# 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/T0347/ # command:# Making conformation for sequence T0347 numbered 1 through 205 Created new target T0347 from T0347.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0347/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0347//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0347/manyalignments-good-all.under or /projects/compbio/experiments/protein-predict/casp7/T0347//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0347/manyalignments-good-all.under.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0347/manyalignments-good-all.under # reading script from file /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0347/manyalignments-good-all.under # Reading fragments from alignment file # Attempting to read fragment alignments from file 1yzsA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1yzsA expands to /projects/compbio/data/pdb/1yzs.pdb.gz 1yzsA:# T0347 read from 1yzsA/merged-good-all-a2m # 1yzsA read from 1yzsA/merged-good-all-a2m # adding 1yzsA to template set # found chain 1yzsA in template set T0347 1 :MTHIYEPRLSRIAIDKL 1yzsA 33 :IHSGRIAAVHNVPLSVL # choosing archetypes in rotamer library T0347 18 :RPTQIAVGFREVELKRKEWRETRKK 1yzsA 51 :RPLPSVLDPAKVQSLVDTIREDPDS T0347 44 :G 1yzsA 77 :P T0347 50 :NHIVPVVAGPKDRAYLID 1yzsA 78 :PIDVLWIKGAQGGDYFYS T0347 68 :HHHLVLALSKEGVEHVLTSEVA 1yzsA 98 :GCHRYAAYQQLQRETIPAKLVQ T0347 94 :LGKDEFWSVMDHR 1yzsA 120 :STLSDLRVYLGAS Number of specific fragments extracted= 6 number of extra gaps= 0 total=6 Number of alignments=1 # 1yzsA read from 1yzsA/merged-good-all-a2m # found chain 1yzsA in template set T0347 1 :MTHIYEPRLSRIAIDKL 1yzsA 33 :IHSGRIAAVHNVPLSVL T0347 18 :RPTQIAVGFREVELKRKEWRETR 1yzsA 51 :RPLPSVLDPAKVQSLVDTIREDP T0347 46 :DFLGNHIVPVVAGPKDRAYLID 1yzsA 74 :DSVPPIDVLWIKGAQGGDYFYS T0347 68 :HHHLVLALSKEGVEHVLTSEVA 1yzsA 98 :GCHRYAAYQQLQRETIPAKLVQ T0347 94 :LGKDEFWSVMDHR 1yzsA 120 :STLSDLRVYLGAS Number of specific fragments extracted= 5 number of extra gaps= 0 total=11 Number of alignments=2 # 1yzsA read from 1yzsA/merged-good-all-a2m # found chain 1yzsA in template set T0347 1 :MTHIYEPRLSRIAIDKL 1yzsA 33 :IHSGRIAAVHNVPLSVL T0347 23 :AVGFREVELKRKEWRETRKK 1yzsA 56 :VLDPAKVQSLVDTIREDPDS T0347 53 :VPVVAGPKDRAYLID 1yzsA 81 :VLWIKGAQGGDYFYS T0347 68 :HHHLVLALSKEGVEHVLTSEVA 1yzsA 98 :GCHRYAAYQQLQRETIPAKLVQ T0347 94 :LGKDEFWSVMDHR 1yzsA 120 :STLSDLRVYLGAS Number of specific fragments extracted= 5 number of extra gaps= 0 total=16 Number of alignments=3 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2c4jA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2c4jA expands to /projects/compbio/data/pdb/2c4j.pdb.gz 2c4jA:Skipped atom 120, because occupancy 0.5 <= existing 0.500 in 2c4jA Skipped atom 122, because occupancy 0.500 <= existing 0.500 in 2c4jA Skipped atom 1604, because occupancy 0.500 <= existing 0.500 in 2c4jA Skipped atom 1606, because occupancy 0.500 <= existing 0.500 in 2c4jA # T0347 read from 2c4jA/merged-good-all-a2m # 2c4jA read from 2c4jA/merged-good-all-a2m # adding 2c4jA to template set # found chain 2c4jA in template set T0347 70 :HLVLALSKE 2c4jA 15 :HSIRLLLEY T0347 79 :GVE 2c4jA 25 :DSS T0347 82 :HVLTSEVAKFSHLGKDEFW 2c4jA 29 :EEKKYTMGDAPDYDRSQWL T0347 104 :DHRNLI 2c4jA 48 :NEKFKL T0347 118 :RRQSGDIP 2c4jA 54 :GLDFPNLP T0347 134 :DPFRSLAGALRMAGGYAKV 2c4jA 72 :QSNAILRYIARKHNLCGES T0347 158 :EFGWADFLRRR 2c4jA 93 :EQIREDILENQ T0347 178 :FDDALAEAMKLAKSREA 2c4jA 104 :FMDSRMQLAKLCYDPDF Number of specific fragments extracted= 8 number of extra gaps= 0 total=24 Number of alignments=4 # 2c4jA read from 2c4jA/merged-good-all-a2m # found chain 2c4jA in template set T0347 70 :HLVLALSK 2c4jA 15 :HSIRLLLE T0347 78 :EGVE 2c4jA 24 :TDSS T0347 82 :HVLTSEVAKFSHLGKDEFW 2c4jA 29 :EEKKYTMGDAPDYDRSQWL T0347 104 :DHRN 2c4jA 48 :NEKF T0347 108 :LIYPFDAQG 2c4jA 60 :LPYLIDGTH T0347 118 :RRQ 2c4jA 69 :KIT T0347 134 :DPFRSLAGALRMAGGYAKV 2c4jA 72 :QSNAILRYIARKHNLCGES T0347 157 :SEFGWADFLRRR 2c4jA 92 :KEQIREDILENQ T0347 178 :FDDALAEAMKLAKSRE 2c4jA 104 :FMDSRMQLAKLCYDPD Number of specific fragments extracted= 9 number of extra gaps= 0 total=33 Number of alignments=5 # 2c4jA read from 2c4jA/merged-good-all-a2m # found chain 2c4jA in template set T0347 69 :HHLVLALSKEGVE 2c4jA 15 :HSIRLLLEYTDSS T0347 82 :HVLTSEVAKFSHLGKDEFW 2c4jA 29 :EEKKYTMGDAPDYDRSQWL T0347 104 :DHRN 2c4jA 48 :NEKF T0347 108 :LIYPFDAQ 2c4jA 60 :LPYLIDGT T0347 117 :LRRQ 2c4jA 68 :HKIT T0347 134 :DPFRSLAGALRMAGGYAKV 2c4jA 72 :QSNAILRYIARKHNLCGES T0347 158 :EFGWADFLRRR 2c4jA 93 :EQIREDILENQ T0347 178 :FDDALAEAMKLAKSREARHL 2c4jA 104 :FMDSRMQLAKLCYDPDFEKL Number of specific fragments extracted= 8 number of extra gaps= 0 total=41 Number of alignments=6 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2bbrA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2bbrA expands to /projects/compbio/data/pdb/2bbr.pdb.gz 2bbrA:# T0347 read from 2bbrA/merged-good-all-a2m # 2bbrA read from 2bbrA/merged-good-all-a2m # adding 2bbrA to template set # found chain 2bbrA in template set T0347 30 :ELKRKEWRETRKKDGDDFLGNHIVP 2bbrA 70 :MDLLKSRFGLSKEGAEQLLGTSFLT T0347 69 :HHLVLALSKEGV 2bbrA 96 :YRKLMVCVGEEL T0347 95 :G 2bbrA 108 :D T0347 97 :DEFWSVMDH 2bbrA 109 :SSELRALRL T0347 123 :DIPKNIHDL 2bbrA 121 :NLNPSLSTA T0347 132 :EDDPFRSLAGALRMAGGYAKVII 2bbrA 132 :ESSRFVELVLALENVGLVSPSSV T0347 159 :FGWADFLRRRIDRDLL 2bbrA 155 :SVLADMLRTLRRLDLC T0347 176 :DSFDDALAEAMKL 2bbrA 171 :QQLVEYEQQEQAR Number of specific fragments extracted= 8 number of extra gaps= 0 total=49 Number of alignments=7 # 2bbrA read from 2bbrA/merged-good-all-a2m # found chain 2bbrA in template set T0347 26 :FRE 2bbrA 70 :MDL T0347 33 :RKEWRETRKKDGDDFLGNHIVP 2bbrA 73 :LKSRFGLSKEGAEQLLGTSFLT T0347 68 :HHHLVLALSKE 2bbrA 96 :YRKLMVCVGEE T0347 94 :LG 2bbrA 107 :LD T0347 97 :DEFWSVMDH 2bbrA 109 :SSELRALRL T0347 121 :SGDIPKNIH 2bbrA 123 :NPSLSTALS T0347 132 :EDDPFRSLAGALRMAGGYAKVII 2bbrA 132 :ESSRFVELVLALENVGLVSPSSV T0347 159 :FGWADFLRRRIDRDL 2bbrA 155 :SVLADMLRTLRRLDL T0347 182 :LAEAMKLAKS 2bbrA 170 :CQQLVEYEQQ Number of specific fragments extracted= 9 number of extra gaps= 0 total=58 Number of alignments=8 # 2bbrA read from 2bbrA/merged-good-all-a2m # found chain 2bbrA in template set T0347 23 :AVGFREVELKRKEWRE 2bbrA 60 :LVEMLYVLQRMDLLKS T0347 39 :TRKKDGDDFLGNHIVP 2bbrA 79 :LSKEGAEQLLGTSFLT T0347 69 :HHLVLALSKEGVE 2bbrA 96 :YRKLMVCVGEELD T0347 96 :KDEFWSVMDHRN 2bbrA 112 :LRALRLFACNLN T0347 122 :GDIPKNIH 2bbrA 124 :PSLSTALS T0347 132 :EDDPFRSLAGALRMAGGYAKVII 2bbrA 132 :ESSRFVELVLALENVGLVSPSSV T0347 159 :FGWADFLRRR 2bbrA 155 :SVLADMLRTL T0347 177 :SFDDALAEAMKLAKSREARH 2bbrA 165 :RRLDLCQQLVEYEQQEQARY Number of specific fragments extracted= 8 number of extra gaps= 0 total=66 Number of alignments=9 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1exqA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1exqA expands to /projects/compbio/data/pdb/1exq.pdb.gz 1exqA:# T0347 read from 1exqA/merged-good-all-a2m # 1exqA read from 1exqA/merged-good-all-a2m # adding 1exqA to template set # found chain 1exqA in template set Warning: unaligning (T0347)F156 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1exqA)V151 T0347 60 :KDRAYLIDHH 1exqA 69 :EGKVILVAVH T0347 76 :SKEG 1exqA 79 :VASG T0347 85 :TSEVAKFSHLGKDEFWSVMDH 1exqA 83 :YIEAEVIPAETGQETAYFLLK T0347 106 :RNLI 1exqA 107 :RWPV T0347 110 :YPFDAQG 1exqA 114 :HTDNGSN T0347 128 :IHD 1exqA 121 :FTG T0347 137 :RSLAGALRMAGGYAKVIIP 1exqA 124 :ATVRAACDWAGIKQEDGIP T0347 162 :ADFLRRRID 1exqA 155 :NKELKKIIG T0347 172 :DLLSDSFDDALAEAMKLAKSR 1exqA 166 :RDQAEHLKTAVQMAVFIHNKK Number of specific fragments extracted= 9 number of extra gaps= 0 total=75 Number of alignments=10 # 1exqA read from 1exqA/merged-good-all-a2m # found chain 1exqA in template set Warning: unaligning (T0347)F156 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1exqA)V151 T0347 60 :KDRAYLIDHH 1exqA 69 :EGKVILVAVH T0347 78 :EGVEHVLTSEV 1exqA 79 :VASGYIEAEVI T0347 92 :SHLGKDEFWSVMDH 1exqA 90 :PAETGQETAYFLLK T0347 109 :IYPFD 1exqA 113 :IHTDN T0347 125 :PKNIHD 1exqA 118 :GSNFTG T0347 137 :RSLAGALRMAGGYAKVIIP 1exqA 124 :ATVRAACDWAGIKQEDGIP T0347 162 :ADFLRRRID 1exqA 155 :NKELKKIIG T0347 171 :RDLLSDSFDDALAEAMKLAKS 1exqA 165 :VRDQAEHLKTAVQMAVFIHNK Number of specific fragments extracted= 8 number of extra gaps= 0 total=83 Number of alignments=11 # 1exqA read from 1exqA/merged-good-all-a2m # found chain 1exqA in template set Warning: unaligning (T0347)F156 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1exqA)V151 T0347 60 :KDRAYLIDHH 1exqA 69 :EGKVILVAVH T0347 78 :EGVE 1exqA 79 :VASG T0347 85 :TSEVAKFSHLGKDEFWSVMDH 1exqA 83 :YIEAEVIPAETGQETAYFLLK T0347 107 :NLIYPFDA 1exqA 111 :KTIHTDNG T0347 126 :KNIH 1exqA 119 :SNFT T0347 137 :RSLAGALRMAGGYAKVIIP 1exqA 124 :ATVRAACDWAGIKQEDGIP T0347 162 :ADFLRRRIDR 1exqA 155 :NKELKKIIGQ T0347 172 :DLLSDSFDDALAEAMKLAKS 1exqA 166 :RDQAEHLKTAVQMAVFIHNK Number of specific fragments extracted= 8 number of extra gaps= 0 total=91 Number of alignments=12 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1xb4A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1xb4A expands to /projects/compbio/data/pdb/1xb4.pdb.gz 1xb4A:# T0347 read from 1xb4A/merged-good-all-a2m # 1xb4A read from 1xb4A/merged-good-all-a2m # adding 1xb4A to template set # found chain 1xb4A in template set Warning: unaligning (T0347)H68 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xb4A)K73 Warning: unaligning (T0347)S86 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xb4A)K73 Warning: unaligning (T0347)R119 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xb4A)T116 Warning: unaligning (T0347)G122 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xb4A)T116 T0347 32 :KRKEWRETRKKDGDDFLGNHIVPVV 1xb4A 22 :TRRQQISTWIDIISQYCKTKKIWYM T0347 58 :GPKDRA 1xb4A 47 :SVDGTV T0347 87 :EVAKFSHLGK 1xb4A 74 :NLFNNEDIQR T0347 97 :DEFWSVMDHRNLIYPFDAQGLR 1xb4A 91 :DEIWSQMTKEGKCLPIDQSGRR T0347 123 :D 1xb4A 117 :T T0347 174 :LSDSFDDALAEAMKLAKSR 1xb4A 124 :LWKSLDSWASLILQWFEDS T0347 199 :GWCG 1xb4A 143 :GKLN Number of specific fragments extracted= 7 number of extra gaps= 0 total=98 Number of alignments=13 # 1xb4A read from 1xb4A/merged-good-all-a2m # found chain 1xb4A in template set Warning: unaligning (T0347)H68 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xb4A)K73 Warning: unaligning (T0347)S86 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xb4A)K73 Warning: unaligning (T0347)R119 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xb4A)T116 Warning: unaligning (T0347)G122 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xb4A)T116 T0347 31 :LKRKEWRETRKKDGDDFLGNHIVPV 1xb4A 21 :LTRRQQISTWIDIISQYCKTKKIWY T0347 57 :AGPKDRA 1xb4A 46 :MSVDGTV T0347 87 :EVAKFSHLG 1xb4A 74 :NLFNNEDIQ T0347 96 :KDEFWSVMDHRNLIYPFDAQGLR 1xb4A 90 :IDEIWSQMTKEGKCLPIDQSGRR T0347 123 :DIP 1xb4A 117 :TTT T0347 174 :LSDSFDDALAEAMKLAKSREAR 1xb4A 124 :LWKSLDSWASLILQWFEDSGKL Number of specific fragments extracted= 6 number of extra gaps= 0 total=104 Number of alignments=14 # 1xb4A read from 1xb4A/merged-good-all-a2m # found chain 1xb4A in template set Warning: unaligning (T0347)H68 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xb4A)K73 Warning: unaligning (T0347)S86 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xb4A)K73 Warning: unaligning (T0347)R119 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xb4A)T116 Warning: unaligning (T0347)G122 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xb4A)T116 T0347 32 :KRKEWRETRKKDGDDFLGNHIVPVV 1xb4A 22 :TRRQQISTWIDIISQYCKTKKIWYM T0347 58 :GPKDRA 1xb4A 47 :SVDGTV T0347 87 :EVAKFSHL 1xb4A 74 :NLFNNEDI T0347 95 :GK 1xb4A 86 :SQ T0347 97 :DEFWSVMDHRNLIYPFDAQGLR 1xb4A 91 :DEIWSQMTKEGKCLPIDQSGRR T0347 152 :VII 1xb4A 117 :TTT T0347 174 :LSDSFDDALAEAMKLAKS 1xb4A 124 :LWKSLDSWASLILQWFED Number of specific fragments extracted= 7 number of extra gaps= 0 total=111 Number of alignments=15 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1t6t1/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0347 read from 1t6t1/merged-good-all-a2m # 1t6t1 read from 1t6t1/merged-good-all-a2m # found chain 1t6t1 in training set T0347 31 :LKRKEWRE 1t6t1 10 :EWIKELKK T0347 47 :FLGNH 1t6t1 18 :ASREA T0347 54 :PVVAGP 1t6t1 23 :VILVEG T0347 69 :HHLVLALSKEGVEHVLT 1t6t1 29 :KNDKKALSKFSIKNVID T0347 91 :FSHLGKDEFWSVMDHRN 1t6t1 46 :LSGKRYADVVDMLEGKW T0347 108 :LIYPFDAQGLR 1t6t1 67 :LLFDLDTHGER T0347 135 :PFRSLAGALRMAGG 1t6t1 78 :INQKMKELLSSQGF T0347 156 :FSEFGWADFLRRRIDRDL 1t6t1 92 :LVDENFRNFLKKWNIIHI Number of specific fragments extracted= 8 number of extra gaps= 0 total=119 Number of alignments=16 # 1t6t1 read from 1t6t1/merged-good-all-a2m # found chain 1t6t1 in training set T0347 31 :LKRKEWR 1t6t1 10 :EWIKELK T0347 46 :DFLGNHI 1t6t1 17 :KASREAV T0347 55 :VVA 1t6t1 24 :ILV T0347 67 :DHHHLVLALSKEGVEHVL 1t6t1 27 :EGKNDKKALSKFSIKNVI T0347 90 :KFSHLGKDEFWSVMDHRN 1t6t1 45 :DLSGKRYADVVDMLEGKW T0347 109 :IYPFDAQ 1t6t1 66 :ILLFDLD T0347 136 :FRSLAGALRMAGGY 1t6t1 79 :NQKMKELLSSQGFL T0347 157 :SEFGWADFLRRRIDRDLLS 1t6t1 93 :VDENFRNFLKKWNIIHIEE Number of specific fragments extracted= 8 number of extra gaps= 0 total=127 Number of alignments=17 # 1t6t1 read from 1t6t1/merged-good-all-a2m # found chain 1t6t1 in training set T0347 43 :DGDDFLGNH 1t6t1 10 :EWIKELKKA T0347 59 :PKDRAYLIDHHHLVLALSKEGVEHVL 1t6t1 19 :SREAVILVEGKNDKKALSKFSIKNVI T0347 90 :KFSHLGKDEFWSVMDHRN 1t6t1 45 :DLSGKRYADVVDMLEGKW T0347 109 :IYPFDAQ 1t6t1 66 :ILLFDLD T0347 135 :PFRSLAGALRMAGGY 1t6t1 78 :INQKMKELLSSQGFL T0347 157 :SEFGWADFLRRRIDRDL 1t6t1 93 :VDENFRNFLKKWNIIHI Number of specific fragments extracted= 6 number of extra gaps= 0 total=133 Number of alignments=18 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1q7fA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1q7fA expands to /projects/compbio/data/pdb/1q7f.pdb.gz 1q7fA:# T0347 read from 1q7fA/merged-good-all-a2m # 1q7fA read from 1q7fA/merged-good-all-a2m # adding 1q7fA to template set # found chain 1q7fA in template set T0347 52 :IVPVVAGPKDRAYLIDHH 1q7fA 960 :PIGVGINSNGEILIADNH Number of specific fragments extracted= 1 number of extra gaps= 0 total=134 # 1q7fA read from 1q7fA/merged-good-all-a2m # found chain 1q7fA in template set T0347 55 :VVAGPKDRAYLIDH 1q7fA 877 :VTVDNKGRIIVVEC T0347 105 :HRNLIYPFDAQGLRRQSGDIPKNIH 1q7fA 891 :KVMRVIIFDQNGNVLHKFGCSKHLE Number of specific fragments extracted= 2 number of extra gaps= 0 total=136 Number of alignments=19 # 1q7fA read from 1q7fA/merged-good-all-a2m # found chain 1q7fA in template set T0347 53 :VPVVAGPKDRAYLIDHH 1q7fA 961 :IGVGINSNGEILIADNH T0347 81 :EHVLTSEV 1q7fA 978 :NNFNLTIF T0347 113 :DAQGLR 1q7fA 986 :TQDGQL Number of specific fragments extracted= 3 number of extra gaps= 0 total=139 Number of alignments=20 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2a0fA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2a0fA expands to /projects/compbio/data/pdb/2a0f.pdb.gz 2a0fA:# T0347 read from 2a0fA/merged-good-all-a2m # 2a0fA read from 2a0fA/merged-good-all-a2m # adding 2a0fA to template set # found chain 2a0fA in template set T0347 68 :HHHLVLALSKEGVEHVLTSE 2a0fA 169 :VHSLTQALAKFDGNRFYFIA T0347 91 :FSHLG 2a0fA 189 :PDALA T0347 96 :KDEFWSVMDHRNLIYPFDA 2a0fA 195 :PQYILDMLDEKGIAWSLHS Number of specific fragments extracted= 3 number of extra gaps= 0 total=142 Number of alignments=21 # 2a0fA read from 2a0fA/merged-good-all-a2m # found chain 2a0fA in template set T0347 68 :HHHLVLALSKEGVEHVLTSEVAKFS 2a0fA 169 :VHSLTQALAKFDGNRFYFIAPDALA T0347 96 :KDEFWSVMDHRNLIYPFDA 2a0fA 195 :PQYILDMLDEKGIAWSLHS T0347 120 :QSGDIPKNI 2a0fA 214 :SIEEVMAEV Number of specific fragments extracted= 3 number of extra gaps= 0 total=145 Number of alignments=22 # 2a0fA read from 2a0fA/merged-good-all-a2m # found chain 2a0fA in template set T0347 19 :PTQIAVGFREVELK 2a0fA 135 :PTQTLLDLFTIQET T0347 59 :PKD 2a0fA 152 :LDN T0347 62 :RAYLIDH 2a0fA 156 :HVAMVGD T0347 69 :HHLVLALSKEGVEHVLTSEVAKFSH 2a0fA 170 :HSLTQALAKFDGNRFYFIAPDALAM T0347 96 :KDEFWSVMDHRNLIYPFD 2a0fA 195 :PQYILDMLDEKGIAWSLH Number of specific fragments extracted= 5 number of extra gaps= 0 total=150 Number of alignments=23 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1z5zA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1z5zA expands to /projects/compbio/data/pdb/1z5z.pdb.gz 1z5zA:# T0347 read from 1z5zA/merged-good-all-a2m # 1z5zA read from 1z5zA/merged-good-all-a2m # adding 1z5zA to template set # found chain 1z5zA in template set T0347 10 :SRIA 1z5zA 668 :VYCN T0347 17 :LRPTQIAVGFREVELKRKEWRETRKKDGDDFL 1z5zA 672 :LTPEQAAMYKAEVENLFNNIDSVTGIKRKGMI T0347 49 :GNHIVPVVAGP 1z5zA 746 :EGDKIAIFTQF T0347 68 :HHHLVLALSKEGVEHVLTSEVAKFSHLGKDEFWSVMDHRNLIYP 1z5zA 759 :MGKIIRNIIEKELNTEVPFLYGELSKKERDDIISKFQNNPSVKF T0347 112 :FDAQGLRRQSGDI 1z5zA 807 :VKAGGFGINLTSA Number of specific fragments extracted= 5 number of extra gaps= 0 total=155 Number of alignments=24 # 1z5zA read from 1z5zA/merged-good-all-a2m # found chain 1z5zA in template set T0347 17 :LRPTQIAVGFREVELKRKEWRETRKKDGDDFL 1z5zA 672 :LTPEQAAMYKAEVENLFNNIDSVTGIKRKGMI T0347 49 :GNHIVPVVAGP 1z5zA 746 :EGDKIAIFTQF T0347 68 :HHHLVLALSKEGVE 1z5zA 759 :MGKIIRNIIEKELN T0347 82 :HVLT 1z5zA 774 :EVPF T0347 87 :E 1z5zA 778 :L T0347 91 :FSHLGKDE 1z5zA 779 :YGELSKKE T0347 99 :FWSVMDHRNLIYP 1z5zA 790 :IISKFQNNPSVKF T0347 112 :FDAQGLRRQSGD 1z5zA 807 :VKAGGFGINLTS Number of specific fragments extracted= 8 number of extra gaps= 0 total=163 Number of alignments=25 # 1z5zA read from 1z5zA/merged-good-all-a2m # found chain 1z5zA in template set T0347 9 :LSRIA 1z5zA 667 :NVYCN T0347 17 :LRPTQIAVGFREVELKRKEWRETRKKDGDDFLGN 1z5zA 672 :LTPEQAAMYKAEVENLFNNIDSVTGIKRKGMILS T0347 59 :PKDRAYLIDHH 1z5zA 746 :EGDKIAIFTQF T0347 71 :LVLALS 1z5zA 762 :IIRNII T0347 77 :KEGVEHVLTS 1z5zA 770 :ELNTEVPFLY T0347 92 :SHLGKDE 1z5zA 780 :GELSKKE T0347 99 :FWSVMDHRN 1z5zA 790 :IISKFQNNP T0347 108 :LIYPFDAQGLRRQSG 1z5zA 803 :IVLSVKAGGFGINLT Number of specific fragments extracted= 8 number of extra gaps= 0 total=171 Number of alignments=26 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1wkaA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1wkaA expands to /projects/compbio/data/pdb/1wka.pdb.gz 1wkaA:# T0347 read from 1wkaA/merged-good-all-a2m # 1wkaA read from 1wkaA/merged-good-all-a2m # adding 1wkaA to template set # found chain 1wkaA in template set T0347 5 :YEPRLSRIA 1wkaA 205 :EGGGFIEIA T0347 14 :IDKLRPTQIAV 1wkaA 217 :PETVFADQAIA T0347 39 :TRKKDGDDFL 1wkaA 230 :PEDERYRHLL T0347 50 :NHIVPVVAGPK 1wkaA 249 :EVWIPILADPA T0347 77 :KEGVEHVL 1wkaA 261 :EKDFGTGA T0347 89 :AKFSHLGKDEFWSVMDHRN 1wkaA 269 :LKVTPAHDPLDYEIGERHG T0347 108 :LIYPFDAQGLRR 1wkaA 290 :PVSVINLEGRME T0347 121 :SGDIPKNIHDLED 1wkaA 302 :GERVPEALRGLDR T0347 135 :PFRSLAGALRMAGG 1wkaA 317 :ARRKAVELFREAGH Number of specific fragments extracted= 9 number of extra gaps= 0 total=180 Number of alignments=27 # 1wkaA read from 1wkaA/merged-good-all-a2m # found chain 1wkaA in template set T0347 4 :IYEPRLSRIA 1wkaA 204 :VEGGGFIEIA T0347 14 :IDKLRPTQIAV 1wkaA 217 :PETVFADQAIA T0347 38 :ETRKKDGDDFL 1wkaA 229 :HPEDERYRHLL T0347 49 :GNHIVPVVAGP 1wkaA 248 :TEVWIPILADP T0347 62 :RAYLIDH 1wkaA 267 :GALKVTP T0347 94 :LGKDEFWSVMDHRN 1wkaA 274 :AHDPLDYEIGERHG T0347 108 :LIYPFDAQGL 1wkaA 290 :PVSVINLEGR T0347 119 :RQSGDIPKNIHDLED 1wkaA 300 :MEGERVPEALRGLDR T0347 136 :FRSLAGALRMAGGYAK 1wkaA 318 :RRKAVELFREAGHLVK Number of specific fragments extracted= 9 number of extra gaps= 0 total=189 Number of alignments=28 # 1wkaA read from 1wkaA/merged-good-all-a2m # found chain 1wkaA in template set T0347 51 :HIVPVVAGPK 1wkaA 250 :VWIPILADPA T0347 77 :KEGVEHVLTSE 1wkaA 261 :EKDFGTGALKV T0347 92 :SHLGKDEFWSVMDHRN 1wkaA 272 :TPAHDPLDYEIGERHG T0347 108 :LIYPFDAQGL 1wkaA 290 :PVSVINLEGR T0347 119 :RQSGDIPKNIHDLE 1wkaA 300 :MEGERVPEALRGLD T0347 178 :FDDALAEAMKLAKSR 1wkaA 314 :RFEARRKAVELFREA Number of specific fragments extracted= 6 number of extra gaps= 0 total=195 Number of alignments=29 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1gs5A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0347 read from 1gs5A/merged-good-all-a2m # 1gs5A read from 1gs5A/merged-good-all-a2m # found chain 1gs5A in training set T0347 8 :RLSRIA 1gs5A 111 :KVTQLD T0347 15 :DKLRPTQIA 1gs5A 117 :EELGHVGLA T0347 39 :TRKKDGDDFLGNHIVPVV 1gs5A 128 :GSPKLINSLLENGYLPVV T0347 57 :AGPKDRAYLIDHHHLVLALSKE 1gs5A 150 :VTDEGQLMNVNADQAATALAAT T0347 79 :GVEHVLTSE 1gs5A 173 :GADLILLSD T0347 108 :LIYPFDAQGLRR 1gs5A 182 :VSGILDGKGQRI T0347 137 :RSLAGALRMAGGYAKV 1gs5A 198 :AAKAEQLIEQGIITDG T0347 156 :FSEFGWADFLRRRID 1gs5A 215 :IVKVNAALDAARTLG Number of specific fragments extracted= 8 number of extra gaps= 0 total=203 Number of alignments=30 # 1gs5A read from 1gs5A/merged-good-all-a2m # found chain 1gs5A in training set T0347 8 :RLSRIA 1gs5A 111 :KVTQLD T0347 15 :DKLRPTQIAVG 1gs5A 117 :EELGHVGLAQP T0347 39 :TRKKDGDDFLGNHIVPVV 1gs5A 128 :GSPKLINSLLENGYLPVV T0347 57 :AGPKDRAYLIDHHHLVLALSKE 1gs5A 150 :VTDEGQLMNVNADQAATALAAT T0347 79 :G 1gs5A 173 :G T0347 83 :VLTSEVAKFSH 1gs5A 174 :ADLILLSDVSG T0347 111 :PFDAQGLRRQ 1gs5A 185 :ILDGKGQRIA T0347 137 :RSLAGALRMAGGYAKV 1gs5A 198 :AAKAEQLIEQGIITDG T0347 156 :FSEFGWADFLRRRIDR 1gs5A 215 :IVKVNAALDAARTLGR Number of specific fragments extracted= 9 number of extra gaps= 0 total=212 Number of alignments=31 # 1gs5A read from 1gs5A/merged-good-all-a2m # found chain 1gs5A in training set T0347 40 :RKKDGDDFLGNHIVPVV 1gs5A 129 :SPKLINSLLENGYLPVV T0347 57 :AGPKDRAYLIDHHHLVLALSKE 1gs5A 150 :VTDEGQLMNVNADQAATALAAT T0347 79 :GV 1gs5A 173 :GA T0347 84 :LTSEVAKFS 1gs5A 175 :DLILLSDVS T0347 110 :YPFDAQGLRRQ 1gs5A 184 :GILDGKGQRIA T0347 137 :RSLAGALRMAGGYAK 1gs5A 198 :AAKAEQLIEQGIITD T0347 157 :SEFGWADFLRRR 1gs5A 216 :VKVNAALDAART Number of specific fragments extracted= 7 number of extra gaps= 0 total=219 Number of alignments=32 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2f9sA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2f9sA expands to /projects/compbio/data/pdb/2f9s.pdb.gz 2f9sA:Skipped atom 182, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 184, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 186, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 188, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 190, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 201, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 203, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 205, because occupancy 0.000 <= existing 0.000 in 2f9sA Skipped atom 207, because occupancy 0.000 <= existing 0.000 in 2f9sA Skipped atom 284, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 288, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 290, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 292, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 294, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 296, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 298, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 300, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 302, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 304, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 306, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 312, because occupancy 0.300 <= existing 0.700 in 2f9sA Skipped atom 314, because occupancy 0.300 <= existing 0.700 in 2f9sA Skipped atom 320, because occupancy 0.000 <= existing 1.000 in 2f9sA Skipped atom 322, because occupancy 0.000 <= existing 1.000 in 2f9sA Skipped atom 324, because occupancy 0.000 <= existing 1.000 in 2f9sA Skipped atom 326, because occupancy 0.000 <= existing 1.000 in 2f9sA Skipped atom 328, because occupancy 0.000 <= existing 1.000 in 2f9sA Skipped atom 357, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 359, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 361, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 363, because occupancy 0.500 <= existing 0.500 in 2f9sA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 424, because occupancy 0.200 <= existing 0.800 in 2f9sA Skipped atom 426, because occupancy 0.200 <= existing 0.800 in 2f9sA Skipped atom 428, because occupancy 0.200 <= existing 0.800 in 2f9sA Skipped atom 430, because occupancy 0.200 <= existing 0.800 in 2f9sA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 749, because occupancy 0.400 <= existing 0.600 in 2f9sA Skipped atom 751, because occupancy 0.400 <= existing 0.600 in 2f9sA Skipped atom 753, because occupancy 0.400 <= existing 0.600 in 2f9sA Skipped atom 755, because occupancy 0.400 <= existing 0.600 in 2f9sA Skipped atom 770, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 772, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 778, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 780, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 782, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 784, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 865, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 867, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 951, because occupancy 0.000 <= existing 1.000 in 2f9sA Skipped atom 953, because occupancy 0.000 <= existing 1.000 in 2f9sA Skipped atom 955, because occupancy 0.000 <= existing 1.000 in 2f9sA Skipped atom 957, because occupancy 0.000 <= existing 1.000 in 2f9sA Skipped atom 959, because occupancy 0.000 <= existing 1.000 in 2f9sA Skipped atom 970, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 972, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 974, because occupancy 0.000 <= existing 0.000 in 2f9sA Skipped atom 976, because occupancy 0.000 <= existing 0.000 in 2f9sA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 1038, because occupancy 0.000 <= existing 1.000 in 2f9sA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1040, because occupancy 0.000 <= existing 1.000 in 2f9sA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1042, because occupancy 0.000 <= existing 1.000 in 2f9sA Skipped atom 1064, because occupancy 0.500 <= existing 0.500 in 2f9sA Skipped atom 1066, because occupancy 0.500 <= existing 0.500 in 2f9sA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 1119, because occupancy 0.000 <= existing 1.000 in 2f9sA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1121, because occupancy 0.000 <= existing 1.000 in 2f9sA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1123, because occupancy 0.000 <= existing 1.000 in 2f9sA # T0347 read from 2f9sA/merged-good-all-a2m # 2f9sA read from 2f9sA/merged-good-all-a2m # adding 2f9sA to template set # found chain 2f9sA in template set T0347 8 :RLSRIAIDKLRPTQIAV 2f9sA 51 :NGKRIELSDLKGKGVFL T0347 26 :FREVELKRKEWRE 2f9sA 78 :KKEFPYMANQYKH T0347 39 :TRKKDGDDFLG 2f9sA 105 :ESKIAVHNFMK T0347 50 :NHIVPVVAGPKD 2f9sA 118 :GVNFPVVLDTDR T0347 74 :ALSKEGVEHVLTSEV 2f9sA 131 :VLDAYDVSPLPTTFL T0347 89 :AK 2f9sA 153 :VK T0347 91 :FSHLGKDEFWSVMD 2f9sA 157 :TGTMTESMIHDYMN Number of specific fragments extracted= 7 number of extra gaps= 0 total=226 Number of alignments=33 # 2f9sA read from 2f9sA/merged-good-all-a2m # found chain 2f9sA in template set T0347 8 :RLSRIAIDKLRPTQIAV 2f9sA 51 :NGKRIELSDLKGKGVFL T0347 26 :FREVELKRKEWRE 2f9sA 78 :KKEFPYMANQYKH T0347 40 :RKKDGDDFLG 2f9sA 106 :SKIAVHNFMK T0347 50 :NHIVPVVAGPKD 2f9sA 118 :GVNFPVVLDTDR T0347 75 :LSKE 2f9sA 131 :VLDA T0347 79 :GVE 2f9sA 136 :DVS T0347 82 :HVLTSEV 2f9sA 140 :LPTTFLI T0347 89 :AKFSHLGKDEFWSVMD 2f9sA 155 :VVTGTMTESMIHDYMN Number of specific fragments extracted= 8 number of extra gaps= 0 total=234 Number of alignments=34 # 2f9sA read from 2f9sA/merged-good-all-a2m # found chain 2f9sA in template set T0347 7 :PRLSRIAIDKLRP 2f9sA 50 :TNGKRIELSDLKG T0347 21 :QIAVGFREVELKRKEWR 2f9sA 76 :PCKKEFPYMANQYKHFK T0347 38 :ETRKKDGDDFLG 2f9sA 104 :GESKIAVHNFMK T0347 50 :NHIVPVVAGPKD 2f9sA 118 :GVNFPVVLDTDR T0347 73 :LALSKEGVEHVLTSEV 2f9sA 130 :QVLDAYDVSPLPTTFL T0347 89 :AKF 2f9sA 153 :VKV T0347 92 :SHLGKDEFWSVMD 2f9sA 158 :GTMTESMIHDYMN Number of specific fragments extracted= 7 number of extra gaps= 0 total=241 Number of alignments=35 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1wd5A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1wd5A expands to /projects/compbio/data/pdb/1wd5.pdb.gz 1wd5A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0347 read from 1wd5A/merged-good-all-a2m # 1wd5A read from 1wd5A/merged-good-all-a2m # adding 1wd5A to template set # found chain 1wd5A in template set T0347 28 :EVELKRKEWRETRKKDGDDFLGNHIVP 1wd5A 90 :YLEREAARQRDVLRKRAERYRRVRPKA T0347 58 :GPKDRAYLIDH 1wd5A 118 :RKGRDVVLVDD T0347 69 :HHLVLALSKEGVEHVLTSEV 1wd5A 137 :EAALSVVFQEGPRRVVVAVP T0347 96 :KDEFWSVMDHRNLIYPFDAQGLRRQSGDIPKNIHDLEDDPFRSLA 1wd5A 159 :SPEAVERLKARAEVVALSVPQDFAAVGAYYLDFGEVTDEDVEAIL Number of specific fragments extracted= 4 number of extra gaps= 0 total=245 Number of alignments=36 # 1wd5A read from 1wd5A/merged-good-all-a2m # found chain 1wd5A in template set T0347 28 :EVELKRKEWRETRKKDGDDFLGNHIVP 1wd5A 90 :YLEREAARQRDVLRKRAERYRRVRPKA T0347 57 :AGPKDRAYLIDH 1wd5A 117 :ARKGRDVVLVDD T0347 70 :HLVLALSKEGVEHVLTSEV 1wd5A 138 :AALSVVFQEGPRRVVVAVP T0347 96 :KDEFWSVMDHRNLIYPFD 1wd5A 159 :SPEAVERLKARAEVVALS T0347 124 :IPKNIHDLE 1wd5A 177 :VPQDFAAVG Number of specific fragments extracted= 5 number of extra gaps= 0 total=250 Number of alignments=37 # 1wd5A read from 1wd5A/merged-good-all-a2m # found chain 1wd5A in template set T0347 27 :REVELKRKEWRETRKKDGDDFLGNHIVP 1wd5A 89 :SYLEREAARQRDVLRKRAERYRRVRPKA T0347 57 :AGPKDRAYLIDHH 1wd5A 117 :ARKGRDVVLVDDG T0347 70 :HLVLALSKEGVEHVLTSEV 1wd5A 138 :AALSVVFQEGPRRVVVAVP T0347 96 :KDEFWSVMDHRNLIYPF 1wd5A 159 :SPEAVERLKARAEVVAL T0347 113 :DAQ 1wd5A 178 :PQD T0347 118 :RRQSGDIPKNIHDLED 1wd5A 181 :FAAVGAYYLDFGEVTD Number of specific fragments extracted= 6 number of extra gaps= 0 total=256 Number of alignments=38 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vk1A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0347 read from 1vk1A/merged-good-all-a2m # 1vk1A read from 1vk1A/merged-good-all-a2m # found chain 1vk1A in training set Warning: unaligning (T0347)L17 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vk1A)P28 Warning: unaligning (T0347)P19 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vk1A)P28 Warning: unaligning (T0347)D97 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vk1A)V113 Warning: unaligning (T0347)F99 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vk1A)V113 Warning: unaligning (T0347)A142 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vk1A)A134 Warning: unaligning (T0347)R144 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vk1A)A134 Warning: unaligning (T0347)M145 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vk1A)G137 Warning: unaligning (T0347)G147 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vk1A)G137 Warning: unaligning (T0347)E158 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vk1A)K160 Warning: unaligning (T0347)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vk1A)K160 Warning: unaligning (T0347)R171 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vk1A)E173 T0347 5 :YEPRLSRIAIDK 1vk1A 14 :KKVEYVFIELDK T0347 20 :TQIAV 1vk1A 29 :HEQLV T0347 26 :FREVELKRKEWRETR 1vk1A 34 :QRELEDFIESVTGSG T0347 50 :NHIVPVVAGPK 1vk1A 51 :WKPMLLAKIPG T0347 61 :DRAYLIDHHHLVLALSKEGVEHVLTSEV 1vk1A 63 :DEYLIVDGHHRWAGLQKLGAKRAPSVIL T0347 95 :GK 1vk1A 109 :DV T0347 100 :WSVMDHRNLIYPFDAQ 1vk1A 114 :IERLKAEGLEVIEDEK T0347 140 :AG 1vk1A 130 :AE T0347 148 :GY 1vk1A 138 :EI T0347 150 :AKV 1vk1A 146 :EKS T0347 157 :S 1vk1A 157 :E T0347 161 :WADFLRRRID 1vk1A 161 :VSKVLDEMDQ Number of specific fragments extracted= 12 number of extra gaps= 1 total=268 Number of alignments=39 # 1vk1A read from 1vk1A/merged-good-all-a2m # found chain 1vk1A in training set Warning: unaligning (T0347)L17 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vk1A)P28 Warning: unaligning (T0347)P19 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vk1A)P28 Warning: unaligning (T0347)D97 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vk1A)V113 Warning: unaligning (T0347)F99 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vk1A)V113 Warning: unaligning (T0347)A142 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vk1A)A134 Warning: unaligning (T0347)R144 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vk1A)A134 Warning: unaligning (T0347)M145 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vk1A)G137 Warning: unaligning (T0347)G147 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vk1A)G137 T0347 3 :HIYEPRLSRIAIDK 1vk1A 12 :PVKKVEYVFIELDK T0347 20 :TQIAV 1vk1A 29 :HEQLV T0347 26 :FREVELKRKEWRETR 1vk1A 34 :QRELEDFIESVTGSG T0347 50 :NHIVPVVAGPK 1vk1A 51 :WKPMLLAKIPG T0347 61 :DRAYLIDHHHLVLALSKEGVEHVLTSEV 1vk1A 63 :DEYLIVDGHHRWAGLQKLGAKRAPSVIL T0347 90 :KFS 1vk1A 98 :KVY T0347 95 :GK 1vk1A 109 :DV T0347 100 :WSVMDHRNLIYPFDAQ 1vk1A 114 :IERLKAEGLEVIEDEK T0347 140 :AG 1vk1A 130 :AE T0347 148 :GY 1vk1A 138 :EI Number of specific fragments extracted= 10 number of extra gaps= 0 total=278 Number of alignments=40 # 1vk1A read from 1vk1A/merged-good-all-a2m # found chain 1vk1A in training set Warning: unaligning (T0347)L17 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vk1A)P28 Warning: unaligning (T0347)P19 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vk1A)P28 Warning: unaligning (T0347)D97 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vk1A)V113 Warning: unaligning (T0347)F99 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vk1A)V113 Warning: unaligning (T0347)A142 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vk1A)A134 Warning: unaligning (T0347)R144 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vk1A)A134 Warning: unaligning (T0347)M145 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vk1A)G137 Warning: unaligning (T0347)G147 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vk1A)G137 Warning: unaligning (T0347)E158 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vk1A)K160 Warning: unaligning (T0347)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vk1A)K160 Warning: unaligning (T0347)R171 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vk1A)E173 T0347 5 :YEPRLSRIAIDK 1vk1A 14 :KKVEYVFIELDK T0347 20 :TQI 1vk1A 29 :HEQ T0347 24 :VGFREVELKRKEWRETR 1vk1A 32 :LVQRELEDFIESVTGSG T0347 50 :NHIVPVVAGPK 1vk1A 51 :WKPMLLAKIPG T0347 61 :DRAYLIDHHHLVLALSKEGVEHVLTSEV 1vk1A 63 :DEYLIVDGHHRWAGLQKLGAKRAPSVIL T0347 89 :AKFSHL 1vk1A 97 :VKVYTW T0347 95 :GK 1vk1A 109 :DV T0347 100 :WSVMDHRNLIYPFDAQ 1vk1A 114 :IERLKAEGLEVIEDEK T0347 140 :AG 1vk1A 130 :AE T0347 148 :GYA 1vk1A 138 :EIA T0347 151 :K 1vk1A 147 :K T0347 152 :VIIPFS 1vk1A 152 :PGGLEE T0347 161 :WADFLRRRID 1vk1A 161 :VSKVLDEMDQ Number of specific fragments extracted= 13 number of extra gaps= 1 total=291 Number of alignments=41 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3csuA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 3csuA expands to /projects/compbio/data/pdb/3csu.pdb.gz 3csuA:# T0347 read from 3csuA/merged-good-all-a2m # 3csuA read from 3csuA/merged-good-all-a2m # adding 3csuA to template set # found chain 3csuA in template set T0347 49 :GNHIVPVVAGPKDR 3csuA 153 :DNLHVAMVGDLKYG T0347 68 :HHHLVLALSK 3csuA 169 :VHSLTQALAK T0347 80 :VEHVLTSEVAKFSHLGKDEFWSVMDHRNLIY 3csuA 179 :FDGNRFYFIAPDALAMPQYILDMLDEKGIAW T0347 123 :DIPKNIHDL 3csuA 210 :SLHSSIEEV Number of specific fragments extracted= 4 number of extra gaps= 0 total=295 Number of alignments=42 # 3csuA read from 3csuA/merged-good-all-a2m # found chain 3csuA in template set T0347 12 :IAIDKLR 3csuA 10 :ISINDLS T0347 26 :FREVELKRKEWRETRKKDGDDFL 3csuA 17 :RDDLNLVLATAAKLKANPQPELL T0347 49 :GNHIVPVVAGPKDR 3csuA 153 :DNLHVAMVGDLKYG T0347 68 :HHHLVLALS 3csuA 169 :VHSLTQALA T0347 79 :GVEHVLTSEVAKFSHLGKDEFWSV 3csuA 178 :KFDGNRFYFIAPDALAMPQYILDM T0347 143 :LRMAGGYAKVIIPFSE 3csuA 202 :LDEKGIAWSLHSSIEE Number of specific fragments extracted= 6 number of extra gaps= 0 total=301 Number of alignments=43 # 3csuA read from 3csuA/merged-good-all-a2m # found chain 3csuA in template set T0347 41 :KKDGDDFLGNHIVPVVAGPKDR 3csuA 112 :ARLATEFSGNVPVLNAGDGSNQ T0347 63 :AYLIDH 3csuA 157 :VAMVGD T0347 69 :HHLVLALSK 3csuA 170 :HSLTQALAK T0347 80 :VEHVLTSEVAKFSHLGKDEFWSVMDHRNLIYPFDA 3csuA 179 :FDGNRFYFIAPDALAMPQYILDMLDEKGIAWSLHS T0347 120 :QSGDIPKNI 3csuA 214 :SIEEVMAEV Number of specific fragments extracted= 5 number of extra gaps= 0 total=306 Number of alignments=44 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1xw4X/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1xw4X expands to /projects/compbio/data/pdb/1xw4.pdb.gz 1xw4X:# T0347 read from 1xw4X/merged-good-all-a2m # 1xw4X read from 1xw4X/merged-good-all-a2m # adding 1xw4X to template set # found chain 1xw4X in template set Warning: unaligning (T0347)H68 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xw4X)H100 Warning: unaligning (T0347)H70 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xw4X)H100 T0347 1 :MTHIYEPRLSRIAIDKL 1xw4X 33 :IHSGRIAAVHNVPLSVL T0347 18 :RPTQIAVGFREVELKRKEWRETRKK 1xw4X 51 :RPLPSVLDPAKVQSLVDTIREDPDS T0347 51 :HIVP 1xw4X 77 :PPID T0347 55 :VVAGPKDRAYLID 1xw4X 83 :WIKGAQGGDYFYS T0347 71 :LVLALSKEGVEHVLTSEVAK 1xw4X 101 :RYAAYQQLQRETIPAKLVQS Number of specific fragments extracted= 5 number of extra gaps= 0 total=311 Number of alignments=45 # 1xw4X read from 1xw4X/merged-good-all-a2m # found chain 1xw4X in template set Warning: unaligning (T0347)H68 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xw4X)H100 Warning: unaligning (T0347)H70 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xw4X)H100 T0347 1 :MTHIYEPRLSRIAIDKL 1xw4X 33 :IHSGRIAAVHNVPLSVL T0347 18 :RPTQIAVGFREVELKRKEWRETR 1xw4X 51 :RPLPSVLDPAKVQSLVDTIREDP T0347 46 :DFLGNHIVPVVAGPKDRAYLID 1xw4X 74 :DSVPPIDVLWIKGAQGGDYFYS T0347 71 :LVLALSKEGVEHVLTSEVAKF 1xw4X 101 :RYAAYQQLQRETIPAKLVQST Number of specific fragments extracted= 4 number of extra gaps= 0 total=315 Number of alignments=46 # 1xw4X read from 1xw4X/merged-good-all-a2m # found chain 1xw4X in template set Warning: unaligning (T0347)H68 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xw4X)H100 Warning: unaligning (T0347)H70 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xw4X)H100 T0347 1 :MTHIYEPRLSRIAIDKL 1xw4X 33 :IHSGRIAAVHNVPLSVL T0347 22 :IAVGFREVELKRKEWRETRKK 1xw4X 55 :SVLDPAKVQSLVDTIREDPDS T0347 53 :V 1xw4X 76 :V T0347 54 :PVVAGPKDRAYLID 1xw4X 82 :LWIKGAQGGDYFYS T0347 71 :LVLALSKEGVEHVLTSEVAK 1xw4X 101 :RYAAYQQLQRETIPAKLVQS T0347 95 :GKDEFWSVM 1xw4X 121 :TLSDLRVYL Number of specific fragments extracted= 6 number of extra gaps= 0 total=321 Number of alignments=47 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1u5tC/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1u5tC expands to /projects/compbio/data/pdb/1u5t.pdb.gz 1u5tC:# T0347 read from 1u5tC/merged-good-all-a2m # 1u5tC read from 1u5tC/merged-good-all-a2m # adding 1u5tC to template set # found chain 1u5tC in template set Warning: unaligning (T0347)R62 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1u5tC)S72 Warning: unaligning (T0347)K90 because of BadResidue code BAD_PEPTIDE in next template residue (1u5tC)Q82 Warning: unaligning (T0347)F91 because of BadResidue code BAD_PEPTIDE at template residue (1u5tC)Q82 T0347 32 :KRKEWRETRKKDGDDFLGNHIVPVV 1u5tC 22 :TRRQQISTWIDIISQYCKTKKIWYM T0347 58 :GPKD 1u5tC 47 :SVDG T0347 84 :LTSEVA 1u5tC 75 :LFNNED T0347 92 :SHLGK 1u5tC 83 :RSVSQ T0347 97 :DEFWSVMDHRNLIYPFDAQGLRRQSGD 1u5tC 91 :DEIWSQMTKEGKCLPIDQSGRRSSNTT T0347 133 :DDPFRSLAGALR 1u5tC 125 :WKSLDSWASLIL T0347 145 :MAGGYAKVI 1u5tC 141 :DSGKLNQVI Number of specific fragments extracted= 7 number of extra gaps= 1 total=328 Number of alignments=48 # 1u5tC read from 1u5tC/merged-good-all-a2m # found chain 1u5tC in template set Warning: unaligning (T0347)R62 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1u5tC)S72 Warning: unaligning (T0347)H93 because of BadResidue code BAD_PEPTIDE in next template residue (1u5tC)Q82 Warning: unaligning (T0347)L94 because of BadResidue code BAD_PEPTIDE at template residue (1u5tC)Q82 T0347 31 :LKRKEWRETRKKDGDDFLGNHIVPVV 1u5tC 21 :LTRRQQISTWIDIISQYCKTKKIWYM T0347 58 :GPKD 1u5tC 47 :SVDG T0347 89 :AKFS 1u5tC 77 :NNED T0347 95 :G 1u5tC 83 :R T0347 97 :DEFWSVMDHRNLIYPFDAQGLRRQSGDI 1u5tC 91 :DEIWSQMTKEGKCLPIDQSGRRSSNTTT T0347 131 :LEDDPFRSLAGALR 1u5tC 123 :ILWKSLDSWASLIL T0347 145 :MAGGYAKVII 1u5tC 141 :DSGKLNQVIT Number of specific fragments extracted= 7 number of extra gaps= 1 total=335 Number of alignments=49 # 1u5tC read from 1u5tC/merged-good-all-a2m # found chain 1u5tC in template set Warning: unaligning (T0347)R62 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1u5tC)S72 T0347 32 :KRKEWRETRKKDGDDFLGNHIVPVVAG 1u5tC 22 :TRRQQISTWIDIISQYCKTKKIWYMSV T0347 60 :KD 1u5tC 49 :DG T0347 92 :SHLGK 1u5tC 83 :RSVSQ T0347 97 :DEFWSVMDHRNLIYPFDAQGLRRQSGDI 1u5tC 91 :DEIWSQMTKEGKCLPIDQSGRRSSNTTT T0347 175 :SD 1u5tC 119 :TR T0347 177 :SFDDALAEAMKLAK 1u5tC 127 :SLDSWASLILQWFE Number of specific fragments extracted= 6 number of extra gaps= 0 total=341 Number of alignments=50 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1st9A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0347 read from 1st9A/merged-good-all-a2m # 1st9A read from 1st9A/merged-good-all-a2m # found chain 1st9A in training set T0347 8 :RLSRIAIDKLRPTQIAV 1st9A 50 :NGKRIELSDLKGKGVFL T0347 26 :FREVELKRKEWRE 1st9A 77 :KKEFPYMANQYKH T0347 39 :TRKKDGDDFLG 1st9A 104 :ESKIAVHNFMK T0347 50 :NHIVPVVAGPKD 1st9A 117 :GVNFPVVLDTDR T0347 74 :ALSKEGVEHVLTSEV 1st9A 130 :VLDAYDVSPLPTTFL T0347 89 :AK 1st9A 152 :VK T0347 91 :FSHLGKDEFWSVMD 1st9A 156 :TGTMTESMIHDYMN Number of specific fragments extracted= 7 number of extra gaps= 0 total=348 Number of alignments=51 # 1st9A read from 1st9A/merged-good-all-a2m # found chain 1st9A in training set Warning: unaligning (T0347)Y5 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (1st9A)D48 Warning: unaligning (T0347)E6 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (1st9A)D48 T0347 7 :PRLSRIAIDKLRPTQIAV 1st9A 49 :TNGKRIELSDLKGKGVFL T0347 26 :FREVELKRKEWRE 1st9A 77 :KKEFPYMANQYKH T0347 40 :RKKDGDDFL 1st9A 105 :SKIAVHNFM T0347 50 :NHIVPVVAGPKD 1st9A 117 :GVNFPVVLDTDR T0347 75 :LSKE 1st9A 130 :VLDA T0347 79 :GVE 1st9A 135 :DVS T0347 82 :HVLTSEV 1st9A 139 :LPTTFLI T0347 89 :AKFSHLGKDEFWSVMD 1st9A 154 :VVTGTMTESMIHDYMN Number of specific fragments extracted= 8 number of extra gaps= 1 total=356 Number of alignments=52 # 1st9A read from 1st9A/merged-good-all-a2m # found chain 1st9A in training set T0347 8 :RLSRIAIDKLRP 1st9A 50 :NGKRIELSDLKG T0347 21 :QIAVGFREVELKRKEWR 1st9A 75 :PCKKEFPYMANQYKHFK T0347 38 :ETRKKDGDDFLGNH 1st9A 103 :GESKIAVHNFMKSY T0347 52 :IVPVVAGPKD 1st9A 119 :NFPVVLDTDR T0347 73 :LALSKEGVEHVLTSEV 1st9A 129 :QVLDAYDVSPLPTTFL T0347 89 :AKF 1st9A 152 :VKV T0347 92 :SHLGKDEFWSVMD 1st9A 157 :GTMTESMIHDYMN Number of specific fragments extracted= 7 number of extra gaps= 0 total=363 Number of alignments=53 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1b4pA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0347 read from 1b4pA/merged-good-all-a2m # 1b4pA read from 1b4pA/merged-good-all-a2m # found chain 1b4pA in training set Warning: unaligning (T0347)D134 because of BadResidue code BAD_PEPTIDE at template residue (1b4pA)Q71 Warning: unaligning (T0347)L139 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1b4pA)R77 Warning: unaligning (T0347)A140 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1b4pA)R77 Warning: unaligning (T0347)I169 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1b4pA)M104 Warning: unaligning (T0347)D179 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1b4pA)M104 T0347 70 :HLVLALSKE 1b4pA 14 :HPIRLLLEY T0347 79 :GVE 1b4pA 24 :DSS T0347 82 :HVLTSEVAKFSHLGKDEFWSVMDHRNL 1b4pA 28 :EEKRYAMGDAPDYDRSQWLNEKFKLGL T0347 109 :IYPFDAQ 1b4pA 60 :PYLIDGS T0347 135 :PFRS 1b4pA 72 :SNAI T0347 141 :GALRMAGGYAKV 1b4pA 78 :YLARKHHLCGET T0347 158 :EFGWADFLRRR 1b4pA 92 :ERIRVDVLENQ T0347 180 :DALAEAMKLAKSREA 1b4pA 105 :DTRLQLAMVCYSPDF Number of specific fragments extracted= 8 number of extra gaps= 3 total=371 Number of alignments=54 # 1b4pA read from 1b4pA/merged-good-all-a2m # found chain 1b4pA in training set Warning: unaligning (T0347)Q120 because of BadResidue code BAD_PEPTIDE in next template residue (1b4pA)Q71 Warning: unaligning (T0347)P135 because of BadResidue code BAD_PEPTIDE at template residue (1b4pA)Q71 Warning: unaligning (T0347)A140 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1b4pA)R77 Warning: unaligning (T0347)G141 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1b4pA)R77 Warning: unaligning (T0347)I169 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1b4pA)M104 Warning: unaligning (T0347)D179 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1b4pA)M104 T0347 69 :HHLVLALSKE 1b4pA 13 :THPIRLLLEY T0347 79 :GVE 1b4pA 24 :DSS T0347 82 :HVLTSEVAKFSHLGKDEFWSVMDHRNL 1b4pA 28 :EEKRYAMGDAPDYDRSQWLNEKFKLGL T0347 109 :IYPFDAQ 1b4pA 60 :PYLIDGS T0347 117 :LRR 1b4pA 67 :RKI T0347 136 :FRSL 1b4pA 72 :SNAI T0347 142 :ALRMAGGY 1b4pA 78 :YLARKHHL T0347 150 :AKV 1b4pA 87 :GET T0347 157 :SEFGWADFLRRR 1b4pA 91 :EERIRVDVLENQ T0347 180 :DALAEAMKLAKSRE 1b4pA 105 :DTRLQLAMVCYSPD Number of specific fragments extracted= 10 number of extra gaps= 3 total=381 Number of alignments=55 # 1b4pA read from 1b4pA/merged-good-all-a2m # found chain 1b4pA in training set Warning: unaligning (T0347)Q120 because of BadResidue code BAD_PEPTIDE in next template residue (1b4pA)Q71 Warning: unaligning (T0347)D134 because of BadResidue code BAD_PEPTIDE at template residue (1b4pA)Q71 Warning: unaligning (T0347)L139 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1b4pA)R77 Warning: unaligning (T0347)A140 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1b4pA)R77 Warning: unaligning (T0347)I169 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1b4pA)M104 Warning: unaligning (T0347)D179 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1b4pA)M104 T0347 69 :HHLVLALSKEGVE 1b4pA 14 :HPIRLLLEYTDSS T0347 82 :HVLTSEVAKFSHLGKDEFWSVMDH 1b4pA 28 :EEKRYAMGDAPDYDRSQWLNEKFK T0347 106 :RNLIYPFDAQ 1b4pA 57 :PNLPYLIDGS T0347 117 :LRR 1b4pA 67 :RKI T0347 135 :PFRS 1b4pA 72 :SNAI T0347 141 :GALRMAGGYAKV 1b4pA 78 :YLARKHHLCGET T0347 158 :EFGWADFLRRR 1b4pA 92 :ERIRVDVLENQ T0347 180 :DALAEAMKLAKSREARH 1b4pA 105 :DTRLQLAMVCYSPDFER Number of specific fragments extracted= 8 number of extra gaps= 3 total=389 Number of alignments=56 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1p3dA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0347 read from 1p3dA/merged-good-all-a2m # 1p3dA read from 1p3dA/merged-good-all-a2m # found chain 1p3dA in training set T0347 5 :YEPRLSRIAID 1p3dA 276 :PNNERINVLLN T0347 24 :VGFREVELK 1p3dA 288 :PGKHNALNA T0347 38 :ETRKKDGDDFL 1p3dA 307 :GIANEAILEAL T0347 56 :VAGPKDRAYLID 1p3dA 333 :FIRPNGKVRLVD T0347 68 :HHH 1p3dA 347 :GHH T0347 72 :VLALSKEGVEHVLTSEV 1p3dA 357 :IKAAREGWGDKRIVMIF T0347 97 :DEFWSVMDHRNLI 1p3dA 386 :DDFVQVLSQVDAL T0347 110 :YPFDAQGLRR 1p3dA 402 :DVYAAGEAPI T0347 132 :EDDPFRSLAGALRMAGGY 1p3dA 412 :VGADSKSLCRSIRNLGKV T0347 151 :KVIIPFSEFGWADFLRRRIDRD 1p3dA 430 :DPILVSDTSQLGDVLDQIIQDG Number of specific fragments extracted= 10 number of extra gaps= 0 total=399 Number of alignments=57 # 1p3dA read from 1p3dA/merged-good-all-a2m # found chain 1p3dA in training set T0347 5 :YEPRLSRIAID 1p3dA 276 :PNNERINVLLN T0347 23 :AVGFREVELK 1p3dA 287 :VPGKHNALNA T0347 38 :ETRKKDGDDFL 1p3dA 307 :GIANEAILEAL T0347 58 :GPKDRAYLID 1p3dA 335 :RPNGKVRLVD T0347 68 :HHH 1p3dA 347 :GHH T0347 71 :LVLALSKEGVEHVLTSEV 1p3dA 356 :TIKAAREGWGDKRIVMIF T0347 96 :KDEFWSVMDHRNL 1p3dA 385 :FDDFVQVLSQVDA T0347 109 :IYPFDAQGLRR 1p3dA 401 :LDVYAAGEAPI T0347 132 :EDDPFRSLAGALRMAGGYAKVII 1p3dA 412 :VGADSKSLCRSIRNLGKVDPILV T0347 156 :FSEFGWADFLRRRIDRD 1p3dA 435 :SDTSQLGDVLDQIIQDG Number of specific fragments extracted= 10 number of extra gaps= 0 total=409 Number of alignments=58 # 1p3dA read from 1p3dA/merged-good-all-a2m # found chain 1p3dA in training set T0347 40 :RKKDGDDFLGNHIV 1p3dA 309 :ANEAILEALADFQG T0347 60 :KDRAYLIDHHHLVLALSKE 1p3dA 366 :DKRIVMIFQPHRYSRTRDL T0347 96 :KDEFWSVMDHRNLIY 1p3dA 385 :FDDFVQVLSQVDALI T0347 111 :PFDAQGLR 1p3dA 403 :VYAAGEAP T0347 131 :LEDDPFRSLAGALRMAGGYAK 1p3dA 411 :IVGADSKSLCRSIRNLGKVDP T0347 152 :V 1p3dA 436 :D T0347 158 :EFGWADFLRRRIDRD 1p3dA 437 :TSQLGDVLDQIIQDG Number of specific fragments extracted= 7 number of extra gaps= 0 total=416 Number of alignments=59 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ekxA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ekxA expands to /projects/compbio/data/pdb/1ekx.pdb.gz 1ekxA:# T0347 read from 1ekxA/merged-good-all-a2m # 1ekxA read from 1ekxA/merged-good-all-a2m # adding 1ekxA to template set # found chain 1ekxA in template set T0347 12 :IAIDKLR 1ekxA 10 :ISINDLS T0347 26 :FREVELKRKEWRETRKKDGDDFL 1ekxA 17 :RDDLNLVLATAAKLKANPQPELL T0347 49 :GNHIVPVVAGPKDR 1ekxA 153 :DNLHVAMVGDLKYG T0347 68 :HHHLVLALSKEGVEHVLTS 1ekxA 169 :VHSLTQALAKFDGNRFYFI T0347 88 :VAK 1ekxA 188 :APD T0347 92 :SHLGKDEFWSVMDHRNLIYPF 1ekxA 191 :ALAMPQYILDMLDEKGIAWSL T0347 121 :SGDIPKNIHDL 1ekxA 212 :HSSIEEVMAEV Number of specific fragments extracted= 7 number of extra gaps= 0 total=423 Number of alignments=60 # 1ekxA read from 1ekxA/merged-good-all-a2m # found chain 1ekxA in template set T0347 12 :IAIDKLR 1ekxA 10 :ISINDLS T0347 26 :FREVELKRKEWRETRKKDGDDFL 1ekxA 17 :RDDLNLVLATAAKLKANPQPELL T0347 49 :GNHIVPVVAGPKDR 1ekxA 153 :DNLHVAMVGDLKYG T0347 69 :HHLVLAL 1ekxA 170 :HSLTQAL T0347 78 :EGVEHVLTSEVAKFSHLGKDEFWSVMDHRNLIYPF 1ekxA 177 :AKFDGNRFYFIAPDALAMPQYILDMLDEKGIAWSL T0347 121 :SGDIPKNIHDLE 1ekxA 212 :HSSIEEVMAEVD T0347 154 :IP 1ekxA 228 :TR T0347 166 :RRRIDRDLLSD 1ekxA 232 :KERLDPSEYAN T0347 177 :SF 1ekxA 246 :QF T0347 189 :AKSREARHLPG 1ekxA 249 :LRASDLHNAKA Number of specific fragments extracted= 10 number of extra gaps= 0 total=433 Number of alignments=61 # 1ekxA read from 1ekxA/merged-good-all-a2m # found chain 1ekxA in template set T0347 12 :IAIDKLRPTQIAVGFREVELKRKEWRE 1ekxA 10 :ISINDLSRDDLNLVLATAAKLKANPQP T0347 46 :DFLGNHIV 1ekxA 37 :ELLKHKVI T0347 59 :PKDRAYLIDH 1ekxA 153 :DNLHVAMVGD T0347 69 :HHLVLALSK 1ekxA 170 :HSLTQALAK T0347 80 :VEHVLTSEVAKFSHLGKDEFWSVMDHRNLIYPFDAQG 1ekxA 179 :FDGNRFYFIAPDALAMPQYILDMLDEKGIAWSLHSSI T0347 117 :LRRQSGDIPKNIHD 1ekxA 228 :TRVQKERLDPSEYA Number of specific fragments extracted= 6 number of extra gaps= 0 total=439 Number of alignments=62 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1xw3A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1xw3A expands to /projects/compbio/data/pdb/1xw3.pdb.gz 1xw3A:Skipped atom 133, because occupancy 0.500 <= existing 0.500 in 1xw3A Skipped atom 135, because occupancy 0.500 <= existing 0.500 in 1xw3A Skipped atom 137, because occupancy 0.500 <= existing 0.500 in 1xw3A Skipped atom 139, because occupancy 0.500 <= existing 0.500 in 1xw3A Skipped atom 141, because occupancy 0.500 <= existing 0.500 in 1xw3A Skipped atom 143, because occupancy 0.500 <= existing 0.500 in 1xw3A Skipped atom 145, because occupancy 0.500 <= existing 0.500 in 1xw3A Skipped atom 147, because occupancy 0.500 <= existing 0.500 in 1xw3A Skipped atom 766, because occupancy 0.500 <= existing 0.500 in 1xw3A Skipped atom 768, because occupancy 0.500 <= existing 0.500 in 1xw3A Skipped atom 770, because occupancy 0.500 <= existing 0.500 in 1xw3A Skipped atom 772, because occupancy 0.500 <= existing 0.500 in 1xw3A Skipped atom 774, because occupancy 0.500 <= existing 0.500 in 1xw3A Skipped atom 776, because occupancy 0.500 <= existing 0.500 in 1xw3A Skipped atom 778, because occupancy 0.500 <= existing 0.500 in 1xw3A Skipped atom 780, because occupancy 0.500 <= existing 0.500 in 1xw3A Skipped atom 782, because occupancy 0.500 <= existing 0.500 in 1xw3A Skipped atom 784, because occupancy 0.500 <= existing 0.500 in 1xw3A Skipped atom 786, because occupancy 0.500 <= existing 0.500 in 1xw3A # T0347 read from 1xw3A/merged-good-all-a2m # 1xw3A read from 1xw3A/merged-good-all-a2m # adding 1xw3A to template set # found chain 1xw3A in template set T0347 1 :MTHIYEPRLSRIAIDKL 1xw3A 33 :IHSGRIAAVHNVPLSVL T0347 18 :RPTQIAVGFREVELKRKEWRETRKK 1xw3A 51 :RPLPSVLDPAKVQSLVDTIREDPDS T0347 48 :LGNHIVPVVAGPKDRAYLID 1xw3A 76 :VPPIDVLWIKGAQGGDYFYS T0347 68 :HHHLVLALSKEGVEHVLTSEVA 1xw3A 98 :GCHRYAAYQQLQRETIPAKLVQ T0347 94 :LGKDEFWSVM 1xw3A 120 :STLSDLRVYL Number of specific fragments extracted= 5 number of extra gaps= 0 total=444 Number of alignments=63 # 1xw3A read from 1xw3A/merged-good-all-a2m # found chain 1xw3A in template set T0347 1 :MTHIYEPRLSRIAIDKL 1xw3A 33 :IHSGRIAAVHNVPLSVL T0347 18 :RPTQIAVGFREVELKRKEWRET 1xw3A 51 :RPLPSVLDPAKVQSLVDTIRED T0347 45 :DDFLGNHIVPVVAGPKDRAYLID 1xw3A 73 :PDSVPPIDVLWIKGAQGGDYFYS T0347 68 :HHHLVLALSKEGVEHVLTSEVAK 1xw3A 98 :GCHRYAAYQQLQRETIPAKLVQS T0347 95 :GKDEFWSVM 1xw3A 121 :TLSDLRVYL Number of specific fragments extracted= 5 number of extra gaps= 0 total=449 Number of alignments=64 # 1xw3A read from 1xw3A/merged-good-all-a2m # found chain 1xw3A in template set T0347 1 :MTHIYEPRLSRIAIDKL 1xw3A 33 :IHSGRIAAVHNVPLSVL T0347 23 :AVGFREVELKRKEWRETRKK 1xw3A 56 :VLDPAKVQSLVDTIREDPDS T0347 53 :VPVVAGPKDRAYLID 1xw3A 81 :VLWIKGAQGGDYFYS T0347 68 :HHHLVLALSKEGVEHVLTSEVAK 1xw3A 98 :GCHRYAAYQQLQRETIPAKLVQS T0347 95 :GKDEFWSVM 1xw3A 121 :TLSDLRVYL T0347 121 :SGDIP 1xw3A 130 :GASTP Number of specific fragments extracted= 6 number of extra gaps= 0 total=455 Number of alignments=65 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1acmA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1acmA expands to /projects/compbio/data/pdb/1acm.pdb.gz 1acmA:# T0347 read from 1acmA/merged-good-all-a2m # 1acmA read from 1acmA/merged-good-all-a2m # adding 1acmA to template set # found chain 1acmA in template set Warning: unaligning (T0347)G44 because of BadResidue code BAD_PEPTIDE in next template residue (1acmA)P36 Warning: unaligning (T0347)D45 because of BadResidue code BAD_PEPTIDE at template residue (1acmA)P36 Warning: unaligning (T0347)V88 because of BadResidue code BAD_PEPTIDE in next template residue (1acmA)P189 Warning: unaligning (T0347)A89 because of BadResidue code BAD_PEPTIDE at template residue (1acmA)P189 T0347 13 :AIDKLR 1acmA 11 :SINDLS T0347 26 :FREVELKRKEWRETRKKD 1acmA 17 :RDDLNLVLATAAKLKANP T0347 46 :DFL 1acmA 37 :ELL T0347 49 :GNHIVPVVAGPK 1acmA 153 :DNLHVAMVGDLK T0347 69 :HHLVLALSKEGVEHVL 1acmA 170 :HSLTQALAKFDGNRFY T0347 86 :SE 1acmA 186 :FI T0347 90 :KF 1acmA 190 :DA T0347 93 :HLGKDEFWSVMDHRNLIY 1acmA 192 :LAMPEYILDMLDEKGIAW Number of specific fragments extracted= 8 number of extra gaps= 2 total=463 Number of alignments=66 # 1acmA read from 1acmA/merged-good-all-a2m # found chain 1acmA in template set Warning: unaligning (T0347)G44 because of BadResidue code BAD_PEPTIDE in next template residue (1acmA)P36 Warning: unaligning (T0347)D45 because of BadResidue code BAD_PEPTIDE at template residue (1acmA)P36 Warning: unaligning (T0347)A89 because of BadResidue code BAD_PEPTIDE in next template residue (1acmA)P189 Warning: unaligning (T0347)K90 because of BadResidue code BAD_PEPTIDE at template residue (1acmA)P189 T0347 12 :IAIDKLR 1acmA 10 :ISINDLS T0347 26 :FREVELKRKEWRETRKKD 1acmA 17 :RDDLNLVLATAAKLKANP T0347 46 :DFL 1acmA 37 :ELL T0347 49 :GNHIVPVVAGPKDR 1acmA 153 :DNLHVAMVGDLKYG T0347 69 :HHLVLAL 1acmA 170 :HSLTQAL T0347 78 :EGVEHVLTSEV 1acmA 177 :AKFDGNRFYFI T0347 91 :FSHLGKDEFWSVMDHRNLIYPFD 1acmA 190 :DALAMPEYILDMLDEKGIAWSLH T0347 114 :AQG 1acmA 220 :AEV T0347 118 :RRQSGDIPKNIHDLEDDPF 1acmA 229 :RVQKERLDPSEYANVKAQF T0347 168 :RIDRDLLSDS 1acmA 248 :VLRASDLHNA Number of specific fragments extracted= 10 number of extra gaps= 2 total=473 Number of alignments=67 # 1acmA read from 1acmA/merged-good-all-a2m # found chain 1acmA in template set Warning: unaligning (T0347)R37 because of BadResidue code BAD_PEPTIDE in next template residue (1acmA)P36 Warning: unaligning (T0347)E38 because of BadResidue code BAD_PEPTIDE at template residue (1acmA)P36 Warning: unaligning (T0347)A89 because of BadResidue code BAD_PEPTIDE in next template residue (1acmA)P189 Warning: unaligning (T0347)K90 because of BadResidue code BAD_PEPTIDE at template residue (1acmA)P189 T0347 13 :AIDKLRPTQIAVGFREVELKRKEW 1acmA 11 :SINDLSRDDLNLVLATAAKLKANP T0347 46 :DFLGNHIV 1acmA 37 :ELLKHKVI T0347 59 :PKDRAYLIDH 1acmA 153 :DNLHVAMVGD T0347 69 :HHLVLALSK 1acmA 170 :HSLTQALAK T0347 80 :VEHVLTSEV 1acmA 179 :FDGNRFYFI T0347 91 :FSHLGKDEFWSVMDHRNLIYPFDA 1acmA 190 :DALAMPEYILDMLDEKGIAWSLHS T0347 118 :RRQSGDIPKNIHDLEDDPF 1acmA 229 :RVQKERLDPSEYANVKAQF T0347 168 :RIDRDLLSD 1acmA 248 :VLRASDLHN Number of specific fragments extracted= 8 number of extra gaps= 2 total=481 Number of alignments=68 # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0347//projects/compbio/experiments/protein-predict/casp7/T0347/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0347//projects/compbio/experiments/protein-predict/casp7/T0347/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0347/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0347/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((T0347)V72.CB, (T0347)V83.CB) [> 3.9654 = 6.6090 < 8.5917] w=1.0000 to align # Constraint # added constraint: constraint((T0347)L71.CB, (T0347)V83.CB) [> 4.2520 = 7.0867 < 9.2127] w=0.7101 to align # Constraint # added constraint: constraint((T0347)V29.CB, (T0347)A74.CB) [> 3.3772 = 5.6287 < 7.3173] w=0.6882 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)V88.CB) [> 3.8567 = 6.4278 < 8.3561] w=0.6834 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)E87.CB) [> 2.8362 = 4.7271 < 6.1452] w=0.6751 to align # Constraint # added constraint: constraint((T0347)W36.CB, (T0347)E78.CB) [> 4.0550 = 6.7583 < 8.7858] w=0.6710 to align # Constraint # added constraint: constraint((T0347)W36.CB, (T0347)L75.CB) [> 4.3536 = 7.2560 < 9.4328] w=0.6710 to align # Constraint # added constraint: constraint((T0347)R33.CB, (T0347)E78.CB) [> 3.8212 = 6.3687 < 8.2793] w=0.6710 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)V88.CB) [> 3.4494 = 5.7490 < 7.4737] w=0.6692 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)L65.CB) [> 3.5352 = 5.8920 < 7.6596] w=0.6596 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)Y64.CB) [> 4.3359 = 7.2265 < 9.3945] w=0.6596 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)T85.CB) [> 4.2365 = 7.0609 < 9.1792] w=0.6578 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)S86.CB) [> 4.0175 = 6.6958 < 8.7045] w=0.6351 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)T85.CB) [> 2.6785 = 4.4642 < 5.8035] w=0.6351 to align # Constraint # added constraint: constraint((T0347)S10.CB, (T0347)L84.CB) [> 4.4890 = 7.4816 < 9.7261] w=0.6294 to align # Constraint # added constraint: constraint((T0347)R11.CB, (T0347)H82.CB) [> 2.5669 = 4.2782 < 5.5617] w=0.6294 to align # Constraint # added constraint: constraint((T0347)R11.CB, (T0347)L84.CB) [> 3.6875 = 6.1459 < 7.9896] w=0.6294 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)H82.CB) [> 3.8507 = 6.4178 < 8.3431] w=0.6294 to align # Constraint # added constraint: constraint((T0347)A13.CB, (T0347)E81.CB) [> 3.7500 = 6.2499 < 8.1249] w=0.6294 to align # Constraint # added constraint: constraint((T0347)A13.CB, (T0347)H82.CB) [> 3.4340 = 5.7233 < 7.4403] w=0.6294 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)I66.CB) [> 3.8836 = 6.4726 < 8.4144] w=0.6262 to align # Constraint # added constraint: constraint((T0347)V29.CB, (T0347)K77.CB) [> 4.3877 = 7.3129 < 9.5068] w=0.6127 to align # Constraint # added constraint: constraint((T0347)I14.CB, (T0347)V72.CB) [> 4.1666 = 6.9443 < 9.0276] w=0.5927 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)E87.CB) [> 4.4151 = 7.3585 < 9.5661] w=0.5927 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)T85.CB) [> 2.7531 = 4.5884 < 5.9650] w=0.5927 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)V83.CB) [> 3.7685 = 6.2809 < 8.1651] w=0.5927 to align # Constraint # added constraint: constraint((T0347)R11.CB, (T0347)T85.CB) [> 4.5578 = 7.5963 < 9.8752] w=0.5927 to align # Constraint # added constraint: constraint((T0347)R11.CB, (T0347)V83.CB) [> 4.3225 = 7.2041 < 9.3653] w=0.5927 to align # Constraint # added constraint: constraint((T0347)S10.CB, (T0347)E87.CB) [> 3.6326 = 6.0542 < 7.8705] w=0.5927 to align # Constraint # added constraint: constraint((T0347)S10.CB, (T0347)T85.CB) [> 3.7656 = 6.2761 < 8.1589] w=0.5927 to align # Constraint # added constraint: constraint((T0347)L9.CB, (T0347)S86.CB) [> 3.3062 = 5.5103 < 7.1633] w=0.5927 to align # Constraint # added constraint: constraint((T0347)L9.CB, (T0347)T85.CB) [> 4.1336 = 6.8893 < 8.9561] w=0.5927 to align # Constraint # added constraint: constraint((T0347)L9.CB, (T0347)L84.CB) [> 3.3647 = 5.6079 < 7.2903] w=0.5927 to align # Constraint # added constraint: constraint((T0347)P7.CB, (T0347)S86.CB) [> 3.6231 = 6.0385 < 7.8501] w=0.5927 to align # Constraint # added constraint: constraint((T0347)R33.CB, (T0347)A74.CB) [> 2.7212 = 4.5353 < 5.8959] w=0.5927 to align # Constraint # added constraint: constraint((T0347)K32.CB, (T0347)A74.CB) [> 2.3490 = 3.9149 < 5.0894] w=0.5927 to align # Constraint # added constraint: constraint((T0347)V29.CB, (T0347)L73.CB) [> 3.0852 = 5.1420 < 6.6846] w=0.5927 to align # Constraint # added constraint: constraint((T0347)I14.CB, (T0347)V83.CB) [> 3.4419 = 5.7365 < 7.4574] w=0.5927 to align # Constraint # added constraint: constraint((T0347)I14.CB, (T0347)H82.CB) [> 3.9927 = 6.6546 < 8.6509] w=0.5927 to align # Constraint # added constraint: constraint((T0347)I14.CB, (T0347)V80.CB) [> 3.8950 = 6.4917 < 8.4392] w=0.5927 to align # Constraint # added constraint: constraint((T0347)I14.CB, (T0347)S76.CB) [> 3.7821 = 6.3035 < 8.1946] w=0.5927 to align # Constraint # added constraint: constraint((T0347)I14.CB, (T0347)L75.CB) [> 3.7252 = 6.2086 < 8.0712] w=0.5927 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)I66.CB) [> 2.7008 = 4.5013 < 5.8517] w=0.5920 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)L65.CB) [> 4.5119 = 7.5199 < 9.7758] w=0.5920 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)D67.CB) [> 3.4728 = 5.7879 < 7.5243] w=0.5920 to align # Constraint # added constraint: constraint((T0347)H68.CB, (T0347)T85.CB) [> 4.6172 = 7.6953 < 10.0039] w=0.5522 to align # Constraint # added constraint: constraint((T0347)I52.CB, (T0347)S86.CB) [> 3.2707 = 5.4512 < 7.0865] w=0.5299 to align # Constraint # added constraint: constraint((T0347)A140.CB, (T0347)Y149.CB) [> 4.1370 = 6.8950 < 8.9635] w=0.5292 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)V53.CB) [> 4.1268 = 6.8780 < 8.9414] w=0.5244 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)L65.CB) [> 3.5159 = 5.8599 < 7.6179] w=0.5244 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)E87.CB) [> 4.2411 = 7.0686 < 9.1891] w=0.5137 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)D67.CB) [> 3.8897 = 6.4828 < 8.4277] w=0.4903 to align # Constraint # added constraint: constraint((T0347)V29.CB, (T0347)H70.CB) [> 3.1590 = 5.2649 < 6.8444] w=0.4903 to align # Constraint # added constraint: constraint((T0347)E28.CB, (T0347)H70.CB) [> 3.0213 = 5.0354 < 6.5461] w=0.4903 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)H70.CB) [> 3.7971 = 6.3285 < 8.2271] w=0.4903 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)A89.CB) [> 3.3788 = 5.6314 < 7.3208] w=0.4886 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)L73.CB) [> 3.3709 = 5.6181 < 7.3035] w=0.4762 to align # Constraint # added constraint: constraint((T0347)L17.CB, (T0347)L65.CB) [> 3.4610 = 5.7683 < 7.4988] w=0.4546 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)L65.CB) [> 3.6852 = 6.1420 < 7.9846] w=0.4546 to align # Constraint # added constraint: constraint((T0347)I52.CB, (T0347)T85.CB) [> 4.0134 = 6.6890 < 8.6957] w=0.4534 to align # Constraint # added constraint: constraint((T0347)D67.CB, (T0347)T85.CB) [> 4.4256 = 7.3759 < 9.5887] w=0.4489 to align # Constraint # added constraint: constraint((T0347)K32.CB, (T0347)L48.CB) [> 3.9130 = 6.5216 < 8.4781] w=0.4317 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)F99.CB) [> 3.6465 = 6.0774 < 7.9007] w=0.4279 to align # Constraint # added constraint: constraint((T0347)P7.CB, (T0347)E87.CB) [> 4.0603 = 6.7672 < 8.7973] w=0.4179 to align # Constraint # added constraint: constraint((T0347)P7.CB, (T0347)V88.CB) [> 3.2989 = 5.4981 < 7.1475] w=0.4179 to align # Constraint # added constraint: constraint((T0347)L17.CB, (T0347)D67.CB) [> 2.8507 = 4.7511 < 6.1764] w=0.4179 to align # Constraint # added constraint: constraint((T0347)L17.CB, (T0347)V72.CB) [> 4.4404 = 7.4006 < 9.6208] w=0.4179 to align # Constraint # added constraint: constraint((T0347)L17.CB, (T0347)V83.CB) [> 4.6484 = 7.7473 < 10.0714] w=0.4179 to align # Constraint # added constraint: constraint((T0347)W36.CB, (T0347)L48.CB) [> 3.8916 = 6.4861 < 8.4319] w=0.4161 to align # Constraint # added constraint: constraint((T0347)V83.CB, (T0347)L108.CB) [> 3.7782 = 6.2969 < 8.1860] w=0.4140 to align # Constraint # added constraint: constraint((T0347)A63.CB, (T0347)E87.CB) [> 4.2610 = 7.1017 < 9.2322] w=0.4098 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)I66.CB) [> 4.3483 = 7.2472 < 9.4213] w=0.4038 to align # Constraint # added constraint: constraint((T0347)G58.CA, (T0347)K96.CB) [> 4.5229 = 7.5381 < 9.7996] w=0.3996 to align # Constraint # added constraint: constraint((T0347)I66.CB, (T0347)V102.CB) [> 4.3453 = 7.2421 < 9.4148] w=0.3863 to align # Constraint # added constraint: constraint((T0347)I66.CB, (T0347)F99.CB) [> 3.8926 = 6.4876 < 8.4339] w=0.3863 to align # Constraint # added constraint: constraint((T0347)H51.CB, (T0347)H68.CB) [> 3.1016 = 5.1694 < 6.7202] w=0.3851 to align # Constraint # added constraint: constraint((T0347)I52.CB, (T0347)H68.CB) [> 4.3267 = 7.2112 < 9.3745] w=0.3851 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)V88.CB) [> 3.3880 = 5.6467 < 7.3407] w=0.3792 to align # Constraint # added constraint: constraint((T0347)M103.CB, (T0347)L143.CB) [> 3.9941 = 6.6568 < 8.6539] w=0.3783 to align # Constraint # added constraint: constraint((T0347)F99.CB, (T0347)L139.CB) [> 3.7521 = 6.2535 < 8.1295] w=0.3783 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)T85.CB) [> 3.8525 = 6.4209 < 8.3471] w=0.3758 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)H70.CB) [> 4.2457 = 7.0761 < 9.1990] w=0.3737 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)H69.CB) [> 3.8917 = 6.4861 < 8.4319] w=0.3737 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)H68.CB) [> 3.4647 = 5.7745 < 7.5068] w=0.3703 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)I109.CB) [> 3.7955 = 6.3258 < 8.2235] w=0.3541 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)I109.CB) [> 3.8013 = 6.3355 < 8.2361] w=0.3528 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)L108.CB) [> 3.7105 = 6.1841 < 8.0393] w=0.3516 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)L108.CB) [> 3.9857 = 6.6429 < 8.6358] w=0.3516 to align # Constraint # added constraint: constraint((T0347)D104.CB, (T0347)A146.CB) [> 3.7199 = 6.1998 < 8.0598] w=0.3511 to align # Constraint # added constraint: constraint((T0347)W100.CB, (T0347)A142.CB) [> 3.0782 = 5.1303 < 6.6694] w=0.3511 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)E87.CB) [> 3.3113 = 5.5189 < 7.1746] w=0.3496 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)V88.CB) [> 3.8621 = 6.4369 < 8.3680] w=0.3496 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)E98.CB) [> 3.9778 = 6.6296 < 8.6185] w=0.3496 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)F99.CB) [> 3.9910 = 6.6517 < 8.6472] w=0.3496 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)K96.CB) [> 3.8769 = 6.4615 < 8.3999] w=0.3496 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)L65.CB) [> 4.5508 = 7.5847 < 9.8601] w=0.3449 to align # Constraint # added constraint: constraint((T0347)I52.CB, (T0347)L84.CB) [> 3.1496 = 5.2494 < 6.8242] w=0.3446 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)L84.CB) [> 4.2346 = 7.0577 < 9.1749] w=0.3396 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)P111.CB) [> 4.4788 = 7.4647 < 9.7041] w=0.3342 to align # Constraint # added constraint: constraint((T0347)K96.CB, (T0347)L139.CB) [> 3.8478 = 6.4130 < 8.3369] w=0.3314 to align # Constraint # added constraint: constraint((T0347)S10.CB, (T0347)S86.CB) [> 4.7430 = 7.9050 < 10.2765] w=0.3282 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)F99.CB) [> 3.8961 = 6.4935 < 8.4415] w=0.3205 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)V102.CB) [> 4.0641 = 6.7735 < 8.8055] w=0.3205 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)M103.CB) [> 2.7738 = 4.6230 < 6.0098] w=0.3205 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)R106.CB) [> 4.0359 = 6.7264 < 8.7444] w=0.3205 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)L108.CB) [> 3.5271 = 5.8785 < 7.6420] w=0.3205 to align # Constraint # added constraint: constraint((T0347)D45.CB, (T0347)L108.CB) [> 3.5617 = 5.9361 < 7.7169] w=0.3205 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)Y110.CB) [> 4.1893 = 6.9822 < 9.0768] w=0.3201 to align # Constraint # added constraint: constraint((T0347)A63.CB, (T0347)T85.CB) [> 4.3670 = 7.2784 < 9.4619] w=0.3169 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)R119.CB) [> 4.0909 = 6.8181 < 8.8635] w=0.3162 to align # Constraint # added constraint: constraint((T0347)W100.CB, (T0347)L139.CB) [> 3.6623 = 6.1039 < 7.9351] w=0.3154 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)Y110.CB) [> 3.3917 = 5.6528 < 7.3486] w=0.3143 to align # Constraint # added constraint: constraint((T0347)D113.CB, (T0347)I124.CB) [> 3.6449 = 6.0749 < 7.8974] w=0.3122 to align # Constraint # added constraint: constraint((T0347)T20.CB, (T0347)L65.CB) [> 3.5959 = 5.9932 < 7.7912] w=0.3104 to align # Constraint # added constraint: constraint((T0347)Y149.CB, (T0347)F159.CB) [> 4.1174 = 6.8623 < 8.9210] w=0.3100 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)L84.CB) [> 4.2789 = 7.1315 < 9.2709] w=0.3089 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)S86.CB) [> 2.9981 = 4.9969 < 6.4960] w=0.3055 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)V83.CB) [> 3.3525 = 5.5875 < 7.2638] w=0.3055 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)I124.CB) [> 2.8974 = 4.8290 < 6.2777] w=0.3045 to align # Constraint # added constraint: constraint((T0347)K96.CB, (T0347)S138.CB) [> 3.6181 = 6.0301 < 7.8392] w=0.3042 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)T85.CB) [> 4.2945 = 7.1575 < 9.3048] w=0.2996 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)L71.CB) [> 3.7076 = 6.1793 < 8.0331] w=0.2976 to align # Constraint # added constraint: constraint((T0347)K60.CB, (T0347)A89.CB) [> 4.3089 = 7.1814 < 9.3359] w=0.2913 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)F99.CB) [> 3.2973 = 5.4954 < 7.1441] w=0.2836 to align # Constraint # added constraint: constraint((T0347)A23.CB, (T0347)H69.CB) [> 3.7628 = 6.2714 < 8.1528] w=0.2786 to align # Constraint # added constraint: constraint((T0347)P19.CB, (T0347)I66.CB) [> 4.2989 = 7.1648 < 9.3142] w=0.2786 to align # Constraint # added constraint: constraint((T0347)R18.CB, (T0347)V72.CB) [> 4.4182 = 7.3637 < 9.5728] w=0.2786 to align # Constraint # added constraint: constraint((T0347)R18.CB, (T0347)D67.CB) [> 3.2684 = 5.4473 < 7.0815] w=0.2786 to align # Constraint # added constraint: constraint((T0347)T20.CB, (T0347)Y64.CB) [> 3.9371 = 6.5618 < 8.5303] w=0.2737 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)S86.CB) [> 4.1447 = 6.9078 < 8.9802] w=0.2713 to align # Constraint # added constraint: constraint((T0347)A140.CB, (T0347)F159.CB) [> 3.5819 = 5.9698 < 7.7607] w=0.2657 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)V72.CB) [> 4.0976 = 6.8293 < 8.8781] w=0.2655 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)T85.CB) [> 3.1958 = 5.3263 < 6.9242] w=0.2655 to align # Constraint # added constraint: constraint((T0347)L9.CB, (T0347)E87.CB) [> 4.5904 = 7.6507 < 9.9459] w=0.2645 to align # Constraint # added constraint: constraint((T0347)D15.CB, (T0347)E81.CB) [> 4.7474 = 7.9124 < 10.2861] w=0.2645 to align # Constraint # added constraint: constraint((T0347)G44.CA, (T0347)V55.CB) [> 4.3593 = 7.2655 < 9.4451] w=0.2637 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)Y110.CB) [> 3.6277 = 6.0461 < 7.8600] w=0.2636 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)Q120.CB) [> 4.0494 = 6.7490 < 8.7736] w=0.2567 to align # Constraint # added constraint: constraint((T0347)G44.CA, (T0347)A57.CB) [> 4.6559 = 7.7598 < 10.0877] w=0.2472 to align # Constraint # added constraint: constraint((T0347)A57.CB, (T0347)A89.CB) [> 4.4531 = 7.4219 < 9.6485] w=0.2469 to align # Constraint # added constraint: constraint((T0347)L9.CB, (T0347)N50.CB) [> 3.0980 = 5.1633 < 6.7122] w=0.2445 to align # Constraint # added constraint: constraint((T0347)N50.CB, (T0347)L84.CB) [> 2.5049 = 4.1749 < 5.4274] w=0.2445 to align # Constraint # added constraint: constraint((T0347)H51.CB, (T0347)D67.CB) [> 3.9160 = 6.5267 < 8.4847] w=0.2445 to align # Constraint # added constraint: constraint((T0347)I52.CB, (T0347)V88.CB) [> 3.7246 = 6.2078 < 8.0701] w=0.2445 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)S86.CB) [> 3.9757 = 6.6262 < 8.6140] w=0.2399 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)S86.CB) [> 3.4748 = 5.7914 < 7.5289] w=0.2399 to align # Constraint # added constraint: constraint((T0347)H68.CB, (T0347)V83.CB) [> 4.0710 = 6.7850 < 8.8205] w=0.2392 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)L108.CB) [> 4.0133 = 6.6889 < 8.6956] w=0.2387 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)E87.CB) [> 4.3344 = 7.2239 < 9.3911] w=0.2372 to align # Constraint # added constraint: constraint((T0347)A63.CB, (T0347)V88.CB) [> 3.5334 = 5.8891 < 7.6558] w=0.2350 to align # Constraint # added constraint: constraint((T0347)R62.CB, (T0347)E87.CB) [> 2.8626 = 4.7710 < 6.2023] w=0.2350 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)F99.CB) [> 3.8456 = 6.4093 < 8.3322] w=0.2341 to align # Constraint # added constraint: constraint((T0347)V83.CB, (T0347)P111.CB) [> 4.1420 = 6.9033 < 8.9743] w=0.2312 to align # Constraint # added constraint: constraint((T0347)L71.CB, (T0347)P111.CB) [> 4.5195 = 7.5324 < 9.7922] w=0.2306 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)P111.CB) [> 3.7288 = 6.2146 < 8.0790] w=0.2295 to align # Constraint # added constraint: constraint((T0347)R168.CB, (T0347)A181.CB) [> 3.9811 = 6.6352 < 8.6257] w=0.2259 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)A89.CB) [> 4.4772 = 7.4621 < 9.7007] w=0.2241 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)L165.CB) [> 3.8474 = 6.4123 < 8.3360] w=0.2237 to align # Constraint # added constraint: constraint((T0347)I128.CB, (T0347)L139.CB) [> 3.5638 = 5.9397 < 7.7216] w=0.2208 to align # Constraint # added constraint: constraint((T0347)D61.CB, (T0347)K90.CB) [> 3.8963 = 6.4938 < 8.4420] w=0.2206 to align # Constraint # added constraint: constraint((T0347)N107.CB, (T0347)S177.CB) [> 4.4197 = 7.3662 < 9.5760] w=0.2206 to align # Constraint # added constraint: constraint((T0347)R118.CB, (T0347)P135.CB) [> 3.5797 = 5.9661 < 7.7560] w=0.2166 to align # Constraint # added constraint: constraint((T0347)A23.CB, (T0347)L73.CB) [> 3.9287 = 6.5478 < 8.5121] w=0.2154 to align # Constraint # added constraint: constraint((T0347)A23.CB, (T0347)H70.CB) [> 3.2966 = 5.4944 < 7.1427] w=0.2154 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)L94.CB) [> 3.7743 = 6.2906 < 8.1777] w=0.2148 to align # Constraint # added constraint: constraint((T0347)A63.CB, (T0347)L84.CB) [> 4.2224 = 7.0373 < 9.1485] w=0.2146 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)F99.CB) [> 3.6523 = 6.0872 < 7.9134] w=0.2138 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)P111.CB) [> 3.6733 = 6.1222 < 7.9588] w=0.2128 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)A63.CB) [> 3.7663 = 6.2772 < 8.1603] w=0.2115 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)F136.CB) [> 3.0322 = 5.0537 < 6.5698] w=0.2112 to align # Constraint # added constraint: constraint((T0347)K96.CB, (T0347)A142.CB) [> 3.7199 = 6.1998 < 8.0598] w=0.2112 to align # Constraint # added constraint: constraint((T0347)I22.CB, (T0347)V72.CB) [> 4.3397 = 7.2329 < 9.4028] w=0.2105 to align # Constraint # added constraint: constraint((T0347)I22.CB, (T0347)L73.CB) [> 3.9427 = 6.5712 < 8.5426] w=0.2105 to align # Constraint # added constraint: constraint((T0347)I52.CB, (T0347)D67.CB) [> 4.7615 = 7.9359 < 10.3166] w=0.2103 to align # Constraint # added constraint: constraint((T0347)I22.CB, (T0347)H69.CB) [> 2.5230 = 4.2050 < 5.4665] w=0.2103 to align # Constraint # added constraint: constraint((T0347)P19.CB, (T0347)M103.CB) [> 4.1023 = 6.8372 < 8.8884] w=0.2103 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)Y110.CB) [> 4.2646 = 7.1077 < 9.2400] w=0.2096 to align # Constraint # added constraint: constraint((T0347)L9.CB, (T0347)I52.CB) [> 2.9807 = 4.9678 < 6.4581] w=0.2090 to align # Constraint # added constraint: constraint((T0347)V83.CB, (T0347)I109.CB) [> 4.1302 = 6.8837 < 8.9488] w=0.2069 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)R106.CB) [> 3.6016 = 6.0027 < 7.8035] w=0.2069 to align # Constraint # added constraint: constraint((T0347)V83.CB, (T0347)N107.CB) [> 2.8000 = 4.6667 < 6.0667] w=0.2069 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)N107.CB) [> 3.6835 = 6.1392 < 7.9810] w=0.2069 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)N107.CB) [> 3.5389 = 5.8981 < 7.6676] w=0.2069 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)I109.CB) [> 4.4152 = 7.3587 < 9.5663] w=0.2069 to align # Constraint # added constraint: constraint((T0347)S76.CB, (T0347)L165.CB) [> 3.5763 = 5.9605 < 7.7487] w=0.2028 to align # Constraint # added constraint: constraint((T0347)Q21.CB, (T0347)M103.CB) [> 3.9769 = 6.6281 < 8.6165] w=0.2002 to align # Constraint # added constraint: constraint((T0347)A150.CB, (T0347)A162.CB) [> 2.5338 = 4.2230 < 5.4899] w=0.1987 to align # Constraint # added constraint: constraint((T0347)R168.CB, (T0347)D180.CB) [> 3.3408 = 5.5680 < 7.2383] w=0.1987 to align # Constraint # added constraint: constraint((T0347)M103.CB, (T0347)S121.CB) [> 3.5729 = 5.9549 < 7.7413] w=0.1986 to align # Constraint # added constraint: constraint((T0347)W100.CB, (T0347)S121.CB) [> 4.1314 = 6.8856 < 8.9513] w=0.1986 to align # Constraint # added constraint: constraint((T0347)V102.CB, (T0347)R168.CB) [> 3.8324 = 6.3874 < 8.3036] w=0.1983 to align # Constraint # added constraint: constraint((T0347)M103.CB, (T0347)F164.CB) [> 3.4274 = 5.7123 < 7.4261] w=0.1983 to align # Constraint # added constraint: constraint((T0347)L48.CB, (T0347)L71.CB) [> 3.9269 = 6.5448 < 8.5083] w=0.1933 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)V72.CB) [> 3.8054 = 6.3422 < 8.2449] w=0.1929 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)I109.CB) [> 4.5295 = 7.5492 < 9.8140] w=0.1920 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)P54.CB) [> 3.7724 = 6.2873 < 8.1735] w=0.1903 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)V56.CB) [> 3.2245 = 5.3742 < 6.9865] w=0.1903 to align # Constraint # added constraint: constraint((T0347)E28.CB, (T0347)L94.CB) [> 3.4574 = 5.7623 < 7.4910] w=0.1903 to align # Constraint # added constraint: constraint((T0347)E28.CB, (T0347)F99.CB) [> 3.9603 = 6.6006 < 8.5807] w=0.1903 to align # Constraint # added constraint: constraint((T0347)R33.CB, (T0347)V53.CB) [> 3.7644 = 6.2741 < 8.1563] w=0.1903 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)A57.CB) [> 4.0801 = 6.8001 < 8.8402] w=0.1903 to align # Constraint # added constraint: constraint((T0347)G58.CA, (T0347)L75.CB) [> 3.8768 = 6.4613 < 8.3997] w=0.1903 to align # Constraint # added constraint: constraint((T0347)D67.CB, (T0347)E87.CB) [> 3.1012 = 5.1686 < 6.7192] w=0.1891 to align # Constraint # added constraint: constraint((T0347)L73.CB, (T0347)V102.CB) [> 4.1606 = 6.9343 < 9.0146] w=0.1872 to align # Constraint # added constraint: constraint((T0347)L73.CB, (T0347)F99.CB) [> 4.1092 = 6.8486 < 8.9032] w=0.1872 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)F99.CB) [> 3.3913 = 5.6522 < 7.3478] w=0.1872 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)K96.CB) [> 4.1698 = 6.9496 < 9.0345] w=0.1872 to align # Constraint # added constraint: constraint((T0347)R119.CB, (T0347)L139.CB) [> 4.4500 = 7.4167 < 9.6417] w=0.1853 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)L143.CB) [> 4.7136 = 7.8560 < 10.2128] w=0.1853 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)E78.CB) [> 3.0346 = 5.0576 < 6.5749] w=0.1850 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)P111.CB) [> 3.5189 = 5.8648 < 7.6242] w=0.1813 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)F112.CB) [> 3.5456 = 5.9093 < 7.6821] w=0.1813 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)F99.CB) [> 3.7885 = 6.3141 < 8.2084] w=0.1812 to align # Constraint # added constraint: constraint((T0347)L73.CB, (T0347)V83.CB) [> 4.1717 = 6.9528 < 9.0387] w=0.1806 to align # Constraint # added constraint: constraint((T0347)A57.CB, (T0347)E87.CB) [> 4.1681 = 6.9469 < 9.0310] w=0.1806 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)P135.CB) [> 3.6999 = 6.1664 < 8.0163] w=0.1799 to align # Constraint # added constraint: constraint((T0347)R119.CB, (T0347)E132.CB) [> 3.9890 = 6.6483 < 8.6428] w=0.1789 to align # Constraint # added constraint: constraint((T0347)F91.CB, (T0347)F112.CB) [> 4.2620 = 7.1034 < 9.2344] w=0.1772 to align # Constraint # added constraint: constraint((T0347)K16.CB, (T0347)R62.CB) [> 3.0768 = 5.1280 < 6.6664] w=0.1748 to align # Constraint # added constraint: constraint((T0347)Q21.CB, (T0347)H69.CB) [> 3.6212 = 6.0353 < 7.8460] w=0.1748 to align # Constraint # added constraint: constraint((T0347)D113.CB, (T0347)A140.CB) [> 2.6171 = 4.3618 < 5.6704] w=0.1748 to align # Constraint # added constraint: constraint((T0347)A57.CB, (T0347)V72.CB) [> 3.7603 = 6.2672 < 8.1474] w=0.1746 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)V88.CB) [> 3.9915 = 6.6526 < 8.6483] w=0.1746 to align # Constraint # added constraint: constraint((T0347)A23.CB, (T0347)K32.CB) [> 4.5876 = 7.6459 < 9.9397] w=0.1738 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)S121.CB) [> 3.3519 = 5.5865 < 7.2624] w=0.1718 to align # Constraint # added constraint: constraint((T0347)G44.CA, (T0347)V88.CB) [> 3.8225 = 6.3709 < 8.2822] w=0.1706 to align # Constraint # added constraint: constraint((T0347)N107.CB, (T0347)L174.CB) [> 4.0012 = 6.6687 < 8.6693] w=0.1706 to align # Constraint # added constraint: constraint((T0347)L108.CB, (T0347)L174.CB) [> 3.4227 = 5.7046 < 7.4159] w=0.1706 to align # Constraint # added constraint: constraint((T0347)I109.CB, (T0347)L174.CB) [> 3.6601 = 6.1002 < 7.9302] w=0.1706 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)F178.CB) [> 4.5922 = 7.6536 < 9.9497] w=0.1706 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)A142.CB) [> 4.6245 = 7.7075 < 10.0197] w=0.1695 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)F99.CB) [> 4.2417 = 7.0695 < 9.1903] w=0.1687 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)Y110.CB) [> 3.6907 = 6.1512 < 7.9966] w=0.1677 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)I109.CB) [> 3.4055 = 5.6759 < 7.3786] w=0.1677 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)I109.CB) [> 4.0931 = 6.8218 < 8.8683] w=0.1677 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)L84.CB) [> 3.3610 = 5.6017 < 7.2822] w=0.1663 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)V83.CB) [> 4.1850 = 6.9750 < 9.0675] w=0.1663 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)L84.CB) [> 4.0180 = 6.6967 < 8.7057] w=0.1663 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)V102.CB) [> 3.8674 = 6.4457 < 8.3794] w=0.1656 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)Q120.CB) [> 4.1157 = 6.8596 < 8.9174] w=0.1653 to align # Constraint # added constraint: constraint((T0347)D67.CB, (T0347)I109.CB) [> 4.2618 = 7.1029 < 9.2338] w=0.1652 to align # Constraint # added constraint: constraint((T0347)R119.CB, (T0347)D134.CB) [> 2.9019 = 4.8365 < 6.2874] w=0.1639 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)D113.CB) [> 3.4437 = 5.7395 < 7.4613] w=0.1629 to align # Constraint # added constraint: constraint((T0347)V80.CB, (T0347)A142.CB) [> 4.2243 = 7.0405 < 9.1526] w=0.1617 to align # Constraint # added constraint: constraint((T0347)Y149.CB, (T0347)A162.CB) [> 4.1887 = 6.9811 < 9.0755] w=0.1617 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)I109.CB) [> 3.9559 = 6.5931 < 8.5710] w=0.1600 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)V102.CB) [> 3.2690 = 5.4483 < 7.0829] w=0.1578 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)V102.CB) [> 4.2549 = 7.0915 < 9.2189] w=0.1578 to align # Constraint # added constraint: constraint((T0347)L117.CB, (T0347)L131.CB) [> 3.9860 = 6.6434 < 8.6364] w=0.1570 to align # Constraint # added constraint: constraint((T0347)F112.CB, (T0347)I124.CB) [> 3.8767 = 6.4612 < 8.3996] w=0.1568 to align # Constraint # added constraint: constraint((T0347)I109.CB, (T0347)L143.CB) [> 4.3521 = 7.2535 < 9.4295] w=0.1558 to align # Constraint # added constraint: constraint((T0347)I128.CB, (T0347)A142.CB) [> 3.9144 = 6.5240 < 8.4812] w=0.1551 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)V102.CB) [> 4.5797 = 7.6328 < 9.9226] w=0.1534 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)V83.CB) [> 4.1886 = 6.9809 < 9.0752] w=0.1522 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)I109.CB) [> 3.6331 = 6.0551 < 7.8717] w=0.1514 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)P111.CB) [> 4.0788 = 6.7980 < 8.8374] w=0.1502 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)I109.CB) [> 4.6830 = 7.8050 < 10.1466] w=0.1498 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)I153.CB) [> 3.1326 = 5.2209 < 6.7872] w=0.1498 to align # Constraint # added constraint: constraint((T0347)F112.CB, (T0347)I153.CB) [> 3.5848 = 5.9747 < 7.7671] w=0.1498 to align # Constraint # added constraint: constraint((T0347)F112.CB, (T0347)I154.CB) [> 3.8089 = 6.3482 < 8.2527] w=0.1498 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)T85.CB) [> 2.9343 = 4.8905 < 6.3577] w=0.1493 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)L165.CB) [> 4.6842 = 7.8070 < 10.1491] w=0.1483 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)W161.CB) [> 4.2507 = 7.0845 < 9.2099] w=0.1483 to align # Constraint # added constraint: constraint((T0347)H70.CB, (T0347)S157.CB) [> 4.1416 = 6.9026 < 8.9734] w=0.1483 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)W161.CB) [> 2.4204 = 4.0339 < 5.2441] w=0.1483 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)E158.CB) [> 2.9050 = 4.8417 < 6.2941] w=0.1483 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)S157.CB) [> 3.7324 = 6.2206 < 8.0868] w=0.1483 to align # Constraint # added constraint: constraint((T0347)D67.CB, (T0347)S157.CB) [> 3.4336 = 5.7227 < 7.4395] w=0.1483 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)L71.CB) [> 4.4532 = 7.4221 < 9.6487] w=0.1483 to align # Constraint # added constraint: constraint((T0347)L73.CB, (T0347)L165.CB) [> 2.5968 = 4.3280 < 5.6264] w=0.1483 to align # Constraint # added constraint: constraint((T0347)L73.CB, (T0347)R168.CB) [> 4.6090 = 7.6817 < 9.9862] w=0.1483 to align # Constraint # added constraint: constraint((T0347)S76.CB, (T0347)R168.CB) [> 4.5761 = 7.6268 < 9.9149] w=0.1483 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)F159.CB) [> 3.8039 = 6.3398 < 8.2418] w=0.1483 to align # Constraint # added constraint: constraint((T0347)D113.CB, (T0347)L143.CB) [> 4.4636 = 7.4393 < 9.6711] w=0.1483 to align # Constraint # added constraint: constraint((T0347)D113.CB, (T0347)G148.CA) [> 4.4704 = 7.4506 < 9.6858] w=0.1483 to align # Constraint # added constraint: constraint((T0347)A114.CB, (T0347)A146.CB) [> 4.2666 = 7.1110 < 9.2443] w=0.1483 to align # Constraint # added constraint: constraint((T0347)R137.CB, (T0347)D163.CB) [> 3.3341 = 5.5568 < 7.2239] w=0.1483 to align # Constraint # added constraint: constraint((T0347)A140.CB, (T0347)G160.CA) [> 4.1623 = 6.9371 < 9.0182] w=0.1483 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)V102.CB) [> 4.2053 = 7.0089 < 9.1115] w=0.1483 to align # Constraint # added constraint: constraint((T0347)L165.CB, (T0347)A185.CB) [> 3.6175 = 6.0291 < 7.8378] w=0.1474 to align # Constraint # added constraint: constraint((T0347)L73.CB, (T0347)T85.CB) [> 3.6909 = 6.1515 < 7.9970] w=0.1471 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)I124.CB) [> 4.2961 = 7.1602 < 9.3083] w=0.1461 to align # Constraint # added constraint: constraint((T0347)F99.CB, (T0347)L143.CB) [> 4.3987 = 7.3312 < 9.5305] w=0.1457 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)D113.CB) [> 3.7367 = 6.2278 < 8.0962] w=0.1447 to align # Constraint # added constraint: constraint((T0347)L75.CB, (T0347)L173.CB) [> 4.0813 = 6.8023 < 8.8429] w=0.1446 to align # Constraint # added constraint: constraint((T0347)W100.CB, (T0347)R119.CB) [> 4.3474 = 7.2456 < 9.4193] w=0.1445 to align # Constraint # added constraint: constraint((T0347)I109.CB, (T0347)S121.CB) [> 4.2973 = 7.1623 < 9.3109] w=0.1435 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)S121.CB) [> 3.9224 = 6.5373 < 8.4985] w=0.1435 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)P135.CB) [> 4.0290 = 6.7150 < 8.7294] w=0.1424 to align # Constraint # added constraint: constraint((T0347)R119.CB, (T0347)D133.CB) [> 4.1645 = 6.9408 < 9.0230] w=0.1422 to align # Constraint # added constraint: constraint((T0347)L165.CB, (T0347)F178.CB) [> 3.5340 = 5.8899 < 7.6569] w=0.1421 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)V88.CB) [> 3.7568 = 6.2613 < 8.1397] w=0.1412 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)F136.CB) [> 3.2246 = 5.3743 < 6.9866] w=0.1408 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)I154.CB) [> 3.9378 = 6.5629 < 8.5318] w=0.1398 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)E87.CB) [> 3.5674 = 5.9456 < 7.7293] w=0.1366 to align # Constraint # added constraint: constraint((T0347)A23.CB, (T0347)I66.CB) [> 3.2270 = 5.3783 < 6.9918] w=0.1356 to align # Constraint # added constraint: constraint((T0347)I22.CB, (T0347)I66.CB) [> 4.0291 = 6.7152 < 8.7298] w=0.1356 to align # Constraint # added constraint: constraint((T0347)Q21.CB, (T0347)I66.CB) [> 2.7920 = 4.6533 < 6.0493] w=0.1356 to align # Constraint # added constraint: constraint((T0347)T20.CB, (T0347)I66.CB) [> 4.1448 = 6.9081 < 8.9805] w=0.1356 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)P111.CB) [> 4.1419 = 6.9031 < 8.9740] w=0.1355 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)F99.CB) [> 3.2597 = 5.4329 < 7.0627] w=0.1331 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)P135.CB) [> 4.1445 = 6.9075 < 8.9797] w=0.1330 to align # Constraint # added constraint: constraint((T0347)L75.CB, (T0347)L143.CB) [> 4.0070 = 6.6783 < 8.6818] w=0.1325 to align # Constraint # added constraint: constraint((T0347)I109.CB, (T0347)P135.CB) [> 4.1537 = 6.9229 < 8.9998] w=0.1325 to align # Constraint # added constraint: constraint((T0347)I109.CB, (T0347)S138.CB) [> 4.3339 = 7.2231 < 9.3901] w=0.1325 to align # Constraint # added constraint: constraint((T0347)R119.CB, (T0347)S138.CB) [> 3.2008 = 5.3346 < 6.9350] w=0.1325 to align # Constraint # added constraint: constraint((T0347)K96.CB, (T0347)I128.CB) [> 3.8029 = 6.3381 < 8.2396] w=0.1306 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)Y110.CB) [> 4.3195 = 7.1992 < 9.3589] w=0.1285 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)L84.CB) [> 3.6534 = 6.0891 < 7.9158] w=0.1282 to align # Constraint # added constraint: constraint((T0347)I128.CB, (T0347)S138.CB) [> 4.0924 = 6.8206 < 8.8668] w=0.1279 to align # Constraint # added constraint: constraint((T0347)N127.CB, (T0347)A142.CB) [> 3.2834 = 5.4723 < 7.1140] w=0.1279 to align # Constraint # added constraint: constraint((T0347)R27.CB, (T0347)H93.CB) [> 3.1565 = 5.2609 < 6.8392] w=0.1269 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)V88.CB) [> 4.0117 = 6.6861 < 8.6919] w=0.1269 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)E87.CB) [> 3.5653 = 5.9421 < 7.7248] w=0.1269 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)S86.CB) [> 3.2150 = 5.3583 < 6.9658] w=0.1269 to align # Constraint # added constraint: constraint((T0347)A23.CB, (T0347)V102.CB) [> 4.0817 = 6.8029 < 8.8437] w=0.1269 to align # Constraint # added constraint: constraint((T0347)A23.CB, (T0347)F99.CB) [> 4.6871 = 7.8119 < 10.1554] w=0.1269 to align # Constraint # added constraint: constraint((T0347)A23.CB, (T0347)V88.CB) [> 4.2064 = 7.0106 < 9.1138] w=0.1269 to align # Constraint # added constraint: constraint((T0347)Q21.CB, (T0347)V88.CB) [> 4.3111 = 7.1851 < 9.3406] w=0.1269 to align # Constraint # added constraint: constraint((T0347)I14.CB, (T0347)V24.CB) [> 4.5180 = 7.5300 < 9.7890] w=0.1269 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)T85.CB) [> 4.0613 = 6.7688 < 8.7995] w=0.1268 to align # Constraint # added constraint: constraint((T0347)D113.CB, (T0347)P125.CB) [> 3.3161 = 5.5268 < 7.1849] w=0.1255 to align # Constraint # added constraint: constraint((T0347)I109.CB, (T0347)E158.CB) [> 3.3813 = 5.6354 < 7.3261] w=0.1252 to align # Constraint # added constraint: constraint((T0347)L71.CB, (T0347)D113.CB) [> 4.5376 = 7.5627 < 9.8315] w=0.1252 to align # Constraint # added constraint: constraint((T0347)F91.CB, (T0347)L139.CB) [> 4.3189 = 7.1982 < 9.3577] w=0.1174 to align # Constraint # added constraint: constraint((T0347)L71.CB, (T0347)L173.CB) [> 2.5658 = 4.2764 < 5.5593] w=0.1174 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)H93.CB) [> 4.7118 = 7.8530 < 10.2089] w=0.1174 to align # Constraint # added constraint: constraint((T0347)F47.CB, (T0347)W161.CB) [> 4.4462 = 7.4104 < 9.6335] w=0.1174 to align # Constraint # added constraint: constraint((T0347)G148.CA, (T0347)S157.CB) [> 3.9042 = 6.5070 < 8.4591] w=0.1174 to align # Constraint # added constraint: constraint((T0347)R144.CB, (T0347)S157.CB) [> 3.3506 = 5.5844 < 7.2597] w=0.1174 to align # Constraint # added constraint: constraint((T0347)G141.CA, (T0347)S157.CB) [> 4.6791 = 7.7985 < 10.1380] w=0.1174 to align # Constraint # added constraint: constraint((T0347)F136.CB, (T0347)F159.CB) [> 4.4866 = 7.4776 < 9.7209] w=0.1174 to align # Constraint # added constraint: constraint((T0347)I22.CB, (T0347)A162.CB) [> 3.8869 = 6.4782 < 8.4217] w=0.1165 to align # Constraint # added constraint: constraint((T0347)F26.CB, (T0347)R166.CB) [> 3.3401 = 5.5668 < 7.2369] w=0.1165 to align # Constraint # added constraint: constraint((T0347)F26.CB, (T0347)I169.CB) [> 4.5036 = 7.5061 < 9.7579] w=0.1165 to align # Constraint # added constraint: constraint((T0347)R27.CB, (T0347)I169.CB) [> 3.5594 = 5.9323 < 7.7119] w=0.1165 to align # Constraint # added constraint: constraint((T0347)R106.CB, (T0347)F164.CB) [> 3.4315 = 5.7191 < 7.4349] w=0.1165 to align # Constraint # added constraint: constraint((T0347)F112.CB, (T0347)K151.CB) [> 3.8012 = 6.3353 < 8.2358] w=0.1165 to align # Constraint # added constraint: constraint((T0347)D113.CB, (T0347)V152.CB) [> 3.7574 = 6.2624 < 8.1411] w=0.1151 to align # Constraint # added constraint: constraint((T0347)R168.CB, (T0347)F178.CB) [> 3.2150 = 5.3583 < 6.9657] w=0.1149 to align # Constraint # added constraint: constraint((T0347)R166.CB, (T0347)D179.CB) [> 3.9053 = 6.5088 < 8.4615] w=0.1149 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)P111.CB) [> 4.4829 = 7.4715 < 9.7129] w=0.1131 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)E87.CB) [> 3.7884 = 6.3140 < 8.2082] w=0.1127 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)F91.CB) [> 3.8033 = 6.3389 < 8.2406] w=0.1124 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)K96.CB) [> 4.7977 = 7.9962 < 10.3951] w=0.1111 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)S86.CB) [> 4.0849 = 6.8082 < 8.8506] w=0.1101 to align # Constraint # added constraint: constraint((T0347)R119.CB, (T0347)H129.CB) [> 3.6325 = 6.0541 < 7.8703] w=0.1101 to align # Constraint # added constraint: constraint((T0347)R18.CB, (T0347)I66.CB) [> 4.7943 = 7.9906 < 10.3877] w=0.1081 to align # Constraint # added constraint: constraint((T0347)P19.CB, (T0347)V102.CB) [> 4.3562 = 7.2603 < 9.4384] w=0.1081 to align # Constraint # added constraint: constraint((T0347)T20.CB, (T0347)V102.CB) [> 4.5643 = 7.6071 < 9.8893] w=0.1081 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)L131.CB) [> 3.4917 = 5.8195 < 7.5653] w=0.1065 to align # Constraint # added constraint: constraint((T0347)T20.CB, (T0347)H69.CB) [> 4.7423 = 7.9038 < 10.2749] w=0.1023 to align # Constraint # added constraint: constraint((T0347)R18.CB, (T0347)H69.CB) [> 4.4936 = 7.4893 < 9.7361] w=0.1023 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)V102.CB) [> 3.1129 = 5.1882 < 6.7447] w=0.1001 to align # Constraint # added constraint: constraint((T0347)Q21.CB, (T0347)S92.CB) [> 3.1834 = 5.3056 < 6.8973] w=0.1001 to align # Constraint # added constraint: constraint((T0347)R18.CB, (T0347)L65.CB) [> 4.4878 = 7.4797 < 9.7236] w=0.0989 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)I22.CB) [> 2.2891 = 3.8151 < 4.9596] w=0.0989 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)Q21.CB) [> 3.8518 = 6.4196 < 8.3455] w=0.0989 to align # Constraint # added constraint: constraint((T0347)S10.CB, (T0347)Q21.CB) [> 4.0392 = 6.7320 < 8.7516] w=0.0989 to align # Constraint # added constraint: constraint((T0347)L9.CB, (T0347)A23.CB) [> 3.3892 = 5.6487 < 7.3433] w=0.0989 to align # Constraint # added constraint: constraint((T0347)R8.CB, (T0347)A23.CB) [> 4.4532 = 7.4221 < 9.6487] w=0.0989 to align # Constraint # added constraint: constraint((T0347)R144.CB, (T0347)F156.CB) [> 3.6209 = 6.0348 < 7.8452] w=0.0989 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)E158.CB) [> 3.8756 = 6.4593 < 8.3971] w=0.0989 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)E87.CB) [> 3.8871 = 6.4785 < 8.4220] w=0.0989 to align # Constraint # added constraint: constraint((T0347)Q21.CB, (T0347)L65.CB) [> 3.8782 = 6.4636 < 8.4027] w=0.0989 to align # Constraint # added constraint: constraint((T0347)Q21.CB, (T0347)Y64.CB) [> 1.8448 = 3.0746 < 3.9970] w=0.0989 to align # Constraint # added constraint: constraint((T0347)Q21.CB, (T0347)G58.CA) [> 4.5251 = 7.5419 < 9.8045] w=0.0989 to align # Constraint # added constraint: constraint((T0347)P19.CB, (T0347)L65.CB) [> 3.5944 = 5.9907 < 7.7879] w=0.0989 to align # Constraint # added constraint: constraint((T0347)P19.CB, (T0347)Y64.CB) [> 3.4180 = 5.6966 < 7.4056] w=0.0989 to align # Constraint # added constraint: constraint((T0347)P19.CB, (T0347)A63.CB) [> 3.8613 = 6.4354 < 8.3661] w=0.0989 to align # Constraint # added constraint: constraint((T0347)P19.CB, (T0347)R62.CB) [> 3.8924 = 6.4873 < 8.4335] w=0.0989 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)V83.CB) [> 2.9459 = 4.9099 < 6.3828] w=0.0982 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)L84.CB) [> 4.3182 = 7.1969 < 9.3560] w=0.0982 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)P111.CB) [> 4.7160 = 7.8600 < 10.2180] w=0.0964 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)P111.CB) [> 3.4123 = 5.6871 < 7.3932] w=0.0964 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)Y110.CB) [> 3.6888 = 6.1480 < 7.9924] w=0.0964 to align # Constraint # added constraint: constraint((T0347)L73.CB, (T0347)L84.CB) [> 2.8449 = 4.7415 < 6.1639] w=0.0964 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)R119.CB) [> 4.4385 = 7.3975 < 9.6168] w=0.0964 to align # Constraint # added constraint: constraint((T0347)A57.CB, (T0347)I109.CB) [> 4.2485 = 7.0808 < 9.2050] w=0.0960 to align # Constraint # added constraint: constraint((T0347)R119.CB, (T0347)G141.CA) [> 4.2241 = 7.0402 < 9.1523] w=0.0954 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)P111.CB) [> 3.2134 = 5.3556 < 6.9623] w=0.0951 to align # Constraint # added constraint: constraint((T0347)F26.CB, (T0347)L73.CB) [> 4.7061 = 7.8434 < 10.1965] w=0.0938 to align # Constraint # added constraint: constraint((T0347)R27.CB, (T0347)A74.CB) [> 4.3144 = 7.1907 < 9.3479] w=0.0938 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)L73.CB) [> 4.2867 = 7.1445 < 9.2879] w=0.0938 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)L75.CB) [> 4.4936 = 7.4893 < 9.7361] w=0.0938 to align # Constraint # added constraint: constraint((T0347)A13.CB, (T0347)L48.CB) [> 4.0411 = 6.7352 < 8.7558] w=0.0938 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)V29.CB) [> 4.7169 = 7.8615 < 10.2199] w=0.0938 to align # Constraint # added constraint: constraint((T0347)S10.CB, (T0347)K41.CB) [> 3.3798 = 5.6330 < 7.3229] w=0.0938 to align # Constraint # added constraint: constraint((T0347)G141.CA, (T0347)K151.CB) [> 4.5591 = 7.5986 < 9.8781] w=0.0938 to align # Constraint # added constraint: constraint((T0347)F136.CB, (T0347)F156.CB) [> 4.6528 = 7.7547 < 10.0810] w=0.0938 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)F156.CB) [> 3.1547 = 5.2578 < 6.8351] w=0.0938 to align # Constraint # added constraint: constraint((T0347)K96.CB, (T0347)D133.CB) [> 4.7028 = 7.8379 < 10.1893] w=0.0938 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)I109.CB) [> 3.7789 = 6.2981 < 8.1876] w=0.0938 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)S86.CB) [> 4.6337 = 7.7229 < 10.0397] w=0.0938 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)V102.CB) [> 4.3429 = 7.2382 < 9.4096] w=0.0938 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)R168.CB) [> 4.3281 = 7.2135 < 9.3776] w=0.0938 to align # Constraint # added constraint: constraint((T0347)K96.CB, (T0347)H129.CB) [> 4.5391 = 7.5652 < 9.8348] w=0.0929 to align # Constraint # added constraint: constraint((T0347)I109.CB, (T0347)G148.CA) [> 3.9601 = 6.6002 < 8.5802] w=0.0929 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)V102.CB) [> 2.9436 = 4.9059 < 6.3777] w=0.0929 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)L182.CB) [> 3.6598 = 6.0997 < 7.9296] w=0.0929 to align # Constraint # added constraint: constraint((T0347)R62.CB, (T0347)F178.CB) [> 3.3693 = 5.6155 < 7.3001] w=0.0929 to align # Constraint # added constraint: constraint((T0347)I169.CB, (T0347)A185.CB) [> 2.6969 = 4.4948 < 5.8433] w=0.0929 to align # Constraint # added constraint: constraint((T0347)I169.CB, (T0347)L182.CB) [> 3.6985 = 6.1641 < 8.0133] w=0.0929 to align # Constraint # added constraint: constraint((T0347)R168.CB, (T0347)A189.CB) [> 3.6865 = 6.1442 < 7.9875] w=0.0929 to align # Constraint # added constraint: constraint((T0347)R168.CB, (T0347)L188.CB) [> 3.1783 = 5.2972 < 6.8863] w=0.0929 to align # Constraint # added constraint: constraint((T0347)R168.CB, (T0347)A185.CB) [> 2.3529 = 3.9215 < 5.0979] w=0.0929 to align # Constraint # added constraint: constraint((T0347)R168.CB, (T0347)E184.CB) [> 4.6918 = 7.8196 < 10.1655] w=0.0929 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)I154.CB) [> 4.2721 = 7.1201 < 9.2562] w=0.0929 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)V88.CB) [> 3.9311 = 6.5518 < 8.5174] w=0.0859 to align # Constraint # added constraint: constraint((T0347)I109.CB, (T0347)F136.CB) [> 3.7070 = 6.1783 < 8.0318] w=0.0839 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)L84.CB) [> 3.7749 = 6.2915 < 8.1789] w=0.0829 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)E87.CB) [> 4.6463 = 7.7439 < 10.0671] w=0.0823 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)H69.CB) [> 2.7321 = 4.5535 < 5.9195] w=0.0817 to align # Constraint # added constraint: constraint((T0347)F99.CB, (T0347)R168.CB) [> 3.6112 = 6.0187 < 7.8243] w=0.0817 to align # Constraint # added constraint: constraint((T0347)G148.CA, (T0347)G160.CA) [> 3.9836 = 6.6394 < 8.6312] w=0.0817 to align # Constraint # added constraint: constraint((T0347)A162.CB, (T0347)L182.CB) [> 3.3928 = 5.6547 < 7.3511] w=0.0817 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)I109.CB) [> 3.2151 = 5.3586 < 6.9661] w=0.0783 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)V83.CB) [> 4.4632 = 7.4387 < 9.6702] w=0.0783 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)Y110.CB) [> 3.9327 = 6.5546 < 8.5210] w=0.0783 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)W161.CB) [> 3.7096 = 6.1826 < 8.0374] w=0.0783 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)F159.CB) [> 3.2645 = 5.4408 < 7.0730] w=0.0783 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)E158.CB) [> 4.1220 = 6.8700 < 8.9311] w=0.0783 to align # Constraint # added constraint: constraint((T0347)P59.CB, (T0347)E87.CB) [> 3.4443 = 5.7404 < 7.4626] w=0.0765 to align # Constraint # added constraint: constraint((T0347)H68.CB, (T0347)P125.CB) [> 4.3404 = 7.2339 < 9.4041] w=0.0754 to align # Constraint # added constraint: constraint((T0347)R18.CB, (T0347)P125.CB) [> 4.2170 = 7.0284 < 9.1369] w=0.0734 to align # Constraint # added constraint: constraint((T0347)T20.CB, (T0347)V53.CB) [> 3.4822 = 5.8036 < 7.5447] w=0.0734 to align # Constraint # added constraint: constraint((T0347)Q21.CB, (T0347)V53.CB) [> 3.5478 = 5.9131 < 7.6870] w=0.0734 to align # Constraint # added constraint: constraint((T0347)I14.CB, (T0347)A140.CB) [> 3.1231 = 5.2052 < 6.7667] w=0.0734 to align # Constraint # added constraint: constraint((T0347)P125.CB, (T0347)L139.CB) [> 4.5133 = 7.5221 < 9.7787] w=0.0734 to align # Constraint # added constraint: constraint((T0347)N127.CB, (T0347)S138.CB) [> 3.9905 = 6.6508 < 8.6460] w=0.0734 to align # Constraint # added constraint: constraint((T0347)I22.CB, (T0347)V53.CB) [> 3.3332 = 5.5553 < 7.2219] w=0.0734 to align # Constraint # added constraint: constraint((T0347)I22.CB, (T0347)P54.CB) [> 3.3270 = 5.5451 < 7.2086] w=0.0734 to align # Constraint # added constraint: constraint((T0347)I22.CB, (T0347)V55.CB) [> 4.5567 = 7.5944 < 9.8728] w=0.0734 to align # Constraint # added constraint: constraint((T0347)I22.CB, (T0347)V56.CB) [> 3.2787 = 5.4645 < 7.1039] w=0.0734 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)V56.CB) [> 3.3740 = 5.6234 < 7.3104] w=0.0734 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)V102.CB) [> 3.4242 = 5.7070 < 7.4191] w=0.0734 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)P111.CB) [> 3.2082 = 5.3469 < 6.9510] w=0.0726 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)P111.CB) [> 4.0029 = 6.6715 < 8.6729] w=0.0726 to align # Constraint # added constraint: constraint((T0347)P59.CB, (T0347)I154.CB) [> 4.0822 = 6.8037 < 8.8448] w=0.0710 to align # Constraint # added constraint: constraint((T0347)G58.CA, (T0347)I154.CB) [> 3.9157 = 6.5262 < 8.4841] w=0.0710 to align # Constraint # added constraint: constraint((T0347)L17.CB, (T0347)E28.CB) [> 2.5850 = 4.3084 < 5.6009] w=0.0682 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)K96.CB) [> 4.7051 = 7.8419 < 10.1945] w=0.0634 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)G95.CA) [> 4.0240 = 6.7067 < 8.7187] w=0.0634 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)L94.CB) [> 3.8399 = 6.3998 < 8.3197] w=0.0634 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)T85.CB) [> 3.9320 = 6.5533 < 8.5194] w=0.0634 to align # Constraint # added constraint: constraint((T0347)I14.CB, (T0347)V88.CB) [> 4.5822 = 7.6370 < 9.9281] w=0.0634 to align # Constraint # added constraint: constraint((T0347)F26.CB, (T0347)H51.CB) [> 3.2300 = 5.3833 < 6.9983] w=0.0634 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)F99.CB) [> 4.6826 = 7.8044 < 10.1457] w=0.0634 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)V53.CB) [> 4.1999 = 6.9998 < 9.0997] w=0.0624 to align # Constraint # added constraint: constraint((T0347)V83.CB, (T0347)Y110.CB) [> 2.5600 = 4.2666 < 5.5466] w=0.0624 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)D113.CB) [> 4.6861 = 7.8102 < 10.1532] w=0.0624 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)M186.CB) [> 3.1100 = 5.1834 < 6.7384] w=0.0619 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)A185.CB) [> 4.5660 = 7.6100 < 9.8930] w=0.0619 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)A183.CB) [> 4.7664 = 7.9441 < 10.3273] w=0.0619 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)L182.CB) [> 3.4673 = 5.7789 < 7.5125] w=0.0619 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)M186.CB) [> 4.2601 = 7.1001 < 9.2302] w=0.0619 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)K190.CB) [> 3.5941 = 5.9901 < 7.7872] w=0.0619 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)A189.CB) [> 3.2408 = 5.4014 < 7.0219] w=0.0619 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)M186.CB) [> 3.2014 = 5.3357 < 6.9364] w=0.0619 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)K190.CB) [> 3.5644 = 5.9407 < 7.7230] w=0.0619 to align # Constraint # added constraint: constraint((T0347)R171.CB, (T0347)A185.CB) [> 4.1068 = 6.8447 < 8.8981] w=0.0619 to align # Constraint # added constraint: constraint((T0347)F99.CB, (T0347)N127.CB) [> 2.6887 = 4.4812 < 5.8256] w=0.0619 to align # Constraint # added constraint: constraint((T0347)A89.CB, (T0347)L182.CB) [> 4.2069 = 7.0116 < 9.1150] w=0.0619 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)L84.CB) [> 3.3351 = 5.5585 < 7.2261] w=0.0591 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)V83.CB) [> 4.5521 = 7.5868 < 9.8629] w=0.0591 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)A162.CB) [> 4.7940 = 7.9900 < 10.3869] w=0.0583 to align # Constraint # added constraint: constraint((T0347)P59.CB, (T0347)I153.CB) [> 4.2614 = 7.1023 < 9.2330] w=0.0569 to align # Constraint # added constraint: constraint((T0347)D113.CB, (T0347)I154.CB) [> 3.1990 = 5.3316 < 6.9311] w=0.0569 to align # Constraint # added constraint: constraint((T0347)L188.CB, (T0347)W200.CB) [> 4.7781 = 7.9635 < 10.3525] w=0.0569 to align # Constraint # added constraint: constraint((T0347)A189.CB, (T0347)G199.CA) [> 4.1386 = 6.8976 < 8.9669] w=0.0569 to align # Constraint # added constraint: constraint((T0347)A189.CB, (T0347)W200.CB) [> 3.1944 = 5.3241 < 6.9213] w=0.0569 to align # Constraint # added constraint: constraint((T0347)A189.CB, (T0347)C201.CB) [> 3.0845 = 5.1407 < 6.6830] w=0.0569 to align # Constraint # added constraint: constraint((T0347)A189.CB, (T0347)G202.CA) [> 4.6370 = 7.7283 < 10.0468] w=0.0569 to align # Constraint # added constraint: constraint((T0347)K190.CB, (T0347)G199.CA) [> 3.5971 = 5.9951 < 7.7936] w=0.0569 to align # Constraint # added constraint: constraint((T0347)R192.CB, (T0347)C201.CB) [> 4.7289 = 7.8815 < 10.2460] w=0.0569 to align # Constraint # added constraint: constraint((T0347)F159.CB, (T0347)M186.CB) [> 4.5323 = 7.5538 < 9.8200] w=0.0545 to align # Constraint # added constraint: constraint((T0347)F159.CB, (T0347)A185.CB) [> 4.6323 = 7.7206 < 10.0367] w=0.0545 to align # Constraint # added constraint: constraint((T0347)I154.CB, (T0347)L188.CB) [> 3.6912 = 6.1520 < 7.9976] w=0.0545 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)D113.CB) [> 4.2482 = 7.0803 < 9.2044] w=0.0541 to align # Constraint # added constraint: constraint((T0347)F47.CB, (T0347)L84.CB) [> 3.6906 = 6.1511 < 7.9964] w=0.0499 to align # Constraint # added constraint: constraint((T0347)D113.CB, (T0347)S175.CB) [> 3.4327 = 5.7213 < 7.4376] w=0.0499 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)K96.CB) [> 4.7927 = 7.9879 < 10.3843] w=0.0499 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)E158.CB) [> 3.8453 = 6.4088 < 8.3315] w=0.0494 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)W161.CB) [> 4.5366 = 7.5610 < 9.8294] w=0.0494 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)E158.CB) [> 4.4509 = 7.4182 < 9.6437] w=0.0494 to align # Constraint # added constraint: constraint((T0347)F26.CB, (T0347)G79.CA) [> 3.8572 = 6.4286 < 8.3572] w=0.0482 to align # Constraint # added constraint: constraint((T0347)L73.CB, (T0347)S86.CB) [> 2.7622 = 4.6036 < 5.9847] w=0.0482 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)K96.CB) [> 3.7622 = 6.2703 < 8.1514] w=0.0482 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)R119.CB) [> 4.4873 = 7.4788 < 9.7224] w=0.0482 to align # Constraint # added constraint: constraint((T0347)V83.CB, (T0347)V102.CB) [> 3.5839 = 5.9732 < 7.7651] w=0.0482 to align # Constraint # added constraint: constraint((T0347)V83.CB, (T0347)F99.CB) [> 2.7026 = 4.5043 < 5.8555] w=0.0482 to align # Constraint # added constraint: constraint((T0347)L73.CB, (T0347)I109.CB) [> 2.9394 = 4.8990 < 6.3687] w=0.0482 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)D113.CB) [> 4.0303 = 6.7172 < 8.7324] w=0.0469 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)L117.CB) [> 4.4456 = 7.4093 < 9.6321] w=0.0469 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)R168.CB) [> 4.3149 = 7.1915 < 9.3490] w=0.0469 to align # Constraint # added constraint: constraint((T0347)P155.CB, (T0347)F164.CB) [> 3.1820 = 5.3033 < 6.8943] w=0.0469 to align # Constraint # added constraint: constraint((T0347)I153.CB, (T0347)R168.CB) [> 4.2898 = 7.1497 < 9.2946] w=0.0469 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)R168.CB) [> 4.7267 = 7.8778 < 10.2412] w=0.0469 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)W161.CB) [> 4.2800 = 7.1333 < 9.2733] w=0.0469 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)D113.CB) [> 3.6907 = 6.1512 < 7.9965] w=0.0424 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)D113.CB) [> 4.6541 = 7.7568 < 10.0838] w=0.0424 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)P111.CB) [> 3.6522 = 6.0869 < 7.9130] w=0.0391 to align # Constraint # added constraint: constraint((T0347)L117.CB, (T0347)R137.CB) [> 3.8664 = 6.4439 < 8.3771] w=0.0391 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)V102.CB) [> 3.8658 = 6.4430 < 8.3758] w=0.0377 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)I109.CB) [> 2.7555 = 4.5925 < 5.9703] w=0.0370 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)Y64.CB) [> 2.7175 = 4.5292 < 5.8879] w=0.0367 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)L84.CB) [> 4.5200 = 7.5333 < 9.7933] w=0.0367 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)V83.CB) [> 3.4127 = 5.6878 < 7.3941] w=0.0367 to align # Constraint # added constraint: constraint((T0347)I4.CB, (T0347)F47.CB) [> 3.6170 = 6.0284 < 7.8369] w=0.0367 to align # Constraint # added constraint: constraint((T0347)I4.CB, (T0347)V55.CB) [> 4.4237 = 7.3728 < 9.5847] w=0.0367 to align # Constraint # added constraint: constraint((T0347)T20.CB, (T0347)F91.CB) [> 3.8492 = 6.4154 < 8.3400] w=0.0367 to align # Constraint # added constraint: constraint((T0347)R119.CB, (T0347)A181.CB) [> 2.8014 = 4.6691 < 6.0698] w=0.0367 to align # Constraint # added constraint: constraint((T0347)I124.CB, (T0347)A181.CB) [> 4.7423 = 7.9038 < 10.2749] w=0.0367 to align # Constraint # added constraint: constraint((T0347)I128.CB, (T0347)A181.CB) [> 3.0981 = 5.1634 < 6.7125] w=0.0367 to align # Constraint # added constraint: constraint((T0347)I128.CB, (T0347)E184.CB) [> 3.7475 = 6.2458 < 8.1195] w=0.0367 to align # Constraint # added constraint: constraint((T0347)L131.CB, (T0347)A181.CB) [> 2.5340 = 4.2233 < 5.4903] w=0.0367 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)V102.CB) [> 4.7177 = 7.8628 < 10.2216] w=0.0367 to align # Constraint # added constraint: constraint((T0347)L117.CB, (T0347)F178.CB) [> 4.2612 = 7.1019 < 9.2325] w=0.0367 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)L182.CB) [> 4.1637 = 6.9395 < 9.0213] w=0.0310 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)F99.CB) [> 4.4447 = 7.4078 < 9.6301] w=0.0310 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)V83.CB) [> 4.5105 = 7.5174 < 9.7727] w=0.0310 to align # Constraint # added constraint: constraint((T0347)I109.CB, (T0347)R119.CB) [> 2.8841 = 4.8068 < 6.2488] w=0.0292 to align # Constraint # added constraint: constraint((T0347)L188.CB, (T0347)L197.CB) [> 3.3657 = 5.6096 < 7.2924] w=0.0292 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)V55.CB) [> 2.5331 = 4.2218 < 5.4884] w=0.0283 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)F156.CB) [> 4.2210 = 7.0349 < 9.1454] w=0.0283 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)F156.CB) [> 3.7754 = 6.2923 < 8.1800] w=0.0283 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)P155.CB) [> 4.2341 = 7.0569 < 9.1740] w=0.0283 to align # Constraint # added constraint: constraint((T0347)F26.CB, (T0347)V53.CB) [> 4.3832 = 7.3054 < 9.4970] w=0.0272 to align # Constraint # added constraint: constraint((T0347)F26.CB, (T0347)K41.CB) [> 3.2738 = 5.4563 < 7.0932] w=0.0272 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)V53.CB) [> 3.8335 = 6.3892 < 8.3059] w=0.0272 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)H51.CB) [> 3.9493 = 6.5822 < 8.5569] w=0.0272 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)F47.CB) [> 3.8211 = 6.3685 < 8.2791] w=0.0272 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)S177.CB) [> 3.9409 = 6.5682 < 8.5386] w=0.0272 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)A140.CB) [> 2.9717 = 4.9529 < 6.4387] w=0.0272 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)H69.CB) [> 3.7671 = 6.2785 < 8.1620] w=0.0272 to align # Constraint # added constraint: constraint((T0347)V152.CB, (T0347)E193.CB) [> 4.6714 = 7.7856 < 10.1213] w=0.0272 to align # Constraint # added constraint: constraint((T0347)F26.CB, (T0347)V80.CB) [> 3.9659 = 6.6097 < 8.5927] w=0.0200 to align # Constraint # added constraint: constraint((T0347)G58.CA, (T0347)P155.CB) [> 4.6078 = 7.6796 < 9.9835] w=0.0141 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)S86.CB) [> 2.6680 = 4.4467 < 5.7807] w=0.0141 to align # Constraint # added constraint: constraint((T0347)I128.CB, (T0347)L197.CB) [> 3.4428 = 5.7380 < 7.4594] w=0.0141 to align # Constraint # added constraint: constraint((T0347)H129.CB, (T0347)L197.CB) [> 4.4642 = 7.4404 < 9.6725] w=0.0141 to align # Constraint # added constraint: constraint((T0347)L131.CB, (T0347)L197.CB) [> 4.6757 = 7.7928 < 10.1306] w=0.0141 to align # Constraint # added constraint: constraint((T0347)L131.CB, (T0347)P198.CB) [> 4.5762 = 7.6270 < 9.9151] w=0.0141 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)D113.CB) [> 4.5323 = 7.5538 < 9.8199] w=0.0058 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0347/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0347/decoys/ # ReadConformPDB reading from PDB file T0347.chimera-renum.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.chimera2-renum.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.chimera3.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 94 in T0347.chimera3.pdb.gz # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.chimera3_renum.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.chimera4.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 94 in T0347.chimera4.pdb.gz # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.chimera4_renum.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-1-2.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 166 # 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 130 # 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 189 # 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 59 # 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 199 # 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 166 # 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 189 # 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 165 # 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 178 # 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 168 # 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 193 # 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 204 # 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 204 # 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 204 # 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 # naming current conformation Bilab-ENABLE_TS4 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS5 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 190 # 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 181 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS2 # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 142 # 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 157 # 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 134 # 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 T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 204 # 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 204 # 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 204 # 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 204 # 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 156 # 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 T0347 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 Skipped atom 174, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 176, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 178, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 286, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 288, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 290, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 292, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 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 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS3 # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 5 # 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 T0347 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 175 # 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 175 # 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 135 # 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 16 # 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 147 # 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 # 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 152 # 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 135 # 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 181 # 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 65 # 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 185 # 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 169 # 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 198 # 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 202 # 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 204 # 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 198 # 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 201 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 181 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 202 # 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 118 # 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 173 # 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 197 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 129 # 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 153 # 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 T0347 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 134 # 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 111 # 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 # 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 173 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 84 # 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 134 # 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 58 # 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 154 # 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 203 # 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 202 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 135 # 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 153 # 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 118 # 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 137 # 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 177 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS2 # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS4 # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0347)R8.CA and (T0347)R8.CB only 0.000 apart, marking (T0347)R8.CB as missing WARNING: atoms too close: (T0347)A13.CA and (T0347)A13.CB only 0.000 apart, marking (T0347)A13.CB as missing WARNING: atoms too close: (T0347)K16.CA and (T0347)K16.CB only 0.000 apart, marking (T0347)K16.CB as missing WARNING: atoms too close: (T0347)R18.CA and (T0347)R18.CB only 0.000 apart, marking (T0347)R18.CB as missing WARNING: atoms too close: (T0347)E28.CA and (T0347)E28.CB only 0.000 apart, marking (T0347)E28.CB as missing WARNING: atoms too close: (T0347)E30.CA and (T0347)E30.CB only 0.000 apart, marking (T0347)E30.CB as missing WARNING: atoms too close: (T0347)K32.CA and (T0347)K32.CB only 0.000 apart, marking (T0347)K32.CB as missing WARNING: atoms too close: (T0347)K34.CA and (T0347)K34.CB only 0.000 apart, marking (T0347)K34.CB as missing WARNING: atoms too close: (T0347)I52.CA and (T0347)I52.CB only 0.000 apart, marking (T0347)I52.CB as missing WARNING: atoms too close: (T0347)V55.CA and (T0347)V55.CB only 0.000 apart, marking (T0347)V55.CB as missing WARNING: atoms too close: (T0347)V56.CA and (T0347)V56.CB only 0.000 apart, marking (T0347)V56.CB as missing WARNING: atoms too close: (T0347)R62.CA and (T0347)R62.CB only 0.000 apart, marking (T0347)R62.CB as missing WARNING: atoms too close: (T0347)L73.CA and (T0347)L73.CB only 0.000 apart, marking (T0347)L73.CB as missing WARNING: atoms too close: (T0347)V80.CA and (T0347)V80.CB only 0.000 apart, marking (T0347)V80.CB as missing WARNING: atoms too close: (T0347)E87.CA and (T0347)E87.CB only 0.000 apart, marking (T0347)E87.CB as missing WARNING: atoms too close: (T0347)V88.CA and (T0347)V88.CB only 0.000 apart, marking (T0347)V88.CB as missing WARNING: atoms too close: (T0347)F99.CA and (T0347)F99.CB only 0.000 apart, marking (T0347)F99.CB as missing WARNING: atoms too close: (T0347)V102.CA and (T0347)V102.CB only 0.000 apart, marking (T0347)V102.CB as missing WARNING: atoms too close: (T0347)P111.CA and (T0347)P111.CB only 0.000 apart, marking (T0347)P111.CB as missing WARNING: atoms too close: (T0347)A114.CA and (T0347)A114.CB only 0.000 apart, marking (T0347)A114.CB as missing WARNING: atoms too close: (T0347)R118.CA and (T0347)R118.CB only 0.000 apart, marking (T0347)R118.CB as missing WARNING: atoms too close: (T0347)I124.CA and (T0347)I124.CB only 0.000 apart, marking (T0347)I124.CB as missing WARNING: atoms too close: (T0347)P125.CA and (T0347)P125.CB only 0.000 apart, marking (T0347)P125.CB as missing WARNING: atoms too close: (T0347)D130.CA and (T0347)D130.CB only 0.000 apart, marking (T0347)D130.CB as missing WARNING: atoms too close: (T0347)E132.CA and (T0347)E132.CB only 0.000 apart, marking (T0347)E132.CB as missing WARNING: atoms too close: (T0347)D134.CA and (T0347)D134.CB only 0.000 apart, marking (T0347)D134.CB as missing WARNING: atoms too close: (T0347)R137.CA and (T0347)R137.CB only 0.000 apart, marking (T0347)R137.CB as missing WARNING: atoms too close: (T0347)L143.CA and (T0347)L143.CB only 0.000 apart, marking (T0347)L143.CB as missing WARNING: atoms too close: (T0347)R144.CA and (T0347)R144.CB only 0.000 apart, marking (T0347)R144.CB as missing WARNING: atoms too close: (T0347)A146.CA and (T0347)A146.CB only 0.000 apart, marking (T0347)A146.CB as missing WARNING: atoms too close: (T0347)P155.CA and (T0347)P155.CB only 0.000 apart, marking (T0347)P155.CB as missing WARNING: atoms too close: (T0347)F156.CA and (T0347)F156.CB only 0.000 apart, marking (T0347)F156.CB as missing WARNING: atoms too close: (T0347)S157.CA and (T0347)S157.CB only 0.000 apart, marking (T0347)S157.CB as missing WARNING: atoms too close: (T0347)D163.CA and (T0347)D163.CB only 0.000 apart, marking (T0347)D163.CB as missing WARNING: atoms too close: (T0347)F164.CA and (T0347)F164.CB only 0.000 apart, marking (T0347)F164.CB as missing WARNING: atoms too close: (T0347)R166.CA and (T0347)R166.CB only 0.000 apart, marking (T0347)R166.CB as missing WARNING: atoms too close: (T0347)F178.CA and (T0347)F178.CB only 0.000 apart, marking (T0347)F178.CB as missing WARNING: atoms too close: (T0347)R192.CA and (T0347)R192.CB only 0.000 apart, marking (T0347)R192.CB as missing WARNING: atoms too close: (T0347)E193.CA and (T0347)E193.CB only 0.000 apart, marking (T0347)E193.CB as missing WARNING: atoms too close: (T0347)A194.CA and (T0347)A194.CB only 0.000 apart, marking (T0347)A194.CB as missing WARNING: atoms too close: (T0347)W200.CA and (T0347)W200.CB only 0.000 apart, marking (T0347)W200.CB as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0347)E6.CA and (T0347)E6.CB only 0.000 apart, marking (T0347)E6.CB as missing WARNING: atoms too close: (T0347)A13.CA and (T0347)A13.CB only 0.000 apart, marking (T0347)A13.CB as missing WARNING: atoms too close: (T0347)L17.CA and (T0347)L17.CB only 0.000 apart, marking (T0347)L17.CB as missing WARNING: atoms too close: (T0347)T20.CA and (T0347)T20.CB only 0.000 apart, marking (T0347)T20.CB as missing WARNING: atoms too close: (T0347)E28.CA and (T0347)E28.CB only 0.000 apart, marking (T0347)E28.CB as missing WARNING: atoms too close: (T0347)W36.CA and (T0347)W36.CB only 0.000 apart, marking (T0347)W36.CB as missing WARNING: atoms too close: (T0347)V80.CA and (T0347)V80.CB only 0.000 apart, marking (T0347)V80.CB as missing WARNING: atoms too close: (T0347)L84.CA and (T0347)L84.CB only 0.000 apart, marking (T0347)L84.CB as missing WARNING: atoms too close: (T0347)E98.CA and (T0347)E98.CB only 0.000 apart, marking (T0347)E98.CB as missing WARNING: atoms too close: (T0347)F99.CA and (T0347)F99.CB only 0.000 apart, marking (T0347)F99.CB as missing WARNING: atoms too close: (T0347)P111.CA and (T0347)P111.CB only 0.000 apart, marking (T0347)P111.CB as missing WARNING: atoms too close: (T0347)R119.CA and (T0347)R119.CB only 0.000 apart, marking (T0347)R119.CB as missing WARNING: atoms too close: (T0347)P125.CA and (T0347)P125.CB only 0.000 apart, marking (T0347)P125.CB as missing WARNING: atoms too close: (T0347)D130.CA and (T0347)D130.CB only 0.000 apart, marking (T0347)D130.CB as missing WARNING: atoms too close: (T0347)D133.CA and (T0347)D133.CB only 0.000 apart, marking (T0347)D133.CB as missing WARNING: atoms too close: (T0347)D134.CA and (T0347)D134.CB only 0.000 apart, marking (T0347)D134.CB as missing WARNING: atoms too close: (T0347)R144.CA and (T0347)R144.CB only 0.000 apart, marking (T0347)R144.CB as missing WARNING: atoms too close: (T0347)K151.CA and (T0347)K151.CB only 0.000 apart, marking (T0347)K151.CB as missing WARNING: atoms too close: (T0347)V152.CA and (T0347)V152.CB only 0.000 apart, marking (T0347)V152.CB as missing WARNING: atoms too close: (T0347)R166.CA and (T0347)R166.CB only 0.000 apart, marking (T0347)R166.CB as missing WARNING: atoms too close: (T0347)D180.CA and (T0347)D180.CB only 0.000 apart, marking (T0347)D180.CB as missing WARNING: atoms too close: (T0347)S191.CA and (T0347)S191.CB only 0.000 apart, marking (T0347)S191.CB as missing WARNING: atoms too close: (T0347)E205.CA and (T0347)E205.CB only 0.000 apart, marking (T0347)E205.CB as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0347)M1.CA and (T0347)M1.CB only 0.000 apart, marking (T0347)M1.CB as missing WARNING: atoms too close: (T0347)P7.CA and (T0347)P7.CB only 0.000 apart, marking (T0347)P7.CB as missing WARNING: atoms too close: (T0347)R11.CA and (T0347)R11.CB only 0.000 apart, marking (T0347)R11.CB as missing WARNING: atoms too close: (T0347)K16.CA and (T0347)K16.CB only 0.000 apart, marking (T0347)K16.CB as missing WARNING: atoms too close: (T0347)P19.CA and (T0347)P19.CB only 0.000 apart, marking (T0347)P19.CB as missing WARNING: atoms too close: (T0347)R27.CA and (T0347)R27.CB only 0.000 apart, marking (T0347)R27.CB as missing WARNING: atoms too close: (T0347)R33.CA and (T0347)R33.CB only 0.000 apart, marking (T0347)R33.CB as missing WARNING: atoms too close: (T0347)K34.CA and (T0347)K34.CB only 0.000 apart, marking (T0347)K34.CB as missing WARNING: atoms too close: (T0347)D45.CA and (T0347)D45.CB only 0.000 apart, marking (T0347)D45.CB as missing WARNING: atoms too close: (T0347)D46.CA and (T0347)D46.CB only 0.000 apart, marking (T0347)D46.CB as missing WARNING: atoms too close: (T0347)L48.CA and (T0347)L48.CB only 0.000 apart, marking (T0347)L48.CB as missing WARNING: atoms too close: (T0347)H51.CA and (T0347)H51.CB only 0.000 apart, marking (T0347)H51.CB as missing WARNING: atoms too close: (T0347)V55.CA and (T0347)V55.CB only 0.000 apart, marking (T0347)V55.CB as missing WARNING: atoms too close: (T0347)P59.CA and (T0347)P59.CB only 0.000 apart, marking (T0347)P59.CB as missing WARNING: atoms too close: (T0347)D61.CA and (T0347)D61.CB only 0.000 apart, marking (T0347)D61.CB as missing WARNING: atoms too close: (T0347)I66.CA and (T0347)I66.CB only 0.000 apart, marking (T0347)I66.CB as missing WARNING: atoms too close: (T0347)H70.CA and (T0347)H70.CB only 0.000 apart, marking (T0347)H70.CB as missing WARNING: atoms too close: (T0347)L73.CA and (T0347)L73.CB only 0.000 apart, marking (T0347)L73.CB as missing WARNING: atoms too close: (T0347)E81.CA and (T0347)E81.CB only 0.000 apart, marking (T0347)E81.CB as missing WARNING: atoms too close: (T0347)S86.CA and (T0347)S86.CB only 0.000 apart, marking (T0347)S86.CB as missing WARNING: atoms too close: (T0347)E87.CA and (T0347)E87.CB only 0.000 apart, marking (T0347)E87.CB as missing WARNING: atoms too close: (T0347)L94.CA and (T0347)L94.CB only 0.000 apart, marking (T0347)L94.CB as missing WARNING: atoms too close: (T0347)E98.CA and (T0347)E98.CB only 0.000 apart, marking (T0347)E98.CB as missing WARNING: atoms too close: (T0347)W100.CA and (T0347)W100.CB only 0.000 apart, marking (T0347)W100.CB as missing WARNING: atoms too close: (T0347)M103.CA and (T0347)M103.CB only 0.000 apart, marking (T0347)M103.CB as missing WARNING: atoms too close: (T0347)D104.CA and (T0347)D104.CB only 0.000 apart, marking (T0347)D104.CB as missing WARNING: atoms too close: (T0347)D113.CA and (T0347)D113.CB only 0.000 apart, marking (T0347)D113.CB as missing WARNING: atoms too close: (T0347)Q115.CA and (T0347)Q115.CB only 0.000 apart, marking (T0347)Q115.CB as missing WARNING: atoms too close: (T0347)Q120.CA and (T0347)Q120.CB only 0.000 apart, marking (T0347)Q120.CB as missing WARNING: atoms too close: (T0347)P125.CA and (T0347)P125.CB only 0.000 apart, marking (T0347)P125.CB as missing WARNING: atoms too close: (T0347)D130.CA and (T0347)D130.CB only 0.000 apart, marking (T0347)D130.CB as missing WARNING: atoms too close: (T0347)L131.CA and (T0347)L131.CB only 0.000 apart, marking (T0347)L131.CB as missing WARNING: atoms too close: (T0347)E132.CA and (T0347)E132.CB only 0.000 apart, marking (T0347)E132.CB as missing WARNING: atoms too close: (T0347)D133.CA and (T0347)D133.CB only 0.000 apart, marking (T0347)D133.CB as missing WARNING: atoms too close: (T0347)F136.CA and (T0347)F136.CB only 0.000 apart, marking (T0347)F136.CB as missing WARNING: atoms too close: (T0347)R137.CA and (T0347)R137.CB only 0.000 apart, marking (T0347)R137.CB as missing WARNING: atoms too close: (T0347)S138.CA and (T0347)S138.CB only 0.000 apart, marking (T0347)S138.CB as missing WARNING: atoms too close: (T0347)A142.CA and (T0347)A142.CB only 0.000 apart, marking (T0347)A142.CB as missing WARNING: atoms too close: (T0347)Y149.CA and (T0347)Y149.CB only 0.000 apart, marking (T0347)Y149.CB as missing WARNING: atoms too close: (T0347)D163.CA and (T0347)D163.CB only 0.000 apart, marking (T0347)D163.CB as missing WARNING: atoms too close: (T0347)D172.CA and (T0347)D172.CB only 0.000 apart, marking (T0347)D172.CB as missing WARNING: atoms too close: (T0347)S175.CA and (T0347)S175.CB only 0.000 apart, marking (T0347)S175.CB as missing WARNING: atoms too close: (T0347)M186.CA and (T0347)M186.CB only 0.000 apart, marking (T0347)M186.CB as missing WARNING: atoms too close: (T0347)R192.CA and (T0347)R192.CB only 0.000 apart, marking (T0347)R192.CB as missing WARNING: atoms too close: (T0347)E193.CA and (T0347)E193.CB only 0.000 apart, marking (T0347)E193.CB as missing WARNING: atoms too close: (T0347)A194.CA and (T0347)A194.CB only 0.000 apart, marking (T0347)A194.CB as missing WARNING: atoms too close: (T0347)L197.CA and (T0347)L197.CB only 0.000 apart, marking (T0347)L197.CB as missing WARNING: atoms too close: (T0347)W200.CA and (T0347)W200.CB only 0.000 apart, marking (T0347)W200.CB as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0347)T2.CA and (T0347)T2.CB only 0.000 apart, marking (T0347)T2.CB as missing WARNING: atoms too close: (T0347)E6.CA and (T0347)E6.CB only 0.000 apart, marking (T0347)E6.CB as missing WARNING: atoms too close: (T0347)A13.CA and (T0347)A13.CB only 0.000 apart, marking (T0347)A13.CB as missing WARNING: atoms too close: (T0347)I14.CA and (T0347)I14.CB only 0.000 apart, marking (T0347)I14.CB as missing WARNING: atoms too close: (T0347)K16.CA and (T0347)K16.CB only 0.000 apart, marking (T0347)K16.CB as missing WARNING: atoms too close: (T0347)T20.CA and (T0347)T20.CB only 0.000 apart, marking (T0347)T20.CB as missing WARNING: atoms too close: (T0347)A23.CA and (T0347)A23.CB only 0.000 apart, marking (T0347)A23.CB as missing WARNING: atoms too close: (T0347)E28.CA and (T0347)E28.CB only 0.000 apart, marking (T0347)E28.CB as missing WARNING: atoms too close: (T0347)H51.CA and (T0347)H51.CB only 0.000 apart, marking (T0347)H51.CB as missing WARNING: atoms too close: (T0347)K60.CA and (T0347)K60.CB only 0.000 apart, marking (T0347)K60.CB as missing WARNING: atoms too close: (T0347)L65.CA and (T0347)L65.CB only 0.000 apart, marking (T0347)L65.CB as missing WARNING: atoms too close: (T0347)H68.CA and (T0347)H68.CB only 0.000 apart, marking (T0347)H68.CB as missing WARNING: atoms too close: (T0347)L75.CA and (T0347)L75.CB only 0.000 apart, marking (T0347)L75.CB as missing WARNING: atoms too close: (T0347)V80.CA and (T0347)V80.CB only 0.000 apart, marking (T0347)V80.CB as missing WARNING: atoms too close: (T0347)H82.CA and (T0347)H82.CB only 0.000 apart, marking (T0347)H82.CB as missing WARNING: atoms too close: (T0347)H93.CA and (T0347)H93.CB only 0.000 apart, marking (T0347)H93.CB as missing WARNING: atoms too close: (T0347)L94.CA and (T0347)L94.CB only 0.000 apart, marking (T0347)L94.CB as missing WARNING: atoms too close: (T0347)K96.CA and (T0347)K96.CB only 0.000 apart, marking (T0347)K96.CB as missing WARNING: atoms too close: (T0347)S101.CA and (T0347)S101.CB only 0.000 apart, marking (T0347)S101.CB as missing WARNING: atoms too close: (T0347)P111.CA and (T0347)P111.CB only 0.000 apart, marking (T0347)P111.CB as missing WARNING: atoms too close: (T0347)A114.CA and (T0347)A114.CB only 0.000 apart, marking (T0347)A114.CB as missing WARNING: atoms too close: (T0347)S121.CA and (T0347)S121.CB only 0.000 apart, marking (T0347)S121.CB as missing WARNING: atoms too close: (T0347)P125.CA and (T0347)P125.CB only 0.000 apart, marking (T0347)P125.CB as missing WARNING: atoms too close: (T0347)I128.CA and (T0347)I128.CB only 0.000 apart, marking (T0347)I128.CB as missing WARNING: atoms too close: (T0347)E132.CA and (T0347)E132.CB only 0.000 apart, marking (T0347)E132.CB as missing WARNING: atoms too close: (T0347)D134.CA and (T0347)D134.CB only 0.000 apart, marking (T0347)D134.CB as missing WARNING: atoms too close: (T0347)F136.CA and (T0347)F136.CB only 0.000 apart, marking (T0347)F136.CB as missing WARNING: atoms too close: (T0347)R137.CA and (T0347)R137.CB only 0.000 apart, marking (T0347)R137.CB as missing WARNING: atoms too close: (T0347)L143.CA and (T0347)L143.CB only 0.000 apart, marking (T0347)L143.CB as missing WARNING: atoms too close: (T0347)A146.CA and (T0347)A146.CB only 0.000 apart, marking (T0347)A146.CB as missing WARNING: atoms too close: (T0347)A150.CA and (T0347)A150.CB only 0.000 apart, marking (T0347)A150.CB as missing WARNING: atoms too close: (T0347)K151.CA and (T0347)K151.CB only 0.000 apart, marking (T0347)K151.CB as missing WARNING: atoms too close: (T0347)P155.CA and (T0347)P155.CB only 0.000 apart, marking (T0347)P155.CB as missing WARNING: atoms too close: (T0347)F156.CA and (T0347)F156.CB only 0.000 apart, marking (T0347)F156.CB as missing WARNING: atoms too close: (T0347)E158.CA and (T0347)E158.CB only 0.000 apart, marking (T0347)E158.CB as missing WARNING: atoms too close: (T0347)A162.CA and (T0347)A162.CB only 0.000 apart, marking (T0347)A162.CB as missing WARNING: atoms too close: (T0347)R166.CA and (T0347)R166.CB only 0.000 apart, marking (T0347)R166.CB as missing WARNING: atoms too close: (T0347)D172.CA and (T0347)D172.CB only 0.000 apart, marking (T0347)D172.CB as missing WARNING: atoms too close: (T0347)L173.CA and (T0347)L173.CB only 0.000 apart, marking (T0347)L173.CB as missing WARNING: atoms too close: (T0347)F178.CA and (T0347)F178.CB only 0.000 apart, marking (T0347)F178.CB as missing WARNING: atoms too close: (T0347)D180.CA and (T0347)D180.CB only 0.000 apart, marking (T0347)D180.CB as missing WARNING: atoms too close: (T0347)E193.CA and (T0347)E193.CB only 0.000 apart, marking (T0347)E193.CB as missing WARNING: atoms too close: (T0347)A194.CA and (T0347)A194.CB only 0.000 apart, marking (T0347)A194.CB as missing WARNING: atoms too close: (T0347)W200.CA and (T0347)W200.CB only 0.000 apart, marking (T0347)W200.CB as missing WARNING: atoms too close: (T0347)E205.CA and (T0347)E205.CB only 0.000 apart, marking (T0347)E205.CB as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0347)Y5.CA and (T0347)Y5.CB only 0.000 apart, marking (T0347)Y5.CB as missing WARNING: atoms too close: (T0347)E6.CA and (T0347)E6.CB only 0.000 apart, marking (T0347)E6.CB as missing WARNING: atoms too close: (T0347)R8.CA and (T0347)R8.CB only 0.000 apart, marking (T0347)R8.CB as missing WARNING: atoms too close: (T0347)I12.CA and (T0347)I12.CB only 0.000 apart, marking (T0347)I12.CB as missing WARNING: atoms too close: (T0347)I22.CA and (T0347)I22.CB only 0.000 apart, marking (T0347)I22.CB as missing WARNING: atoms too close: (T0347)E30.CA and (T0347)E30.CB only 0.000 apart, marking (T0347)E30.CB as missing WARNING: atoms too close: (T0347)E38.CA and (T0347)E38.CB only 0.000 apart, marking (T0347)E38.CB as missing WARNING: atoms too close: (T0347)T39.CA and (T0347)T39.CB only 0.000 apart, marking (T0347)T39.CB as missing WARNING: atoms too close: (T0347)R40.CA and (T0347)R40.CB only 0.000 apart, marking (T0347)R40.CB as missing WARNING: atoms too close: (T0347)H51.CA and (T0347)H51.CB only 0.000 apart, marking (T0347)H51.CB as missing WARNING: atoms too close: (T0347)H68.CA and (T0347)H68.CB only 0.000 apart, marking (T0347)H68.CB as missing WARNING: atoms too close: (T0347)H70.CA and (T0347)H70.CB only 0.000 apart, marking (T0347)H70.CB as missing WARNING: atoms too close: (T0347)L73.CA and (T0347)L73.CB only 0.000 apart, marking (T0347)L73.CB as missing WARNING: atoms too close: (T0347)V80.CA and (T0347)V80.CB only 0.000 apart, marking (T0347)V80.CB as missing WARNING: atoms too close: (T0347)E87.CA and (T0347)E87.CB only 0.000 apart, marking (T0347)E87.CB as missing WARNING: atoms too close: (T0347)F91.CA and (T0347)F91.CB only 0.000 apart, marking (T0347)F91.CB as missing WARNING: atoms too close: (T0347)K96.CA and (T0347)K96.CB only 0.000 apart, marking (T0347)K96.CB as missing WARNING: atoms too close: (T0347)D97.CA and (T0347)D97.CB only 0.000 apart, marking (T0347)D97.CB as missing WARNING: atoms too close: (T0347)F99.CA and (T0347)F99.CB only 0.000 apart, marking (T0347)F99.CB as missing WARNING: atoms too close: (T0347)Q120.CA and (T0347)Q120.CB only 0.000 apart, marking (T0347)Q120.CB as missing WARNING: atoms too close: (T0347)E132.CA and (T0347)E132.CB only 0.000 apart, marking (T0347)E132.CB as missing WARNING: atoms too close: (T0347)D133.CA and (T0347)D133.CB only 0.000 apart, marking (T0347)D133.CB as missing WARNING: atoms too close: (T0347)D134.CA and (T0347)D134.CB only 0.000 apart, marking (T0347)D134.CB as missing WARNING: atoms too close: (T0347)L139.CA and (T0347)L139.CB only 0.000 apart, marking (T0347)L139.CB as missing WARNING: atoms too close: (T0347)K151.CA and (T0347)K151.CB only 0.000 apart, marking (T0347)K151.CB as missing WARNING: atoms too close: (T0347)V152.CA and (T0347)V152.CB only 0.000 apart, marking (T0347)V152.CB as missing WARNING: atoms too close: (T0347)S157.CA and (T0347)S157.CB only 0.000 apart, marking (T0347)S157.CB as missing WARNING: atoms too close: (T0347)A162.CA and (T0347)A162.CB only 0.000 apart, marking (T0347)A162.CB as missing WARNING: atoms too close: (T0347)R166.CA and (T0347)R166.CB only 0.000 apart, marking (T0347)R166.CB as missing WARNING: atoms too close: (T0347)R171.CA and (T0347)R171.CB only 0.000 apart, marking (T0347)R171.CB as missing WARNING: atoms too close: (T0347)S175.CA and (T0347)S175.CB only 0.000 apart, marking (T0347)S175.CB as missing WARNING: atoms too close: (T0347)D179.CA and (T0347)D179.CB only 0.000 apart, marking (T0347)D179.CB as missing WARNING: atoms too close: (T0347)A194.CA and (T0347)A194.CB only 0.000 apart, marking (T0347)A194.CB as missing WARNING: atoms too close: (T0347)W200.CA and (T0347)W200.CB only 0.000 apart, marking (T0347)W200.CB as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 199 # 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 T0347 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 T0347 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 T0347 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 T0347 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 105 # 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 171 # 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 109 # 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 173 # 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 177 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 177 # 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 169 # 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 138 # 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 107 # 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 135 # 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 193 # 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 180 # 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 198 # 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 175 # 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0347)I22.CA and (T0347)E30.CA only 0.000 apart, marking (T0347)E30.CA as missing WARNING: atoms too close: (T0347)A23.N and (T0347)L31.N only 0.000 apart, marking (T0347)L31.N as missing WARNING: atoms too close: (T0347)A23.CA and (T0347)L31.CA only 0.000 apart, marking (T0347)L31.CA as missing WARNING: atoms too close: (T0347)A23.CB and (T0347)L31.CB only 0.000 apart, marking (T0347)L31.CB as missing WARNING: atoms too close: (T0347)A23.O and (T0347)L31.O only 0.000 apart, marking (T0347)L31.O as missing WARNING: atoms too close: (T0347)A23.C and (T0347)L31.C only 0.000 apart, marking (T0347)L31.C as missing WARNING: atoms too close: (T0347)V24.N and (T0347)K32.N only 0.000 apart, marking (T0347)K32.N as missing WARNING: atoms too close: (T0347)V24.CA and (T0347)K32.CA only 0.000 apart, marking (T0347)K32.CA as missing WARNING: atoms too close: (T0347)V24.CB and (T0347)K32.CB only 0.000 apart, marking (T0347)K32.CB as missing WARNING: atoms too close: (T0347)V24.O and (T0347)K32.O only 0.000 apart, marking (T0347)K32.O as missing WARNING: atoms too close: (T0347)V24.C and (T0347)K32.C only 0.000 apart, marking (T0347)K32.C as missing WARNING: atoms too close: (T0347)G25.N and (T0347)R33.N only 0.000 apart, marking (T0347)R33.N as missing WARNING: atoms too close: (T0347)G25.CA and (T0347)R33.CA only 0.000 apart, marking (T0347)R33.CA as missing WARNING: atoms too close: (T0347)G25.O and (T0347)R33.O only 0.000 apart, marking (T0347)R33.O as missing WARNING: atoms too close: (T0347)G25.C and (T0347)R33.C only 0.000 apart, marking (T0347)R33.C as missing WARNING: atoms too close: (T0347)F26.N and (T0347)K34.N only 0.000 apart, marking (T0347)K34.N as missing WARNING: atoms too close: (T0347)F26.CA and (T0347)K34.CA only 0.000 apart, marking (T0347)K34.CA as missing WARNING: atoms too close: (T0347)F26.CB and (T0347)K34.CB only 0.000 apart, marking (T0347)K34.CB as missing WARNING: atoms too close: (T0347)F26.O and (T0347)K34.O only 0.000 apart, marking (T0347)K34.O as missing WARNING: atoms too close: (T0347)F26.C and (T0347)K34.C only 0.000 apart, marking (T0347)K34.C as missing WARNING: atoms too close: (T0347)R27.N and (T0347)E35.N only 0.000 apart, marking (T0347)E35.N as missing WARNING: atoms too close: (T0347)R27.CA and (T0347)E35.CA only 0.000 apart, marking (T0347)E35.CA as missing WARNING: atoms too close: (T0347)R27.CB and (T0347)E35.CB only 0.000 apart, marking (T0347)E35.CB as missing WARNING: atoms too close: (T0347)R27.C and (T0347)E35.C only 0.000 apart, marking (T0347)E35.C as missing WARNING: atoms too close: (T0347)E28.CA and (T0347)W36.CA only 0.000 apart, marking (T0347)W36.CA as missing WARNING: atoms too close: (T0347)V29.CA and (T0347)R37.CA only 0.000 apart, marking (T0347)R37.CA as missing WARNING: atoms too close: (T0347)A89.CA and (T0347)L117.CA only 0.000 apart, marking (T0347)L117.CA as missing WARNING: atoms too close: (T0347)K90.CA and (T0347)R118.CA only 0.000 apart, marking (T0347)R118.CA as missing WARNING: atoms too close: (T0347)V102.CA and (T0347)D130.CA only 0.000 apart, marking (T0347)D130.CA as missing WARNING: atoms too close: (T0347)M103.N and (T0347)L131.N only 0.000 apart, marking (T0347)L131.N as missing WARNING: atoms too close: (T0347)M103.CA and (T0347)L131.CA only 0.000 apart, marking (T0347)L131.CA as missing WARNING: atoms too close: (T0347)M103.CB and (T0347)L131.CB only 0.000 apart, marking (T0347)L131.CB as missing WARNING: atoms too close: (T0347)M103.O and (T0347)L131.O only 0.000 apart, marking (T0347)L131.O as missing WARNING: atoms too close: (T0347)M103.C and (T0347)L131.C only 0.000 apart, marking (T0347)L131.C as missing WARNING: atoms too close: (T0347)D104.N and (T0347)E132.N only 0.000 apart, marking (T0347)E132.N as missing WARNING: atoms too close: (T0347)D104.CA and (T0347)E132.CA only 0.000 apart, marking (T0347)E132.CA as missing WARNING: atoms too close: (T0347)D104.CB and (T0347)E132.CB only 0.000 apart, marking (T0347)E132.CB as missing WARNING: atoms too close: (T0347)D104.C and (T0347)E132.C only 0.000 apart, marking (T0347)E132.C as missing WARNING: atoms too close: (T0347)H105.CA and (T0347)D133.CA only 0.000 apart, marking (T0347)D133.CA as missing WARNING: atoms too close: (T0347)R106.CA and (T0347)P135.CA only 0.000 apart, marking (T0347)P135.CA as missing WARNING: atoms too close: (T0347)R137.CA and (T0347)F156.CA only 0.000 apart, marking (T0347)F156.CA as missing WARNING: atoms too close: (T0347)S138.N and (T0347)S157.N only 0.000 apart, marking (T0347)S157.N as missing WARNING: atoms too close: (T0347)S138.CA and (T0347)S157.CA only 0.000 apart, marking (T0347)S157.CA as missing WARNING: atoms too close: (T0347)S138.CB and (T0347)S157.CB only 0.000 apart, marking (T0347)S157.CB as missing WARNING: atoms too close: (T0347)S138.O and (T0347)S157.O only 0.000 apart, marking (T0347)S157.O as missing WARNING: atoms too close: (T0347)S138.C and (T0347)S157.C only 0.000 apart, marking (T0347)S157.C as missing WARNING: atoms too close: (T0347)L139.N and (T0347)E158.N only 0.000 apart, marking (T0347)E158.N as missing WARNING: atoms too close: (T0347)L139.CA and (T0347)E158.CA only 0.000 apart, marking (T0347)E158.CA as missing WARNING: atoms too close: (T0347)L139.CB and (T0347)E158.CB only 0.000 apart, marking (T0347)E158.CB as missing WARNING: atoms too close: (T0347)L139.O and (T0347)E158.O only 0.000 apart, marking (T0347)E158.O as missing WARNING: atoms too close: (T0347)L139.C and (T0347)E158.C only 0.000 apart, marking (T0347)E158.C as missing WARNING: atoms too close: (T0347)A140.N and (T0347)F159.N only 0.000 apart, marking (T0347)F159.N as missing WARNING: atoms too close: (T0347)A140.CA and (T0347)F159.CA only 0.000 apart, marking (T0347)F159.CA as missing WARNING: atoms too close: (T0347)A140.CB and (T0347)F159.CB only 0.000 apart, marking (T0347)F159.CB as missing WARNING: atoms too close: (T0347)A140.O and (T0347)F159.O only 0.000 apart, marking (T0347)F159.O as missing WARNING: atoms too close: (T0347)A140.C and (T0347)F159.C only 0.000 apart, marking (T0347)F159.C as missing WARNING: atoms too close: (T0347)G141.N and (T0347)G160.N only 0.000 apart, marking (T0347)G160.N as missing WARNING: atoms too close: (T0347)G141.CA and (T0347)G160.CA only 0.000 apart, marking (T0347)G160.CA as missing WARNING: atoms too close: (T0347)G141.O and (T0347)G160.O only 0.000 apart, marking (T0347)G160.O as missing WARNING: atoms too close: (T0347)G141.C and (T0347)G160.C only 0.000 apart, marking (T0347)G160.C as missing WARNING: atoms too close: (T0347)A142.N and (T0347)W161.N only 0.000 apart, marking (T0347)W161.N as missing WARNING: atoms too close: (T0347)A142.CA and (T0347)W161.CA only 0.000 apart, marking (T0347)W161.CA as missing WARNING: atoms too close: (T0347)A142.CB and (T0347)W161.CB only 0.000 apart, marking (T0347)W161.CB as missing WARNING: atoms too close: (T0347)A142.O and (T0347)W161.O only 0.000 apart, marking (T0347)W161.O as missing WARNING: atoms too close: (T0347)A142.C and (T0347)W161.C only 0.000 apart, marking (T0347)W161.C as missing WARNING: atoms too close: (T0347)L143.N and (T0347)A162.N only 0.000 apart, marking (T0347)L143.N as missing WARNING: atoms too close: (T0347)L143.CA and (T0347)A162.CA only 0.000 apart, marking (T0347)L143.CA as missing WARNING: atoms too close: (T0347)L143.CB and (T0347)A162.CB only 0.000 apart, marking (T0347)L143.CB as missing WARNING: atoms too close: (T0347)L143.C and (T0347)A162.C only 0.000 apart, marking (T0347)L143.C as missing WARNING: atoms too close: (T0347)R144.CA and (T0347)D163.CA only 0.000 apart, marking (T0347)D163.CA as missing WARNING: atoms too close: (T0347)M145.CA and (T0347)F164.CA only 0.000 apart, marking (T0347)F164.CA as missing # WARNING: incomplete conformation T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 197 # 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 201 # 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 202 # 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 199 # 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 199 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 Skipped atom 163, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz # WARNING: incomplete conformation T0347 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 T0347 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 T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # 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 43 # 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 146 # 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 138 # 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 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0347)L188.O and (T0347)A189.N only 0.000 apart, marking (T0347)A189.N as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 202 # 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 WARNING: atom 387 has residue number 30 < previous residue 92 in servers/mGen-3D_TS1.pdb.gz WARNING: atom 786 has residue number 23 < previous residue 205 in servers/mGen-3D_TS1.pdb.gz # WARNING: incomplete conformation T0347 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 T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 0.8556 model score 0.7636 model score 0.8515 model score 0.8515 model score 0.9998 model score 0.9998 model score 0.7606 model score 1.7056 model score 1.7381 model score 1.8253 model score 1.5571 model score 1.5823 model score 1.9422 model score 1.7767 model score 1.7789 model score 1.4663 model score 1.7793 model score 2.2557 model score 2.2594 model score 1.5476 model score 1.7192 model score 1.4274 model score 1.9919 model score 1.2658 model score 2.5356 model score 2.0721 model score 1.4274 model score 1.2658 model score 1.2265 model score 1.4768 model score 1.3709 model score 0.9124 model score 2.1509 model score 2.1311 model score 2.1800 model score 2.3748 model score 1.8374 model score 0.9542 model score 1.8621 model score 1.0011 model score 0.6039 model score 0.6040 model score 1.8508 model score 1.6540 model score 1.8014 model score 1.7881 model score 1.6040 model score 1.2785 model score 1.2785 model score 1.2782 model score 1.2784 model score 1.2783 model score 1.3880 model score 0.6040 model score 1.9694 model score 0.5960 model score 1.2950 model score 0.9542 model score 0.6039 model score 0.6040 model score 0.6040 model score 0.5906 model score 1.5138 model score 2.1067 model score 2.1469 model score 2.3380 model score 2.0367 model score 1.2771 model score 1.2758 model score 1.2788 model score 1.2780 model score 1.2784 model score 1.2771 model score 1.2766 model score 1.2780 model score 1.2784 model score 1.2768 model score 2.1703 model score 2.0942 model score 2.2121 model score 2.2172 model score 2.1738 model score 1.3046 model score 1.8096 model score 1.7717 model score 1.4967 model score 1.2846 model score 1.2775 model score 1.2776 model score 1.2771 model score 1.2771 model score 1.9375 model score 1.0081 model score 0.5906 model score 2.0715 model score 1.8961 model score 2.0954 model score 1.9767 model score 1.9728 model score 2.0670 model score 1.5958 model score 0.8019 model score 0.8756 model score 0.8984 model score 1.5353 model score 2.1304 model score 1.5565 model score 1.6375 model score 1.2681 model score 1.4312 model score 1.8539 model score 2.1438 model score 1.5473 model score 1.4507 model score 2.0476 model score 1.6098 model score 2.0954 model score 1.8548 model score 1.6453 model score 1.6082 model score 1.9834 model score 1.5976 model score 1.6022 model score 1.7031 model score 0.9849 model score 1.2915 model score 1.1273 model score 1.2777 model score 1.4499 model score 2.0379 model score 1.9730 model score 2.1515 model score 2.1266 model score 2.0982 model score 2.3316 model score 1.8930 model score 1.8990 model score 1.8992 model score 1.8836 model score 1.8987 model score 1.8950 model score 2.0630 model score 1.8863 model score 1.8944 model score 1.8863 model score 0.8808 model score 1.6739 model score 1.4712 model score 1.4351 model score 1.6567 model score 1.7309 model score 2.0812 model score 2.0632 model score 2.1392 model score 2.0327 model score 2.0422 model score 0.9040 model score 0.8460 model score 0.9280 model score 0.9773 model score 1.3893 model score 1.7403 model score 1.8905 model score 2.0340 model score 1.6539 model score 2.0331 model score 1.3086 model score 1.8412 model score 1.3775 model score 1.7835 model score 1.7922 model score 1.2993 model score 1.8085 model score 1.3512 model score 1.9109 model score 1.9038 model score 0.8460 model score 1.5095 model score 0.8767 model score 1.6794 model score 0.9773 model score 1.7145 model score 1.7580 model score 1.7444 model score 1.6753 model score 1.7694 model score 1.2776 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.7860 model score 0.7216 model score 1.1911 model score 1.1991 model score 0.3874 model score 2.0102 model score 0.8979 model score 1.9541 model score 1.6539 model score 2.1296 model score 1.8223 model score 1.9940 model score 1.8966 model score 1.8529 model score 2.0791 model score 2.0379 model score 0.9423 model score 1.5695 model score 1.6438 model score 1.9311 model score 1.2779 model score 1.2777 model score 1.2778 model score 1.2771 model score 1.2771 model score 1.9586 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.7015 model score 0.7703 model score 0.8424 model score 0.8260 model score 0.8027 model score 1.7285 model score 1.8861 model score 1.2783 model score 1.2771 model score 1.2771 model score 1.2778 model score 1.2771 model score 2.1632 model score 1.9616 model score 1.7896 model score 2.2886 model score 2.2950 model score 2.1894 model score 2.2256 model score 2.0790 model score 2.4575 model score 2.5254 model score 1.7786 model score 1.2310 model score 1.5809 model score 1.8969 model score 1.5670 model score 1.6398 model score 1.5464 model score 1.4200 model score 2.0084 model score 1.8436 model score 0.7425 model score 1.8065 model score 1.9517 model score 1.9082 model score 1.9459 model score 1.9402 model score 1.8606 USE_META, weight: 0.8039 cost: 0.8556 min: 0.3874 max: 2.5356 USE_META, weight: 0.8424 cost: 0.7636 min: 0.3874 max: 2.5356 USE_META, weight: 0.8056 cost: 0.8515 min: 0.3874 max: 2.5356 USE_META, weight: 0.8056 cost: 0.8515 min: 0.3874 max: 2.5356 USE_META, weight: 0.7435 cost: 0.9998 min: 0.3874 max: 2.5356 USE_META, weight: 0.7435 cost: 0.9998 min: 0.3874 max: 2.5356 USE_META, weight: 0.8437 cost: 0.7606 min: 0.3874 max: 2.5356 USE_META, weight: 0.4477 cost: 1.7056 min: 0.3874 max: 2.5356 USE_META, weight: 0.4341 cost: 1.7381 min: 0.3874 max: 2.5356 USE_META, weight: 0.3976 cost: 1.8253 min: 0.3874 max: 2.5356 USE_META, weight: 0.5099 cost: 1.5571 min: 0.3874 max: 2.5356 USE_META, weight: 0.4994 cost: 1.5823 min: 0.3874 max: 2.5356 USE_META, weight: 0.3486 cost: 1.9422 min: 0.3874 max: 2.5356 USE_META, weight: 0.4179 cost: 1.7767 min: 0.3874 max: 2.5356 USE_META, weight: 0.4170 cost: 1.7789 min: 0.3874 max: 2.5356 USE_META, weight: 0.5480 cost: 1.4663 min: 0.3874 max: 2.5356 USE_META, weight: 0.4168 cost: 1.7793 min: 0.3874 max: 2.5356 USE_META, weight: 0.2173 cost: 2.2557 min: 0.3874 max: 2.5356 USE_META, weight: 0.2157 cost: 2.2594 min: 0.3874 max: 2.5356 USE_META, weight: 0.5139 cost: 1.5476 min: 0.3874 max: 2.5356 USE_META, weight: 0.4420 cost: 1.7192 min: 0.3874 max: 2.5356 USE_META, weight: 0.5643 cost: 1.4274 min: 0.3874 max: 2.5356 USE_META, weight: 0.3278 cost: 1.9919 min: 0.3874 max: 2.5356 USE_META, weight: 0.6320 cost: 1.2658 min: 0.3874 max: 2.5356 USE_META, weight: 0.1000 cost: 2.5356 min: 0.3874 max: 2.5356 USE_META, weight: 0.2942 cost: 2.0721 min: 0.3874 max: 2.5356 USE_META, weight: 0.5643 cost: 1.4274 min: 0.3874 max: 2.5356 USE_META, weight: 0.6320 cost: 1.2658 min: 0.3874 max: 2.5356 USE_META, weight: 0.6484 cost: 1.2265 min: 0.3874 max: 2.5356 USE_META, weight: 0.5436 cost: 1.4768 min: 0.3874 max: 2.5356 USE_META, weight: 0.5879 cost: 1.3709 min: 0.3874 max: 2.5356 USE_META, weight: 0.7801 cost: 0.9124 min: 0.3874 max: 2.5356 USE_META, weight: 0.2611 cost: 2.1509 min: 0.3874 max: 2.5356 USE_META, weight: 0.2695 cost: 2.1311 min: 0.3874 max: 2.5356 USE_META, weight: 0.2490 cost: 2.1800 min: 0.3874 max: 2.5356 USE_META, weight: 0.1674 cost: 2.3748 min: 0.3874 max: 2.5356 USE_META, weight: 0.3925 cost: 1.8374 min: 0.3874 max: 2.5356 USE_META, weight: 0.7625 cost: 0.9542 min: 0.3874 max: 2.5356 USE_META, weight: 0.3822 cost: 1.8621 min: 0.3874 max: 2.5356 USE_META, weight: 0.7429 cost: 1.0011 min: 0.3874 max: 2.5356 USE_META, weight: 0.9093 cost: 0.6039 min: 0.3874 max: 2.5356 USE_META, weight: 0.9093 cost: 0.6040 min: 0.3874 max: 2.5356 USE_META, weight: 0.3869 cost: 1.8508 min: 0.3874 max: 2.5356 USE_META, weight: 0.4693 cost: 1.6540 min: 0.3874 max: 2.5356 USE_META, weight: 0.4076 cost: 1.8014 min: 0.3874 max: 2.5356 USE_META, weight: 0.4132 cost: 1.7881 min: 0.3874 max: 2.5356 USE_META, weight: 0.4903 cost: 1.6040 min: 0.3874 max: 2.5356 USE_META, weight: 0.6267 cost: 1.2785 min: 0.3874 max: 2.5356 USE_META, weight: 0.6267 cost: 1.2785 min: 0.3874 max: 2.5356 USE_META, weight: 0.6268 cost: 1.2782 min: 0.3874 max: 2.5356 USE_META, weight: 0.6267 cost: 1.2784 min: 0.3874 max: 2.5356 USE_META, weight: 0.6268 cost: 1.2783 min: 0.3874 max: 2.5356 USE_META, weight: 0.5808 cost: 1.3880 min: 0.3874 max: 2.5356 USE_META, weight: 0.9093 cost: 0.6040 min: 0.3874 max: 2.5356 USE_META, weight: 0.3372 cost: 1.9694 min: 0.3874 max: 2.5356 USE_META, weight: 0.9126 cost: 0.5960 min: 0.3874 max: 2.5356 USE_META, weight: 0.6198 cost: 1.2950 min: 0.3874 max: 2.5356 USE_META, weight: 0.7625 cost: 0.9542 min: 0.3874 max: 2.5356 USE_META, weight: 0.9093 cost: 0.6039 min: 0.3874 max: 2.5356 USE_META, weight: 0.9093 cost: 0.6040 min: 0.3874 max: 2.5356 USE_META, weight: 0.9093 cost: 0.6040 min: 0.3874 max: 2.5356 USE_META, weight: 0.9149 cost: 0.5906 min: 0.3874 max: 2.5356 USE_META, weight: 0.5281 cost: 1.5138 min: 0.3874 max: 2.5356 USE_META, weight: 0.2797 cost: 2.1067 min: 0.3874 max: 2.5356 USE_META, weight: 0.2628 cost: 2.1469 min: 0.3874 max: 2.5356 USE_META, weight: 0.1828 cost: 2.3380 min: 0.3874 max: 2.5356 USE_META, weight: 0.3090 cost: 2.0367 min: 0.3874 max: 2.5356 USE_META, weight: 0.6273 cost: 1.2771 min: 0.3874 max: 2.5356 USE_META, weight: 0.6278 cost: 1.2758 min: 0.3874 max: 2.5356 USE_META, weight: 0.6266 cost: 1.2788 min: 0.3874 max: 2.5356 USE_META, weight: 0.6269 cost: 1.2780 min: 0.3874 max: 2.5356 USE_META, weight: 0.6267 cost: 1.2784 min: 0.3874 max: 2.5356 USE_META, weight: 0.6273 cost: 1.2771 min: 0.3874 max: 2.5356 USE_META, weight: 0.6275 cost: 1.2766 min: 0.3874 max: 2.5356 USE_META, weight: 0.6269 cost: 1.2780 min: 0.3874 max: 2.5356 USE_META, weight: 0.6267 cost: 1.2784 min: 0.3874 max: 2.5356 USE_META, weight: 0.6274 cost: 1.2768 min: 0.3874 max: 2.5356 USE_META, weight: 0.2530 cost: 2.1703 min: 0.3874 max: 2.5356 USE_META, weight: 0.2849 cost: 2.0942 min: 0.3874 max: 2.5356 USE_META, weight: 0.2355 cost: 2.2121 min: 0.3874 max: 2.5356 USE_META, weight: 0.2334 cost: 2.2172 min: 0.3874 max: 2.5356 USE_META, weight: 0.2516 cost: 2.1738 min: 0.3874 max: 2.5356 USE_META, weight: 0.6157 cost: 1.3046 min: 0.3874 max: 2.5356 USE_META, weight: 0.4042 cost: 1.8096 min: 0.3874 max: 2.5356 USE_META, weight: 0.4201 cost: 1.7717 min: 0.3874 max: 2.5356 USE_META, weight: 0.5352 cost: 1.4967 min: 0.3874 max: 2.5356 USE_META, weight: 0.6241 cost: 1.2846 min: 0.3874 max: 2.5356 USE_META, weight: 0.6271 cost: 1.2775 min: 0.3874 max: 2.5356 USE_META, weight: 0.6271 cost: 1.2776 min: 0.3874 max: 2.5356 USE_META, weight: 0.6273 cost: 1.2771 min: 0.3874 max: 2.5356 USE_META, weight: 0.6273 cost: 1.2771 min: 0.3874 max: 2.5356 USE_META, weight: 0.3506 cost: 1.9375 min: 0.3874 max: 2.5356 USE_META, weight: 0.7400 cost: 1.0081 min: 0.3874 max: 2.5356 USE_META, weight: 0.9149 cost: 0.5906 min: 0.3874 max: 2.5356 USE_META, weight: 0.2944 cost: 2.0715 min: 0.3874 max: 2.5356 USE_META, weight: 0.3679 cost: 1.8961 min: 0.3874 max: 2.5356 USE_META, weight: 0.2844 cost: 2.0954 min: 0.3874 max: 2.5356 USE_META, weight: 0.3341 cost: 1.9767 min: 0.3874 max: 2.5356 USE_META, weight: 0.3358 cost: 1.9728 min: 0.3874 max: 2.5356 USE_META, weight: 0.2963 cost: 2.0670 min: 0.3874 max: 2.5356 USE_META, weight: 0.4937 cost: 1.5958 min: 0.3874 max: 2.5356 USE_META, weight: 0.8263 cost: 0.8019 min: 0.3874 max: 2.5356 USE_META, weight: 0.7955 cost: 0.8756 min: 0.3874 max: 2.5356 USE_META, weight: 0.7859 cost: 0.8984 min: 0.3874 max: 2.5356 USE_META, weight: 0.5191 cost: 1.5353 min: 0.3874 max: 2.5356 USE_META, weight: 0.2698 cost: 2.1304 min: 0.3874 max: 2.5356 USE_META, weight: 0.5102 cost: 1.5565 min: 0.3874 max: 2.5356 USE_META, weight: 0.4763 cost: 1.6375 min: 0.3874 max: 2.5356 USE_META, weight: 0.6310 cost: 1.2681 min: 0.3874 max: 2.5356 USE_META, weight: 0.5627 cost: 1.4312 min: 0.3874 max: 2.5356 USE_META, weight: 0.3856 cost: 1.8539 min: 0.3874 max: 2.5356 USE_META, weight: 0.2641 cost: 2.1438 min: 0.3874 max: 2.5356 USE_META, weight: 0.5140 cost: 1.5473 min: 0.3874 max: 2.5356 USE_META, weight: 0.5545 cost: 1.4507 min: 0.3874 max: 2.5356 USE_META, weight: 0.3044 cost: 2.0476 min: 0.3874 max: 2.5356 USE_META, weight: 0.4879 cost: 1.6098 min: 0.3874 max: 2.5356 USE_META, weight: 0.2844 cost: 2.0954 min: 0.3874 max: 2.5356 USE_META, weight: 0.3852 cost: 1.8548 min: 0.3874 max: 2.5356 USE_META, weight: 0.4730 cost: 1.6453 min: 0.3874 max: 2.5356 USE_META, weight: 0.4885 cost: 1.6082 min: 0.3874 max: 2.5356 USE_META, weight: 0.3313 cost: 1.9834 min: 0.3874 max: 2.5356 USE_META, weight: 0.4930 cost: 1.5976 min: 0.3874 max: 2.5356 USE_META, weight: 0.4910 cost: 1.6022 min: 0.3874 max: 2.5356 USE_META, weight: 0.4488 cost: 1.7031 min: 0.3874 max: 2.5356 USE_META, weight: 0.7497 cost: 0.9849 min: 0.3874 max: 2.5356 USE_META, weight: 0.6212 cost: 1.2915 min: 0.3874 max: 2.5356 USE_META, weight: 0.6900 cost: 1.1273 min: 0.3874 max: 2.5356 USE_META, weight: 0.6270 cost: 1.2777 min: 0.3874 max: 2.5356 USE_META, weight: 0.5549 cost: 1.4499 min: 0.3874 max: 2.5356 USE_META, weight: 0.3085 cost: 2.0379 min: 0.3874 max: 2.5356 USE_META, weight: 0.3357 cost: 1.9730 min: 0.3874 max: 2.5356 USE_META, weight: 0.2609 cost: 2.1515 min: 0.3874 max: 2.5356 USE_META, weight: 0.2713 cost: 2.1266 min: 0.3874 max: 2.5356 USE_META, weight: 0.2832 cost: 2.0982 min: 0.3874 max: 2.5356 USE_META, weight: 0.1854 cost: 2.3316 min: 0.3874 max: 2.5356 USE_META, weight: 0.3692 cost: 1.8930 min: 0.3874 max: 2.5356 USE_META, weight: 0.3667 cost: 1.8990 min: 0.3874 max: 2.5356 USE_META, weight: 0.3666 cost: 1.8992 min: 0.3874 max: 2.5356 USE_META, weight: 0.3731 cost: 1.8836 min: 0.3874 max: 2.5356 USE_META, weight: 0.3668 cost: 1.8987 min: 0.3874 max: 2.5356 USE_META, weight: 0.3684 cost: 1.8950 min: 0.3874 max: 2.5356 USE_META, weight: 0.2980 cost: 2.0630 min: 0.3874 max: 2.5356 USE_META, weight: 0.3720 cost: 1.8863 min: 0.3874 max: 2.5356 USE_META, weight: 0.3686 cost: 1.8944 min: 0.3874 max: 2.5356 USE_META, weight: 0.3720 cost: 1.8863 min: 0.3874 max: 2.5356 USE_META, weight: 0.7933 cost: 0.8808 min: 0.3874 max: 2.5356 USE_META, weight: 0.4610 cost: 1.6739 min: 0.3874 max: 2.5356 USE_META, weight: 0.5459 cost: 1.4712 min: 0.3874 max: 2.5356 USE_META, weight: 0.5610 cost: 1.4351 min: 0.3874 max: 2.5356 USE_META, weight: 0.4682 cost: 1.6567 min: 0.3874 max: 2.5356 USE_META, weight: 0.4371 cost: 1.7309 min: 0.3874 max: 2.5356 USE_META, weight: 0.2904 cost: 2.0812 min: 0.3874 max: 2.5356 USE_META, weight: 0.2979 cost: 2.0632 min: 0.3874 max: 2.5356 USE_META, weight: 0.2661 cost: 2.1392 min: 0.3874 max: 2.5356 USE_META, weight: 0.3107 cost: 2.0327 min: 0.3874 max: 2.5356 USE_META, weight: 0.3067 cost: 2.0422 min: 0.3874 max: 2.5356 USE_META, weight: 0.7836 cost: 0.9040 min: 0.3874 max: 2.5356 USE_META, weight: 0.8079 cost: 0.8460 min: 0.3874 max: 2.5356 USE_META, weight: 0.7735 cost: 0.9280 min: 0.3874 max: 2.5356 USE_META, weight: 0.7529 cost: 0.9773 min: 0.3874 max: 2.5356 USE_META, weight: 0.5802 cost: 1.3893 min: 0.3874 max: 2.5356 USE_META, weight: 0.4332 cost: 1.7403 min: 0.3874 max: 2.5356 USE_META, weight: 0.3703 cost: 1.8905 min: 0.3874 max: 2.5356 USE_META, weight: 0.3101 cost: 2.0340 min: 0.3874 max: 2.5356 USE_META, weight: 0.4694 cost: 1.6539 min: 0.3874 max: 2.5356 USE_META, weight: 0.3105 cost: 2.0331 min: 0.3874 max: 2.5356 USE_META, weight: 0.6140 cost: 1.3086 min: 0.3874 max: 2.5356 USE_META, weight: 0.3909 cost: 1.8412 min: 0.3874 max: 2.5356 USE_META, weight: 0.5852 cost: 1.3775 min: 0.3874 max: 2.5356 USE_META, weight: 0.4151 cost: 1.7835 min: 0.3874 max: 2.5356 USE_META, weight: 0.4114 cost: 1.7922 min: 0.3874 max: 2.5356 USE_META, weight: 0.6180 cost: 1.2993 min: 0.3874 max: 2.5356 USE_META, weight: 0.4046 cost: 1.8085 min: 0.3874 max: 2.5356 USE_META, weight: 0.5962 cost: 1.3512 min: 0.3874 max: 2.5356 USE_META, weight: 0.3617 cost: 1.9109 min: 0.3874 max: 2.5356 USE_META, weight: 0.3647 cost: 1.9038 min: 0.3874 max: 2.5356 USE_META, weight: 0.8079 cost: 0.8460 min: 0.3874 max: 2.5356 USE_META, weight: 0.5299 cost: 1.5095 min: 0.3874 max: 2.5356 USE_META, weight: 0.7950 cost: 0.8767 min: 0.3874 max: 2.5356 USE_META, weight: 0.4587 cost: 1.6794 min: 0.3874 max: 2.5356 USE_META, weight: 0.7529 cost: 0.9773 min: 0.3874 max: 2.5356 USE_META, weight: 0.4440 cost: 1.7145 min: 0.3874 max: 2.5356 USE_META, weight: 0.4258 cost: 1.7580 min: 0.3874 max: 2.5356 USE_META, weight: 0.4315 cost: 1.7444 min: 0.3874 max: 2.5356 USE_META, weight: 0.4604 cost: 1.6753 min: 0.3874 max: 2.5356 USE_META, weight: 0.4210 cost: 1.7694 min: 0.3874 max: 2.5356 USE_META, weight: 0.6270 cost: 1.2776 min: 0.3874 max: 2.5356 USE_META, weight: 0.6273 cost: 1.2771 min: 0.3874 max: 2.5356 USE_META, weight: 0.6273 cost: 1.2771 min: 0.3874 max: 2.5356 USE_META, weight: 0.6273 cost: 1.2771 min: 0.3874 max: 2.5356 USE_META, weight: 0.6273 cost: 1.2771 min: 0.3874 max: 2.5356 USE_META, weight: 0.6273 cost: 1.2771 min: 0.3874 max: 2.5356 USE_META, weight: 0.8330 cost: 0.7860 min: 0.3874 max: 2.5356 USE_META, weight: 0.8600 cost: 0.7216 min: 0.3874 max: 2.5356 USE_META, weight: 0.6633 cost: 1.1911 min: 0.3874 max: 2.5356 USE_META, weight: 0.6599 cost: 1.1991 min: 0.3874 max: 2.5356 USE_META, weight: 1.0000 cost: 0.3874 min: 0.3874 max: 2.5356 USE_META, weight: 0.3201 cost: 2.0102 min: 0.3874 max: 2.5356 USE_META, weight: 0.7861 cost: 0.8979 min: 0.3874 max: 2.5356 USE_META, weight: 0.3436 cost: 1.9541 min: 0.3874 max: 2.5356 USE_META, weight: 0.4694 cost: 1.6539 min: 0.3874 max: 2.5356 USE_META, weight: 0.2701 cost: 2.1296 min: 0.3874 max: 2.5356 USE_META, weight: 0.3988 cost: 1.8223 min: 0.3874 max: 2.5356 USE_META, weight: 0.3269 cost: 1.9940 min: 0.3874 max: 2.5356 USE_META, weight: 0.3677 cost: 1.8966 min: 0.3874 max: 2.5356 USE_META, weight: 0.3860 cost: 1.8529 min: 0.3874 max: 2.5356 USE_META, weight: 0.2912 cost: 2.0791 min: 0.3874 max: 2.5356 USE_META, weight: 0.3085 cost: 2.0379 min: 0.3874 max: 2.5356 USE_META, weight: 0.7675 cost: 0.9423 min: 0.3874 max: 2.5356 USE_META, weight: 0.5047 cost: 1.5695 min: 0.3874 max: 2.5356 USE_META, weight: 0.4736 cost: 1.6438 min: 0.3874 max: 2.5356 USE_META, weight: 0.3533 cost: 1.9311 min: 0.3874 max: 2.5356 USE_META, weight: 0.6269 cost: 1.2779 min: 0.3874 max: 2.5356 USE_META, weight: 0.6270 cost: 1.2777 min: 0.3874 max: 2.5356 USE_META, weight: 0.6269 cost: 1.2778 min: 0.3874 max: 2.5356 USE_META, weight: 0.6273 cost: 1.2771 min: 0.3874 max: 2.5356 USE_META, weight: 0.6273 cost: 1.2771 min: 0.3874 max: 2.5356 USE_META, weight: 0.3417 cost: 1.9586 min: 0.3874 max: 2.5356 USE_META, weight: 0.6273 cost: 1.2771 min: 0.3874 max: 2.5356 USE_META, weight: 0.6273 cost: 1.2771 min: 0.3874 max: 2.5356 USE_META, weight: 0.6273 cost: 1.2771 min: 0.3874 max: 2.5356 USE_META, weight: 0.8684 cost: 0.7015 min: 0.3874 max: 2.5356 USE_META, weight: 0.8396 cost: 0.7703 min: 0.3874 max: 2.5356 USE_META, weight: 0.8094 cost: 0.8424 min: 0.3874 max: 2.5356 USE_META, weight: 0.8162 cost: 0.8260 min: 0.3874 max: 2.5356 USE_META, weight: 0.8260 cost: 0.8027 min: 0.3874 max: 2.5356 USE_META, weight: 0.4381 cost: 1.7285 min: 0.3874 max: 2.5356 USE_META, weight: 0.3721 cost: 1.8861 min: 0.3874 max: 2.5356 USE_META, weight: 0.6268 cost: 1.2783 min: 0.3874 max: 2.5356 USE_META, weight: 0.6273 cost: 1.2771 min: 0.3874 max: 2.5356 USE_META, weight: 0.6273 cost: 1.2771 min: 0.3874 max: 2.5356 USE_META, weight: 0.6269 cost: 1.2778 min: 0.3874 max: 2.5356 USE_META, weight: 0.6273 cost: 1.2771 min: 0.3874 max: 2.5356 USE_META, weight: 0.2560 cost: 2.1632 min: 0.3874 max: 2.5356 USE_META, weight: 0.3405 cost: 1.9616 min: 0.3874 max: 2.5356 USE_META, weight: 0.4125 cost: 1.7896 min: 0.3874 max: 2.5356 USE_META, weight: 0.2035 cost: 2.2886 min: 0.3874 max: 2.5356 USE_META, weight: 0.2008 cost: 2.2950 min: 0.3874 max: 2.5356 USE_META, weight: 0.2450 cost: 2.1894 min: 0.3874 max: 2.5356 USE_META, weight: 0.2299 cost: 2.2256 min: 0.3874 max: 2.5356 USE_META, weight: 0.2913 cost: 2.0790 min: 0.3874 max: 2.5356 USE_META, weight: 0.1327 cost: 2.4575 min: 0.3874 max: 2.5356 USE_META, weight: 0.1042 cost: 2.5254 min: 0.3874 max: 2.5356 USE_META, weight: 0.4171 cost: 1.7786 min: 0.3874 max: 2.5356 USE_META, weight: 0.6466 cost: 1.2310 min: 0.3874 max: 2.5356 USE_META, weight: 0.5000 cost: 1.5809 min: 0.3874 max: 2.5356 USE_META, weight: 0.3676 cost: 1.8969 min: 0.3874 max: 2.5356 USE_META, weight: 0.5058 cost: 1.5670 min: 0.3874 max: 2.5356 USE_META, weight: 0.4753 cost: 1.6398 min: 0.3874 max: 2.5356 USE_META, weight: 0.5144 cost: 1.5464 min: 0.3874 max: 2.5356 USE_META, weight: 0.5674 cost: 1.4200 min: 0.3874 max: 2.5356 USE_META, weight: 0.3209 cost: 2.0084 min: 0.3874 max: 2.5356 USE_META, weight: 0.3899 cost: 1.8436 min: 0.3874 max: 2.5356 USE_META, weight: 0.8513 cost: 0.7425 min: 0.3874 max: 2.5356 USE_META, weight: 0.4054 cost: 1.8065 min: 0.3874 max: 2.5356 USE_META, weight: 0.3446 cost: 1.9517 min: 0.3874 max: 2.5356 USE_META, weight: 0.3629 cost: 1.9082 min: 0.3874 max: 2.5356 USE_META, weight: 0.3470 cost: 1.9459 min: 0.3874 max: 2.5356 USE_META, weight: 0.3495 cost: 1.9402 min: 0.3874 max: 2.5356 USE_META, weight: 0.3828 cost: 1.8606 min: 0.3874 max: 2.5356 USE_EVALUE, weight: 0.8774 eval: 4.4698 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.8774 eval: 4.4698 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.8774 eval: 4.4698 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.5013 eval: 18.1760 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.5013 eval: 18.1760 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.5013 eval: 18.1760 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.4674 eval: 19.4110 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.4674 eval: 19.4110 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.4674 eval: 19.4110 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.5315 eval: 17.0760 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.5315 eval: 17.0760 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.5315 eval: 17.0760 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.9760 eval: 0.8750 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.9760 eval: 0.8750 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.9760 eval: 0.8750 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.6716 eval: 11.9690 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.6716 eval: 11.9690 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.6716 eval: 11.9690 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.5738 eval: 15.5320 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.5738 eval: 15.5320 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.2427 eval: 27.6000 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.2427 eval: 27.6000 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.2427 eval: 27.6000 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.8268 eval: 6.3122 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.8268 eval: 6.3122 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.8268 eval: 6.3122 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.6297 eval: 13.4950 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.6297 eval: 13.4950 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.6297 eval: 13.4950 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.8485 eval: 5.5237 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.8485 eval: 5.5237 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.8485 eval: 5.5237 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.5299 eval: 17.1350 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.5299 eval: 17.1350 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.5299 eval: 17.1350 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.6467 eval: 12.8750 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.6467 eval: 12.8750 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.6467 eval: 12.8750 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 1.0000 eval: 0.0016 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 1.0000 eval: 0.0016 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 1.0000 eval: 0.0016 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.4852 eval: 18.7610 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.4852 eval: 18.7610 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.4852 eval: 18.7610 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.5860 eval: 15.0890 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.5860 eval: 15.0890 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.5860 eval: 15.0890 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.8571 eval: 5.2095 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.8571 eval: 5.2095 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.8571 eval: 5.2095 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.5586 eval: 16.0870 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.5586 eval: 16.0870 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.5586 eval: 16.0870 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.6353 eval: 13.2920 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.6353 eval: 13.2920 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.6353 eval: 13.2920 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.8052 eval: 7.1003 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.8052 eval: 7.1003 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.8052 eval: 7.1003 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.2427 eval: 27.6000 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.2427 eval: 27.6000 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.2427 eval: 27.6000 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.9272 eval: 2.6551 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.9272 eval: 2.6551 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.9272 eval: 2.6551 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.1000 eval: 32.8000 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.1000 eval: 32.8000 min: 0.0016 max: 32.8000 USE_EVALUE, weight: 0.1000 eval: 32.8000 min: 0.0016 max: 32.8000 Number of contacts in models: 260 Number of contacts in alignments: 68 NUMB_ALIGNS: 68 Adding 14040 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: -371.6625, CN propb: -371.6625 weights: 0.1574 constraints: 715 # command:Found ConstraintSet # PrintContacts align.constraints_meta03 Number of constraints in align3.constraints 715 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta03 Number of constraints in align3.constraints.bonus 715 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta03 Number of constraints in rejected3.constraints 13325 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta03 Number of constraints in rejected3.constraints.bonus 13325 # 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 14040 # command: