# 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/T0306/ # command:# Making conformation for sequence T0306 numbered 1 through 95 Created new target T0306 from T0306.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0306/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0306//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0306/manyalignments-good-all.under or /projects/compbio/experiments/protein-predict/casp7/T0306//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0306/manyalignments-good-all.under.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0306/manyalignments-good-all.under # reading script from file /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0306/manyalignments-good-all.under # Reading fragments from alignment file # Attempting to read fragment alignments from file 1g0uI/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1g0uI expands to /projects/compbio/data/pdb/1g0u.pdb.gz 1g0uI:# T0306 read from 1g0uI/merged-good-all-a2m # 1g0uI read from 1g0uI/merged-good-all-a2m # adding 1g0uI to template set # found chain 1g0uI in template set T0306 21 :HDKLLMVEM 1g0uI -2 :NGGIVVAMT # choosing archetypes in rotamer library T0306 36 :PDGQCAVAIDNIGAGT 1g0uI 8 :GKDCVAIACDLRLGSQ T0306 52 :GEWVLLVSG 1g0uI 39 :GHVFLGITG T0306 62 :SARQA 1g0uI 58 :MFRYK T0306 67 :HKSETSPVDLCVIGI 1g0uI 90 :RRFGPYFVGPVVAGI T0306 82 :V 1g0uI 110 :I Number of specific fragments extracted= 6 number of extra gaps= 0 total=6 Number of alignments=1 # 1g0uI read from 1g0uI/merged-good-all-a2m # found chain 1g0uI in template set T0306 21 :HDKLLMVEM 1g0uI -2 :NGGIVVAMT T0306 36 :PDGQCAVAIDNIGAGT 1g0uI 8 :GKDCVAIACDLRLGSQ T0306 52 :GEWVLLVSG 1g0uI 39 :GHVFLGITG T0306 61 :SSARQA 1g0uI 57 :EMFRYK T0306 68 :KSETSPVDLCVIGI 1g0uI 91 :RFGPYFVGPVVAGI T0306 82 :V 1g0uI 110 :I Number of specific fragments extracted= 6 number of extra gaps= 0 total=12 Number of alignments=2 # 1g0uI read from 1g0uI/merged-good-all-a2m # found chain 1g0uI in template set T0306 21 :HDKLLMVEM 1g0uI -2 :NGGIVVAMT T0306 36 :PDGQCAVAIDNIGAGT 1g0uI 8 :GKDCVAIACDLRLGSQ T0306 52 :GEWVLLVSG 1g0uI 39 :GHVFLGITG Number of specific fragments extracted= 3 number of extra gaps= 0 total=15 Number of alignments=3 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1pgl1/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1pgl1 expands to /projects/compbio/data/pdb/1pgl.pdb.gz 1pgl1:# T0306 read from 1pgl1/merged-good-all-a2m # 1pgl1 read from 1pgl1/merged-good-all-a2m # adding 1pgl1 to template set # found chain 1pgl1 in template set T0306 17 :HGLAHDKLLMVE 1pgl1 4 :QQTVWNQMATVR T0306 30 :IDPQGNPD 1pgl1 16 :TPLNFDSS T0306 38 :GQCAVAIDNIGAG 1pgl1 26 :SFCQFSVDLLGGG T0306 51 :TGEWVLLVSGSSARQAH 1pgl1 44 :TGDWITLVQNSPISNLL Number of specific fragments extracted= 4 number of extra gaps= 0 total=19 Number of alignments=4 # 1pgl1 read from 1pgl1/merged-good-all-a2m # found chain 1pgl1 in template set T0306 17 :HGLAHDKLLMVE 1pgl1 4 :QQTVWNQMATVR T0306 30 :IDPQGNPD 1pgl1 16 :TPLNFDSS T0306 38 :GQCAVAIDNIGAG 1pgl1 26 :SFCQFSVDLLGGG T0306 51 :TGEWVLLVSGSSARQAH 1pgl1 44 :TGDWITLVQNSPISNLL Number of specific fragments extracted= 4 number of extra gaps= 0 total=23 Number of alignments=5 # 1pgl1 read from 1pgl1/merged-good-all-a2m # found chain 1pgl1 in template set T0306 21 :HDKLLMVE 1pgl1 8 :WNQMATVR T0306 30 :IDPQGN 1pgl1 16 :TPLNFD T0306 36 :PDGQCAVAIDNIGAG 1pgl1 24 :KQSFCQFSVDLLGGG T0306 51 :TGEWVLLVSGSSARQAHKS 1pgl1 44 :TGDWITLVQNSPISNLLRV T0306 74 :VDLCVIGIVDEVVSG 1pgl1 67 :KGCLMVKVVMSGNAA Number of specific fragments extracted= 5 number of extra gaps= 0 total=28 Number of alignments=6 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2ae0X/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2ae0X expands to /projects/compbio/data/pdb/2ae0.pdb.gz 2ae0X:# T0306 read from 2ae0X/merged-good-all-a2m # 2ae0X read from 2ae0X/merged-good-all-a2m # adding 2ae0X to template set # found chain 2ae0X in template set T0306 12 :CTVRHHGLAHDKLLMVEMI 2ae0X 258 :VASDRSIIPPGTTLLAEVP T0306 31 :DPQGNPDG 2ae0X 279 :DNNGKFNG T0306 39 :QCAVAIDNIGAGTGEWVLLV 2ae0X 291 :RLMVALDVGGAIKGQHFDIY T0306 60 :GSSARQAHKSETSPVDLCVI 2ae0X 314 :GPEAGHRAGWYNHYGRVWVL Number of specific fragments extracted= 4 number of extra gaps= 0 total=32 Number of alignments=7 # 2ae0X read from 2ae0X/merged-good-all-a2m # found chain 2ae0X in template set T0306 12 :CTVRHHGLAHDKLLMVEMI 2ae0X 258 :VASDRSIIPPGTTLLAEVP T0306 31 :DPQGNPDG 2ae0X 279 :DNNGKFNG T0306 39 :QCAVAIDNIGAGTGEWVLLVS 2ae0X 291 :RLMVALDVGGAIKGQHFDIYQ T0306 60 :GSSARQAHKSETSPVDLCVI 2ae0X 314 :GPEAGHRAGWYNHYGRVWVL Number of specific fragments extracted= 4 number of extra gaps= 0 total=36 Number of alignments=8 # 2ae0X read from 2ae0X/merged-good-all-a2m # found chain 2ae0X in template set T0306 11 :VCTVRHHGLAHDKLLMVEMI 2ae0X 257 :SVASDRSIIPPGTTLLAEVP T0306 31 :DPQGNPDGQC 2ae0X 279 :DNNGKFNGQY T0306 41 :AVAIDNIGAGTGEWVLLV 2ae0X 293 :MVALDVGGAIKGQHFDIY T0306 59 :SGSSARQAHKSETSPVDLCVI 2ae0X 313 :IGPEAGHRAGWYNHYGRVWVL Number of specific fragments extracted= 4 number of extra gaps= 0 total=40 Number of alignments=9 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1mrg/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1mrg expands to /projects/compbio/data/pdb/1mrg.pdb.gz 1mrg:Warning: there is no chain 1mrg will retry with 1mrgA Skipped atom 678, because occupancy 0.5 <= existing 0.500 in 1mrg Skipped atom 680, because occupancy 0.500 <= existing 0.500 in 1mrg Skipped atom 682, because occupancy 0.500 <= existing 0.500 in 1mrg Skipped atom 684, because occupancy 0.500 <= existing 0.500 in 1mrg Skipped atom 686, because occupancy 0.500 <= existing 0.500 in 1mrg Skipped atom 688, because occupancy 0.500 <= existing 0.500 in 1mrg Skipped atom 690, because occupancy 0.500 <= existing 0.500 in 1mrg Skipped atom 692, because occupancy 0.500 <= existing 0.500 in 1mrg # T0306 read from 1mrg/merged-good-all-a2m # 1mrg read from 1mrg/merged-good-all-a2m # adding 1mrg to template set # found chain 1mrg in template set Warning: unaligning (T0306)Q39 because of BadResidue code BAD_PEPTIDE in next template residue (1mrg)I60 Warning: unaligning (T0306)C40 because of BadResidue code BAD_PEPTIDE at template residue (1mrg)I60 Warning: unaligning (T0306)T51 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1mrg)D77 Warning: unaligning (T0306)G52 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1mrg)D77 T0306 12 :CTVRHHGLAHD 1mrg 34 :IPLLLPSVSGA T0306 23 :KLLMVEMIDPQGN 1mrg 46 :RYLLMHLFNRDGK T0306 41 :AVAID 1mrg 61 :TVAVD T0306 46 :NIGAG 1mrg 71 :IMGYL T0306 53 :EWVLLVSGSSARQAHKS 1mrg 78 :TTSYFFNEPAAELASQY Number of specific fragments extracted= 5 number of extra gaps= 2 total=45 Number of alignments=10 # 1mrg read from 1mrg/merged-good-all-a2m # found chain 1mrg in template set Warning: unaligning (T0306)Q39 because of BadResidue code BAD_PEPTIDE in next template residue (1mrg)I60 Warning: unaligning (T0306)C40 because of BadResidue code BAD_PEPTIDE at template residue (1mrg)I60 Warning: unaligning (T0306)T51 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1mrg)D77 Warning: unaligning (T0306)G52 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1mrg)D77 T0306 12 :CTVRHHGLAHD 1mrg 34 :IPLLLPSVSGA T0306 23 :KLLMVEMIDPQGN 1mrg 46 :RYLLMHLFNRDGK T0306 41 :AVAID 1mrg 61 :TVAVD T0306 46 :NIGAG 1mrg 71 :IMGYL T0306 53 :EWVLLVSGSSARQAHKS 1mrg 78 :TTSYFFNEPAAELASQY Number of specific fragments extracted= 5 number of extra gaps= 2 total=50 Number of alignments=11 # 1mrg read from 1mrg/merged-good-all-a2m # found chain 1mrg in template set Warning: unaligning (T0306)Q39 because of BadResidue code BAD_PEPTIDE in next template residue (1mrg)I60 Warning: unaligning (T0306)C40 because of BadResidue code BAD_PEPTIDE at template residue (1mrg)I60 Warning: unaligning (T0306)T51 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1mrg)D77 Warning: unaligning (T0306)G52 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1mrg)D77 T0306 12 :CTVRHHGLAHD 1mrg 34 :IPLLLPSVSGA T0306 23 :KLLMVEMIDPQGN 1mrg 46 :RYLLMHLFNRDGK T0306 41 :AVAID 1mrg 61 :TVAVD T0306 46 :NIGAG 1mrg 71 :IMGYL T0306 53 :EWVLLVSGSSARQAHKS 1mrg 78 :TTSYFFNEPAAELASQY Number of specific fragments extracted= 5 number of extra gaps= 2 total=55 Number of alignments=12 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2c3mA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2c3mA expands to /projects/compbio/data/pdb/2c3m.pdb.gz 2c3mA:# T0306 read from 2c3mA/merged-good-all-a2m # 2c3mA read from 2c3mA/merged-good-all-a2m # adding 2c3mA to template set # found chain 2c3mA in template set T0306 44 :IDNIGAGTGEWVLLVSG 2c3mA 261 :FDYVGAPDAERVIVSMG T0306 61 :SSARQAHKSETSPVDLCVIGIV 2c3mA 284 :EEVINHLAAKGEKIGLIKVRLY Number of specific fragments extracted= 2 number of extra gaps= 0 total=57 Number of alignments=13 # 2c3mA read from 2c3mA/merged-good-all-a2m # found chain 2c3mA in template set T0306 44 :IDNIGAGTGEWVLLVSG 2c3mA 261 :FDYVGAPDAERVIVSMG T0306 61 :SSARQAHKSETSPVDLCVIGIV 2c3mA 284 :EEVINHLAAKGEKIGLIKVRLY Number of specific fragments extracted= 2 number of extra gaps= 0 total=59 Number of alignments=14 # 2c3mA read from 2c3mA/merged-good-all-a2m # found chain 2c3mA in template set T0306 44 :IDNIGAGTGEWVLLVSGSS 2c3mA 261 :FDYVGAPDAERVIVSMGSS T0306 63 :ARQAHKSETSPVDLCVIGIVD 2c3mA 286 :VINHLAAKGEKIGLIKVRLYR Number of specific fragments extracted= 2 number of extra gaps= 0 total=61 Number of alignments=15 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1mrj/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0306 read from 1mrj/merged-good-all-a2m # 1mrj read from 1mrj/merged-good-all-a2m # found chain 1mrj in training set Warning: unaligning (T0306)K23 because of BadResidue code BAD_PEPTIDE at template residue (1mrj)R46 T0306 12 :CTVRHHGLAH 1mrj 34 :IPLLRSSLPG T0306 24 :LLMVEMIDPQGN 1mrj 47 :YALIHLTNYADE T0306 39 :QCAVAID 1mrj 59 :TISVAID T0306 46 :NIGAGTGEWVLLVSGSSARQAHKS 1mrj 71 :IMGYRAGDTSYFFNEASATEAAKY Number of specific fragments extracted= 4 number of extra gaps= 1 total=65 Number of alignments=16 # 1mrj read from 1mrj/merged-good-all-a2m # found chain 1mrj in training set Warning: unaligning (T0306)K23 because of BadResidue code BAD_PEPTIDE at template residue (1mrj)R46 T0306 12 :CTVRHHGLAH 1mrj 34 :IPLLRSSLPG T0306 24 :LLMVEMIDPQGN 1mrj 47 :YALIHLTNYADE T0306 39 :QCAVAID 1mrj 59 :TISVAID T0306 46 :NIGAGTGEWVLLVSGSSARQAHKS 1mrj 71 :IMGYRAGDTSYFFNEASATEAAKY Number of specific fragments extracted= 4 number of extra gaps= 1 total=69 Number of alignments=17 # 1mrj read from 1mrj/merged-good-all-a2m # found chain 1mrj in training set T0306 23 :KLLMVE 1mrj 48 :ALIHLT T0306 31 :DPQG 1mrj 54 :NYAD T0306 38 :GQCAVAID 1mrj 58 :ETISVAID T0306 46 :NIGAGTGEWVLLVSGSSARQAHKS 1mrj 71 :IMGYRAGDTSYFFNEASATEAAKY Number of specific fragments extracted= 4 number of extra gaps= 0 total=73 Number of alignments=18 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1wi1A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1wi1A expands to /projects/compbio/data/pdb/1wi1.pdb.gz 1wi1A:# T0306 read from 1wi1A/merged-good-all-a2m # 1wi1A read from 1wi1A/merged-good-all-a2m # adding 1wi1A to template set # found chain 1wi1A in template set T0306 3 :LAVVT 1wi1A 32 :LVQVS T0306 8 :GQIVCTVRHHGLAHDKLL 1wi1A 39 :TFAMCSYREKKAEPQELL T0306 27 :VEMIDPQGNPDG 1wi1A 63 :VDYTDPQPGLEG T0306 39 :QCAVAI 1wi1A 77 :AFFNAV T0306 50 :GTGEWVLLVSG 1wi1A 83 :KEGDTVIFASD T0306 61 :SSARQAHKSETSP 1wi1A 103 :QAMYRATGQSHKP Number of specific fragments extracted= 6 number of extra gaps= 0 total=79 Number of alignments=19 # 1wi1A read from 1wi1A/merged-good-all-a2m # found chain 1wi1A in template set T0306 3 :LAVVT 1wi1A 32 :LVQVS T0306 8 :GQIVCTVRHHGLAHDKLL 1wi1A 39 :TFAMCSYREKKAEPQELL T0306 27 :VEMIDPQGNPDG 1wi1A 63 :VDYTDPQPGLEG T0306 39 :QCAVAI 1wi1A 77 :AFFNAV T0306 50 :GTGEWVLLVSG 1wi1A 83 :KEGDTVIFASD T0306 61 :SSARQAHKSETSP 1wi1A 103 :QAMYRATGQSHKP Number of specific fragments extracted= 6 number of extra gaps= 0 total=85 Number of alignments=20 # 1wi1A read from 1wi1A/merged-good-all-a2m # found chain 1wi1A in template set T0306 2 :KLAVVTG 1wi1A 31 :VLVQVSQ T0306 9 :QIVCTVRHHGLAHDKLL 1wi1A 40 :FAMCSYREKKAEPQELL T0306 27 :VEMIDPQGN 1wi1A 63 :VDYTDPQPG T0306 36 :PDGQCAVAI 1wi1A 74 :GGRAFFNAV T0306 50 :GTGEWVLLVSG 1wi1A 83 :KEGDTVIFASD T0306 61 :SSARQAHKSETSPV 1wi1A 103 :QAMYRATGQSHKPV Number of specific fragments extracted= 6 number of extra gaps= 0 total=91 Number of alignments=21 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1s5uA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0306 read from 1s5uA/merged-good-all-a2m # 1s5uA read from 1s5uA/merged-good-all-a2m # found chain 1s5uA in training set T0306 9 :QIVCTVRHHGLAHDKLLMVEMI 1s5uA 75 :MLEIQTEITSMRGTSLVFTQRI T0306 31 :DPQGNPDGQCAVAIDNI 1s5uA 98 :NAENTLLNEAEVLVVCV Number of specific fragments extracted= 2 number of extra gaps= 0 total=93 Number of alignments=22 # 1s5uA read from 1s5uA/merged-good-all-a2m # found chain 1s5uA in training set T0306 9 :QIVCTVRHHGLAHDKLLMVEMI 1s5uA 75 :MLEIQTEITSMRGTSLVFTQRI T0306 31 :DPQGNPDGQCAVAIDNI 1s5uA 98 :NAENTLLNEAEVLVVCV Number of specific fragments extracted= 2 number of extra gaps= 0 total=95 Number of alignments=23 # 1s5uA read from 1s5uA/merged-good-all-a2m # found chain 1s5uA in training set T0306 8 :GQIVCTVRHHGLAHDKLLMVEMI 1s5uA 74 :DMLEIQTEITSMRGTSLVFTQRI T0306 31 :DPQGNPDGQCAVAIDNIGAGTGEW 1s5uA 98 :NAENTLLNEAEVLVVCVDPLKMKP Number of specific fragments extracted= 2 number of extra gaps= 0 total=97 Number of alignments=24 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1b0pA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1b0pA expands to /projects/compbio/data/pdb/1b0p.pdb.gz 1b0pA:# T0306 read from 1b0pA/merged-good-all-a2m # 1b0pA read from 1b0pA/merged-good-all-a2m # adding 1b0pA to template set # found chain 1b0pA in template set T0306 44 :IDNIGAGTGEWVLLVSG 1b0pA 261 :FDYVGAPDAERVIVSMG T0306 61 :SSARQAHKSETSPVDLCVI 1b0pA 284 :EEVINHLAAKGEKIGLIKV Number of specific fragments extracted= 2 number of extra gaps= 0 total=99 Number of alignments=25 # 1b0pA read from 1b0pA/merged-good-all-a2m # found chain 1b0pA in template set T0306 44 :IDNIGAGTGEWVLLVSG 1b0pA 261 :FDYVGAPDAERVIVSMG T0306 61 :SSARQAHKSETSPVDLCVI 1b0pA 284 :EEVINHLAAKGEKIGLIKV Number of specific fragments extracted= 2 number of extra gaps= 0 total=101 Number of alignments=26 # 1b0pA read from 1b0pA/merged-good-all-a2m # found chain 1b0pA in template set T0306 44 :IDNIGAGTGEWVLLVSGSS 1b0pA 261 :FDYVGAPDAERVIVSMGSS T0306 63 :ARQAHKSETSPVDLCVIGIV 1b0pA 286 :VINHLAAKGEKIGLIKVRLY Number of specific fragments extracted= 2 number of extra gaps= 0 total=103 Number of alignments=27 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1q5rH/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0306/1q5rH/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0306/1q5rH/merged-good-all-a2m.gz for input Trying 1q5rH/merged-good-all-a2m Error: Couldn't open file 1q5rH/merged-good-all-a2m or 1q5rH/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1sq9A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1sq9A expands to /projects/compbio/data/pdb/1sq9.pdb.gz 1sq9A:# T0306 read from 1sq9A/merged-good-all-a2m # 1sq9A read from 1sq9A/merged-good-all-a2m # adding 1sq9A to template set # found chain 1sq9A in template set Number of specific fragments extracted= 0 number of extra gaps= 0 total=103 # 1sq9A read from 1sq9A/merged-good-all-a2m # found chain 1sq9A in template set Number of specific fragments extracted= 0 number of extra gaps= 0 total=103 # 1sq9A read from 1sq9A/merged-good-all-a2m # found chain 1sq9A in template set Warning: unaligning (T0306)S61 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1sq9A)G286 T0306 21 :HDKLLMVEMI 1sq9A 233 :SNSIRSVKFS T0306 35 :NPDGQCAVAID 1sq9A 243 :PQGSLLAIAHD T0306 46 :NIGAGTGEWVLLVSG 1sq9A 262 :LYETEFGERIGSLSV Number of specific fragments extracted= 3 number of extra gaps= 0 total=106 Number of alignments=28 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1bmv1/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1bmv1 expands to /projects/compbio/data/pdb/1bmv.pdb.gz 1bmv1:# T0306 read from 1bmv1/merged-good-all-a2m # 1bmv1 read from 1bmv1/merged-good-all-a2m # adding 1bmv1 to template set # found chain 1bmv1 in template set Warning: unaligning (T0306)G8 because of BadResidue code BAD_PEPTIDE in next template residue (1bmv1)Q1010 Warning: unaligning (T0306)Q9 because of BadResidue code BAD_PEPTIDE at template residue (1bmv1)Q1010 Warning: unaligning (T0306)N35 because of BadResidue code BAD_PEPTIDE in next template residue (1bmv1)K1024 Warning: unaligning (T0306)P36 because of BadResidue code BAD_PEPTIDE at template residue (1bmv1)K1024 Warning: unaligning (T0306)D37 because of BadResidue code BAD_PEPTIDE at template residue (1bmv1)Q1025 Warning: unaligning (T0306)G38 because of BadResidue code BAD_PEPTIDE at template residue (1bmv1)S1026 T0306 10 :IVCTVRHHGLA 1bmv1 1011 :MATVRTPLNFD T0306 34 :G 1bmv1 1022 :S T0306 39 :QCAVAIDNIGAG 1bmv1 1027 :FCQFSVDLLGGG T0306 51 :TGEWVLLVSGSSARQAHKSETSPVDLCVIGIVDEVVS 1bmv1 1044 :TGDWITLVQNSPISNLLRVAAWKKGCLMVKVVMSGNA Number of specific fragments extracted= 4 number of extra gaps= 2 total=110 Number of alignments=29 # 1bmv1 read from 1bmv1/merged-good-all-a2m # found chain 1bmv1 in template set Warning: unaligning (T0306)G8 because of BadResidue code BAD_PEPTIDE in next template residue (1bmv1)Q1010 Warning: unaligning (T0306)Q9 because of BadResidue code BAD_PEPTIDE at template residue (1bmv1)Q1010 Warning: unaligning (T0306)N35 because of BadResidue code BAD_PEPTIDE in next template residue (1bmv1)K1024 Warning: unaligning (T0306)P36 because of BadResidue code BAD_PEPTIDE at template residue (1bmv1)K1024 Warning: unaligning (T0306)D37 because of BadResidue code BAD_PEPTIDE at template residue (1bmv1)Q1025 Warning: unaligning (T0306)G38 because of BadResidue code BAD_PEPTIDE at template residue (1bmv1)S1026 T0306 10 :IVCTVRHHGLA 1bmv1 1011 :MATVRTPLNFD T0306 34 :G 1bmv1 1022 :S T0306 39 :QCAVAIDNIGAG 1bmv1 1027 :FCQFSVDLLGGG T0306 51 :TGEWVLLVSGSSARQAHKSETSPVDLCVIGIVDEVVS 1bmv1 1044 :TGDWITLVQNSPISNLLRVAAWKKGCLMVKVVMSGNA Number of specific fragments extracted= 4 number of extra gaps= 2 total=114 Number of alignments=30 # 1bmv1 read from 1bmv1/merged-good-all-a2m # found chain 1bmv1 in template set Warning: unaligning (T0306)Q9 because of BadResidue code BAD_PEPTIDE at template residue (1bmv1)Q1010 Warning: unaligning (T0306)N35 because of BadResidue code BAD_PEPTIDE in next template residue (1bmv1)K1024 Warning: unaligning (T0306)P36 because of BadResidue code BAD_PEPTIDE at template residue (1bmv1)K1024 Warning: unaligning (T0306)D37 because of BadResidue code BAD_PEPTIDE at template residue (1bmv1)Q1025 Warning: unaligning (T0306)G38 because of BadResidue code BAD_PEPTIDE at template residue (1bmv1)S1026 T0306 10 :IVCTVRHHGLA 1bmv1 1011 :MATVRTPLNFD T0306 34 :G 1bmv1 1022 :S T0306 39 :QCAVAIDNIGAG 1bmv1 1027 :FCQFSVDLLGGG T0306 51 :TGEWVLLVSGSSARQAHKSETSPVDLCVIGIVDEVV 1bmv1 1044 :TGDWITLVQNSPISNLLRVAAWKKGCLMVKVVMSGN Number of specific fragments extracted= 4 number of extra gaps= 2 total=118 Number of alignments=31 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1sqrA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1sqrA expands to /projects/compbio/data/pdb/1sqr.pdb.gz 1sqrA:# T0306 read from 1sqrA/merged-good-all-a2m # 1sqrA read from 1sqrA/merged-good-all-a2m # adding 1sqrA to template set # found chain 1sqrA in template set T0306 30 :IDPQGNPDGQCAVAIDNIGAG 1sqrA 10 :YRRSKENQHNNVMIIKPLDVN T0306 59 :SGSSARQAHKS 1sqrA 31 :SREEASKLIGR Number of specific fragments extracted= 2 number of extra gaps= 0 total=120 Number of alignments=32 # 1sqrA read from 1sqrA/merged-good-all-a2m # found chain 1sqrA in template set T0306 30 :IDPQGNPDGQCAVAIDNIGAG 1sqrA 10 :YRRSKENQHNNVMIIKPLDVN T0306 59 :SGSSARQAHKS 1sqrA 31 :SREEASKLIGR Number of specific fragments extracted= 2 number of extra gaps= 0 total=122 Number of alignments=33 # 1sqrA read from 1sqrA/merged-good-all-a2m # found chain 1sqrA in template set T0306 29 :MIDP 1sqrA 10 :YRRS T0306 34 :GNPDGQCAVAIDNIGAG 1sqrA 14 :KENQHNNVMIIKPLDVN T0306 59 :SGSSARQAHK 1sqrA 31 :SREEASKLIG T0306 69 :SETSPVDLCV 1sqrA 48 :PSGKILKGKI Number of specific fragments extracted= 4 number of extra gaps= 0 total=126 Number of alignments=34 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1xpkA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0306/1xpkA/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0306/1xpkA/merged-good-all-a2m.gz for input Trying 1xpkA/merged-good-all-a2m Error: Couldn't open file 1xpkA/merged-good-all-a2m or 1xpkA/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1kmvA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0306 read from 1kmvA/merged-good-all-a2m # 1kmvA read from 1kmvA/merged-good-all-a2m # found chain 1kmvA in training set Warning: unaligning (T0306)S59 because of BadResidue code BAD_PEPTIDE in next template residue (1kmvA)G117 Warning: unaligning (T0306)G60 because of BadResidue code BAD_PEPTIDE at template residue (1kmvA)G117 T0306 19 :LAHD 1kmvA 67 :LKGR T0306 24 :LLMVEMIDPQGNPDGQCAVA 1kmvA 71 :INLVLSRELKEPPQGAHFLS T0306 49 :AGTGEWVLLV 1kmvA 106 :ANKVDMVWIV T0306 61 :SSARQAHKSETSPVDLCVIGI 1kmvA 118 :SSVYKEAMNHPGHLKLFVTRI Number of specific fragments extracted= 4 number of extra gaps= 1 total=130 Number of alignments=35 # 1kmvA read from 1kmvA/merged-good-all-a2m # found chain 1kmvA in training set Warning: unaligning (T0306)S59 because of BadResidue code BAD_PEPTIDE in next template residue (1kmvA)G117 Warning: unaligning (T0306)G60 because of BadResidue code BAD_PEPTIDE at template residue (1kmvA)G117 T0306 19 :LAHD 1kmvA 67 :LKGR T0306 24 :LLMVEMIDPQGNPDGQCAVA 1kmvA 71 :INLVLSRELKEPPQGAHFLS T0306 49 :AGTGEWVLLV 1kmvA 106 :ANKVDMVWIV T0306 61 :SSARQAHKSETSPVDLCVIGI 1kmvA 118 :SSVYKEAMNHPGHLKLFVTRI Number of specific fragments extracted= 4 number of extra gaps= 1 total=134 Number of alignments=36 # 1kmvA read from 1kmvA/merged-good-all-a2m # found chain 1kmvA in training set Warning: unaligning (T0306)S59 because of BadResidue code BAD_PEPTIDE in next template residue (1kmvA)G117 Warning: unaligning (T0306)G60 because of BadResidue code BAD_PEPTIDE at template residue (1kmvA)G117 T0306 19 :LAHD 1kmvA 67 :LKGR T0306 24 :LLMVEMIDPQGNPDGQCAVA 1kmvA 71 :INLVLSRELKEPPQGAHFLS T0306 49 :AGTGEWVLLV 1kmvA 106 :ANKVDMVWIV T0306 61 :SSARQAHKSETSPVDLCVIGI 1kmvA 118 :SSVYKEAMNHPGHLKLFVTRI Number of specific fragments extracted= 4 number of extra gaps= 1 total=138 Number of alignments=37 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2gw6A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2gw6A expands to /projects/compbio/data/pdb/2gw6.pdb.gz 2gw6A:# T0306 read from 2gw6A/merged-good-all-a2m # 2gw6A read from 2gw6A/merged-good-all-a2m # adding 2gw6A to template set # found chain 2gw6A in template set T0306 13 :TVRHHGLA 2gw6A 47 :CVGLPELQ T0306 23 :KLLMVEMIDPQGNP 2gw6A 55 :LICLVGTEIEGEGL T0306 53 :EWVLLVSG 2gw6A 69 :QTVVPTPI T0306 61 :SSARQAHKSETSPVDLCVIG 2gw6A 90 :KASRKLQGDPDLPMSFTLAI T0306 85 :VVSGGQVIFHK 2gw6A 110 :VESDSTIVYYK Number of specific fragments extracted= 5 number of extra gaps= 0 total=143 Number of alignments=38 # 2gw6A read from 2gw6A/merged-good-all-a2m # found chain 2gw6A in template set T0306 13 :TVRHHGLA 2gw6A 47 :CVGLPELQ T0306 23 :KLLMVEMIDPQGNP 2gw6A 55 :LICLVGTEIEGEGL T0306 53 :EWVLLVSG 2gw6A 69 :QTVVPTPI T0306 61 :SSARQAHKSETSPVDLCVIG 2gw6A 90 :KASRKLQGDPDLPMSFTLAI T0306 85 :VVSGGQVIFHK 2gw6A 110 :VESDSTIVYYK Number of specific fragments extracted= 5 number of extra gaps= 0 total=148 Number of alignments=39 # 2gw6A read from 2gw6A/merged-good-all-a2m # found chain 2gw6A in template set T0306 13 :TVRHHGLA 2gw6A 47 :CVGLPELQ T0306 23 :KLLMVEMIDPQGNP 2gw6A 55 :LICLVGTEIEGEGL T0306 53 :EWVLLVSG 2gw6A 69 :QTVVPTPI T0306 61 :SSARQAHKSETSPVDLCVI 2gw6A 90 :KASRKLQGDPDLPMSFTLA T0306 84 :EVVSGGQVIFHK 2gw6A 109 :IVESDSTIVYYK Number of specific fragments extracted= 5 number of extra gaps= 0 total=153 Number of alignments=40 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1zd0A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1zd0A expands to /projects/compbio/data/pdb/1zd0.pdb.gz 1zd0A:Skipped atom 93, because occupancy 0.500 <= existing 0.500 in 1zd0A Skipped atom 95, because occupancy 0.500 <= existing 0.500 in 1zd0A Skipped atom 97, because occupancy 0.500 <= existing 0.500 in 1zd0A Skipped atom 99, because occupancy 0.500 <= existing 0.500 in 1zd0A Skipped atom 101, because occupancy 0.500 <= existing 0.500 in 1zd0A Skipped atom 320, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 322, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 324, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 351, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 353, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 355, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 357, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 458, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 460, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 481, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 483, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 485, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 487, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 489, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 496, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 498, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 500, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 502, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 525, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 528, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 634, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 636, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 638, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 640, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 789, because occupancy 0.250 <= existing 0.750 in 1zd0A Skipped atom 791, because occupancy 0.250 <= existing 0.750 in 1zd0A Skipped atom 793, because occupancy 0.250 <= existing 0.750 in 1zd0A Skipped atom 838, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 840, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 901, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 903, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 909, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 911, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 913, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 928, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 930, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 932, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 934, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 966, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 968, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 970, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 972, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 995, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 997, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 999, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 1001, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 1003, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 1026, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 1028, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 1030, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 1032, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 1081, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 1083, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 1085, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 1087, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 1089, because occupancy 0.350 <= existing 0.650 in 1zd0A Skipped atom 1128, because occupancy 0.250 <= existing 0.750 in 1zd0A Skipped atom 1130, because occupancy 0.250 <= existing 0.750 in 1zd0A Skipped atom 1132, because occupancy 0.250 <= existing 0.750 in 1zd0A Skipped atom 1134, because occupancy 0.250 <= existing 0.750 in 1zd0A # T0306 read from 1zd0A/merged-good-all-a2m # 1zd0A read from 1zd0A/merged-good-all-a2m # adding 1zd0A to template set # found chain 1zd0A in template set T0306 48 :GAGTGEWVLLVSGSSARQAH 1zd0A 95 :GAKEGENYIVTFGENASALL Number of specific fragments extracted= 1 number of extra gaps= 0 total=154 Number of alignments=41 # 1zd0A read from 1zd0A/merged-good-all-a2m # found chain 1zd0A in template set T0306 48 :GAGTGEWVLLVSGSSARQAH 1zd0A 95 :GAKEGENYIVTFGENASALL Number of specific fragments extracted= 1 number of extra gaps= 0 total=155 Number of alignments=42 # 1zd0A read from 1zd0A/merged-good-all-a2m # found chain 1zd0A in template set T0306 48 :GAGTGEWVLLVSGSSARQAH 1zd0A 95 :GAKEGENYIVTFGENASALL Number of specific fragments extracted= 1 number of extra gaps= 0 total=156 Number of alignments=43 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1i0lA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1i0lA expands to /projects/compbio/data/pdb/1i0l.pdb.gz 1i0lA:# T0306 read from 1i0lA/merged-good-all-a2m # 1i0lA read from 1i0lA/merged-good-all-a2m # adding 1i0lA to template set # found chain 1i0lA in template set T0306 22 :DKLLMVEMIDPQGNPDGQCAVAIDNIGAGTGEWVLLVSG 1i0lA 74 :MEFICVSSYGEGLTSSGQVRMLLDTRHSIEGHHVLIVED T0306 61 :SSARQAHKSETSPVDLCVI 1i0lA 121 :NYLYHMYFTRRPASLKTVV T0306 81 :IVDE 1i0lA 140 :LLDK Number of specific fragments extracted= 3 number of extra gaps= 0 total=159 Number of alignments=44 # 1i0lA read from 1i0lA/merged-good-all-a2m # found chain 1i0lA in template set T0306 22 :DKLLMVEMIDPQGNPDGQCAVAIDNIGAGTGEWVLLVSG 1i0lA 74 :MEFICVSSYGEGLTSSGQVRMLLDTRHSIEGHHVLIVED T0306 61 :SSARQAHKSETSPVDLCVI 1i0lA 121 :NYLYHMYFTRRPASLKTVV T0306 81 :IVDE 1i0lA 140 :LLDK Number of specific fragments extracted= 3 number of extra gaps= 0 total=162 Number of alignments=45 # 1i0lA read from 1i0lA/merged-good-all-a2m # found chain 1i0lA in template set T0306 22 :DKLLMVEMIDPQGNPDGQCAVAIDNIGAGTGEWVLLVSG 1i0lA 74 :MEFICVSSYGEGLTSSGQVRMLLDTRHSIEGHHVLIVED T0306 61 :SSARQAHKS 1i0lA 121 :NYLYHMYFT T0306 71 :TSPVDLCVIGIVD 1i0lA 130 :RRPASLKTVVLLD Number of specific fragments extracted= 3 number of extra gaps= 0 total=165 Number of alignments=46 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2gaeA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2gaeA expands to /projects/compbio/data/pdb/2gae.pdb.gz 2gaeA:# T0306 read from 2gaeA/merged-good-all-a2m # 2gaeA read from 2gaeA/merged-good-all-a2m # adding 2gaeA to template set # found chain 2gaeA in template set Warning: unaligning (T0306)V27 because of BadResidue code BAD_PEPTIDE in next template residue (2gaeA)E294 Warning: unaligning (T0306)E28 because of BadResidue code BAD_PEPTIDE at template residue (2gaeA)E294 T0306 12 :CTVRHHGLAHDKLLM 2gaeA 278 :VASDRSIIPPGTTLL T0306 29 :MI 2gaeA 295 :VP T0306 31 :DPQGNPDG 2gaeA 299 :DNNGKFNG T0306 39 :QCAVAIDNIGAGTGEWVLLV 2gaeA 311 :RLMVALDVGGAIKGQHFDIY T0306 59 :SGSSARQAHKSETSPVDLCVI 2gaeA 333 :IGPEAGHRAGWYNHYGRVWVL Number of specific fragments extracted= 5 number of extra gaps= 1 total=170 Number of alignments=47 # 2gaeA read from 2gaeA/merged-good-all-a2m # found chain 2gaeA in template set Warning: unaligning (T0306)V27 because of BadResidue code BAD_PEPTIDE in next template residue (2gaeA)E294 Warning: unaligning (T0306)E28 because of BadResidue code BAD_PEPTIDE at template residue (2gaeA)E294 T0306 12 :CTVRHHGLAHDKLLM 2gaeA 278 :VASDRSIIPPGTTLL T0306 29 :MI 2gaeA 295 :VP T0306 31 :DPQGNPDG 2gaeA 299 :DNNGKFNG T0306 39 :QCAVAIDNIGAGTGEWVLLVS 2gaeA 311 :RLMVALDVGGAIKGQHFDIYQ T0306 60 :GSSARQAHKSETSPVDLCVI 2gaeA 334 :GPEAGHRAGWYNHYGRVWVL Number of specific fragments extracted= 5 number of extra gaps= 1 total=175 Number of alignments=48 # 2gaeA read from 2gaeA/merged-good-all-a2m # found chain 2gaeA in template set Warning: unaligning (T0306)V27 because of BadResidue code BAD_PEPTIDE in next template residue (2gaeA)E294 Warning: unaligning (T0306)E28 because of BadResidue code BAD_PEPTIDE at template residue (2gaeA)E294 T0306 11 :VCTVRHHGLAHDKLLM 2gaeA 277 :SVASDRSIIPPGTTLL T0306 29 :MI 2gaeA 295 :VP T0306 31 :DPQGNPDGQC 2gaeA 299 :DNNGKFNGQY T0306 41 :AVAIDNIGAGTGEWVLLV 2gaeA 313 :MVALDVGGAIKGQHFDIY T0306 59 :SGSSARQAHKSETSPVDLCVI 2gaeA 333 :IGPEAGHRAGWYNHYGRVWVL Number of specific fragments extracted= 5 number of extra gaps= 1 total=180 Number of alignments=49 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1q5qH/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0306/1q5qH/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0306/1q5qH/merged-good-all-a2m.gz for input Trying 1q5qH/merged-good-all-a2m Error: Couldn't open file 1q5qH/merged-good-all-a2m or 1q5qH/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1wucA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1wucA expands to Error: no filename for 1wucA 1wucA expands to Error: no filename for 1wucA 1wucA expands to Error: no filename for 1wucA # T0306 read from 1wucA/merged-good-all-a2m # 1wucA read from 1wucA/merged-good-all-a2m # adding 1wucA to template set Error: can't find template for 1wucA or 1wucA, so skipping it. # 1wucA read from 1wucA/merged-good-all-a2m # adding 1wucA to template set Error: can't find template for 1wucA or 1wucA, so skipping it. # 1wucA read from 1wucA/merged-good-all-a2m # adding 1wucA to template set Error: can't find template for 1wucA or 1wucA, so skipping it. # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ryp2/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ryp2 expands to /projects/compbio/data/pdb/1ryp.pdb.gz 1ryp2:# T0306 read from 1ryp2/merged-good-all-a2m # 1ryp2 read from 1ryp2/merged-good-all-a2m # adding 1ryp2 to template set # found chain 1ryp2 in template set T0306 9 :QIVCTVRH 1ryp2 1 :TSVISMKY T0306 37 :DGQCAVAIDNIG 1ryp2 9 :DNGVIIAADNLG T0306 49 :AGTGEWVLLV 1ryp2 37 :VGDNTVVGIS T0306 83 :DE 1ryp2 47 :GD Number of specific fragments extracted= 4 number of extra gaps= 0 total=184 Number of alignments=50 # 1ryp2 read from 1ryp2/merged-good-all-a2m # found chain 1ryp2 in template set T0306 9 :QIVCTVRH 1ryp2 1 :TSVISMKY T0306 37 :DGQCAVAIDNIG 1ryp2 9 :DNGVIIAADNLG T0306 49 :AGTGEWVLLV 1ryp2 37 :VGDNTVVGIS T0306 83 :DE 1ryp2 47 :GD Number of specific fragments extracted= 4 number of extra gaps= 0 total=188 Number of alignments=51 # 1ryp2 read from 1ryp2/merged-good-all-a2m # found chain 1ryp2 in template set T0306 9 :QIVCTVRHH 1ryp2 1 :TSVISMKYD T0306 38 :GQCAVAIDNIG 1ryp2 10 :NGVIIAADNLG T0306 49 :AGTGEWVLLVSG 1ryp2 37 :VGDNTVVGISGD T0306 61 :SSARQA 1ryp2 53 :QHIERL T0306 67 :HKSETSPV 1ryp2 73 :ADAEEALE T0306 75 :DLCVIGIVDEVVSGGQVIF 1ryp2 101 :PLWNAIIVAGVQSNGDQFL Number of specific fragments extracted= 6 number of extra gaps= 0 total=194 Number of alignments=52 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1v04A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1v04A expands to /projects/compbio/data/pdb/1v04.pdb.gz 1v04A:# T0306 read from 1v04A/merged-good-all-a2m # 1v04A read from 1v04A/merged-good-all-a2m # adding 1v04A to template set # found chain 1v04A in template set Warning: unaligning (T0306)I47 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1v04A)S272 Warning: unaligning (T0306)G48 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1v04A)S272 Warning: unaligning (T0306)K68 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1v04A)D295 Warning: unaligning (T0306)S69 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1v04A)D295 T0306 9 :QIVCTV 1v04A 234 :YVYIAE T0306 19 :LAHDKLLMVE 1v04A 240 :LLAHKIHVYE T0306 30 :IDPQGNPDGQCAV 1v04A 250 :KHANWTLTPLRVL T0306 43 :AIDN 1v04A 267 :LVDN T0306 49 :AGT 1v04A 273 :VDP T0306 52 :GEWVLLVSGSSARQAH 1v04A 278 :GDLWVGCHPNGMRIFF T0306 70 :ETSPVDLCVIGIVDEVVSGGQV 1v04A 296 :AENPPGSEVLRIQDILSEEPKV Number of specific fragments extracted= 7 number of extra gaps= 2 total=201 Number of alignments=53 # 1v04A read from 1v04A/merged-good-all-a2m # found chain 1v04A in template set Warning: unaligning (T0306)I47 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1v04A)S272 Warning: unaligning (T0306)G48 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1v04A)S272 Warning: unaligning (T0306)K68 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1v04A)D295 Warning: unaligning (T0306)S69 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1v04A)D295 T0306 9 :QIVCTV 1v04A 234 :YVYIAE T0306 19 :LAHDKLLMVE 1v04A 240 :LLAHKIHVYE T0306 30 :IDPQGNPDGQCAV 1v04A 250 :KHANWTLTPLRVL T0306 43 :AIDN 1v04A 267 :LVDN T0306 49 :AGT 1v04A 273 :VDP T0306 52 :GEWVLLVSGSSARQAH 1v04A 278 :GDLWVGCHPNGMRIFF T0306 70 :ETSPVDLCVIGIVDEVVSGGQV 1v04A 296 :AENPPGSEVLRIQDILSEEPKV Number of specific fragments extracted= 7 number of extra gaps= 2 total=208 Number of alignments=54 # 1v04A read from 1v04A/merged-good-all-a2m # found chain 1v04A in template set Warning: unaligning (T0306)I47 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1v04A)S272 Warning: unaligning (T0306)G48 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1v04A)S272 Warning: unaligning (T0306)K68 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1v04A)D295 Warning: unaligning (T0306)S69 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1v04A)D295 T0306 8 :GQIVCTV 1v04A 233 :KYVYIAE T0306 19 :LAHDKLLMVE 1v04A 240 :LLAHKIHVYE T0306 30 :IDPQGNPDGQCAV 1v04A 250 :KHANWTLTPLRVL T0306 43 :AIDN 1v04A 267 :LVDN T0306 49 :A 1v04A 273 :V T0306 50 :GTGEWVLLVSGSSARQAH 1v04A 276 :VTGDLWVGCHPNGMRIFF T0306 70 :ETSPVDLCVIGI 1v04A 296 :AENPPGSEVLRI T0306 83 :DEVVSGGQ 1v04A 308 :QDILSEEP Number of specific fragments extracted= 8 number of extra gaps= 2 total=216 Number of alignments=55 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1kekA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1kekA expands to /projects/compbio/data/pdb/1kek.pdb.gz 1kekA:# T0306 read from 1kekA/merged-good-all-a2m # 1kekA read from 1kekA/merged-good-all-a2m # adding 1kekA to template set # found chain 1kekA in template set T0306 44 :IDNIGAGTGEWVLLVSGSSAR 1kekA 261 :FDYVGAPDAERVIVSMGSSCE T0306 65 :QAHKSETSPVDLCVI 1kekA 288 :NHLAAKGEKIGLIKV Number of specific fragments extracted= 2 number of extra gaps= 0 total=218 Number of alignments=56 # 1kekA read from 1kekA/merged-good-all-a2m # found chain 1kekA in template set T0306 44 :IDNIGAGTGEWVLLVSGSSAR 1kekA 261 :FDYVGAPDAERVIVSMGSSCE T0306 65 :QAHKSETSPVDLCVIG 1kekA 288 :NHLAAKGEKIGLIKVR Number of specific fragments extracted= 2 number of extra gaps= 0 total=220 Number of alignments=57 # 1kekA read from 1kekA/merged-good-all-a2m # found chain 1kekA in template set T0306 44 :IDNIGAGTGEWVLLVSGSS 1kekA 261 :FDYVGAPDAERVIVSMGSS T0306 63 :ARQAH 1kekA 287 :INHLA T0306 69 :SETSPVDLCVIGIV 1kekA 292 :AKGEKIGLIKVRLY Number of specific fragments extracted= 3 number of extra gaps= 0 total=223 Number of alignments=58 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1hxmA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1hxmA expands to /projects/compbio/data/pdb/1hxm.pdb.gz 1hxmA:# T0306 read from 1hxmA/merged-good-all-a2m # 1hxmA read from 1hxmA/merged-good-all-a2m # adding 1hxmA to template set # found chain 1hxmA in template set T0306 8 :GQIVCTVRHHGLAHDKLLMVEMI 1hxmA 19 :ATLRCSMKGEAIGNYYINWYRKT T0306 34 :GNPDGQCAVAID 1hxmA 58 :PGFKDNFQGDID T0306 49 :AGTGEWVLLVSG 1hxmA 70 :IAKNLAVLKILA T0306 72 :SPVDLCVIGIVDEVVSGGQV 1hxmA 84 :ERDEGSYYCACDTLGMGGEY Number of specific fragments extracted= 4 number of extra gaps= 0 total=227 Number of alignments=59 # 1hxmA read from 1hxmA/merged-good-all-a2m # found chain 1hxmA in template set T0306 8 :GQIVCTVRHHGLAHDKLLMVEMI 1hxmA 19 :ATLRCSMKGEAIGNYYINWYRKT T0306 34 :GNPDGQCAVAID 1hxmA 58 :PGFKDNFQGDID T0306 49 :AGTGEWVLLVSG 1hxmA 70 :IAKNLAVLKILA T0306 73 :PVDLCVIGIVDEVVSGGQV 1hxmA 85 :RDEGSYYCACDTLGMGGEY Number of specific fragments extracted= 4 number of extra gaps= 0 total=231 Number of alignments=60 # 1hxmA read from 1hxmA/merged-good-all-a2m # found chain 1hxmA in template set T0306 8 :GQIVCTVRHHGLAHDKLLMVEMIDPQGN 1hxmA 19 :ATLRCSMKGEAIGNYYINWYRKTQGNTM T0306 36 :PDGQCAVAID 1hxmA 60 :FKDNFQGDID T0306 49 :AGTGEWVLLV 1hxmA 70 :IAKNLAVLKI Number of specific fragments extracted= 3 number of extra gaps= 0 total=234 Number of alignments=61 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1y2tA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1y2tA expands to /projects/compbio/data/pdb/1y2t.pdb.gz 1y2tA:# T0306 read from 1y2tA/merged-good-all-a2m # 1y2tA read from 1y2tA/merged-good-all-a2m # adding 1y2tA to template set # found chain 1y2tA in template set T0306 2 :KLAVVTGQIVCTVRH 1y2tA 33 :TWDEVRGEYVLTMGG T0306 21 :HDKLLMVEMIDPQ 1y2tA 48 :SGTSGSLRFVSSD T0306 37 :DGQCAVAI 1y2tA 61 :TDESFVAT T0306 47 :IGAGTGEWVL 1y2tA 69 :FGVHNYKRWC T0306 80 :GIVDEV 1y2tA 79 :DIVTNL Number of specific fragments extracted= 5 number of extra gaps= 0 total=239 Number of alignments=62 # 1y2tA read from 1y2tA/merged-good-all-a2m # found chain 1y2tA in template set T0306 2 :KLAVVTGQIVCTVRH 1y2tA 33 :TWDEVRGEYVLTMGG T0306 21 :HDKLLMVEMIDPQ 1y2tA 48 :SGTSGSLRFVSSD T0306 37 :DGQCAVAI 1y2tA 61 :TDESFVAT T0306 47 :IGAGTGEWVL 1y2tA 69 :FGVHNYKRWC T0306 80 :GIVDEV 1y2tA 79 :DIVTNL Number of specific fragments extracted= 5 number of extra gaps= 0 total=244 Number of alignments=63 # 1y2tA read from 1y2tA/merged-good-all-a2m # found chain 1y2tA in template set T0306 2 :KLAVVTGQIVCTVRHH 1y2tA 33 :TWDEVRGEYVLTMGGS T0306 22 :DKLLMVEMIDPQ 1y2tA 49 :GTSGSLRFVSSD T0306 37 :DGQCAVAI 1y2tA 61 :TDESFVAT T0306 47 :IGAGTGEWVLL 1y2tA 69 :FGVHNYKRWCD Number of specific fragments extracted= 4 number of extra gaps= 0 total=248 Number of alignments=64 # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0306//projects/compbio/experiments/protein-predict/casp7/T0306/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0306//projects/compbio/experiments/protein-predict/casp7/T0306/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0306/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0306/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((T0306)V55.CB, (T0306)L76.CB) [> 4.0972 = 6.8288 < 8.8774] w=1.0000 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)V42.CB) [> 3.9714 = 6.6190 < 8.6047] w=0.9829 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)I44.CB) [> 3.8433 = 6.4055 < 8.3272] w=0.9802 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)V42.CB) [> 3.5027 = 5.8378 < 7.5891] w=0.8846 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)A41.CB) [> 3.8763 = 6.4605 < 8.3987] w=0.8785 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)V42.CB) [> 4.2420 = 7.0701 < 9.1911] w=0.8605 to align # Constraint # added constraint: constraint((T0306)V58.CB, (T0306)V78.CB) [> 3.8851 = 6.4752 < 8.4177] w=0.8118 to align # Constraint # added constraint: constraint((T0306)L57.CB, (T0306)C77.CB) [> 3.1885 = 5.3141 < 6.9084] w=0.7876 to align # Constraint # added constraint: constraint((T0306)L57.CB, (T0306)L76.CB) [> 4.5312 = 7.5520 < 9.8176] w=0.7876 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)C40.CB) [> 3.9203 = 6.5339 < 8.4940] w=0.7862 to align # Constraint # added constraint: constraint((T0306)V58.CB, (T0306)C77.CB) [> 4.0754 = 6.7923 < 8.8300] w=0.7608 to align # Constraint # added constraint: constraint((T0306)V58.CB, (T0306)I79.CB) [> 3.9684 = 6.6140 < 8.5982] w=0.7582 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)V42.CB) [> 3.7006 = 6.1677 < 8.0181] w=0.7518 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)A43.CB) [> 4.0353 = 6.7255 < 8.7432] w=0.7441 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)A41.CB) [> 3.2944 = 5.4907 < 7.1379] w=0.7281 to align # Constraint # added constraint: constraint((T0306)L56.CB, (T0306)C77.CB) [> 4.2466 = 7.0777 < 9.2010] w=0.7238 to align # Constraint # added constraint: constraint((T0306)L56.CB, (T0306)L76.CB) [> 3.1650 = 5.2749 < 6.8574] w=0.7238 to align # Constraint # added constraint: constraint((T0306)E28.CB, (T0306)V42.CB) [> 4.3783 = 7.2972 < 9.4864] w=0.7169 to align # Constraint # added constraint: constraint((T0306)M29.CB, (T0306)C40.CB) [> 3.6805 = 6.1342 < 7.9744] w=0.7157 to align # Constraint # added constraint: constraint((T0306)V58.CB, (T0306)L76.CB) [> 3.9337 = 6.5562 < 8.5231] w=0.7071 to align # Constraint # added constraint: constraint((T0306)V55.CB, (T0306)V74.CB) [> 4.3667 = 7.2778 < 9.4611] w=0.7027 to align # Constraint # added constraint: constraint((T0306)L57.CB, (T0306)I79.CB) [> 4.0455 = 6.7424 < 8.7651] w=0.6978 to align # Constraint # added constraint: constraint((T0306)L57.CB, (T0306)H67.CB) [> 3.8897 = 6.4829 < 8.4278] w=0.6967 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)I44.CB) [> 3.4474 = 5.7457 < 7.4694] w=0.6815 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)L56.CB) [> 3.1335 = 5.2224 < 6.7892] w=0.6739 to align # Constraint # added constraint: constraint((T0306)A41.CB, (T0306)L57.CB) [> 3.5974 = 5.9957 < 7.7944] w=0.6663 to align # Constraint # added constraint: constraint((T0306)E28.CB, (T0306)A41.CB) [> 3.5268 = 5.8781 < 7.6415] w=0.6507 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)A41.CB) [> 4.5112 = 7.5187 < 9.7743] w=0.6374 to align # Constraint # added constraint: constraint((T0306)W54.CB, (T0306)V74.CB) [> 3.3296 = 5.5494 < 7.2142] w=0.6325 to align # Constraint # added constraint: constraint((T0306)C12.CB, (T0306)L56.CB) [> 4.0780 = 6.7967 < 8.8357] w=0.6198 to align # Constraint # added constraint: constraint((T0306)I30.CB, (T0306)C40.CB) [> 3.7302 = 6.2170 < 8.0821] w=0.6161 to align # Constraint # added constraint: constraint((T0306)I44.CB, (T0306)I79.CB) [> 3.7673 = 6.2789 < 8.1626] w=0.6159 to align # Constraint # added constraint: constraint((T0306)I44.CB, (T0306)V58.CB) [> 4.1626 = 6.9377 < 9.0190] w=0.6022 to align # Constraint # added constraint: constraint((T0306)V14.CB, (T0306)K23.CB) [> 3.6961 = 6.1602 < 8.0082] w=0.5943 to align # Constraint # added constraint: constraint((T0306)C12.CB, (T0306)L25.CB) [> 3.5749 = 5.9581 < 7.7455] w=0.5943 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)I44.CB) [> 4.0388 = 6.7313 < 8.7507] w=0.5908 to align # Constraint # added constraint: constraint((T0306)V55.CB, (T0306)C77.CB) [> 3.6186 = 6.0309 < 7.8402] w=0.5789 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)A43.CB) [> 3.9006 = 6.5010 < 8.4514] w=0.5780 to align # Constraint # added constraint: constraint((T0306)N46.CB, (T0306)C77.CB) [> 3.5063 = 5.8438 < 7.5970] w=0.5746 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)V55.CB) [> 4.4097 = 7.3495 < 9.5543] w=0.5735 to align # Constraint # added constraint: constraint((T0306)S59.CB, (T0306)I79.CB) [> 2.7725 = 4.6208 < 6.0070] w=0.5725 to align # Constraint # added constraint: constraint((T0306)S59.CB, (T0306)V78.CB) [> 4.2455 = 7.0758 < 9.1985] w=0.5725 to align # Constraint # added constraint: constraint((T0306)E53.CB, (T0306)V74.CB) [> 4.5160 = 7.5266 < 9.7846] w=0.5725 to align # Constraint # added constraint: constraint((T0306)E53.CB, (T0306)P73.CB) [> 2.8775 = 4.7958 < 6.2345] w=0.5725 to align # Constraint # added constraint: constraint((T0306)M29.CB, (T0306)A41.CB) [> 4.1466 = 6.9110 < 8.9844] w=0.5661 to align # Constraint # added constraint: constraint((T0306)E28.CB, (T0306)C40.CB) [> 3.6556 = 6.0927 < 7.9205] w=0.5638 to align # Constraint # added constraint: constraint((T0306)M29.CB, (T0306)Q39.CB) [> 3.6282 = 6.0470 < 7.8611] w=0.5581 to align # Constraint # added constraint: constraint((T0306)C12.CB, (T0306)V55.CB) [> 3.3196 = 5.5326 < 7.1924] w=0.5481 to align # Constraint # added constraint: constraint((T0306)V55.CB, (T0306)D75.CB) [> 2.5954 = 4.3256 < 5.6233] w=0.5448 to align # Constraint # added constraint: constraint((T0306)W54.CB, (T0306)P73.CB) [> 4.0417 = 6.7362 < 8.7571] w=0.5448 to align # Constraint # added constraint: constraint((T0306)G52.CA, (T0306)P73.CB) [> 2.5155 = 4.1924 < 5.4502] w=0.5448 to align # Constraint # added constraint: constraint((T0306)T51.CB, (T0306)P73.CB) [> 3.5166 = 5.8610 < 7.6193] w=0.5448 to align # Constraint # added constraint: constraint((T0306)D22.CB, (T0306)I44.CB) [> 4.3088 = 7.1813 < 9.3357] w=0.5377 to align # Constraint # added constraint: constraint((T0306)L56.CB, (T0306)V78.CB) [> 3.9333 = 6.5555 < 8.5222] w=0.5314 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)A43.CB) [> 3.3700 = 5.6167 < 7.3018] w=0.5266 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)V55.CB) [> 4.5880 = 7.6467 < 9.9407] w=0.5250 to align # Constraint # added constraint: constraint((T0306)D45.CB, (T0306)V58.CB) [> 3.9253 = 6.5422 < 8.5049] w=0.5190 to align # Constraint # added constraint: constraint((T0306)D45.CB, (T0306)L56.CB) [> 4.4836 = 7.4726 < 9.7144] w=0.5190 to align # Constraint # added constraint: constraint((T0306)K23.CB, (T0306)V42.CB) [> 4.0429 = 6.7381 < 8.7595] w=0.5190 to align # Constraint # added constraint: constraint((T0306)D22.CB, (T0306)A43.CB) [> 3.8704 = 6.4507 < 8.3859] w=0.5190 to align # Constraint # added constraint: constraint((T0306)L19.CB, (T0306)A43.CB) [> 2.9859 = 4.9765 < 6.4694] w=0.5190 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)N46.CB) [> 3.6150 = 6.0250 < 7.8325] w=0.5190 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)D45.CB) [> 2.7494 = 4.5824 < 5.9571] w=0.5190 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)Q39.CB) [> 3.9969 = 6.6615 < 8.6600] w=0.5149 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)I44.CB) [> 3.9019 = 6.5031 < 8.4541] w=0.5137 to align # Constraint # added constraint: constraint((T0306)A49.CB, (T0306)R64.CB) [> 4.4646 = 7.4411 < 9.6734] w=0.5092 to align # Constraint # added constraint: constraint((T0306)V42.CB, (T0306)L56.CB) [> 3.3581 = 5.5969 < 7.2759] w=0.4977 to align # Constraint # added constraint: constraint((T0306)G60.CA, (T0306)V78.CB) [> 4.6873 = 7.8123 < 10.1559] w=0.4920 to align # Constraint # added constraint: constraint((T0306)A49.CB, (T0306)P73.CB) [> 2.9844 = 4.9739 < 6.4661] w=0.4920 to align # Constraint # added constraint: constraint((T0306)K23.CB, (T0306)A43.CB) [> 3.0410 = 5.0684 < 6.5889] w=0.4916 to align # Constraint # added constraint: constraint((T0306)W54.CB, (T0306)D75.CB) [> 4.2700 = 7.1167 < 9.2517] w=0.4911 to align # Constraint # added constraint: constraint((T0306)G52.CA, (T0306)V74.CB) [> 3.5649 = 5.9414 < 7.7239] w=0.4911 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)A41.CB) [> 3.6504 = 6.0840 < 7.9091] w=0.4910 to align # Constraint # added constraint: constraint((T0306)I30.CB, (T0306)V74.CB) [> 3.5429 = 5.9048 < 7.6762] w=0.4879 to align # Constraint # added constraint: constraint((T0306)I30.CB, (T0306)P73.CB) [> 3.7632 = 6.2720 < 8.1536] w=0.4879 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)I79.CB) [> 3.5999 = 5.9998 < 7.7997] w=0.4879 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)V78.CB) [> 4.5280 = 7.5466 < 9.8106] w=0.4879 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)Q39.CB) [> 3.5948 = 5.9914 < 7.7888] w=0.4838 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)C40.CB) [> 3.9063 = 6.5106 < 8.4638] w=0.4834 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)C40.CB) [> 4.1851 = 6.9752 < 9.0678] w=0.4815 to align # Constraint # added constraint: constraint((T0306)I44.CB, (T0306)V78.CB) [> 4.1770 = 6.9617 < 9.0502] w=0.4704 to align # Constraint # added constraint: constraint((T0306)I44.CB, (T0306)C77.CB) [> 3.3592 = 5.5987 < 7.2783] w=0.4643 to align # Constraint # added constraint: constraint((T0306)D45.CB, (T0306)C77.CB) [> 4.2992 = 7.1653 < 9.3149] w=0.4643 to align # Constraint # added constraint: constraint((T0306)D45.CB, (T0306)V78.CB) [> 2.7685 = 4.6142 < 5.9984] w=0.4643 to align # Constraint # added constraint: constraint((T0306)N46.CB, (T0306)D75.CB) [> 3.7643 = 6.2738 < 8.1559] w=0.4643 to align # Constraint # added constraint: constraint((T0306)N46.CB, (T0306)L76.CB) [> 4.2470 = 7.0783 < 9.2018] w=0.4643 to align # Constraint # added constraint: constraint((T0306)N46.CB, (T0306)V78.CB) [> 4.6021 = 7.6702 < 9.9713] w=0.4643 to align # Constraint # added constraint: constraint((T0306)I47.CB, (T0306)D75.CB) [> 4.1525 = 6.9208 < 8.9970] w=0.4643 to align # Constraint # added constraint: constraint((T0306)I47.CB, (T0306)L76.CB) [> 3.0527 = 5.0879 < 6.6142] w=0.4643 to align # Constraint # added constraint: constraint((T0306)I47.CB, (T0306)V78.CB) [> 4.1271 = 6.8786 < 8.9421] w=0.4643 to align # Constraint # added constraint: constraint((T0306)G48.CA, (T0306)V74.CB) [> 3.9886 = 6.6477 < 8.6420] w=0.4643 to align # Constraint # added constraint: constraint((T0306)G48.CA, (T0306)D75.CB) [> 2.8839 = 4.8066 < 6.2485] w=0.4643 to align # Constraint # added constraint: constraint((T0306)G48.CA, (T0306)L76.CB) [> 3.9114 = 6.5190 < 8.4747] w=0.4643 to align # Constraint # added constraint: constraint((T0306)A49.CB, (T0306)S72.CB) [> 4.4378 = 7.3964 < 9.6153] w=0.4643 to align # Constraint # added constraint: constraint((T0306)A49.CB, (T0306)V74.CB) [> 3.5747 = 5.9578 < 7.7452] w=0.4643 to align # Constraint # added constraint: constraint((T0306)A49.CB, (T0306)D75.CB) [> 3.5124 = 5.8539 < 7.6101] w=0.4643 to align # Constraint # added constraint: constraint((T0306)G50.CA, (T0306)D75.CB) [> 4.1173 = 6.8621 < 8.9207] w=0.4643 to align # Constraint # added constraint: constraint((T0306)G52.CA, (T0306)D75.CB) [> 2.8985 = 4.8308 < 6.2801] w=0.4643 to align # Constraint # added constraint: constraint((T0306)L56.CB, (T0306)V74.CB) [> 4.6889 = 7.8148 < 10.1592] w=0.4643 to align # Constraint # added constraint: constraint((T0306)L56.CB, (T0306)D75.CB) [> 4.3003 = 7.1672 < 9.3173] w=0.4643 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)C77.CB) [> 2.9416 = 4.9027 < 6.3735] w=0.4587 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)C77.CB) [> 3.9986 = 6.6644 < 8.6636] w=0.4587 to align # Constraint # added constraint: constraint((T0306)I30.CB, (T0306)Q39.CB) [> 4.0279 = 6.7131 < 8.7270] w=0.4545 to align # Constraint # added constraint: constraint((T0306)C12.CB, (T0306)V42.CB) [> 4.4409 = 7.4016 < 9.6221] w=0.4506 to align # Constraint # added constraint: constraint((T0306)C12.CB, (T0306)A43.CB) [> 3.2749 = 5.4581 < 7.0955] w=0.4506 to align # Constraint # added constraint: constraint((T0306)C12.CB, (T0306)I44.CB) [> 4.1623 = 6.9371 < 9.0182] w=0.4506 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)A43.CB) [> 4.4470 = 7.4117 < 9.6352] w=0.4506 to align # Constraint # added constraint: constraint((T0306)C12.CB, (T0306)L24.CB) [> 4.1341 = 6.8902 < 8.9572] w=0.4504 to align # Constraint # added constraint: constraint((T0306)I47.CB, (T0306)L56.CB) [> 3.2842 = 5.4736 < 7.1157] w=0.4427 to align # Constraint # added constraint: constraint((T0306)G18.CA, (T0306)E53.CB) [> 4.5667 = 7.6112 < 9.8945] w=0.4392 to align # Constraint # added constraint: constraint((T0306)V14.CB, (T0306)L56.CB) [> 4.6436 = 7.7393 < 10.0611] w=0.4392 to align # Constraint # added constraint: constraint((T0306)V14.CB, (T0306)V55.CB) [> 3.4320 = 5.7199 < 7.4359] w=0.4392 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)V55.CB) [> 4.3266 = 7.2110 < 9.3743] w=0.4392 to align # Constraint # added constraint: constraint((T0306)C12.CB, (T0306)V58.CB) [> 4.0337 = 6.7228 < 8.7396] w=0.4392 to align # Constraint # added constraint: constraint((T0306)C12.CB, (T0306)L57.CB) [> 3.1160 = 5.1934 < 6.7514] w=0.4392 to align # Constraint # added constraint: constraint((T0306)V42.CB, (T0306)L57.CB) [> 4.0174 = 6.6957 < 8.7044] w=0.4357 to align # Constraint # added constraint: constraint((T0306)V42.CB, (T0306)V55.CB) [> 3.7906 = 6.3176 < 8.2129] w=0.4357 to align # Constraint # added constraint: constraint((T0306)V14.CB, (T0306)W54.CB) [> 4.4444 = 7.4074 < 9.6296] w=0.4350 to align # Constraint # added constraint: constraint((T0306)S59.CB, (T0306)G80.CA) [> 4.0770 = 6.7950 < 8.8335] w=0.4329 to align # Constraint # added constraint: constraint((T0306)K23.CB, (T0306)I44.CB) [> 4.0445 = 6.7409 < 8.7632] w=0.4313 to align # Constraint # added constraint: constraint((T0306)G48.CA, (T0306)Q65.CB) [> 4.7248 = 7.8747 < 10.2371] w=0.4168 to align # Constraint # added constraint: constraint((T0306)I44.CB, (T0306)L57.CB) [> 4.1038 = 6.8397 < 8.8916] w=0.3967 to align # Constraint # added constraint: constraint((T0306)V42.CB, (T0306)W54.CB) [> 3.9015 = 6.5025 < 8.4532] w=0.3888 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)L56.CB) [> 3.7657 = 6.2762 < 8.1590] w=0.3840 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)L57.CB) [> 4.3053 = 7.1756 < 9.3282] w=0.3707 to align # Constraint # added constraint: constraint((T0306)I44.CB, (T0306)G80.CA) [> 3.9032 = 6.5053 < 8.4569] w=0.3700 to align # Constraint # added constraint: constraint((T0306)G48.CA, (T0306)R64.CB) [> 3.2330 = 5.3883 < 7.0047] w=0.3693 to align # Constraint # added constraint: constraint((T0306)H21.CB, (T0306)A43.CB) [> 3.2750 = 5.4583 < 7.0958] w=0.3675 to align # Constraint # added constraint: constraint((T0306)H16.CB, (T0306)N46.CB) [> 3.7795 = 6.2991 < 8.1888] w=0.3675 to align # Constraint # added constraint: constraint((T0306)R15.CB, (T0306)G52.CA) [> 2.6608 = 4.4346 < 5.7650] w=0.3675 to align # Constraint # added constraint: constraint((T0306)R15.CB, (T0306)G50.CA) [> 3.4441 = 5.7401 < 7.4621] w=0.3675 to align # Constraint # added constraint: constraint((T0306)V14.CB, (T0306)G50.CA) [> 4.4523 = 7.4206 < 9.6467] w=0.3675 to align # Constraint # added constraint: constraint((T0306)V14.CB, (T0306)N46.CB) [> 4.2834 = 7.1390 < 9.2808] w=0.3675 to align # Constraint # added constraint: constraint((T0306)V14.CB, (T0306)D45.CB) [> 4.5371 = 7.5618 < 9.8303] w=0.3675 to align # Constraint # added constraint: constraint((T0306)V14.CB, (T0306)A43.CB) [> 2.4530 = 4.0883 < 5.3148] w=0.3675 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)V58.CB) [> 4.2584 = 7.0974 < 9.2266] w=0.3675 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)G50.CA) [> 3.9158 = 6.5262 < 8.4841] w=0.3675 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)I47.CB) [> 2.7767 = 4.6279 < 6.0162] w=0.3675 to align # Constraint # added constraint: constraint((T0306)C12.CB, (T0306)D45.CB) [> 4.1716 = 6.9526 < 9.0384] w=0.3675 to align # Constraint # added constraint: constraint((T0306)C12.CB, (T0306)A41.CB) [> 3.1057 = 5.1761 < 6.7290] w=0.3675 to align # Constraint # added constraint: constraint((T0306)P36.CB, (T0306)S72.CB) [> 3.3177 = 5.5296 < 7.1885] w=0.3675 to align # Constraint # added constraint: constraint((T0306)M29.CB, (T0306)L57.CB) [> 3.9697 = 6.6162 < 8.6011] w=0.3675 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)L76.CB) [> 4.1538 = 6.9231 < 9.0000] w=0.3675 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)I79.CB) [> 4.1404 = 6.9007 < 8.9709] w=0.3675 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)V78.CB) [> 3.6801 = 6.1335 < 7.9736] w=0.3675 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)L76.CB) [> 3.3143 = 5.5239 < 7.1810] w=0.3675 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)I79.CB) [> 2.4804 = 4.1340 < 5.3741] w=0.3675 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)V78.CB) [> 4.2881 = 7.1468 < 9.2909] w=0.3675 to align # Constraint # added constraint: constraint((T0306)K23.CB, (T0306)V78.CB) [> 3.6831 = 6.1385 < 7.9800] w=0.3675 to align # Constraint # added constraint: constraint((T0306)D22.CB, (T0306)V42.CB) [> 3.7563 = 6.2605 < 8.1386] w=0.3675 to align # Constraint # added constraint: constraint((T0306)H21.CB, (T0306)I44.CB) [> 3.8705 = 6.4509 < 8.3862] w=0.3675 to align # Constraint # added constraint: constraint((T0306)L19.CB, (T0306)E53.CB) [> 4.4582 = 7.4303 < 9.6594] w=0.3653 to align # Constraint # added constraint: constraint((T0306)W54.CB, (T0306)G80.CA) [> 3.6286 = 6.0476 < 7.8619] w=0.3632 to align # Constraint # added constraint: constraint((T0306)E28.CB, (T0306)A43.CB) [> 4.0741 = 6.7902 < 8.8273] w=0.3589 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)L24.CB) [> 3.8328 = 6.3881 < 8.3045] w=0.3576 to align # Constraint # added constraint: constraint((T0306)L56.CB, (T0306)I79.CB) [> 3.4784 = 5.7973 < 7.5365] w=0.3574 to align # Constraint # added constraint: constraint((T0306)L57.CB, (T0306)V78.CB) [> 3.9809 = 6.6349 < 8.6253] w=0.3510 to align # Constraint # added constraint: constraint((T0306)E28.CB, (T0306)Q39.CB) [> 3.4142 = 5.6903 < 7.3974] w=0.3426 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)L57.CB) [> 3.3926 = 5.6543 < 7.3505] w=0.3402 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)L57.CB) [> 4.0814 = 6.8024 < 8.8431] w=0.3402 to align # Constraint # added constraint: constraint((T0306)A43.CB, (T0306)L56.CB) [> 4.5602 = 7.6003 < 9.8804] w=0.3390 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)W54.CB) [> 3.3985 = 5.6641 < 7.3633] w=0.3322 to align # Constraint # added constraint: constraint((T0306)L19.CB, (T0306)I44.CB) [> 3.6576 = 6.0960 < 7.9248] w=0.3322 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)W54.CB) [> 4.0527 = 6.7545 < 8.7808] w=0.3322 to align # Constraint # added constraint: constraint((T0306)I10.CB, (T0306)M26.CB) [> 4.6769 = 7.7949 < 10.1334] w=0.3322 to align # Constraint # added constraint: constraint((T0306)V55.CB, (T0306)I79.CB) [> 3.5306 = 5.8843 < 7.6496] w=0.3305 to align # Constraint # added constraint: constraint((T0306)V55.CB, (T0306)V78.CB) [> 4.2925 = 7.1542 < 9.3004] w=0.3305 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)C40.CB) [> 4.0005 = 6.6676 < 8.6679] w=0.3299 to align # Constraint # added constraint: constraint((T0306)S59.CB, (T0306)C77.CB) [> 4.1381 = 6.8968 < 8.9658] w=0.3242 to align # Constraint # added constraint: constraint((T0306)A43.CB, (T0306)L57.CB) [> 4.3432 = 7.2387 < 9.4104] w=0.3239 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)I44.CB) [> 4.2723 = 7.1206 < 9.2568] w=0.3213 to align # Constraint # added constraint: constraint((T0306)V55.CB, (T0306)G80.CA) [> 3.5452 = 5.9086 < 7.6812] w=0.3207 to align # Constraint # added constraint: constraint((T0306)D45.CB, (T0306)G80.CA) [> 4.4212 = 7.3687 < 9.5794] w=0.3199 to align # Constraint # added constraint: constraint((T0306)I44.CB, (T0306)L56.CB) [> 3.3424 = 5.5707 < 7.2419] w=0.3100 to align # Constraint # added constraint: constraint((T0306)K23.CB, (T0306)D45.CB) [> 3.2964 = 5.4940 < 7.1421] w=0.3098 to align # Constraint # added constraint: constraint((T0306)K23.CB, (T0306)N46.CB) [> 4.1478 = 6.9130 < 8.9869] w=0.3081 to align # Constraint # added constraint: constraint((T0306)E28.CB, (T0306)L76.CB) [> 3.9017 = 6.5029 < 8.4537] w=0.3051 to align # Constraint # added constraint: constraint((T0306)Q39.CB, (T0306)V58.CB) [> 3.9102 = 6.5170 < 8.4721] w=0.2988 to align # Constraint # added constraint: constraint((T0306)C40.CB, (T0306)L56.CB) [> 4.1675 = 6.9459 < 9.0296] w=0.2988 to align # Constraint # added constraint: constraint((T0306)C40.CB, (T0306)L57.CB) [> 4.4708 = 7.4513 < 9.6867] w=0.2988 to align # Constraint # added constraint: constraint((T0306)C40.CB, (T0306)V58.CB) [> 3.7730 = 6.2884 < 8.1749] w=0.2988 to align # Constraint # added constraint: constraint((T0306)A41.CB, (T0306)L56.CB) [> 4.4883 = 7.4805 < 9.7247] w=0.2988 to align # Constraint # added constraint: constraint((T0306)A43.CB, (T0306)V55.CB) [> 3.0951 = 5.1584 < 6.7060] w=0.2988 to align # Constraint # added constraint: constraint((T0306)I44.CB, (T0306)W54.CB) [> 3.5655 = 5.9425 < 7.7252] w=0.2988 to align # Constraint # added constraint: constraint((T0306)M29.CB, (T0306)V42.CB) [> 4.0329 = 6.7214 < 8.7379] w=0.2967 to align # Constraint # added constraint: constraint((T0306)K23.CB, (T0306)G48.CA) [> 3.9922 = 6.6536 < 8.6497] w=0.2926 to align # Constraint # added constraint: constraint((T0306)A41.CB, (T0306)T51.CB) [> 4.4753 = 7.4588 < 9.6964] w=0.2876 to align # Constraint # added constraint: constraint((T0306)C40.CB, (T0306)T51.CB) [> 2.7981 = 4.6635 < 6.0626] w=0.2876 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)A63.CB) [> 3.5378 = 5.8963 < 7.6652] w=0.2865 to align # Constraint # added constraint: constraint((T0306)G60.CA, (T0306)I79.CB) [> 4.5141 = 7.5234 < 9.7805] w=0.2776 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)V58.CB) [> 3.1421 = 5.2368 < 6.8078] w=0.2774 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)I44.CB) [> 2.6679 = 4.4465 < 5.7804] w=0.2774 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)C77.CB) [> 4.0458 = 6.7430 < 8.7660] w=0.2760 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)A43.CB) [> 3.8096 = 6.3494 < 8.2542] w=0.2733 to align # Constraint # added constraint: constraint((T0306)S59.CB, (T0306)V82.CB) [> 3.8651 = 6.4418 < 8.3744] w=0.2724 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)I81.CB) [> 4.4282 = 7.3803 < 9.5943] w=0.2720 to align # Constraint # added constraint: constraint((T0306)S59.CB, (T0306)L76.CB) [> 4.6535 = 7.7558 < 10.0825] w=0.2705 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)K23.CB) [> 3.8112 = 6.3520 < 8.2576] w=0.2698 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)L25.CB) [> 3.7177 = 6.1962 < 8.0551] w=0.2698 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)L24.CB) [> 3.7983 = 6.3305 < 8.2296] w=0.2698 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)W54.CB) [> 4.5550 = 7.5917 < 9.8692] w=0.2683 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)D45.CB) [> 3.5563 = 5.9271 < 7.7052] w=0.2672 to align # Constraint # added constraint: constraint((T0306)A63.CB, (T0306)L76.CB) [> 3.7431 = 6.2385 < 8.1100] w=0.2580 to align # Constraint # added constraint: constraint((T0306)I44.CB, (T0306)V55.CB) [> 4.3210 = 7.2017 < 9.3622] w=0.2558 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)L57.CB) [> 4.6743 = 7.7906 < 10.1277] w=0.2544 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)S59.CB) [> 3.5319 = 5.8865 < 7.6524] w=0.2525 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)V58.CB) [> 3.7304 = 6.2173 < 8.0825] w=0.2525 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)S59.CB) [> 3.6752 = 6.1253 < 7.9629] w=0.2525 to align # Constraint # added constraint: constraint((T0306)L19.CB, (T0306)G52.CA) [> 2.5226 = 4.2043 < 5.4656] w=0.2523 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)W54.CB) [> 4.4337 = 7.3895 < 9.6063] w=0.2523 to align # Constraint # added constraint: constraint((T0306)E53.CB, (T0306)G80.CA) [> 3.7245 = 6.2074 < 8.0697] w=0.2428 to align # Constraint # added constraint: constraint((T0306)E53.CB, (T0306)I81.CB) [> 3.8756 = 6.4593 < 8.3971] w=0.2428 to align # Constraint # added constraint: constraint((T0306)W54.CB, (T0306)I79.CB) [> 4.5178 = 7.5296 < 9.7885] w=0.2428 to align # Constraint # added constraint: constraint((T0306)G60.CA, (T0306)D75.CB) [> 3.5826 = 5.9711 < 7.7624] w=0.2428 to align # Constraint # added constraint: constraint((T0306)I10.CB, (T0306)I30.CB) [> 3.1722 = 5.2869 < 6.8730] w=0.2423 to align # Constraint # added constraint: constraint((T0306)A41.CB, (T0306)S59.CB) [> 4.2954 = 7.1589 < 9.3066] w=0.2386 to align # Constraint # added constraint: constraint((T0306)Q39.CB, (T0306)G60.CA) [> 3.7010 = 6.1683 < 8.0188] w=0.2386 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)P36.CB) [> 2.7743 = 4.6239 < 6.0111] w=0.2365 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)G38.CA) [> 4.1948 = 6.9914 < 9.0888] w=0.2365 to align # Constraint # added constraint: constraint((T0306)A49.CB, (T0306)H67.CB) [> 3.3812 = 5.6354 < 7.3260] w=0.2349 to align # Constraint # added constraint: constraint((T0306)G48.CA, (T0306)H67.CB) [> 3.7199 = 6.1999 < 8.0598] w=0.2349 to align # Constraint # added constraint: constraint((T0306)C40.CB, (T0306)V85.CB) [> 4.1634 = 6.9390 < 9.0207] w=0.2295 to align # Constraint # added constraint: constraint((T0306)V42.CB, (T0306)I81.CB) [> 4.1835 = 6.9724 < 9.0641] w=0.2295 to align # Constraint # added constraint: constraint((T0306)L56.CB, (T0306)G80.CA) [> 3.5168 = 5.8614 < 7.6198] w=0.2295 to align # Constraint # added constraint: constraint((T0306)L56.CB, (T0306)I81.CB) [> 3.9752 = 6.6253 < 8.6130] w=0.2295 to align # Constraint # added constraint: constraint((T0306)K23.CB, (T0306)I47.CB) [> 3.8237 = 6.3728 < 8.2846] w=0.2173 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)L57.CB) [> 4.4286 = 7.3810 < 9.5953] w=0.2158 to align # Constraint # added constraint: constraint((T0306)S61.CB, (T0306)V78.CB) [> 4.7055 = 7.8425 < 10.1952] w=0.2145 to align # Constraint # added constraint: constraint((T0306)S61.CB, (T0306)L76.CB) [> 3.6511 = 6.0852 < 7.9108] w=0.2145 to align # Constraint # added constraint: constraint((T0306)I47.CB, (T0306)S61.CB) [> 3.0521 = 5.0868 < 6.6128] w=0.2145 to align # Constraint # added constraint: constraint((T0306)D22.CB, (T0306)A49.CB) [> 3.1468 = 5.2447 < 6.8181] w=0.2121 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)V78.CB) [> 4.4742 = 7.4570 < 9.6941] w=0.2116 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)I79.CB) [> 2.5583 = 4.2638 < 5.5429] w=0.2116 to align # Constraint # added constraint: constraint((T0306)G48.CA, (T0306)A63.CB) [> 3.5620 = 5.9366 < 7.7176] w=0.2113 to align # Constraint # added constraint: constraint((T0306)I47.CB, (T0306)A63.CB) [> 3.1157 = 5.1928 < 6.7506] w=0.2113 to align # Constraint # added constraint: constraint((T0306)D45.CB, (T0306)W54.CB) [> 4.4486 = 7.4144 < 9.6386] w=0.2108 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)A43.CB) [> 4.4779 = 7.4632 < 9.7021] w=0.2057 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)V42.CB) [> 3.6282 = 6.0470 < 7.8611] w=0.2057 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)I47.CB) [> 3.9125 = 6.5209 < 8.4772] w=0.2056 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)W54.CB) [> 3.6167 = 6.0278 < 7.8362] w=0.2034 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)L56.CB) [> 3.6271 = 6.0451 < 7.8587] w=0.2034 to align # Constraint # added constraint: constraint((T0306)A49.CB, (T0306)V58.CB) [> 3.9123 = 6.5205 < 8.4766] w=0.1874 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)L76.CB) [> 2.8948 = 4.8246 < 6.2720] w=0.1848 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)D75.CB) [> 4.1552 = 6.9253 < 9.0029] w=0.1848 to align # Constraint # added constraint: constraint((T0306)R15.CB, (T0306)E53.CB) [> 4.6767 = 7.7945 < 10.1329] w=0.1848 to align # Constraint # added constraint: constraint((T0306)N46.CB, (T0306)V58.CB) [> 4.5425 = 7.5708 < 9.8420] w=0.1825 to align # Constraint # added constraint: constraint((T0306)G8.CA, (T0306)L57.CB) [> 3.8230 = 6.3716 < 8.2831] w=0.1806 to align # Constraint # added constraint: constraint((T0306)G8.CA, (T0306)V58.CB) [> 2.9702 = 4.9503 < 6.4354] w=0.1806 to align # Constraint # added constraint: constraint((T0306)Q9.CB, (T0306)L56.CB) [> 4.0472 = 6.7453 < 8.7689] w=0.1806 to align # Constraint # added constraint: constraint((T0306)Q9.CB, (T0306)L57.CB) [> 2.6085 = 4.3474 < 5.6517] w=0.1806 to align # Constraint # added constraint: constraint((T0306)I10.CB, (T0306)V55.CB) [> 4.0853 = 6.8088 < 8.8514] w=0.1806 to align # Constraint # added constraint: constraint((T0306)I10.CB, (T0306)L56.CB) [> 2.6653 = 4.4422 < 5.7748] w=0.1806 to align # Constraint # added constraint: constraint((T0306)I10.CB, (T0306)L57.CB) [> 4.5509 = 7.5849 < 9.8603] w=0.1806 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)V55.CB) [> 3.2697 = 5.4495 < 7.0843] w=0.1806 to align # Constraint # added constraint: constraint((T0306)C12.CB, (T0306)W54.CB) [> 2.6972 = 4.4953 < 5.8439] w=0.1806 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)T51.CB) [> 4.2479 = 7.0799 < 9.2038] w=0.1806 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)G52.CA) [> 3.8233 = 6.3721 < 8.2838] w=0.1806 to align # Constraint # added constraint: constraint((T0306)A20.CB, (T0306)A49.CB) [> 3.5082 = 5.8471 < 7.6012] w=0.1806 to align # Constraint # added constraint: constraint((T0306)D45.CB, (T0306)V55.CB) [> 3.6002 = 6.0003 < 7.8003] w=0.1806 to align # Constraint # added constraint: constraint((T0306)V55.CB, (T0306)I81.CB) [> 4.6933 = 7.8221 < 10.1688] w=0.1793 to align # Constraint # added constraint: constraint((T0306)G60.CA, (T0306)C77.CB) [> 3.2518 = 5.4196 < 7.0455] w=0.1793 to align # Constraint # added constraint: constraint((T0306)H16.CB, (T0306)L25.CB) [> 4.2489 = 7.0815 < 9.2059] w=0.1785 to align # Constraint # added constraint: constraint((T0306)N46.CB, (T0306)L57.CB) [> 3.1128 = 5.1881 < 6.7445] w=0.1703 to align # Constraint # added constraint: constraint((T0306)N46.CB, (T0306)L56.CB) [> 4.1881 = 6.9802 < 9.0742] w=0.1703 to align # Constraint # added constraint: constraint((T0306)A41.CB, (T0306)G50.CA) [> 3.0611 = 5.1018 < 6.6323] w=0.1638 to align # Constraint # added constraint: constraint((T0306)D45.CB, (T0306)S62.CB) [> 4.0350 = 6.7251 < 8.7426] w=0.1638 to align # Constraint # added constraint: constraint((T0306)I47.CB, (T0306)L57.CB) [> 3.8875 = 6.4791 < 8.4229] w=0.1638 to align # Constraint # added constraint: constraint((T0306)I47.CB, (T0306)V58.CB) [> 3.9930 = 6.6550 < 8.6515] w=0.1638 to align # Constraint # added constraint: constraint((T0306)I47.CB, (T0306)S62.CB) [> 4.0810 = 6.8017 < 8.8422] w=0.1638 to align # Constraint # added constraint: constraint((T0306)I47.CB, (T0306)A66.CB) [> 2.3095 = 3.8492 < 5.0040] w=0.1638 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)D45.CB) [> 3.9511 = 6.5851 < 8.5607] w=0.1628 to align # Constraint # added constraint: constraint((T0306)I10.CB, (T0306)I44.CB) [> 4.2317 = 7.0528 < 9.1687] w=0.1549 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)V42.CB) [> 2.8442 = 4.7404 < 6.1625] w=0.1549 to align # Constraint # added constraint: constraint((T0306)H16.CB, (T0306)C40.CB) [> 4.0306 = 6.7177 < 8.7331] w=0.1549 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)L56.CB) [> 4.4434 = 7.4056 < 9.6273] w=0.1516 to align # Constraint # added constraint: constraint((T0306)K23.CB, (T0306)A41.CB) [> 3.3373 = 5.5622 < 7.2308] w=0.1516 to align # Constraint # added constraint: constraint((T0306)C12.CB, (T0306)V27.CB) [> 4.3443 = 7.2405 < 9.4127] w=0.1516 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)A49.CB) [> 4.6164 = 7.6940 < 10.0023] w=0.1516 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)V27.CB) [> 4.7258 = 7.8763 < 10.2392] w=0.1516 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)M26.CB) [> 3.4223 = 5.7039 < 7.4150] w=0.1516 to align # Constraint # added constraint: constraint((T0306)Q9.CB, (T0306)V85.CB) [> 4.6077 = 7.6796 < 9.9834] w=0.1516 to align # Constraint # added constraint: constraint((T0306)Q9.CB, (T0306)V27.CB) [> 4.1676 = 6.9460 < 9.0298] w=0.1516 to align # Constraint # added constraint: constraint((T0306)Q9.CB, (T0306)M26.CB) [> 3.6202 = 6.0337 < 7.8438] w=0.1516 to align # Constraint # added constraint: constraint((T0306)S61.CB, (T0306)D75.CB) [> 4.0195 = 6.6992 < 8.7090] w=0.1516 to align # Constraint # added constraint: constraint((T0306)W54.CB, (T0306)I81.CB) [> 2.4888 = 4.1480 < 5.3924] w=0.1516 to align # Constraint # added constraint: constraint((T0306)D45.CB, (T0306)L57.CB) [> 2.7971 = 4.6618 < 6.0604] w=0.1516 to align # Constraint # added constraint: constraint((T0306)A43.CB, (T0306)S62.CB) [> 3.2105 = 5.3508 < 6.9560] w=0.1516 to align # Constraint # added constraint: constraint((T0306)A43.CB, (T0306)G60.CA) [> 3.5688 = 5.9480 < 7.7324] w=0.1516 to align # Constraint # added constraint: constraint((T0306)A43.CB, (T0306)V58.CB) [> 3.5485 = 5.9142 < 7.6885] w=0.1516 to align # Constraint # added constraint: constraint((T0306)E28.CB, (T0306)D37.CB) [> 2.9662 = 4.9437 < 6.4268] w=0.1516 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)V85.CB) [> 4.1583 = 6.9305 < 9.0097] w=0.1516 to align # Constraint # added constraint: constraint((T0306)W54.CB, (T0306)V82.CB) [> 4.7192 = 7.8653 < 10.2249] w=0.1481 to align # Constraint # added constraint: constraint((T0306)W54.CB, (T0306)L76.CB) [> 3.4178 = 5.6964 < 7.4053] w=0.1414 to align # Constraint # added constraint: constraint((T0306)V42.CB, (T0306)V82.CB) [> 3.8742 = 6.4569 < 8.3940] w=0.1414 to align # Constraint # added constraint: constraint((T0306)A41.CB, (T0306)V58.CB) [> 4.4165 = 7.3608 < 9.5690] w=0.1370 to align # Constraint # added constraint: constraint((T0306)K23.CB, (T0306)G60.CA) [> 3.8729 = 6.4548 < 8.3913] w=0.1368 to align # Constraint # added constraint: constraint((T0306)A63.CB, (T0306)V74.CB) [> 3.5453 = 5.9088 < 7.6814] w=0.1352 to align # Constraint # added constraint: constraint((T0306)C40.CB, (T0306)G52.CA) [> 4.5921 = 7.6535 < 9.9496] w=0.1344 to align # Constraint # added constraint: constraint((T0306)W54.CB, (T0306)E84.CB) [> 3.8795 = 6.4659 < 8.4057] w=0.1288 to align # Constraint # added constraint: constraint((T0306)E53.CB, (T0306)V82.CB) [> 3.3514 = 5.5856 < 7.2613] w=0.1288 to align # Constraint # added constraint: constraint((T0306)C40.CB, (T0306)E84.CB) [> 4.4880 = 7.4801 < 9.7241] w=0.1288 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)A41.CB) [> 3.5036 = 5.8393 < 7.5910] w=0.1225 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)D45.CB) [> 3.9691 = 6.6152 < 8.5998] w=0.1225 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)G80.CA) [> 3.7351 = 6.2251 < 8.0927] w=0.1204 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)V82.CB) [> 3.3435 = 5.5725 < 7.2443] w=0.1204 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)G80.CA) [> 4.0458 = 6.7430 < 8.7659] w=0.1204 to align # Constraint # added constraint: constraint((T0306)K23.CB, (T0306)V85.CB) [> 3.5405 = 5.9009 < 7.6712] w=0.1204 to align # Constraint # added constraint: constraint((T0306)K23.CB, (T0306)V82.CB) [> 4.1149 = 6.8582 < 8.9157] w=0.1204 to align # Constraint # added constraint: constraint((T0306)V14.CB, (T0306)V82.CB) [> 4.0612 = 6.7686 < 8.7992] w=0.1204 to align # Constraint # added constraint: constraint((T0306)C12.CB, (T0306)G80.CA) [> 3.1302 = 5.2171 < 6.7822] w=0.1204 to align # Constraint # added constraint: constraint((T0306)I10.CB, (T0306)V78.CB) [> 3.1737 = 5.2895 < 6.8763] w=0.1204 to align # Constraint # added constraint: constraint((T0306)M29.CB, (T0306)C77.CB) [> 2.7621 = 4.6036 < 5.9846] w=0.1204 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)I81.CB) [> 2.6264 = 4.3774 < 5.6906] w=0.1204 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)V82.CB) [> 4.3455 = 7.2425 < 9.4152] w=0.1204 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)G80.CA) [> 3.2693 = 5.4489 < 7.0835] w=0.1204 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)I81.CB) [> 4.5691 = 7.6152 < 9.8998] w=0.1204 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)G80.CA) [> 3.9281 = 6.5469 < 8.5110] w=0.1204 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)I81.CB) [> 3.8277 = 6.3796 < 8.2934] w=0.1204 to align # Constraint # added constraint: constraint((T0306)C12.CB, (T0306)K23.CB) [> 4.7784 = 7.9640 < 10.3533] w=0.1183 to align # Constraint # added constraint: constraint((T0306)I10.CB, (T0306)L25.CB) [> 3.7889 = 6.3149 < 8.2093] w=0.1183 to align # Constraint # added constraint: constraint((T0306)I10.CB, (T0306)L24.CB) [> 3.3710 = 5.6184 < 7.3039] w=0.1183 to align # Constraint # added constraint: constraint((T0306)V5.CB, (T0306)A66.CB) [> 4.6197 = 7.6995 < 10.0094] w=0.1183 to align # Constraint # added constraint: constraint((T0306)L3.CB, (T0306)A66.CB) [> 3.9517 = 6.5862 < 8.5621] w=0.1183 to align # Constraint # added constraint: constraint((T0306)L3.CB, (T0306)A63.CB) [> 4.2473 = 7.0788 < 9.2024] w=0.1183 to align # Constraint # added constraint: constraint((T0306)L3.CB, (T0306)S62.CB) [> 3.6343 = 6.0572 < 7.8744] w=0.1183 to align # Constraint # added constraint: constraint((T0306)A43.CB, (T0306)W54.CB) [> 4.3490 = 7.2483 < 9.4228] w=0.1183 to align # Constraint # added constraint: constraint((T0306)E28.CB, (T0306)T71.CB) [> 4.2553 = 7.0921 < 9.2198] w=0.1183 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)L56.CB) [> 3.1244 = 5.2073 < 6.7695] w=0.1157 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)G50.CA) [> 4.7297 = 7.8829 < 10.2477] w=0.1157 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)S61.CB) [> 3.9994 = 6.6657 < 8.6654] w=0.1157 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)V58.CB) [> 4.0518 = 6.7530 < 8.7789] w=0.1157 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)N46.CB) [> 4.5918 = 7.6530 < 9.9489] w=0.1157 to align # Constraint # added constraint: constraint((T0306)K23.CB, (T0306)S61.CB) [> 3.0436 = 5.0727 < 6.5945] w=0.1157 to align # Constraint # added constraint: constraint((T0306)P32.CB, (T0306)V55.CB) [> 4.4587 = 7.4312 < 9.6606] w=0.1157 to align # Constraint # added constraint: constraint((T0306)K2.CB, (T0306)T13.CB) [> 3.4942 = 5.8236 < 7.5707] w=0.1146 to align # Constraint # added constraint: constraint((T0306)K2.CB, (T0306)C12.CB) [> 4.0477 = 6.7462 < 8.7700] w=0.1146 to align # Constraint # added constraint: constraint((T0306)V58.CB, (T0306)G80.CA) [> 3.5111 = 5.8519 < 7.6074] w=0.1131 to align # Constraint # added constraint: constraint((T0306)N46.CB, (T0306)I79.CB) [> 4.0070 = 6.6783 < 8.6818] w=0.1103 to align # Constraint # added constraint: constraint((T0306)V42.CB, (T0306)E84.CB) [> 4.3510 = 7.2517 < 9.4272] w=0.1011 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)E84.CB) [> 3.5596 = 5.9327 < 7.7125] w=0.1011 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)E84.CB) [> 4.3249 = 7.2081 < 9.3705] w=0.1011 to align # Constraint # added constraint: constraint((T0306)V42.CB, (T0306)V85.CB) [> 4.1681 = 6.9469 < 9.0309] w=0.1007 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)I81.CB) [> 4.1228 = 6.8713 < 8.9328] w=0.0995 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)D75.CB) [> 4.6168 = 7.6947 < 10.0031] w=0.0912 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)V82.CB) [> 2.5580 = 4.2634 < 5.5424] w=0.0912 to align # Constraint # added constraint: constraint((T0306)E28.CB, (T0306)V82.CB) [> 4.2845 = 7.1408 < 9.2830] w=0.0912 to align # Constraint # added constraint: constraint((T0306)C40.CB, (T0306)I79.CB) [> 2.9228 = 4.8713 < 6.3327] w=0.0912 to align # Constraint # added constraint: constraint((T0306)C40.CB, (T0306)G80.CA) [> 3.1870 = 5.3116 < 6.9051] w=0.0912 to align # Constraint # added constraint: constraint((T0306)C40.CB, (T0306)I81.CB) [> 3.8357 = 6.3928 < 8.3107] w=0.0912 to align # Constraint # added constraint: constraint((T0306)C40.CB, (T0306)V82.CB) [> 3.4471 = 5.7452 < 7.4687] w=0.0912 to align # Constraint # added constraint: constraint((T0306)A41.CB, (T0306)I79.CB) [> 4.4072 = 7.3454 < 9.5490] w=0.0912 to align # Constraint # added constraint: constraint((T0306)V42.CB, (T0306)C77.CB) [> 3.9384 = 6.5640 < 8.5332] w=0.0912 to align # Constraint # added constraint: constraint((T0306)V42.CB, (T0306)I79.CB) [> 2.4867 = 4.1445 < 5.3879] w=0.0912 to align # Constraint # added constraint: constraint((T0306)W54.CB, (T0306)V78.CB) [> 4.1446 = 6.9076 < 8.9799] w=0.0912 to align # Constraint # added constraint: constraint((T0306)V58.CB, (T0306)D75.CB) [> 4.2241 = 7.0402 < 9.1523] w=0.0912 to align # Constraint # added constraint: constraint((T0306)I10.CB, (T0306)D31.CB) [> 3.8195 = 6.3658 < 8.2755] w=0.0907 to align # Constraint # added constraint: constraint((T0306)H16.CB, (T0306)M26.CB) [> 3.5246 = 5.8744 < 7.6367] w=0.0907 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)S62.CB) [> 4.1031 = 6.8384 < 8.8900] w=0.0877 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)V55.CB) [> 3.0253 = 5.0422 < 6.5549] w=0.0877 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)W54.CB) [> 3.6536 = 6.0893 < 7.9161] w=0.0877 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)L57.CB) [> 4.2634 = 7.1056 < 9.2373] w=0.0877 to align # Constraint # added constraint: constraint((T0306)K23.CB, (T0306)L56.CB) [> 4.0081 = 6.6802 < 8.6842] w=0.0877 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)M26.CB) [> 3.1194 = 5.1989 < 6.7586] w=0.0877 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)L25.CB) [> 4.5659 = 7.6099 < 9.8928] w=0.0877 to align # Constraint # added constraint: constraint((T0306)I79.CB, (T0306)F93.CB) [> 3.4657 = 5.7762 < 7.5091] w=0.0877 to align # Constraint # added constraint: constraint((T0306)I79.CB, (T0306)I92.CB) [> 4.6031 = 7.6719 < 9.9734] w=0.0877 to align # Constraint # added constraint: constraint((T0306)V78.CB, (T0306)F93.CB) [> 4.1944 = 6.9907 < 9.0879] w=0.0877 to align # Constraint # added constraint: constraint((T0306)C77.CB, (T0306)F93.CB) [> 3.2293 = 5.3822 < 6.9969] w=0.0877 to align # Constraint # added constraint: constraint((T0306)G60.CA, (T0306)V86.CB) [> 3.6790 = 6.1317 < 7.9712] w=0.0877 to align # Constraint # added constraint: constraint((T0306)G60.CA, (T0306)V85.CB) [> 3.7197 = 6.1995 < 8.0593] w=0.0877 to align # Constraint # added constraint: constraint((T0306)S59.CB, (T0306)V85.CB) [> 3.2511 = 5.4186 < 7.0441] w=0.0877 to align # Constraint # added constraint: constraint((T0306)V55.CB, (T0306)F93.CB) [> 4.5156 = 7.5260 < 9.7838] w=0.0877 to align # Constraint # added constraint: constraint((T0306)W54.CB, (T0306)C77.CB) [> 4.0628 = 6.7714 < 8.8028] w=0.0877 to align # Constraint # added constraint: constraint((T0306)L57.CB, (T0306)G80.CA) [> 4.0864 = 6.8107 < 8.8540] w=0.0862 to align # Constraint # added constraint: constraint((T0306)G60.CA, (T0306)G80.CA) [> 3.2102 = 5.3504 < 6.9555] w=0.0853 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)T51.CB) [> 4.0587 = 6.7646 < 8.7939] w=0.0849 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)L56.CB) [> 2.2397 = 3.7329 < 4.8528] w=0.0832 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)C40.CB) [> 3.6344 = 6.0574 < 7.8745] w=0.0832 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)A41.CB) [> 3.6973 = 6.1622 < 8.0108] w=0.0832 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)N46.CB) [> 4.0180 = 6.6967 < 8.7057] w=0.0805 to align # Constraint # added constraint: constraint((T0306)G60.CA, (T0306)I81.CB) [> 2.3930 = 3.9884 < 5.1849] w=0.0805 to align # Constraint # added constraint: constraint((T0306)G60.CA, (T0306)V82.CB) [> 3.6382 = 6.0636 < 7.8827] w=0.0805 to align # Constraint # added constraint: constraint((T0306)G8.CA, (T0306)A66.CB) [> 3.7698 = 6.2831 < 8.1680] w=0.0788 to align # Constraint # added constraint: constraint((T0306)A41.CB, (T0306)D83.CB) [> 3.3102 = 5.5171 < 7.1722] w=0.0779 to align # Constraint # added constraint: constraint((T0306)C40.CB, (T0306)D83.CB) [> 3.7952 = 6.3253 < 8.2229] w=0.0779 to align # Constraint # added constraint: constraint((T0306)L3.CB, (T0306)C12.CB) [> 3.5464 = 5.9106 < 7.6838] w=0.0752 to align # Constraint # added constraint: constraint((T0306)L3.CB, (T0306)T13.CB) [> 4.7608 = 7.9348 < 10.3152] w=0.0752 to align # Constraint # added constraint: constraint((T0306)L3.CB, (T0306)L25.CB) [> 3.7120 = 6.1867 < 8.0427] w=0.0752 to align # Constraint # added constraint: constraint((T0306)A4.CB, (T0306)T13.CB) [> 4.0309 = 6.7181 < 8.7336] w=0.0752 to align # Constraint # added constraint: constraint((T0306)C12.CB, (T0306)I47.CB) [> 3.3272 = 5.5453 < 7.2090] w=0.0752 to align # Constraint # added constraint: constraint((T0306)L24.CB, (T0306)V55.CB) [> 4.3745 = 7.2908 < 9.4780] w=0.0752 to align # Constraint # added constraint: constraint((T0306)L25.CB, (T0306)I47.CB) [> 3.4164 = 5.6940 < 7.4022] w=0.0752 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)I47.CB) [> 4.6649 = 7.7749 < 10.1074] w=0.0752 to align # Constraint # added constraint: constraint((T0306)V27.CB, (T0306)I47.CB) [> 4.6974 = 7.8289 < 10.1776] w=0.0752 to align # Constraint # added constraint: constraint((T0306)C40.CB, (T0306)D75.CB) [> 4.7339 = 7.8899 < 10.2569] w=0.0616 to align # Constraint # added constraint: constraint((T0306)G80.CA, (T0306)F93.CB) [> 4.3700 = 7.2833 < 9.4683] w=0.0585 to align # Constraint # added constraint: constraint((T0306)G80.CA, (T0306)I92.CB) [> 3.0406 = 5.0676 < 6.5879] w=0.0585 to align # Constraint # added constraint: constraint((T0306)V58.CB, (T0306)D83.CB) [> 3.1275 = 5.2126 < 6.7764] w=0.0554 to align # Constraint # added constraint: constraint((T0306)L57.CB, (T0306)D83.CB) [> 4.6216 = 7.7026 < 10.0134] w=0.0554 to align # Constraint # added constraint: constraint((T0306)L57.CB, (T0306)D75.CB) [> 4.4720 = 7.4533 < 9.6893] w=0.0537 to align # Constraint # added constraint: constraint((T0306)V55.CB, (T0306)S72.CB) [> 2.6940 = 4.4901 < 5.8371] w=0.0537 to align # Constraint # added constraint: constraint((T0306)W54.CB, (T0306)S72.CB) [> 4.0227 = 6.7046 < 8.7160] w=0.0537 to align # Constraint # added constraint: constraint((T0306)Q9.CB, (T0306)V86.CB) [> 4.5485 = 7.5809 < 9.8551] w=0.0505 to align # Constraint # added constraint: constraint((T0306)M26.CB, (T0306)V86.CB) [> 4.4394 = 7.3990 < 9.6186] w=0.0505 to align # Constraint # added constraint: constraint((T0306)T51.CB, (T0306)D83.CB) [> 4.3540 = 7.2566 < 9.4336] w=0.0505 to align # Constraint # added constraint: constraint((T0306)A41.CB, (T0306)I81.CB) [> 3.3143 = 5.5238 < 7.1810] w=0.0502 to align # Constraint # added constraint: constraint((T0306)A43.CB, (T0306)G80.CA) [> 3.9509 = 6.5848 < 8.5602] w=0.0502 to align # Constraint # added constraint: constraint((T0306)A43.CB, (T0306)I81.CB) [> 3.1230 = 5.2050 < 6.7665] w=0.0502 to align # Constraint # added constraint: constraint((T0306)I44.CB, (T0306)I81.CB) [> 4.5124 = 7.5206 < 9.7768] w=0.0502 to align # Constraint # added constraint: constraint((T0306)I47.CB, (T0306)G80.CA) [> 4.7856 = 7.9760 < 10.3688] w=0.0502 to align # Constraint # added constraint: constraint((T0306)K2.CB, (T0306)V11.CB) [> 4.2690 = 7.1150 < 9.2495] w=0.0394 to align # Constraint # added constraint: constraint((T0306)K2.CB, (T0306)V14.CB) [> 3.8259 = 6.3764 < 8.2894] w=0.0394 to align # Constraint # added constraint: constraint((T0306)K23.CB, (T0306)W54.CB) [> 4.6541 = 7.7569 < 10.0840] w=0.0302 to align # Constraint # added constraint: constraint((T0306)V58.CB, (T0306)E84.CB) [> 3.5722 = 5.9537 < 7.7398] w=0.0292 to align # Constraint # added constraint: constraint((T0306)G60.CA, (T0306)E84.CB) [> 3.1554 = 5.2589 < 6.8366] w=0.0292 to align # Constraint # added constraint: constraint((T0306)V42.CB, (T0306)D83.CB) [> 2.4773 = 4.1289 < 5.3676] w=0.0277 to align # Constraint # added constraint: constraint((T0306)C40.CB, (T0306)I92.CB) [> 4.3502 = 7.2503 < 9.4254] w=0.0277 to align # Constraint # added constraint: constraint((T0306)T13.CB, (T0306)I81.CB) [> 3.1643 = 5.2738 < 6.8560] w=0.0277 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)G80.CA) [> 3.8515 = 6.4192 < 8.3450] w=0.0277 to align # Constraint # added constraint: constraint((T0306)V11.CB, (T0306)I79.CB) [> 4.1574 = 6.9290 < 9.0077] w=0.0277 to align # Constraint # added constraint: constraint((T0306)D83.CB, (T0306)I92.CB) [> 4.2813 = 7.1355 < 9.2761] w=0.0277 to align # Constraint # added constraint: constraint((T0306)L57.CB, (T0306)I81.CB) [> 4.7557 = 7.9261 < 10.3039] w=0.0277 to align # Constraint # added constraint: constraint((T0306)N46.CB, (T0306)V55.CB) [> 3.2872 = 5.4787 < 7.1223] w=0.0187 to align # Constraint # added constraint: constraint((T0306)V42.CB, (T0306)L76.CB) [> 4.5990 = 7.6650 < 9.9645] w=0.0062 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0306/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0306/decoys/ # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.6mer-2a10.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//6mer-2a10 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.model4_6mer_renumber.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//model4_6mer_renumber # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 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 # Found a chain break before 68 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # 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 T0306 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 T0306 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 # Found a chain break before 90 # copying to AlignedFragments data structure # 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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # 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 T0306 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 T0306 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 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 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 T0306 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS5 # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 74 # 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 24 # 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 76 # 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 92 # 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 27 # 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 92 # 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 87 # 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 87 # 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 87 # 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 85 # 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 65 # 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 # 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 94 # 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 94 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 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 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0306)D83.C and (T0306)E84.N only 0.000 apart, marking (T0306)E84.N as missing WARNING: atoms too close: (T0306)E84.N and (T0306)E84.CA only 0.000 apart, marking (T0306)E84.CA as missing WARNING: atoms too close: (T0306)D83.C and (T0306)E84.CA only 0.000 apart, marking (T0306)E84.CA as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)E84.CB only 0.000 apart, marking (T0306)E84.CB as missing WARNING: atoms too close: (T0306)E84.N and (T0306)E84.CB only 0.000 apart, marking (T0306)E84.CB as missing WARNING: atoms too close: (T0306)D83.C and (T0306)E84.CB only 0.000 apart, marking (T0306)E84.CB as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)E84.CG only 0.000 apart, marking (T0306)E84.CG as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)E84.CG only 0.000 apart, marking (T0306)E84.CG as missing WARNING: atoms too close: (T0306)E84.N and (T0306)E84.CG only 0.000 apart, marking (T0306)E84.CG as missing WARNING: atoms too close: (T0306)D83.C and (T0306)E84.CG only 0.000 apart, marking (T0306)E84.CG as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)E84.CD only 0.000 apart, marking (T0306)E84.CD as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)E84.CD only 0.000 apart, marking (T0306)E84.CD as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)E84.CD only 0.000 apart, marking (T0306)E84.CD as missing WARNING: atoms too close: (T0306)E84.N and (T0306)E84.CD only 0.000 apart, marking (T0306)E84.CD as missing WARNING: atoms too close: (T0306)D83.C and (T0306)E84.CD only 0.000 apart, marking (T0306)E84.CD as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)E84.OE1 only 0.000 apart, marking (T0306)E84.OE1 as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)E84.OE1 only 0.000 apart, marking (T0306)E84.OE1 as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)E84.OE1 only 0.000 apart, marking (T0306)E84.OE1 as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)E84.OE1 only 0.000 apart, marking (T0306)E84.OE1 as missing WARNING: atoms too close: (T0306)E84.N and (T0306)E84.OE1 only 0.000 apart, marking (T0306)E84.OE1 as missing WARNING: atoms too close: (T0306)D83.C and (T0306)E84.OE1 only 0.000 apart, marking (T0306)E84.OE1 as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)E84.OE2 only 0.000 apart, marking (T0306)E84.OE2 as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)E84.OE2 only 0.000 apart, marking (T0306)E84.OE2 as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)E84.OE2 only 0.000 apart, marking (T0306)E84.OE2 as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)E84.OE2 only 0.000 apart, marking (T0306)E84.OE2 as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)E84.OE2 only 0.000 apart, marking (T0306)E84.OE2 as missing WARNING: atoms too close: (T0306)E84.N and (T0306)E84.OE2 only 0.000 apart, marking (T0306)E84.OE2 as missing WARNING: atoms too close: (T0306)D83.C and (T0306)E84.OE2 only 0.000 apart, marking (T0306)E84.OE2 as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)E84.O only 0.000 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)E84.O only 0.000 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)E84.O only 0.000 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)E84.O only 0.000 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)E84.O only 0.000 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)E84.O only 0.000 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)E84.N and (T0306)E84.O only 0.000 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)D83.C and (T0306)E84.O only 0.000 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)E84.O and (T0306)E84.C only 0.000 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)E84.C only 0.000 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)E84.C only 0.000 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)E84.C only 0.000 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)E84.C only 0.000 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)E84.C only 0.000 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)E84.C only 0.000 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.N and (T0306)E84.C only 0.000 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)D83.C and (T0306)E84.C only 0.000 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V85.N only 0.000 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V85.N only 0.000 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V85.N only 0.000 apart, marking (T0306)E84.OE2 as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V85.N only 0.000 apart, marking (T0306)E84.OE1 as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V85.N only 0.000 apart, marking (T0306)E84.CD as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V85.N only 0.000 apart, marking (T0306)E84.CG as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V85.N only 0.000 apart, marking (T0306)E84.CB as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V85.N only 0.000 apart, marking (T0306)E84.CA as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V85.N only 0.000 apart, marking (T0306)E84.N as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V85.N only 0.000 apart, marking (T0306)V85.N as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V85.CA only 0.000 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V85.CA only 0.000 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V85.CA only 0.000 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V85.CA only 0.000 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V85.CA only 0.000 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V85.CA only 0.000 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V85.CA only 0.000 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V85.CA only 0.000 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V85.CA only 0.000 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V85.CA only 0.000 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V85.CA only 0.000 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V85.CB only 0.000 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V85.CB only 0.000 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V85.CB only 0.000 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V85.CB only 0.000 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V85.CB only 0.000 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V85.CB only 0.000 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V85.CB only 0.000 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V85.CB only 0.000 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V85.CB only 0.000 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V85.CB only 0.000 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V85.CB only 0.000 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V85.CB only 0.000 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V85.CG1 only 0.000 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V85.CG1 only 0.000 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V85.CG1 only 0.000 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V85.CG1 only 0.000 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V85.CG1 only 0.000 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V85.CG1 only 0.000 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V85.CG1 only 0.000 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V85.CG1 only 0.000 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V85.CG1 only 0.000 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V85.CG1 only 0.000 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V85.CG1 only 0.000 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V85.CG1 only 0.000 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V85.CG1 only 0.000 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V85.CG2 only 0.000 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V85.CG2 only 0.000 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V85.CG2 only 0.000 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V85.CG2 only 0.000 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V85.CG2 only 0.000 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V85.CG2 only 0.000 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V85.CG2 only 0.000 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V85.CG2 only 0.000 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V85.CG2 only 0.000 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V85.CG2 only 0.000 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V85.CG2 only 0.000 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V85.CG2 only 0.000 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V85.CG2 only 0.000 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V85.CG2 only 0.000 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)V85.CG2 and (T0306)V85.O only 0.000 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V85.O only 0.000 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V85.O only 0.000 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V85.O only 0.000 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V85.O only 0.000 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V85.O only 0.000 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V85.O only 0.000 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V85.O only 0.000 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V85.O only 0.000 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V85.O only 0.000 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V85.O only 0.000 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V85.O only 0.000 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V85.O only 0.000 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V85.O only 0.000 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V85.O only 0.000 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)V85.O and (T0306)V85.C only 0.000 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)V85.CG2 and (T0306)V85.C only 0.000 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V85.C only 0.000 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V85.C only 0.000 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V85.C only 0.000 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V85.C only 0.000 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V85.C only 0.000 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V85.C only 0.000 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V85.C only 0.000 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V85.C only 0.000 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V85.C only 0.000 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V85.C only 0.000 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V85.C only 0.000 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V85.C only 0.000 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V85.C only 0.000 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V85.C only 0.000 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)V85.C and (T0306)V86.N only 0.000 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)V85.O and (T0306)V86.N only 0.000 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)V85.CG2 and (T0306)V86.N only 0.000 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V86.N only 0.000 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V86.N only 0.000 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V86.N only 0.000 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V86.N only 0.000 apart, marking (T0306)V85.N as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V86.N only 0.000 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V86.N only 0.000 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V86.N only 0.000 apart, marking (T0306)E84.OE2 as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V86.N only 0.000 apart, marking (T0306)E84.OE1 as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V86.N only 0.000 apart, marking (T0306)E84.CD as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V86.N only 0.000 apart, marking (T0306)E84.CG as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V86.N only 0.000 apart, marking (T0306)E84.CB as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V86.N only 0.000 apart, marking (T0306)E84.CA as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V86.N only 0.000 apart, marking (T0306)E84.N as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V86.N only 0.000 apart, marking (T0306)V86.N as missing WARNING: atoms too close: (T0306)V86.N and (T0306)V86.CA only 0.000 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)V85.C and (T0306)V86.CA only 0.000 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)V85.O and (T0306)V86.CA only 0.000 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)V85.CG2 and (T0306)V86.CA only 0.000 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V86.CA only 0.000 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V86.CA only 0.000 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V86.CA only 0.000 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V86.CA only 0.000 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V86.CA only 0.000 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V86.CA only 0.000 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V86.CA only 0.000 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V86.CA only 0.000 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V86.CA only 0.000 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V86.CA only 0.000 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V86.CA only 0.000 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V86.CA only 0.000 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V86.CA only 0.000 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V86.CA only 0.000 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)V86.CA and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)V86.N and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)V85.C and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)V85.O and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)V85.CG2 and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V86.CB only 0.000 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)V86.CB and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V86.CA and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V86.N and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V85.C and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V85.O and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V85.CG2 and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V86.CG1 only 0.000 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V86.CG1 and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V86.CB and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V86.CA and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V86.N and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V85.C and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V85.O and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V85.CG2 and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V86.CG2 only 0.000 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V86.CG2 and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V86.CG1 and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V86.CB and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V86.CA and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V86.N and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V85.C and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V85.O and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V85.CG2 and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V86.O only 0.000 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V86.O and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V86.CG2 and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V86.CG1 and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V86.CB and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V86.CA and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V86.N and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V85.C and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V85.O and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V85.CG2 and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V86.C only 0.000 apart, marking (T0306)V86.C as missing # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 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 T0306 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 T0306 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 T0306 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 T0306 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 T0306 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 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 T0306 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 94 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 24 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 23 # 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 55 # 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 64 # 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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 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 T0306 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 Skipped atom 59, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 128, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 228, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 230, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 232, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0306 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 T0306 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 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 T0306 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 Skipped atom 59, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 128, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 228, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 230, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 232, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz # WARNING: incomplete conformation T0306 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 T0306 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # Found a chain break before 78 # 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 T0306 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 T0306 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 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 T0306 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 5 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # 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 64 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # naming current conformation HHpred2_TS1 # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # naming current conformation HHpred3_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 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 T0306 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 T0306 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 T0306 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 T0306 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 T0306 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 T0306 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS4 # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # ReadConformPDB reading from PDB file servers/MIG_FROST_FLEX_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation MIG_FROST_FLEX_AL1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 78 # 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 76 # 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 29 # 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 84 # 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 21 # 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 94 # 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 94 # 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 84 # 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 94 # 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 94 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # 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_TS1.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 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 T0306 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 T0306 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 T0306 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 T0306 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 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 50 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # 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 9 # 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 43 # 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 31 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS2 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS3 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 31 # 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 31 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS5 # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # 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 # 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 93 # 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: incomplete conformation T0306 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: incomplete conformation T0306 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: incomplete conformation T0306 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: incomplete conformation T0306 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: incomplete conformation T0306 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 Skipped atom 105, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 107, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0306 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 T0306 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 T0306 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 T0306 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 T0306 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 87 # 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 T0306 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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 T0306 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 T0306 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 26 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # naming current conformation SP3_TS2 # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 50 # 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 22 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # 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 81 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 21 # 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 77 # 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 24 # 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 91 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS3 # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 88 # 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 50 # 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 T0306 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 T0306 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 T0306 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 T0306 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 T0306 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 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 T0306 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 T0306 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 92 # 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 92 # 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 93 # 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 91 # 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 87 # 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 94 # 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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 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 T0306 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 T0306 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 T0306 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 T0306 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 28 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 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 5 # 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 32 # 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 94 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 93 # 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 94 # 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 92 # 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 92 # 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 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 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 T0306 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 T0306 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 T0306 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 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 T0306 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 T0306 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 T0306 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 95 in servers/nFOLD_TS4.pdb.gz # WARNING: incomplete conformation T0306 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 T0306 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation shub_TS1 # command:Using radius: 8.0000 Using models AND alignments for constraints model score 1.5680 model score 1.2487 model score 1.8489 model score 1.8572 model score 2.0370 model score 1.8446 model score 1.8455 model score 1.3226 model score 1.2988 model score 1.2988 model score 1.3160 model score 1.3102 model score 1.2408 model score 1.3231 model score 1.1386 model score 1.1254 model score 1.2988 model score 1.7363 model score 1.1476 model score 2.2633 model score 1.1280 model score 2.1436 model score 1.1280 model score 0.9436 model score 1.1329 model score 1.0754 model score 1.3448 model score 1.3611 model score 1.4516 model score 1.3081 model score 1.3595 model score 1.1312 model score 1.2748 model score 1.3342 model score 1.3242 model score 1.2792 model score 1.5464 model score 1.5259 model score 1.6061 model score 2.2166 model score 1.8026 model score 1.0405 model score 1.3237 model score 1.2766 model score 1.2775 model score 1.2777 model score 1.2767 model score 1.2770 model score 1.2827 model score 1.4813 model score 1.3662 model score 1.4440 model score 1.2210 model score 1.6234 model score 1.5464 model score 1.3242 model score 1.3342 model score 1.7421 model score 1.1476 model score 1.8776 model score 1.5019 model score 1.3542 model score 1.8964 model score 1.2767 model score 1.2776 model score 1.2780 model score 1.2781 model score 1.2772 model score 1.2776 model score 1.2780 model score 1.2781 model score 1.2772 model score 1.2779 model score 1.4572 model score 1.5419 model score 1.5229 model score 1.1793 model score 1.3620 model score 1.2778 model score 1.2771 model score 1.2780 model score 1.2771 model score 1.2771 model score 1.3725 model score 1.7421 model score 1.4039 model score 1.5436 model score 1.5372 model score 2.0640 model score 2.3282 model score 1.4407 model score 1.9513 model score 1.7696 model score 1.2523 model score 1.2523 model score 1.2817 model score 1.1041 model score 1.6312 model score 1.0804 model score 1.0814 model score 1.3915 model score 1.4433 model score 1.0410 model score 1.0697 model score 1.0260 model score 1.0747 model score 1.2771 model score 1.2784 model score 1.2292 model score 1.3916 model score 1.3380 model score 1.4005 model score 1.3881 model score 0.8705 model score 0.7875 model score 0.9465 model score 1.0444 model score 1.0587 model score 1.6589 model score 1.5349 model score 1.9546 model score 1.0378 model score 0.9656 model score 1.0055 model score 0.9599 model score 1.1214 model score 1.6957 model score 1.0630 model score 1.6495 model score 1.6621 model score 1.6724 model score 1.6782 model score 1.6875 model score 1.3807 model score 1.3807 model score 1.5042 model score 1.9167 model score 1.6455 model score 1.9719 model score 1.5790 model score 1.9097 model score 0.9475 model score 1.5425 model score 1.5425 model score 1.4417 model score 1.4417 model score 1.3019 model score 1.3230 model score 1.3995 model score 1.2075 model score 1.4825 model score 1.1399 model score 1.2836 model score 1.3805 model score 1.1846 model score 1.3789 model score 1.1158 model score 1.2715 model score 1.3596 model score 1.1660 model score 1.3575 model score 0.8502 model score 1.3580 model score 1.1568 model score 1.0011 model score 1.2272 model score 1.2781 model score 1.2781 model score 1.2781 model score 1.2779 model score 1.2779 model score 1.2758 model score 1.2771 model score 1.2771 model score 1.2780 model score 1.2772 model score 1.6779 model score 1.0141 model score 2.2919 model score 1.0458 model score 0.7520 model score 1.6122 model score 1.5117 model score 1.3019 model score 1.3407 model score 1.3230 model score 1.6487 model score 1.2177 model score 1.1214 model score 1.0254 model score 1.3818 model score 1.5322 model score 1.5130 model score 1.8073 model score 1.3579 model score 1.3019 model score 1.2782 model score 1.2777 model score 1.2777 model score 1.2782 model score 1.2782 model score 1.0108 model score 1.2775 model score 1.2775 model score 1.2771 model score 1.2771 model score 1.2781 model score 1.0606 model score 0.8970 model score 0.7779 model score 1.1082 model score 1.9151 model score 0.9634 model score 0.9944 model score 1.2771 model score 1.2778 model score 1.2771 model score 1.2781 model score 1.2771 model score 1.3558 model score 1.3817 model score 1.5322 model score 1.3595 model score 1.2589 model score 1.3689 model score 2.1997 model score 2.0188 model score 2.0341 model score 2.0005 model score 1.7125 model score 1.3077 model score 1.3548 model score 1.4977 model score 1.6107 model score 1.3059 model score 1.2814 model score 1.2852 model score 1.2849 model score 1.2722 model score 1.7561 model score 1.6589 model score 2.1650 model score 2.1747 model score 1.2735 model score 2.0293 model score 1.3575 model score 1.5832 USE_META, weight: 0.5340 cost: 1.5680 min: 0.7520 max: 2.3282 USE_META, weight: 0.7164 cost: 1.2487 min: 0.7520 max: 2.3282 USE_META, weight: 0.3737 cost: 1.8489 min: 0.7520 max: 2.3282 USE_META, weight: 0.3689 cost: 1.8572 min: 0.7520 max: 2.3282 USE_META, weight: 0.2663 cost: 2.0370 min: 0.7520 max: 2.3282 USE_META, weight: 0.3761 cost: 1.8446 min: 0.7520 max: 2.3282 USE_META, weight: 0.3756 cost: 1.8455 min: 0.7520 max: 2.3282 USE_META, weight: 0.6742 cost: 1.3226 min: 0.7520 max: 2.3282 USE_META, weight: 0.6878 cost: 1.2988 min: 0.7520 max: 2.3282 USE_META, weight: 0.6878 cost: 1.2988 min: 0.7520 max: 2.3282 USE_META, weight: 0.6780 cost: 1.3160 min: 0.7520 max: 2.3282 USE_META, weight: 0.6813 cost: 1.3102 min: 0.7520 max: 2.3282 USE_META, weight: 0.7209 cost: 1.2408 min: 0.7520 max: 2.3282 USE_META, weight: 0.6739 cost: 1.3231 min: 0.7520 max: 2.3282 USE_META, weight: 0.7793 cost: 1.1386 min: 0.7520 max: 2.3282 USE_META, weight: 0.7868 cost: 1.1254 min: 0.7520 max: 2.3282 USE_META, weight: 0.6878 cost: 1.2988 min: 0.7520 max: 2.3282 USE_META, weight: 0.4380 cost: 1.7363 min: 0.7520 max: 2.3282 USE_META, weight: 0.7741 cost: 1.1476 min: 0.7520 max: 2.3282 USE_META, weight: 0.1371 cost: 2.2633 min: 0.7520 max: 2.3282 USE_META, weight: 0.7853 cost: 1.1280 min: 0.7520 max: 2.3282 USE_META, weight: 0.2054 cost: 2.1436 min: 0.7520 max: 2.3282 USE_META, weight: 0.7853 cost: 1.1280 min: 0.7520 max: 2.3282 USE_META, weight: 0.8906 cost: 0.9436 min: 0.7520 max: 2.3282 USE_META, weight: 0.7825 cost: 1.1329 min: 0.7520 max: 2.3282 USE_META, weight: 0.8153 cost: 1.0754 min: 0.7520 max: 2.3282 USE_META, weight: 0.6615 cost: 1.3448 min: 0.7520 max: 2.3282 USE_META, weight: 0.6522 cost: 1.3611 min: 0.7520 max: 2.3282 USE_META, weight: 0.6006 cost: 1.4516 min: 0.7520 max: 2.3282 USE_META, weight: 0.6825 cost: 1.3081 min: 0.7520 max: 2.3282 USE_META, weight: 0.6531 cost: 1.3595 min: 0.7520 max: 2.3282 USE_META, weight: 0.7835 cost: 1.1312 min: 0.7520 max: 2.3282 USE_META, weight: 0.7015 cost: 1.2748 min: 0.7520 max: 2.3282 USE_META, weight: 0.6676 cost: 1.3342 min: 0.7520 max: 2.3282 USE_META, weight: 0.6733 cost: 1.3242 min: 0.7520 max: 2.3282 USE_META, weight: 0.6990 cost: 1.2792 min: 0.7520 max: 2.3282 USE_META, weight: 0.5464 cost: 1.5464 min: 0.7520 max: 2.3282 USE_META, weight: 0.5581 cost: 1.5259 min: 0.7520 max: 2.3282 USE_META, weight: 0.5123 cost: 1.6061 min: 0.7520 max: 2.3282 USE_META, weight: 0.1637 cost: 2.2166 min: 0.7520 max: 2.3282 USE_META, weight: 0.4001 cost: 1.8026 min: 0.7520 max: 2.3282 USE_META, weight: 0.8353 cost: 1.0405 min: 0.7520 max: 2.3282 USE_META, weight: 0.6736 cost: 1.3237 min: 0.7520 max: 2.3282 USE_META, weight: 0.7005 cost: 1.2766 min: 0.7520 max: 2.3282 USE_META, weight: 0.7000 cost: 1.2775 min: 0.7520 max: 2.3282 USE_META, weight: 0.6998 cost: 1.2777 min: 0.7520 max: 2.3282 USE_META, weight: 0.7004 cost: 1.2767 min: 0.7520 max: 2.3282 USE_META, weight: 0.7002 cost: 1.2770 min: 0.7520 max: 2.3282 USE_META, weight: 0.6970 cost: 1.2827 min: 0.7520 max: 2.3282 USE_META, weight: 0.5836 cost: 1.4813 min: 0.7520 max: 2.3282 USE_META, weight: 0.6493 cost: 1.3662 min: 0.7520 max: 2.3282 USE_META, weight: 0.6049 cost: 1.4440 min: 0.7520 max: 2.3282 USE_META, weight: 0.7322 cost: 1.2210 min: 0.7520 max: 2.3282 USE_META, weight: 0.5024 cost: 1.6234 min: 0.7520 max: 2.3282 USE_META, weight: 0.5464 cost: 1.5464 min: 0.7520 max: 2.3282 USE_META, weight: 0.6733 cost: 1.3242 min: 0.7520 max: 2.3282 USE_META, weight: 0.6676 cost: 1.3342 min: 0.7520 max: 2.3282 USE_META, weight: 0.4346 cost: 1.7421 min: 0.7520 max: 2.3282 USE_META, weight: 0.7741 cost: 1.1476 min: 0.7520 max: 2.3282 USE_META, weight: 0.3573 cost: 1.8776 min: 0.7520 max: 2.3282 USE_META, weight: 0.5718 cost: 1.5019 min: 0.7520 max: 2.3282 USE_META, weight: 0.6562 cost: 1.3542 min: 0.7520 max: 2.3282 USE_META, weight: 0.3465 cost: 1.8964 min: 0.7520 max: 2.3282 USE_META, weight: 0.7004 cost: 1.2767 min: 0.7520 max: 2.3282 USE_META, weight: 0.6999 cost: 1.2776 min: 0.7520 max: 2.3282 USE_META, weight: 0.6997 cost: 1.2780 min: 0.7520 max: 2.3282 USE_META, weight: 0.6996 cost: 1.2781 min: 0.7520 max: 2.3282 USE_META, weight: 0.7001 cost: 1.2772 min: 0.7520 max: 2.3282 USE_META, weight: 0.6999 cost: 1.2776 min: 0.7520 max: 2.3282 USE_META, weight: 0.6997 cost: 1.2780 min: 0.7520 max: 2.3282 USE_META, weight: 0.6996 cost: 1.2781 min: 0.7520 max: 2.3282 USE_META, weight: 0.7001 cost: 1.2772 min: 0.7520 max: 2.3282 USE_META, weight: 0.6997 cost: 1.2779 min: 0.7520 max: 2.3282 USE_META, weight: 0.5974 cost: 1.4572 min: 0.7520 max: 2.3282 USE_META, weight: 0.5490 cost: 1.5419 min: 0.7520 max: 2.3282 USE_META, weight: 0.5598 cost: 1.5229 min: 0.7520 max: 2.3282 USE_META, weight: 0.7560 cost: 1.1793 min: 0.7520 max: 2.3282 USE_META, weight: 0.6517 cost: 1.3620 min: 0.7520 max: 2.3282 USE_META, weight: 0.6998 cost: 1.2778 min: 0.7520 max: 2.3282 USE_META, weight: 0.7002 cost: 1.2771 min: 0.7520 max: 2.3282 USE_META, weight: 0.6997 cost: 1.2780 min: 0.7520 max: 2.3282 USE_META, weight: 0.7002 cost: 1.2771 min: 0.7520 max: 2.3282 USE_META, weight: 0.7002 cost: 1.2771 min: 0.7520 max: 2.3282 USE_META, weight: 0.6457 cost: 1.3725 min: 0.7520 max: 2.3282 USE_META, weight: 0.4346 cost: 1.7421 min: 0.7520 max: 2.3282 USE_META, weight: 0.6277 cost: 1.4039 min: 0.7520 max: 2.3282 USE_META, weight: 0.5480 cost: 1.5436 min: 0.7520 max: 2.3282 USE_META, weight: 0.5517 cost: 1.5372 min: 0.7520 max: 2.3282 USE_META, weight: 0.2509 cost: 2.0640 min: 0.7520 max: 2.3282 USE_META, weight: 0.1000 cost: 2.3282 min: 0.7520 max: 2.3282 USE_META, weight: 0.6067 cost: 1.4407 min: 0.7520 max: 2.3282 USE_META, weight: 0.3152 cost: 1.9513 min: 0.7520 max: 2.3282 USE_META, weight: 0.4189 cost: 1.7696 min: 0.7520 max: 2.3282 USE_META, weight: 0.7143 cost: 1.2523 min: 0.7520 max: 2.3282 USE_META, weight: 0.7143 cost: 1.2523 min: 0.7520 max: 2.3282 USE_META, weight: 0.6975 cost: 1.2817 min: 0.7520 max: 2.3282 USE_META, weight: 0.7990 cost: 1.1041 min: 0.7520 max: 2.3282 USE_META, weight: 0.4980 cost: 1.6312 min: 0.7520 max: 2.3282 USE_META, weight: 0.8125 cost: 1.0804 min: 0.7520 max: 2.3282 USE_META, weight: 0.8119 cost: 1.0814 min: 0.7520 max: 2.3282 USE_META, weight: 0.6349 cost: 1.3915 min: 0.7520 max: 2.3282 USE_META, weight: 0.6053 cost: 1.4433 min: 0.7520 max: 2.3282 USE_META, weight: 0.8350 cost: 1.0410 min: 0.7520 max: 2.3282 USE_META, weight: 0.8186 cost: 1.0697 min: 0.7520 max: 2.3282 USE_META, weight: 0.8436 cost: 1.0260 min: 0.7520 max: 2.3282 USE_META, weight: 0.8158 cost: 1.0747 min: 0.7520 max: 2.3282 USE_META, weight: 0.7002 cost: 1.2771 min: 0.7520 max: 2.3282 USE_META, weight: 0.6995 cost: 1.2784 min: 0.7520 max: 2.3282 USE_META, weight: 0.7275 cost: 1.2292 min: 0.7520 max: 2.3282 USE_META, weight: 0.6348 cost: 1.3916 min: 0.7520 max: 2.3282 USE_META, weight: 0.6654 cost: 1.3380 min: 0.7520 max: 2.3282 USE_META, weight: 0.6297 cost: 1.4005 min: 0.7520 max: 2.3282 USE_META, weight: 0.6368 cost: 1.3881 min: 0.7520 max: 2.3282 USE_META, weight: 0.9323 cost: 0.8705 min: 0.7520 max: 2.3282 USE_META, weight: 0.9797 cost: 0.7875 min: 0.7520 max: 2.3282 USE_META, weight: 0.8890 cost: 0.9465 min: 0.7520 max: 2.3282 USE_META, weight: 0.8331 cost: 1.0444 min: 0.7520 max: 2.3282 USE_META, weight: 0.8249 cost: 1.0587 min: 0.7520 max: 2.3282 USE_META, weight: 0.4822 cost: 1.6589 min: 0.7520 max: 2.3282 USE_META, weight: 0.5529 cost: 1.5349 min: 0.7520 max: 2.3282 USE_META, weight: 0.3133 cost: 1.9546 min: 0.7520 max: 2.3282 USE_META, weight: 0.8368 cost: 1.0378 min: 0.7520 max: 2.3282 USE_META, weight: 0.8781 cost: 0.9656 min: 0.7520 max: 2.3282 USE_META, weight: 0.8553 cost: 1.0055 min: 0.7520 max: 2.3282 USE_META, weight: 0.8813 cost: 0.9599 min: 0.7520 max: 2.3282 USE_META, weight: 0.7891 cost: 1.1214 min: 0.7520 max: 2.3282 USE_META, weight: 0.4612 cost: 1.6957 min: 0.7520 max: 2.3282 USE_META, weight: 0.8225 cost: 1.0630 min: 0.7520 max: 2.3282 USE_META, weight: 0.4875 cost: 1.6495 min: 0.7520 max: 2.3282 USE_META, weight: 0.4803 cost: 1.6621 min: 0.7520 max: 2.3282 USE_META, weight: 0.4744 cost: 1.6724 min: 0.7520 max: 2.3282 USE_META, weight: 0.4711 cost: 1.6782 min: 0.7520 max: 2.3282 USE_META, weight: 0.4658 cost: 1.6875 min: 0.7520 max: 2.3282 USE_META, weight: 0.6410 cost: 1.3807 min: 0.7520 max: 2.3282 USE_META, weight: 0.6410 cost: 1.3807 min: 0.7520 max: 2.3282 USE_META, weight: 0.5705 cost: 1.5042 min: 0.7520 max: 2.3282 USE_META, weight: 0.3349 cost: 1.9167 min: 0.7520 max: 2.3282 USE_META, weight: 0.4898 cost: 1.6455 min: 0.7520 max: 2.3282 USE_META, weight: 0.3035 cost: 1.9719 min: 0.7520 max: 2.3282 USE_META, weight: 0.5278 cost: 1.5790 min: 0.7520 max: 2.3282 USE_META, weight: 0.3390 cost: 1.9097 min: 0.7520 max: 2.3282 USE_META, weight: 0.8884 cost: 0.9475 min: 0.7520 max: 2.3282 USE_META, weight: 0.5486 cost: 1.5425 min: 0.7520 max: 2.3282 USE_META, weight: 0.5486 cost: 1.5425 min: 0.7520 max: 2.3282 USE_META, weight: 0.6062 cost: 1.4417 min: 0.7520 max: 2.3282 USE_META, weight: 0.6062 cost: 1.4417 min: 0.7520 max: 2.3282 USE_META, weight: 0.6860 cost: 1.3019 min: 0.7520 max: 2.3282 USE_META, weight: 0.6740 cost: 1.3230 min: 0.7520 max: 2.3282 USE_META, weight: 0.6303 cost: 1.3995 min: 0.7520 max: 2.3282 USE_META, weight: 0.7399 cost: 1.2075 min: 0.7520 max: 2.3282 USE_META, weight: 0.5829 cost: 1.4825 min: 0.7520 max: 2.3282 USE_META, weight: 0.7785 cost: 1.1399 min: 0.7520 max: 2.3282 USE_META, weight: 0.6965 cost: 1.2836 min: 0.7520 max: 2.3282 USE_META, weight: 0.6411 cost: 1.3805 min: 0.7520 max: 2.3282 USE_META, weight: 0.7530 cost: 1.1846 min: 0.7520 max: 2.3282 USE_META, weight: 0.6421 cost: 1.3789 min: 0.7520 max: 2.3282 USE_META, weight: 0.7923 cost: 1.1158 min: 0.7520 max: 2.3282 USE_META, weight: 0.7034 cost: 1.2715 min: 0.7520 max: 2.3282 USE_META, weight: 0.6531 cost: 1.3596 min: 0.7520 max: 2.3282 USE_META, weight: 0.7636 cost: 1.1660 min: 0.7520 max: 2.3282 USE_META, weight: 0.6542 cost: 1.3575 min: 0.7520 max: 2.3282 USE_META, weight: 0.9440 cost: 0.8502 min: 0.7520 max: 2.3282 USE_META, weight: 0.6540 cost: 1.3580 min: 0.7520 max: 2.3282 USE_META, weight: 0.7689 cost: 1.1568 min: 0.7520 max: 2.3282 USE_META, weight: 0.8578 cost: 1.0011 min: 0.7520 max: 2.3282 USE_META, weight: 0.7287 cost: 1.2272 min: 0.7520 max: 2.3282 USE_META, weight: 0.6996 cost: 1.2781 min: 0.7520 max: 2.3282 USE_META, weight: 0.6996 cost: 1.2781 min: 0.7520 max: 2.3282 USE_META, weight: 0.6996 cost: 1.2781 min: 0.7520 max: 2.3282 USE_META, weight: 0.6997 cost: 1.2779 min: 0.7520 max: 2.3282 USE_META, weight: 0.6997 cost: 1.2779 min: 0.7520 max: 2.3282 USE_META, weight: 0.7009 cost: 1.2758 min: 0.7520 max: 2.3282 USE_META, weight: 0.7002 cost: 1.2771 min: 0.7520 max: 2.3282 USE_META, weight: 0.7002 cost: 1.2771 min: 0.7520 max: 2.3282 USE_META, weight: 0.6997 cost: 1.2780 min: 0.7520 max: 2.3282 USE_META, weight: 0.7001 cost: 1.2772 min: 0.7520 max: 2.3282 USE_META, weight: 0.4713 cost: 1.6779 min: 0.7520 max: 2.3282 USE_META, weight: 0.8504 cost: 1.0141 min: 0.7520 max: 2.3282 USE_META, weight: 0.1207 cost: 2.2919 min: 0.7520 max: 2.3282 USE_META, weight: 0.8323 cost: 1.0458 min: 0.7520 max: 2.3282 USE_META, weight: 1.0000 cost: 0.7520 min: 0.7520 max: 2.3282 USE_META, weight: 0.5088 cost: 1.6122 min: 0.7520 max: 2.3282 USE_META, weight: 0.5662 cost: 1.5117 min: 0.7520 max: 2.3282 USE_META, weight: 0.6860 cost: 1.3019 min: 0.7520 max: 2.3282 USE_META, weight: 0.6639 cost: 1.3407 min: 0.7520 max: 2.3282 USE_META, weight: 0.6740 cost: 1.3230 min: 0.7520 max: 2.3282 USE_META, weight: 0.4880 cost: 1.6487 min: 0.7520 max: 2.3282 USE_META, weight: 0.7341 cost: 1.2177 min: 0.7520 max: 2.3282 USE_META, weight: 0.7891 cost: 1.1214 min: 0.7520 max: 2.3282 USE_META, weight: 0.8439 cost: 1.0254 min: 0.7520 max: 2.3282 USE_META, weight: 0.6404 cost: 1.3818 min: 0.7520 max: 2.3282 USE_META, weight: 0.5545 cost: 1.5322 min: 0.7520 max: 2.3282 USE_META, weight: 0.5655 cost: 1.5130 min: 0.7520 max: 2.3282 USE_META, weight: 0.3974 cost: 1.8073 min: 0.7520 max: 2.3282 USE_META, weight: 0.6541 cost: 1.3579 min: 0.7520 max: 2.3282 USE_META, weight: 0.6860 cost: 1.3019 min: 0.7520 max: 2.3282 USE_META, weight: 0.6995 cost: 1.2782 min: 0.7520 max: 2.3282 USE_META, weight: 0.6998 cost: 1.2777 min: 0.7520 max: 2.3282 USE_META, weight: 0.6998 cost: 1.2777 min: 0.7520 max: 2.3282 USE_META, weight: 0.6995 cost: 1.2782 min: 0.7520 max: 2.3282 USE_META, weight: 0.6996 cost: 1.2782 min: 0.7520 max: 2.3282 USE_META, weight: 0.8523 cost: 1.0108 min: 0.7520 max: 2.3282 USE_META, weight: 0.7000 cost: 1.2775 min: 0.7520 max: 2.3282 USE_META, weight: 0.6999 cost: 1.2775 min: 0.7520 max: 2.3282 USE_META, weight: 0.7002 cost: 1.2771 min: 0.7520 max: 2.3282 USE_META, weight: 0.7002 cost: 1.2771 min: 0.7520 max: 2.3282 USE_META, weight: 0.6996 cost: 1.2781 min: 0.7520 max: 2.3282 USE_META, weight: 0.8238 cost: 1.0606 min: 0.7520 max: 2.3282 USE_META, weight: 0.9172 cost: 0.8970 min: 0.7520 max: 2.3282 USE_META, weight: 0.9852 cost: 0.7779 min: 0.7520 max: 2.3282 USE_META, weight: 0.7967 cost: 1.1082 min: 0.7520 max: 2.3282 USE_META, weight: 0.3359 cost: 1.9151 min: 0.7520 max: 2.3282 USE_META, weight: 0.8793 cost: 0.9634 min: 0.7520 max: 2.3282 USE_META, weight: 0.8616 cost: 0.9944 min: 0.7520 max: 2.3282 USE_META, weight: 0.7002 cost: 1.2771 min: 0.7520 max: 2.3282 USE_META, weight: 0.6998 cost: 1.2778 min: 0.7520 max: 2.3282 USE_META, weight: 0.7002 cost: 1.2771 min: 0.7520 max: 2.3282 USE_META, weight: 0.6996 cost: 1.2781 min: 0.7520 max: 2.3282 USE_META, weight: 0.7002 cost: 1.2771 min: 0.7520 max: 2.3282 USE_META, weight: 0.6553 cost: 1.3558 min: 0.7520 max: 2.3282 USE_META, weight: 0.6405 cost: 1.3817 min: 0.7520 max: 2.3282 USE_META, weight: 0.5545 cost: 1.5322 min: 0.7520 max: 2.3282 USE_META, weight: 0.6531 cost: 1.3595 min: 0.7520 max: 2.3282 USE_META, weight: 0.7106 cost: 1.2589 min: 0.7520 max: 2.3282 USE_META, weight: 0.6478 cost: 1.3689 min: 0.7520 max: 2.3282 USE_META, weight: 0.1733 cost: 2.1997 min: 0.7520 max: 2.3282 USE_META, weight: 0.2767 cost: 2.0188 min: 0.7520 max: 2.3282 USE_META, weight: 0.2680 cost: 2.0341 min: 0.7520 max: 2.3282 USE_META, weight: 0.2871 cost: 2.0005 min: 0.7520 max: 2.3282 USE_META, weight: 0.4515 cost: 1.7125 min: 0.7520 max: 2.3282 USE_META, weight: 0.6827 cost: 1.3077 min: 0.7520 max: 2.3282 USE_META, weight: 0.6558 cost: 1.3548 min: 0.7520 max: 2.3282 USE_META, weight: 0.5742 cost: 1.4977 min: 0.7520 max: 2.3282 USE_META, weight: 0.5097 cost: 1.6107 min: 0.7520 max: 2.3282 USE_META, weight: 0.6837 cost: 1.3059 min: 0.7520 max: 2.3282 USE_META, weight: 0.6977 cost: 1.2814 min: 0.7520 max: 2.3282 USE_META, weight: 0.6955 cost: 1.2852 min: 0.7520 max: 2.3282 USE_META, weight: 0.6957 cost: 1.2849 min: 0.7520 max: 2.3282 USE_META, weight: 0.7030 cost: 1.2722 min: 0.7520 max: 2.3282 USE_META, weight: 0.4266 cost: 1.7561 min: 0.7520 max: 2.3282 USE_META, weight: 0.4822 cost: 1.6589 min: 0.7520 max: 2.3282 USE_META, weight: 0.1932 cost: 2.1650 min: 0.7520 max: 2.3282 USE_META, weight: 0.1877 cost: 2.1747 min: 0.7520 max: 2.3282 USE_META, weight: 0.7022 cost: 1.2735 min: 0.7520 max: 2.3282 USE_META, weight: 0.2707 cost: 2.0293 min: 0.7520 max: 2.3282 USE_META, weight: 0.6543 cost: 1.3575 min: 0.7520 max: 2.3282 USE_META, weight: 0.5254 cost: 1.5832 min: 0.7520 max: 2.3282 USE_EVALUE, weight: 0.7406 eval: 19.8000 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.7406 eval: 19.8000 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.7406 eval: 19.8000 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.6260 eval: 27.9790 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.6260 eval: 27.9790 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.6260 eval: 27.9790 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 1.0000 eval: 1.2985 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 1.0000 eval: 1.2985 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 1.0000 eval: 1.2985 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.3440 eval: 48.0940 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.3440 eval: 48.0940 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.3440 eval: 48.0940 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.9548 eval: 4.5233 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.9548 eval: 4.5233 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.9548 eval: 4.5233 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.5427 eval: 33.9200 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.5427 eval: 33.9200 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.5427 eval: 33.9200 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.6400 eval: 26.9760 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.6400 eval: 26.9760 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.6400 eval: 26.9760 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.4911 eval: 37.6010 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.4911 eval: 37.6010 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.4911 eval: 37.6010 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.7869 eval: 16.5030 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.7869 eval: 16.5030 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.7869 eval: 16.5030 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.3036 eval: 50.9750 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.3882 eval: 44.9400 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.3882 eval: 44.9400 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.3882 eval: 44.9400 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.1000 eval: 65.5000 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.1000 eval: 65.5000 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.1000 eval: 65.5000 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.4595 eval: 39.8530 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.4595 eval: 39.8530 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.4595 eval: 39.8530 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.4749 eval: 38.7550 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.4749 eval: 38.7550 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.4749 eval: 38.7550 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.3970 eval: 44.3100 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.3970 eval: 44.3100 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.3970 eval: 44.3100 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.4357 eval: 41.5540 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.4357 eval: 41.5540 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.4357 eval: 41.5540 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.9889 eval: 2.0873 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.9889 eval: 2.0873 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.9889 eval: 2.0873 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.4502 eval: 40.5200 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.4502 eval: 40.5200 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.4502 eval: 40.5200 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.8204 eval: 14.1090 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.8204 eval: 14.1090 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.8204 eval: 14.1090 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.7713 eval: 17.6110 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.7713 eval: 17.6110 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.7713 eval: 17.6110 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.9774 eval: 2.9100 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.9774 eval: 2.9100 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.9774 eval: 2.9100 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.4072 eval: 43.5870 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.4072 eval: 43.5870 min: 1.2985 max: 65.5000 USE_EVALUE, weight: 0.4072 eval: 43.5870 min: 1.2985 max: 65.5000 Number of contacts in models: 247 Number of contacts in alignments: 64 NUMB_ALIGNS: 64 Adding 3600 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: -168.6443, CN propb: -168.6443 weights: 0.2654 constraints: 533 # command:Found ConstraintSet # PrintContacts align.constraints_meta03 Number of constraints in align3.constraints 533 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta03 Number of constraints in align3.constraints.bonus 533 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta03 Number of constraints in rejected3.constraints 3067 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta03 Number of constraints in rejected3.constraints.bonus 3067 # 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 3600 # command: