: unaligning (T0326)V177 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1wl8A)E113 Warning: unaligning (T0326)L178 because of BadResidue code BAD_PEPTIDE at template residue (1wl8A)I114 Warning: unaligning (T0326)E215 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1wl8A)P149 Warning: unaligning (T0326)G217 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1wl8A)P149 T0326 37 :EILILNLMPDKIKTEIQLLRLLG 1wl8A 2 :MIVIMDNGGQYVHRIWRTLRYLG T0326 65 :VNVTLLYTE 1wl8A 25 :VETKIIPNT T0326 90 :TTFSAVKDRKFDGFIITGAPV 1wl8A 34 :TPLEEIKAMNPKGIIFSGGPS T0326 115 :FEEVDY 1wl8A 55 :LENTGN T0326 124 :LTEIMEWSRHNVYSTMFICWAAQAGLYYFYG 1wl8A 61 :CEKVLEHYDEFNVPILGICLGHQLIAKFFGG T0326 156 :PKYELPQKLSGVYKHRVAK 1wl8A 92 :KVGRGEKAEYSLVEIEIID T0326 179 :FRGHDDFFWAPHSRYTEVK 1wl8A 115 :FKGLPKRLKVWESHMDEVK T0326 202 :DKVPELEILAESD 1wl8A 134 :ELPPKFKILARSE T0326 218 :VYVVANKSERQIFVTGHPEYDRYTLRDEYYRDIG 1wl8A 150 :IEAMKHEELPIYGVQFHPEVAHTEKGEEILRNFA Number of specific fragments extracted= 9 number of extra gaps= 0 total=1409 Number of alignments=99 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1qvzA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1qvzA expands to /projects/compbio/data/pdb/1qvz.pdb.gz 1qvzA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 589, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 591, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 593, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 595, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 597, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 599, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 601, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 603, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 605, because occupancy 0.500 <= existing 0.500 in 1qvzA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: OD for alphabet: pdb_atoms Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1731, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 1733, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 1735, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 1737, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 1739, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 1741, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 1773, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 1775, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 1777, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 1779, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 1781, because occupancy 0.500 <= existing 0.500 in 1qvzA Skipped atom 1783, because occupancy 0.500 <= existing 0.500 in 1qvzA # T0326 read from 1qvzA/merged-good-all-a2m # 1qvzA read from 1qvzA/merged-good-all-a2m # adding 1qvzA to template set # found chain 1qvzA in template set Warning: unaligning (T0326)R34 because first residue in template chain is (1qvzA)A2 Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1qvzA)H139 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1qvzA)H139 T0326 35 :PLEILILNLMPDKI 1qvzA 3 :PKKVLLALTSYNDV T0326 62 :PLQVNVT 1qvzA 17 :FYSDGMK T0326 69 :LLYTETHKPKHTPIEHI 1qvzA 32 :LHPFNTFRKEGFEVDFV T0326 87 :KF 1qvzA 49 :SE T0326 89 :YTTFSAVKDRKFDGFIITGAPVE 1qvzA 88 :IKTPKEVNADDYQIFMASAGHGT T0326 115 :FEEVDYWEELTEIMEWSRHNVYSTMF 1qvzA 111 :LFDYPKAKDLQDIASEIYANGGVVAA T0326 144 :A 1qvzA 140 :G T0326 152 :FYGI 1qvzA 144 :FDGL T0326 157 :KYELPQKLSGV 1qvzA 197 :KYLAPVGPWDD T0326 169 :KHRVAKD 1qvzA 208 :YSITDGR Number of specific fragments extracted= 10 number of extra gaps= 0 total=1419 Number of alignments=100 # 1qvzA read from 1qvzA/merged-good-all-a2m # found chain 1qvzA in template set Warning: unaligning (T0326)R34 because first residue in template chain is (1qvzA)A2 Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1qvzA)H139 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1qvzA)H139 T0326 35 :PLEILILNLM 1qvzA 3 :PKKVLLALTS T0326 45 :PDKIKTE 1qvzA 19 :SDGMKTG T0326 52 :IQLLRLLGNTP 1qvzA 32 :LHPFNTFRKEG T0326 65 :VNVTLLYTET 1qvzA 43 :FEVDFVSETG T0326 78 :KHTPIEH 1qvzA 53 :KFGWDEH T0326 85 :ILKFYTTFSAVKDRKFDGFIITGA 1qvzA 84 :TLAKIKTPKEVNADDYQIFMASAG T0326 117 :EVDYWEELTEIMEWSRHNVYSTMF 1qvzA 113 :DYPKAKDLQDIASEIYANGGVVAA T0326 144 :A 1qvzA 140 :G T0326 151 :YFYGIPKYE 1qvzA 143 :MFDGLTDKK T0326 174 :KDSVLFR 1qvzA 152 :TGRPLIE T0326 183 :DDFFWA 1qvzA 159 :GKSITG T0326 189 :PHSRYTEVK 1qvzA 183 :NLATVEDVA T0326 202 :DKV 1qvzA 192 :KKY T0326 206 :ELEILAESDEAGVYVVANKS 1qvzA 195 :GAKYLAPVGPWDDYSITDGR T0326 229 :IFVTGHPEYDRYTLRDEYY 1qvzA 215 :LVTGVNPASAHSTAVRSID Number of specific fragments extracted= 15 number of extra gaps= 0 total=1434 Number of alignments=101 # 1qvzA read from 1qvzA/merged-good-all-a2m # found chain 1qvzA in template set Warning: unaligning (T0326)R34 because first residue in template chain is (1qvzA)A2 Warning: unaligning (T0326)I141 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1qvzA)H139 Warning: unaligning (T0326)W143 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1qvzA)H139 T0326 35 :PLEILILNLMPDKI 1qvzA 3 :PKKVLLALTSYNDV T0326 49 :KTEIQLLRLLGNTPLQVNVT 1qvzA 29 :VEALHPFNTFRKEGFEVDFV T0326 69 :LLYTETHKPKHTPIEHILKFYTT 1qvzA 54 :FGWDEHSLAKDFLNGQDETDFKN T0326 92 :FSAVKDR 1qvzA 81 :FNKTLAK T0326 99 :KFDGFIITGA 1qvzA 98 :DYQIFMASAG T0326 115 :FEE 1qvzA 114 :YPK T0326 121 :WEELTEIMEWSRHNVYSTMF 1qvzA 117 :AKDLQDIASEIYANGGVVAA T0326 144 :A 1qvzA 140 :G T0326 151 :YFYGIPKY 1qvzA 143 :MFDGLTDK T0326 173 :AKDSVLFRGHD 1qvzA 151 :KTGRPLIEGKS T0326 188 :APHS 1qvzA 162 :ITGF T0326 193 :YTEV 1qvzA 172 :IMGV T0326 198 :KEDIDKVP 1qvzA 176 :DSILKAKN T0326 206 :ELEILAESDEAGVYVVANKS 1qvzA 195 :GAKYLAPVGPWDDYSITDGR T0326 230 :FVTG 1qvzA 215 :LVTG T0326 237 :YDRYTLRDEYYRDIG 1qvzA 219 :VNPASAHSTAVRSID Number of specific fragments extracted= 16 number of extra gaps= 0 total=1450 Number of alignments=102 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1c3oB/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1c3oB expands to /projects/compbio/data/pdb/1c3o.pdb.gz 1c3oB:# T0326 read from 1c3oB/merged-good-all-a2m # 1c3oB read from 1c3oB/merged-good-all-a2m # adding 1c3oB to template set # found chain 1c3oB in template set Warning: unaligning (T0326)L112 because of BadResidue code BAD_PEPTIDE in next template residue (1c3oB)A246 Warning: unaligning (T0326)E116 because of BadResidue code BAD_PEPTIDE at template residue (1c3oB)A246 T0326 10 :PAVKVLAKEGIFV 1c3oB 117 :KLTRLLREKGAQN T0326 23 :MTEKRAIHQ 1c3oB 138 :PDAALALEK T0326 32 :DIRPLEILILNLMPD 1c3oB 163 :TTAEAYSWTQGSWTL T0326 47 :K 1c3oB 179 :G T0326 48 :IKTEIQLLR 1c3oB 183 :EAKKEDELP T0326 57 :LLGNTPLQ 1c3oB 193 :HVVAYDFG T0326 67 :VTLLYTETHKPKHTPIEHI 1c3oB 201 :AKRNILRMLVDRGCRLTIV T0326 87 :KFYTTFSAVKDRKFDGFIITGAPVE 1c3oB 220 :PAQTSAEDVLKMNPDGIFLSNGPGD T0326 120 :YWEELTEIMEWSRHNVYSTMFICWAAQAGLYYF 1c3oB 247 :PCDYAITAIQKFLETDIPVFGISLGHQLLALAS T0326 154 :GIPKYELPQKL 1c3oB 280 :GAKTVKMKFGH T0326 165 :SGVYKHRVAKDS 1c3oB 292 :GGNHPVKDVEKN T0326 186 :FWAPHSRYTEVK 1c3oB 304 :VVMITAQNHGFA T0326 199 :EDIDKVPE 1c3oB 316 :VDEATLPA T0326 207 :LEILAES 1c3oB 325 :LRVTHKS T0326 214 :DEAGVYVVANKSERQIFVTGHPEYDRYTLR 1c3oB 333 :FDGTLQGIHRTDKPAFSFQGHPEASPGPHD T0326 275 :T 1c3oB 365 :P T0326 283 :FFSNWLNYCIY 1c3oB 366 :LFDHFIELIEQ Number of specific fragments extracted= 17 number of extra gaps= 1 total=1467 Number of alignments=103 # 1c3oB read from 1c3oB/merged-good-all-a2m # found chain 1c3oB in template set Warning: unaligning (T0326)L112 because of BadResidue code BAD_PEPTIDE in next template residue (1c3oB)A246 Warning: unaligning (T0326)L113 because of BadResidue code BAD_PEPTIDE at template residue (1c3oB)A246 T0326 31 :QDIRPLEILILNLM 1c3oB 187 :EDELPFHVVAYDFG T0326 51 :EIQLLRLL 1c3oB 202 :KRNILRML T0326 59 :G 1c3oB 213 :G T0326 65 :VNVTLLYTE 1c3oB 214 :CRLTIVPAQ T0326 90 :TTFSAVKDRKFDGFIITGAPVE 1c3oB 223 :TSAEDVLKMNPDGIFLSNGPGD T0326 114 :P 1c3oB 247 :P T0326 121 :WEELTEIMEWSRHNVYSTMFICWAAQAGLYYFYGIPKYELPQKLSGVYKHRVAKD 1c3oB 248 :CDYAITAIQKFLETDIPVFGISLGHQLLALASGAKTVKMKFGHHGGNHPVKDVEK T0326 183 :DDFFWAPHSRYTEVKKED 1c3oB 303 :NVVMITAQNHGFAVDEAT T0326 204 :VP 1c3oB 321 :LP T0326 206 :ELEILAES 1c3oB 324 :NLRVTHKS T0326 214 :DEAGVYVVANKSERQIFVTGHPE 1c3oB 333 :FDGTLQGIHRTDKPAFSFQGHPE T0326 237 :YDRYTLRDEYYRDIG 1c3oB 365 :PLFDHFIELIEQYRK Number of specific fragments extracted= 12 number of extra gaps= 1 total=1479 Number of alignments=104 # 1c3oB read from 1c3oB/merged-good-all-a2m # found chain 1c3oB in template set Warning: unaligning (T0326)L112 because of BadResidue code BAD_PEPTIDE in next template residue (1c3oB)A246 Warning: unaligning (T0326)D119 because of BadResidue code BAD_PEPTIDE at template residue (1c3oB)A246 T0326 31 :QDIRPLEILILNLMP 1c3oB 187 :EDELPFHVVAYDFGA T0326 52 :IQLLRLL 1c3oB 203 :RNILRML T0326 63 :LQVNVTLLYTET 1c3oB 212 :RGCRLTIVPAQT T0326 91 :TFSAVKDRKFDGFIITGAPVE 1c3oB 224 :SAEDVLKMNPDGIFLSNGPGD T0326 120 :YWEELTEIMEWSRHNVYSTMFICWAAQAGLY 1c3oB 247 :PCDYAITAIQKFLETDIPVFGISLGHQLLAL T0326 152 :FYGIPKYELPQKLSG 1c3oB 278 :ASGAKTVKMKFGHHG T0326 167 :VYKHRVAKDS 1c3oB 294 :NHPVKDVEKN T0326 186 :FWAPHSRYTEVK 1c3oB 311 :NHGFAVDEATLP T0326 205 :PELEILAESD 1c3oB 323 :ANLRVTHKSL T0326 215 :EAGVYVVANKSERQIFVTGHPEYDR 1c3oB 334 :DGTLQGIHRTDKPAFSFQGHPEASP T0326 240 :YTLRDEYYRDI 1c3oB 364 :APLFDHFIELI Number of specific fragments extracted= 11 number of extra gaps= 1 total=1490 Number of alignments=105 # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0326//projects/compbio/experiments/protein-predict/casp7/T0326/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0326//projects/compbio/experiments/protein-predict/casp7/T0326/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0326/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0326/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((T0326)I105.CB, (T0326)F140.CB) [> 2.6811 = 4.4686 < 5.8091] w=1.0000 to align # Constraint # added constraint: constraint((T0326)I105.CB, (T0326)M139.CB) [> 4.2887 = 7.1479 < 9.2922] w=1.0000 to align # Constraint # added constraint: constraint((T0326)F103.CB, (T0326)M139.CB) [> 4.3158 = 7.1929 < 9.3508] w=1.0000 to align # Constraint # added constraint: constraint((T0326)F103.CB, (T0326)T138.CB) [> 2.9536 = 4.9226 < 6.3994] w=1.0000 to align # Constraint # added constraint: constraint((T0326)F103.CB, (T0326)S137.CB) [> 4.2778 = 7.1297 < 9.2687] w=1.0000 to align # Constraint # added constraint: constraint((T0326)G102.CA, (T0326)T138.CB) [> 4.1151 = 6.8584 < 8.9159] w=1.0000 to align # Constraint # added constraint: constraint((T0326)G102.CA, (T0326)S137.CB) [> 2.7744 = 4.6240 < 6.0112] w=1.0000 to align # Constraint # added constraint: constraint((T0326)I104.CB, (T0326)M139.CB) [> 2.8460 = 4.7434 < 6.1664] w=0.9888 to align # Constraint # added constraint: constraint((T0326)G102.CA, (T0326)Y136.CB) [> 3.1818 = 5.3029 < 6.8938] w=0.9787 to align # Constraint # added constraint: constraint((T0326)D101.CB, (T0326)Y136.CB) [> 3.8644 = 6.4408 < 8.3730] w=0.9787 to align # Constraint # added constraint: constraint((T0326)I104.CB, (T0326)F140.CB) [> 4.4917 = 7.4861 < 9.7320] w=0.9697 to align # Constraint # added constraint: constraint((T0326)F103.CB, (T0326)Y136.CB) [> 3.8732 = 6.4553 < 8.3919] w=0.9484 to align # Constraint # added constraint: constraint((T0326)I105.CB, (T0326)T138.CB) [> 4.2575 = 7.0959 < 9.2247] w=0.9283 to align # Constraint # added constraint: constraint((T0326)M139.CB, (T0326)F230.CB) [> 4.3066 = 7.1776 < 9.3309] w=0.9084 to align # Constraint # added constraint: constraint((T0326)I105.CB, (T0326)A144.CB) [> 2.0835 = 3.4725 < 4.5142] w=0.9080 to align # Constraint # added constraint: constraint((T0326)D101.CB, (T0326)S137.CB) [> 4.2186 = 7.0310 < 9.1403] w=0.8787 to align # Constraint # added constraint: constraint((T0326)G102.CA, (T0326)M139.CB) [> 4.4319 = 7.3865 < 9.6025] w=0.8787 to align # Constraint # added constraint: constraint((T0326)F140.CB, (T0326)F230.CB) [> 2.7810 = 4.6350 < 6.0255] w=0.8783 to align # Constraint # added constraint: constraint((T0326)M139.CB, (T0326)I229.CB) [> 3.0866 = 5.1444 < 6.6877] w=0.8782 to align # Constraint # added constraint: constraint((T0326)T138.CB, (T0326)I229.CB) [> 4.2856 = 7.1426 < 9.2854] w=0.8681 to align # Constraint # added constraint: constraint((T0326)T106.CB, (T0326)A144.CB) [> 3.3962 = 5.6603 < 7.3584] w=0.8608 to align # Constraint # added constraint: constraint((T0326)M128.CB, (T0326)T138.CB) [> 3.9644 = 6.6074 < 8.5896] w=0.8594 to align # Constraint # added constraint: constraint((T0326)V221.CB, (T0326)F230.CB) [> 3.2955 = 5.4925 < 7.1403] w=0.8579 to align # Constraint # added constraint: constraint((T0326)T138.CB, (T0326)Q228.CB) [> 2.9343 = 4.8906 < 6.3577] w=0.8381 to align # Constraint # added constraint: constraint((T0326)F103.CB, (T0326)S131.CB) [> 3.3569 = 5.5949 < 7.2733] w=0.8343 to align # Constraint # added constraint: constraint((T0326)F100.CB, (T0326)Y136.CB) [> 3.9960 = 6.6601 < 8.6581] w=0.8271 to align # Constraint # added constraint: constraint((T0326)G107.CA, (T0326)A144.CB) [> 2.9505 = 4.9176 < 6.3928] w=0.8175 to align # Constraint # added constraint: constraint((T0326)I104.CB, (T0326)T138.CB) [> 4.5395 = 7.5658 < 9.8356] w=0.8087 to align # Constraint # added constraint: constraint((T0326)F140.CB, (T0326)I229.CB) [> 4.3757 = 7.2929 < 9.4807] w=0.8078 to align # Constraint # added constraint: constraint((T0326)F140.CB, (T0326)V231.CB) [> 4.4390 = 7.3983 < 9.6177] w=0.7971 to align # Constraint # added constraint: constraint((T0326)S137.CB, (T0326)Q228.CB) [> 4.4277 = 7.3794 < 9.5933] w=0.7775 to align # Constraint # added constraint: constraint((T0326)V220.CB, (T0326)V231.CB) [> 3.1957 = 5.3262 < 6.9241] w=0.7769 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)I104.CB) [> 2.9385 = 4.8975 < 6.3667] w=0.7566 to align # Constraint # added constraint: constraint((T0326)L39.CB, (T0326)I104.CB) [> 4.1776 = 6.9627 < 9.0515] w=0.7566 to align # Constraint # added constraint: constraint((T0326)L39.CB, (T0326)F103.CB) [> 3.0783 = 5.1304 < 6.6696] w=0.7566 to align # Constraint # added constraint: constraint((T0326)L39.CB, (T0326)G102.CA) [> 3.7632 = 6.2719 < 8.1535] w=0.7465 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)I104.CB) [> 4.1053 = 6.8422 < 8.8949] w=0.7465 to align # Constraint # added constraint: constraint((T0326)E37.CB, (T0326)D101.CB) [> 3.3619 = 5.6031 < 7.2840] w=0.7465 to align # Constraint # added constraint: constraint((T0326)A145.CB, (T0326)F230.CB) [> 2.2644 = 3.7740 < 4.9062] w=0.7371 to align # Constraint # added constraint: constraint((T0326)F140.CB, (T0326)Q228.CB) [> 4.4965 = 7.4942 < 9.7425] w=0.7371 to align # Constraint # added constraint: constraint((T0326)V220.CB, (T0326)F230.CB) [> 3.9316 = 6.5527 < 8.5185] w=0.7367 to align # Constraint # added constraint: constraint((T0326)I104.CB, (T0326)A144.CB) [> 4.3566 = 7.2609 < 9.4392] w=0.7275 to align # Constraint # added constraint: constraint((T0326)Y219.CB, (T0326)T232.CB) [> 3.2099 = 5.3498 < 6.9547] w=0.7267 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)G102.CA) [> 3.0912 = 5.1519 < 6.6975] w=0.7263 to align # Constraint # added constraint: constraint((T0326)E37.CB, (T0326)G102.CA) [> 4.4542 = 7.4236 < 9.6507] w=0.7263 to align # Constraint # added constraint: constraint((T0326)M139.CB, (T0326)Q228.CB) [> 4.5592 = 7.5987 < 9.8783] w=0.7168 to align # Constraint # added constraint: constraint((T0326)V218.CB, (T0326)T232.CB) [> 4.0196 = 6.6993 < 8.7090] w=0.7167 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)F103.CB) [> 4.1213 = 6.8689 < 8.9295] w=0.7162 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)I104.CB) [> 3.6824 = 6.1374 < 7.9786] w=0.7162 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)I105.CB) [> 3.0096 = 5.0161 < 6.5209] w=0.7162 to align # Constraint # added constraint: constraint((T0326)V220.CB, (T0326)T232.CB) [> 4.0552 = 6.7587 < 8.7863] w=0.7062 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)T106.CB) [> 3.9309 = 6.5514 < 8.5168] w=0.7061 to align # Constraint # added constraint: constraint((T0326)E37.CB, (T0326)F100.CB) [> 3.2174 = 5.3623 < 6.9710] w=0.6980 to align # Constraint # added constraint: constraint((T0326)I105.CB, (T0326)I141.CB) [> 4.2437 = 7.0728 < 9.1947] w=0.6973 to align # Constraint # added constraint: constraint((T0326)L39.CB, (T0326)F100.CB) [> 2.6358 = 4.3931 < 5.7110] w=0.6970 to align # Constraint # added constraint: constraint((T0326)A145.CB, (T0326)T232.CB) [> 3.2428 = 5.4047 < 7.0261] w=0.6967 to align # Constraint # added constraint: constraint((T0326)L210.CB, (T0326)V221.CB) [> 3.5531 = 5.9218 < 7.6983] w=0.6966 to align # Constraint # added constraint: constraint((T0326)S137.CB, (T0326)R227.CB) [> 2.9204 = 4.8674 < 6.3276] w=0.6868 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)F103.CB) [> 4.3611 = 7.2685 < 9.4491] w=0.6859 to align # Constraint # added constraint: constraint((T0326)N42.CB, (T0326)T106.CB) [> 3.5190 = 5.8650 < 7.6246] w=0.6859 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)T68.CB) [> 4.1749 = 6.9582 < 9.0456] w=0.6791 to align # Constraint # added constraint: constraint((T0326)L210.CB, (T0326)V220.CB) [> 2.7435 = 4.5725 < 5.9443] w=0.6767 to align # Constraint # added constraint: constraint((T0326)A145.CB, (T0326)V231.CB) [> 3.5605 = 5.9342 < 7.7144] w=0.6765 to align # Constraint # added constraint: constraint((T0326)T138.CB, (T0326)R227.CB) [> 4.1903 = 6.9839 < 9.0790] w=0.6666 to align # Constraint # added constraint: constraint((T0326)I105.CB, (T0326)A147.CB) [> 3.5705 = 5.9509 < 7.7362] w=0.6568 to align # Constraint # added constraint: constraint((T0326)I105.CB, (T0326)G148.CA) [> 4.4099 = 7.3499 < 9.5548] w=0.6568 to align # Constraint # added constraint: constraint((T0326)I209.CB, (T0326)V220.CB) [> 3.8051 = 6.3418 < 8.2443] w=0.6562 to align # Constraint # added constraint: constraint((T0326)I141.CB, (T0326)G233.CA) [> 3.9183 = 6.5306 < 8.4897] w=0.6560 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)T106.CB) [> 3.8609 = 6.4349 < 8.3653] w=0.6556 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)V67.CB) [> 3.4881 = 5.8134 < 7.5575] w=0.6488 to align # Constraint # added constraint: constraint((T0326)E208.CB, (T0326)A222.CB) [> 3.3466 = 5.5776 < 7.2509] w=0.6464 to align # Constraint # added constraint: constraint((T0326)L207.CB, (T0326)A222.CB) [> 4.0145 = 6.6908 < 8.6980] w=0.6464 to align # Constraint # added constraint: constraint((T0326)L207.CB, (T0326)V221.CB) [> 3.2674 = 5.4457 < 7.0794] w=0.6464 to align # Constraint # added constraint: constraint((T0326)R171.CB, (T0326)A211.CB) [> 3.8944 = 6.4906 < 8.4378] w=0.6464 to align # Constraint # added constraint: constraint((T0326)Y219.CB, (T0326)V231.CB) [> 3.8802 = 6.4669 < 8.4070] w=0.6461 to align # Constraint # added constraint: constraint((T0326)T106.CB, (T0326)I141.CB) [> 3.5665 = 5.9441 < 7.7274] w=0.6460 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)D101.CB) [> 3.9266 = 6.5444 < 8.5077] w=0.6454 to align # Constraint # added constraint: constraint((T0326)E37.CB, (T0326)N66.CB) [> 3.1043 = 5.1738 < 6.7259] w=0.6387 to align # Constraint # added constraint: constraint((T0326)G107.CA, (T0326)I141.CB) [> 3.5572 = 5.9286 < 7.7073] w=0.6365 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)F100.CB) [> 3.8716 = 6.4527 < 8.3885] w=0.6353 to align # Constraint # added constraint: constraint((T0326)L39.CB, (T0326)T68.CB) [> 3.2911 = 5.4852 < 7.1308] w=0.6286 to align # Constraint # added constraint: constraint((T0326)E208.CB, (T0326)V221.CB) [> 3.7020 = 6.1700 < 8.0210] w=0.6262 to align # Constraint # added constraint: constraint((T0326)H170.CB, (T0326)A211.CB) [> 3.0917 = 5.1529 < 6.6988] w=0.6261 to align # Constraint # added constraint: constraint((T0326)I104.CB, (T0326)I141.CB) [> 4.3033 = 7.1722 < 9.3238] w=0.6255 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)N66.CB) [> 4.2410 = 7.0684 < 9.1889] w=0.6185 to align # Constraint # added constraint: constraint((T0326)V220.CB, (T0326)I229.CB) [> 4.2553 = 7.0922 < 9.2198] w=0.6166 to align # Constraint # added constraint: constraint((T0326)I209.CB, (T0326)V221.CB) [> 3.5049 = 5.8415 < 7.5940] w=0.6158 to align # Constraint # added constraint: constraint((T0326)G107.CA, (T0326)W143.CB) [> 2.5594 = 4.2657 < 5.5454] w=0.6158 to align # Constraint # added constraint: constraint((T0326)C142.CB, (T0326)G233.CA) [> 3.4645 = 5.7741 < 7.5064] w=0.6156 to align # Constraint # added constraint: constraint((T0326)Y136.CB, (T0326)R227.CB) [> 4.1869 = 6.9781 < 9.0716] w=0.6059 to align # Constraint # added constraint: constraint((T0326)A108.CB, (T0326)W143.CB) [> 2.9396 = 4.8993 < 6.3691] w=0.6057 to align # Constraint # added constraint: constraint((T0326)G107.CA, (T0326)C142.CB) [> 2.8922 = 4.8203 < 6.2664] w=0.6057 to align # Constraint # added constraint: constraint((T0326)A188.CB, (T0326)G233.CA) [> 3.2564 = 5.4273 < 7.0555] w=0.5954 to align # Constraint # added constraint: constraint((T0326)I141.CB, (T0326)V231.CB) [> 3.3244 = 5.5407 < 7.2029] w=0.5954 to align # Constraint # added constraint: constraint((T0326)Y219.CB, (T0326)G233.CA) [> 3.9115 = 6.5192 < 8.4750] w=0.5951 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)V65.CB) [> 3.1719 = 5.2866 < 6.8725] w=0.5882 to align # Constraint # added constraint: constraint((T0326)N42.CB, (T0326)L69.CB) [> 3.2840 = 5.4733 < 7.1152] w=0.5871 to align # Constraint # added constraint: constraint((T0326)A173.CB, (T0326)L210.CB) [> 3.8403 = 6.4005 < 8.3207] w=0.5860 to align # Constraint # added constraint: constraint((T0326)H170.CB, (T0326)V220.CB) [> 4.2090 = 7.0149 < 9.1194] w=0.5855 to align # Constraint # added constraint: constraint((T0326)A144.CB, (T0326)F230.CB) [> 4.0925 = 6.8209 < 8.8671] w=0.5855 to align # Constraint # added constraint: constraint((T0326)S137.CB, (T0326)I229.CB) [> 4.1967 = 6.9944 < 9.0927] w=0.5851 to align # Constraint # added constraint: constraint((T0326)F92.CB, (T0326)I127.CB) [> 3.4574 = 5.7624 < 7.4911] w=0.5765 to align # Constraint # added constraint: constraint((T0326)L210.CB, (T0326)Y219.CB) [> 4.0546 = 6.7576 < 8.7849] w=0.5756 to align # Constraint # added constraint: constraint((T0326)L55.CB, (T0326)V67.CB) [> 3.3766 = 5.6277 < 7.3160] w=0.5708 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)L55.CB) [> 4.0830 = 6.8050 < 8.8465] w=0.5705 to align # Constraint # added constraint: constraint((T0326)R171.CB, (T0326)E212.CB) [> 3.4312 = 5.7186 < 7.4342] w=0.5658 to align # Constraint # added constraint: constraint((T0326)C142.CB, (T0326)H234.CB) [> 3.7714 = 6.2857 < 8.1714] w=0.5652 to align # Constraint # added constraint: constraint((T0326)F103.CB, (T0326)I127.CB) [> 4.0081 = 6.6802 < 8.6843] w=0.5649 to align # Constraint # added constraint: constraint((T0326)N42.CB, (T0326)L70.CB) [> 4.0212 = 6.7019 < 8.7125] w=0.5571 to align # Constraint # added constraint: constraint((T0326)P109.CB, (T0326)W143.CB) [> 4.1891 = 6.9818 < 9.0764] w=0.5552 to align # Constraint # added constraint: constraint((T0326)A188.CB, (T0326)H234.CB) [> 4.3087 = 7.1812 < 9.3356] w=0.5551 to align # Constraint # added constraint: constraint((T0326)I141.CB, (T0326)P235.CB) [> 4.0578 = 6.7630 < 8.7918] w=0.5551 to align # Constraint # added constraint: constraint((T0326)I141.CB, (T0326)H234.CB) [> 3.9746 = 6.6243 < 8.6116] w=0.5551 to align # Constraint # added constraint: constraint((T0326)C142.CB, (T0326)T232.CB) [> 3.7318 = 6.2196 < 8.0855] w=0.5550 to align # Constraint # added constraint: constraint((T0326)L207.CB, (T0326)N223.CB) [> 3.5669 = 5.9448 < 7.7283] w=0.5459 to align # Constraint # added constraint: constraint((T0326)Y168.CB, (T0326)S213.CB) [> 3.5859 = 5.9765 < 7.7694] w=0.5453 to align # Constraint # added constraint: constraint((T0326)R132.CB, (T0326)Q228.CB) [> 3.9767 = 6.6279 < 8.6162] w=0.5452 to align # Constraint # added constraint: constraint((T0326)I209.CB, (T0326)V218.CB) [> 3.5259 = 5.8764 < 7.6393] w=0.5450 to align # Constraint # added constraint: constraint((T0326)H170.CB, (T0326)F186.CB) [> 3.5189 = 5.8648 < 7.6243] w=0.5450 to align # Constraint # added constraint: constraint((T0326)G148.CA, (T0326)F230.CB) [> 3.7061 = 6.1768 < 8.0298] w=0.5355 to align # Constraint # added constraint: constraint((T0326)A211.CB, (T0326)V220.CB) [> 2.2248 = 3.7080 < 4.8204] w=0.5355 to align # Constraint # added constraint: constraint((T0326)V172.CB, (T0326)L210.CB) [> 4.0758 = 6.7930 < 8.8310] w=0.5352 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)F103.CB) [> 4.5077 = 7.5129 < 9.7668] w=0.5351 to align # Constraint # added constraint: constraint((T0326)I105.CB, (T0326)M128.CB) [> 4.2749 = 7.1249 < 9.2624] w=0.5308 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)L70.CB) [> 3.3164 = 5.5274 < 7.1856] w=0.5258 to align # Constraint # added constraint: constraint((T0326)E208.CB, (T0326)N223.CB) [> 4.0844 = 6.8074 < 8.8496] w=0.5257 to align # Constraint # added constraint: constraint((T0326)I141.CB, (T0326)F230.CB) [> 4.3421 = 7.2369 < 9.4079] w=0.5247 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)L70.CB) [> 4.0770 = 6.7949 < 8.8334] w=0.5157 to align # Constraint # added constraint: constraint((T0326)V172.CB, (T0326)A211.CB) [> 3.2284 = 5.3806 < 6.9948] w=0.5152 to align # Constraint # added constraint: constraint((T0326)L43.CB, (T0326)T106.CB) [> 3.5873 = 5.9789 < 7.7725] w=0.5148 to align # Constraint # added constraint: constraint((T0326)Q146.CB, (T0326)T232.CB) [> 4.5633 = 7.6055 < 9.8872] w=0.5147 to align # Constraint # added constraint: constraint((T0326)Y168.CB, (T0326)A188.CB) [> 3.4964 = 5.8274 < 7.5756] w=0.5147 to align # Constraint # added constraint: constraint((T0326)A173.CB, (T0326)I209.CB) [> 3.9540 = 6.5901 < 8.5671] w=0.5147 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)L69.CB) [> 3.2929 = 5.4883 < 7.1347] w=0.5076 to align # Constraint # added constraint: constraint((T0326)L210.CB, (T0326)A222.CB) [> 3.2140 = 5.3567 < 6.9637] w=0.5052 to align # Constraint # added constraint: constraint((T0326)H170.CB, (T0326)Y219.CB) [> 3.1574 = 5.2623 < 6.8410] w=0.5046 to align # Constraint # added constraint: constraint((T0326)A108.CB, (T0326)C142.CB) [> 4.1922 = 6.9871 < 9.0832] w=0.5046 to align # Constraint # added constraint: constraint((T0326)C142.CB, (T0326)V231.CB) [> 4.4961 = 7.4935 < 9.7416] w=0.5046 to align # Constraint # added constraint: constraint((T0326)L39.CB, (T0326)L70.CB) [> 3.3581 = 5.5969 < 7.2760] w=0.4955 to align # Constraint # added constraint: constraint((T0326)L149.CB, (T0326)F230.CB) [> 4.0368 = 6.7280 < 8.7464] w=0.4954 to align # Constraint # added constraint: constraint((T0326)K169.CB, (T0326)W187.CB) [> 3.4979 = 5.8298 < 7.5787] w=0.4950 to align # Constraint # added constraint: constraint((T0326)A145.CB, (T0326)V221.CB) [> 4.2922 = 7.1536 < 9.2997] w=0.4945 to align # Constraint # added constraint: constraint((T0326)F103.CB, (T0326)M128.CB) [> 3.9514 = 6.5856 < 8.5613] w=0.4938 to align # Constraint # added constraint: constraint((T0326)Y168.CB, (T0326)W187.CB) [> 4.1631 = 6.9386 < 9.0201] w=0.4905 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)V67.CB) [> 3.1715 = 5.2858 < 6.8715] w=0.4874 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)E51.CB) [> 3.7970 = 6.3282 < 8.2267] w=0.4864 to align # Constraint # added constraint: constraint((T0326)V167.CB, (T0326)W187.CB) [> 3.2395 = 5.3992 < 7.0189] w=0.4798 to align # Constraint # added constraint: constraint((T0326)M128.CB, (T0326)G148.CA) [> 3.5025 = 5.8375 < 7.5888] w=0.4762 to align # Constraint # added constraint: constraint((T0326)K169.CB, (T0326)F186.CB) [> 4.2562 = 7.0936 < 9.2217] w=0.4748 to align # Constraint # added constraint: constraint((T0326)H170.CB, (T0326)A188.CB) [> 3.4649 = 5.7748 < 7.5073] w=0.4748 to align # Constraint # added constraint: constraint((T0326)L58.CB, (T0326)I104.CB) [> 4.0451 = 6.7419 < 8.7645] w=0.4743 to align # Constraint # added constraint: constraint((T0326)E37.CB, (T0326)T68.CB) [> 3.9288 = 6.5480 < 8.5124] w=0.4742 to align # Constraint # added constraint: constraint((T0326)T106.CB, (T0326)C142.CB) [> 4.4272 = 7.3787 < 9.5923] w=0.4742 to align # Constraint # added constraint: constraint((T0326)M139.CB, (T0326)V231.CB) [> 4.1983 = 6.9972 < 9.0964] w=0.4736 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)T68.CB) [> 4.3522 = 7.2537 < 9.4298] w=0.4652 to align # Constraint # added constraint: constraint((T0326)A173.CB, (T0326)A211.CB) [> 3.8584 = 6.4306 < 8.3598] w=0.4647 to align # Constraint # added constraint: constraint((T0326)L36.CB, (T0326)D101.CB) [> 2.9107 = 4.8511 < 6.3064] w=0.4641 to align # Constraint # added constraint: constraint((T0326)T125.CB, (T0326)Y151.CB) [> 3.3425 = 5.5709 < 7.2422] w=0.4554 to align # Constraint # added constraint: constraint((T0326)E37.CB, (T0326)V65.CB) [> 4.2568 = 7.0946 < 9.2231] w=0.4553 to align # Constraint # added constraint: constraint((T0326)I141.CB, (T0326)E236.CB) [> 4.3723 = 7.2871 < 9.4732] w=0.4549 to align # Constraint # added constraint: constraint((T0326)H170.CB, (T0326)E212.CB) [> 4.1793 = 6.9655 < 9.0552] w=0.4546 to align # Constraint # added constraint: constraint((T0326)T106.CB, (T0326)W143.CB) [> 4.2643 = 7.1073 < 9.2394] w=0.4543 to align # Constraint # added constraint: constraint((T0326)I105.CB, (T0326)A145.CB) [> 4.6006 = 7.6677 < 9.9680] w=0.4540 to align # Constraint # added constraint: constraint((T0326)H170.CB, (T0326)S213.CB) [> 3.4435 = 5.7392 < 7.4610] w=0.4445 to align # Constraint # added constraint: constraint((T0326)L43.CB, (T0326)G107.CA) [> 3.5583 = 5.9305 < 7.7096] w=0.4443 to align # Constraint # added constraint: constraint((T0326)V167.CB, (T0326)A188.CB) [> 4.2265 = 7.0442 < 9.1574] w=0.4439 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)A144.CB) [> 4.4876 = 7.4794 < 9.7232] w=0.4433 to align # Constraint # added constraint: constraint((T0326)N42.CB, (T0326)Y71.CB) [> 3.4006 = 5.6677 < 7.3680] w=0.4369 to align # Constraint # added constraint: constraint((T0326)E51.CB, (T0326)T106.CB) [> 3.2855 = 5.4759 < 7.1186] w=0.4338 to align # Constraint # added constraint: constraint((T0326)A145.CB, (T0326)G233.CA) [> 4.5904 = 7.6507 < 9.9459] w=0.4245 to align # Constraint # added constraint: constraint((T0326)K169.CB, (T0326)S213.CB) [> 4.1420 = 6.9033 < 8.9743] w=0.4243 to align # Constraint # added constraint: constraint((T0326)A211.CB, (T0326)V231.CB) [> 4.2665 = 7.1108 < 9.2441] w=0.4243 to align # Constraint # added constraint: constraint((T0326)M128.CB, (T0326)Y151.CB) [> 2.8966 = 4.8276 < 6.2759] w=0.4150 to align # Constraint # added constraint: constraint((T0326)A108.CB, (T0326)A144.CB) [> 4.3301 = 7.2169 < 9.3820] w=0.4142 to align # Constraint # added constraint: constraint((T0326)H170.CB, (T0326)W187.CB) [> 4.3478 = 7.2463 < 9.4202] w=0.4142 to align # Constraint # added constraint: constraint((T0326)M128.CB, (T0326)A147.CB) [> 3.7219 = 6.2031 < 8.0640] w=0.4054 to align # Constraint # added constraint: constraint((T0326)L124.CB, (T0326)A147.CB) [> 3.4129 = 5.6882 < 7.3947] w=0.4054 to align # Constraint # added constraint: constraint((T0326)A188.CB, (T0326)P235.CB) [> 4.1676 = 6.9460 < 9.0297] w=0.4041 to align # Constraint # added constraint: constraint((T0326)H190.CB, (T0326)T232.CB) [> 3.9323 = 6.5539 < 8.5201] w=0.4035 to align # Constraint # added constraint: constraint((T0326)L39.CB, (T0326)V67.CB) [> 4.4886 = 7.4809 < 9.7252] w=0.3965 to align # Constraint # added constraint: constraint((T0326)K169.CB, (T0326)A188.CB) [> 4.5143 = 7.5238 < 9.7809] w=0.3942 to align # Constraint # added constraint: constraint((T0326)L55.CB, (T0326)V65.CB) [> 2.8965 = 4.8276 < 6.2758] w=0.3938 to align # Constraint # added constraint: constraint((T0326)V135.CB, (T0326)R227.CB) [> 3.7537 = 6.2562 < 8.1331] w=0.3936 to align # Constraint # added constraint: constraint((T0326)F100.CB, (T0326)S131.CB) [> 4.2234 = 7.0389 < 9.1506] w=0.3930 to align # Constraint # added constraint: constraint((T0326)L149.CB, (T0326)L207.CB) [> 4.2780 = 7.1300 < 9.2690] w=0.3842 to align # Constraint # added constraint: constraint((T0326)A173.CB, (T0326)E212.CB) [> 3.7439 = 6.2398 < 8.1118] w=0.3842 to align # Constraint # added constraint: constraint((T0326)K174.CB, (T0326)L210.CB) [> 3.4840 = 5.8067 < 7.5486] w=0.3841 to align # Constraint # added constraint: constraint((T0326)R132.CB, (T0326)E226.CB) [> 3.5427 = 5.9045 < 7.6758] w=0.3841 to align # Constraint # added constraint: constraint((T0326)T68.CB, (T0326)F100.CB) [> 4.3585 = 7.2641 < 9.4433] w=0.3833 to align # Constraint # added constraint: constraint((T0326)G102.CA, (T0326)S131.CB) [> 4.1389 = 6.8981 < 8.9676] w=0.3829 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)I127.CB) [> 4.2526 = 7.0876 < 9.2139] w=0.3740 to align # Constraint # added constraint: constraint((T0326)L178.CB, (T0326)I229.CB) [> 3.7105 = 6.1842 < 8.0394] w=0.3738 to align # Constraint # added constraint: constraint((T0326)L43.CB, (T0326)A108.CB) [> 2.4858 = 4.1430 < 5.3859] w=0.3735 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)L54.CB) [> 4.0943 = 6.8239 < 8.8710] w=0.3690 to align # Constraint # added constraint: constraint((T0326)E37.CB, (T0326)V67.CB) [> 4.4572 = 7.4287 < 9.6573] w=0.3667 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)I105.CB) [> 4.5637 = 7.6062 < 9.8880] w=0.3639 to align # Constraint # added constraint: constraint((T0326)S191.CB, (T0326)G233.CA) [> 4.1298 = 6.8830 < 8.9480] w=0.3636 to align # Constraint # added constraint: constraint((T0326)L210.CB, (T0326)I229.CB) [> 4.2816 = 7.1361 < 9.2769] w=0.3636 to align # Constraint # added constraint: constraint((T0326)V172.CB, (T0326)V220.CB) [> 4.3666 = 7.2777 < 9.4610] w=0.3631 to align # Constraint # added constraint: constraint((T0326)L149.CB, (T0326)V221.CB) [> 3.9341 = 6.5568 < 8.5239] w=0.3538 to align # Constraint # added constraint: constraint((T0326)T138.CB, (T0326)G148.CA) [> 4.5659 = 7.6098 < 9.8928] w=0.3538 to align # Constraint # added constraint: constraint((T0326)Q146.CB, (T0326)K157.CB) [> 3.2658 = 5.4430 < 7.0759] w=0.3538 to align # Constraint # added constraint: constraint((T0326)S191.CB, (T0326)H234.CB) [> 3.3869 = 5.6448 < 7.3383] w=0.3535 to align # Constraint # added constraint: constraint((T0326)T194.CB, (T0326)T232.CB) [> 3.8361 = 6.3935 < 8.3116] w=0.3529 to align # Constraint # added constraint: constraint((T0326)V221.CB, (T0326)V231.CB) [> 4.0114 = 6.6856 < 8.6913] w=0.3523 to align # Constraint # added constraint: constraint((T0326)E129.CB, (T0326)Y151.CB) [> 3.3799 = 5.6331 < 7.3231] w=0.3448 to align # Constraint # added constraint: constraint((T0326)M44.CB, (T0326)A108.CB) [> 3.2453 = 5.4088 < 7.0315] w=0.3437 to align # Constraint # added constraint: constraint((T0326)E206.CB, (T0326)N223.CB) [> 3.5479 = 5.9132 < 7.6871] w=0.3437 to align # Constraint # added constraint: constraint((T0326)W121.CB, (T0326)A147.CB) [> 3.8621 = 6.4368 < 8.3679] w=0.3434 to align # Constraint # added constraint: constraint((T0326)L54.CB, (T0326)I104.CB) [> 3.8598 = 6.4329 < 8.3628] w=0.3432 to align # Constraint # added constraint: constraint((T0326)I105.CB, (T0326)W143.CB) [> 4.4057 = 7.3428 < 9.5456] w=0.3336 to align # Constraint # added constraint: constraint((T0326)L36.CB, (T0326)G102.CA) [> 4.4447 = 7.4078 < 9.6302] w=0.3335 to align # Constraint # added constraint: constraint((T0326)R192.CB, (T0326)T232.CB) [> 4.0402 = 6.7337 < 8.7538] w=0.3333 to align # Constraint # added constraint: constraint((T0326)V135.CB, (T0326)S225.CB) [> 3.4370 = 5.7283 < 7.4467] w=0.3329 to align # Constraint # added constraint: constraint((T0326)P189.CB, (T0326)G233.CA) [> 3.9081 = 6.5135 < 8.4676] w=0.3327 to align # Constraint # added constraint: constraint((T0326)A188.CB, (T0326)Y219.CB) [> 4.2895 = 7.1492 < 9.2939] w=0.3247 to align # Constraint # added constraint: constraint((T0326)T72.CB, (T0326)I82.CB) [> 3.1816 = 5.3026 < 6.8934] w=0.3239 to align # Constraint # added constraint: constraint((T0326)R171.CB, (T0326)D184.CB) [> 3.9545 = 6.5909 < 8.5681] w=0.3235 to align # Constraint # added constraint: constraint((T0326)M139.CB, (T0326)W287.CB) [> 3.2527 = 5.4212 < 7.0476] w=0.3232 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)L58.CB) [> 3.3898 = 5.6497 < 7.3446] w=0.3230 to align # Constraint # added constraint: constraint((T0326)M44.CB, (T0326)T106.CB) [> 4.0864 = 6.8107 < 8.8539] w=0.3229 to align # Constraint # added constraint: constraint((T0326)G107.CA, (T0326)F140.CB) [> 4.4792 = 7.4653 < 9.7049] w=0.3227 to align # Constraint # added constraint: constraint((T0326)F92.CB, (T0326)W130.CB) [> 2.9594 = 4.9324 < 6.4121] w=0.3144 to align # Constraint # added constraint: constraint((T0326)V172.CB, (T0326)F186.CB) [> 3.8294 = 6.3823 < 8.2970] w=0.3134 to align # Constraint # added constraint: constraint((T0326)V204.CB, (T0326)V221.CB) [> 3.9694 = 6.6156 < 8.6003] w=0.3134 to align # Constraint # added constraint: constraint((T0326)F115.CB, (T0326)Q146.CB) [> 3.5244 = 5.8741 < 7.6363] w=0.3133 to align # Constraint # added constraint: constraint((T0326)G166.CA, (T0326)P189.CB) [> 3.7734 = 6.2890 < 8.1757] w=0.3128 to align # Constraint # added constraint: constraint((T0326)V110.CB, (T0326)W143.CB) [> 4.1463 = 6.9105 < 8.9837] w=0.3128 to align # Constraint # added constraint: constraint((T0326)L54.CB, (T0326)P235.CB) [> 4.4132 = 7.3554 < 9.5620] w=0.3128 to align # Constraint # added constraint: constraint((T0326)I52.CB, (T0326)V67.CB) [> 3.2801 = 5.4669 < 7.1069] w=0.3127 to align # Constraint # added constraint: constraint((T0326)L43.CB, (T0326)T72.CB) [> 3.5536 = 5.9227 < 7.6996] w=0.3102 to align # Constraint # added constraint: constraint((T0326)T125.CB, (T0326)G148.CA) [> 4.4081 = 7.3469 < 9.5509] w=0.3043 to align # Constraint # added constraint: constraint((T0326)Q146.CB, (T0326)F230.CB) [> 4.6533 = 7.7554 < 10.0821] w=0.3032 to align # Constraint # added constraint: constraint((T0326)R192.CB, (T0326)G233.CA) [> 3.7466 = 6.2444 < 8.1177] w=0.3030 to align # Constraint # added constraint: constraint((T0326)Q146.CB, (T0326)V196.CB) [> 3.7803 = 6.3005 < 8.1906] w=0.3030 to align # Constraint # added constraint: constraint((T0326)I229.CB, (T0326)W287.CB) [> 3.9717 = 6.6195 < 8.6054] w=0.3030 to align # Constraint # added constraint: constraint((T0326)Y193.CB, (T0326)G233.CA) [> 4.0144 = 6.6907 < 8.6979] w=0.3030 to align # Constraint # added constraint: constraint((T0326)L54.CB, (T0326)T106.CB) [> 3.9875 = 6.6458 < 8.6396] w=0.3028 to align # Constraint # added constraint: constraint((T0326)E51.CB, (T0326)E236.CB) [> 2.9633 = 4.9389 < 6.4206] w=0.3027 to align # Constraint # added constraint: constraint((T0326)Q146.CB, (T0326)T194.CB) [> 3.8837 = 6.4728 < 8.4147] w=0.3027 to align # Constraint # added constraint: constraint((T0326)P189.CB, (T0326)H234.CB) [> 3.2315 = 5.3859 < 7.0017] w=0.3027 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)I52.CB) [> 3.5892 = 5.9821 < 7.7767] w=0.3026 to align # Constraint # added constraint: constraint((T0326)L57.CB, (T0326)R243.CB) [> 3.5873 = 5.9788 < 7.7725] w=0.3022 to align # Constraint # added constraint: constraint((T0326)R132.CB, (T0326)F152.CB) [> 4.1536 = 6.9226 < 8.9994] w=0.2987 to align # Constraint # added constraint: constraint((T0326)L36.CB, (T0326)V65.CB) [> 3.0927 = 5.1545 < 6.7008] w=0.2939 to align # Constraint # added constraint: constraint((T0326)L149.CB, (T0326)V204.CB) [> 3.9655 = 6.6093 < 8.5920] w=0.2932 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)T72.CB) [> 3.7348 = 6.2247 < 8.0921] w=0.2932 to align # Constraint # added constraint: constraint((T0326)V196.CB, (T0326)T232.CB) [> 4.0227 = 6.7045 < 8.7159] w=0.2932 to align # Constraint # added constraint: constraint((T0326)I201.CB, (T0326)V218.CB) [> 3.2650 = 5.4417 < 7.0742] w=0.2929 to align # Constraint # added constraint: constraint((T0326)L164.CB, (T0326)R192.CB) [> 3.4638 = 5.7730 < 7.5049] w=0.2929 to align # Constraint # added constraint: constraint((T0326)G166.CA, (T0326)S191.CB) [> 3.7290 = 6.2150 < 8.0795] w=0.2929 to align # Constraint # added constraint: constraint((T0326)M44.CB, (T0326)P109.CB) [> 3.7519 = 6.2531 < 8.1291] w=0.2929 to align # Constraint # added constraint: constraint((T0326)V220.CB, (T0326)G233.CA) [> 4.1572 = 6.9287 < 9.0074] w=0.2927 to align # Constraint # added constraint: constraint((T0326)L36.CB, (T0326)N66.CB) [> 4.1269 = 6.8782 < 8.9417] w=0.2838 to align # Constraint # added constraint: constraint((T0326)L178.CB, (T0326)L210.CB) [> 3.9824 = 6.6373 < 8.6285] w=0.2830 to align # Constraint # added constraint: constraint((T0326)T138.CB, (T0326)E226.CB) [> 4.4386 = 7.3977 < 9.6170] w=0.2830 to align # Constraint # added constraint: constraint((T0326)L164.CB, (T0326)Y193.CB) [> 4.3581 = 7.2635 < 9.4426] w=0.2828 to align # Constraint # added constraint: constraint((T0326)S137.CB, (T0326)W287.CB) [> 3.7399 = 6.2331 < 8.1031] w=0.2827 to align # Constraint # added constraint: constraint((T0326)I209.CB, (T0326)Y219.CB) [> 3.8310 = 6.3851 < 8.3006] w=0.2824 to align # Constraint # added constraint: constraint((T0326)F92.CB, (T0326)E123.CB) [> 2.9790 = 4.9649 < 6.4544] w=0.2823 to align # Constraint # added constraint: constraint((T0326)L70.CB, (T0326)V95.CB) [> 3.5996 = 5.9993 < 7.7991] w=0.2782 to align # Constraint # added constraint: constraint((T0326)D97.CB, (T0326)W130.CB) [> 3.1727 = 5.2878 < 6.8741] w=0.2778 to align # Constraint # added constraint: constraint((T0326)F152.CB, (T0326)N223.CB) [> 4.0557 = 6.7595 < 8.7874] w=0.2740 to align # Constraint # added constraint: constraint((T0326)L178.CB, (T0326)A222.CB) [> 4.0108 = 6.6847 < 8.6901] w=0.2730 to align # Constraint # added constraint: constraint((T0326)F152.CB, (T0326)Q228.CB) [> 4.4481 = 7.4135 < 9.6376] w=0.2729 to align # Constraint # added constraint: constraint((T0326)A211.CB, (T0326)T232.CB) [> 4.5538 = 7.5897 < 9.8666] w=0.2726 to align # Constraint # added constraint: constraint((T0326)K47.CB, (T0326)G107.CA) [> 4.0424 = 6.7373 < 8.7585] w=0.2724 to align # Constraint # added constraint: constraint((T0326)L164.CB, (T0326)S191.CB) [> 3.9379 = 6.5632 < 8.5322] w=0.2724 to align # Constraint # added constraint: constraint((T0326)T50.CB, (T0326)Y237.CB) [> 3.9204 = 6.5340 < 8.4942] w=0.2724 to align # Constraint # added constraint: constraint((T0326)W187.CB, (T0326)D238.CB) [> 3.5990 = 5.9984 < 7.7979] w=0.2721 to align # Constraint # added constraint: constraint((T0326)S137.CB, (T0326)D249.CB) [> 3.3771 = 5.6285 < 7.3171] w=0.2720 to align # Constraint # added constraint: constraint((T0326)K157.CB, (T0326)V196.CB) [> 3.6355 = 6.0591 < 7.8769] w=0.2635 to align # Constraint # added constraint: constraint((T0326)L207.CB, (T0326)K224.CB) [> 4.0718 = 6.7863 < 8.8221] w=0.2628 to align # Constraint # added constraint: constraint((T0326)V95.CB, (T0326)S131.CB) [> 4.1819 = 6.9698 < 9.0607] w=0.2628 to align # Constraint # added constraint: constraint((T0326)F179.CB, (T0326)A211.CB) [> 3.8169 = 6.3615 < 8.2699] w=0.2628 to align # Constraint # added constraint: constraint((T0326)S137.CB, (T0326)C291.CB) [> 2.8398 = 4.7329 < 6.1528] w=0.2628 to align # Constraint # added constraint: constraint((T0326)E236.CB, (T0326)F284.CB) [> 4.5414 = 7.5690 < 9.8397] w=0.2626 to align # Constraint # added constraint: constraint((T0326)P235.CB, (T0326)F284.CB) [> 3.7199 = 6.1998 < 8.0598] w=0.2626 to align # Constraint # added constraint: constraint((T0326)P235.CB, (T0326)F283.CB) [> 2.9134 = 4.8557 < 6.3124] w=0.2626 to align # Constraint # added constraint: constraint((T0326)S191.CB, (T0326)Y237.CB) [> 3.3584 = 5.5973 < 7.2765] w=0.2624 to align # Constraint # added constraint: constraint((T0326)F186.CB, (T0326)L242.CB) [> 3.5003 = 5.8338 < 7.5839] w=0.2622 to align # Constraint # added constraint: constraint((T0326)P189.CB, (T0326)Y237.CB) [> 3.4097 = 5.6828 < 7.3876] w=0.2621 to align # Constraint # added constraint: constraint((T0326)G102.CA, (T0326)C291.CB) [> 3.4116 = 5.6860 < 7.3918] w=0.2593 to align # Constraint # added constraint: constraint((T0326)I85.CB, (T0326)V95.CB) [> 3.5641 = 5.9401 < 7.7221] w=0.2580 to align # Constraint # added constraint: constraint((T0326)L43.CB, (T0326)Y71.CB) [> 4.1687 = 6.9478 < 9.0322] w=0.2549 to align # Constraint # added constraint: constraint((T0326)I52.CB, (T0326)L69.CB) [> 3.8054 = 6.3423 < 8.2450] w=0.2532 to align # Constraint # added constraint: constraint((T0326)N42.CB, (T0326)T72.CB) [> 3.7858 = 6.3097 < 8.2025] w=0.2527 to align # Constraint # added constraint: constraint((T0326)R56.CB, (T0326)V65.CB) [> 3.9068 = 6.5114 < 8.4648] w=0.2526 to align # Constraint # added constraint: constraint((T0326)A188.CB, (T0326)V231.CB) [> 4.4608 = 7.4347 < 9.6651] w=0.2524 to align # Constraint # added constraint: constraint((T0326)V231.CB, (T0326)F283.CB) [> 3.9018 = 6.5031 < 8.4540] w=0.2524 to align # Constraint # added constraint: constraint((T0326)S137.CB, (T0326)Y290.CB) [> 3.0409 = 5.0682 < 6.5886] w=0.2523 to align # Constraint # added constraint: constraint((T0326)V172.CB, (T0326)D183.CB) [> 4.1501 = 6.9167 < 8.9918] w=0.2521 to align # Constraint # added constraint: constraint((T0326)T72.CB, (T0326)L124.CB) [> 3.7313 = 6.2188 < 8.0844] w=0.2521 to align # Constraint # added constraint: constraint((T0326)E83.CB, (T0326)F100.CB) [> 4.3512 = 7.2520 < 9.4277] w=0.2521 to align # Constraint # added constraint: constraint((T0326)L54.CB, (T0326)Y246.CB) [> 3.5702 = 5.9503 < 7.7355] w=0.2517 to align # Constraint # added constraint: constraint((T0326)L58.CB, (T0326)Y246.CB) [> 3.6816 = 6.1361 < 7.9769] w=0.2515 to align # Constraint # added constraint: constraint((T0326)T61.CB, (T0326)I85.CB) [> 3.5822 = 5.9703 < 7.7615] w=0.2489 to align # Constraint # added constraint: constraint((T0326)N60.CB, (T0326)I85.CB) [> 3.9677 = 6.6129 < 8.5968] w=0.2479 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)L58.CB) [> 4.4454 = 7.4090 < 9.6317] w=0.2432 to align # Constraint # added constraint: constraint((T0326)F115.CB, (T0326)W143.CB) [> 3.7137 = 6.1896 < 8.0465] w=0.2425 to align # Constraint # added constraint: constraint((T0326)L58.CB, (T0326)G102.CA) [> 3.3342 = 5.5570 < 7.2240] w=0.2423 to align # Constraint # added constraint: constraint((T0326)N60.CB, (T0326)I104.CB) [> 3.0986 = 5.1643 < 6.7136] w=0.2423 to align # Constraint # added constraint: constraint((T0326)L124.CB, (T0326)Y151.CB) [> 4.3946 = 7.3243 < 9.5216] w=0.2420 to align # Constraint # added constraint: constraint((T0326)D101.CB, (T0326)C291.CB) [> 3.0955 = 5.1592 < 6.7070] w=0.2391 to align # Constraint # added constraint: constraint((T0326)L70.CB, (T0326)A94.CB) [> 4.1930 = 6.9884 < 9.0850] w=0.2379 to align # Constraint # added constraint: constraint((T0326)Y168.CB, (T0326)Y219.CB) [> 4.4826 = 7.4711 < 9.7124] w=0.2347 to align # Constraint # added constraint: constraint((T0326)F115.CB, (T0326)A147.CB) [> 3.1769 = 5.2948 < 6.8833] w=0.2325 to align # Constraint # added constraint: constraint((T0326)L43.CB, (T0326)I105.CB) [> 4.1186 = 6.8643 < 8.9236] w=0.2325 to align # Constraint # added constraint: constraint((T0326)S131.CB, (T0326)Q228.CB) [> 4.4547 = 7.4245 < 9.6519] w=0.2325 to align # Constraint # added constraint: constraint((T0326)H190.CB, (T0326)H234.CB) [> 4.2191 = 7.0318 < 9.1414] w=0.2325 to align # Constraint # added constraint: constraint((T0326)H170.CB, (T0326)G233.CA) [> 4.4596 = 7.4327 < 9.6625] w=0.2325 to align # Constraint # added constraint: constraint((T0326)L210.CB, (T0326)V231.CB) [> 4.5231 = 7.5385 < 9.8001] w=0.2325 to align # Constraint # added constraint: constraint((T0326)K197.CB, (T0326)V218.CB) [> 3.8786 = 6.4643 < 8.4036] w=0.2322 to align # Constraint # added constraint: constraint((T0326)T194.CB, (T0326)G233.CA) [> 3.8580 = 6.4300 < 8.3590] w=0.2322 to align # Constraint # added constraint: constraint((T0326)L58.CB, (T0326)F103.CB) [> 4.0441 = 6.7402 < 8.7622] w=0.2322 to align # Constraint # added constraint: constraint((T0326)P35.CB, (T0326)N66.CB) [> 4.0599 = 6.7664 < 8.7964] w=0.2322 to align # Constraint # added constraint: constraint((T0326)W187.CB, (T0326)R239.CB) [> 4.4208 = 7.3679 < 9.5783] w=0.2320 to align # Constraint # added constraint: constraint((T0326)P45.CB, (T0326)P109.CB) [> 3.8550 = 6.4250 < 8.3525] w=0.2319 to align # Constraint # added constraint: constraint((T0326)P235.CB, (T0326)Y246.CB) [> 3.0385 = 5.0641 < 6.5834] w=0.2319 to align # Constraint # added constraint: constraint((T0326)T72.CB, (T0326)H84.CB) [> 3.9263 = 6.5439 < 8.5071] w=0.2300 to align # Constraint # added constraint: constraint((T0326)A108.CB, (T0326)V118.CB) [> 3.9287 = 6.5478 < 8.5121] w=0.2290 to align # Constraint # added constraint: constraint((T0326)L58.CB, (T0326)I82.CB) [> 3.3407 = 5.5678 < 7.2381] w=0.2287 to align # Constraint # added constraint: constraint((T0326)R98.CB, (T0326)N134.CB) [> 4.2399 = 7.0665 < 9.1864] w=0.2283 to align # Constraint # added constraint: constraint((T0326)V204.CB, (T0326)V218.CB) [> 4.0155 = 6.6925 < 8.7003] w=0.2234 to align # Constraint # added constraint: constraint((T0326)L36.CB, (T0326)Q64.CB) [> 4.0267 = 6.7111 < 8.7245] w=0.2231 to align # Constraint # added constraint: constraint((T0326)L149.CB, (T0326)V196.CB) [> 3.5321 = 5.8868 < 7.6529] w=0.2224 to align # Constraint # added constraint: constraint((T0326)V118.CB, (T0326)A147.CB) [> 3.6307 = 6.0512 < 7.8665] w=0.2221 to align # Constraint # added constraint: constraint((T0326)Y193.CB, (T0326)H234.CB) [> 3.5709 = 5.9516 < 7.7370] w=0.2221 to align # Constraint # added constraint: constraint((T0326)L57.CB, (T0326)G102.CA) [> 4.1257 = 6.8762 < 8.9390] w=0.2221 to align # Constraint # added constraint: constraint((T0326)H182.CB, (T0326)L282.CB) [> 3.7528 = 6.2546 < 8.1310] w=0.2221 to align # Constraint # added constraint: constraint((T0326)K157.CB, (T0326)K197.CB) [> 3.8694 = 6.4490 < 8.3837] w=0.2221 to align # Constraint # added constraint: constraint((T0326)Y193.CB, (T0326)T232.CB) [> 3.5595 = 5.9325 < 7.7123] w=0.2218 to align # Constraint # added constraint: constraint((T0326)Y193.CB, (T0326)V218.CB) [> 3.4205 = 5.7009 < 7.4111] w=0.2218 to align # Constraint # added constraint: constraint((T0326)L43.CB, (T0326)V118.CB) [> 3.7132 = 6.1887 < 8.0453] w=0.2216 to align # Constraint # added constraint: constraint((T0326)L54.CB, (T0326)L242.CB) [> 3.8636 = 6.4393 < 8.3711] w=0.2212 to align # Constraint # added constraint: constraint((T0326)K96.CB, (T0326)N134.CB) [> 4.3403 = 7.2339 < 9.4040] w=0.2178 to align # Constraint # added constraint: constraint((T0326)F179.CB, (T0326)V220.CB) [> 4.3941 = 7.3236 < 9.5206] w=0.2153 to align # Constraint # added constraint: constraint((T0326)Y168.CB, (T0326)G233.CA) [> 4.4864 = 7.4773 < 9.7204] w=0.2123 to align # Constraint # added constraint: constraint((T0326)G217.CA, (T0326)T232.CB) [> 4.3882 = 7.3137 < 9.5078] w=0.2123 to align # Constraint # added constraint: constraint((T0326)S137.CB, (T0326)I250.CB) [> 3.7227 = 6.2045 < 8.0659] w=0.2123 to align # Constraint # added constraint: constraint((T0326)L112.CB, (T0326)A147.CB) [> 3.2423 = 5.4038 < 7.0250] w=0.2120 to align # Constraint # added constraint: constraint((T0326)L70.CB, (T0326)E236.CB) [> 2.6646 = 4.4410 < 5.7733] w=0.2120 to align # Constraint # added constraint: constraint((T0326)M139.CB, (T0326)Y246.CB) [> 3.5205 = 5.8676 < 7.6278] w=0.2120 to align # Constraint # added constraint: constraint((T0326)E51.CB, (T0326)I141.CB) [> 4.2001 = 7.0002 < 9.1003] w=0.2117 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)I250.CB) [> 4.1928 = 6.9879 < 9.0843] w=0.2117 to align # Constraint # added constraint: constraint((T0326)W187.CB, (T0326)G233.CA) [> 3.7823 = 6.3039 < 8.1950] w=0.2115 to align # Constraint # added constraint: constraint((T0326)V221.CB, (T0326)T232.CB) [> 4.2107 = 7.0178 < 9.1231] w=0.2108 to align # Constraint # added constraint: constraint((T0326)I48.CB, (T0326)L69.CB) [> 4.0899 = 6.8165 < 8.8615] w=0.2098 to align # Constraint # added constraint: constraint((T0326)G166.CA, (T0326)H190.CB) [> 3.6754 = 6.1257 < 7.9634] w=0.2078 to align # Constraint # added constraint: constraint((T0326)S165.CB, (T0326)P189.CB) [> 3.7812 = 6.3019 < 8.1925] w=0.2072 to align # Constraint # added constraint: constraint((T0326)L39.CB, (T0326)L69.CB) [> 4.5723 = 7.6205 < 9.9066] w=0.2047 to align # Constraint # added constraint: constraint((T0326)G166.CA, (T0326)R239.CB) [> 4.1603 = 6.9338 < 9.0139] w=0.2022 to align # Constraint # added constraint: constraint((T0326)G107.CA, (T0326)H234.CB) [> 4.6142 = 7.6903 < 9.9974] w=0.2022 to align # Constraint # added constraint: constraint((T0326)Y168.CB, (T0326)P189.CB) [> 4.4834 = 7.4724 < 9.7141] w=0.2022 to align # Constraint # added constraint: constraint((T0326)R227.CB, (T0326)Y290.CB) [> 3.5754 = 5.9590 < 7.7467] w=0.2022 to align # Constraint # added constraint: constraint((T0326)G154.CA, (T0326)V204.CB) [> 3.8133 = 6.3554 < 8.2621] w=0.2020 to align # Constraint # added constraint: constraint((T0326)Y158.CB, (T0326)V196.CB) [> 4.1083 = 6.8473 < 8.9014] w=0.2019 to align # Constraint # added constraint: constraint((T0326)S165.CB, (T0326)R192.CB) [> 3.9497 = 6.5828 < 8.5577] w=0.2019 to align # Constraint # added constraint: constraint((T0326)L70.CB, (T0326)T90.CB) [> 2.9497 = 4.9161 < 6.3909] w=0.2019 to align # Constraint # added constraint: constraint((T0326)Y71.CB, (T0326)T106.CB) [> 4.0071 = 6.6785 < 8.6820] w=0.2019 to align # Constraint # added constraint: constraint((T0326)L43.CB, (T0326)Y120.CB) [> 3.4190 = 5.6983 < 7.4078] w=0.2016 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)Y71.CB) [> 4.4295 = 7.3824 < 9.5972] w=0.1994 to align # Constraint # added constraint: constraint((T0326)L57.CB, (T0326)I82.CB) [> 3.9125 = 6.5208 < 8.4770] w=0.1984 to align # Constraint # added constraint: constraint((T0326)I85.CB, (T0326)A94.CB) [> 3.8125 = 6.3542 < 8.2604] w=0.1975 to align # Constraint # added constraint: constraint((T0326)L58.CB, (T0326)V67.CB) [> 3.5522 = 5.9203 < 7.6964] w=0.1929 to align # Constraint # added constraint: constraint((T0326)L149.CB, (T0326)I201.CB) [> 3.3279 = 5.5464 < 7.2104] w=0.1921 to align # Constraint # added constraint: constraint((T0326)V167.CB, (T0326)R239.CB) [> 3.5645 = 5.9408 < 7.7230] w=0.1921 to align # Constraint # added constraint: constraint((T0326)A145.CB, (T0326)V196.CB) [> 4.4640 = 7.4399 < 9.6719] w=0.1921 to align # Constraint # added constraint: constraint((T0326)L160.CB, (T0326)E195.CB) [> 3.4228 = 5.7046 < 7.4160] w=0.1921 to align # Constraint # added constraint: constraint((T0326)A188.CB, (T0326)Y237.CB) [> 4.2619 = 7.1031 < 9.2341] w=0.1921 to align # Constraint # added constraint: constraint((T0326)L178.CB, (T0326)F283.CB) [> 4.1814 = 6.9689 < 9.0596] w=0.1921 to align # Constraint # added constraint: constraint((T0326)N42.CB, (T0326)I105.CB) [> 4.3085 = 7.1809 < 9.3351] w=0.1920 to align # Constraint # added constraint: constraint((T0326)L112.CB, (T0326)Q146.CB) [> 2.6542 = 4.4236 < 5.7507] w=0.1918 to align # Constraint # added constraint: constraint((T0326)Y158.CB, (T0326)K197.CB) [> 3.6335 = 6.0558 < 7.8725] w=0.1918 to align # Constraint # added constraint: constraint((T0326)T72.CB, (T0326)W121.CB) [> 4.1110 = 6.8516 < 8.9071] w=0.1918 to align # Constraint # added constraint: constraint((T0326)L43.CB, (T0326)V110.CB) [> 3.1436 = 5.2394 < 6.8112] w=0.1917 to align # Constraint # added constraint: constraint((T0326)V196.CB, (T0326)V221.CB) [> 4.1107 = 6.8511 < 8.9064] w=0.1915 to align # Constraint # added constraint: constraint((T0326)I48.CB, (T0326)G107.CA) [> 3.8489 = 6.4148 < 8.3393] w=0.1915 to align # Constraint # added constraint: constraint((T0326)P62.CB, (T0326)I85.CB) [> 3.9112 = 6.5187 < 8.4744] w=0.1885 to align # Constraint # added constraint: constraint((T0326)G166.CA, (T0326)W187.CB) [> 3.8255 = 6.3758 < 8.2885] w=0.1869 to align # Constraint # added constraint: constraint((T0326)L112.CB, (T0326)Y150.CB) [> 3.3216 = 5.5359 < 7.1967] w=0.1820 to align # Constraint # added constraint: constraint((T0326)E111.CB, (T0326)K157.CB) [> 4.3777 = 7.2962 < 9.4851] w=0.1820 to align # Constraint # added constraint: constraint((T0326)L57.CB, (T0326)E236.CB) [> 2.9756 = 4.9594 < 6.4472] w=0.1820 to align # Constraint # added constraint: constraint((T0326)K157.CB, (T0326)D200.CB) [> 3.8468 = 6.4113 < 8.3347] w=0.1820 to align # Constraint # added constraint: constraint((T0326)I104.CB, (T0326)W287.CB) [> 4.4170 = 7.3616 < 9.5701] w=0.1819 to align # Constraint # added constraint: constraint((T0326)N42.CB, (T0326)A108.CB) [> 4.2119 = 7.0198 < 9.1257] w=0.1819 to align # Constraint # added constraint: constraint((T0326)Y71.CB, (T0326)E236.CB) [> 2.7849 = 4.6415 < 6.0339] w=0.1817 to align # Constraint # added constraint: constraint((T0326)C142.CB, (T0326)Y193.CB) [> 4.0276 = 6.7126 < 8.7264] w=0.1817 to align # Constraint # added constraint: constraint((T0326)C142.CB, (T0326)T194.CB) [> 3.7304 = 6.2174 < 8.0826] w=0.1817 to align # Constraint # added constraint: constraint((T0326)H75.CB, (T0326)I104.CB) [> 4.4100 = 7.3499 < 9.5549] w=0.1817 to align # Constraint # added constraint: constraint((T0326)S165.CB, (T0326)Y193.CB) [> 3.7292 = 6.2153 < 8.0799] w=0.1817 to align # Constraint # added constraint: constraint((T0326)V196.CB, (T0326)I209.CB) [> 4.0160 = 6.6933 < 8.7013] w=0.1817 to align # Constraint # added constraint: constraint((T0326)M44.CB, (T0326)T72.CB) [> 4.0911 = 6.8184 < 8.8639] w=0.1816 to align # Constraint # added constraint: constraint((T0326)T106.CB, (T0326)F140.CB) [> 4.5945 = 7.6575 < 9.9548] w=0.1815 to align # Constraint # added constraint: constraint((T0326)L55.CB, (T0326)I104.CB) [> 4.3723 = 7.2872 < 9.4733] w=0.1812 to align # Constraint # added constraint: constraint((T0326)F186.CB, (T0326)D238.CB) [> 3.5859 = 5.9765 < 7.7694] w=0.1811 to align # Constraint # added constraint: constraint((T0326)G166.CA, (T0326)A188.CB) [> 3.5893 = 5.9822 < 7.7768] w=0.1768 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)L69.CB) [> 4.3788 = 7.2980 < 9.4874] w=0.1746 to align # Constraint # added constraint: constraint((T0326)L39.CB, (T0326)N66.CB) [> 3.4464 = 5.7440 < 7.4671] w=0.1735 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)T68.CB) [> 3.5392 = 5.8987 < 7.6683] w=0.1735 to align # Constraint # added constraint: constraint((T0326)L58.CB, (T0326)H75.CB) [> 3.3341 = 5.5568 < 7.2238] w=0.1728 to align # Constraint # added constraint: constraint((T0326)L58.CB, (T0326)F284.CB) [> 3.7402 = 6.2337 < 8.1038] w=0.1719 to align # Constraint # added constraint: constraint((T0326)S165.CB, (T0326)S191.CB) [> 3.6097 = 6.0162 < 7.8210] w=0.1719 to align # Constraint # added constraint: constraint((T0326)V167.CB, (T0326)P189.CB) [> 3.5359 = 5.8932 < 7.6612] w=0.1719 to align # Constraint # added constraint: constraint((T0326)L43.CB, (T0326)W143.CB) [> 3.3891 = 5.6485 < 7.3431] w=0.1719 to align # Constraint # added constraint: constraint((T0326)K163.CB, (T0326)R192.CB) [> 3.8689 = 6.4482 < 8.3827] w=0.1719 to align # Constraint # added constraint: constraint((T0326)Q53.CB, (T0326)Y237.CB) [> 4.0420 = 6.7366 < 8.7576] w=0.1719 to align # Constraint # added constraint: constraint((T0326)T74.CB, (T0326)E236.CB) [> 3.0213 = 5.0355 < 6.5462] w=0.1719 to align # Constraint # added constraint: constraint((T0326)V177.CB, (T0326)N286.CB) [> 4.1826 = 6.9710 < 9.0623] w=0.1718 to align # Constraint # added constraint: constraint((T0326)M139.CB, (T0326)F283.CB) [> 3.8236 = 6.3726 < 8.2844] w=0.1718 to align # Constraint # added constraint: constraint((T0326)P235.CB, (T0326)A280.CB) [> 2.6440 = 4.4067 < 5.7288] w=0.1716 to align # Constraint # added constraint: constraint((T0326)R192.CB, (T0326)H234.CB) [> 4.3200 = 7.2000 < 9.3600] w=0.1716 to align # Constraint # added constraint: constraint((T0326)L63.CB, (T0326)A108.CB) [> 2.6357 = 4.3929 < 5.7108] w=0.1716 to align # Constraint # added constraint: constraint((T0326)L36.CB, (T0326)L63.CB) [> 3.2348 = 5.3913 < 7.0087] w=0.1715 to align # Constraint # added constraint: constraint((T0326)N42.CB, (T0326)T68.CB) [> 3.9152 = 6.5253 < 8.4829] w=0.1715 to align # Constraint # added constraint: constraint((T0326)W187.CB, (T0326)L242.CB) [> 4.3608 = 7.2680 < 9.4485] w=0.1713 to align # Constraint # added constraint: constraint((T0326)T50.CB, (T0326)H234.CB) [> 4.3701 = 7.2834 < 9.4684] w=0.1713 to align # Constraint # added constraint: constraint((T0326)V135.CB, (T0326)K224.CB) [> 4.0487 = 6.7478 < 8.7721] w=0.1713 to align # Constraint # added constraint: constraint((T0326)T138.CB, (T0326)F230.CB) [> 4.0905 = 6.8174 < 8.8627] w=0.1712 to align # Constraint # added constraint: constraint((T0326)A188.CB, (T0326)T232.CB) [> 3.7101 = 6.1835 < 8.0386] w=0.1708 to align # Constraint # added constraint: constraint((T0326)I141.CB, (T0326)T232.CB) [> 3.8220 = 6.3700 < 8.2810] w=0.1707 to align # Constraint # added constraint: constraint((T0326)L70.CB, (T0326)F92.CB) [> 3.5373 = 5.8955 < 7.6642] w=0.1670 to align # Constraint # added constraint: constraint((T0326)L112.CB, (T0326)W121.CB) [> 3.5794 = 5.9656 < 7.7553] w=0.1638 to align # Constraint # added constraint: constraint((T0326)A188.CB, (T0326)A211.CB) [> 4.4804 = 7.4673 < 9.7074] w=0.1638 to align # Constraint # added constraint: constraint((T0326)S176.CB, (T0326)A222.CB) [> 3.2387 = 5.3979 < 7.0173] w=0.1618 to align # Constraint # added constraint: constraint((T0326)Q146.CB, (T0326)I201.CB) [> 3.5090 = 5.8484 < 7.6029] w=0.1618 to align # Constraint # added constraint: constraint((T0326)S165.CB, (T0326)H190.CB) [> 3.7078 = 6.1797 < 8.0336] w=0.1618 to align # Constraint # added constraint: constraint((T0326)C142.CB, (T0326)R192.CB) [> 3.7355 = 6.2258 < 8.0935] w=0.1617 to align # Constraint # added constraint: constraint((T0326)A216.CB, (T0326)T232.CB) [> 4.1977 = 6.9962 < 9.0951] w=0.1617 to align # Constraint # added constraint: constraint((T0326)E195.CB, (T0326)G217.CA) [> 4.0603 = 6.7672 < 8.7974] w=0.1617 to align # Constraint # added constraint: constraint((T0326)T68.CB, (T0326)T106.CB) [> 3.4560 = 5.7600 < 7.4880] w=0.1617 to align # Constraint # added constraint: constraint((T0326)G166.CA, (T0326)R192.CB) [> 3.6349 = 6.0581 < 7.8755] w=0.1615 to align # Constraint # added constraint: constraint((T0326)L164.CB, (T0326)T194.CB) [> 3.6232 = 6.0387 < 7.8503] w=0.1615 to align # Constraint # added constraint: constraint((T0326)Q64.CB, (T0326)P109.CB) [> 3.5693 = 5.9488 < 7.7335] w=0.1614 to align # Constraint # added constraint: constraint((T0326)K163.CB, (T0326)Y193.CB) [> 3.5889 = 5.9815 < 7.7759] w=0.1614 to align # Constraint # added constraint: constraint((T0326)H182.CB, (T0326)F283.CB) [> 3.8869 = 6.4781 < 8.4215] w=0.1614 to align # Constraint # added constraint: constraint((T0326)M139.CB, (T0326)L242.CB) [> 3.9911 = 6.6518 < 8.6473] w=0.1614 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)N66.CB) [> 4.0712 = 6.7853 < 8.8209] w=0.1614 to align # Constraint # added constraint: constraint((T0326)N42.CB, (T0326)V67.CB) [> 3.6817 = 6.1362 < 7.9771] w=0.1614 to align # Constraint # added constraint: constraint((T0326)W187.CB, (T0326)Y237.CB) [> 3.1560 = 5.2600 < 6.8380] w=0.1609 to align # Constraint # added constraint: constraint((T0326)N42.CB, (T0326)G107.CA) [> 4.0752 = 6.7920 < 8.8296] w=0.1521 to align # Constraint # added constraint: constraint((T0326)F115.CB, (T0326)Y150.CB) [> 3.5424 = 5.9041 < 7.6753] w=0.1517 to align # Constraint # added constraint: constraint((T0326)E73.CB, (T0326)E236.CB) [> 4.4496 = 7.4160 < 9.6409] w=0.1516 to align # Constraint # added constraint: constraint((T0326)L178.CB, (T0326)V220.CB) [> 4.2294 = 7.0491 < 9.1638] w=0.1516 to align # Constraint # added constraint: constraint((T0326)L160.CB, (T0326)T194.CB) [> 3.9292 = 6.5486 < 8.5132] w=0.1516 to align # Constraint # added constraint: constraint((T0326)L58.CB, (T0326)L288.CB) [> 3.9472 = 6.5786 < 8.5522] w=0.1516 to align # Constraint # added constraint: constraint((T0326)V218.CB, (T0326)V231.CB) [> 3.5102 = 5.8503 < 7.6054] w=0.1516 to align # Constraint # added constraint: constraint((T0326)C142.CB, (T0326)S191.CB) [> 4.2136 = 7.0227 < 9.1296] w=0.1515 to align # Constraint # added constraint: constraint((T0326)Y158.CB, (T0326)T194.CB) [> 3.5697 = 5.9495 < 7.7344] w=0.1514 to align # Constraint # added constraint: constraint((T0326)Y168.CB, (T0326)R192.CB) [> 3.0702 = 5.1170 < 6.6521] w=0.1513 to align # Constraint # added constraint: constraint((T0326)G166.CA, (T0326)Y193.CB) [> 3.7612 = 6.2687 < 8.1494] w=0.1513 to align # Constraint # added constraint: constraint((T0326)K198.CB, (T0326)I209.CB) [> 3.6983 = 6.1639 < 8.0131] w=0.1512 to align # Constraint # added constraint: constraint((T0326)F186.CB, (T0326)G233.CA) [> 3.7039 = 6.1732 < 8.0252] w=0.1510 to align # Constraint # added constraint: constraint((T0326)Y153.CB, (T0326)L207.CB) [> 3.5780 = 5.9633 < 7.7523] w=0.1471 to align # Constraint # added constraint: constraint((T0326)G148.CA, (T0326)V221.CB) [> 4.5770 = 7.6283 < 9.9169] w=0.1446 to align # Constraint # added constraint: constraint((T0326)V196.CB, (T0326)G217.CA) [> 3.4423 = 5.7372 < 7.4584] w=0.1425 to align # Constraint # added constraint: constraint((T0326)H182.CB, (T0326)L242.CB) [> 3.4171 = 5.6952 < 7.4037] w=0.1415 to align # Constraint # added constraint: constraint((T0326)E195.CB, (T0326)A216.CB) [> 3.9969 = 6.6615 < 8.6599] w=0.1415 to align # Constraint # added constraint: constraint((T0326)Y153.CB, (T0326)N223.CB) [> 3.9789 = 6.6315 < 8.6210] w=0.1415 to align # Constraint # added constraint: constraint((T0326)L57.CB, (T0326)P235.CB) [> 4.4082 = 7.3469 < 9.5510] w=0.1415 to align # Constraint # added constraint: constraint((T0326)A188.CB, (T0326)R239.CB) [> 4.1921 = 6.9868 < 9.0828] w=0.1415 to align # Constraint # added constraint: constraint((T0326)V65.CB, (T0326)L288.CB) [> 3.8802 = 6.4670 < 8.4071] w=0.1415 to align # Constraint # added constraint: constraint((T0326)L36.CB, (T0326)I250.CB) [> 3.6912 = 6.1519 < 7.9975] w=0.1415 to align # Constraint # added constraint: constraint((T0326)I127.CB, (T0326)T138.CB) [> 4.1207 = 6.8679 < 8.9282] w=0.1413 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)Y120.CB) [> 4.1102 = 6.8504 < 8.9055] w=0.1413 to align # Constraint # added constraint: constraint((T0326)E236.CB, (T0326)A280.CB) [> 3.6662 = 6.1103 < 7.9434] w=0.1412 to align # Constraint # added constraint: constraint((T0326)V67.CB, (T0326)G107.CA) [> 3.6672 = 6.1121 < 7.9457] w=0.1412 to align # Constraint # added constraint: constraint((T0326)V167.CB, (T0326)S191.CB) [> 3.7966 = 6.3277 < 8.2260] w=0.1412 to align # Constraint # added constraint: constraint((T0326)A108.CB, (T0326)E117.CB) [> 3.6259 = 6.0432 < 7.8562] w=0.1412 to align # Constraint # added constraint: constraint((T0326)I209.CB, (T0326)A222.CB) [> 4.1542 = 6.9236 < 9.0007] w=0.1412 to align # Constraint # added constraint: constraint((T0326)L70.CB, (T0326)T91.CB) [> 4.0778 = 6.7963 < 8.8352] w=0.1412 to align # Constraint # added constraint: constraint((T0326)L69.CB, (T0326)T90.CB) [> 4.1376 = 6.8960 < 8.9649] w=0.1412 to align # Constraint # added constraint: constraint((T0326)L112.CB, (T0326)W143.CB) [> 3.8631 = 6.4386 < 8.3702] w=0.1412 to align # Constraint # added constraint: constraint((T0326)T68.CB, (T0326)T90.CB) [> 3.6037 = 6.0062 < 7.8080] w=0.1411 to align # Constraint # added constraint: constraint((T0326)D200.CB, (T0326)V218.CB) [> 4.1877 = 6.9795 < 9.0733] w=0.1410 to align # Constraint # added constraint: constraint((T0326)G102.CA, (T0326)W287.CB) [> 4.1554 = 6.9256 < 9.0033] w=0.1380 to align # Constraint # added constraint: constraint((T0326)Y168.CB, (T0326)F186.CB) [> 3.9794 = 6.6322 < 8.6219] w=0.1364 to align # Constraint # added constraint: constraint((T0326)V167.CB, (T0326)F186.CB) [> 3.9265 = 6.5442 < 8.5075] w=0.1364 to align # Constraint # added constraint: constraint((T0326)L36.CB, (T0326)L288.CB) [> 4.0035 = 6.6726 < 8.6743] w=0.1325 to align # Constraint # added constraint: constraint((T0326)G181.CA, (T0326)N286.CB) [> 4.2028 = 7.0047 < 9.1062] w=0.1314 to align # Constraint # added constraint: constraint((T0326)K157.CB, (T0326)T194.CB) [> 3.5974 = 5.9957 < 7.7944] w=0.1314 to align # Constraint # added constraint: constraint((T0326)V110.CB, (T0326)Y120.CB) [> 4.0309 = 6.7182 < 8.7337] w=0.1314 to align # Constraint # added constraint: constraint((T0326)I105.CB, (T0326)F230.CB) [> 4.5403 = 7.5672 < 9.8373] w=0.1314 to align # Constraint # added constraint: constraint((T0326)V218.CB, (T0326)F230.CB) [> 4.4245 = 7.3742 < 9.5865] w=0.1314 to align # Constraint # added constraint: constraint((T0326)P156.CB, (T0326)E195.CB) [> 3.2644 = 5.4406 < 7.0728] w=0.1314 to align # Constraint # added constraint: constraint((T0326)F179.CB, (T0326)F283.CB) [> 4.1883 = 6.9804 < 9.0746] w=0.1314 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)L288.CB) [> 4.2861 = 7.1436 < 9.2867] w=0.1314 to align # Constraint # added constraint: constraint((T0326)Y237.CB, (T0326)A280.CB) [> 4.0805 = 6.8008 < 8.8410] w=0.1311 to align # Constraint # added constraint: constraint((T0326)M44.CB, (T0326)V110.CB) [> 3.9125 = 6.5208 < 8.4770] w=0.1311 to align # Constraint # added constraint: constraint((T0326)L160.CB, (T0326)A216.CB) [> 3.8722 = 6.4537 < 8.3898] w=0.1311 to align # Constraint # added constraint: constraint((T0326)L55.CB, (T0326)Y246.CB) [> 3.9301 = 6.5501 < 8.5151] w=0.1307 to align # Constraint # added constraint: constraint((T0326)L43.CB, (T0326)E73.CB) [> 3.6710 = 6.1183 < 7.9538] w=0.1269 to align # Constraint # added constraint: constraint((T0326)L39.CB, (T0326)I85.CB) [> 3.6456 = 6.0759 < 7.8987] w=0.1266 to align # Constraint # added constraint: constraint((T0326)T68.CB, (T0326)H84.CB) [> 3.9051 = 6.5086 < 8.4612] w=0.1234 to align # Constraint # added constraint: constraint((T0326)F88.CB, (T0326)L124.CB) [> 3.7015 = 6.1691 < 8.0199] w=0.1217 to align # Constraint # added constraint: constraint((T0326)L112.CB, (T0326)K157.CB) [> 3.1417 = 5.2362 < 6.8071] w=0.1213 to align # Constraint # added constraint: constraint((T0326)G181.CA, (T0326)L282.CB) [> 3.8119 = 6.3532 < 8.2591] w=0.1213 to align # Constraint # added constraint: constraint((T0326)T68.CB, (T0326)G107.CA) [> 4.3410 = 7.2351 < 9.4056] w=0.1213 to align # Constraint # added constraint: constraint((T0326)Y168.CB, (T0326)S191.CB) [> 4.3653 = 7.2755 < 9.4581] w=0.1213 to align # Constraint # added constraint: constraint((T0326)L57.CB, (T0326)F284.CB) [> 3.2213 = 5.3688 < 6.9794] w=0.1213 to align # Constraint # added constraint: constraint((T0326)Y168.CB, (T0326)V220.CB) [> 4.2199 = 7.0331 < 9.1430] w=0.1213 to align # Constraint # added constraint: constraint((T0326)I229.CB, (T0326)Y290.CB) [> 4.3538 = 7.2564 < 9.4333] w=0.1213 to align # Constraint # added constraint: constraint((T0326)Y219.CB, (T0326)F230.CB) [> 3.7231 = 6.2052 < 8.0667] w=0.1213 to align # Constraint # added constraint: constraint((T0326)L43.CB, (T0326)L69.CB) [> 3.9647 = 6.6078 < 8.5902] w=0.1211 to align # Constraint # added constraint: constraint((T0326)F186.CB, (T0326)H279.CB) [> 3.2647 = 5.4411 < 7.0734] w=0.1210 to align # Constraint # added constraint: constraint((T0326)V65.CB, (T0326)P109.CB) [> 3.8632 = 6.4386 < 8.3702] w=0.1210 to align # Constraint # added constraint: constraint((T0326)V167.CB, (T0326)R192.CB) [> 4.2983 = 7.1638 < 9.3130] w=0.1210 to align # Constraint # added constraint: constraint((T0326)T80.CB, (T0326)L288.CB) [> 4.0675 = 6.7792 < 8.8130] w=0.1210 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)I82.CB) [> 3.5399 = 5.8998 < 7.6698] w=0.1210 to align # Constraint # added constraint: constraint((T0326)P109.CB, (T0326)V118.CB) [> 4.1320 = 6.8867 < 8.9527] w=0.1178 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)I85.CB) [> 3.7333 = 6.2222 < 8.0889] w=0.1165 to align # Constraint # added constraint: constraint((T0326)K157.CB, (T0326)D202.CB) [> 3.7228 = 6.2046 < 8.0660] w=0.1112 to align # Constraint # added constraint: constraint((T0326)G102.CA, (T0326)Y290.CB) [> 4.6162 = 7.6937 < 10.0018] w=0.1112 to align # Constraint # added constraint: constraint((T0326)I201.CB, (T0326)G217.CA) [> 3.8538 = 6.4229 < 8.3498] w=0.1112 to align # Constraint # added constraint: constraint((T0326)S191.CB, (T0326)T232.CB) [> 3.6391 = 6.0652 < 7.8847] w=0.1112 to align # Constraint # added constraint: constraint((T0326)H182.CB, (T0326)H279.CB) [> 3.7385 = 6.2308 < 8.1001] w=0.1112 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)C291.CB) [> 3.9566 = 6.5943 < 8.5726] w=0.1112 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)V67.CB) [> 4.2221 = 7.0368 < 9.1479] w=0.1110 to align # Constraint # added constraint: constraint((T0326)A188.CB, (T0326)A280.CB) [> 4.1823 = 6.9704 < 9.0616] w=0.1109 to align # Constraint # added constraint: constraint((T0326)Y193.CB, (T0326)G217.CA) [> 3.7801 = 6.3001 < 8.1902] w=0.1109 to align # Constraint # added constraint: constraint((T0326)F88.CB, (T0326)W121.CB) [> 3.9047 = 6.5078 < 8.4601] w=0.1109 to align # Constraint # added constraint: constraint((T0326)F186.CB, (T0326)V231.CB) [> 4.0570 = 6.7617 < 8.7902] w=0.1109 to align # Constraint # added constraint: constraint((T0326)L39.CB, (T0326)I82.CB) [> 3.7369 = 6.2282 < 8.0967] w=0.1109 to align # Constraint # added constraint: constraint((T0326)T194.CB, (T0326)V218.CB) [> 3.4275 = 5.7125 < 7.4262] w=0.1106 to align # Constraint # added constraint: constraint((T0326)F140.CB, (T0326)T232.CB) [> 3.7825 = 6.3042 < 8.1954] w=0.1106 to align # Constraint # added constraint: constraint((T0326)P45.CB, (T0326)V110.CB) [> 3.3984 = 5.6639 < 7.3631] w=0.1106 to align # Constraint # added constraint: constraint((T0326)F186.CB, (T0326)N223.CB) [> 3.6626 = 6.1043 < 7.9355] w=0.1018 to align # Constraint # added constraint: constraint((T0326)L43.CB, (T0326)P109.CB) [> 4.5187 = 7.5311 < 9.7904] w=0.1011 to align # Constraint # added constraint: constraint((T0326)T106.CB, (T0326)E236.CB) [> 4.5529 = 7.5881 < 9.8645] w=0.1011 to align # Constraint # added constraint: constraint((T0326)T61.CB, (T0326)K87.CB) [> 4.4542 = 7.4237 < 9.6508] w=0.1011 to align # Constraint # added constraint: constraint((T0326)L69.CB, (T0326)Y89.CB) [> 3.0627 = 5.1045 < 6.6358] w=0.1009 to align # Constraint # added constraint: constraint((T0326)W187.CB, (T0326)H279.CB) [> 4.3323 = 7.2205 < 9.3867] w=0.1008 to align # Constraint # added constraint: constraint((T0326)A188.CB, (T0326)F230.CB) [> 3.4704 = 5.7840 < 7.5192] w=0.1008 to align # Constraint # added constraint: constraint((T0326)F186.CB, (T0326)P235.CB) [> 4.3742 = 7.2903 < 9.4774] w=0.1005 to align # Constraint # added constraint: constraint((T0326)A108.CB, (T0326)Y120.CB) [> 3.8312 = 6.3853 < 8.3008] w=0.0965 to align # Constraint # added constraint: constraint((T0326)R34.CB, (T0326)V65.CB) [> 3.7811 = 6.3018 < 8.1924] w=0.0965 to align # Constraint # added constraint: constraint((T0326)S165.CB, (T0326)T194.CB) [> 4.0999 = 6.8331 < 8.8830] w=0.0910 to align # Constraint # added constraint: constraint((T0326)Y168.CB, (T0326)E215.CB) [> 3.9071 = 6.5118 < 8.4654] w=0.0910 to align # Constraint # added constraint: constraint((T0326)G166.CA, (T0326)E195.CB) [> 3.8155 = 6.3591 < 8.2669] w=0.0910 to align # Constraint # added constraint: constraint((T0326)L113.CB, (T0326)Y150.CB) [> 4.2896 = 7.1493 < 9.2941] w=0.0910 to align # Constraint # added constraint: constraint((T0326)K198.CB, (T0326)G217.CA) [> 3.7335 = 6.2225 < 8.0893] w=0.0910 to align # Constraint # added constraint: constraint((T0326)P205.CB, (T0326)K224.CB) [> 4.3906 = 7.3177 < 9.5130] w=0.0910 to align # Constraint # added constraint: constraint((T0326)L58.CB, (T0326)S285.CB) [> 3.4111 = 5.6852 < 7.3908] w=0.0910 to align # Constraint # added constraint: constraint((T0326)Y168.CB, (T0326)A216.CB) [> 3.7048 = 6.1746 < 8.0269] w=0.0910 to align # Constraint # added constraint: constraint((T0326)I209.CB, (T0326)N223.CB) [> 4.6131 = 7.6886 < 9.9951] w=0.0910 to align # Constraint # added constraint: constraint((T0326)I229.CB, (T0326)C291.CB) [> 3.9768 = 6.6280 < 8.6164] w=0.0910 to align # Constraint # added constraint: constraint((T0326)V218.CB, (T0326)G233.CA) [> 3.8998 = 6.4997 < 8.4496] w=0.0909 to align # Constraint # added constraint: constraint((T0326)L69.CB, (T0326)F88.CB) [> 2.9519 = 4.9198 < 6.3958] w=0.0908 to align # Constraint # added constraint: constraint((T0326)T68.CB, (T0326)Y89.CB) [> 3.7785 = 6.2974 < 8.1867] w=0.0908 to align # Constraint # added constraint: constraint((T0326)Y71.CB, (T0326)P235.CB) [> 4.5651 = 7.6084 < 9.8909] w=0.0907 to align # Constraint # added constraint: constraint((T0326)H182.CB, (T0326)L210.CB) [> 4.0051 = 6.6752 < 8.6777] w=0.0907 to align # Constraint # added constraint: constraint((T0326)M139.CB, (T0326)T232.CB) [> 4.4367 = 7.3945 < 9.6129] w=0.0905 to align # Constraint # added constraint: constraint((T0326)K157.CB, (T0326)S191.CB) [> 3.5766 = 5.9609 < 7.7492] w=0.0904 to align # Constraint # added constraint: constraint((T0326)T61.CB, (T0326)F88.CB) [> 3.5218 = 5.8697 < 7.6306] w=0.0865 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)H84.CB) [> 3.4758 = 5.7929 < 7.5308] w=0.0861 to align # Constraint # added constraint: constraint((T0326)D101.CB, (T0326)I292.CB) [> 3.6854 = 6.1423 < 7.9850] w=0.0809 to align # Constraint # added constraint: constraint((T0326)V167.CB, (T0326)W276.CB) [> 4.1044 = 6.8407 < 8.8929] w=0.0809 to align # Constraint # added constraint: constraint((T0326)H190.CB, (T0326)Y219.CB) [> 4.6047 = 7.6745 < 9.9769] w=0.0809 to align # Constraint # added constraint: constraint((T0326)L112.CB, (T0326)T194.CB) [> 3.9398 = 6.5663 < 8.5363] w=0.0809 to align # Constraint # added constraint: constraint((T0326)F88.CB, (T0326)A108.CB) [> 4.5460 = 7.5767 < 9.8498] w=0.0809 to align # Constraint # added constraint: constraint((T0326)Y71.CB, (T0326)G107.CA) [> 4.3525 = 7.2541 < 9.4303] w=0.0809 to align # Constraint # added constraint: constraint((T0326)T194.CB, (T0326)Y219.CB) [> 3.6895 = 6.1492 < 7.9940] w=0.0809 to align # Constraint # added constraint: constraint((T0326)Y219.CB, (T0326)I229.CB) [> 4.3653 = 7.2754 < 9.4580] w=0.0809 to align # Constraint # added constraint: constraint((T0326)E116.CB, (T0326)I155.CB) [> 3.0912 = 5.1521 < 6.6977] w=0.0808 to align # Constraint # added constraint: constraint((T0326)L70.CB, (T0326)Y89.CB) [> 3.9289 = 6.5482 < 8.5127] w=0.0807 to align # Constraint # added constraint: constraint((T0326)W187.CB, (T0326)T232.CB) [> 3.5542 = 5.9237 < 7.7008] w=0.0806 to align # Constraint # added constraint: constraint((T0326)L69.CB, (T0326)L86.CB) [> 4.0938 = 6.8230 < 8.8699] w=0.0806 to align # Constraint # added constraint: constraint((T0326)V65.CB, (T0326)V110.CB) [> 3.7240 = 6.2066 < 8.0686] w=0.0806 to align # Constraint # added constraint: constraint((T0326)L63.CB, (T0326)V110.CB) [> 3.4508 = 5.7514 < 7.4768] w=0.0806 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)G107.CA) [> 4.3454 = 7.2424 < 9.4151] w=0.0803 to align # Constraint # added constraint: constraint((T0326)S137.CB, (T0326)F230.CB) [> 4.1397 = 6.8995 < 8.9693] w=0.0802 to align # Constraint # added constraint: constraint((T0326)F140.CB, (T0326)F152.CB) [> 4.2296 = 7.0493 < 9.1641] w=0.0800 to align # Constraint # added constraint: constraint((T0326)L69.CB, (T0326)H84.CB) [> 4.2035 = 7.0058 < 9.1076] w=0.0763 to align # Constraint # added constraint: constraint((T0326)I155.CB, (T0326)N223.CB) [> 3.0506 = 5.0844 < 6.6097] w=0.0728 to align # Constraint # added constraint: constraint((T0326)D200.CB, (T0326)A216.CB) [> 3.4880 = 5.8133 < 7.5572] w=0.0718 to align # Constraint # added constraint: constraint((T0326)L63.CB, (T0326)L86.CB) [> 4.1250 = 6.8750 < 8.9375] w=0.0718 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)W287.CB) [> 4.3888 = 7.3147 < 9.5090] w=0.0708 to align # Constraint # added constraint: constraint((T0326)R227.CB, (T0326)Y293.CB) [> 4.4692 = 7.4487 < 9.6834] w=0.0708 to align # Constraint # added constraint: constraint((T0326)R180.CB, (T0326)L210.CB) [> 2.9347 = 4.8912 < 6.3585] w=0.0708 to align # Constraint # added constraint: constraint((T0326)G107.CA, (T0326)G233.CA) [> 4.3770 = 7.2951 < 9.4836] w=0.0707 to align # Constraint # added constraint: constraint((T0326)V231.CB, (T0326)H279.CB) [> 3.0726 = 5.1210 < 6.6572] w=0.0707 to align # Constraint # added constraint: constraint((T0326)F179.CB, (T0326)I229.CB) [> 4.2899 = 7.1498 < 9.2948] w=0.0705 to align # Constraint # added constraint: constraint((T0326)L69.CB, (T0326)E236.CB) [> 2.7760 = 4.6266 < 6.0146] w=0.0705 to align # Constraint # added constraint: constraint((T0326)F140.CB, (T0326)A188.CB) [> 4.5334 = 7.5556 < 9.8223] w=0.0705 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)Y71.CB) [> 3.6710 = 6.1183 < 7.9538] w=0.0704 to align # Constraint # added constraint: constraint((T0326)S137.CB, (T0326)V231.CB) [> 3.8986 = 6.4977 < 8.4470] w=0.0704 to align # Constraint # added constraint: constraint((T0326)A188.CB, (T0326)V220.CB) [> 4.3608 = 7.2681 < 9.4485] w=0.0627 to align # Constraint # added constraint: constraint((T0326)W187.CB, (T0326)V220.CB) [> 4.0207 = 6.7012 < 8.7115] w=0.0624 to align # Constraint # added constraint: constraint((T0326)W187.CB, (T0326)L210.CB) [> 3.5083 = 5.8471 < 7.6013] w=0.0624 to align # Constraint # added constraint: constraint((T0326)A188.CB, (T0326)L210.CB) [> 4.3101 = 7.1835 < 9.3386] w=0.0621 to align # Constraint # added constraint: constraint((T0326)F186.CB, (T0326)W276.CB) [> 3.5134 = 5.8557 < 7.6124] w=0.0607 to align # Constraint # added constraint: constraint((T0326)L113.CB, (T0326)K157.CB) [> 3.8796 = 6.4660 < 8.4058] w=0.0607 to align # Constraint # added constraint: constraint((T0326)D101.CB, (T0326)Q294.CB) [> 4.1431 = 6.9052 < 8.9768] w=0.0607 to align # Constraint # added constraint: constraint((T0326)P235.CB, (T0326)L282.CB) [> 4.6305 = 7.7175 < 10.0327] w=0.0607 to align # Constraint # added constraint: constraint((T0326)F179.CB, (T0326)E208.CB) [> 3.8417 = 6.4029 < 8.3237] w=0.0607 to align # Constraint # added constraint: constraint((T0326)S137.CB, (T0326)Y293.CB) [> 4.5521 = 7.5869 < 9.8630] w=0.0607 to align # Constraint # added constraint: constraint((T0326)K169.CB, (T0326)H190.CB) [> 4.4317 = 7.3861 < 9.6020] w=0.0607 to align # Constraint # added constraint: constraint((T0326)M139.CB, (T0326)F284.CB) [> 4.0380 = 6.7300 < 8.7490] w=0.0607 to align # Constraint # added constraint: constraint((T0326)G148.CA, (T0326)S165.CB) [> 2.7984 = 4.6641 < 6.0633] w=0.0607 to align # Constraint # added constraint: constraint((T0326)L58.CB, (T0326)C291.CB) [> 4.4331 = 7.3885 < 9.6050] w=0.0606 to align # Constraint # added constraint: constraint((T0326)A216.CB, (T0326)G233.CA) [> 3.9792 = 6.6321 < 8.6217] w=0.0606 to align # Constraint # added constraint: constraint((T0326)R34.CB, (T0326)D101.CB) [> 4.2284 = 7.0473 < 9.1614] w=0.0606 to align # Constraint # added constraint: constraint((T0326)I104.CB, (T0326)S137.CB) [> 4.7361 = 7.8936 < 10.2616] w=0.0606 to align # Constraint # added constraint: constraint((T0326)L57.CB, (T0326)I104.CB) [> 3.8123 = 6.3538 < 8.2599] w=0.0604 to align # Constraint # added constraint: constraint((T0326)L57.CB, (T0326)F103.CB) [> 4.4450 = 7.4083 < 9.6308] w=0.0604 to align # Constraint # added constraint: constraint((T0326)A188.CB, (T0326)H279.CB) [> 4.0649 = 6.7748 < 8.8073] w=0.0604 to align # Constraint # added constraint: constraint((T0326)W187.CB, (T0326)V231.CB) [> 3.3129 = 5.5216 < 7.1780] w=0.0604 to align # Constraint # added constraint: constraint((T0326)Q64.CB, (T0326)V110.CB) [> 2.5786 = 4.2977 < 5.5870] w=0.0604 to align # Constraint # added constraint: constraint((T0326)F152.CB, (T0326)F186.CB) [> 4.3020 = 7.1700 < 9.3209] w=0.0604 to align # Constraint # added constraint: constraint((T0326)F140.CB, (T0326)G233.CA) [> 4.3366 = 7.2276 < 9.3959] w=0.0603 to align # Constraint # added constraint: constraint((T0326)F186.CB, (T0326)V220.CB) [> 4.2830 = 7.1383 < 9.2798] w=0.0515 to align # Constraint # added constraint: constraint((T0326)F186.CB, (T0326)L210.CB) [> 4.3979 = 7.3298 < 9.5288] w=0.0513 to align # Constraint # added constraint: constraint((T0326)A188.CB, (T0326)W276.CB) [> 3.6996 = 6.1660 < 8.0158] w=0.0506 to align # Constraint # added constraint: constraint((T0326)W187.CB, (T0326)W276.CB) [> 3.2470 = 5.4116 < 7.0351] w=0.0506 to align # Constraint # added constraint: constraint((T0326)R180.CB, (T0326)Y290.CB) [> 4.0569 = 6.7615 < 8.7900] w=0.0506 to align # Constraint # added constraint: constraint((T0326)P235.CB, (T0326)W276.CB) [> 3.6219 = 6.0365 < 7.8474] w=0.0506 to align # Constraint # added constraint: constraint((T0326)T68.CB, (T0326)E236.CB) [> 3.9141 = 6.5236 < 8.4806] w=0.0505 to align # Constraint # added constraint: constraint((T0326)S137.CB, (T0326)L254.CB) [> 2.8444 = 4.7406 < 6.1628] w=0.0505 to align # Constraint # added constraint: constraint((T0326)Y168.CB, (T0326)F230.CB) [> 3.4192 = 5.6986 < 7.4082] w=0.0505 to align # Constraint # added constraint: constraint((T0326)F186.CB, (T0326)F230.CB) [> 2.8554 = 4.7590 < 6.1867] w=0.0505 to align # Constraint # added constraint: constraint((T0326)I155.CB, (T0326)Q228.CB) [> 3.7313 = 6.2189 < 8.0845] w=0.0505 to align # Constraint # added constraint: constraint((T0326)M139.CB, (T0326)C291.CB) [> 3.6555 = 6.0925 < 7.9202] w=0.0505 to align # Constraint # added constraint: constraint((T0326)W187.CB, (T0326)F230.CB) [> 2.9284 = 4.8807 < 6.3449] w=0.0505 to align # Constraint # added constraint: constraint((T0326)M139.CB, (T0326)H279.CB) [> 4.2758 = 7.1264 < 9.2643] w=0.0505 to align # Constraint # added constraint: constraint((T0326)L43.CB, (T0326)P114.CB) [> 3.7032 = 6.1720 < 8.0236] w=0.0505 to align # Constraint # added constraint: constraint((T0326)N42.CB, (T0326)V110.CB) [> 3.7520 = 6.2533 < 8.1292] w=0.0505 to align # Constraint # added constraint: constraint((T0326)C142.CB, (T0326)P235.CB) [> 3.7686 = 6.2810 < 8.1653] w=0.0504 to align # Constraint # added constraint: constraint((T0326)N66.CB, (T0326)P109.CB) [> 3.3308 = 5.5514 < 7.2168] w=0.0503 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)K87.CB) [> 3.9248 = 6.5414 < 8.5038] w=0.0503 to align # Constraint # added constraint: constraint((T0326)F140.CB, (T0326)Y151.CB) [> 3.6123 = 6.0205 < 7.8267] w=0.0500 to align # Constraint # added constraint: constraint((T0326)I105.CB, (T0326)Y151.CB) [> 3.0043 = 5.0072 < 6.5094] w=0.0500 to align # Constraint # added constraint: constraint((T0326)V167.CB, (T0326)P259.CB) [> 4.4452 = 7.4087 < 9.6313] w=0.0404 to align # Constraint # added constraint: constraint((T0326)G166.CA, (T0326)P259.CB) [> 2.6933 = 4.4888 < 5.8355] w=0.0404 to align # Constraint # added constraint: constraint((T0326)S137.CB, (T0326)I292.CB) [> 3.3244 = 5.5406 < 7.2028] w=0.0404 to align # Constraint # added constraint: constraint((T0326)G102.CA, (T0326)I292.CB) [> 3.0785 = 5.1308 < 6.6701] w=0.0404 to align # Constraint # added constraint: constraint((T0326)V177.CB, (T0326)L254.CB) [> 3.2213 = 5.3689 < 6.9795] w=0.0404 to align # Constraint # added constraint: constraint((T0326)R180.CB, (T0326)V220.CB) [> 4.2853 = 7.1421 < 9.2847] w=0.0404 to align # Constraint # added constraint: constraint((T0326)F179.CB, (T0326)L254.CB) [> 3.3647 = 5.6078 < 7.2901] w=0.0404 to align # Constraint # added constraint: constraint((T0326)F186.CB, (T0326)I273.CB) [> 3.8271 = 6.3784 < 8.2920] w=0.0404 to align # Constraint # added constraint: constraint((T0326)I33.CB, (T0326)L63.CB) [> 3.6208 = 6.0346 < 7.8450] w=0.0404 to align # Constraint # added constraint: constraint((T0326)V167.CB, (T0326)A260.CB) [> 4.3011 = 7.1686 < 9.3191] w=0.0404 to align # Constraint # added constraint: constraint((T0326)P235.CB, (T0326)W277.CB) [> 4.0748 = 6.7913 < 8.8287] w=0.0404 to align # Constraint # added constraint: constraint((T0326)E215.CB, (T0326)A260.CB) [> 4.7124 = 7.8540 < 10.2102] w=0.0404 to align # Constraint # added constraint: constraint((T0326)L69.CB, (T0326)T106.CB) [> 3.7448 = 6.2413 < 8.1138] w=0.0404 to align # Constraint # added constraint: constraint((T0326)I20.CB, (T0326)E195.CB) [> 4.0377 = 6.7295 < 8.7484] w=0.0404 to align # Constraint # added constraint: constraint((T0326)I20.CB, (T0326)K163.CB) [> 4.0618 = 6.7696 < 8.8006] w=0.0404 to align # Constraint # added constraint: constraint((T0326)L15.CB, (T0326)Q162.CB) [> 3.0720 = 5.1200 < 6.6561] w=0.0404 to align # Constraint # added constraint: constraint((T0326)Y153.CB, (T0326)Q228.CB) [> 4.6994 = 7.8323 < 10.1820] w=0.0404 to align # Constraint # added constraint: constraint((T0326)N42.CB, (T0326)I104.CB) [> 4.2619 = 7.1032 < 9.2341] w=0.0404 to align # Constraint # added constraint: constraint((T0326)N42.CB, (T0326)F103.CB) [> 4.2780 = 7.1300 < 9.2690] w=0.0404 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)G102.CA) [> 3.9506 = 6.5843 < 8.5596] w=0.0404 to align # Constraint # added constraint: constraint((T0326)E37.CB, (T0326)C291.CB) [> 3.8128 = 6.3547 < 8.2612] w=0.0404 to align # Constraint # added constraint: constraint((T0326)F140.CB, (T0326)F186.CB) [> 4.6252 = 7.7087 < 10.0213] w=0.0404 to align # Constraint # added constraint: constraint((T0326)C142.CB, (T0326)E236.CB) [> 4.5090 = 7.5149 < 9.7694] w=0.0404 to align # Constraint # added constraint: constraint((T0326)N42.CB, (T0326)L86.CB) [> 4.0099 = 6.6831 < 8.6881] w=0.0404 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)M139.CB) [> 4.5649 = 7.6082 < 9.8907] w=0.0404 to align # Constraint # added constraint: constraint((T0326)P156.CB, (T0326)L210.CB) [> 2.7543 = 4.5905 < 5.9676] w=0.0404 to align # Constraint # added constraint: constraint((T0326)P45.CB, (T0326)L113.CB) [> 3.2758 = 5.4597 < 7.0976] w=0.0404 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)A108.CB) [> 3.9768 = 6.6280 < 8.6163] w=0.0404 to align # Constraint # added constraint: constraint((T0326)C142.CB, (T0326)A188.CB) [> 4.1398 = 6.8997 < 8.9696] w=0.0403 to align # Constraint # added constraint: constraint((T0326)F140.CB, (T0326)H190.CB) [> 4.4145 = 7.3576 < 9.5648] w=0.0356 to align # Constraint # added constraint: constraint((T0326)L36.CB, (T0326)Y293.CB) [> 3.6128 = 6.0213 < 7.8277] w=0.0303 to align # Constraint # added constraint: constraint((T0326)I33.CB, (T0326)Y293.CB) [> 4.5298 = 7.5496 < 9.8145] w=0.0303 to align # Constraint # added constraint: constraint((T0326)S191.CB, (T0326)P235.CB) [> 4.7819 = 7.9698 < 10.3607] w=0.0303 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)I292.CB) [> 4.0984 = 6.8307 < 8.8799] w=0.0303 to align # Constraint # added constraint: constraint((T0326)D101.CB, (T0326)Y293.CB) [> 4.1365 = 6.8942 < 8.9624] w=0.0303 to align # Constraint # added constraint: constraint((T0326)F186.CB, (T0326)T275.CB) [> 3.2272 = 5.3786 < 6.9922] w=0.0303 to align # Constraint # added constraint: constraint((T0326)E236.CB, (T0326)F263.CB) [> 4.4852 = 7.4753 < 9.7179] w=0.0303 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)S137.CB) [> 4.5135 = 7.5226 < 9.7794] w=0.0303 to align # Constraint # added constraint: constraint((T0326)E245.CB, (T0326)P259.CB) [> 4.6437 = 7.7394 < 10.0613] w=0.0303 to align # Constraint # added constraint: constraint((T0326)N261.CB, (T0326)I273.CB) [> 4.4296 = 7.3828 < 9.5976] w=0.0303 to align # Constraint # added constraint: constraint((T0326)F263.CB, (T0326)P272.CB) [> 3.9376 = 6.5627 < 8.5315] w=0.0303 to align # Constraint # added constraint: constraint((T0326)F263.CB, (T0326)I273.CB) [> 4.4999 = 7.4999 < 9.7498] w=0.0303 to align # Constraint # added constraint: constraint((T0326)S165.CB, (T0326)P257.CB) [> 3.9833 = 6.6389 < 8.6305] w=0.0303 to align # Constraint # added constraint: constraint((T0326)S165.CB, (T0326)P259.CB) [> 3.2250 = 5.3750 < 6.9875] w=0.0303 to align # Constraint # added constraint: constraint((T0326)V167.CB, (T0326)I273.CB) [> 4.5707 = 7.6178 < 9.9031] w=0.0303 to align # Constraint # added constraint: constraint((T0326)V167.CB, (T0326)T275.CB) [> 3.4708 = 5.7846 < 7.5200] w=0.0303 to align # Constraint # added constraint: constraint((T0326)Y168.CB, (T0326)A260.CB) [> 4.2466 = 7.0776 < 9.2008] w=0.0303 to align # Constraint # added constraint: constraint((T0326)G102.CA, (T0326)Q294.CB) [> 4.4092 = 7.3487 < 9.5533] w=0.0303 to align # Constraint # added constraint: constraint((T0326)I20.CB, (T0326)I33.CB) [> 4.6081 = 7.6802 < 9.9843] w=0.0303 to align # Constraint # added constraint: constraint((T0326)V22.CB, (T0326)D32.CB) [> 3.7448 = 6.2414 < 8.1138] w=0.0303 to align # Constraint # added constraint: constraint((T0326)I33.CB, (T0326)V110.CB) [> 2.8402 = 4.7337 < 6.1538] w=0.0303 to align # Constraint # added constraint: constraint((T0326)P35.CB, (T0326)E111.CB) [> 3.2510 = 5.4184 < 7.0439] w=0.0303 to align # Constraint # added constraint: constraint((T0326)G102.CA, (T0326)V256.CB) [> 4.7619 = 7.9364 < 10.3174] w=0.0303 to align # Constraint # added constraint: constraint((T0326)L124.CB, (T0326)F152.CB) [> 4.6679 = 7.7798 < 10.1137] w=0.0303 to align # Constraint # added constraint: constraint((T0326)K157.CB, (T0326)V172.CB) [> 3.6247 = 6.0412 < 7.8535] w=0.0303 to align # Constraint # added constraint: constraint((T0326)F186.CB, (T0326)W277.CB) [> 3.9185 = 6.5308 < 8.4900] w=0.0303 to align # Constraint # added constraint: constraint((T0326)L43.CB, (T0326)T68.CB) [> 3.3586 = 5.5977 < 7.2769] w=0.0303 to align # Constraint # added constraint: constraint((T0326)T68.CB, (T0326)I104.CB) [> 4.2329 = 7.0549 < 9.1714] w=0.0303 to align # Constraint # added constraint: constraint((T0326)A188.CB, (T0326)E236.CB) [> 3.9904 = 6.6506 < 8.6458] w=0.0303 to align # Constraint # added constraint: constraint((T0326)T106.CB, (T0326)G233.CA) [> 4.3930 = 7.3217 < 9.5182] w=0.0303 to align # Constraint # added constraint: constraint((T0326)L43.CB, (T0326)L86.CB) [> 3.9817 = 6.6361 < 8.6270] w=0.0303 to align # Constraint # added constraint: constraint((T0326)F186.CB, (T0326)I229.CB) [> 4.0838 = 6.8064 < 8.8483] w=0.0300 to align # Constraint # added constraint: constraint((T0326)L210.CB, (T0326)F230.CB) [> 4.5682 = 7.6137 < 9.8979] w=0.0300 to align # Constraint # added constraint: constraint((T0326)V14.CB, (T0326)H281.CB) [> 2.9205 = 4.8675 < 6.3278] w=0.0258 to align # Constraint # added constraint: constraint((T0326)E236.CB, (T0326)Y262.CB) [> 3.6851 = 6.1418 < 7.9844] w=0.0202 to align # Constraint # added constraint: constraint((T0326)W187.CB, (T0326)P235.CB) [> 4.2701 = 7.1168 < 9.2518] w=0.0202 to align # Constraint # added constraint: constraint((T0326)G102.CA, (T0326)T296.CB) [> 4.4831 = 7.4719 < 9.7135] w=0.0202 to align # Constraint # added constraint: constraint((T0326)E37.CB, (T0326)V256.CB) [> 4.6953 = 7.8255 < 10.1731] w=0.0202 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)V256.CB) [> 4.2624 = 7.1040 < 9.2351] w=0.0202 to align # Constraint # added constraint: constraint((T0326)F140.CB, (T0326)Y168.CB) [> 4.2476 = 7.0793 < 9.2031] w=0.0202 to align # Constraint # added constraint: constraint((T0326)A108.CB, (T0326)F140.CB) [> 4.4121 = 7.3535 < 9.5595] w=0.0202 to align # Constraint # added constraint: constraint((T0326)L54.CB, (T0326)L274.CB) [> 4.0224 = 6.7040 < 8.7152] w=0.0202 to align # Constraint # added constraint: constraint((T0326)L57.CB, (T0326)L274.CB) [> 3.6096 = 6.0160 < 7.8208] w=0.0202 to align # Constraint # added constraint: constraint((T0326)L58.CB, (T0326)L274.CB) [> 3.9246 = 6.5411 < 8.5034] w=0.0202 to align # Constraint # added constraint: constraint((T0326)K157.CB, (T0326)T232.CB) [> 4.3550 = 7.2583 < 9.4358] w=0.0202 to align # Constraint # added constraint: constraint((T0326)P6.CB, (T0326)D184.CB) [> 2.6702 = 4.4503 < 5.7853] w=0.0202 to align # Constraint # added constraint: constraint((T0326)P6.CB, (T0326)V172.CB) [> 4.3172 = 7.1954 < 9.3540] w=0.0202 to align # Constraint # added constraint: constraint((T0326)V5.CB, (T0326)P272.CB) [> 3.6846 = 6.1410 < 7.9833] w=0.0202 to align # Constraint # added constraint: constraint((T0326)N4.CB, (T0326)F186.CB) [> 3.5713 = 5.9521 < 7.7378] w=0.0202 to align # Constraint # added constraint: constraint((T0326)N4.CB, (T0326)F185.CB) [> 3.2313 = 5.3854 < 7.0010] w=0.0202 to align # Constraint # added constraint: constraint((T0326)N4.CB, (T0326)D184.CB) [> 4.1910 = 6.9849 < 9.0804] w=0.0202 to align # Constraint # added constraint: constraint((T0326)I3.CB, (T0326)P272.CB) [> 4.4108 = 7.3513 < 9.5567] w=0.0202 to align # Constraint # added constraint: constraint((T0326)I3.CB, (T0326)P264.CB) [> 3.4153 = 5.6921 < 7.3997] w=0.0202 to align # Constraint # added constraint: constraint((T0326)I3.CB, (T0326)F263.CB) [> 4.7209 = 7.8682 < 10.2287] w=0.0202 to align # Constraint # added constraint: constraint((T0326)I3.CB, (T0326)F186.CB) [> 3.3842 = 5.6403 < 7.3323] w=0.0202 to align # Constraint # added constraint: constraint((T0326)I3.CB, (T0326)F185.CB) [> 4.3043 = 7.1738 < 9.3260] w=0.0202 to align # Constraint # added constraint: constraint((T0326)P2.CB, (T0326)K169.CB) [> 4.3716 = 7.2860 < 9.4718] w=0.0202 to align # Constraint # added constraint: constraint((T0326)M139.CB, (T0326)W276.CB) [> 4.6009 = 7.6682 < 9.9687] w=0.0202 to align # Constraint # added constraint: constraint((T0326)L69.CB, (T0326)G107.CA) [> 3.1139 = 5.1898 < 6.7467] w=0.0202 to align # Constraint # added constraint: constraint((T0326)L69.CB, (T0326)A108.CB) [> 4.4469 = 7.4116 < 9.6350] w=0.0202 to align # Constraint # added constraint: constraint((T0326)L69.CB, (T0326)C142.CB) [> 3.4241 = 5.7067 < 7.4188] w=0.0202 to align # Constraint # added constraint: constraint((T0326)C142.CB, (T0326)F186.CB) [> 4.2475 = 7.0791 < 9.2029] w=0.0202 to align # Constraint # added constraint: constraint((T0326)C142.CB, (T0326)W187.CB) [> 2.8274 = 4.7123 < 6.1260] w=0.0202 to align # Constraint # added constraint: constraint((T0326)L43.CB, (T0326)L57.CB) [> 3.0052 = 5.0086 < 6.5112] w=0.0202 to align # Constraint # added constraint: constraint((T0326)G107.CA, (T0326)E236.CB) [> 3.9326 = 6.5543 < 8.5205] w=0.0202 to align # Constraint # added constraint: constraint((T0326)L58.CB, (T0326)M139.CB) [> 4.5100 = 7.5166 < 9.7716] w=0.0202 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)L57.CB) [> 3.6604 = 6.1007 < 7.9309] w=0.0202 to align # Constraint # added constraint: constraint((T0326)E37.CB, (T0326)L69.CB) [> 4.5498 = 7.5830 < 9.8578] w=0.0202 to align # Constraint # added constraint: constraint((T0326)T80.CB, (T0326)I292.CB) [> 4.1570 = 6.9284 < 9.0069] w=0.0202 to align # Constraint # added constraint: constraint((T0326)F230.CB, (T0326)Y290.CB) [> 4.4071 = 7.3452 < 9.5487] w=0.0202 to align # Constraint # added constraint: constraint((T0326)L15.CB, (T0326)L58.CB) [> 4.2641 = 7.1069 < 9.2389] w=0.0157 to align # Constraint # added constraint: constraint((T0326)L15.CB, (T0326)F284.CB) [> 3.7557 = 6.2596 < 8.1374] w=0.0157 to align # Constraint # added constraint: constraint((T0326)E18.CB, (T0326)H281.CB) [> 3.6354 = 6.0591 < 7.8768] w=0.0157 to align # Constraint # added constraint: constraint((T0326)E18.CB, (T0326)S285.CB) [> 3.2616 = 5.4359 < 7.0667] w=0.0157 to align # Constraint # added constraint: constraint((T0326)F103.CB, (T0326)F140.CB) [> 4.2392 = 7.0654 < 9.1849] w=0.0112 to align # Constraint # added constraint: constraint((T0326)G102.CA, (T0326)F140.CB) [> 4.4640 = 7.4401 < 9.6721] w=0.0112 to align # Constraint # added constraint: constraint((T0326)G19.CA, (T0326)Q64.CB) [> 4.6112 = 7.6854 < 9.9910] w=0.0101 to align # Constraint # added constraint: constraint((T0326)L39.CB, (T0326)L86.CB) [> 4.5700 = 7.6167 < 9.9017] w=0.0101 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)L86.CB) [> 3.5408 = 5.9013 < 7.6717] w=0.0101 to align # Constraint # added constraint: constraint((T0326)E37.CB, (T0326)I292.CB) [> 3.4063 = 5.6772 < 7.3803] w=0.0101 to align # Constraint # added constraint: constraint((T0326)E37.CB, (T0326)T296.CB) [> 4.4287 = 7.3811 < 9.5955] w=0.0101 to align # Constraint # added constraint: constraint((T0326)E37.CB, (T0326)Y298.CB) [> 4.6466 = 7.7443 < 10.0676] w=0.0101 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)T296.CB) [> 4.5926 = 7.6543 < 9.9506] w=0.0101 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)Y298.CB) [> 4.6785 = 7.7975 < 10.1368] w=0.0101 to align # Constraint # added constraint: constraint((T0326)L43.CB, (T0326)L58.CB) [> 4.0958 = 6.8263 < 8.8742] w=0.0101 to align # Constraint # added constraint: constraint((T0326)L58.CB, (T0326)E236.CB) [> 4.6866 = 7.8110 < 10.1543] w=0.0101 to align # Constraint # added constraint: constraint((T0326)A11.CB, (T0326)L57.CB) [> 3.1927 = 5.3212 < 6.9176] w=0.0101 to align # Constraint # added constraint: constraint((T0326)V14.CB, (T0326)L57.CB) [> 2.7720 = 4.6200 < 6.0060] w=0.0101 to align # Constraint # added constraint: constraint((T0326)V14.CB, (T0326)P62.CB) [> 3.3693 = 5.6155 < 7.3002] w=0.0101 to align # Constraint # added constraint: constraint((T0326)L15.CB, (T0326)L57.CB) [> 4.0156 = 6.6927 < 8.7006] w=0.0101 to align # Constraint # added constraint: constraint((T0326)E18.CB, (T0326)R34.CB) [> 3.7638 = 6.2730 < 8.1549] w=0.0101 to align # Constraint # added constraint: constraint((T0326)K99.CB, (T0326)Y298.CB) [> 2.6232 = 4.3719 < 5.6835] w=0.0101 to align # Constraint # added constraint: constraint((T0326)K99.CB, (T0326)R299.CB) [> 4.2009 = 7.0015 < 9.1020] w=0.0101 to align # Constraint # added constraint: constraint((T0326)E37.CB, (T0326)L57.CB) [> 3.0515 = 5.0858 < 6.6116] w=0.0101 to align # Constraint # added constraint: constraint((T0326)V167.CB, (T0326)I258.CB) [> 4.3183 = 7.1972 < 9.3564] w=0.0101 to align # Constraint # added constraint: constraint((T0326)W187.CB, (T0326)I258.CB) [> 4.4663 = 7.4439 < 9.6770] w=0.0101 to align # Constraint # added constraint: constraint((T0326)A188.CB, (T0326)I258.CB) [> 4.3501 = 7.2502 < 9.4252] w=0.0101 to align # Constraint # added constraint: constraint((T0326)F186.CB, (T0326)T232.CB) [> 2.4748 = 4.1246 < 5.3620] w=0.0101 to align # Constraint # added constraint: constraint((T0326)L58.CB, (T0326)N289.CB) [> 4.6465 = 7.7442 < 10.0675] w=0.0101 to align # Constraint # added constraint: constraint((T0326)I38.CB, (T0326)L69.CB) [> 3.3510 = 5.5849 < 7.2604] w=0.0101 to align # Constraint # added constraint: constraint((T0326)S137.CB, (T0326)Q294.CB) [> 3.0728 = 5.1214 < 6.6578] w=0.0101 to align # Constraint # added constraint: constraint((T0326)M23.CB, (T0326)Y262.CB) [> 3.3616 = 5.6026 < 7.2834] w=0.0101 to align # Constraint # added constraint: constraint((T0326)M23.CB, (T0326)P189.CB) [> 2.9160 = 4.8599 < 6.3179] w=0.0101 to align # Constraint # added constraint: constraint((T0326)M23.CB, (T0326)K169.CB) [> 3.2403 = 5.4005 < 7.0206] w=0.0101 to align # Constraint # added constraint: constraint((T0326)M23.CB, (T0326)V167.CB) [> 4.2534 = 7.0890 < 9.2156] w=0.0101 to align # Constraint # added constraint: constraint((T0326)V22.CB, (T0326)Y262.CB) [> 4.7736 = 7.9560 < 10.3427] w=0.0101 to align # Constraint # added constraint: constraint((T0326)F21.CB, (T0326)D214.CB) [> 3.0580 = 5.0966 < 6.6256] w=0.0101 to align # Constraint # added constraint: constraint((T0326)V5.CB, (T0326)F186.CB) [> 4.2005 = 7.0009 < 9.1011] w=0.0101 to align # Constraint # added constraint: constraint((T0326)V5.CB, (T0326)F185.CB) [> 3.1107 = 5.1845 < 6.7398] w=0.0101 to align # Constraint # added constraint: constraint((T0326)V5.CB, (T0326)D184.CB) [> 3.1591 = 5.2652 < 6.8448] w=0.0101 to align # Constraint # added constraint: constraint((T0326)I3.CB, (T0326)W187.CB) [> 4.4463 = 7.4104 < 9.6336] w=0.0101 to align # Constraint # added constraint: constraint((T0326)P2.CB, (T0326)F186.CB) [> 4.4272 = 7.3787 < 9.5923] w=0.0101 to align # Constraint # added constraint: constraint((T0326)P2.CB, (T0326)F185.CB) [> 4.3601 = 7.2668 < 9.4468] w=0.0101 to align # Constraint # added constraint: constraint((T0326)M1.CB, (T0326)Y262.CB) [> 3.3329 = 5.5548 < 7.2212] w=0.0101 to align # Constraint # added constraint: constraint((T0326)M1.CB, (T0326)W187.CB) [> 3.0461 = 5.0769 < 6.6000] w=0.0101 to align # Constraint # added constraint: constraint((T0326)M1.CB, (T0326)K169.CB) [> 3.2726 = 5.4544 < 7.0907] w=0.0101 to align # Constraint # added constraint: constraint((T0326)M1.CB, (T0326)V167.CB) [> 4.2393 = 7.0655 < 9.1852] w=0.0101 to align # Constraint # added constraint: constraint((T0326)I20.CB, (T0326)N66.CB) [> 2.7112 = 4.5186 < 5.8742] w=0.0101 to align # Constraint # added constraint: constraint((T0326)A11.CB, (T0326)L282.CB) [> 3.3946 = 5.6576 < 7.3549] w=0.0101 to align # Constraint # added constraint: constraint((T0326)A11.CB, (T0326)S278.CB) [> 2.3717 = 3.9528 < 5.1386] w=0.0101 to align # Constraint # added constraint: constraint((T0326)A11.CB, (T0326)W277.CB) [> 4.5733 = 7.6222 < 9.9089] w=0.0101 to align # Constraint # added constraint: constraint((T0326)P10.CB, (T0326)L282.CB) [> 3.3880 = 5.6467 < 7.3408] w=0.0101 to align # Constraint # added constraint: constraint((T0326)L210.CB, (T0326)G233.CA) [> 4.7846 = 7.9743 < 10.3666] w=0.0101 to align # Constraint # added constraint: constraint((T0326)W187.CB, (T0326)F263.CB) [> 4.2698 = 7.1164 < 9.2513] w=0.0101 to align # Constraint # added constraint: constraint((T0326)W187.CB, (T0326)Y262.CB) [> 3.8710 = 6.4517 < 8.3873] w=0.0101 to align # Constraint # added constraint: constraint((T0326)C142.CB, (T0326)F230.CB) [> 4.4243 = 7.3739 < 9.5860] w=0.0101 to align # Constraint # added constraint: constraint((T0326)K157.CB, (T0326)A188.CB) [> 3.7180 = 6.1966 < 8.0556] w=0.0101 to align # Constraint # added constraint: constraint((T0326)K157.CB, (T0326)I229.CB) [> 2.6223 = 4.3706 < 5.6818] w=0.0101 to align # Constraint # added constraint: constraint((T0326)K157.CB, (T0326)L210.CB) [> 4.3228 = 7.2047 < 9.3661] w=0.0101 to align # Constraint # added constraint: constraint((T0326)K157.CB, (T0326)F230.CB) [> 2.6303 = 4.3838 < 5.6989] w=0.0101 to align # Constraint # added constraint: constraint((T0326)T68.CB, (T0326)A108.CB) [> 4.1681 = 6.9469 < 9.0309] w=0.0101 to align # Constraint # added constraint: constraint((T0326)E236.CB, (T0326)W276.CB) [> 2.5462 = 4.2436 < 5.5167] w=0.0101 to align # Constraint # added constraint: constraint((T0326)S137.CB, (T0326)V256.CB) [> 3.9253 = 6.5421 < 8.5047] w=0.0101 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)L58.CB) [> 4.6663 = 7.7771 < 10.1102] w=0.0101 to align # Constraint # added constraint: constraint((T0326)L69.CB, (T0326)G233.CA) [> 3.8500 = 6.4166 < 8.3416] w=0.0101 to align # Constraint # added constraint: constraint((T0326)V220.CB, (T0326)E236.CB) [> 3.8077 = 6.3461 < 8.2500] w=0.0101 to align # Constraint # added constraint: constraint((T0326)T68.CB, (T0326)L86.CB) [> 2.7103 = 4.5172 < 5.8724] w=0.0101 to align # Constraint # added constraint: constraint((T0326)I105.CB, (T0326)V167.CB) [> 4.7593 = 7.9322 < 10.3119] w=0.0101 to align # Constraint # added constraint: constraint((T0326)F140.CB, (T0326)V167.CB) [> 3.8821 = 6.4701 < 8.4112] w=0.0101 to align # Constraint # added constraint: constraint((T0326)L57.CB, (T0326)L69.CB) [> 3.3343 = 5.5572 < 7.2244] w=0.0101 to align # Constraint # added constraint: constraint((T0326)L57.CB, (T0326)T68.CB) [> 3.8785 = 6.4642 < 8.4034] w=0.0101 to align # Constraint # added constraint: constraint((T0326)I104.CB, (T0326)T232.CB) [> 4.1820 = 6.9700 < 9.0610] w=0.0101 to align # Constraint # added constraint: constraint((T0326)I104.CB, (T0326)V231.CB) [> 4.3654 = 7.2756 < 9.4583] w=0.0101 to align # Constraint # added constraint: constraint((T0326)I104.CB, (T0326)F230.CB) [> 2.4775 = 4.1292 < 5.3679] w=0.0101 to align # Constraint # added constraint: constraint((T0326)I104.CB, (T0326)I229.CB) [> 4.4439 = 7.4065 < 9.6285] w=0.0101 to align # Constraint # added constraint: constraint((T0326)F103.CB, (T0326)F230.CB) [> 4.2695 = 7.1159 < 9.2507] w=0.0101 to align # Constraint # added constraint: constraint((T0326)F103.CB, (T0326)I229.CB) [> 3.0254 = 5.0423 < 6.5550] w=0.0101 to align # Constraint # added constraint: constraint((T0326)G102.CA, (T0326)F230.CB) [> 4.5935 = 7.6558 < 9.9525] w=0.0101 to align # Constraint # added constraint: constraint((T0326)G102.CA, (T0326)I229.CB) [> 3.8991 = 6.4985 < 8.4481] w=0.0101 to align # Constraint # added constraint: constraint((T0326)E37.CB, (T0326)F103.CB) [> 4.3284 = 7.2140 < 9.3781] w=0.0101 to align # Constraint # added constraint: constraint((T0326)M23.CB, (T0326)H84.CB) [> 4.1464 = 6.9107 < 8.9839] w=0.0101 to align # Constraint # added constraint: constraint((T0326)V12.CB, (T0326)V22.CB) [> 3.6830 = 6.1384 < 7.9799] w=0.0101 to align # Constraint # added constraint: constraint((T0326)N42.CB, (T0326)E236.CB) [> 4.6092 = 7.6820 < 9.9865] w=0.0101 to align # Constraint # added constraint: constraint((T0326)L41.CB, (T0326)E236.CB) [> 4.7456 = 7.9093 < 10.2821] w=0.0101 to align # Constraint # added constraint: constraint((T0326)E37.CB, (T0326)I104.CB) [> 3.9302 = 6.5502 < 8.5153] w=0.0101 to align # Constraint # added constraint: constraint((T0326)F186.CB, (T0326)V256.CB) [> 2.7651 = 4.6085 < 5.9911] w=0.0101 to align # Constraint # added constraint: constraint((T0326)A108.CB, (T0326)E236.CB) [> 2.7534 = 4.5889 < 5.9656] w=0.0101 to align # Constraint # added constraint: constraint((T0326)G107.CA, (T0326)P235.CB) [> 3.6672 = 6.1120 < 7.9456] w=0.0101 to align # Constraint # added constraint: constraint((T0326)G107.CA, (T0326)T232.CB) [> 3.8249 = 6.3749 < 8.2874] w=0.0101 to align # Constraint # added constraint: constraint((T0326)G107.CA, (T0326)V231.CB) [> 4.7184 = 7.8639 < 10.2231] w=0.0101 to align # Constraint # added constraint: constraint((T0326)T106.CB, (T0326)P235.CB) [> 4.5522 = 7.5871 < 9.8632] w=0.0101 to align # Constraint # added constraint: constraint((T0326)T106.CB, (T0326)T232.CB) [> 3.0890 = 5.1484 < 6.6929] w=0.0101 to align # Constraint # added constraint: constraint((T0326)I105.CB, (T0326)G233.CA) [> 4.7745 = 7.9576 < 10.3449] w=0.0101 to align # Constraint # added constraint: constraint((T0326)I105.CB, (T0326)T232.CB) [> 4.4261 = 7.3769 < 9.5900] w=0.0101 to align # Constraint # added constraint: constraint((T0326)I105.CB, (T0326)V231.CB) [> 3.1389 = 5.2316 < 6.8010] w=0.0101 to align # Constraint # added constraint: constraint((T0326)S137.CB, (T0326)V220.CB) [> 2.8646 = 4.7743 < 6.2066] w=0.0101 to align # Constraint # added constraint: constraint((T0326)L58.CB, (T0326)S137.CB) [> 4.7988 = 7.9979 < 10.3973] w=0.0101 to align # Constraint # added constraint: constraint((T0326)F21.CB, (T0326)H190.CB) [> 4.6946 = 7.8243 < 10.1716] w=0.0101 to align # Constraint # added constraint: constraint((T0326)V5.CB, (T0326)L288.CB) [> 3.8955 = 6.4925 < 8.4403] w=0.0101 to align # Constraint # added constraint: constraint((T0326)I3.CB, (T0326)A280.CB) [> 4.7858 = 7.9763 < 10.3691] w=0.0101 to align # Constraint # added constraint: constraint((T0326)I3.CB, (T0326)G59.CA) [> 3.7914 = 6.3190 < 8.2147] w=0.0101 to align # Constraint # added constraint: constraint((T0326)I3.CB, (T0326)L55.CB) [> 4.0660 = 6.7767 < 8.8097] w=0.0101 to align # Constraint # added constraint: constraint((T0326)V167.CB, (T0326)G233.CA) [> 3.4767 = 5.7945 < 7.5329] w=0.0101 to align # Constraint # added constraint: constraint((T0326)V167.CB, (T0326)V231.CB) [> 3.9906 = 6.6511 < 8.6464] w=0.0101 to align # Constraint # added constraint: constraint((T0326)C142.CB, (T0326)Y168.CB) [> 2.7069 = 4.5114 < 5.8648] w=0.0101 to align # Constraint # added constraint: constraint((T0326)C142.CB, (T0326)V167.CB) [> 4.2429 = 7.0716 < 9.1930] w=0.0101 to align # Constraint # added constraint: constraint((T0326)I40.CB, (T0326)G107.CA) [> 4.4882 = 7.4804 < 9.7246] w=0.0101 to align # Constraint # added constraint: constraint((T0326)Y247.CB, (T0326)N289.CB) [> 3.5502 = 5.9170 < 7.6921] w=0.0101 to align # Constraint # added constraint: constraint((T0326)A222.CB, (T0326)Y247.CB) [> 4.2436 = 7.0726 < 9.1944] w=0.0099 to align # Constraint # added constraint: constraint((T0326)L210.CB, (T0326)T232.CB) [> 4.5188 = 7.5314 < 9.7908] w=0.0098 to align # Constraint # added constraint: constraint((T0326)Y168.CB, (T0326)L210.CB) [> 3.1012 = 5.1686 < 6.7192] w=0.0098 to align # Constraint # added constraint: constraint((T0326)A108.CB, (T0326)S137.CB) [> 4.1410 = 6.9016 < 8.9721] w=0.0056 to align # Constraint # added constraint: constraint((T0326)A16.CB, (T0326)L58.CB) [> 3.7593 = 6.2655 < 8.1451] w=0.0056 to align # Constraint # added constraint: constraint((T0326)V12.CB, (T0326)L70.CB) [> 4.0915 = 6.8192 < 8.8650] w=0.0056 to align # Constraint # added constraint: constraint((T0326)V12.CB, (T0326)L58.CB) [> 4.2567 = 7.0945 < 9.2228] w=0.0056 to align # Constraint # added constraint: constraint((T0326)M139.CB, (T0326)H190.CB) [> 2.7304 = 4.5506 < 5.9158] w=0.0056 to align # Constraint # added constraint: constraint((T0326)M139.CB, (T0326)Y168.CB) [> 4.2773 = 7.1288 < 9.2674] w=0.0056 to align # Constraint # added constraint: constraint((T0326)M139.CB, (T0326)V167.CB) [> 4.1929 = 6.9882 < 9.0846] w=0.0056 to align # Constraint # added constraint: constraint((T0326)S137.CB, (T0326)H190.CB) [> 4.0962 = 6.8270 < 8.8751] w=0.0056 to align # Constraint # added constraint: constraint((T0326)L164.CB, (T0326)A222.CB) [> 3.0581 = 5.0969 < 6.6259] w=0.0030 to align # Constraint # added constraint: constraint((T0326)V167.CB, (T0326)V220.CB) [> 4.6326 = 7.7210 < 10.0373] w=0.0030 to align # Constraint # added constraint: constraint((T0326)L15.CB, (T0326)I38.CB) [> 3.9738 = 6.6229 < 8.6098] w=0.0020 to align # Constraint # added constraint: constraint((T0326)V22.CB, (T0326)L43.CB) [> 4.1100 = 6.8500 < 8.9050] w=0.0010 to align # Constraint # added constraint: constraint((T0326)F21.CB, (T0326)Y150.CB) [> 4.7873 = 7.9787 < 10.3724] w=0.0010 to align # Constraint # added constraint: constraint((T0326)I105.CB, (T0326)K157.CB) [> 4.0633 = 6.7721 < 8.8038] w=0.0010 to align # Constraint # added constraint: constraint((T0326)F103.CB, (T0326)K157.CB) [> 3.1821 = 5.3035 < 6.8945] w=0.0010 to align # Constraint # added constraint: constraint((T0326)G102.CA, (T0326)K157.CB) [> 4.3421 = 7.2368 < 9.4079] w=0.0010 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0326/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0326/decoys/ # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 T0326 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 T0326 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 T0326 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 T0326 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 T0326 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 177 # 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 227 # 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 254 # 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 109 # 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 287 # 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 283 # 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 283 # 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 266 # 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 296 # 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 298 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 224 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 303 # 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 T0326 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 T0326 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 T0326 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 T0326 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 T0326 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 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 T0326 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 T0326 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 T0326 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 T0326 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 T0326 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 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 T0326 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 T0326 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 301 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 303 # 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 T0326 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 297 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 175 # 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 275 # 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 176 # 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 T0326 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 T0326 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 Skipped atom 454, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 456, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 458, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 460, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 1022, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 1024, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 1026, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 1028, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 Skipped atom 670, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 672, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 674, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 676, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0326 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 T0326 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 T0326 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 Skipped atom 454, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 456, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 458, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 460, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 1026, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 1028, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 1030, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 1032, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 Skipped atom 670, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 672, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 674, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 676, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz # WARNING: incomplete conformation T0326 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 T0326 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 278 # 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 303 # 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 302 # 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 303 # 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 281 # 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 T0326 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 T0326 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 Skipped atom 274, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 276, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 278, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 280, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 334, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 336, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 338, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 340, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 558, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 560, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 562, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 564, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 654, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 656, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 658, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 660, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz # WARNING: incomplete conformation T0326 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 T0326 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 295 # 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 297 # 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 298 # 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 302 # 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 300 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 267 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 224 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 224 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 T0326 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 T0326 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 T0326 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 T0326 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 172 # 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 256 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 299 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 207 # 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 191 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 272 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 191 # 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 262 # 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 303 # 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 300 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 292 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 299 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 297 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 T0326 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 T0326 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 # Found a chain break before 300 # 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 # Found a chain break before 296 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 296 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 300 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 299 # 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 # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 176 # 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 176 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 109 # 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 172 # 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 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # 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 133 # 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 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # 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 300 # 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 300 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 298 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 302 # 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 300 # 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 109 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 272 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 205 # 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 236 # 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 176 # 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 302 # 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 176 # 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 # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 T0326 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 Skipped atom 99, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz # WARNING: incomplete conformation T0326 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 T0326 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 T0326 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 T0326 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 Skipped atom 99, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz # WARNING: incomplete conformation T0326 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 T0326 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 T0326 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 Skipped atom 267, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz # WARNING: incomplete conformation T0326 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 294 # 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 T0326 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 T0326 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 T0326 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 T0326 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 282 # 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 249 # 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 238 # 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 239 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 123 # 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 188 # 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 292 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 224 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 288 # 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 286 # 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 191 # 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 T0326 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 T0326 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 T0326 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 T0326 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 Skipped atom 99, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz # WARNING: incomplete conformation T0326 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 T0326 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 288 # 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 300 # 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 297 # 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 302 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation beautshot_TS1 # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 T0326 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 T0326 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 217 # 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 245 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 239 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 239 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0326)K255.O and (T0326)V256.N only 0.000 apart, marking (T0326)V256.N as missing # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 303 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 301 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0326)A108.O and (T0326)P109.N only 0.000 apart, marking (T0326)P109.N as missing # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0326)F140.O and (T0326)I141.N only 0.000 apart, marking (T0326)I141.N as missing WARNING: atoms too close: (T0326)K295.O and (T0326)T296.N only 0.000 apart, marking (T0326)T296.N as missing # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 233 # 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 266 # 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 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 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 T0326 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 T0326 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 T0326 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: atom 1 has residue number 34 < previous residue 296 in servers/nFOLD_TS4.pdb.gz # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 WARNING: atom 1 has residue number 35 < previous residue 296 in servers/nFOLD_TS5.pdb.gz # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0326 can't currently be optimized by undertaker # naming current conformation shub_TS1 # command:Using radius: 8.0000 Using models AND alignments for constraints model score 1.4837 model score 1.4837 model score 1.4837 model score 1.4837 model score 1.4837 model score 1.4837 model score 1.4837 model score -0.2249 model score -0.2243 model score -0.2523 model score -0.2383 model score 0.5973 model score 1.6848 model score 1.4192 model score 1.7671 model score 1.6506 model score 1.7891 model score -0.2229 model score -0.2540 model score -0.2546 model score -0.2549 model score -0.2545 model score -0.2543 model score -0.2416 model score -0.2452 model score -0.2539 model score -0.2494 model score -0.2449 model score -0.1926 model score -0.1980 model score 0.5844 model score -0.1230 model score 0.3464 model score 0.8476 model score 1.2771 model score 1.2772 model score 1.2771 model score 1.2770 model score 1.2771 model score -0.2497 model score -0.2494 model score -0.2489 model score -0.2449 model score -0.2509 model score -0.2393 model score -0.2452 model score -0.2497 model score -0.2416 model score -0.2494 model score -0.2594 model score -0.2639 model score -0.2719 model score 0.2049 model score -0.2655 model score 1.2767 model score 1.2766 model score 1.2766 model score 1.2765 model score 1.2768 model score 1.2767 model score 1.2766 model score 1.2765 model score 1.2768 model score 1.2766 model score 2.5894 model score 2.6023 model score 2.2842 model score 2.5083 model score 2.4267 model score -0.2588 model score 0.1209 model score 1.1396 model score -0.0297 model score 2.4109 model score 1.2767 model score 1.2766 model score 1.2769 model score 1.2766 model score 1.2775 model score -0.2381 model score -0.2348 model score -0.2427 model score -0.2486 model score -0.1999 model score -0.2430 model score -0.2642 model score -0.2391 model score -0.2506 model score -0.2498 model score -0.2521 model score -0.2229 model score -0.2229 model score -0.2520 model score 0.1943 model score 1.3046 model score 1.2436 model score 1.2262 model score 1.5412 model score 1.4260 model score 1.5687 model score 1.4757 model score 1.4017 model score -0.2603 model score -0.1085 model score 1.6682 model score 1.7279 model score 2.0376 model score -0.2561 model score -0.0287 model score 1.7279 model score 2.0376 model score 1.3273 model score -0.2380 model score -0.2002 model score -0.2277 model score -0.2012 model score -0.2332 model score 1.5412 model score -0.2455 model score -0.2463 model score -0.2454 model score -0.2467 model score -0.2614 model score -0.2221 model score -0.2426 model score -0.2414 model score 0.0661 model score -0.2499 model score -0.2554 model score -0.2649 model score -0.2373 model score -0.2662 model score -0.2476 model score -0.0410 model score -0.2274 model score -0.2267 model score -0.2250 model score -0.2307 model score -0.2283 model score -0.2408 model score -0.2404 model score -0.2394 model score -0.2427 model score -0.2554 model score -0.2553 model score -0.2529 model score -0.1990 model score -0.2457 model score -0.1983 model score -0.0863 model score -0.0863 model score -0.1016 model score -0.0947 model score 0.0056 model score -0.2374 model score -0.2374 model score -0.1717 model score -0.0600 model score -0.1792 model score -0.2427 model score -0.2475 model score -0.2394 model score -0.2408 model score -0.2404 model score -0.2475 model score 1.2767 model score 1.2766 model score 1.2765 model score 1.2766 model score 1.2766 model score 1.2767 model score 1.2765 model score 1.2765 model score 1.2765 model score 1.2765 model score -0.1102 model score -0.2253 model score 0.0424 model score 0.1307 model score 0.2014 model score -0.2457 model score 0.0369 model score 0.0823 model score -0.0218 model score 0.0159 model score -0.2457 model score -0.0804 model score -0.1193 model score -0.0072 model score 0.0482 model score -0.2437 model score -0.1784 model score 0.0347 model score -0.0462 model score -0.1831 model score 1.2767 model score 1.2766 model score 1.2766 model score 1.2765 model score 1.2766 model score -0.2486 model score 1.2767 model score 1.2766 model score 1.2766 model score 1.2765 model score 1.2766 model score -0.2511 model score -0.2350 model score -0.2541 model score -0.2595 model score -0.2509 model score -0.1490 model score -0.2394 model score 1.2766 model score 1.2766 model score 1.2766 model score 1.2766 model score 1.2766 model score 1.2771 model score 1.2771 model score 1.8157 model score 0.1524 model score 0.0689 model score 0.1271 model score 0.1274 model score 2.0525 model score 2.0882 model score 2.3107 model score 2.1840 model score 2.0642 model score 0.1284 model score 0.0026 model score 0.3935 model score 0.7644 model score 0.4396 model score -0.2077 model score -0.1999 model score 0.3253 model score 0.2405 model score 0.3205 model score -0.2144 model score -0.2692 model score 0.1935 model score 0.0112 model score 0.3424 model score 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0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9884 eval: 0.1466 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9884 eval: 0.1466 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9884 eval: 0.1466 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9724 eval: 0.3505 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9724 eval: 0.3505 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9724 eval: 0.3505 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.5519 eval: 5.6826 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.5519 eval: 5.6826 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.5519 eval: 5.6826 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0004 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0004 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0004 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9995 eval: 0.0062 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9995 eval: 0.0062 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9995 eval: 0.0062 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.1000 eval: 11.4130 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.1000 eval: 11.4130 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.1000 eval: 11.4130 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9982 eval: 0.0233 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9982 eval: 0.0233 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9982 eval: 0.0233 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9980 eval: 0.0258 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9980 eval: 0.0258 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9980 eval: 0.0258 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9991 eval: 0.0108 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9991 eval: 0.0108 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9991 eval: 0.0108 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9999 eval: 0.0007 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9999 eval: 0.0007 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9999 eval: 0.0007 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9995 eval: 0.0065 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9995 eval: 0.0065 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9995 eval: 0.0065 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9987 eval: 0.0159 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9987 eval: 0.0159 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9987 eval: 0.0159 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9994 eval: 0.0070 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9994 eval: 0.0070 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9994 eval: 0.0070 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0005 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0005 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0005 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9996 eval: 0.0049 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9996 eval: 0.0049 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9996 eval: 0.0049 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9827 eval: 0.2200 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9827 eval: 0.2200 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9827 eval: 0.2200 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9991 eval: 0.0114 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9991 eval: 0.0114 min: 0.0000 max: 11.4130 USE_EVALUE, weight: 0.9991 eval: 0.0114 min: 0.0000 max: 11.4130 Number of contacts in models: 248 Number of contacts in alignments: 105 NUMB_ALIGNS: 105 Adding 17088 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: -541.4088, CN propb: -541.4088 weights: 0.2920 constraints: 1040 # command:Found ConstraintSet # PrintContacts align.constraints_meta03 Number of constraints in align3.constraints 1040 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta03 Number of constraints in align3.constraints.bonus 1040 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta03 Number of constraints in rejected3.constraints 16048 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta03 Number of constraints in rejected3.constraints.bonus 16048 # 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 17088 # command: