A0A3Q0KR54_SCHMA Loading...

Putative collagen alpha chain

AlphaFold DB , UniProt , Accession A0A3Q0KR54, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,761 aa.

>A0A3Q0KR54_SCHMA|A0A3Q0KR54
MSILSWFLSIFFSVVIVQIAVTQQIDINDPYRCQRICTPEKCRCIGRKGIEGPFGPVGAPGEIGFIGDLGPPGNPGTKGEKGDTGQLGRQGFKGERGPQGPPGYPGQHGFDGYPGFMGAKGDKGDAGCYGDPGENGMPGDSGRPGIKGLPGFPGNKGTKGTPGWAERGTHGFPGPRGDPGPMGDYGLPGQPGPMGDAGNRGLTGLKGFKGARGFPGIKGRPAAPITIEGQKGDKGQRGPRGSDGYPCTLDIHAQIGPQGPQGPIGFKGDKGDRGSIGDFGEAGFDGPPGIAGEKGLPGRHGDRGPPGDTGFPGSQGETGKRGLDGEPGRMGELGPKGDTGPPGIDGERGPRGQKGKPGGYVHCAGPKGIKGLPGFPGLKGLSGEVGREGVPGTDGDKGDTGMKGDRGIPGRRCTDGQPGLPGPKGNMGSPGIRGPPGTAGLPGSTGLRGQPGEVIDSALPGPSGNPGAPGSFGLKGLPGDSGDPGEKGFPGAGERGPAGPRGPPGDPGLIGRPGKEGRPGIRGPKGVSVAKCLFCEDGQMGRPGDVGETGDSGLPGRPGVNGPDGELGDIGDPGRPGLPGPPGRKGMVGFPGQIGFKGDPGEAGILRIMNQQVLPGDPGNSGYPGDKGEPGDLGDPGSFGARGEFGPKGRMGLPGTPGIPGPEGDPGDRGLPGDPGLDGRSFVGETGDPGEPGYSGLPGSKGIPGAKGYCDRILPQLTKGVSGDRGFPGDPGLPGEQGSQGRSGMKGTTGLPGARGIPGDDGRPGVFGFKGERGFPGAIGRPGFAGQIGNRGLDGFRGEPGFQGPPGLKGQKGMIGEQGDPGRVSYASKGIKGLQGVPGSIGLPGTDGMPGLKGFPGRSGLRGVDGSYGPKGYPGPKGLQGPKGLPSIGRELGAIGVKGRPGIPGSFGPKGIRGMPGVCDIKGIFGSPGPMGPLGRRGQPGIPGVSGEPGDIGYGGPLGRPGQKGDRGLSGLPGRIGIRGPKGRSGWAASVGQKGNPGRIGQPGNPGPQGRPGPMGRQGLKGSPGISGRLVAGAMGEQGPMGIQGIRGEKGINGIHGKTGKPGIPGIQIKGFPGRRGLPGSSGPPGDSGRPGLEGSRGAKGDRGFLGRMGPKGDIGPPGFPGKDGIPGGSGNKGRSGSPGFRGDDGAKGERGLAGDPGPEPQMLDGRQGRKGFTGIPGSYGLSGLIGDKGFSGAPGLPGDDGLPGPMGIPGNPGFKGLPGDPGLPSRFGKPGEVGDRGELGRPGFQGPFGQKGNFGEKGDQGLTPSCPIGQPGRRGQPGNTGLPGSDGEKGNRGLPGQRGLKGVRGLTPEPLPGPKGDMGPVGLDGLQGSFGDPGFPGPSGVKGQPGPAGDPGFRGTQGEPGDRGFPGTPGQDGAPGRDGFRGNPGRPGNDGLPGMRGTRGLPGNPGFPGIKGVMGSQGPPGIPGQMGAKGLPGRSDRPQKGIRGDPGSPGATGEPGLPGLSGQRGKQGDPGEKGIKGLPNPIPGARGRTGDRGPRGDPGFRGMKGFIGEKGIRGPPGRNGTIGLDDSGFLFTVHSQDSQPPSCPIYTTPIYTGYSLVTLQGNDDSTTMDLGTPGSCLRKFSIMPFANCFAKVNGHCQVNMRNGRSYWLSTLEQYMLSPARVENIKPYISRCIVCQSRTWLVAFHSQRDDIGQMCPPGWENAWNGFSFPMAIGSSSNGGVQPLESPGSCLQHFRALPFIECNNHDGNCFHWQDGRSYWMSSIRQNEQFIKPIGTTYNTETGILQHVSRCSVCRRAMESLLR
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.3Very low68.2Low153 Ų15394.7 Ų94.775%0.75449%0.488SS*.  021.10-58.9-43.7-17200114.6P636 G637 F639M1-P636 CarbonylContact O-C 3.5Å; M1-G637 PolarHBondContact O-N 3.3Å; M1-F639 HydrophobicContact CE-CB 4.06Å; M1-F639 HydrophobicContact CE-CD2 3.54Å; M1-F639 HydrophobicContact CE-CE2 4.24Å; M1-F639 HydrophobicContact CE-CG 4.04Å; M1-F639 HydrophobicContact SD-CD2 4.23Å
2S56.5Low68.5Low93 Ų9397.8 Ų97.865%0.6550%0.495SS*.  trans-106.18.2160.5-155.60000114.1D635 P636S2-D635 CarbonylContact O-C 3.58Å; S2-D635 VanDerWaalsContact O-C 3.24Å; S2-P636 VanDerWaalsContact C-CB 3.48Å; S2-P636 CarbonylContact C-O 3.54Å; S2-P636 VanDerWaalsContact CA-C 3.48Å; S2-P636 WeakPolarHBondContact CA-O 3.31Å; S2-P636 CarbonylContact O-C 3.44Å; S2-P636 WeakPolarHBondContact O-CA 3.35Å; S2-P636 WeakPolarHBondContact O-CD 3.09Å; S2-P636 VanDerWaalsContact O-O 3.09Å
3I66.5Low68.6Low123 Ų12394.9 Ų94.963%0.63149%0.49SS*.SBendtrans-86.898.2149.9-42.5154.9000125.5P636I3-P636 HydrophobicContact CB-CB 3.37Å; I3-P636 HydrophobicContact CB-CG 2.68Å; I3-P636 HydrophobicContact CD1-CG 3.98Å; I3-P636 HydrophobicContact CG1-CB 4.46Å; I3-P636 HydrophobicContact CG1-CG 3.04Å; I3-P636 HydrophobicContact CG2-CG 4.24Å; I3-P636 PolarHBondContact N-O 3.14Å; I3-P636 VanDerWaalsContact O-CA 3.31Å; I3-P636 WeakPolarHBondContact O-CA 3.31Å; I3-P636 WeakPolarHBondContact O-CB 2.78Å
4L66.6Low68.7Low105 Ų10593.1 Ų93.155%0.5549%0.485SS..SBendtrans70.952.6-153.6-8467.5000119.5L8 D635 G637 S638L4-L8 HydrophobicContact CB-CD1 4.43Å; L4-D635 VanDerWaalsContact CA-OD1 3.25Å; L4-D635 WeakPolarHBondContact CA-OD1 3.44Å; L4-D635 VanDerWaalsContact N-CG 3.31Å; L4-D635 PolarHBondContact N-OD1 2.88Å; L4-G637 VanDerWaalsContact C-CA 3.46Å; L4-G637 CarbonylContact O-C 3.47Å; L4-G637 WeakPolarHBondContact O-CA 3.42Å; L4-S638 WeakPolarHBondContact O-CB 3.32Å; L4-S638 PolarHBondContact O-N 2.84Å; L4-S638 PolarHBondContact O-OG 3.22Å
5S65.5Low68.7Low53 Ų5390.7 Ų90.737%0.37148%0.475SS..BIsolated β-bridgetrans-153.4-31153.5-155.80000118.1L8 S9 D635 P636S5-L8 VanDerWaalsContact CA-CB 3.48Å; S5-L8 CarbonylContact O-C 3.41Å; S5-L8 WeakPolarHBondContact O-CB 3.05Å; S5-S9 PolarHBondContact O-N 2.9Å; S5-D635 WeakPolarHBondContact CA-OD2 3.06Å; S5-D635 VanDerWaalsContact N-CG 3.34Å; S5-D635 PolarHBondContact N-OD2 3.34Å; S5-P636 VanDerWaalsContact CB-C 3.49Å; S5-P636 WeakPolarHBondContact CB-O 3.42Å; S5-P636 PolarHBondContact N-O 2.73Å
6W69.9Low68.5Low113 Ų11391.3 Ų91.343%0.42848%0.478SS..SBendtrans-88.6-41.9173.1-159.186000118.4L8 S9 I10 D632 D635 P636W6-L8 PolarHBondContact O-N 2.73Å; W6-S9 CarbonylContact O-C 3.56Å; W6-S9 VanDerWaalsContact O-CA 3.23Å; W6-S9 WeakPolarHBondContact O-CA 2.88Å; W6-S9 WeakPolarHBondContact O-CB 2.96Å; W6-S9 PolarHBondContact O-N 2.79Å; W6-I10 HydrophobicContact CE3-CD1 4.06Å; W6-I10 HydrophobicContact CH2-CD1 3.94Å; W6-I10 HydrophobicContact CZ3-CD1 3.45Å; W6-I10 VanDerWaalsContact CZ3-CD1 3.45Å; W6-I10 HydrophobicContact CZ3-CG1 4.34Å; W6-I10 PolarHBondContact O-N 2.64Å; W6-D632 HydrophobicContact CH2-CB 4.32Å; W6-D632 HydrophobicContact CZ3-CB 4.03Å; W6-D635 VanDerWaalsContact C-OD2 3.3Å; W6-D635 WeakPolarHBondContact CA-OD2 3.19Å; W6-D635 PolarHBondContact N-OD2 3.44Å; W6-P636 PolarHBondContact N-O 2.88Å
7F78.5Confident68Low103 Ų10390.9 Ų90.945%0.45248%0.48SS..Hα-helixtrans-64.1-16.2157.5-65.6-42.6000110.6I10 F11 G634 D635F7-I10 HydrophobicContact CD1-CD1 3.65Å; F7-I10 HydrophobicContact CE1-CD1 4.25Å; F7-I10 CarbonylContact O-C 3.22Å; F7-I10 WeakPolarHBondContact O-CA 3.19Å; F7-I10 WeakPolarHBondContact O-CB 3.35Å; F7-I10 PolarHBondContact O-N 2.97Å; F7-F11 PolarHBondContact O-N 2.83Å; F7-G634 VanDerWaalsContact CZ-CA 3.42Å; F7-D635 VanDerWaalsContact CA-CG 3.43Å; F7-D635 WeakPolarHBondContact CA-OD2 3.17Å; F7-D635 HydrophobicContact CB-CB 3.54Å; F7-D635 WeakPolarHBondContact CB-OD1 3.3Å; F7-D635 HydrophobicContact CD2-CB 3.74Å; F7-D635 HydrophobicContact CG-CB 3.86Å; F7-D635 VanDerWaalsContact N-CA 3.29Å; F7-D635 PolarHBondContact N-OD2 2.73Å
8L74.4Confident67.3Low53 Ų5392.5 Ų92.528%0.27748%0.484SS..Hα-helixtrans-76.8-28.1166.2-135.3172.8000110.9L4 S5 W6 I10 F11 F12 D635L4-L8 HydrophobicContact CB-CD1 4.43Å; S5-L8 VanDerWaalsContact CA-CB 3.48Å; S5-L8 CarbonylContact O-C 3.41Å; S5-L8 WeakPolarHBondContact O-CB 3.05Å; W6-L8 PolarHBondContact O-N 2.73Å; L8-I10 VanDerWaalsContact C-N 3.34Å; L8-F11 HydrophobicContact CD2-CB 4.35Å; L8-F11 CarbonylContact O-C 3.51Å; L8-F11 PolarHBondContact O-N 3.42Å; L8-F12 HydrophobicContact CD2-CD2 4Å; L8-F12 HydrophobicContact CD2-CE2 4.29Å; L8-F12 PolarHBondContact O-N 2.83Å; L8-D635 PolarHBondContact N-OD1 2.85Å; L8-D635 PolarHBondContact N-OD2 3.12Å
9S71.6Confident66.7Low54 Ų5492.3 Ų92.338%0.37848%0.483SS..Hα-helixtrans-68.4-31.8160.3-1620000111.3S5 W6 S13S5-S9 PolarHBondContact O-N 2.9Å; W6-S9 CarbonylContact O-C 3.56Å; W6-S9 VanDerWaalsContact O-CA 3.23Å; W6-S9 WeakPolarHBondContact O-CA 2.88Å; W6-S9 WeakPolarHBondContact O-CB 2.96Å; W6-S9 PolarHBondContact O-N 2.79Å; S9-S13 VanDerWaalsContact O-CB 3.27Å; S9-S13 WeakPolarHBondContact O-CB 3.38Å; S9-S13 PolarHBondContact O-N 3.32Å; S9-S13 PolarHBondContact O-OG 3.48Å
10I74.8Confident66Low46 Ų4690.6 Ų90.624%0.23648%0.483CS..Hα-helixtrans-70.4-33.9165.4-75158.2000111.4W6 F7 L8 S13 V14 D632W6-I10 HydrophobicContact CE3-CD1 4.06Å; W6-I10 HydrophobicContact CH2-CD1 3.94Å; W6-I10 HydrophobicContact CZ3-CD1 3.45Å; W6-I10 VanDerWaalsContact CZ3-CD1 3.45Å; W6-I10 HydrophobicContact CZ3-CG1 4.34Å; W6-I10 PolarHBondContact O-N 2.64Å; F7-I10 HydrophobicContact CD1-CD1 3.65Å; F7-I10 HydrophobicContact CE1-CD1 4.25Å; F7-I10 CarbonylContact O-C 3.22Å; F7-I10 WeakPolarHBondContact O-CA 3.19Å; F7-I10 WeakPolarHBondContact O-CB 3.35Å; F7-I10 PolarHBondContact O-N 2.97Å; L8-I10 VanDerWaalsContact C-N 3.34Å; I10-S13 CarbonylContact O-C 3.24Å; I10-S13 PolarHBondContact O-N 2.61Å; I10-V14 HydrophobicContact CG2-CG2 3.93Å; I10-V14 WeakPolarHBondContact O-CB 3.42Å; I10-V14 VanDerWaalsContact O-CG2 3.22Å; I10-V14 WeakPolarHBondContact O-CG2 3.31Å; I10-V14 PolarHBondContact O-N 3.23Å; I10-D632 HydrophobicContact CD1-CB 4.07Å
11F77.2Confident65.2Low146 Ų14691.6 Ų91.664%0.6449%0.492SS*.Hα-helixtrans-68.7-38175-134.3-84.5000110.4F7 L8 V15F7-F11 PolarHBondContact O-N 2.83Å; L8-F11 HydrophobicContact CD2-CB 4.35Å; L8-F11 CarbonylContact O-C 3.51Å; L8-F11 PolarHBondContact O-N 3.42Å; F11-V15 HydrophobicContact CD1-CG2 4.21Å; F11-V15 WeakPolarHBondContact O-CB 2.83Å; F11-V15 WeakPolarHBondContact O-CG2 3.34Å; F11-V15 PolarHBondContact O-N 2.94Å
12F72.4Confident65Low132 Ų13289.6 Ų89.658%0.57949%0.488SS*.Hα-helixtrans-68.4-38.8168.2-99.2-89.5000112.5L8 V15 I16L8-F12 HydrophobicContact CD2-CD2 4Å; L8-F12 HydrophobicContact CD2-CE2 4.29Å; L8-F12 PolarHBondContact O-N 2.83Å; F12-V15 PolarHBondContact O-N 3.12Å; F12-I16 HydrophobicContact CD1-CD1 4.4Å; F12-I16 WeakPolarHBondContact O-CB 3.18Å; F12-I16 WeakPolarHBondContact O-CD1 3.26Å; F12-I16 WeakPolarHBondContact O-CG1 3.07Å; F12-I16 PolarHBondContact O-N 3.29Å
13S69.6Low64.1Low60 Ų6092.5 Ų92.542%0.4249%0.492SS..Hα-helixtrans-69.4-36.6176-68.10000112.2S9 I10 V17S9-S13 VanDerWaalsContact O-CB 3.27Å; S9-S13 WeakPolarHBondContact O-CB 3.38Å; S9-S13 PolarHBondContact O-N 3.32Å; S9-S13 PolarHBondContact O-OG 3.48Å; I10-S13 CarbonylContact O-C 3.24Å; I10-S13 PolarHBondContact O-N 2.61Å; S13-V17 WeakPolarHBondContact O-CB 3.36Å; S13-V17 WeakPolarHBondContact O-CG2 3.35Å; S13-V17 PolarHBondContact O-N 3.03Å
14V69.4Low62.8Low69 Ų6994.6 Ų94.642%0.41850%0.499SS..Hα-helixtrans-74.4-36.3174.8170.30000110.4I10 Q18I10-V14 HydrophobicContact CG2-CG2 3.93Å; I10-V14 WeakPolarHBondContact O-CB 3.42Å; I10-V14 VanDerWaalsContact O-CG2 3.22Å; I10-V14 WeakPolarHBondContact O-CG2 3.31Å; I10-V14 PolarHBondContact O-N 3.23Å; V14-Q18 HydrophobicContact CG1-CG 4.49Å; V14-Q18 VanDerWaalsContact O-CB 3.24Å; V14-Q18 WeakPolarHBondContact O-CB 3.25Å; V14-Q18 VanDerWaalsContact O-CG 3.23Å; V14-Q18 WeakPolarHBondContact O-CG 3.46Å; V14-Q18 PolarHBondContact O-N 3.05Å
15V69.1Low61.4Low57 Ų5796.4 Ų96.435%0.34551%0.508SS..Hα-helixtrans-69.2-38.6170.4166.50000111.4F11 F12 Q18 I19F11-V15 HydrophobicContact CD1-CG2 4.21Å; F11-V15 WeakPolarHBondContact O-CB 2.83Å; F11-V15 WeakPolarHBondContact O-CG2 3.34Å; F11-V15 PolarHBondContact O-N 2.94Å; F12-V15 PolarHBondContact O-N 3.12Å; V15-Q18 CarbonylContact O-C 3.52Å; V15-Q18 PolarHBondContact O-N 3.37Å; V15-I19 HydrophobicContact CG1-CD1 3.7Å; V15-I19 HydrophobicContact CG1-CG1 4.4Å; V15-I19 VanDerWaalsContact O-CB 3.29Å; V15-I19 WeakPolarHBondContact O-CB 3.45Å; V15-I19 WeakPolarHBondContact O-CD1 3.42Å; V15-I19 WeakPolarHBondContact O-CG1 3.37Å; V15-I19 PolarHBondContact O-N 3.11Å
16I66.3Low60Low100 Ų100100.8 Ų100.851%0.51353%0.527SS..Hα-helixtrans-68.8-40.3174.3-73.4164.8000110.5F12 I19 A20F12-I16 HydrophobicContact CD1-CD1 4.4Å; F12-I16 WeakPolarHBondContact O-CB 3.18Å; F12-I16 WeakPolarHBondContact O-CD1 3.26Å; F12-I16 WeakPolarHBondContact O-CG1 3.07Å; F12-I16 PolarHBondContact O-N 3.29Å; I16-I19 CarbonylContact O-C 3.36Å; I16-I19 PolarHBondContact O-N 3.43Å; I16-A20 VanDerWaalsContact O-CB 3.29Å; I16-A20 WeakPolarHBondContact O-CB 3.49Å; I16-A20 PolarHBondContact O-N 3.12Å
17V60.1Low58.5Low86 Ų86101.8 Ų101.852%0.52154%0.539SS..Hα-helixtrans-68-36.1173166.50000110.9S13 A20 V21S13-V17 WeakPolarHBondContact O-CB 3.36Å; S13-V17 WeakPolarHBondContact O-CG2 3.35Å; S13-V17 PolarHBondContact O-N 3.03Å; V17-A20 PolarHBondContact O-N 3.45Å; V17-V21 HydrophobicContact CG1-CG2 4.1Å; V17-V21 WeakPolarHBondContact O-CB 3.39Å; V17-V21 WeakPolarHBondContact O-CG2 3.18Å; V17-V21 PolarHBondContact O-N 2.83Å
18Q54Low56.5Low119 Ų119104.1 Ų104.156%0.55656%0.557SS**Hα-helixtrans-73.1-31.2172.5-73.5-177.5-78.800112.2V14 V15 T22V14-Q18 HydrophobicContact CG1-CG 4.49Å; V14-Q18 VanDerWaalsContact O-CB 3.24Å; V14-Q18 WeakPolarHBondContact O-CB 3.25Å; V14-Q18 VanDerWaalsContact O-CG 3.23Å; V14-Q18 WeakPolarHBondContact O-CG 3.46Å; V14-Q18 PolarHBondContact O-N 3.05Å; V15-Q18 CarbonylContact O-C 3.52Å; V15-Q18 PolarHBondContact O-N 3.37Å; Q18-T22 VanDerWaalsContact O-CB 3.3Å; Q18-T22 WeakPolarHBondContact O-CB 3.42Å; Q18-T22 VanDerWaalsContact O-CG2 3.24Å; Q18-T22 WeakPolarHBondContact O-CG2 3.4Å; Q18-T22 PolarHBondContact O-N 2.76Å; Q18-T22 PolarHBondContact O-OG1 2.6Å
19I56.9Low55Low88 Ų88105.4 Ų105.445%0.45156%0.564SS.*Hα-helixtrans-69-34.1169.2-72.5165.4000111.1V15 I16 T22 Q23V15-I19 HydrophobicContact CG1-CD1 3.7Å; V15-I19 HydrophobicContact CG1-CG1 4.4Å; V15-I19 VanDerWaalsContact O-CB 3.29Å; V15-I19 WeakPolarHBondContact O-CB 3.45Å; V15-I19 WeakPolarHBondContact O-CD1 3.42Å; V15-I19 WeakPolarHBondContact O-CG1 3.37Å; V15-I19 PolarHBondContact O-N 3.11Å; I16-I19 CarbonylContact O-C 3.36Å; I16-I19 PolarHBondContact O-N 3.43Å; I19-T22 WeakPolarHBondContact CA-OG1 3.2Å; I19-T22 PolarHBondContact O-OG1 2.72Å; I19-Q23 WeakPolarHBondContact O-CG 3.12Å; I19-Q23 PolarHBondContact O-N 3.19Å
20A52Low53.6Low59 Ų59108.4 Ų108.449%0.48858%0.582SS.*Hα-helixtrans-76.1-39.1174.500000112.6I16 V17 T22 Q23I16-A20 VanDerWaalsContact O-CB 3.29Å; I16-A20 WeakPolarHBondContact O-CB 3.49Å; I16-A20 PolarHBondContact O-N 3.12Å; V17-A20 PolarHBondContact O-N 3.45Å; A20-T22 VanDerWaalsContact C-N 3.35Å; A20-Q23 WeakPolarHBondContact O-CB 3.27Å; A20-Q23 PolarHBondContact O-N 2.69Å
21V50.5Low52Low111 Ų111116.1 Ų116.167%0.67361%0.609SS**Hα-helixtrans-77.5-20.4178.11720000111.9V17 Q23V17-V21 HydrophobicContact CG1-CG2 4.1Å; V17-V21 WeakPolarHBondContact O-CB 3.39Å; V17-V21 WeakPolarHBondContact O-CG2 3.18Å; V17-V21 PolarHBondContact O-N 2.83Å; V21-Q23 VanDerWaalsContact C-N 3.32Å
22T43.1Very low50.6Low111 Ų111119.4 Ų119.468%0.68162%0.618SS**THydrogen-bonded Turntrans-86.32.3163.754.80000113.6Q18 I19 A20 Q24Q18-T22 VanDerWaalsContact O-CB 3.3Å; Q18-T22 WeakPolarHBondContact O-CB 3.42Å; Q18-T22 VanDerWaalsContact O-CG2 3.24Å; Q18-T22 WeakPolarHBondContact O-CG2 3.4Å; Q18-T22 PolarHBondContact O-N 2.76Å; Q18-T22 PolarHBondContact O-OG1 2.6Å; I19-T22 WeakPolarHBondContact CA-OG1 3.2Å; I19-T22 PolarHBondContact O-OG1 2.72Å; A20-T22 VanDerWaalsContact C-N 3.35Å; T22-Q24 VanDerWaalsContact C-N 3.33Å
23Q38Very low49.3Very low154 Ų154115.7 Ų115.772%0.7261%0.607SS**THydrogen-bonded Turntrans-92.724.6170.1-84.6-173.854.300114.3I19 A20 V21I19-Q23 WeakPolarHBondContact O-CG 3.12Å; I19-Q23 PolarHBondContact O-N 3.19Å; A20-Q23 WeakPolarHBondContact O-CB 3.27Å; A20-Q23 PolarHBondContact O-N 2.69Å; V21-Q23 VanDerWaalsContact C-N 3.32Å
24Q40Very low48.1Very low168 Ų168119.8 Ų119.879%0.78562%0.62SS**SBendtrans-137.1156.2154.1-95.5-178.515.600111.9T22T22-Q24 VanDerWaalsContact C-N 3.33Å
25I35.5Very low47.2Very low142 Ų142125.3 Ų125.373%0.72863%0.633SS**  trans70.263.9-176.2-38.1178.4000114.9I27I25-I27 HydrophobicContact CG2-CB 4.31Å; I25-I27 HydrophobicContact CG2-CD1 4.13Å; I25-I27 HydrophobicContact CG2-CG1 4.08Å
26D36.5Very low46.4Very low146 Ų146127.4 Ų127.478%0.78164%0.641SS**  trans-101.381.6134-166.9-6.4000108.8
27I38Very low45.5Very low134 Ų134126 Ų12669%0.68764%0.639SS**  trans-104.270.9175.3-56.7173.5000107.7I25I25-I27 HydrophobicContact CG2-CB 4.31Å; I25-I27 HydrophobicContact CG2-CD1 4.13Å; I25-I27 HydrophobicContact CG2-CG1 4.08Å
28N37.5Very low44.7Very low152 Ų152126.4 Ų126.481%0.81364%0.642SS**  trans-16338.3161.5-98.2-35.9000115.1P30N28-P30 WeakPolarHBondContact O-CD 3.23Å
29D42.2Very low44.5Very low80 Ų80126 Ų12643%0.42865%0.65SS.*  trans-92.7114.5166.8178.93.5000111.3Y31 R32D29-Y31 PolarHBondContact O-N 3.27Å; D29-Y31 PolarHBondContact OD1-N 2.69Å; D29-R32 HydrophobicContact CB-CB 4.37Å; D29-R32 VanDerWaalsContact OD2-CG 3.24Å; D29-R32 WeakPolarHBondContact OD2-CG 3.18Å; D29-R32 PolarHBondContact OD2-N 3.34Å; D29-R32 IonicContact OD2-NE 3.74Å
30P43Very low43.7Very low116 Ų116127.5 Ų127.575%0.75366%0.655SS**THydrogen-bonded Turntrans-69-11.7177.2-18.733.1000115.4N28N28-P30 WeakPolarHBondContact O-CD 3.23Å
31Y41Very low43.4Very low208 Ų208132.8 Ų132.882%0.81667%0.667SS**THydrogen-bonded Turntrans-116.20.4-170-69.9-80.6000114.9D29 C33D29-Y31 PolarHBondContact O-N 3.27Å; D29-Y31 PolarHBondContact OD1-N 2.69Å; Y31-C33 PolarHBondContact O-N 3.24Å
32R46.9Very low43.7Very low216 Ų216130.7 Ų130.782%0.81566%0.657SS**  trans-69.498.4172.4-108173.1-170.4-139.22.4112D29D29-R32 HydrophobicContact CB-CB 4.37Å; D29-R32 VanDerWaalsContact OD2-CG 3.24Å; D29-R32 WeakPolarHBondContact OD2-CG 3.18Å; D29-R32 PolarHBondContact OD2-N 3.34Å; D29-R32 IonicContact OD2-NE 3.74Å
33C46.5Very low44.1Very low54 Ų54135 Ų13537%0.36566%0.661SS.*  trans-57.4137.1171.3162.90000111.5Y31 R35 C44 I45Y31-C33 PolarHBondContact O-N 3.24Å; C33-R35 PolarHBondContact O-N 2.92Å; C33-R35 VanDerWaalsContact O-N 3.17Å; C33-C44 HydrophobicContact CB-CB 4.46Å; C33-C44 WeakPolarHBondContact CB-SG 3.35Å; C33-C44 PolarHBondContact O-SG 3.2Å; C33-C44 VanDerWaalsContact O-SG 3.33Å; C33-C44 VanDerWaalsContact SG-CA 3.58Å; C33-C44 WeakPolarHBondContact SG-CB 3.39Å; C33-C44 CovalentContact SG-SG 2.03Å; C33-C44 PolarHBondContact SG-SG 2.93Å; C33-I45 PolarHBondContact SG-N 3.34Å
34Q44.3Very low44.9Very low146 Ų146130.6 Ų130.668%0.68265%0.646SS**EExtended strand (participates in β ladder)trans-80.8102.9-170.5-167.8169.82.100110.5I36 I45Q34-I36 PolarHBondContact O-N 2.86Å; Q34-I45 PolarHBondContact N-O 2.99Å; Q34-I45 PolarHBondContact O-N 2.75Å
35R48.9Very low45.4Very low185 Ų185127 Ų12770%0.69863%0.631SS**EExtended strand (participates in β ladder)trans-70.5120.6170.5-72.1-175.4176.5-170.8-0.4109.9C33 C44C33-R35 PolarHBondContact O-N 2.92Å; C33-R35 VanDerWaalsContact O-N 3.17Å; R35-C44 HydrophobicContact CG-CB 4.28Å
36I52.3Low45.9Very low100 Ų100122.5 Ų122.551%0.51362%0.62SS.*EExtended strand (participates in β ladder)trans-99.4119.5158.1-59.1179.9000105.9Q34 C42 R43 I45Q34-I36 PolarHBondContact O-N 2.86Å; I36-C42 CarbonylContact O-C 3.58Å; I36-C42 WeakPolarHBondContact O-CA 3.38Å; I36-R43 PolarHBondContact N-O 3.14Å; I36-R43 PolarHBondContact O-N 2.89Å; I36-I45 HydrophobicContact CD1-CD1 4.01Å
37C47.4Very low46.1Very low70 Ų70127.3 Ų127.347%0.47363%0.627SS.*EExtended strand (participates in β ladder)trans-110.9129.3177.4-52.40000109C42C37-C42 HydrophobicContact CB-CB 4.06Å; C37-C42 WeakPolarHBondContact CB-SG 3.15Å; C37-C42 WeakPolarHBondContact SG-CB 3.13Å; C37-C42 CovalentContact SG-SG 2.04Å; C37-C42 PolarHBondContact SG-SG 3.34Å
38T44.8Very low46.2Very low95 Ų95129.2 Ų129.258%0.58363%0.631SS**EExtended strand (participates in β ladder)trans-96.1167150.356.40000107.8E40 K41T38-E40 PolarHBondContact O-N 3.25Å; T38-K41 PolarHBondContact N-O 2.78Å; T38-K41 PolarHBondContact O-N 3.29Å
39P48.6Very low46.4Very low111 Ų111124.6 Ų124.672%0.72162%0.619SS**THydrogen-bonded Turntrans-52.6-21.9-169.7-32.637.9000116.6
40E40.7Very low46.4Very low120 Ų120128.9 Ų128.956%0.56164%0.64SS**THydrogen-bonded Turntrans-107.5-23.4-178.2-57-164.4142.400115.6T38 P1516T38-E40 PolarHBondContact O-N 3.25Å; E40-P1516 VanDerWaalsContact OE1-CG 3.23Å; E40-P1516 WeakPolarHBondContact OE1-CG 2.98Å; E40-P1516 WeakPolarHBondContact OE2-CD 3.23Å
41K45Very low46.5Very low170 Ų170130.7 Ų130.774%0.73964%0.638SS**EExtended strand (participates in β ladder)trans-148.6128.5-179.5-67.8-171.7-179.1172.40113.5T38T38-K41 PolarHBondContact N-O 2.78Å; T38-K41 PolarHBondContact O-N 3.29Å
42C57.7Low46.9Very low67 Ų67123.3 Ų123.345%0.45363%0.626SS.*EExtended strand (participates in β ladder)trans-88.8110.7166-66.80000111.3I36 C37I36-C42 CarbonylContact O-C 3.58Å; I36-C42 WeakPolarHBondContact O-CA 3.38Å; C37-C42 HydrophobicContact CB-CB 4.06Å; C37-C42 WeakPolarHBondContact CB-SG 3.15Å; C37-C42 WeakPolarHBondContact SG-CB 3.13Å; C37-C42 CovalentContact SG-SG 2.04Å; C37-C42 PolarHBondContact SG-SG 3.34Å
43R51.8Low47.1Very low201 Ų201119.2 Ų119.276%0.75863%0.627SS**EExtended strand (participates in β ladder)trans-95.4130.5168.2-167.5171.9-172.4165.14.2110.1I36I36-R43 PolarHBondContact N-O 3.14Å; I36-R43 PolarHBondContact O-N 2.89Å
44C54Low47.3Very low61 Ų61126.7 Ų126.741%0.41265%0.654SS.*EExtended strand (participates in β ladder)trans-94.4122.2179.8-152.80000110.5C33 R35C33-C44 HydrophobicContact CB-CB 4.46Å; C33-C44 WeakPolarHBondContact CB-SG 3.35Å; C33-C44 PolarHBondContact O-SG 3.2Å; C33-C44 VanDerWaalsContact O-SG 3.33Å; C33-C44 VanDerWaalsContact SG-CA 3.58Å; C33-C44 WeakPolarHBondContact SG-CB 3.39Å; C33-C44 CovalentContact SG-SG 2.03Å; C33-C44 PolarHBondContact SG-SG 2.93Å; R35-C44 HydrophobicContact CG-CB 4.28Å
45I49.9Very low47.9Very low92 Ų92122.3 Ų122.347%0.47265%0.648SS.*EExtended strand (participates in β ladder)trans-110.3107.9177.9-55.2-178.7000108.4C33 Q34 I36C33-I45 PolarHBondContact SG-N 3.34Å; Q34-I45 PolarHBondContact N-O 2.99Å; Q34-I45 PolarHBondContact O-N 2.75Å; I36-I45 HydrophobicContact CD1-CD1 4.01Å
46G47.3Very low48.1Very low48 Ų48119.7 Ų119.750%0.49566%0.655SS.*PPolyproline II helixtrans-72151.8164.400000110.4
47R40.5Very low48.2Very low248 Ų248121.7 Ų121.794%0.93667%0.671SS**PPolyproline II helixtrans-57.8143.5167.6-70.1-176.4175.5-175.31.5109.2G49R47-G49 PolarHBondContact O-N 3.46Å; R47-G49 VanDerWaalsContact O-N 3.1Å
48K39.1Very low48.3Very low174 Ų174121.1 Ų121.176%0.75768%0.678SS**PPolyproline II helixtrans-52.9123.4163.7-172-168.5174.5-161.20106.6E51K48-E51 IonicContact NZ-OE1 3.47Å; K48-E51 PolarHBondContact NZ-OE1 3.01Å
49G43Very low48.4Very low55 Ų55121 Ų12157%0.56769%0.686SS**PPolyproline II helixtrans-56.8150179.100000111R47 E51R47-G49 PolarHBondContact O-N 3.46Å; R47-G49 VanDerWaalsContact O-N 3.1Å; G49-E51 PolarHBondContact O-N 2.99Å
50I42.2Very low48.7Very low170 Ų170121.6 Ų121.687%0.87269%0.69SS**PPolyproline II helixtrans-56.8132.4156.1-53.3172.3000105.3G52I50-G52 PolarHBondContact O-N 3.05Å; I50-G52 VanDerWaalsContact O-N 3.15Å
51E44.6Very low49.2Very low153 Ų153119.2 Ų119.272%0.71570%0.697SS**PPolyproline II helixtrans-58.2122.9176.5-80.2161.2-170.900108.5K48 G49K48-E51 IonicContact NZ-OE1 3.47Å; K48-E51 PolarHBondContact NZ-OE1 3.01Å; G49-E51 PolarHBondContact O-N 2.99Å
52G50.3Low49.1Very low54 Ų54120.4 Ų120.456%0.55771%0.706SS**PPolyproline II helixtrans-61.7158.617400000109.9I50 F54I50-G52 PolarHBondContact O-N 3.05Å; I50-G52 VanDerWaalsContact O-N 3.15Å; G52-F54 PolarHBondContact O-N 3.13Å
53P50.3Low48.5Very low130 Ų130124.7 Ų124.784%0.84472%0.722SS**PPolyproline II helixtrans-52.5138.6166.426.4-34.1000108.5G55P53-G55 PolarHBondContact O-N 3.43Å
54F50.8Low48.3Very low210 Ų210118.2 Ų118.292%0.92172%0.718SS**PPolyproline II helixtrans-49.4128.3174.2-80.5-94.1000108.7G52G52-F54 PolarHBondContact O-N 3.13Å
55G56.4Low47.8Very low55 Ų55125.3 Ų125.357%0.56774%0.742SS**PPolyproline II helixtrans-55.3152.7170.600000109.7P53 V57P53-G55 PolarHBondContact O-N 3.43Å; G55-V57 PolarHBondContact O-N 2.8Å
56P53.2Low47.5Very low129 Ų129128.2 Ų128.284%0.83876%0.758SS**PPolyproline II helixtrans-51.2132.3173.424.3-33.8000108.4G58P56-G58 PolarHBondContact O-N 3.24Å
57V53.9Low47.5Very low142 Ų142129.1 Ų129.186%0.86177%0.766SS**PPolyproline II helixtrans-52.3119.7180178.50000107.2G55 A59G55-V57 PolarHBondContact O-N 2.8Å; V57-A59 PolarHBondContact O-N 2.69Å
58G50.7Low47.8Very low59 Ų59125 Ų12561%0.60876%0.763SS**PPolyproline II helixtrans-52.8139.9178.900000109.2P56P56-G58 PolarHBondContact O-N 3.24Å
59A46.6Very low47.9Very low91 Ų91124.7 Ų124.775%0.75277%0.769SS**PPolyproline II helixtrans-47132.8179.600000109.2V57 G61V57-A59 PolarHBondContact O-N 2.69Å; A59-G61 PolarHBondContact O-N 2.81Å; A59-G61 VanDerWaalsContact O-N 3.13Å
60P55.7Low48.5Very low125 Ų125125 Ų12581%0.81277%0.772SS**PPolyproline II helixtrans-48.8126.7178.7-27.834.8000109.3E62P60-E62 PolarHBondContact O-N 3.25Å
61G49.4Very low48.9Very low69 Ų69122.6 Ų122.671%0.71177%0.768SS**PPolyproline II helixtrans-52.3138.8179.600000109.6A59 I63A59-G61 PolarHBondContact O-N 2.81Å; A59-G61 VanDerWaalsContact O-N 3.13Å; G61-I63 PolarHBondContact O-N 3.47Å
62E43.6Very low49Very low195 Ų195121.4 Ų121.491%0.91177%0.773SS**PPolyproline II helixtrans-48.7134.8-173.4-68-173.9128.300110.8P60 G64P60-E62 PolarHBondContact O-N 3.25Å; E62-G64 PolarHBondContact O-N 3.39Å
63I44.2Very low48.7Very low157 Ų157122.3 Ų122.381%0.80578%0.783SS**  trans-58.1110.9-174.4-62.9172.2000107.8G61 F65G61-I63 PolarHBondContact O-N 3.47Å; I63-F65 PolarHBondContact O-N 2.74Å
64G48.1Very low48.2Very low65 Ų65123.8 Ų123.867%0.6778%0.784SS**PPolyproline II helixtrans-52.1127.8176.300000109.4E62E62-G64 PolarHBondContact O-N 3.39Å
65F43.8Very low48.1Very low210 Ų210120.1 Ų120.192%0.92178%0.78SS**PPolyproline II helixtrans-51.3141.3-168.5-78.3-93.2000112.5I63 G67I63-F65 PolarHBondContact O-N 2.74Å; F65-G67 PolarHBondContact O-N 2.71Å; F65-G67 VanDerWaalsContact O-N 3.14Å
66I43.2Very low47.3Very low154 Ų154121 Ų12179%0.7979%0.79SS**PPolyproline II helixtrans-54.7117.2-178.3-63.7168.1000109.3
67G48.8Very low46.7Very low66 Ų66122.1 Ų122.168%0.6879%0.794SS**PPolyproline II helixtrans-71.5138.1164.700000110F65F65-G67 PolarHBondContact O-N 2.71Å; F65-G67 VanDerWaalsContact O-N 3.14Å
68D46.2Very low46Very low161 Ų161125.5 Ų125.586%0.86180%0.797SS**PPolyproline II helixtrans-59.8150.5-162.4-66.8-70.3000115.9G70D68-G70 PolarHBondContact O-N 2.94Å
69L40.5Very low45.5Very low169 Ų169125.9 Ų125.989%0.88580%0.802SS**  trans-71.9106.3-175.5-158.683.2000111.4
70G55.1Low45Very low62 Ų62131.4 Ų131.464%0.63981%0.812SS**PPolyproline II helixtrans-62.8131.9170.400000111.5D68D68-G70 PolarHBondContact O-N 2.94Å
71P51.8Low44.6Very low119 Ų119135.3 Ų135.377%0.77382%0.816SS**PPolyproline II helixtrans-69.9146.1-174.127.5-34.9000112.6
72P46.4Very low44.3Very low127 Ų127135.2 Ų135.283%0.82582%0.816SS**PPolyproline II helixtrans-68.9133.8-179.628-34.5000112.3
73G44.6Very low44Very low74 Ų74133.6 Ų133.676%0.76381%0.813SS**  trans-105.6143.8176.700000113.1
74N38.5Very low44Very low161 Ų161133.1 Ų133.186%0.86182%0.818SS**  trans-68.5150.6-165.5-60.2-29.8000115.2
75P48.5Very low43.7Very low132 Ų132133.4 Ų133.486%0.85782%0.821SS**  trans-89.4149.1175.835.2-34.7000114.4
76G41.3Very low43.4Very low74 Ų74133.3 Ų133.376%0.76382%0.823SS**  trans102.7149.6175.400000113.5
77T40.4Very low43.3Very low152 Ų152134.4 Ų134.493%0.93383%0.83SS**  cis-130.2-16411.557.60000112.4
78K38.7Very low43.1Very low213 Ų213134.7 Ų134.793%0.92683%0.833SS**  trans-129.8131.3-171.7176.3-170.7173.9-170.40111.7
79G39.6Very low43Very low68 Ų68139 Ų13970%0.70184%0.837SS**  trans137.1145.1178.700000109.9
80E37.4Very low43.2Very low206 Ų206136.8 Ų136.896%0.96382%0.822SS**  cis-134.3-1652.4-62.6-176.412200110.6
81K45.7Very low42.8Very low207 Ų207136.7 Ų136.790%0.982%0.821SS**  trans-120.2130.2-178.2177.5-165.7172.6-163.70110.4
82G44Very low42.3Very low68 Ų68141.4 Ų141.470%0.70183%0.83SS**  trans-152.8103.9176.400000114.8
83D37.4Very low42Very low161 Ų161142.6 Ų142.686%0.86182%0.822SS**  trans56.3175.3147.1-57.7-16000122.8
84T43.7Very low42.1Very low146 Ų146142.4 Ų142.490%0.89682%0.82SS**  trans-112.9137.5-145.9-54.50000113.4
85G42.5Very low42.2Very low72 Ų72142.9 Ų142.974%0.74282%0.817SS**  trans-149.689.8-178.800000116.7
86Q37.4Very low42.1Very low207 Ų207148 Ų14897%0.96782%0.819SS**  trans59165.5159.1-65.8-167.5-4.700120.7
87L41.7Very low42.4Very low178 Ų178147 Ų14793%0.93281%0.809SS**  trans-111.1123.1-158.5-177.769.9000113
88G43.9Very low42.9Very low72 Ų72146 Ų14674%0.74281%0.805SS**PPolyproline II helixtrans-102.5127.6179.100000114.2
89R43.8Very low43.3Very low252 Ų252144.8 Ų144.895%0.95180%0.802SS**PPolyproline II helixtrans-51.7134.7-169.5-72.9178.3166.5-174-5.3116.6
90Q44.3Very low43.5Very low122 Ų122143.9 Ų143.957%0.5779%0.793SS**PPolyproline II helixtrans-68.5126.7166.7-179.5-162.254.700112K397Q90-K397 PolarHBondContact O-NZ 3.21Å
91G48Very low44Very low60 Ų60139.9 Ų139.962%0.61979%0.785SS**PPolyproline II helixtrans-65.3171.5-17900000116
92F40.6Very low44.4Very low217 Ų217135.8 Ų135.895%0.95278%0.779SS**PPolyproline II helixtrans-79.1149.5-170.3-72.1-87.9000114.6
93K40.8Very low44.2Very low153 Ų153136 Ų13667%0.66578%0.782SS**PPolyproline II helixtrans-82.8133.4178.8-171.7170.8-172.9163.80109.9D399K93-D399 WeakPolarHBondContact CE-OD2 3.22Å; K93-D399 IonicContact NZ-OD1 2.62Å; K93-D399 PolarHBondContact NZ-OD1 2.91Å; K93-D399 IonicContact NZ-OD2 3.66Å; K93-D399 PolarHBondContact NZ-OD2 3.06Å
94G46.5Very low44.4Very low70 Ų70138.7 Ų138.772%0.72278%0.781SS**PPolyproline II helixtrans-63.7151.4-179.800000113.5
95E40.4Very low44.7Very low170 Ų170137.6 Ų137.679%0.79478%0.777SS**PPolyproline II helixtrans-57.4135.7-177.2-61.9166.712300112.2G97E95-G97 PolarHBondContact O-N 2.9Å
96R46.1Very low44.6Very low241 Ų241137.9 Ų137.991%0.90978%0.78SS**  trans-73109.2173.2-178.2-173.6-67.4171.2-0108.5
97G48.4Very low44.9Very low52 Ų52135.9 Ų135.954%0.53677%0.77SS.*PPolyproline II helixtrans-55.2152.4170.500000111.8E95 Q99E95-G97 PolarHBondContact O-N 2.9Å; G97-Q99 PolarHBondContact O-N 3.22Å
98P49.7Very low44.6Very low131 Ų131136.2 Ų136.285%0.85177%0.767SS**PPolyproline II helixtrans-55.7139.2-174.522.9-34000111.2G100P98-G100 PolarHBondContact O-N 3.07Å; P98-G100 VanDerWaalsContact O-N 3.15Å
99Q47.6Very low44.5Very low188 Ų188136.3 Ų136.388%0.87977%0.767SS**PPolyproline II helixtrans-58.8119.3179.2-176.11711.100109.2G97G97-Q99 PolarHBondContact O-N 3.22Å
100G43.8Very low44.1Very low49 Ų49134.1 Ų134.151%0.50577%0.765SS.*PPolyproline II helixtrans-59.5151.3175.400000110.9P98P98-G100 PolarHBondContact O-N 3.07Å; P98-G100 VanDerWaalsContact O-N 3.15Å
101P47.2Very low43.7Very low121 Ų121136.1 Ų136.179%0.78678%0.78SS**PPolyproline II helixtrans-54.4143.717724.1-34000110.1G103P101-G103 PolarHBondContact O-N 3.47Å; P101-G103 VanDerWaalsContact O-N 3.12Å
102P54.1Low43.1Very low121 Ų121136.7 Ų136.779%0.78679%0.786SS**PPolyproline II helixtrans-52.1121.4-178.8-27.835.4000111.3Y104P102-Y104 PolarHBondContact O-N 3.31Å
103G39.8Very low42.8Very low73 Ų73137.2 Ų137.275%0.75378%0.783SS**PPolyproline II helixtrans-60126.5-177.100000111.2P101P101-G103 PolarHBondContact O-N 3.47Å; P101-G103 VanDerWaalsContact O-N 3.12Å
104Y43Very low42.9Very low218 Ų218135.8 Ų135.886%0.85579%0.789SS**PPolyproline II helixtrans-53.6140.4174.6-66.9-84.5000110.6P102 G106P102-Y104 PolarHBondContact O-N 3.31Å; Y104-G106 PolarHBondContact O-N 2.9Å
105P49.1Very low42.5Very low123 Ų123136 Ų13680%0.79979%0.791SS**PPolyproline II helixtrans-57.6116.6175.5-23.834000110.3Q107P105-Q107 PolarHBondContact O-N 2.99Å; P105-Q107 VanDerWaalsContact O-N 3.14Å
106G41.4Very low42.2Very low78 Ų78138.2 Ų138.280%0.80480%0.799SS**PPolyproline II helixtrans-60.3117.2-173.600000112.2Y104Y104-G106 PolarHBondContact O-N 2.9Å
107Q41.7Very low41.9Very low165 Ų165135.6 Ų135.677%0.77180%0.799SS**PPolyproline II helixtrans-69156.1163.1-65.9-169.610.600109.7P105 G109P105-Q107 PolarHBondContact O-N 2.99Å; P105-Q107 VanDerWaalsContact O-N 3.14Å; Q107-G109 PolarHBondContact O-N 2.98Å
108H37.5Very low41.6Very low185 Ų185136.3 Ų136.386%0.85681%0.806SS**PPolyproline II helixtrans-63.4122.5-169-67-84.4000112.5
109G39.8Very low41.2Very low73 Ų73135.1 Ų135.175%0.75381%0.808SS**PPolyproline II helixtrans-68.5135.2164.200000110.7Q107Q107-G109 PolarHBondContact O-N 2.98Å
110F37Very low40.9Very low206 Ų206135.2 Ų135.290%0.90481%0.805SS**PPolyproline II helixtrans-74.6154.7165.3-80.2-99.7000110.4G112F110-G112 PolarHBondContact O-N 2.95Å
111D35Very low41Very low164 Ų164135.8 Ų135.888%0.87781%0.812SS**PPolyproline II helixtrans-61.9131.1-166.8-61.6-71.1000114.4
112G36.4Very low40.7Very low72 Ų72137.6 Ų137.674%0.74281%0.814SS**PPolyproline II helixtrans-102.2136.3171.400000111.7F110F110-G112 PolarHBondContact O-N 2.95Å
113Y33.9Very low40.1Very low228 Ų228141.6 Ų141.689%0.89482%0.82SS**PPolyproline II helixtrans-57142.4-176.8-72.9-99000113.5G115Y113-G115 PolarHBondContact O-N 2.88Å
114P43.4Very low40.3Very low123 Ų123141.1 Ų141.180%0.79982%0.815SS**PPolyproline II helixtrans-68.7129.917728.1-34.1000112
115G38.1Very low40Very low74 Ų74138.7 Ų138.776%0.76382%0.816SS**PPolyproline II helixtrans-77160173.800000113.5Y113Y113-G115 PolarHBondContact O-N 2.88Å
116F33.3Very low39.6Very low218 Ų218137.6 Ų137.696%0.95682%0.818SS**PPolyproline II helixtrans-71.2148.6-173.1-76.4-98.3000114
117M40.1Very low39.6Very low185 Ų185137 Ų13791%0.91181%0.812SS**PPolyproline II helixtrans-77.5127.9177.8-178.7170.863.400111.3
118G42.3Very low39.4Very low67 Ų67135.5 Ų135.569%0.69182%0.818SS**PPolyproline II helixtrans-71155.5173.800000113
119A41.8Very low39.6Very low107 Ų107137.7 Ų137.788%0.88482%0.82SS**PPolyproline II helixtrans-68.1149.6-177.400000113
120K40.5Very low39.4Very low189 Ų189137.4 Ų137.482%0.82282%0.817SS**PPolyproline II helixtrans-79.8129175.6177.5-168.2171.2-156.90109.6
121G45.5Very low39.4Very low62 Ų62135.3 Ų135.364%0.63982%0.816SS**PPolyproline II helixtrans-80151.4168.900000112.4
122D42Very low39.9Very low158 Ų158133.4 Ų133.485%0.84581%0.812SS**PPolyproline II helixtrans-79.3166.6-178.1-68-57.4000113.8
123K40.8Very low39.9Very low206 Ų206133.4 Ų133.490%0.89681%0.812SS**PPolyproline II helixtrans-103.1117.6-173.3-175-169.7176.4-162.90109.3
124G44.4Very low40.1Very low63 Ų63132 Ų13265%0.64981%0.814SS**  trans-86-172.4-179.500000115.1
125D35.7Very low39.9Very low166 Ų166133.8 Ų133.889%0.88882%0.816SS**  trans-98.3157.4-166.8-60.7-61.3000115.4
126A40.2Very low39.8Very low101 Ų101133.8 Ų133.884%0.83582%0.816SS**  trans-86.5163.1161.100000109.5
127G41.8Very low39.9Very low65 Ų65132.3 Ų132.367%0.6781%0.814SS**  cis12514010.400000110
128C37.1Very low40.3Very low133 Ų133129.5 Ų129.590%0.89981%0.81SS**  trans-136.3147.5-178.1-68.60000113
129Y41.7Very low40.1Very low231 Ų231129.9 Ų129.991%0.90681%0.814SS**  trans-83.7162.9174-53.6-103.2000109.4
130G36.6Very low39.9Very low67 Ų67132.9 Ų132.969%0.69182%0.815SS**  cis123.5122.1-0.100000111.4
131D37.5Very low40.1Very low163 Ų163128.2 Ų128.287%0.87281%0.806SS**  trans-128151-177.7-85.6-55.1000113.4
132P44.1Very low39.6Very low124 Ų124127.9 Ų127.981%0.80580%0.803SS**  trans-95.4171.517522.3-3.8000112.3
133G37.4Very low39.5Very low71 Ų71129.9 Ų129.973%0.73280%0.799SS**  cis144.3128.3-2.600000111
134E37.8Very low39.5Very low200 Ų200125.5 Ų125.594%0.93579%0.791SS**  trans-130.8158.1176.4-146.7173.5-136.800111.4
135N38.7Very low39.3Very low160 Ų160125.8 Ų125.886%0.85679%0.794SS**  trans-118.6142.3-146.3-68.5-73000115.7
136G35.7Very low39.4Very low73 Ų73126.4 Ų126.475%0.75380%0.796SS**  trans99.9153.3157.700000115.7
137M36.6Very low39.5Very low187 Ų187131.9 Ų131.992%0.92180%0.801SS**PPolyproline II helixcis-103.4159.20.7-79.3-169.5168.700113.5
138P47.8Very low39.6Very low127 Ų127131.9 Ų131.983%0.82580%0.8SS**PPolyproline II helixtrans-66.4140.8177.8-17.531.9000112.5
139G38.4Very low39.8Very low75 Ų75133.7 Ų133.777%0.77380%0.8SS**PPolyproline II helixtrans-90.4170.2170.800000113
140D37.2Very low40.2Very low169 Ų169128.8 Ų128.890%0.90480%0.797SS**PPolyproline II helixtrans-86.5127.4170.8-133.5-29.1000110.4
141S44.8Very low40.5Very low91 Ų91128.6 Ų128.664%0.63679%0.794SS**PPolyproline II helixtrans-73.1132.8-164.461.60000113.4
142G36.4Very low40.2Very low56 Ų56127.4 Ų127.458%0.57778%0.782SS**PPolyproline II helixtrans-57.8150.3156.600000110.7P144G142-P144 VanDerWaalsContact O-CD 3.27Å; G142-P144 WeakPolarHBondContact O-CD 3.2Å
143R39.5Very low40Very low200 Ų200126.4 Ų126.476%0.75578%0.775SS**  trans-111.394.3177.2-75.3-169172.4-145.8-2.2112
144P39.4Very low40.6Very low113 Ų113126.4 Ų126.473%0.73478%0.775SS**  trans-54.2147.5168.2-25.434.9000112G142G142-P144 VanDerWaalsContact O-CD 3.27Å; G142-P144 WeakPolarHBondContact O-CD 3.2Å
145G40.3Very low40.4Very low69 Ų69125 Ų12571%0.71177%0.774SS**  trans-81.6-165.2-174.300000115
146I39.1Very low40Very low179 Ų179127.1 Ų127.192%0.91878%0.776SS**  trans-145.3149.5169.533.2172.9000110.1
147K42.2Very low40.6Very low217 Ų217127.2 Ų127.294%0.94378%0.777SS**  trans-104.2126.5162.5-89.1-174.7174-1800109
148G42.9Very low40.6Very low64 Ų64124.8 Ų124.866%0.6677%0.773SS**  trans-143.2122.7160.900000106.6
149L42.6Very low39.7Very low171 Ų171128.5 Ų128.590%0.89578%0.776SS**  75.2129.376.4-75.1169.5000112.3
150P49.6Very low39.4Very low129 Ų129127.7 Ų127.784%0.83877%0.767SS**  trans-78.6133.3-167.7-10.228.5000111.8
151G43.3Very low39.5Very low62 Ų62125.7 Ų125.764%0.63976%0.762SS**  trans-87.7163.9-179.800000114.4
152F30.5Very low39.1Very low139 Ų139125.4 Ų125.461%0.6176%0.758SS**  trans-154169.8156-95.7-52.5000108.7I1067F152-I1067 HydrophobicContact CD1-CG2 3.9Å; F152-I1067 HydrophobicContact CE1-CB 4.47Å; F152-I1067 HydrophobicContact CE1-CD1 4.13Å; F152-I1067 HydrophobicContact CE1-CG1 4.15Å; F152-I1067 HydrophobicContact CE1-CG2 3.49Å; F152-I1067 VanDerWaalsContact CE1-CG2 3.49Å; F152-I1067 HydrophobicContact CZ-CG2 4.43Å
153P40.3Very low39Very low103 Ų103124.5 Ų124.567%0.66975%0.748SS**  trans-74.8154.4-132.3-2033.7000117.5
154G50.1Low38.7Very low71 Ų71118.7 Ų118.773%0.73273%0.726SS**  trans-86.4-164.5174.600000114.6
155N34.2Very low38.6Very low170 Ų170115.8 Ų115.891%0.90971%0.712SS**  trans-132.2172.5-178.3-94.2-52.6000112.5
156K28.4Very low38.5Very low205 Ų205115.9 Ų115.989%0.89169%0.693SS**  trans-54.5143.5178.2-66.9174.8178.7173.30112.2
157G49.1Very low38.3Very low75 Ų75117 Ų11777%0.77369%0.686SS**  trans-87.4-177.1168.700000113.8
158T35.9Very low38.3Very low136 Ų136109.5 Ų109.583%0.83467%0.671SS**  trans-119.6137.9172.350.30000108.2
159K28.9Very low38.2Very low204 Ų204112.7 Ų112.789%0.88768%0.677SS**  cis68.2111.846.8-164.7-175.7-178.6-174.10111
160G33.1Very low37.8Very low58 Ų58112.6 Ų112.660%0.59867%0.672SS**  cis-148.1178.77.100000111.9
161T38.4Very low37.2Very low128 Ų128110 Ų11079%0.78567%0.669SS**  47.8138.662.2720000113.1
162P36.7Very low36.8Very low85 Ų85116.2 Ų116.255%0.55268%0.678SS**  cis-140.5-157.9-0.916.115.4000112.5P350P162-P350 VanDerWaalsContact CB-C 3.47Å; P162-P350 HydrophobicContact CB-CB 3.85Å; P162-P350 VanDerWaalsContact CB-N 3.33Å; P162-P350 WeakPolarHBondContact CB-O 3.46Å; P162-P350 HydrophobicContact CG-CB 4.38Å
163G34.8Very low37.1Very low36 Ų36115.5 Ų115.537%0.37169%0.687SS.*  cis153.2-176.4-4.900000111.7P350 R351 G352G163-P350 VanDerWaalsContact CA-C 3.4Å; G163-R351 VanDerWaalsContact CA-N 3.35Å; G163-G352 CarbonylContact C-O 3.59Å; G163-G352 WeakPolarHBondContact CA-O 3.41Å
164W33.6Very low37Very low78 Ų78113.8 Ų113.830%0.29569%0.689SS.*  cis-119.1163.811-164.1-122.9000110.7E166 R348 P350 R351 G352 Q353W164-E166 HydrophobicContact CZ2-CB 4.34Å; W164-E166 HydrophobicContact CZ2-CG 3.74Å; W164-R348 HydrophobicContact CE3-CB 4.06Å; W164-R348 HydrophobicContact CH2-CB 4.32Å; W164-R348 HydrophobicContact CH2-CG 4.05Å; W164-R348 VanDerWaalsContact CH2-NH1 3.34Å; W164-R348 HydrophobicContact CZ3-CB 3.64Å; W164-R348 HydrophobicContact CZ3-CG 3.76Å; W164-P350 HydrophobicContact CB-CB 3.87Å; W164-P350 HydrophobicContact CE3-CB 4.43Å; W164-R351 HydrophobicContact CD2-CB 4.11Å; W164-R351 HydrophobicContact CE3-CB 3.35Å; W164-R351 HydrophobicContact CH2-CB 3.77Å; W164-R351 HydrophobicContact CH2-CG 4.46Å; W164-R351 HydrophobicContact CZ3-CB 3.16Å; W164-R351 HydrophobicContact CZ3-CG 4.24Å; W164-G352 VanDerWaalsContact C-C 3.45Å; W164-G352 CarbonylContact C-O 3.49Å; W164-G352 PolarHBondContact N-O 2.86Å; W164-G352 CarbonylContact O-C 2.98Å; W164-G352 VanDerWaalsContact O-CA 3.28Å; W164-G352 WeakPolarHBondContact O-CA 3.15Å; W164-G352 VanDerWaalsContact O-O 3.04Å; W164-Q353 PolarHBondContact O-N 3.14Å
165A37.8Very low36.4Very low52 Ų52116.8 Ų116.843%0.4370%0.696SS.*  -161.8-162.857.300000119.8R351 G352A165-R351 PolarHBondContact O-NE 2.87Å; A165-R351 PolarHBondContact O-NH2 2.85Å; A165-G352 VanDerWaalsContact N-N 3.11Å
166E37.7Very low36.4Very low71 Ų71120.1 Ų120.133%0.33270%0.695SS.*  trans-75.8-171.8-160.5-105.3-47.63600116.3W164 R348 R351W164-E166 HydrophobicContact CZ2-CB 4.34Å; W164-E166 HydrophobicContact CZ2-CG 3.74Å; E166-R348 IonicContact OE1-CZ 3.81Å; E166-R348 IonicContact OE1-NH1 2.79Å; E166-R348 PolarHBondContact OE1-NH1 3.33Å; E166-R348 IonicContact OE1-NH2 3.02Å; E166-R348 IonicContact OE2-CZ 3.22Å; E166-R348 IonicContact OE2-NH1 2.69Å; E166-R348 PolarHBondContact OE2-NH1 2.82Å; E166-R348 IonicContact OE2-NH2 3.51Å; E166-R351 PolarHBondContact O-NH2 2.93Å; E166-R351 VanDerWaalsContact O-NH2 3.09Å; E166-R351 IonicContact OE1-CZ 3.6Å; E166-R351 IonicContact OE1-NH1 2.58Å; E166-R351 PolarHBondContact OE1-NH1 2.89Å; E166-R351 IonicContact OE1-NH2 3.57Å; E166-R351 PolarHBondContact OE1-NH2 3.3Å
167R35.5Very low36.7Very low203 Ų203113.3 Ų113.377%0.76668%0.683SS**  cis-160167.7-16.4165.4163.4-70.6-174.60.7108.3
168G41.2Very low36.5Very low60 Ų60117.2 Ų117.262%0.61969%0.686SS**  trans142.3121.816000000117.8
169T40.6Very low36.7Very low130 Ų130116.9 Ų116.980%0.79869%0.687SS**  trans39105.4158.5490000122.5
170H35.1Very low37.5Very low170 Ų170110.2 Ų110.279%0.78768%0.676SS**  trans42.8108.2140.7-54.1-76.5000121.6
171G36.2Very low37.8Very low74 Ų74114 Ų11476%0.76369%0.69SS**  trans-136.8122147.300000108.7
172F34.7Very low37.4Very low193 Ų193116.9 Ų116.985%0.84670%0.697SS**PPolyproline II helixtrans-72.8137.5-168.1-78.7-89.4000113.6
173P37.6Very low37.5Very low123 Ų123115.6 Ų115.680%0.79970%0.699SS**PPolyproline II helixtrans-69.9140.3164.3-14.629.8000111.7
174G37.8Very low37.7Very low68 Ų68122 Ų12270%0.70173%0.725SS**PPolyproline II helixtrans-101147.9161.300000110.4
175P36.3Very low38.1Very low134 Ų134129.5 Ų129.587%0.8776%0.755SS**PPolyproline II helixtrans-83.6172.9-152.8-17.434.6000117.4
176R35.8Very low38.1Very low239 Ų239130.4 Ų130.490%0.90277%0.769SS**PPolyproline II helixtrans-52.8147.6163.1-177-179-171.8164.90.6110.9
177G34.2Very low38Very low62 Ų62134.7 Ų134.764%0.63979%0.794SS**PPolyproline II helixtrans-58.7152.6-178.700000114.5
178D44.2Very low38.6Very low157 Ų157129.9 Ų129.984%0.8479%0.789SS**PPolyproline II helixtrans-71139.4-163.9-42.5-84.9000114
179P40.7Very low38.7Very low129 Ų129131 Ų13184%0.83880%0.8SS**  -118.3112129-1.221.9000108.7
180G44.8Very low38.4Very low65 Ų65132.6 Ų132.667%0.6780%0.799SS**  trans-84.1159.7-16800000115.7
181P39.3Very low39.1Very low136 Ų136131.1 Ų131.188%0.88380%0.804SS**  trans-75.7170163.734.3-34.6000111.9
182M30.7Very low39.1Very low189 Ų189130.7 Ų130.793%0.93180%0.799SS**  trans-104.4141.8-175.4-177.3-168.4-55.100111.1
183G38.9Very low39.8Very low59 Ų59127.8 Ų127.861%0.60880%0.8SS**  trans88.9162.6176.900000114.1
184D39.6Very low40.1Very low170 Ų170131.3 Ų131.391%0.90981%0.808SS**  cis-107.6159.49-80.6-48.6000115.5
185Y42.3Very low40Very low236 Ų236130.9 Ų130.993%0.92580%0.804SS**  trans-80.6136.1166.3-75-104.4000110.3
186G36.3Very low40.6Very low71 Ų71132.8 Ų132.873%0.73281%0.806SS**  trans155.8126.2162.600000113.6
187L37.1Very low40.4Very low161 Ų161126.4 Ų126.484%0.84381%0.805SS**  cis-133.1157.7-15.7-90.2169.7000107.5G189L187-G189 PolarHBondContact O-N 3.27Å; L187-G189 VanDerWaalsContact O-N 3.14Å
188P48.3Very low40.3Very low102 Ų102126.5 Ų126.566%0.66281%0.806SS**  trans-64.2119.3-174.825.9-33.8000110.9Q190P188-Q190 PolarHBondContact O-N 3.33Å
189G42.1Very low40Very low83 Ų83127.4 Ų127.486%0.85681%0.811SS**  trans-61102162.100000108.3L187L187-G189 PolarHBondContact O-N 3.27Å; L187-G189 VanDerWaalsContact O-N 3.14Å
190Q34Very low39.9Very low164 Ų164131 Ų13177%0.76681%0.808SS**  trans-66.6154.4-165.4-74.6177.6-26.400112.5P188 G192P188-Q190 PolarHBondContact O-N 3.33Å; Q190-G192 PolarHBondContact O-N 3.01Å
191P50Low39.4Very low139 Ų139131.6 Ų131.690%0.90381%0.813SS**  trans-65124.9-179.9-17.530.9000111.6
192G36.2Very low39.2Very low64 Ų64132.9 Ų132.966%0.6681%0.812SS**  trans171.6173.516900000114.2Q190Q190-G192 PolarHBondContact O-N 3.01Å
193P48.7Very low39.7Very low133 Ų133129 Ų12986%0.86480%0.799SS**  cis-85150.1-11.2-6.125.8000111.7
194M44.5Very low39.5Very low196 Ų196129.7 Ų129.797%0.96681%0.806SS**  trans-89.4111.8159.8-179-176.873.600107.9
195G35.8Very low39.2Very low59 Ų59129.7 Ų129.761%0.60881%0.805SS**  trans177.4142.7176.800000110.3
196D48.5Very low39Very low174 Ų174127.5 Ų127.593%0.9380%0.801SS**  cis-128.4165.3-2.3-82.8-47.2000112.5
197A31.9Very low38.9Very low105 Ų105127.2 Ų127.287%0.86880%0.797SS**  trans-109.3159.7-16500000113.5
198G32.4Very low38.6Very low65 Ų65129.6 Ų129.667%0.6780%0.801SS**  trans117.4136.5169.400000113.2
199N37.8Very low38.1Very low175 Ų175134.6 Ų134.694%0.93681%0.813SS**  cis-137.3163.7-0.6-101.1-33.5000113.9
200R38.1Very low37.7Very low206 Ų206133.7 Ų133.778%0.77780%0.803SS**  trans-107.6111.3-155.5177.5-175.7-175173.20111.6
201G34.6Very low37.7Very low76 Ų76129.8 Ų129.878%0.78480%0.799SS**  trans-74125.2166.200000111
202L35.5Very low37.3Very low164 Ų164130.5 Ų130.586%0.85978%0.784SS**  trans-62.1143.1-163.2-78.5162.6000116G204L202-G204 PolarHBondContact O-N 2.84Å
203T40.2Very low37.2Very low106 Ų106130.4 Ų130.465%0.6578%0.783SS**  trans-76.7114172.4-50.40000111.2
204G34.8Very low36.5Very low74 Ų74132.5 Ų132.576%0.76378%0.779SS**  trans-70.7126.9163.300000110.9L202L202-G204 PolarHBondContact O-N 2.84Å
205L34.8Very low36.6Very low170 Ų170128.8 Ų128.889%0.8977%0.769SS**  trans-68.9144.8-163.2-80.7161.7000115.7G207L205-G207 PolarHBondContact O-N 3.05Å
206K38.1Very low36.8Very low191 Ų191129.3 Ų129.383%0.8377%0.774SS**  trans-62109172.4172.9-172.9174.9-174.30111.9
207G34.1Very low36.2Very low64 Ų64129.4 Ų129.466%0.6677%0.773SS**PPolyproline II helixtrans-68.5155.2164.600000112.9L205L205-G207 PolarHBondContact O-N 3.05Å
208F29.7Very low36.4Very low211 Ų211130.2 Ų130.293%0.92576%0.757SS**PPolyproline II helixtrans-83.2165.1-172.2-78.6-99.7000114.6
209K38.1Very low36.6Very low208 Ų208130.9 Ų130.990%0.90476%0.764SS**PPolyproline II helixtrans-78.5127.8-167.7177.3-176.2176.6-173.90113.6
210G34.2Very low36.4Very low64 Ų64134.3 Ų134.366%0.6676%0.764SS**PPolyproline II helixtrans-81.7169.8171.100000115.4
211A33.1Very low36.3Very low81 Ų81130.7 Ų130.767%0.66977%0.767SS**PPolyproline II helixtrans-73.8159.5-172.700000115.6P1008A211-P1008 HydrophobicContact CB-CG 3.7Å
212R41.5Very low36.1Very low155 Ų155131.9 Ų131.959%0.58577%0.77SS**PPolyproline II helixtrans-92132.7-178.8174.3175.2171.5-164.1-7.4112.4G1010 R1011R212-G1010 PolarHBondContact NH1-O 2.82Å; R212-R1011 PolarHBondContact NH1-O 3.46Å; R212-R1011 PolarHBondContact NH2-O 2.74Å
213G34.6Very low35.8Very low62 Ų62128.2 Ų128.264%0.63976%0.763SS**PPolyproline II helixtrans-83169.4172.500000115
214F34.9Very low35.4Very low177 Ų177128.9 Ų128.978%0.77677%0.769SS**PPolyproline II helixtrans-93.8158.7-176.7-71.1-84.6000113.9
215P45.8Very low35.2Very low118 Ų118131.6 Ų131.677%0.76676%0.764SS**PPolyproline II helixtrans-90.9153-173.4-1.522.6000114.4
216G40.1Very low35Very low69 Ų69126 Ų12671%0.71174%0.738SS**  trans-90.2178.6177.200000116.1
217I36.6Very low34.8Very low177 Ų177118 Ų11891%0.90870%0.704SS**  trans-107154.2-169.1-45176000111.4
218K34.5Very low34.6Very low121 Ų121120.1 Ų120.153%0.52670%0.696SS.*  trans-82.3155.6-179.6-64-172179.8-169.90113.9G813K218-G813 PolarHBondContact NZ-O 3.17Å
219G38Very low34.7Very low80 Ų80113 Ų11383%0.82568%0.682SS**  trans-97-179.3175.100000115.6
220R34Very low34.3Very low247 Ų247111.7 Ų111.793%0.93268%0.68SS**  trans-114.8165.1177.8-105.1-173.9173.2-176.1-2111.5
221P36Very low34Very low129 Ų129118.1 Ų118.184%0.83869%0.689SS**  trans-78.4166.3-166.832.5-37000114.7
222A29.4Very low34.1Very low102 Ų102116 Ų11684%0.84368%0.675SS**  trans-93.4160.2-171.100000114.8
223A30.3Very low33.5Very low87 Ų87114.6 Ų114.672%0.71968%0.679SS**  trans-115.3174.9165.300000108.7
224P31.7Very low33.5Very low120 Ų120121.7 Ų121.778%0.77969%0.692SS**  trans-70156.4-162.229-34.9000114.1
225I29.9Very low33.7Very low130 Ų130116.6 Ų116.667%0.66769%0.69SS**  trans-78.3125.4-172.9-37175.7000110.3Q1712I225-Q1712 VanDerWaalsContact CG2-NE2 3.31Å
226T29.7Very low32.9Very low53 Ų53120.3 Ų120.333%0.32570%0.697SS.*  trans-110.4156.3168.961.80000108.9E228 L1617T226-E228 PolarHBondContact O-N 3.23Å; T226-E228 VanDerWaalsContact O-N 3.12Å; T226-L1617 HydrophobicContact CG2-CB 3.84Å; T226-L1617 HydrophobicContact CG2-CD2 4.33Å
227I34.6Very low32.7Very low24 Ų24129 Ų12912%0.12371%0.708CS.*  trans-80.794.3166.9-56.6-165.1000107.8Y1615 L1696 H1710 Q1712I227-Y1615 HydrophobicContact CB-CG 4.47Å; I227-Y1615 HydrophobicContact CG2-CD1 4Å; I227-Y1615 HydrophobicContact CG2-CD2 3.93Å; I227-Y1615 HydrophobicContact CG2-CG 3.64Å; I227-Y1615 WeakPolarHBondContact O-CB 3.25Å; I227-L1696 HydrophobicContact CD1-CD2 4.32Å; I227-H1710 HydrophobicContact CD1-CB 4.02Å; I227-H1710 WeakPolarHBondContact CD1-O 3.19Å; I227-Q1712 HydrophobicContact CD1-CB 4.48Å; I227-Q1712 HydrophobicContact CD1-CG 4.02Å; I227-Q1712 HydrophobicContact CG1-CG 3.91Å
228E30.2Very low33Very low108 Ų108123 Ų12351%0.50569%0.69SS.*  trans-110.3143.2153.1-65.9-159121.400108.3T226 Q230 Q1614 L1617T226-E228 PolarHBondContact O-N 3.23Å; T226-E228 VanDerWaalsContact O-N 3.12Å; E228-Q230 PolarHBondContact O-N 2.76Å; E228-Q1614 PolarHBondContact OE1-NE2 2.79Å; E228-L1617 HydrophobicContact CG-CD2 3.57Å
229G31.9Very low32.9Very low61 Ų61123.5 Ų123.563%0.62971%0.706SS**  trans-60.1124.7175.400000110K231G229-K231 PolarHBondContact O-N 3.32Å
230Q28.4Very low32.7Very low181 Ų181131.1 Ų131.185%0.84671%0.71SS**  trans-74.577.7-175.7-70.8-166.4-0.500112.1E228 G232E228-Q230 PolarHBondContact O-N 2.76Å; Q230-G232 PolarHBondContact O-N 3.38Å; Q230-G232 VanDerWaalsContact O-N 3.16Å
231K29.2Very low32.7Very low199 Ų199122.9 Ų122.987%0.86570%0.701SS**  trans9.994.1143.9-176.3-179.4-177.2172.70113.8G229G229-K231 PolarHBondContact O-N 3.32Å
232G35.2Very low32.8Very low35 Ų35121.9 Ų121.936%0.36170%0.698SS.*  trans-54.6143.8-177.500000113.7Q230Q230-G232 PolarHBondContact O-N 3.38Å; Q230-G232 VanDerWaalsContact O-N 3.16Å
233D29.1Very low32.9Very low126 Ų126123.3 Ų123.367%0.67469%0.691SS**  trans-57.6140.9176.6-69.7-61.7000111.6G235D233-G235 PolarHBondContact O-N 2.77Å
234K34Very low33Very low211 Ų211122.2 Ų122.292%0.91769%0.688SS**  trans-64.6110173.5-84.7-170172.3-175.10109.6
235G38.9Very low33Very low71 Ų71123.7 Ų123.773%0.73268%0.679SS**  trans-53.1149.4-178.600000113.7D233D233-G235 PolarHBondContact O-N 2.77Å
236Q29Very low33.4Very low196 Ų196121.8 Ų121.892%0.91668%0.675SS**  trans-66.3137.7173.9-61.9-169.416.800110G238Q236-G238 PolarHBondContact O-N 3.07Å; Q236-G238 VanDerWaalsContact O-N 3.09Å
237R36.4Very low33.4Very low250 Ų250124.7 Ų124.794%0.94370%0.696SS**  trans-66.5108.4177.8-174.3-175.9-170.5179.35.7109.6
238G41.6Very low33.3Very low51 Ų51130.1 Ų130.153%0.52673%0.731SS.*  trans-60.3166.2171.300000112.9Q236Q236-G238 PolarHBondContact O-N 3.07Å; Q236-G238 VanDerWaalsContact O-N 3.09Å
239P33.2Very low33.3Very low132 Ų132132.1 Ų132.186%0.85774%0.744SS**  trans-61.4158.3178.727.1-34.5000112.2G241P239-G241 PolarHBondContact O-N 3.35Å
240R34.3Very low33.2Very low241 Ų241135.3 Ų135.391%0.90975%0.747SS**  trans-75.484.3-172.5-175-172.8-175.4176-0111.6
241G34.1Very low33.2Very low73 Ų73132.5 Ų132.575%0.75374%0.736SS**PPolyproline II helixtrans-63137.2156.200000110P239P239-G241 PolarHBondContact O-N 3.35Å
242S37.3Very low33.4Very low109 Ų109131.4 Ų131.476%0.76273%0.734SS**PPolyproline II helixtrans-103.1144.6-178.548.20000112.1
243D32.6Very low33.2Very low132 Ų132133.2 Ų133.271%0.70675%0.746SS**PPolyproline II helixtrans-57.5153.7159.8-57.1-91.7000111.1K719D243-K719 IonicContact OD1-NZ 3.96Å; D243-K719 PolarHBondContact OD1-NZ 3.17Å
244G32.4Very low33.3Very low63 Ų63136.6 Ų136.665%0.64976%0.757SS**  cis-175.6-144.24.100000113.5
245Y31.5Very low33.6Very low152 Ų152134.8 Ų134.860%0.59676%0.756SS**  trans-38.9146.2-169.3-74-76.1000118.9K719 G720Y245-K719 HydrophobicContact CE2-CG 4.24Å; Y245-K719 WeakPolarHBondContact OH-CG 3.11Å; Y245-G720 PolarHBondContact OH-O 3.2Å
246P38Very low33.4Very low90 Ų90134.4 Ų134.458%0.58475%0.752SS**  trans-94.9-175-179.740.5-38000114.6
247C29.8Very low33.8Very low114 Ų114131.5 Ų131.577%0.7775%0.75SS**  trans87.2128.7-177.2-49.30000113.1
248T32.5Very low34Very low137 Ų137129 Ų12984%0.8475%0.749SS**  cis-126-172.212.350.60000113.8
249L29.7Very low34.4Very low151 Ų151129.6 Ų129.679%0.79176%0.755SS**  trans-52.9165.5169-61.5152.4000112
250D29.7Very low34.8Very low128 Ų128130 Ų13068%0.68476%0.758SS**  cis-165.3177.133.8-143.3-22.1000115
251I29.1Very low35.4Very low122 Ų122128 Ų12863%0.62676%0.759SS**  trans71113.7147.6-78.1161.1000121.6
252H33.8Very low36.4Very low175 Ų175127.3 Ų127.381%0.8175%0.752SS**  trans62.4161.1140-67.761.9000121.4
253A30.6Very low36.7Very low74 Ų74128.2 Ų128.261%0.61276%0.755SS**  cis-168.7155.1-31.100000111.4
254Q31Very low37.6Very low197 Ų197130.1 Ų130.192%0.92176%0.763SS**  trans56.1163.5152.6-75.7177.3-20.500122.2
255I41.3Very low38.3Very low173 Ų173130.3 Ų130.389%0.88777%0.765SS**  trans-93.8140-173-67.5166.2000110.8
256G34.1Very low38.6Very low62 Ų62133.4 Ų133.464%0.63978%0.782SS**  trans-105.1155.416800000112.7
257P37.6Very low38.8Very low136 Ų136138.6 Ų138.688%0.88380%0.796SS**  trans-87.3171.8-158.134.1-38000116.9
258Q39.8Very low39.5Very low197 Ų197136 Ų13692%0.92179%0.789SS**  trans-72.4144.5-177.7-170.8171.2-5.200113.1
259G50.3Low39.7Very low64 Ų64137.5 Ų137.566%0.6679%0.792SS**  trans-99.7-177.6-171.300000116.7
260P42.5Very low40.3Very low140 Ų140137.8 Ų137.891%0.90979%0.786SS**PPolyproline II helixtrans-82.5163.3-17433.7-36.3000114.7
261Q46.6Very low40.6Very low199 Ų199134.9 Ų134.993%0.9379%0.786SS**PPolyproline II helixtrans-98.2149-168.7-167.7172.55.200113
262G53.5Low40.8Very low59 Ų59135.3 Ų135.361%0.60879%0.79SS**PPolyproline II helixtrans-102.8168.9-176.100000115.7
263P45.1Very low41.2Very low128 Ų128137.6 Ų137.683%0.83179%0.791SS**PPolyproline II helixtrans-84.2116.9-173.931.9-34000114.5
264I50.1Low41.5Very low171 Ų171137.5 Ų137.588%0.87780%0.797SS**  trans32.7127.4131.4-54.1174.5000118.4
265G48.4Very low41.8Very low67 Ų67132.4 Ų132.469%0.69178%0.783SS**  trans-128.4-170.3171.200000113.7
266F36.7Very low41.8Very low217 Ų217131.7 Ų131.795%0.95278%0.78SS**  trans-97.7127.7-178.1-84-83.8000114.5
267K42.5Very low42Very low199 Ų199131.6 Ų131.687%0.86578%0.778SS**  trans-47.8147.6159.8172-175.5177.8-173.10112.3
268G45.4Very low41.9Very low61 Ų61131.3 Ų131.363%0.62977%0.77SS**  cis120128.61.200000112.3
269D35.5Very low41.8Very low168 Ų168131.9 Ų131.990%0.89877%0.769SS**  trans-140.9163.7178.3-121.9-37.7000112.9
270K44Very low41.2Very low157 Ų157132.3 Ų132.368%0.68377%0.774SS**  trans-48.1153-170.9-80.5-176.4149.9-135.60116.3D272K270-D272 IonicContact NZ-OD1 2.8Å; K270-D272 PolarHBondContact NZ-OD1 3.08Å; K270-D272 IonicContact NZ-OD2 2.86Å; K270-D272 PolarHBondContact NZ-OD2 3.34Å
271G34.7Very low41.3Very low66 Ų66135.3 Ų135.368%0.6878%0.776SS**  cis87.287-4.700000116.5
272D33.6Very low41Very low131 Ų131127.8 Ų127.870%0.70175%0.748SS**  trans-130.397.7159.4-87.6-43.9000111.5K270K270-D272 IonicContact NZ-OD1 2.8Å; K270-D272 PolarHBondContact NZ-OD1 3.08Å; K270-D272 IonicContact NZ-OD2 2.86Å; K270-D272 PolarHBondContact NZ-OD2 3.34Å
273R41.2Very low40.3Very low224 Ų224127.1 Ų127.185%0.84574%0.741SS**  trans42123.7136.9-160.8170.6-156162.76.2120.7
274G37.1Very low40.4Very low71 Ų71131 Ų13173%0.73275%0.745SS**  trans-92.9150.4145.300000111.9
275S38Very low40Very low90 Ų90129.5 Ų129.563%0.62974%0.739SS**  trans-147.1110.7164.547.80000106
276I41Very low39.8Very low159 Ų159128.7 Ų128.782%0.81573%0.73SS**  66118.383.6-64.5171000110.4
277G39.3Very low40.2Very low59 Ų59124 Ų12461%0.60872%0.722SS**  cis-175.3-171.31.100000115.2
278D35.2Very low40.3Very low131 Ų131120.5 Ų120.570%0.70172%0.719SS**  trans48128136.7-31.3-39.1000118
279F36.9Very low39.9Very low208 Ų208121 Ų12191%0.91272%0.724SS**  cis-152.4161.237.8-96.1-98.1000113.2
280G38.3Very low40.3Very low74 Ų74119.9 Ų119.976%0.76372%0.717SS**  trans93.3116.813900000118.8
281E44.5Very low40.1Very low203 Ų203117.3 Ų117.395%0.94973%0.725SS**  trans-98140.4161-75.1-167.6126.500111.9
282A40.3Very low40.4Very low41 Ų41117.7 Ų117.734%0.33973%0.728SS.*  trans-17415713500000108.1Q1418 G1419 P1420A282-Q1418 CarbonylContact O-C 3.6Å; A282-G1419 WeakPolarHBondContact O-CA 3.16Å; A282-G1419 PolarHBondContact O-N 2.99Å; A282-P1420 HydrophobicContact CB-CG 3.62Å; A282-P1420 WeakPolarHBondContact O-CD 3.15Å
283G38.3Very low40.5Very low44 Ų44120.9 Ų120.945%0.45474%0.739SS.*  cis-176.5125.8-7.700000106Q1418G283-Q1418 PolarHBondContact O-NE2 3.18Å; G283-Q1418 PolarHBondContact O-OE1 2.76Å
284F48.6Very low40.2Very low209 Ų209120.2 Ų120.292%0.91774%0.742SS**  trans-41.3135.3-156-77.6-91.1000117.6Q1418F284-Q1418 VanDerWaalsContact CA-OE1 3.26Å
285D40.5Very low40Very low141 Ų141119.9 Ų119.975%0.75474%0.739SS**  trans-136.6161.2155.3-130.9-36000112Q1418D285-Q1418 VanDerWaalsContact N-NE2 3.19Å
286G44.5Very low39.8Very low49 Ų49124 Ų12451%0.50575%0.753SS.*  trans-68.9166.8-159.300000117.5P288G286-P288 WeakPolarHBondContact O-CD 3.17Å
287P45.7Very low39.8Very low119 Ų119122.4 Ų122.477%0.77375%0.753SS**  trans-104.986.3-169.338.8-35000116.8
288P43.2Very low39.6Very low126 Ų126123.1 Ų123.182%0.81876%0.761SS**  trans-78.4146.9156.434.8-32.7000110.2G286G286-P288 WeakPolarHBondContact O-CD 3.17Å
289G36.8Very low39.5Very low71 Ų71126.3 Ų126.373%0.73276%0.763SS**  cis178.2125.6-1000000107.6A291G289-A291 PolarHBondContact O-N 3.23Å
290I44.6Very low39.4Very low145 Ų145125.8 Ų125.874%0.74476%0.763SS**  trans-98.399.6-164.4-20.4174.1000113.7K1412I290-K1412 HydrophobicContact CD1-CD 4.09Å; I290-K1412 HydrophobicContact CD1-CG 3.97Å
291A39.4Very low39.4Very low103 Ų103126 Ų12685%0.85176%0.764SS**  trans-159.8129.1151.900000109.3G289G289-A291 PolarHBondContact O-N 3.23Å
292G40.9Very low39.5Very low73 Ų73124.6 Ų124.675%0.75376%0.764SS**  cis153.6138.4-5.900000110.7
293E36.1Very low39.6Very low198 Ų198134.5 Ų134.593%0.92579%0.792SS**  trans-119.5140.1-172.8-67.7-161.1137.400115.5
294K34.4Very low39.8Very low210 Ų210135.4 Ų135.491%0.91380%0.801SS**  trans-109.3140.9149.7-56.3166.4-176.71690104.8
295G33.7Very low39.6Very low65 Ų65131.5 Ų131.567%0.6780%0.797SS**  cis140.2176.36.200000110.2
296L33.4Very low40.2Very low175 Ų175131 Ų13192%0.91680%0.801SS**  trans70.4169.7175-48.7172.6000115.4
297P42.1Very low40Very low127 Ų127131.8 Ų131.883%0.82581%0.81SS**  cis-128.8167-30.125.4-5.1000114.3
298G34.9Very low39.8Very low74 Ų74134.2 Ų134.276%0.76382%0.816SS**  trans-170.8154.3166.600000112
299R33.2Very low40Very low198 Ų198135 Ų13575%0.74782%0.819SS**  trans-139.1140-174.5-86-179.767.4-175.7-1.3114.7
300H33.8Very low40.2Very low197 Ų197134.5 Ų134.591%0.91281%0.814SS**  trans71.3143.9149.7-64.80.5000118.8
301G39.3Very low39.7Very low77 Ų77137.8 Ų137.879%0.79482%0.823SS**  trans145.670.3172.600000114
302D46.4Very low39.9Very low174 Ų174138.7 Ų138.793%0.9382%0.82SS**  trans-75.4141.2173.9-60.5-62.6000111.6
303R42.1Very low39.7Very low250 Ų250138.7 Ų138.794%0.94382%0.82SS**  trans-144.5127.4160.7-154.4168.8-172.1168.72.4110.8
304G42.5Very low39.9Very low62 Ų62135.2 Ų135.264%0.63982%0.818SS**  trans-92.9-179.2-171.300000115.2
305P43.4Very low40.3Very low128 Ų128134.8 Ų134.883%0.83182%0.819SS**  trans-76.4145.4178.831.3-34.5000112.9
306P53.2Low40.5Very low129 Ų129134.5 Ų134.584%0.83882%0.816SS**  trans-80.2172.9167.4-2.321.5000112
307G40.9Very low40.6Very low67 Ų67133.1 Ų133.169%0.69181%0.805SS**  cis142.395-600000112.5
308D41.3Very low40.4Very low169 Ų169131.2 Ų131.290%0.90479%0.791SS**  trans-92.3127.2-174-58.7-31000112.5
309T47.8Very low40.8Very low144 Ų144129.1 Ų129.188%0.88377%0.769SS**  trans-79.1147.3170.5450000111.6
310G40.1Very low40.7Very low60 Ų60124.2 Ų124.262%0.61975%0.754SS**  cis129.5121.9-200000112.7
311F35.1Very low40.9Very low213 Ų213125.5 Ų125.593%0.93475%0.75SS**  trans-156.3159.9166.2-90.4-52.3000109.3
312P43.6Very low40.8Very low123 Ų123124.4 Ų124.480%0.79974%0.74SS**  -120.4162.6-117.540.7-33.2000117.4
313G36.7Very low40.6Very low73 Ų73122.2 Ų122.275%0.75373%0.727SS**  trans105.473.8137.200000119.7
314S39.6Very low41Very low125 Ų125117.3 Ų117.387%0.87472%0.719SS**  trans-162.679147.70.40000113.6
315Q44Very low40.9Very low200 Ų200117.3 Ų117.394%0.93572%0.72SS**  trans6.1124.3141.1-177.8174.6-18.300120.7
316G38.2Very low40.4Very low59 Ų59119 Ų11961%0.60872%0.716SS**  trans96.5109.7135.300000120.7
317E33.5Very low39.8Very low146 Ų146113.7 Ų113.768%0.68268%0.682SS**  trans60.2158.2156.2-66.2-156.1-172.600119.6P1388E317-P1388 CarbonylContact C-O 3.58Å; E317-P1388 VanDerWaalsContact C-O 3.25Å; E317-P1388 WeakPolarHBondContact CA-O 2.98Å; E317-P1388 PolarHBondContact N-O 2.93Å; E317-P1388 VanDerWaalsContact N-O 3.13Å; E317-P1388 WeakPolarHBondContact O-CD 3.46Å
318T38.5Very low39.7Very low87 Ų87112.6 Ų112.653%0.53467%0.671SS.*  cis-138.9135-21.82.50000110K320 R1387 G1389T318-K320 PolarHBondContact O-N 3.38Å; T318-R1387 WeakPolarHBondContact O-CA 3.42Å; T318-R1387 PolarHBondContact O-N 2.86Å; T318-G1389 CarbonylContact C-O 3.54Å; T318-G1389 VanDerWaalsContact CA-O 3.27Å; T318-G1389 WeakPolarHBondContact CA-O 3.48Å; T318-G1389 VanDerWaalsContact CG2-O 3.24Å; T318-G1389 WeakPolarHBondContact CG2-O 3.41Å
319G42.9Very low39.6Very low30 Ų30111.5 Ų111.531%0.30965%0.654SS.*  trans41.228.914700000126.5R321 R1387 G1389G319-R321 PolarHBondContact O-N 2.74Å; G319-R1387 PolarHBondContact O-NH2 2.72Å; G319-G1389 PolarHBondContact N-O 3.1Å
320K31.8Very low39Very low95 Ų95111.3 Ų111.341%0.41365%0.645SS.*  trans-15110.6177.4-97.7164.6-85.4-125.40113.9T318 G1386 R1387T318-K320 PolarHBondContact O-N 3.38Å; K320-G1386 WeakPolarHBondContact CE-O 3.3Å; K320-G1386 VanDerWaalsContact CG-C 3.47Å; K320-G1386 PolarHBondContact NZ-O 2.9Å; K320-R1387 HydrophobicContact CB-CB 3.48Å; K320-R1387 VanDerWaalsContact CB-CB 3.48Å; K320-R1387 HydrophobicContact CB-CG 3.99Å; K320-R1387 HydrophobicContact CD-CB 3.97Å; K320-R1387 HydrophobicContact CG-CB 3.65Å; K320-R1387 PolarHBondContact O-NE 2.89Å; K320-R1387 VanDerWaalsContact O-NE 3.08Å; K320-R1387 PolarHBondContact O-NH2 2.99Å
321R38.4Very low38.9Very low224 Ų224112.1 Ų112.185%0.84565%0.654SS**  -59.4150.3129.9-178.6-174.2-56.9-171.52.9108.5G319G319-R321 PolarHBondContact O-N 2.74Å
322G36.2Very low38.8Very low55 Ų55110 Ų11057%0.56765%0.647SS**  trans-157.1119.9174.300000113.3
323L43.2Very low38.7Very low127 Ų127112.2 Ų112.267%0.66565%0.651SS**  trans68.952.1153.9-43-174.6000117.5N1384L323-N1384 HydrophobicContact CD2-CB 3.52Å
324D50.8Low38.7Very low147 Ų147111.7 Ų111.779%0.78665%0.646SS**SBend-66.6142.6127.1-67.8-57.8000107.9
325G39.4Very low38.6Very low63 Ų63111.7 Ų111.765%0.64964%0.643SS**SBendtrans30.2117168.700000119.5P327G325-P327 WeakPolarHBondContact O-CB 3.46Å
326E33.7Very low38.4Very low162 Ų162111.5 Ų111.576%0.75764%0.639SS**SBendtrans-55143.1164.1-91.9-147.8110.500111.7F1381E326-F1381 VanDerWaalsContact O-CD1 3.23Å; E326-F1381 WeakPolarHBondContact O-CD1 3.33Å; E326-F1381 VanDerWaalsContact O-CE1 3.25Å; E326-F1381 WeakPolarHBondContact O-CE1 3.46Å
327P40.6Very low38.3Very low18 Ų18111.6 Ų111.612%0.11764%0.64CS.*  -134.9156.3-115.741.2-28.2000115.2G325 F1381 R1382 G1383 N1384G325-P327 WeakPolarHBondContact O-CB 3.46Å; P327-F1381 VanDerWaalsContact CA-CD1 3.48Å; P327-F1381 CarbonylContact O-C 3.57Å; P327-F1381 WeakPolarHBondContact O-CA 3.3Å; P327-F1381 WeakPolarHBondContact O-CB 3.29Å; P327-F1381 WeakPolarHBondContact O-CD1 3.18Å; P327-F1381 WeakPolarHBondContact O-CG 3.2Å; P327-R1382 VanDerWaalsContact O-CA 3.23Å; P327-R1382 WeakPolarHBondContact O-CA 3.43Å; P327-R1382 PolarHBondContact O-N 3.09Å; P327-G1383 VanDerWaalsContact CG-CA 3.45Å; P327-N1384 WeakPolarHBondContact CB-ND2 3.15Å
328G39.2Very low38.4Very low45 Ų45112.3 Ų112.346%0.46465%0.648SS.*  trans-63.4143.5-17500000116.6G1380 R1382G328-G1380 CarbonylContact C-O 2.78Å; G328-G1380 WeakPolarHBondContact CA-O 3.23Å; G328-R1382 CarbonylContact O-C 3.44Å
329R38.1Very low38.8Very low145 Ų145114.4 Ų114.455%0.54766%0.661SS.*  trans-66.4125175.9-93.1-166.4-163.6156.4-8.9110.8D1379 G1380 R1382R329-D1379 WeakPolarHBondContact CD-O 3.24Å; R329-D1379 PolarHBondContact NH1-O 3.14Å; R329-G1380 PolarHBondContact N-O 3.39Å; R329-R1382 VanDerWaalsContact CA-O 3.27Å; R329-R1382 WeakPolarHBondContact CA-O 3.39Å
330M34.6Very low38.5Very low140 Ų140115.4 Ų115.469%0.6967%0.672SS**  13.5109.3118.3-169.8168.27100117.8E332M330-E332 HydrophobicContact CG-CG 3.8Å; M330-E332 HydrophobicContact SD-CG 4.48Å
331G38.5Very low39Very low78 Ų78117 Ų11780%0.80469%0.691SS**  trans-132.8129.4141.300000106.3
332E33Very low39.3Very low168 Ų168111.8 Ų111.879%0.78569%0.686SS**  trans-100.3156-162.3-64.2-172.1119.400114.8M330M330-E332 HydrophobicContact CG-CG 3.8Å; M330-E332 HydrophobicContact SD-CG 4.48Å
333L41.5Very low39.8Very low169 Ų169113.2 Ų113.289%0.88570%0.701SS**  trans9.397.9164.2-158.672.4000119
334G37.6Very low39.2Very low62 Ų62114.6 Ų114.664%0.63971%0.708SS**  trans-81.6147.5148.700000111
335P37.6Very low38.5Very low125 Ų125114.1 Ų114.181%0.81271%0.705SS**  trans-83.9172.5-166.933.9-37.7000115.3G337P335-G337 PolarHBondContact O-N 3.07Å
336K40Very low38.8Very low197 Ų197114.5 Ų114.586%0.85771%0.709SS**  trans-64.7111.4171.1173.3-167172-171.30111.6
337G34.6Very low38.8Very low61 Ų61114.9 Ų114.963%0.62971%0.711SS**  trans-166.4143.216300000108.7P335P335-G337 PolarHBondContact O-N 3.07Å
338D36.2Very low38.8Very low160 Ų160119.8 Ų119.886%0.85673%0.727SS**  cis-111.8155.110-67.1-49.4000114.4
339T46.7Very low38.6Very low132 Ų132120.4 Ų120.481%0.8173%0.733SS**  trans-102.7116157.3-57.60000108.5
340G37.4Very low38.3Very low51 Ų51116 Ų11653%0.52672%0.723SS.*  trans111.1175.5178.600000113.4
341P42Very low38.5Very low128 Ų128115.5 Ų115.583%0.83171%0.714SS**SBendcis-71168.6029.9-35.7000113.9
342P44.1Very low38.3Very low114 Ų114112.4 Ų112.474%0.7468%0.682SS**  trans-72167.2-166.3-20.534.8000115.4I344P342-I344 PolarHBondContact O-N 2.85Å
343G46.7Very low38.2Very low85 Ų85113.2 Ų113.288%0.87669%0.686SS**  trans-70.193.4172.800000112.1
344I31.8Very low38.1Very low156 Ų156114 Ų11480%0.868%0.682SS**  trans-78.6119.9169.145.1172.9000111.5P342P342-I344 PolarHBondContact O-N 2.85Å
345D34.7Very low38Very low138 Ų138113.9 Ų113.974%0.73868%0.681SS**  trans4.3115160.6-58.1-57.6000119.2E347D345-E347 PolarHBondContact O-N 3.43Å
346G46.5Very low38.4Very low70 Ų70115.7 Ų115.772%0.72268%0.676SS**  66.2-1277.200000118.7R348G346-R348 PolarHBondContact O-N 3.34Å
347E34.6Very low38.3Very low171 Ų171112.5 Ų112.580%0.79968%0.676SS**  trans-76.293.5-175.3-96.7-70.897.100112.6D345 G349D345-E347 PolarHBondContact O-N 3.43Å; E347-G349 PolarHBondContact O-N 3.34Å
348R38.8Very low38.4Very low121 Ų121112.8 Ų112.846%0.45768%0.679SS.*  trans-40.582.4165.4-71.3159.4156-165.6-5114.6W164 E166 G346W164-R348 HydrophobicContact CE3-CB 4.06Å; W164-R348 HydrophobicContact CH2-CB 4.32Å; W164-R348 HydrophobicContact CH2-CG 4.05Å; W164-R348 VanDerWaalsContact CH2-NH1 3.34Å; W164-R348 HydrophobicContact CZ3-CB 3.64Å; W164-R348 HydrophobicContact CZ3-CG 3.76Å; E166-R348 IonicContact OE1-CZ 3.81Å; E166-R348 IonicContact OE1-NH1 2.79Å; E166-R348 PolarHBondContact OE1-NH1 3.33Å; E166-R348 IonicContact OE1-NH2 3.02Å; E166-R348 IonicContact OE2-CZ 3.22Å; E166-R348 IonicContact OE2-NH1 2.69Å; E166-R348 PolarHBondContact OE2-NH1 2.82Å; E166-R348 IonicContact OE2-NH2 3.51Å; G346-R348 PolarHBondContact O-N 3.34Å
349G36.1Very low38.5Very low57 Ų57108.5 Ų108.559%0.58867%0.672SS**  trans-47.5117.9147.600000109.7E347E347-G349 PolarHBondContact O-N 3.34Å
350P32Very low38Very low54 Ų54110.3 Ų110.335%0.35167%0.665SS.*  trans-54.2173.2-141.4-39.341.4000124.7P162 G163 W164P162-P350 VanDerWaalsContact CB-C 3.47Å; P162-P350 HydrophobicContact CB-CB 3.85Å; P162-P350 VanDerWaalsContact CB-N 3.33Å; P162-P350 WeakPolarHBondContact CB-O 3.46Å; P162-P350 HydrophobicContact CG-CB 4.38Å; G163-P350 VanDerWaalsContact CA-C 3.4Å; W164-P350 HydrophobicContact CB-CB 3.87Å; W164-P350 HydrophobicContact CE3-CB 4.43Å
351R39.1Very low38.2Very low128 Ų128110.5 Ų110.548%0.48366%0.656SS.*  trans-110.7-84.8-177.8-174.3170.996.2-17217117.9G163 W164 A165 E166G163-R351 VanDerWaalsContact CA-N 3.35Å; W164-R351 HydrophobicContact CD2-CB 4.11Å; W164-R351 HydrophobicContact CE3-CB 3.35Å; W164-R351 HydrophobicContact CH2-CB 3.77Å; W164-R351 HydrophobicContact CH2-CG 4.46Å; W164-R351 HydrophobicContact CZ3-CB 3.16Å; W164-R351 HydrophobicContact CZ3-CG 4.24Å; A165-R351 PolarHBondContact O-NE 2.87Å; A165-R351 PolarHBondContact O-NH2 2.85Å; E166-R351 PolarHBondContact O-NH2 2.93Å; E166-R351 VanDerWaalsContact O-NH2 3.09Å; E166-R351 IonicContact OE1-CZ 3.6Å; E166-R351 IonicContact OE1-NH1 2.58Å; E166-R351 PolarHBondContact OE1-NH1 2.89Å; E166-R351 IonicContact OE1-NH2 3.57Å; E166-R351 PolarHBondContact OE1-NH2 3.3Å
352G33.2Very low38.1Very low14 Ų14109.2 Ų109.214%0.14464%0.639CS.*  trans-73.5-173.3-176.300000115.5G163 W164 A165G163-G352 CarbonylContact C-O 3.59Å; G163-G352 WeakPolarHBondContact CA-O 3.41Å; W164-G352 VanDerWaalsContact C-C 3.45Å; W164-G352 CarbonylContact C-O 3.49Å; W164-G352 PolarHBondContact N-O 2.86Å; W164-G352 CarbonylContact O-C 2.98Å; W164-G352 VanDerWaalsContact O-CA 3.28Å; W164-G352 WeakPolarHBondContact O-CA 3.15Å; W164-G352 VanDerWaalsContact O-O 3.04Å; A165-G352 VanDerWaalsContact N-N 3.11Å
353Q31.3Very low37.6Very low185 Ų185107.6 Ų107.686%0.86463%0.629SS**  cis-77.3115.312-65.1-173.54.200113.2W164 G355W164-Q353 PolarHBondContact O-N 3.14Å; Q353-G355 PolarHBondContact O-N 3.29Å; Q353-G355 VanDerWaalsContact O-N 3.15Å
354K38.3Very low37.2Very low184 Ų184107.7 Ų107.780%0.862%0.622SS**  trans-78.875.5146.5179.7-161.6167.9-171.90106.9K356K354-K356 VanDerWaalsContact C-N 3.32Å; K354-K356 PolarHBondContact O-N 2.85Å
355G36.9Very low37.3Very low61 Ų61104 Ų10463%0.62962%0.622SS**  trans-85.859.4-179.200000113.2Q353Q353-G355 PolarHBondContact O-N 3.29Å; Q353-G355 VanDerWaalsContact O-N 3.15Å
356K45.6Very low37.8Very low162 Ų162103.2 Ų103.270%0.70463%0.625SS**  trans-77145.2165.6-72.8-160.5174.3-158.60109.4K354K354-K356 VanDerWaalsContact C-N 3.32Å; K354-K356 PolarHBondContact O-N 2.85Å
357P36.8Very low37.3Very low131 Ų131108.4 Ų108.485%0.85163%0.628SS**  -127157111.236.7-32.2000112.7
358G37.7Very low37.5Very low67 Ų67103.3 Ų103.369%0.69162%0.621SS**  trans70.1158.917800000115.4
359G38.5Very low37.3Very low69 Ų69104.8 Ų104.871%0.71164%0.636SS**  cis-140.9113.3-14.700000109.6
360Y36Very low37.3Very low170 Ų170106 Ų10667%0.66763%0.625SS**  trans-47.7164.6163.6-94-133.2000114.4N1132Y360-N1132 WeakPolarHBondContact CB-OD1 3.03Å; Y360-N1132 PolarHBondContact O-OD1 3.07Å
361V41.4Very low37.6Very low55 Ų55106 Ų10633%0.33364%0.636SS.*  cis178.8156.9-24.189.50000110.8N1132 K1133V361-N1132 HydrophobicContact CG1-CB 4.2Å; V361-N1132 PolarHBondContact N-OD1 2.89Å; V361-N1132 VanDerWaalsContact N-OD1 3.12Å; V361-N1132 WeakPolarHBondContact O-CA 3.46Å; V361-K1133 HydrophobicContact CG1-CB 3.7Å; V361-K1133 HydrophobicContact CG1-CD 3.98Å; V361-K1133 HydrophobicContact CG1-CG 4.43Å; V361-K1133 PolarHBondContact O-N 2.76Å
362H39.3Very low38.2Very low101 Ų101105.4 Ų105.447%0.46864%0.641SS.*  trans74.4168.8161.4-86.5-128.7000119.8K1133H362-K1133 HydrophobicContact CB-CB 4.44Å; H362-K1133 VanDerWaalsContact CE1-CE 3.43Å; H362-K1133 WeakPolarHBondContact CE1-CE 3.29Å; H362-K1133 WeakPolarHBondContact NE2-CD 3.46Å; H362-K1133 VanDerWaalsContact NE2-CE 3.33Å; H362-K1133 WeakPolarHBondContact NE2-CE 3.45Å; H362-K1133 PolarHBondContact NE2-NZ 3.01Å
363C34.6Very low38.5Very low80 Ų80108.3 Ų108.354%0.54166%0.658SS.*  cis-124157.3-6.7-98.40000109.2G1134C363-G1134 PolarHBondContact SG-O 3.11Å
364A38.5Very low38.9Very low88 Ų88102.8 Ų102.873%0.72765%0.65SS**  cis94.1109.523.800000116.3
365G33.9Very low39.4Very low78 Ų78104 Ų10480%0.80466%0.656SS**  trans157.5127.6169.400000116.2
366P43.7Very low39.6Very low121 Ų121106.9 Ų106.979%0.78666%0.663SS**  trans-137.9178.2-173.643.4-28.3000118.8
367K37.3Very low39.1Very low180 Ų180102.2 Ų102.278%0.78366%0.661SS**  trans86.9145.2170.1-58.1177.5175.7179.60117.3
368G39Very low39.1Very low64 Ų64104.6 Ų104.666%0.6667%0.666SS**  cis152.2157-14.200000116
369I33.4Very low39.1Very low152 Ų152108.6 Ų108.678%0.77966%0.664SS**  trans54.8153.5159.360.2168.6000121.3
370K37.7Very low39Very low82 Ų82108.4 Ų108.436%0.35766%0.662SS.*  cis-179.2145.7-27.8-176-176.8-71146.60108P418 D794K370-P418 WeakPolarHBondContact CD-O 3.23Å; K370-P418 VanDerWaalsContact CE-O 3.31Å; K370-P418 WeakPolarHBondContact CE-O 3.42Å; K370-P418 PolarHBondContact NZ-O 3.07Å; K370-D794 IonicContact NZ-OD2 2.73Å; K370-D794 PolarHBondContact NZ-OD2 2.88Å
371G37.3Very low38.9Very low55 Ų55105.6 Ų105.657%0.56766%0.658SS**  trans166.8139.316500000115.4
372L51.3Low38.8Very low114 Ų114107.8 Ų107.860%0.59768%0.676SS**  trans-147.2130.5-179.1-123.4174.2000111.1L420L372-L420 HydrophobicContact CB-CD2 3.58Å; L372-L420 WeakPolarHBondContact O-CB 3.4Å; L372-L420 WeakPolarHBondContact O-CD2 3.29Å
373P40.8Very low38.6Very low76 Ų76104.6 Ų104.649%0.49467%0.67SS.*  trans-143.6170.5145.742.1-30.8000112.5P421 G422P373-P421 WeakPolarHBondContact CD-O 3.48Å; P373-P421 VanDerWaalsContact CG-O 3.26Å; P373-P421 WeakPolarHBondContact CG-O 3.32Å; P373-G422 VanDerWaalsContact CB-CA 3.47Å
374G38.6Very low38.6Very low68 Ų68105.8 Ų105.870%0.70167%0.668SS**  cis166114.6-4.700000109.8
375F48.5Very low38.8Very low211 Ų211104.7 Ų104.793%0.92565%0.652SS**  trans-52.3146.3-170.3-50.6-87.9000115.4
376P42.3Very low39Very low120 Ų120103.1 Ų103.178%0.77964%0.636SS**  -146.1174.577.538.9-21.4000115.1
377G35.1Very low38.6Very low65 Ų65106.9 Ų106.967%0.6764%0.635SS**  cis159.7137.5-10.400000113.1
378L36.2Very low38.6Very low180 Ų180105.3 Ų105.394%0.94263%0.63SS**  trans60.5141.1176.6-67171.4000116.6
379K36.9Very low38.5Very low152 Ų152105 Ų10566%0.66163%0.627SS**  cis-159.7145.5-0.8172.1-169.5175-164.60108G1158 P1159K379-G1158 VanDerWaalsContact CE-O 3.24Å; K379-G1158 WeakPolarHBondContact CE-O 3.49Å; K379-G1158 PolarHBondContact NZ-O 3.05Å; K379-P1159 PolarHBondContact NZ-O 3.25Å
380G36.3Very low38.5Very low64 Ų64104.9 Ų104.966%0.6663%0.632SS**  trans113.199.1155.200000119.8
381L35.5Very low38.7Very low112 Ų112106.7 Ų106.759%0.58665%0.653SS**  trans49.6146.8146.9-70.2113.5000124.7G1155 P1157L381-G1155 WeakPolarHBondContact CD2-O 3.26Å; L381-G1155 WeakPolarHBondContact CG-O 3.5Å; L381-P1157 HydrophobicContact CD1-CB 3.84Å; L381-P1157 HydrophobicContact CD1-CG 3.9Å; L381-P1157 HydrophobicContact CD2-CG 4Å
382S38.1Very low38.7Very low101 Ų101107.5 Ų107.571%0.70666%0.661SS**  trans103.6150.8151.6-142.10000121
383G35.4Very low38.2Very low34 Ų34108 Ų10835%0.35167%0.669SS.*  trans-129.7-139.7-179.800000111.6L1153G383-L1153 VanDerWaalsContact N-CD2 3.28Å
384E35.1Very low38.2Very low105 Ų105112 Ų11249%0.49169%0.686SS.*  cis-156.4147.911.6-167.3-163.5-141.200112.7R1151 G1152 L1153E384-R1151 WeakPolarHBondContact O-CD 3.46Å; E384-R1151 PolarHBondContact O-NH1 3.19Å; E384-G1152 WeakPolarHBondContact CA-O 3.48Å; E384-L1153 HydrophobicContact CB-CB 4.33Å; E384-L1153 HydrophobicContact CB-CD1 3.98Å; E384-L1153 HydrophobicContact CB-CG 3.85Å; E384-L1153 HydrophobicContact CG-CB 3.96Å; E384-L1153 HydrophobicContact CG-CD1 3.87Å; E384-L1153 HydrophobicContact CG-CG 3.93Å
385V42.1Very low38.3Very low64 Ų64112.2 Ų112.239%0.38869%0.688SS.*  trans101.4117.7159.8-174.70000119.4R1151 G1152V385-R1151 WeakPolarHBondContact O-CB 3.24Å; V385-G1152 PolarHBondContact N-O 3.2Å
386G38.9Very low37.6Very low46 Ų46109.6 Ų109.647%0.47468%0.684SS.*  78.5163.5123.800000119.7
387R35.5Very low37.2Very low200 Ų200110.6 Ų110.676%0.75568%0.676SS**  cis-157.2169.610.4-73.7-169.8162.3-127.12.1108.7
388E37.5Very low37.3Very low147 Ų147110.4 Ų110.469%0.68767%0.674SS**  cis-172.4174.7-17.8-99.3157.1-163.600106.5
389G35.5Very low37.1Very low57 Ų57107.1 Ų107.159%0.58866%0.657SS**  cis166.9162.3-6.400000112.7
390V34.8Very low37.1Very low149 Ų149106.9 Ų106.990%0.90367%0.668SS**  trans56.9167163.7-82.70000120.1
391P41.8Very low36.9Very low121 Ų121107.4 Ų107.479%0.78667%0.674SS**  cis-128.1162.4-525.9-3.8000117.6
392G36.8Very low36.6Very low71 Ų71110.6 Ų110.673%0.73269%0.688SS**  trans87.8143.9155.500000117.8
393T40.6Very low36.5Very low126 Ų126114.9 Ų114.977%0.77369%0.694SS**  cis-152.8156.9-9.147.50000110.5
394D40.3Very low36.6Very low159 Ų159116.3 Ų116.385%0.8571%0.709SS**  trans11.7145.8147.5-38.6-32000121
395G40.8Very low36.5Very low72 Ų72117.4 Ų117.474%0.74272%0.718SS**  cis173.7170.40.600000114.2
396D34.3Very low36.4Very low157 Ų157124.7 Ų124.784%0.8474%0.739SS**  trans41.3109.6160.5-78.15.9000124.6
397K34.2Very low36.2Very low141 Ų141125.7 Ų125.761%0.61375%0.749SS**  59.9118.7114.1-163.9-165.1-171.7-153.70121.3Q90Q90-K397 PolarHBondContact O-NZ 3.21Å
398G37.3Very low36.1Very low60 Ų60123.3 Ų123.362%0.61975%0.75SS**  trans163139.1153.700000115.2
399D32Very low36.4Very low111 Ų111122.5 Ų122.559%0.59476%0.757SS**  trans-97.7140-178.4-65.8-84000114K93K93-D399 WeakPolarHBondContact CE-OD2 3.22Å; K93-D399 IonicContact NZ-OD1 2.62Å; K93-D399 PolarHBondContact NZ-OD1 2.91Å; K93-D399 IonicContact NZ-OD2 3.66Å; K93-D399 PolarHBondContact NZ-OD2 3.06Å
400T36Very low36.2Very low147 Ų147123.1 Ų123.190%0.90276%0.764SS**  trans72.2113.6155.5-37.40000119.2
401G33.6Very low36.2Very low75 Ų75125.7 Ų125.777%0.77376%0.757SS**  trans177.7102.7168.300000115
402M29.2Very low35.8Very low180 Ų180129.4 Ų129.489%0.88776%0.756SS**  trans-64.4133.2-163.7-61.6170.164.400118.4
403K34.1Very low35.3Very low190 Ų190131.7 Ų131.783%0.82676%0.759SS**  70.3124.5129.5-173.3-153.3172-159.30121.8
404G37.6Very low35.1Very low65 Ų65131.2 Ų131.267%0.6776%0.756SS**  trans114.9145.9149.700000114.3
405D33Very low34.7Very low127 Ų127131.2 Ų131.268%0.67976%0.756SS**  cis-147.8-155.8-3.4-111.7-14.9000111.6
406R40.4Very low34.4Very low217 Ų217130.2 Ų130.282%0.81975%0.745SS**  trans-109.4139.4-150.8175.7-166.2-170-178.95.1116.5
407G36Very low34.3Very low68 Ų68129.9 Ų129.970%0.70174%0.739SS**  trans-150.894.8161.300000112.2
408I32.6Very low34.5Very low150 Ų150124.8 Ų124.877%0.76972%0.72SS**  92.2136.996.1-77.1170.7000112.8
409P43.7Very low34.3Very low129 Ų129123.9 Ų123.984%0.83871%0.711SS**  trans-126.2159.2-152.939-22.5000117.5
410G31.2Very low35Very low70 Ų70124.9 Ų124.972%0.72272%0.716SS**  trans171.1150.616200000113.8
411R35Very low35.2Very low204 Ų204122.7 Ų122.777%0.7770%0.704SS**  cis-156.1147.2-3.3-67.6-171.7172.6-166.2-2.2111.8
412R33.3Very low35.7Very low199 Ų199121.5 Ų121.575%0.75169%0.692SS**  trans68.4118.4152.9-70.2179.4-72.4-151.45.1117.9
413C27.1Very low36.4Very low118 Ų118118.7 Ų118.780%0.79769%0.687SS**  82.3138.990.4-63.50000113
414T35.8Very low36.4Very low117 Ų117119.8 Ų119.872%0.71869%0.692SS**  cis-147146.617.449.50000114.7
415D30.9Very low36.4Very low159 Ų159119.6 Ų119.685%0.8569%0.69SS**  trans30127.7137.8-42.9-33.7000124.6
416G34.3Very low36.7Very low50 Ų50120.9 Ų120.952%0.51570%0.697SS.*  102.6110.5127.400000122.1
417Q32.5Very low36.5Very low151 Ų151119.7 Ų119.771%0.70670%0.703SS**  trans-150.6134.3160.2-78.2-154.612.200115.2
418P39Very low36.6Very low34 Ų34119.6 Ų119.622%0.22170%0.702CS.*  -153.4168.6126.439.5-22.7000113.2K370 D794 F796K370-P418 WeakPolarHBondContact CD-O 3.23Å; K370-P418 VanDerWaalsContact CE-O 3.31Å; K370-P418 WeakPolarHBondContact CE-O 3.42Å; K370-P418 PolarHBondContact NZ-O 3.07Å; P418-D794 VanDerWaalsContact CD-CG 3.43Å; P418-D794 WeakPolarHBondContact CD-OD1 3.26Å; P418-D794 VanDerWaalsContact CD-OD2 3.28Å; P418-D794 WeakPolarHBondContact CD-OD2 3.07Å; P418-F796 HydrophobicContact CB-CD1 3.71Å; P418-F796 HydrophobicContact CB-CE1 3.57Å; P418-F796 HydrophobicContact CB-CE2 4.4Å; P418-F796 HydrophobicContact CB-CG 4.19Å; P418-F796 HydrophobicContact CB-CZ 3.94Å; P418-F796 HydrophobicContact CG-CD1 3.7Å; P418-F796 HydrophobicContact CG-CD2 3.61Å; P418-F796 HydrophobicContact CG-CE1 3.61Å; P418-F796 HydrophobicContact CG-CE2 3.51Å; P418-F796 HydrophobicContact CG-CG 3.69Å; P418-F796 HydrophobicContact CG-CZ 3.51Å
419G34.2Very low36.8Very low41 Ų41117.4 Ų117.442%0.42370%0.7SS.*  cis-155.6-106.4-300000110.3
420L46.3Very low37.1Very low132 Ų132116 Ų11669%0.69169%0.691SS**  trans-126.1159.1-167.6-47.7177.8000112.4L372L372-L420 HydrophobicContact CB-CD2 3.58Å; L372-L420 WeakPolarHBondContact O-CB 3.4Å; L372-L420 WeakPolarHBondContact O-CD2 3.29Å
421P39.2Very low37.5Very low100 Ų100114.9 Ų114.965%0.64968%0.679SS**  -146.5173.9106.534.5-15.8000117P373P373-P421 WeakPolarHBondContact CD-O 3.48Å; P373-P421 VanDerWaalsContact CG-O 3.26Å; P373-P421 WeakPolarHBondContact CG-O 3.32Å
422G44.8Very low37.6Very low51 Ų51111.9 Ų111.953%0.52668%0.677SS.*  trans-80.8-154.8-170.900000119.1P373P373-G422 VanDerWaalsContact CB-CA 3.47Å
423P43.7Very low38.1Very low121 Ų121113.2 Ų113.279%0.78668%0.682SS**  cis-150.6-167.2-13.342.7-21.9000117.7
424K34.4Very low39.1Very low212 Ų212109.8 Ų109.892%0.92267%0.666SS**  trans74.9162.7167.1-85.3-172.1174.2-175.50119.1
425G36.6Very low39.2Very low62 Ų62110 Ų11064%0.63967%0.67SS**  cis179.3178-1.300000115.3
426N39.3Very low40.4Very low153 Ų153108.5 Ų108.582%0.81867%0.669SS**  trans-119.7173.8-168.6-55.98.2000113.1
427M37.1Very low41Very low192 Ų192109.6 Ų109.695%0.94668%0.68SS**  -178.9157.150.5178.4-170.1-66.200112.8
428G38.7Very low41Very low66 Ų66109.4 Ų109.468%0.6869%0.69SS**  trans151.5150.716100000119.1
429S36.7Very low41.1Very low105 Ų105112.6 Ų112.673%0.73472%0.718SS**  trans-168175-173.255.60000113.4
430P49.8Very low41.2Very low99 Ų99114 Ų11464%0.64373%0.734SS**  cis-133.9158.5-39.738.5-22.1000117.4D1165P430-D1165 VanDerWaalsContact CA-CB 3.48Å; P430-D1165 VanDerWaalsContact CA-CG 3.42Å; P430-D1165 HydrophobicContact CB-CB 3.59Å
431G39.7Very low41.1Very low46 Ų46116.1 Ų116.147%0.47474%0.744SS.*  trans134.6148.9157.500000117D1165G431-D1165 PolarHBondContact N-OD1 2.91Å; G431-D1165 PolarHBondContact N-OD2 3.36Å
432I37.2Very low41.5Very low142 Ų142117.3 Ų117.373%0.72875%0.752SS**  cis-155.7160.9-5-47.5179.4000110.3
433R43.1Very low41.5Very low226 Ų226118.7 Ų118.785%0.85377%0.767SS**  trans-64.7163.1170.3167.7-173.7168.8-162.7-3.9114.5
434G48.3Very low41.2Very low46 Ų46119 Ų11947%0.47477%0.772SS.*  cis131.2109.6-700000116.6
435P38Very low41.9Very low121 Ų121115.7 Ų115.779%0.78677%0.769SS**  trans-106.6168178.739.8-33.2000116
436P55.2Low42Very low129 Ų129115.9 Ų115.984%0.83877%0.771SS**  trans-123.5175.6-166.842.9-29.9000117.2
437G46.4Very low41.6Very low72 Ų72116.4 Ų116.474%0.74277%0.773SS**  trans102.3153.2167.600000115.3
438T33Very low41.4Very low148 Ų148119.3 Ų119.391%0.90877%0.773SS**  cis-150.2174.53.850.70000113.6
439A41.5Very low41.3Very low100 Ų100119.5 Ų119.583%0.82678%0.775SS**  trans-51.1177.8174.800000117.3
440G37.2Very low41.6Very low72 Ų72123.8 Ų123.874%0.74278%0.784SS**  cis-174.7-146.114.900000118.5
441L43.6Very low40.8Very low175 Ų175125.1 Ų125.192%0.91679%0.792SS**  trans-91.1-165.2-171.1-48.4147.2000110.8
442P47.3Very low40.5Very low126 Ų126126.2 Ų126.282%0.81880%0.804SS**  cis-135.4-175.5-14.739.3-20.8000115
443G44.7Very low40.3Very low80 Ų80128 Ų12883%0.82581%0.809SS**  trans102.5152161.900000115.6
444S38.1Very low39.9Very low127 Ų127123 Ų12389%0.88880%0.803SS**  cis-136.8179.516.960.90000114.5
445T48.2Very low39.3Very low143 Ų143127.4 Ų127.488%0.87781%0.814SS**  trans-106.8145-176.9-48.80000112.6
446G39.5Very low39.4Very low65 Ų65128.1 Ų128.167%0.6781%0.812SS**  trans169.4102.4165.600000110.7
447L30.8Very low38.9Very low164 Ų164126.4 Ų126.486%0.85980%0.803SS**  82120.870.6-80.2175.4000115.1
448R32.1Very low38.6Very low254 Ų254127.5 Ų127.596%0.95881%0.805SS**  trans76.3134.2148.4-145.8172.2-169.81691.5117
449G37.9Very low38.5Very low70 Ų70127.7 Ų127.772%0.72280%0.8SS**  cis-176.7-177.2-400000115.3
450Q41.7Very low38.4Very low194 Ų194128.8 Ų128.891%0.90780%0.798SS**  trans-64.3164.9167.2-62.1165-37.700110.7
451P34.4Very low38.2Very low127 Ų127128.6 Ų128.683%0.82580%0.796SS**  cis-109.7-17742.90.524.6000113.6
452G31.6Very low38.2Very low70 Ų70126.5 Ų126.572%0.72279%0.793SS**  cis130.3162.918.300000108.8
453E34.8Very low37.7Very low180 Ų180126.2 Ų126.284%0.84179%0.794SS**  cis-151.5171.4-6.7-106.2-172.9126.300110.9
454V33.8Very low37.4Very low119 Ų119125.7 Ų125.772%0.72179%0.788SS**  trans-38.6175.6164.2-115.80000115.5
455I35.1Very low37.5Very low139 Ų139127.4 Ų127.471%0.71379%0.788SS**  cis-153162.239.31.5175.6000107.8
456D40.5Very low37.1Very low137 Ų137127 Ų12773%0.73379%0.788SS**  cis-158.5166.443.8-106.3-46.3000108.8
457S44.8Very low37Very low92 Ų92127.7 Ų127.764%0.64380%0.795SS**SBendcis-160.9157.1-19.3-122.30000105.9
458A39.7Very low37.2Very low95 Ų95124.6 Ų124.679%0.78579%0.793SS**  cis-139.3178.726.300000114.2
459L32.1Very low37.7Very low153 Ų153118.6 Ų118.680%0.80179%0.787SS**  trans-108.3-168.4-167.3-59.6138.6000111
460P38.4Very low37.6Very low123 Ų123119.2 Ų119.280%0.79979%0.793SS**  cis-129.8-175.3-12.321.34.6000114.6
461G34.1Very low37.5Very low68 Ų68115.8 Ų115.870%0.70179%0.79SS**  trans-90.6-143.316900000113.6
462P43.6Very low37.5Very low130 Ų130120.2 Ų120.284%0.84480%0.797SS**  cis-143.3-166.24.343-23000116.2
463S37Very low38Very low121 Ų121120.5 Ų120.585%0.84680%0.8SS**  trans90.1142.8149.4-149.30000121.7
464G36.9Very low38.2Very low68 Ų68120.6 Ų120.670%0.70181%0.805SS**  trans97.8100.6135.900000120.5
465N41.2Very low38.3Very low163 Ų163124 Ų12487%0.87281%0.81SS**  trans-64151.7147.5-69.2-35.5000109
466P39.8Very low38.7Very low135 Ų135120.7 Ų120.788%0.87781%0.811SS**  cis-147.3-179.342.642.5-23.3000117
467G36.3Very low38.4Very low80 Ų80121.3 Ų121.383%0.82581%0.813SS**  trans132.9119.3157.900000115.8
468A35.1Very low38.3Very low99 Ų99122.9 Ų122.982%0.81882%0.821SS**  trans-89.9166.7166.500000110
469P43.9Very low38Very low128 Ų128121.5 Ų121.583%0.83182%0.816SS**  cis-139.5167.316.641.4-23.6000117.9
470G36Very low38.3Very low83 Ų83122 Ų12286%0.85682%0.819SS**  trans92.683.3147.600000117.7
471S37.8Very low38.2Very low121 Ų121122.2 Ų122.285%0.84682%0.824SS**  trans-128.4143.8168.556.50000112.4
472F36Very low38.6Very low221 Ų221122 Ų12297%0.96982%0.822SS**  trans-92.3149.8174.5-82.1-98.8000111.1
473G40.3Very low38.2Very low75 Ų75123.7 Ų123.777%0.77382%0.824SS**  trans116.595.2150.700000116.4
474L39.1Very low38.5Very low183 Ų183124 Ų12496%0.95882%0.823SS**  trans-120.7141.3149.6-82.1174.4000109.8
475K37.3Very low38.8Very low189 Ų189123.9 Ų123.982%0.82282%0.822SS**  trans-122.3114.8175.7178.9-176.2-179.9-1740103.7
476G42.9Very low38.6Very low70 Ų70125 Ų12572%0.72282%0.822SS**  105.4157.771.300000107.5
477L34.6Very low38.3Very low151 Ų151127.8 Ų127.879%0.79182%0.82SS**  cis-161.3-156.313.7-84.9162000106.2
478P43.1Very low38.4Very low125 Ų125126.7 Ų126.781%0.81281%0.808SS**  -111.9-171.7-66.135.6-20.1000110.8
479G33.1Very low38.5Very low65 Ų65132.2 Ų132.267%0.6781%0.814SS**  cis-128.7-152.7-3.800000111.2
480D37.2Very low38.3Very low164 Ų164131.6 Ų131.688%0.87781%0.81SS**  cis-124.81729.3-78.2-37.2000113.3G482D480-G482 PolarHBondContact O-N 2.64Å
481S37.9Very low38.5Very low127 Ų127131 Ų13189%0.88880%0.804SS**  trans-71.393.8-168.1-55.80000114.7
482G41.7Very low38.3Very low64 Ų64130.7 Ų130.766%0.6681%0.809SS**  trans-71146.3148.600000110.9D480D480-G482 PolarHBondContact O-N 2.64Å
483D34.3Very low38.4Very low165 Ų165123.6 Ų123.688%0.88280%0.799SS**  trans-59.6135.4176.2-80.4-53.6000111G485D483-G485 PolarHBondContact O-N 3.36Å
484P44.4Very low38.1Very low128 Ų128128.4 Ų128.483%0.83180%0.801SS**  trans-62.1111-171-27.136000114.7
485G43.5Very low37.9Very low66 Ų66130.1 Ų130.168%0.6879%0.794SS**  trans-81141.4165.500000112.5D483D483-G485 PolarHBondContact O-N 3.36Å
486E37.1Very low38Very low187 Ų187124 Ų12487%0.87479%0.786SS**  trans67.3153.9170.8-43.5-157.414100115.5
487K32.9Very low38.2Very low193 Ų193127.1 Ų127.184%0.83979%0.793SS**  -127.8133.354.3-79-168.5173.6-172.20116.2
488G37.6Very low38.3Very low56 Ų56124.7 Ų124.758%0.57780%0.795SS**  trans-74.7163142.400000111.3P490G488-P490 WeakPolarHBondContact O-CD 3.39Å
489F38.6Very low38.5Very low215 Ų215122 Ų12294%0.94379%0.79SS**  trans-73.1139.1-175.1-74.5-99.7000113.4
490P39.1Very low38.7Very low115 Ų115125.4 Ų125.475%0.74780%0.8SS**  -132.1153.912937.2-29.1000112.2G488G488-P490 WeakPolarHBondContact O-CD 3.39Å
491G39.9Very low39Very low70 Ų70129.5 Ų129.572%0.72280%0.803SS**  cis143.8137-4.100000112.5
492A34.9Very low39.6Very low116 Ų116126 Ų12696%0.95979%0.787SS**  trans66.8149.9-176.100000116.2
493G36.6Very low39.8Very low72 Ų72129 Ų12974%0.74280%0.795SS**  cis-145.2175.1-7.600000110.1
494E33.8Very low40.8Very low175 Ų175127.2 Ų127.282%0.81879%0.793SS**SBendcis-126.7171.63-48.9-178.7174.900109
495R35.4Very low41Very low219 Ų219124.2 Ų124.283%0.82679%0.785SS**  cis-148.5147.811.6174.9-178.1-66.4-169.2-2.3109.5
496G39.9Very low40.8Very low62 Ų62128 Ų12864%0.63979%0.789SS**  trans-132.9-172.3156.100000109.9
497P45.9Very low41.9Very low135 Ų135125.3 Ų125.388%0.87779%0.788SS**  cis-127-176.8-3.141.4-27.2000113.4
498A38Very low42.7Very low100 Ų100119.1 Ų119.183%0.82678%0.779SS**  trans-141.5151.8151.100000109
499G47.5Very low42.7Very low69 Ų69125.3 Ų125.371%0.71180%0.798SS**  trans-67.9167.4-169.800000115.8
500P37.6Very low43.2Very low136 Ų136123.1 Ų123.188%0.88379%0.794SS**  trans-75.9133.1-165.830.1-35.7000113.6
501R42.7Very low43.5Very low249 Ų249120.9 Ų120.994%0.9479%0.792SS**  trans-105.7113.6153.1-168.2173-173.9173.11.9107.2
502G50Low44Very low54 Ų54125.2 Ų125.256%0.55779%0.787SS**PPolyproline II helixtrans-62.1157.7-173.500000113.3
503P46.7Very low44.6Very low126 Ų126125.6 Ų125.682%0.81878%0.779SS**PPolyproline II helixtrans-56.6134.4170.825.8-33.6000109.3G505P503-G505 PolarHBondContact O-N 2.89Å
504P55.2Low44.9Very low129 Ų129126.2 Ų126.284%0.83879%0.785SS**PPolyproline II helixtrans-57.3136.1179.9-25.634.7000111.9
505G48.3Very low45Very low64 Ų64124.8 Ų124.866%0.6678%0.776SS**PPolyproline II helixtrans-70.7160.2168.500000111.7P503P503-G505 PolarHBondContact O-N 2.89Å
506D40.4Very low45Very low146 Ų146123.1 Ų123.178%0.78178%0.778SS**PPolyproline II helixtrans-48.8129172.8-64.4-36.5000110.3G508D506-G508 PolarHBondContact O-N 2.74Å
507P59.3Low44.8Very low131 Ų131123.4 Ų123.485%0.85178%0.781SS**  trans-56.6112.3-175.6-29.536.5000113.4
508G49.8Very low44.6Very low63 Ų63128.9 Ų128.965%0.64979%0.785SS**  trans-68.3141.6172.200000111.8D506 I510D506-G508 PolarHBondContact O-N 2.74Å; G508-I510 PolarHBondContact O-N 3.35Å
509L36.9Very low45Very low185 Ų185130 Ų13097%0.96978%0.783SS**  trans-65119.3176.1-68.4167.2000110.5
510I48.8Very low44.5Very low169 Ų169130.1 Ų130.187%0.86779%0.785SS**  trans-110.7135.3171-69179.2000108.9G508G508-I510 PolarHBondContact O-N 3.35Å
511G45.6Very low44.5Very low68 Ų68131.2 Ų131.270%0.70178%0.782SS**  trans-74.1160.9-172.600000115.5
512R51.7Low44.3Very low162 Ų162131 Ų13161%0.61178%0.781SS**  trans-71.2141-174.6-64.6173.1172169.2-3.6113.8E1233 D1236R512-E1233 WeakPolarHBondContact CD-OE1 3.39Å; R512-E1233 IonicContact CZ-OE1 2.9Å; R512-E1233 IonicContact NE-OE1 3.54Å; R512-E1233 IonicContact NH1-OE1 3.33Å; R512-E1233 PolarHBondContact NH1-OE1 3.36Å; R512-E1233 IonicContact NH1-OE2 2.82Å; R512-E1233 PolarHBondContact NH1-OE2 3.16Å; R512-D1236 IonicContact NH2-OD2 3.7Å; R512-D1236 PolarHBondContact NH2-OD2 3.05Å
513P46.8Very low44.1Very low124 Ų124131.4 Ų131.481%0.80579%0.785SS**  trans-131134.1155.233.5-18.1000114.6
514G43.6Very low44.1Very low84 Ų84131.5 Ų131.587%0.86679%0.785SS**  trans83.7146.9147.700000120
515K36.3Very low43.1Very low145 Ų145135.1 Ų135.163%0.6379%0.788SS**  trans-121.5167.5166.4-73.7-178179172.20109.8
516E34.5Very low42.6Very low184 Ų184135.6 Ų135.686%0.8679%0.793SS**  trans70.3147.4160.6-69.2152-130.600118.3
517G35.3Very low42.4Very low69 Ų69134.8 Ų134.871%0.71179%0.793SS**  cis163.3115.8-17.100000117.7
518R41.1Very low41.2Very low250 Ų250133 Ų13394%0.94378%0.783SS**  trans62.6178.7158.9-84.9-178177.9-172.50.2117
519P48.3Very low40.6Very low123 Ų123136.9 Ų136.980%0.79979%0.794SS**  cis-132.7171.5-21.328.2-7.5000116.7
520G36.2Very low40.4Very low72 Ų72131.9 Ų131.974%0.74278%0.779SS**  trans108.6158140.600000119.4
521I37.8Very low40Very low159 Ų159133.8 Ų133.882%0.81578%0.781SS**  cis-155.1137.7-10.1-48.9178.9000110.3
522R38.5Very low40Very low244 Ų244136.3 Ų136.392%0.92179%0.787SS**  trans58.7160.9163.3-86.1173.6165.9162.8-6.2118.5
523G45.6Very low39.4Very low62 Ų62135.6 Ų135.664%0.63980%0.795SS**  cis113.2114.7-3.100000113.9
524P46.4Very low39.2Very low128 Ų128137.4 Ų137.483%0.83179%0.79SS**  -136.3166.482.636.3-21.4000113.4
525K34.5Very low39Very low205 Ų205138.5 Ų138.589%0.89178%0.783SS**  cis93.3112.125.3-154.4-173.8-170.8-171.80114.5
526G37.9Very low39.1Very low74 Ų74139 Ų13976%0.76379%0.788SS**  trans162.9136.5173.200000113.9
527V35.3Very low39.1Very low130 Ų130138.2 Ų138.279%0.78879%0.79SS**  -161.2156.7-57.6137.80000108.9
528S33.7Very low39.2Very low93 Ų93137.8 Ų137.865%0.6579%0.785SS**  trans-54.6156.5-175.455.90000119.3
529V37.8Very low39.2Very low145 Ų145134.6 Ų134.688%0.87978%0.781SS**  -145.1110.1125.4-153.90000106.5
530A33.5Very low38.9Very low79 Ų79137.4 Ų137.465%0.65379%0.786SS**  72.291.954.600000114.7
531K39Very low38.8Very low209 Ų209136.8 Ų136.891%0.90978%0.779SS**  trans-157.7115.1149.7-117.4171.8-174.7178.80111.2
532C45.6Very low38.8Very low122 Ų122141.1 Ų141.182%0.82479%0.785SS**  trans-111.7154165.1-173.30000107.4
533L40.8Very low39Very low146 Ų146135.1 Ų135.176%0.76478%0.778SS**  trans-148.8106.5176.5-135.673.5000109.7
534F42.8Very low38.6Very low162 Ų162134.9 Ų134.971%0.71178%0.776SS**  trans24134.6140.6-61.5-71.9000119.8
535C38.7Very low38.2Very low107 Ų107136.6 Ų136.672%0.72378%0.778SS**  cis-132.4158.23.8-68.80000109.2
536E37.1Very low38.6Very low155 Ų155133 Ų13372%0.72477%0.773SS**  cis84.8157.834.3-63.4-167.3115.300115.8
537D35.5Very low38.6Very low168 Ų168132.9 Ų132.990%0.89877%0.771SS**  trans67.8137-173.1-60.4-32000119.1
538G38.1Very low38.6Very low60 Ų60134.9 Ų134.962%0.61977%0.772SS**  cis163.2112-11.400000116.1
539Q39.7Very low38.8Very low183 Ų183136.6 Ų136.686%0.85578%0.779SS**  trans-178.9129.1150.9-98.9151.758.900107.7
540M41.9Very low38.7Very low182 Ų182133 Ų13390%0.89777%0.771SS**  76.1125.351.7-165.9-162-54.400112.5
541G35.4Very low39.3Very low59 Ų59137.2 Ų137.261%0.60878%0.783SS**  cis170.198.6-10.200000116.6
542R38.3Very low39.3Very low250 Ų250133.1 Ų133.194%0.94378%0.78SS**  trans57-146.8163.6-60-176.5170.7-171.3-3.1114.7
543P42.4Very low38.8Very low119 Ų119131 Ų13177%0.77378%0.779SS**  -108.3175.7-79.323.2-6.8000112.5
544G36.3Very low39.2Very low57 Ų57132.8 Ų132.859%0.58879%0.788SS**  cis122.8116.9-4.200000113.9V546G544-V546 WeakPolarHBondContact O-CG2 3.39Å
545D37.3Very low39Very low164 Ų164130.8 Ų130.888%0.87779%0.792SS**  trans-100.6122.8166.2-54.5-43000106.9
546V44.3Very low38.8Very low130 Ų130129.6 Ų129.679%0.78880%0.797SS**  cis60119.631.5-167.30000110.7G544G544-V546 WeakPolarHBondContact O-CG2 3.39Å
547G37.6Very low39.3Very low70 Ų70133.9 Ų133.972%0.72281%0.807SS**  cis-179.6-170.36.200000106.4
548E34.2Very low39.6Very low172 Ų172132.2 Ų132.280%0.80481%0.805SS**  cis-159.1154-6.6-114.7-168.8-179.700108.7
549T38.3Very low39.7Very low129 Ų129132.8 Ų132.879%0.79181%0.811SS**  42.7133.7129.4-46.40000122.7
550G36.5Very low39.8Very low69 Ų69130.1 Ų130.171%0.71181%0.807SS**  trans120.6111.5138.400000117.5
551D45.4Very low39.7Very low169 Ų169129.2 Ų129.290%0.90481%0.805SS**  trans-73.7146.1164.3-71-63.8000111.5
552S38.8Very low40Very low122 Ų122129.8 Ų129.885%0.85381%0.811SS**  trans-158.5125.2171.3-80.10000113.9
553G34.9Very low40.4Very low78 Ų78123.6 Ų123.680%0.80480%0.804SS**  trans49.6110.9149.100000121.2
554L50.4Low40.7Very low183 Ų183126.3 Ų126.396%0.95881%0.812SS**  trans-76.5141.4159.9-76.6168.8000112.3
555P38Very low41.1Very low121 Ų121126.9 Ų126.979%0.78682%0.818SS**  trans-138.4139.9146.735.1-20.1000115.1
556G34.5Very low41Very low81 Ų81129 Ų12984%0.83582%0.823SS**  trans83.399144.300000121.1
557R47.3Very low41.1Very low246 Ų246131.1 Ų131.193%0.92883%0.829SS**  trans-79.1160.6134-75.8-177176.1-169-1.4107.7
558P43Very low41.6Very low132 Ų132130.7 Ų130.786%0.85782%0.824SS**  cis-148.5-176.235.343-22.3000117.9
559G39.6Very low41.9Very low72 Ų72130.6 Ų130.674%0.74283%0.829SS**  trans173131.3166.700000110.3
560V42Very low42.3Very low127 Ų127132.2 Ų132.277%0.7783%0.831SS**  trans-146.1162.2-167.1-162.50000112
561N38.3Very low43Very low163 Ų163131.8 Ų131.887%0.87283%0.826SS**  trans91.1142.8177.3-49.9-25.9000114.3
562G42.6Very low43Very low71 Ų71131.4 Ų131.473%0.73283%0.825SS**  cis-142-175.32.900000113.6
563P46.6Very low43.6Very low121 Ų121131.4 Ų131.479%0.78682%0.821SS**  trans-105.2157.2-158.139.3-35.7000116.4
564D48.3Very low44.5Very low175 Ų175131 Ų13194%0.93682%0.817SS**  trans178141.1146.9-92.7-24.1000106.5
565G45.8Very low44.2Very low70 Ų70133.7 Ų133.772%0.72281%0.814SS**  cis-163.4160.6-11.500000107.7L567G565-L567 PolarHBondContact O-N 3.32Å
566E33.8Very low44.8Very low209 Ų209134 Ų13498%0.97782%0.817SS**  trans-65.5130.9-170.7-63.9-176.5144.600113.6
567L47.6Very low45.6Very low174 Ų174133.4 Ų133.491%0.91181%0.81SS**  trans-135.5132166.1-166.567.5000109.4G565G565-L567 PolarHBondContact O-N 3.32Å
568G47.3Very low45.5Very low61 Ų61129.6 Ų129.663%0.62981%0.808SS**  trans-73.9179.1-164.400000116.6I570G568-I570 PolarHBondContact O-N 3.07Å
569D41.1Very low46Very low170 Ų170129.2 Ų129.291%0.90981%0.805SS**  trans-46.9115.8-167.8-60.1-61.2000114.6G571D569-G571 PolarHBondContact O-N 3.06Å
570I47.5Very low46.7Very low163 Ų163128.6 Ų128.684%0.83680%0.799SS**  trans-7399.4171.2-60.9176.7000108G568G568-I570 PolarHBondContact O-N 3.07Å
571G49.8Very low47.2Very low59 Ų59128.2 Ų128.261%0.60880%0.799SS**  trans-58.9158.3171.900000112.8D569D569-G571 PolarHBondContact O-N 3.06Å
572D44.8Very low47.7Very low162 Ų162126.3 Ų126.387%0.86680%0.795SS**  trans-40123.7-171.3-73.4-50.8000113.7G574D572-G574 PolarHBondContact O-N 2.82Å
573P53.2Low48.1Very low121 Ų121126.4 Ų126.479%0.78680%0.797SS**  trans-52.2111.5175.3-29.336.2000111.2R575P573-R575 PolarHBondContact O-N 2.69Å
574G52Low47.8Very low69 Ų69132.4 Ų132.471%0.71180%0.804SS**  trans-52.5132.7-174.100000111.4D572D572-G574 PolarHBondContact O-N 2.82Å
575R46.1Very low47.3Very low240 Ų240133.4 Ų133.491%0.90680%0.8SS**  trans-45.1127.8-179.1-73.3-174.4174.3-153-2109.9P573 G577P573-R575 PolarHBondContact O-N 2.69Å; R575-G577 PolarHBondContact O-N 3.33Å; R575-G577 VanDerWaalsContact O-N 3.07Å
576P49.7Very low47.4Very low128 Ų128134 Ų13483%0.83181%0.806SS**PPolyproline II helixtrans-48.6120.8180-30.735.7000110.8L578P576-L578 PolarHBondContact O-N 3.12Å
577G52Low47.4Very low68 Ų68129.3 Ų129.370%0.70179%0.785SS**PPolyproline II helixtrans-55.7131.9-177.300000110R575R575-G577 PolarHBondContact O-N 3.33Å; R575-G577 VanDerWaalsContact O-N 3.07Å
578L45.3Very low46.8Very low167 Ų167126 Ų12687%0.87477%0.772SS**PPolyproline II helixtrans-52.1127.4172.9-73.6170.6000108.3P576 G580P576-L578 PolarHBondContact O-N 3.12Å; L578-G580 PolarHBondContact O-N 2.92Å
579P52.8Low46.3Very low123 Ų123126 Ų12680%0.79977%0.771SS**PPolyproline II helixtrans-51.1120.9-179.4-29.735.7000110.3
580G54.7Low46Very low60 Ų60125.2 Ų125.262%0.61976%0.76SS**PPolyproline II helixtrans-54.5134.6-175.200000110.4L578L578-G580 PolarHBondContact O-N 2.92Å
581P51.6Low45.4Very low119 Ų119121.1 Ų121.177%0.77374%0.744SS**PPolyproline II helixtrans-56.1127.4-179.223.2-33.1000108.9G583P581-G583 PolarHBondContact O-N 3.29Å; P581-G583 VanDerWaalsContact O-N 3.14Å
582P49.4Very low44.8Very low122 Ų122121.9 Ų121.979%0.79275%0.752SS**PPolyproline II helixtrans-50.1123.2-172.2-31.935.9000112.1R584P582-R584 PolarHBondContact O-N 2.92Å; P582-R584 VanDerWaalsContact O-N 3.08Å
583G50.6Low44.3Very low74 Ų74121.4 Ų121.476%0.76375%0.745SS**PPolyproline II helixtrans-53.6116.6-171.100000111.4P581 K585P581-G583 PolarHBondContact O-N 3.29Å; P581-G583 VanDerWaalsContact O-N 3.14Å; G583-K585 PolarHBondContact O-N 3.36Å; G583-K585 VanDerWaalsContact O-N 3.07Å
584R41.2Very low43.6Very low246 Ų246121.6 Ų121.693%0.92874%0.738SS**  trans-60.8115.6174.6-78.4-173.1170.6-165.7-1.9108.4P582 G586P582-R584 PolarHBondContact O-N 2.92Å; P582-R584 VanDerWaalsContact O-N 3.08Å; R584-G586 PolarHBondContact O-N 3.08Å
585K37Very low42.8Very low196 Ų196121.6 Ų121.685%0.85274%0.738SS**  trans-50.6131.1171.9-77.3-173.5173.6-177.40109.3G583G583-K585 PolarHBondContact O-N 3.36Å; G583-K585 VanDerWaalsContact O-N 3.07Å
586G47Very low42.3Very low82 Ų82120.2 Ų120.285%0.84574%0.739SS**  trans-57.8138177.200000111.1R584R584-G586 PolarHBondContact O-N 3.08Å
587M34.9Very low41.7Very low111 Ų111123.3 Ų123.355%0.54774%0.739SS.*  trans-121.9139.4174.5-78.2-178.829.900109.1G932M587-G932 WeakPolarHBondContact CE-O 3.47Å; M587-G932 WeakPolarHBondContact CG-O 3.08Å
588V35.7Very low41.2Very low106 Ų106122.9 Ų122.964%0.64273%0.734SS**PPolyproline II helixtrans-63.6142.9-162.8-1740000112.4F590 P933V588-F590 PolarHBondContact O-N 3.31Å; V588-P933 HydrophobicContact CB-CG 4.32Å; V588-P933 WeakPolarHBondContact O-CG 3.38Å
589G36.5Very low40.8Very low59 Ų59122.4 Ų122.461%0.60873%0.733SS**PPolyproline II helixtrans-56.4118.9-17500000114.1
590F33.3Very low40.2Very low155 Ų155122 Ų12268%0.6873%0.731SS**PPolyproline II helixtrans-66.7150.2165.8-80.5-79.4000110.8V588 P933 R936V588-F590 PolarHBondContact O-N 3.31Å; F590-P933 HydrophobicContact CD2-CG 4.38Å; F590-P933 HydrophobicContact CE1-CB 4Å; F590-P933 HydrophobicContact CE1-CG 4.31Å; F590-P933 HydrophobicContact CE2-CB 4.02Å; F590-P933 HydrophobicContact CE2-CG 3.79Å; F590-P933 HydrophobicContact CZ-CB 3.48Å; F590-P933 VanDerWaalsContact CZ-CB 3.48Å; F590-P933 HydrophobicContact CZ-CG 3.76Å; F590-R936 VanDerWaalsContact C-NE 3.32Å
591P35.8Very low39.4Very low77 Ų77122.5 Ų122.550%0.574%0.735SS.*PPolyproline II helixtrans-68166.9-164.61.4-0.7000112.3R936P591-R936 HydrophobicContact CB-CG 4.24Å; P591-R936 VanDerWaalsContact CD-NH1 3.32Å; P591-R936 HydrophobicContact CG-CG 3.65Å; P591-R936 PolarHBondContact O-NH1 2.76Å; P591-R936 PolarHBondContact O-NH2 2.82Å
592G36.9Very low38.6Very low75 Ų75125.3 Ų125.377%0.77374%0.738SS**PPolyproline II helixtrans-59.9139.5152.900000109.2R936G592-R936 PolarHBondContact O-NH1 3.38Å
593Q33.8Very low37.8Very low151 Ų151124 Ų12471%0.70674%0.738SS**  trans-145.7100.5165.6-128.2168.90.800109.9
594I39.2Very low37Very low126 Ų126123.3 Ų123.365%0.64673%0.73SS**  trans26.6110.9148.3-55.9171.3000114.7
595G35.4Very low36.6Very low69 Ų69119 Ų11971%0.71172%0.724SS**PPolyproline II helixtrans-53.7140.7176.400000112.5K597G595-K597 PolarHBondContact O-N 3.32Å; G595-K597 VanDerWaalsContact O-N 3.12Å
596F35.7Very low36.3Very low210 Ų210116.6 Ų116.692%0.92172%0.719SS**PPolyproline II helixtrans-57.9118.5173.3-67.2-83.9000109.2G598F596-G598 PolarHBondContact O-N 2.77Å; F596-G598 VanDerWaalsContact O-N 3.08Å
597K36.7Very low35.7Very low194 Ų194121.5 Ų121.584%0.84371%0.712SS**PPolyproline II helixtrans-54.4116.7163.6176.1-179.6178.2178.20106.6G595G595-K597 PolarHBondContact O-N 3.32Å; G595-K597 VanDerWaalsContact O-N 3.12Å
598G41.8Very low35.7Very low58 Ų58121.6 Ų121.660%0.59871%0.714SS**PPolyproline II helixtrans-51.5143.7-174.100000112F596F596-G598 PolarHBondContact O-N 2.77Å; F596-G598 VanDerWaalsContact O-N 3.08Å
599D37Very low35.5Very low157 Ų157121.6 Ų121.684%0.8471%0.708SS**PPolyproline II helixtrans-50.8125.3-178.7-67.6-61.9000110.1G601D599-G601 PolarHBondContact O-N 2.68Å
600P40.9Very low35.6Very low116 Ų116124.8 Ų124.875%0.75371%0.711SS**  trans-57.1115.7172.8-2333.7000108.6E602P600-E602 PolarHBondContact O-N 2.98Å
601G36.6Very low35.6Very low69 Ų69125 Ų12571%0.71172%0.715SS**  trans-50.8138.2-170.700000112.3D599 A603D599-G601 PolarHBondContact O-N 2.68Å; G601-A603 PolarHBondContact O-N 2.8Å; G601-A603 VanDerWaalsContact O-N 3.09Å
602E34.3Very low35.5Very low179 Ų179128.3 Ų128.384%0.83672%0.723SS**  trans-51.1119-173.3-71.4-165.2122.600110.9P600 G604P600-E602 PolarHBondContact O-N 2.98Å; E602-G604 PolarHBondContact O-N 2.84Å
603A34Very low35.4Very low95 Ų95130 Ų13079%0.78572%0.718SS**  trans-64.3111-177.200000109.9G601 I605G601-A603 PolarHBondContact O-N 2.8Å; G601-A603 VanDerWaalsContact O-N 3.09Å; A603-I605 PolarHBondContact O-N 3.2Å
604G33.6Very low35.4Very low58 Ų58129.9 Ų129.960%0.59872%0.722SS**  trans-53.8135.9-179.200000112.1E602 L606E602-G604 PolarHBondContact O-N 2.84Å; G604-L606 PolarHBondContact O-N 2.92Å
605I32.2Very low35.2Very low157 Ų157129.1 Ų129.181%0.80573%0.725SS**  trans-75.976-176.4-56.1-178.7000109.7A603 R607A603-I605 PolarHBondContact O-N 3.2Å; I605-R607 VanDerWaalsContact C-N 3.33Å; I605-R607 PolarHBondContact O-N 2.86Å
606L31.4Very low35.2Very low145 Ų145129.2 Ų129.276%0.75973%0.726SS**  trans-71.483.8174.9-80.7158.5000110.6G604 I608G604-L606 PolarHBondContact O-N 2.92Å; L606-I608 HydrophobicContact CB-CG1 4.44Å; L606-I608 HydrophobicContact CD2-CD1 3.89Å; L606-I608 HydrophobicContact CD2-CG1 4.27Å; L606-I608 PolarHBondContact O-N 3.01Å
607R34Very low35.3Very low184 Ų184126.3 Ų126.369%0.69472%0.72SS**  trans-82.659.7177.6-149.5175-173.5-134.9-3.8111.9I605 Q1614I605-R607 VanDerWaalsContact C-N 3.33Å; I605-R607 PolarHBondContact O-N 2.86Å; R607-Q1614 VanDerWaalsContact NH1-OE1 3.09Å
608I35.4Very low35.5Very low114 Ų114122.9 Ų122.959%0.58572%0.718SS**  trans-86.7157.3178.4-49.8-177000111L606L606-I608 HydrophobicContact CB-CG1 4.44Å; L606-I608 HydrophobicContact CD2-CD1 3.89Å; L606-I608 HydrophobicContact CD2-CG1 4.27Å; L606-I608 PolarHBondContact O-N 3.01Å
609M32.1Very low35.3Very low106 Ų106123.5 Ų123.552%0.52272%0.724SS.*  trans117.8131.4148.3-58-165.283.800113.8Q611 V613M609-Q611 HydrophobicContact CE-CG 3.83Å; M609-V613 HydrophobicContact CE-CG2 3.72Å; M609-V613 HydrophobicContact SD-CG2 4.45Å
610N37.3Very low35.3Very low126 Ų126122.3 Ų122.367%0.67472%0.718SS**SBendcis-136.1146.629.2-69.4-91.2000111.3
611Q34.4Very low35.1Very low159 Ų159122.5 Ų122.574%0.74372%0.722SS**SBendcis-158.7109.25.7-126.9163.93800112.8M609M609-Q611 HydrophobicContact CE-CG 3.83Å
612Q33.5Very low35.1Very low147 Ų147122.3 Ų122.369%0.68772%0.72SS**  trans-151.3142.2138.9-158.6165.61200107
613V34.6Very low35.3Very low109 Ų109123.4 Ų123.466%0.66172%0.718SS**  trans-107.4114.8173.7178.40000106.4M609M609-V613 HydrophobicContact CE-CG2 3.72Å; M609-V613 HydrophobicContact SD-CG2 4.45Å
614L34.3Very low35.8Very low149 Ų149124.7 Ų124.778%0.7872%0.719SS**PPolyproline II helixtrans-74.8133.5166.5-75.5163000108
615P34.7Very low36.2Very low111 Ų111125.1 Ų125.172%0.72172%0.722SS**PPolyproline II helixtrans-54.4146151.4-15.830.5000108.1
616G35.1Very low36.5Very low71 Ų71125.2 Ų125.273%0.73273%0.725SS**PPolyproline II helixtrans-58.6143.1164.300000109.1
617D36.9Very low36.8Very low148 Ų148128 Ų12879%0.79173%0.731SS**PPolyproline II helixtrans-51.2140.8172.7-58.2-72000109.3G619D617-G619 PolarHBondContact O-N 3.2Å
618P40.7Very low37.2Very low122 Ų122122.2 Ų122.279%0.79273%0.728SS**  trans-53.2112166.1-21.232.6000107.1N620P618-N620 PolarHBondContact O-N 3.37Å; P618-N620 VanDerWaalsContact O-N 3.17Å
619G38.6Very low37.3Very low72 Ų72125.6 Ų125.674%0.74274%0.741SS**  trans-51.7127.9-175.700000108.6D617 S621D617-G619 PolarHBondContact O-N 3.2Å; G619-S621 PolarHBondContact O-N 3.02Å
620N36Very low38.1Very low132 Ų132126.6 Ų126.671%0.70676%0.756SS**  trans-36.3127.3-170.1-72.5-9.8000110.6P618 G622P618-N620 PolarHBondContact O-N 3.37Å; P618-N620 VanDerWaalsContact O-N 3.17Å; N620-G622 PolarHBondContact O-N 3.43Å
621S37.1Very low38.5Very low120 Ų120123.7 Ų123.784%0.83976%0.755SS**  trans-41.5115.4160.3-55.20000106.4G619 Y623G619-S621 PolarHBondContact O-N 3.02Å; S621-Y623 PolarHBondContact O-N 3.31Å
622G36.6Very low38.7Very low65 Ų65121.3 Ų121.367%0.6775%0.748SS**  trans-50.8132.6-172.600000108.4N620 P624N620-G622 PolarHBondContact O-N 3.43Å; G622-P624 VanDerWaalsContact O-N 3.14Å
623Y39.3Very low39.2Very low201 Ų201121.3 Ų121.379%0.78875%0.752SS**  trans-42.9128.1172.6-73.6-83.9000107.3S621 G625S621-Y623 PolarHBondContact O-N 3.31Å; Y623-G625 WeakPolarHBondContact O-CA 3.46Å; Y623-G625 PolarHBondContact O-N 3.07Å
624P44.4Very low39.7Very low123 Ų123116.9 Ų116.980%0.79973%0.729SS**  trans-50.3110.7176.5-2634.2000106.9G622 D626G622-P624 VanDerWaalsContact O-N 3.14Å; P624-D626 PolarHBondContact O-N 3.08Å
625G41.3Very low39.8Very low66 Ų66111.1 Ų111.168%0.6870%0.699SS**  trans-54.5130.2-160.700000109.5Y623 K627Y623-G625 WeakPolarHBondContact O-CA 3.46Å; Y623-G625 PolarHBondContact O-N 3.07Å; G625-K627 PolarHBondContact O-N 3.24Å
626D39Very low40.3Very low159 Ų159108 Ų10885%0.8568%0.678SS**  trans-43.7120.6-175-72.5-59.2000108.9P624 G628P624-D626 PolarHBondContact O-N 3.08Å; D626-G628 WeakPolarHBondContact O-CA 3.24Å; D626-G628 PolarHBondContact O-N 3.14Å
627K37.7Very low40.6Very low205 Ų205104.9 Ų104.989%0.89165%0.646SS**  trans-50.9105.6-164.5177.8-169.2174.4-1720108.4G625 E629G625-K627 PolarHBondContact O-N 3.24Å; K627-E629 PolarHBondContact O-N 3.12Å
628G41.4Very low40.7Very low62 Ų62101.4 Ų101.464%0.63963%0.633SS**  trans-48.8133.5-161.100000112.1D626D626-G628 WeakPolarHBondContact O-CA 3.24Å; D626-G628 PolarHBondContact O-N 3.14Å
629E37.8Very low40.8Very low184 Ų184103.8 Ų103.886%0.8663%0.632SS**  trans-49.8131.5178.1-66.2-173.7117.900109K627 G631K627-E629 PolarHBondContact O-N 3.12Å; E629-G631 PolarHBondContact O-N 2.8Å
630P50.3Low40.9Very low128 Ų128104 Ų10483%0.83163%0.634SS**  trans-52115.8-175.3-29.135.9000110.7D632P630-D632 PolarHBondContact O-N 3.28Å
631G44.6Very low41.2Very low64 Ų64102.8 Ų102.866%0.6664%0.642SS**  trans-54.5127.7-155.900000114.4E629 L633E629-G631 PolarHBondContact O-N 2.8Å; G631-L633 PolarHBondContact O-N 3.38Å
632D38.9Very low41.1Very low110 Ų110109.3 Ų109.359%0.58865%0.649SS**  trans-38.2101178.3-87.8-14.8000112.2W6 I10 P630 G634W6-D632 HydrophobicContact CH2-CB 4.32Å; W6-D632 HydrophobicContact CZ3-CB 4.03Å; I10-D632 HydrophobicContact CD1-CB 4.07Å; P630-D632 PolarHBondContact O-N 3.28Å; D632-G634 PolarHBondContact O-N 2.99Å
633L44.9Very low41.4Very low146 Ų146109.6 Ų109.676%0.76465%0.651SS**  trans-87.398.4-168.8-164.5149000109G631G631-L633 PolarHBondContact O-N 3.38Å
634G43.2Very low41Very low17 Ų17109.7 Ų109.718%0.17566%0.659CS.*  trans-62.8175.2-155.300000119.6F7 D632F7-G634 VanDerWaalsContact CZ-CA 3.42Å; D632-G634 PolarHBondContact O-N 2.99Å
635D37Very low41.2Very low28 Ų28114.1 Ų114.115%0.1567%0.666CS.*  trans-28.9145.9153.3-103.1-179.1000111.2S2 L4 S5 W6 F7 L8S2-D635 CarbonylContact O-C 3.58Å; S2-D635 VanDerWaalsContact O-C 3.24Å; L4-D635 VanDerWaalsContact CA-OD1 3.25Å; L4-D635 WeakPolarHBondContact CA-OD1 3.44Å; L4-D635 VanDerWaalsContact N-CG 3.31Å; L4-D635 PolarHBondContact N-OD1 2.88Å; S5-D635 WeakPolarHBondContact CA-OD2 3.06Å; S5-D635 VanDerWaalsContact N-CG 3.34Å; S5-D635 PolarHBondContact N-OD2 3.34Å; W6-D635 VanDerWaalsContact C-OD2 3.3Å; W6-D635 WeakPolarHBondContact CA-OD2 3.19Å; W6-D635 PolarHBondContact N-OD2 3.44Å; F7-D635 VanDerWaalsContact CA-CG 3.43Å; F7-D635 WeakPolarHBondContact CA-OD2 3.17Å; F7-D635 HydrophobicContact CB-CB 3.54Å; F7-D635 WeakPolarHBondContact CB-OD1 3.3Å; F7-D635 HydrophobicContact CD2-CB 3.74Å; F7-D635 HydrophobicContact CG-CB 3.86Å; F7-D635 VanDerWaalsContact N-CA 3.29Å; F7-D635 PolarHBondContact N-OD2 2.73Å; L8-D635 PolarHBondContact N-OD1 2.85Å; L8-D635 PolarHBondContact N-OD2 3.12Å
636P46.1Very low41.1Very low44 Ų44113.9 Ų113.929%0.28666%0.664SS.*  cis-79.7-169.418.91.3-1.1000124.2M1 S2 I3 S5 W6M1-P636 CarbonylContact O-C 3.5Å; S2-P636 VanDerWaalsContact C-CB 3.48Å; S2-P636 CarbonylContact C-O 3.54Å; S2-P636 VanDerWaalsContact CA-C 3.48Å; S2-P636 WeakPolarHBondContact CA-O 3.31Å; S2-P636 CarbonylContact O-C 3.44Å; S2-P636 WeakPolarHBondContact O-CA 3.35Å; S2-P636 WeakPolarHBondContact O-CD 3.09Å; S2-P636 VanDerWaalsContact O-O 3.09Å; I3-P636 HydrophobicContact CB-CB 3.37Å; I3-P636 HydrophobicContact CB-CG 2.68Å; I3-P636 HydrophobicContact CD1-CG 3.98Å; I3-P636 HydrophobicContact CG1-CB 4.46Å; I3-P636 HydrophobicContact CG1-CG 3.04Å; I3-P636 HydrophobicContact CG2-CG 4.24Å; I3-P636 PolarHBondContact N-O 3.14Å; I3-P636 VanDerWaalsContact O-CA 3.31Å; I3-P636 WeakPolarHBondContact O-CA 3.31Å; I3-P636 WeakPolarHBondContact O-CB 2.78Å; S5-P636 VanDerWaalsContact CB-C 3.49Å; S5-P636 WeakPolarHBondContact CB-O 3.42Å; S5-P636 PolarHBondContact N-O 2.73Å; W6-P636 PolarHBondContact N-O 2.88Å
637G39.9Very low41Very low7 Ų7113 Ų1137%0.07267%0.666CS.*BIsolated β-bridgecis-162.3113.8-1200000113.3M1 L4 F639M1-G637 PolarHBondContact O-N 3.3Å; L4-G637 VanDerWaalsContact C-CA 3.46Å; L4-G637 CarbonylContact O-C 3.47Å; L4-G637 WeakPolarHBondContact O-CA 3.42Å; G637-F639 PolarHBondContact O-N 2.98Å
638S40.2Very low41.3Very low74 Ų74113.1 Ų113.152%0.51767%0.667SS.*  trans-8073.9-159.945.30000114.8L4L4-S638 WeakPolarHBondContact O-CB 3.32Å; L4-S638 PolarHBondContact O-N 2.84Å; L4-S638 PolarHBondContact O-OG 3.22Å
639F42.5Very low41.4Very low172 Ų172113.8 Ų113.875%0.75467%0.674SS**  trans-141.2134160.4-68.9-97.4000107.5M1 G637M1-F639 HydrophobicContact CE-CB 4.06Å; M1-F639 HydrophobicContact CE-CD2 3.54Å; M1-F639 HydrophobicContact CE-CE2 4.24Å; M1-F639 HydrophobicContact CE-CG 4.04Å; M1-F639 HydrophobicContact SD-CD2 4.23Å; G637-F639 PolarHBondContact O-N 2.98Å
640G40.6Very low41.5Very low76 Ų76116.5 Ų116.578%0.78468%0.676SS**  cis-170.4169.2-400000109.1
641A41.3Very low40.9Very low108 Ų108119.4 Ų119.489%0.89368%0.681SS**  trans-85.5128.3-166.500000115.6
642R36.6Very low40.8Very low257 Ų257119.7 Ų119.797%0.9768%0.684SS**  trans-170.1148.9157.9-126.9174176.1168.9-1.3108.8
643G42.4Very low41.3Very low70 Ų70122.6 Ų122.672%0.72270%0.698SS**  cis-157.2-170.4-1.500000111.2
644E31.4Very low41Very low204 Ų204122.1 Ų122.195%0.95370%0.704SS**  trans-99.9-175.4-158.6-63174.811100116.7
645F47.4Very low41Very low215 Ų215124.4 Ų124.494%0.94373%0.727SS**  trans-65.4159.2-169.7-99.9-104.2000117.2
646G40.1Very low41.3Very low62 Ų62129.8 Ų129.864%0.63976%0.762SS**  trans-128.4158.1160.500000112.3
647P37Very low41.5Very low139 Ų139133.5 Ų133.590%0.90379%0.786SS**  trans-98.6175.4-157.337.8-37.4000118
648K44.6Very low41.8Very low209 Ų209136.4 Ų136.491%0.90982%0.816SS**  trans-64.7147.8-169.9-70.3177.3174.71740117.2
649G42.4Very low42.1Very low75 Ų75140.8 Ų140.877%0.77383%0.831SS**  trans-101.8174148.300000112.6
650R39Very low42.6Very low242 Ų242138.2 Ų138.291%0.91383%0.832SS**  trans-131.4140.1-170.9-99.2-171.5176.5-168.90.9115.1
651M38.3Very low43Very low189 Ų189137.1 Ų137.193%0.93182%0.821SS**  trans74.1128.8139.9-165172.576.100120.6
652G42.7Very low43.5Very low70 Ų70138.2 Ų138.272%0.72282%0.819SS**  trans177.3113.3163.600000111.6
653L49Very low44Very low170 Ų170135.4 Ų135.489%0.8982%0.817SS**  trans-129118.7167.8-76.5168.2000105.7
654P39.4Very low44.3Very low137 Ų137134.8 Ų134.889%0.8981%0.811SS**  -141177.283.338.8-23.3000112.8
655G41.9Very low44.9Very low64 Ų64132.5 Ų132.566%0.6681%0.805SS**  cis-160.3180-2.700000109.3P657G655-P657 VanDerWaalsContact O-CD 3.31Å; G655-P657 WeakPolarHBondContact O-CD 3.33Å
656T44.4Very low45.2Very low142 Ų142128.5 Ų128.587%0.87180%0.8SS**PPolyproline II helixtrans-86.4119.8-16950.10000114.7
657P51.1Low45.5Very low122 Ų122128.7 Ų128.779%0.79280%0.803SS**PPolyproline II helixtrans-69.4150.3148.9-927.7000109.5G655G655-P657 VanDerWaalsContact O-CD 3.31Å; G655-P657 WeakPolarHBondContact O-CD 3.33Å
658G45.4Very low45.7Very low68 Ų68130.1 Ų130.170%0.70180%0.803SS**PPolyproline II helixtrans-68.5161.6179.700000113.6P660G658-P660 VanDerWaalsContact O-CD 3.31Å; G658-P660 WeakPolarHBondContact O-CD 3.25Å
659I46.3Very low45.6Very low165 Ų165132.1 Ų132.185%0.84681%0.805SS**PPolyproline II helixtrans-57.9121.1172-61.2166.7000108.7G661I659-G661 PolarHBondContact O-N 3.46Å; I659-G661 VanDerWaalsContact O-N 3.14Å
660P52.5Low45.7Very low118 Ų118131.4 Ų131.477%0.76680%0.798SS**  trans-62.7114.8160.4-15.130.5000107G658G658-P660 VanDerWaalsContact O-CD 3.31Å; G658-P660 WeakPolarHBondContact O-CD 3.25Å
661G50.3Low45.7Very low54 Ų54128 Ų12856%0.55780%0.797SS**  trans-58.9159.7172.600000110.6I659 E663I659-G661 PolarHBondContact O-N 3.46Å; I659-G661 VanDerWaalsContact O-N 3.14Å; G661-E663 PolarHBondContact O-N 3.29Å
662P51.7Low46.2Very low130 Ų130124.9 Ų124.984%0.84479%0.791SS**  trans-54134.3170.225.8-33.9000109G664P662-G664 PolarHBondContact O-N 2.76Å
663E47Very low46.2Very low198 Ų198124.7 Ų124.793%0.92579%0.789SS**  trans-60.6107.1168.7-174168.7-16000106.8G661G661-E663 PolarHBondContact O-N 3.29Å
664G48.6Very low45.7Very low58 Ų58125 Ų12560%0.59879%0.791SS**  trans-69.2140.6-173.500000110.5P662P662-G664 PolarHBondContact O-N 2.76Å
665D43.9Very low45.7Very low156 Ų156124.4 Ų124.483%0.83479%0.787SS**  trans-47.2130.8168.9-66.1-65.9000109.4G667D665-G667 PolarHBondContact O-N 2.88Å
666P53.4Low45.6Very low130 Ų130124.5 Ų124.584%0.84479%0.789SS**  trans-54.7105-178.4-28.635.9000110.7D668P666-D668 PolarHBondContact O-N 2.69Å
667G46.7Very low45.2Very low67 Ų67122.3 Ų122.369%0.69177%0.771SS**  trans-56.2137.2-165.400000112.3D665 R669D665-G667 PolarHBondContact O-N 2.88Å; G667-R669 PolarHBondContact O-N 2.04Å; G667-R669 VanDerWaalsContact O-N 3.11Å
668D42Very low44.4Very low169 Ų169118.9 Ų118.990%0.90475%0.746SS**  trans-42.4120.6179.2-83.7-46.4000110.2P666 G670P666-D668 PolarHBondContact O-N 2.69Å; D668-G670 VanDerWaalsContact C-N 3.34Å; D668-G670 PolarHBondContact O-N 3.42Å
669R42.2Very low44.2Very low250 Ų250118.4 Ų118.494%0.94374%0.741SS**  trans-64.595.8-170.5-165.7-178.3-164.2-177.65.3108.9G667 L671G667-R669 PolarHBondContact O-N 2.04Å; G667-R669 VanDerWaalsContact O-N 3.11Å; R669-L671 PolarHBondContact O-N 3.28Å
670G44Very low43.9Very low61 Ų61121.3 Ų121.363%0.62974%0.742SS**PPolyproline II helixtrans-50.9134-165.100000112.6D668 P672D668-G670 VanDerWaalsContact C-N 3.34Å; D668-G670 PolarHBondContact O-N 3.42Å; G670-P672 VanDerWaalsContact O-CD 3.26Å; G670-P672 WeakPolarHBondContact O-CD 3.27Å; G670-P672 VanDerWaalsContact O-N 3.12Å
671L38.5Very low43.1Very low171 Ų171120.4 Ų120.490%0.89574%0.738SS**PPolyproline II helixtrans-50.6117176.6-68.3169.7000109.4R669 G673R669-L671 PolarHBondContact O-N 3.28Å; L671-G673 PolarHBondContact O-N 3.03Å
672P48.6Very low42.5Very low123 Ų123127.3 Ų127.380%0.79975%0.753SS**PPolyproline II helixtrans-60.8120.7171.7-21.133.9000108.5G670G670-P672 VanDerWaalsContact O-CD 3.26Å; G670-P672 WeakPolarHBondContact O-CD 3.27Å; G670-P672 VanDerWaalsContact O-N 3.12Å
673G43.2Very low42Very low66 Ų66127.5 Ų127.568%0.6875%0.752SS**PPolyproline II helixtrans-73.8152.5-174.700000113.4L671 P675L671-G673 PolarHBondContact O-N 3.03Å; G673-P675 WeakPolarHBondContact O-CD 3.23Å
674D39.8Very low41.4Very low175 Ų175121.6 Ų121.694%0.93674%0.743SS**  trans-80.9110.1-178.4-59.9-67.9000113.4
675P38.7Very low40.7Very low125 Ų125127.8 Ų127.881%0.81276%0.757SS**  trans-142137.5137.736.4-23.5000112.6G673G673-P675 WeakPolarHBondContact O-CD 3.23Å
676G40.6Very low40.7Very low67 Ų67126.1 Ų126.169%0.69175%0.752SS**  cis-160.3-168.3-200000111.2
677L35Very low40.2Very low95 Ų95123.1 Ų123.150%0.49775%0.746SS.*  trans-75.8-174-173.3-66154.9000114.2G1184 L1185L677-G1184 CarbonylContact C-O 2.96Å; L677-G1184 WeakPolarHBondContact CB-O 3.02Å; L677-G1184 CarbonylContact O-C 3.39Å; L677-G1184 VanDerWaalsContact O-C 3.22Å; L677-L1185 WeakPolarHBondContact O-CA 3.48Å; L677-L1185 WeakPolarHBondContact O-CB 3.43Å; L677-L1185 WeakPolarHBondContact O-CD2 3.36Å; L677-L1185 WeakPolarHBondContact O-CG 3.4Å; L677-L1185 PolarHBondContact O-N 3.45Å
678D34.4Very low39.9Very low50 Ų50127.5 Ų127.527%0.26775%0.753SS.*  trans-32.3131.8-162.5-49.516000129.1S1183 G1184 L1185D678-S1183 WeakPolarHBondContact OD1-CA 3.43Å; D678-S1183 WeakPolarHBondContact OD2-CB 3.07Å; D678-S1183 PolarHBondContact OD2-OG 3.09Å; D678-G1184 VanDerWaalsContact N-C 3.3Å; D678-G1184 PolarHBondContact OD1-N 2.93Å; D678-G1184 VanDerWaalsContact OD1-N 3.12Å; D678-L1185 VanDerWaalsContact C-CB 3.45Å; D678-L1185 VanDerWaalsContact C-N 3.31Å; D678-L1185 WeakPolarHBondContact O-CA 2.97Å; D678-L1185 WeakPolarHBondContact O-CB 3.48Å; D678-L1185 WeakPolarHBondContact O-CG 3.36Å; D678-L1185 PolarHBondContact O-N 3.4Å
679G42.1Very low40.4Very low59 Ų59125.2 Ų125.261%0.60875%0.747SS**  trans-127.3146146.600000111.1
680R39Very low40.5Very low226 Ų226116.5 Ų116.585%0.85374%0.736SS**  trans-105151-166.8-69.9-175.8174175.2-1.2116
681S36Very low40.3Very low99 Ų99122.2 Ų122.269%0.69275%0.746SS**  trans100.596.4143.2-62.20000121.3
682F38.2Very low41Very low198 Ų198119.5 Ų119.587%0.86874%0.739SS**  76.5132121.1-89.2-78.7000123.5
683V40.8Very low40.7Very low135 Ų135117.3 Ų117.382%0.81874%0.739SS**  trans66.770.4164.1-161.20000117.7
684G33.4Very low40.5Very low73 Ų73124.7 Ų124.775%0.75375%0.747SS**  70.4118.193.500000120.3
685E34.8Very low40.8Very low188 Ų188121.7 Ų121.788%0.87974%0.741SS**  trans-150164.1141.1-133172.9-144.300110.5
686T44.3Very low41Very low121 Ų121119.1 Ų119.174%0.74274%0.736SS**  trans20.6112.8167.1-49.40000119.6
687G42.5Very low41Very low68 Ų68124 Ų12470%0.70175%0.746SS**PPolyproline II helixtrans-82.3153.4159.200000112
688D39.7Very low41.9Very low158 Ų158125.5 Ų125.585%0.84576%0.761SS**PPolyproline II helixtrans-58.6143.8-172.6-61.8-72.3000114G690D688-G690 PolarHBondContact O-N 3.4Å
689P51.7Low42.4Very low121 Ų121126.6 Ų126.679%0.78678%0.784SS**PPolyproline II helixtrans-59130.3171.7-22.333.3000111.6
690G45.2Very low42.3Very low68 Ų68129.5 Ų129.570%0.70180%0.795SS**PPolyproline II helixtrans-59.9147.2170.100000111.5D688D688-G690 PolarHBondContact O-N 3.4Å
691E39.4Very low42.4Very low180 Ų180128.5 Ų128.584%0.84180%0.797SS**PPolyproline II helixtrans-51.2126.6-177.2-66.5-169.1139.200111.7G693E691-G693 PolarHBondContact O-N 3.48Å; E691-G693 VanDerWaalsContact O-N 3.12Å
692P53Low42.5Very low114 Ų114127.2 Ų127.274%0.7480%0.8SS**PPolyproline II helixtrans-58.2119.1173.6-25.435000110.4Y694P692-Y694 PolarHBondContact O-N 3.24Å
693G42.7Very low42.5Very low78 Ų78125.5 Ų125.580%0.80480%0.798SS**  trans-58.3112.5-178.700000111.4E691 S695E691-G693 PolarHBondContact O-N 3.48Å; E691-G693 VanDerWaalsContact O-N 3.12Å; G693-S695 PolarHBondContact O-N 2.69Å
694Y39.2Very low42.6Very low220 Ų220125 Ų12586%0.86380%0.797SS**PPolyproline II helixtrans-57.9128.1-179.6-77.4-81.8000111P692P692-Y694 PolarHBondContact O-N 3.24Å
695S45.9Very low42.6Very low113 Ų113125.3 Ų125.379%0.7980%0.8SS**PPolyproline II helixtrans-60.1135.1-172.852.50000112.4G693G693-S695 PolarHBondContact O-N 2.69Å
696G42.8Very low42.5Very low70 Ų70120.6 Ų120.672%0.72279%0.794SS**PPolyproline II helixtrans-56.9141.1175.200000112.4
697L41Very low42Very low171 Ų171125 Ų12590%0.89580%0.803SS**PPolyproline II helixtrans-54.9129.8179.2-73.9168.3000110.9G699L697-G699 PolarHBondContact O-N 3.37Å
698P53.3Low41.5Very low125 Ų125125.2 Ų125.281%0.81281%0.805SS**PPolyproline II helixtrans-56.3130.8179-27.835.5000112.4S700P698-S700 PolarHBondContact O-N 3.42Å
699G45.4Very low41.2Very low73 Ų73129.1 Ų129.175%0.75381%0.809SS**PPolyproline II helixtrans-57.8135.8179.700000112.4L697 K701L697-G699 PolarHBondContact O-N 3.37Å; G699-K701 PolarHBondContact O-N 3.12Å
700S40.1Very low40.1Very low120 Ų120128.8 Ų128.884%0.83981%0.808SS**PPolyproline II helixtrans-60.4124.1179.248.20000111.1P698 G702P698-S700 PolarHBondContact O-N 3.42Å; S700-G702 PolarHBondContact O-N 3.08Å
701K41Very low39.6Very low205 Ų205132.1 Ų132.189%0.89181%0.81SS**PPolyproline II helixtrans-60.3123.6176.2-72.8-177.4177.1178.10110G699G699-K701 PolarHBondContact O-N 3.12Å
702G37.4Very low39.3Very low73 Ų73133.3 Ų133.375%0.75381%0.807SS**PPolyproline II helixtrans-66.3136.417300000111.7S700S700-G702 PolarHBondContact O-N 3.08Å
703I39.2Very low38.2Very low162 Ų162134.4 Ų134.483%0.83181%0.805SS**PPolyproline II helixtrans-85128.4172.3-60176.9000108.2
704P43.4Very low37.7Very low123 Ų123138.4 Ų138.480%0.79981%0.807SS**PPolyproline II helixtrans-64140.3-178.5-23.234.1000113.5
705G32.7Very low37.7Very low80 Ų80132.7 Ų132.783%0.82580%0.797SS**PPolyproline II helixtrans-97.5143.917500000113
706A32.8Very low37.2Very low90 Ų90135.3 Ų135.374%0.74480%0.797SS**  trans-150.8131.3172.400000113.2
707K34.3Very low37Very low214 Ų214137.3 Ų137.393%0.9379%0.79SS**  trans58.2113.3157-60.1175.8-177.5176.70118
708G31.6Very low36.4Very low71 Ų71135.8 Ų135.873%0.73279%0.788SS**  trans-101171.9157.800000112.3
709Y32.8Very low35.4Very low241 Ų241134.6 Ų134.695%0.94577%0.77SS**  trans-134145.8159.3-124.1-95.5000107.8
710C28.9Very low34.7Very low113 Ų113133.7 Ų133.776%0.76476%0.761SS**  trans-117.7146.3-171.2-64.20000111.5
711D33.9Very low34.3Very low138 Ų138134.5 Ų134.574%0.73876%0.76SS**  trans-156.5113.7132.1-118-18.5000113.9
712R33.3Very low34.1Very low206 Ų206129.1 Ų129.178%0.77775%0.749SS**  trans51.4133.8135-65.816792.3161.66.7120.3
713I31Very low34Very low136 Ų136128.6 Ų128.670%0.69774%0.744SS**  cis-152.6147.78.5-101.9151000110.5
714L32Very low33.8Very low163 Ų163128.7 Ų128.785%0.85375%0.746SS**  trans-151-171.7174.3-123.269.7000107
715P39.1Very low33.4Very low100 Ų100132.8 Ų132.865%0.64975%0.745SS**  cis-132.8-159.5-4.431-6.2000114.3
716Q34.6Very low33.7Very low167 Ų167132 Ų13278%0.7874%0.737SS**  trans102.8138.1155.7-53.5-167.98.700118.2
717L38.7Very low33.7Very low112 Ų112137 Ų13759%0.58674%0.742SS**  cis-137101.25.5-166.176.2000113.5K719L717-K719 HydrophobicContact CD1-CB 4.47Å; L717-K719 HydrophobicContact CG-CB 4.38Å
718T29.2Very low34.1Very low139 Ų139132.4 Ų132.485%0.85373%0.734SS**  trans-88.6141137.439.70000108
719K32.6Very low34.3Very low100 Ų100132.4 Ų132.444%0.43573%0.734SS.*  trans-129.690.4172.4-171.4-177.7-179.8-178.40107.8D243 Y245 L717 V721D243-K719 IonicContact OD1-NZ 3.96Å; D243-K719 PolarHBondContact OD1-NZ 3.17Å; Y245-K719 HydrophobicContact CE2-CG 4.24Å; Y245-K719 WeakPolarHBondContact OH-CG 3.11Å; L717-K719 HydrophobicContact CD1-CB 4.47Å; L717-K719 HydrophobicContact CG-CB 4.38Å; K719-V721 PolarHBondContact O-N 2.89Å
720G31.1Very low34.5Very low54 Ų54128.1 Ų128.156%0.55773%0.728SS**PPolyproline II helixtrans-62.6127171.300000109.6Y245Y245-G720 PolarHBondContact OH-O 3.2Å
721V31.6Very low35.2Very low137 Ų137128.6 Ų128.683%0.8373%0.729SS**PPolyproline II helixtrans-84.1141.8164.9-178.30000107.1K719K719-V721 PolarHBondContact O-N 2.89Å
722S35.7Very low35.4Very low93 Ų93125.4 Ų125.465%0.6573%0.729SS**PPolyproline II helixtrans-56.7150.1175.2-175.40000110.6
723G35.8Very low35.7Very low62 Ų62123.4 Ų123.464%0.63973%0.733SS**PPolyproline II helixtrans-56.7148.3156.600000109.7R725G723-R725 PolarHBondContact O-N 3.23Å
724D34.4Very low36.3Very low163 Ų163122.8 Ų122.887%0.87274%0.738SS**PPolyproline II helixtrans-58.3124.9-177.6-71.9-60000110.6G726D724-G726 PolarHBondContact O-N 3.37Å; D724-G726 VanDerWaalsContact O-N 3.12Å
725R35.2Very low36.8Very low209 Ų209118.4 Ų118.479%0.78973%0.732SS**PPolyproline II helixtrans-61.7116.4165.6173.9-177.1-73179.8-6.2106G723 F727G723-R725 PolarHBondContact O-N 3.23Å; R725-F727 PolarHBondContact O-N 2.66Å
726G38.4Very low36.6Very low63 Ų63122.9 Ų122.965%0.64975%0.745SS**PPolyproline II helixtrans-47.8135.7177.300000110.8D724D724-G726 PolarHBondContact O-N 3.37Å; D724-G726 VanDerWaalsContact O-N 3.12Å
727F34.2Very low36.9Very low195 Ų195124.2 Ų124.286%0.85575%0.751SS**PPolyproline II helixtrans-56.3146.8172.1-72.7-87.8000109.1R725 G729R725-F727 PolarHBondContact O-N 2.66Å; F727-G729 PolarHBondContact O-N 3.06Å
728P41.2Very low37.1Very low118 Ų118121.9 Ų121.977%0.76675%0.753SS**PPolyproline II helixtrans-50.8138.2170.9-23.433.7000109.4
729G37.4Very low37.4Very low71 Ų71121.2 Ų121.273%0.73276%0.755SS**PPolyproline II helixtrans-54.2143.1172.100000109.9F727F727-G729 PolarHBondContact O-N 3.06Å
730D36.9Very low37.9Very low152 Ų152125.7 Ų125.781%0.81378%0.777SS**PPolyproline II helixtrans-50.1135.5-176.4-66.9-67.3000110.6G732D730-G732 PolarHBondContact O-N 3.45Å
731P43.2Very low38.5Very low122 Ų122126.4 Ų126.479%0.79279%0.785SS**PPolyproline II helixtrans-51.4121.6175.1-26.234.6000109.4L733P731-L733 PolarHBondContact O-N 2.04Å
732G38.9Very low38.6Very low72 Ų72132.5 Ų132.574%0.74279%0.793SS**PPolyproline II helixtrans-49.7127.5-172.600000110.8D730D730-G732 PolarHBondContact O-N 3.45Å
733L37.8Very low39.1Very low163 Ų163134.1 Ų134.185%0.85380%0.804SS**PPolyproline II helixtrans-49.2133.3179.8-71.4169.9000109.2P731 G735P731-L733 PolarHBondContact O-N 2.04Å; L733-G735 PolarHBondContact O-N 2.84Å; L733-G735 VanDerWaalsContact O-N 3.08Å
734P45.4Very low39.5Very low123 Ų123134.6 Ų134.680%0.79981%0.809SS**PPolyproline II helixtrans-50.1122.3170.7-26.234.8000108.9
735G41.4Very low39.6Very low71 Ų71136.2 Ų136.273%0.73281%0.813SS**PPolyproline II helixtrans-55142-169.900000111.7L733 Q737L733-G735 PolarHBondContact O-N 2.84Å; L733-G735 VanDerWaalsContact O-N 3.08Å; G735-Q737 PolarHBondContact O-N 2.84Å
736E35.8Very low39.9Very low195 Ų195136.5 Ų136.591%0.91182%0.821SS**PPolyproline II helixtrans-53.7119.1-175-69.3-158.2141.100111G738E736-G738 PolarHBondContact O-N 3.34Å; E736-G738 VanDerWaalsContact O-N 3.09Å
737Q39.3Very low40.2Very low195 Ų195136.9 Ų136.991%0.91183%0.825SS**  trans-63.5114.7173.4-178.3176.4-26.900108G735G735-Q737 PolarHBondContact O-N 2.84Å
738G44.5Very low40.5Very low62 Ų62134.4 Ų134.464%0.63983%0.826SS**  trans-51.3140-162.200000115.2E736 Q740E736-G738 PolarHBondContact O-N 3.34Å; E736-G738 VanDerWaalsContact O-N 3.09Å; G738-Q740 PolarHBondContact O-N 2.81Å
739S34.6Very low40.7Very low126 Ų126136 Ų13688%0.88183%0.834SS**  trans-64.488.5-176.459.10000112.7G741S739-G741 PolarHBondContact O-N 3.47Å
740Q43.1Very low40.9Very low193 Ų193136.2 Ų136.290%0.90284%0.836SS**  trans-79.5103-174-169.8174.91.300112.7G738G738-Q740 PolarHBondContact O-N 2.81Å
741G44.7Very low41Very low70 Ų70136.9 Ų136.972%0.72284%0.838SS**  trans69.392.6152.300000118S739 S743S739-G741 PolarHBondContact O-N 3.47Å; G741-S743 PolarHBondContact O-N 3.45Å
742R32.7Very low40.9Very low265 Ų265137.1 Ų137.1100%184%0.84SS**  trans-82.6111.6170.5-160.1-176.7-163.3-1576.4111.2
743S45.9Very low40.9Very low126 Ų126137.6 Ų137.688%0.88184%0.844SS**  trans-156.4133175.3-174.40000110.2G741G741-S743 PolarHBondContact O-N 3.45Å
744G44.8Very low40.8Very low72 Ų72134.9 Ų134.974%0.74285%0.846SS**  cis-168.8153.1-7.800000109.6
745M36Very low40.7Very low197 Ų197139.1 Ų139.197%0.9785%0.846SS**  trans-94.7133.5-171-76.117965.400115.2
746K41.4Very low40.6Very low216 Ų216138.6 Ų138.694%0.93984%0.841SS**  trans-162.4140.2163.8-107.4179.5176.8177.80107.6
747G44.8Very low40.6Very low71 Ų71133.8 Ų133.873%0.73282%0.82SS**  cis-175.1159.5-8.400000109.3
748T41.5Very low41.1Very low143 Ų143128.4 Ų128.488%0.87780%0.802SS**  trans-113.8119.8-167.153.40000116.1
749T44.8Very low40.8Very low152 Ų152126.7 Ų126.793%0.93379%0.785SS**  trans-166.3145.3162.723.10000108
750G42.1Very low40.8Very low75 Ų75127.7 Ų127.777%0.77378%0.78SS**  cis-179.2155.5-8.200000110.3
751L39.2Very low40.5Very low165 Ų165126.3 Ų126.386%0.86478%0.779SS**  trans-93.3164.3166-74.2168.2000109
752P40.6Very low40.2Very low128 Ų128126.3 Ų126.383%0.83178%0.779SS**  cis-136.8-176.315.542.4-24.7000115.9
753G39.1Very low40.3Very low81 Ų81125.3 Ų125.384%0.83578%0.775SS**  trans173.3123.2164.500000115.1
754A34.6Very low39.9Very low107 Ų107125.4 Ų125.488%0.88477%0.773SS**  trans-144.7150.5179.400000109.3
755R44Very low39.6Very low211 Ų211125 Ų12580%0.79677%0.769SS**  cis-157.9154.5-0.9165.9-177.8-178.2-160.41.6108.5I757R755-I757 HydrophobicContact CG-CG1 4.3Å; R755-I757 VanDerWaalsContact CZ-CD1 3.48Å
756G38.4Very low39.6Very low61 Ų61121.6 Ų121.663%0.62976%0.759SS**  trans-129.8161165.700000112.6
757I36.5Very low39.7Very low93 Ų93121 Ų12148%0.47776%0.757SS.*  trans-160.8161.4-177.1-19.3168.9000108.8R755 G1434R755-I757 HydrophobicContact CG-CG1 4.3Å; R755-I757 VanDerWaalsContact CZ-CD1 3.48Å; I757-G1434 CarbonylContact O-C 3.55Å; I757-G1434 WeakPolarHBondContact O-CA 3.09Å
758P49.1Very low39.4Very low83 Ų83120.5 Ų120.554%0.53975%0.751SS.*  -102.8-171-6335.2-21.5000112.2P1433 G1434P758-P1433 CarbonylContact O-C 3.3Å; P758-P1433 VanDerWaalsContact O-C 3.23Å; P758-P1433 VanDerWaalsContact O-CA 3.29Å; P758-P1433 WeakPolarHBondContact O-CA 3.47Å; P758-G1434 WeakPolarHBondContact O-CA 3.33Å; P758-G1434 PolarHBondContact O-N 3.41Å
759G38.3Very low39.1Very low26 Ų26123.5 Ų123.527%0.26875%0.753SS.*  trans-173166.3165.500000108.6G1431G759-G1431 CarbonylContact C-O 3.53Å; G759-G1431 VanDerWaalsContact O-O 3.07Å
760D35.4Very low38.9Very low146 Ų146125.8 Ų125.878%0.78175%0.75SS**  trans-126.9167.1-160-66.7-65.5000116.1
761D36.8Very low38.8Very low164 Ų164125.4 Ų125.488%0.87775%0.746SS**  trans66.3140.5165.8-76.6-38.6000122.3
762G39.1Very low38.4Very low71 Ų71127 Ų12773%0.73275%0.749SS**  trans154.176178.400000116.7
763R33.6Very low38.3Very low244 Ų244132.1 Ų132.192%0.92175%0.751SS**  trans-111.3172.1160.4-74.6-179.7170.7-177.1-0.5108.9
764P39.1Very low38.3Very low128 Ų128130.9 Ų130.983%0.83174%0.739SS**  cis-120.6-172.5-11.133.7-14000112.1
765G37.7Very low38.2Very low64 Ų64135.8 Ų135.866%0.6674%0.74SS**  cis157.4-150.4-7.300000113.4
766V35.1Very low38.3Very low124 Ų124131.1 Ų131.175%0.75274%0.738SS**  trans74.8132.3168.5-129.60000120.9
767F44Very low38.3Very low205 Ų205130.7 Ų130.790%0.89973%0.733SS**  trans50.6136.4171.4-61.9-67.9000119.7
768G38.7Very low38.1Very low60 Ų60131.9 Ų131.962%0.61976%0.757SS**  cis-171.3162.3-3.900000113.6
769F34.3Very low37.6Very low206 Ų206135.3 Ų135.390%0.90477%0.769SS**  trans68.997.6172.2-60.9-73.1000120.8
770K41.7Very low37.6Very low200 Ų200136.9 Ų136.987%0.8779%0.785SS**  63.653.9126.6-153.4-170.6178.5-172.70118.5
771G39.2Very low37.7Very low67 Ų67142.3 Ų142.369%0.69180%0.795SS**  trans-64.8151.5152.500000112R773G771-R773 PolarHBondContact O-N 3.48Å
772E30.6Very low37.8Very low199 Ų199140.2 Ų140.293%0.9379%0.79SS**  trans-64.5104.1173.6-64.8-170.512600110.5G774E772-G774 PolarHBondContact O-N 2.81Å
773R40.2Very low37.6Very low234 Ų234140.7 Ų140.788%0.88380%0.795SS**  trans-78.595.6177.6-168.7175.1-63.2-179.62.2109.4G771G771-R773 PolarHBondContact O-N 3.48Å
774G39Very low37.4Very low56 Ų56139.1 Ų139.158%0.57780%0.795SS**  trans-58.1169.5177.900000114.3E772 P776E772-G774 PolarHBondContact O-N 2.81Å; G774-P776 VanDerWaalsContact O-CD 3.29Å; G774-P776 WeakPolarHBondContact O-CD 3.23Å; G774-P776 VanDerWaalsContact O-N 3.11Å
775F31.4Very low37.6Very low209 Ų209137.1 Ų137.192%0.91779%0.79SS**  trans-28.6103.9-174.7-62.1-87.2000115.3G777F775-G777 PolarHBondContact O-N 2.04Å
776P46.4Very low37.6Very low113 Ų113138 Ų13873%0.73480%0.798SS**  trans-59.6127.1160-18.932.9000108.2G774G774-P776 VanDerWaalsContact O-CD 3.29Å; G774-P776 WeakPolarHBondContact O-CD 3.23Å; G774-P776 VanDerWaalsContact O-N 3.11Å
777G38.4Very low37.7Very low52 Ų52140.8 Ų140.854%0.53680%0.803SS.*  trans-65.4173.3-17500000113.6F775 I779F775-G777 PolarHBondContact O-N 2.04Å; G777-I779 VanDerWaalsContact C-N 3.27Å; G777-I779 PolarHBondContact O-N 3.13Å
778A33Very low37.5Very low118 Ų118139.7 Ų139.798%0.97581%0.805SS**  trans-67.481.9174.500000111.4
779I37.5Very low37.4Very low156 Ų156139.9 Ų139.980%0.881%0.806SS**  trans-93.7107.6177.9-65.1177.1000109.3G777G777-I779 VanDerWaalsContact C-N 3.27Å; G777-I779 PolarHBondContact O-N 3.13Å
780G37.6Very low37.3Very low59 Ų59137 Ų13761%0.60880%0.8SS**  trans70.4120.7152.300000118.2P782G780-P782 WeakPolarHBondContact O-CD 3.15Å
781R38.7Very low37.1Very low260 Ų260139.5 Ų139.598%0.98181%0.805SS**  trans-87.2116135.1-82.4-177.7167.5-172.8-2.8108.3
782P37.7Very low37.3Very low119 Ų119139.6 Ų139.677%0.77381%0.805SS**  trans-130.3147.6148.512.99.1000112.6G780G780-P782 WeakPolarHBondContact O-CD 3.15Å
783G36.2Very low37.5Very low81 Ų81137.5 Ų137.584%0.83580%0.799SS**  trans90.9129.4163.300000116.6
784F29.2Very low37.4Very low211 Ų211129.9 Ų129.993%0.92578%0.776SS**  trans-107.8136.2171.6-95.4-90.3000111.5
785A42.8Very low37.2Very low87 Ų87129.9 Ų129.972%0.71978%0.776SS**  trans33.9134.6143.900000122.8
786G37.2Very low37.3Very low81 Ų81127.8 Ų127.884%0.83577%0.767SS**  trans-100.6152138.100000110.6
787Q37.6Very low36.8Very low183 Ų183134.3 Ų134.386%0.85578%0.777SS**  trans-111.4159.3-173.2-62.5-175.53.500114
788I39Very low36.6Very low183 Ų183135 Ų13594%0.93878%0.784SS**  trans-177.6157.9133.3-95.7154.8000109.1
789G38.2Very low36.8Very low63 Ų63136.5 Ų136.565%0.64977%0.771SS**  trans152.9-114.9167.100000116.8
790N31.7Very low36.8Very low145 Ų145133.2 Ų133.278%0.77576%0.76SS**  trans65.5112.8-179.4-78.6-70.1000119.1
791R37.7Very low36.8Very low254 Ų254131.7 Ų131.796%0.95874%0.744SS**  -155.9102.8127.1-160.5169.3-173.1166.22.9115.8
792G44Very low36.4Very low68 Ų68123.6 Ų123.670%0.70172%0.716SS**  trans56.2102.2133.400000121.8
793L33.3Very low36.7Very low155 Ų155123.4 Ų123.481%0.81271%0.705SS**  trans-83.7-177.9149.7-66.2163.8000109
794D39.4Very low37.3Very low74 Ų74122.3 Ų122.340%0.39669%0.694SS.*  cis-163.8167.925.1-148-16.6000112.5K370 P418K370-D794 IonicContact NZ-OD2 2.73Å; K370-D794 PolarHBondContact NZ-OD2 2.88Å; P418-D794 VanDerWaalsContact CD-CG 3.43Å; P418-D794 WeakPolarHBondContact CD-OD1 3.26Å; P418-D794 VanDerWaalsContact CD-OD2 3.28Å; P418-D794 WeakPolarHBondContact CD-OD2 3.07Å
795G34.3Very low37.6Very low56 Ų56117.4 Ų117.458%0.57768%0.683SS**  trans162.6105.9170.800000118.1
796F33.6Very low38Very low165 Ų165118.7 Ų118.772%0.72468%0.684SS**  trans-104.1168.8164.9-80.6-162.1000109.4P418P418-F796 HydrophobicContact CB-CD1 3.71Å; P418-F796 HydrophobicContact CB-CE1 3.57Å; P418-F796 HydrophobicContact CB-CE2 4.4Å; P418-F796 HydrophobicContact CB-CG 4.19Å; P418-F796 HydrophobicContact CB-CZ 3.94Å; P418-F796 HydrophobicContact CG-CD1 3.7Å; P418-F796 HydrophobicContact CG-CD2 3.61Å; P418-F796 HydrophobicContact CG-CE1 3.61Å; P418-F796 HydrophobicContact CG-CE2 3.51Å; P418-F796 HydrophobicContact CG-CG 3.69Å; P418-F796 HydrophobicContact CG-CZ 3.51Å
797R35.6Very low38.3Very low250 Ų250118.4 Ų118.494%0.94368%0.682SS**  cis-153.2151.326.4178.1-175.1-177.4-174.32.7110.2
798G33.4Very low38.2Very low67 Ų67118.5 Ų118.569%0.69169%0.687SS**  trans171.4101.4166.800000116
799E37.4Very low38Very low150 Ų150119.7 Ų119.770%0.70169%0.685SS**  trans-72.3154.9154.4-97.1-159.7-151.400109.8
800P38Very low37.9Very low87 Ų87120.1 Ų120.157%0.56569%0.69SS**  cis-137.3173.337.420.55.7000116.5R1400P800-R1400 HydrophobicContact CB-CG 3.97Å; P800-R1400 HydrophobicContact CG-CG 4.42Å
801G38.7Very low37.9Very low27 Ų27120.4 Ų120.428%0.27869%0.687SS.*  cis144.6-122.815.300000113.2R1400 G1401G801-R1400 VanDerWaalsContact C-CA 3.43Å; G801-R1400 VanDerWaalsContact C-CG 3.44Å; G801-R1400 CarbonylContact O-C 3.43Å; G801-R1400 VanDerWaalsContact O-CA 3.24Å; G801-R1400 WeakPolarHBondContact O-CA 3.37Å; G801-G1401 PolarHBondContact O-N 2.84Å
802F29Very low37.8Very low89 Ų89117.9 Ų117.939%0.3968%0.683SS.*  trans-154.2143.4-160.73.3-78.1000116.8R1400 G1401 L1402 P1403F802-R1400 VanDerWaalsContact O-CD 3.26Å; F802-R1400 WeakPolarHBondContact O-CD 3.02Å; F802-R1400 PolarHBondContact O-NE 2.97Å; F802-G1401 VanDerWaalsContact CA-N 3.31Å; F802-G1401 WeakPolarHBondContact CA-O 3.26Å; F802-G1401 WeakPolarHBondContact CB-O 3.03Å; F802-L1402 VanDerWaalsContact CB-CA 3.44Å; F802-L1402 HydrophobicContact CB-CD2 4.34Å; F802-P1403 VanDerWaalsContact CB-CD 3.44Å; F802-P1403 HydrophobicContact CB-CG 4Å; F802-P1403 HydrophobicContact CD2-CG 3.88Å; F802-P1403 HydrophobicContact CG-CG 3.95Å
803Q44.6Very low37.6Very low115 Ų115116.6 Ų116.654%0.53767%0.669SS.*  87.7133-51.4-61.1-173-50.200127.2R1400 G1401 L1402Q803-R1400 HydrophobicContact CB-CB 3.67Å; Q803-R1400 WeakPolarHBondContact CB-O 3.5Å; Q803-R1400 HydrophobicContact CG-CB 3.95Å; Q803-G1401 CarbonylContact O-C 2.92Å; Q803-G1401 WeakPolarHBondContact O-CA 3.42Å; Q803-L1402 VanDerWaalsContact C-CG 3.5Å; Q803-L1402 VanDerWaalsContact O-CA 3.27Å; Q803-L1402 WeakPolarHBondContact O-CA 3.25Å; Q803-L1402 WeakPolarHBondContact O-CB 3.42Å; Q803-L1402 WeakPolarHBondContact O-CG 3.01Å; Q803-L1402 PolarHBondContact O-N 3.36Å
804G48.4Very low37.6Very low58 Ų58116.9 Ų116.960%0.59867%0.668SS**PPolyproline II helixtrans-85.8174-145.300000125.4
805P36.5Very low37.3Very low108 Ų108119.5 Ų119.570%0.70168%0.681SS**PPolyproline II helixtrans-73.2144-176.330.1-36.7000113.8
806P50.4Low37.3Very low114 Ų114120.8 Ų120.874%0.7469%0.694SS**PPolyproline II helixtrans-67.3135.5176.4-20.833.5000113.5
807G44.7Very low37.3Very low76 Ų76120.9 Ų120.978%0.78470%0.697SS**PPolyproline II helixtrans-66.9153.6175.600000114.1
808L34.6Very low37.2Very low184 Ų184117 Ų11796%0.96369%0.689SS**PPolyproline II helixtrans-69.7145.4178.9-72.7168.3000112.4
809K35.2Very low37.3Very low208 Ų208118 Ų11890%0.90470%0.699SS**PPolyproline II helixtrans-101.4121.7-175.3-172.8178.6-177.8-179.70110.8
810G36.1Very low37.1Very low73 Ų73117 Ų11775%0.75370%0.699SS**  trans-135.658.2-166.500000117.5
811Q30.8Very low37.2Very low150 Ų150117.2 Ų117.270%0.70170%0.7SS**  trans52.8115.1162.2-65.1-172.7-4.200121.3
812K35.9Very low36.7Very low202 Ų202119.5 Ų119.588%0.87872%0.724SS**  trans-59.3140.4139.5172.9-176.4179.6179.90109.4
813G40.8Very low36.9Very low40 Ų40126.3 Ų126.341%0.41275%0.747SS.*  cis-134.9-120.8-27.100000106.7K218K218-G813 PolarHBondContact NZ-O 3.17Å
814M33.1Very low36.5Very low161 Ų161126.4 Ų126.479%0.79376%0.755SS**  cis-160.2169.7-12.2-67.4-176.260.300104.7
815I32.4Very low35.8Very low130 Ų130127.9 Ų127.967%0.66776%0.757SS**  cis-116.1158.32.1-82175.6000109E817I815-E817 HydrophobicContact CG2-CB 4.04Å; I815-E817 HydrophobicContact CG2-CG 4.04Å; I815-E817 VanDerWaalsContact CG2-N 3.34Å
816G34.7Very low35.6Very low83 Ų83133.6 Ų133.686%0.85677%0.766SS**  trans-144.464.5163.700000109.8
817E33.5Very low35Very low167 Ų167132.1 Ų132.178%0.7876%0.763SS**  trans-75.7126176.1-84.6-173.6156.500110.8I815I815-E817 HydrophobicContact CG2-CB 4.04Å; I815-E817 HydrophobicContact CG2-CG 4.04Å; I815-E817 VanDerWaalsContact CG2-N 3.34Å
818Q33.4Very low34.7Very low168 Ų168133.9 Ų133.979%0.78576%0.764SS**  trans55.597.1147.8-151.9162.511.400117.8
819G34.4Very low34.5Very low87 Ų87135.6 Ų135.690%0.89776%0.763SS**  trans-135.333.6168.600000111.9
820D33.6Very low34.7Very low130 Ų130129.4 Ų129.470%0.69576%0.758SS**  trans-61.8165.1174.4-95-44.3000112.9
821P40.1Very low34.4Very low91 Ų91134 Ų13459%0.59176%0.764SS**  cis-136.9-170.9-13.735.1-15.7000112.7R823P821-R823 PolarHBondContact O-N 3.33Å
822G29.6Very low34.4Very low76 Ų76137.1 Ų137.178%0.78478%0.775SS**SBendtrans-62.3109.1137.700000109.5V824G822-V824 PolarHBondContact O-N 3Å
823R31.4Very low34.5Very low231 Ų231130.9 Ų130.987%0.87277%0.769SS**SBendtrans-33135.3163.9-105.4-178.8163.6-152.1-0.7110.5P821P821-R823 PolarHBondContact O-N 3.33Å
824V36.2Very low34.3Very low117 Ų117137.1 Ų137.171%0.70979%0.792SS**  cis-140.414025.6177.20000112.5G822G822-V824 PolarHBondContact O-N 3Å
825S35.4Very low34.5Very low90 Ų90137.4 Ų137.463%0.62979%0.791SS**  trans-1.4141.5149.7-47.80000121.6
826Y31.2Very low34.8Very low227 Ų227133.7 Ų133.789%0.8979%0.785SS**  trans27.4136.6133.7-60.8-89.4000119.3
827A37.9Very low35.1Very low83 Ų83136.4 Ų136.469%0.68679%0.785SS**  -164.9177.751.700000116.2
828S37.8Very low35.5Very low113 Ų113134.8 Ų134.879%0.7979%0.789SS**  trans61.9115.8150.850.50000122
829K30.7Very low35.5Very low221 Ų221130.5 Ų130.596%0.96179%0.789SS**  trans13.8115.1144.4-64.2179.1177.4178.20118.8
830G40.7Very low35.2Very low77 Ų77132.2 Ų132.279%0.79479%0.787SS**  trans-167.3142.5157.900000110.3
831I29.3Very low35.2Very low170 Ų170134.5 Ų134.587%0.87280%0.798SS**  trans-122143.5-176.3-37.8176.2000110.2
832K29.9Very low34.9Very low215 Ų215133.5 Ų133.594%0.93580%0.804SS**  trans68.1156.6-172.1-62.2-179175.7177.50113.8
833G39.3Very low35.5Very low72 Ų72138 Ų13874%0.74281%0.809SS**  trans134.664.5177.600000114Q835G833-Q835 PolarHBondContact O-N 2.92Å; G833-Q835 VanDerWaalsContact O-N 3.11Å
834L35.8Very low35.7Very low171 Ų171133.6 Ų133.690%0.89581%0.81SS**  trans-72.497.9158.1-86.5107.3000108
835Q37.8Very low35.5Very low166 Ų166131 Ų13178%0.77681%0.807SS**PPolyproline II helixtrans-93.8140.8166.2-159.4164.49.500110.8G833 R1075G833-Q835 PolarHBondContact O-N 2.92Å; G833-Q835 VanDerWaalsContact O-N 3.11Å; Q835-R1075 PolarHBondContact O-NH2 2.87Å
836G39Very low35.3Very low53 Ų53132.9 Ų132.955%0.54682%0.815SS.*PPolyproline II helixtrans-98.5165.4174.800000112.4
837V39.4Very low35.7Very low140 Ų140129.5 Ų129.585%0.84881%0.812SS**PPolyproline II helixtrans-54.7159.5136.9-81.30000110.1
838P41.6Very low35.6Very low133 Ų133128.8 Ų128.886%0.86481%0.813SS**  cis-130.2-175.110.641.1-24.9000114.5
839G33.4Very low35.8Very low77 Ų77132 Ų13279%0.79482%0.818SS**  trans171.4119.2163.900000111.8
840S29.3Very low36Very low123 Ų123127.8 Ų127.886%0.8681%0.813SS**  trans-145.566.3-178.163.40000112.9
841I34.4Very low35.9Very low179 Ų179126.7 Ų126.792%0.91880%0.802SS**  trans-145134.9162.9-52.4178.4000105.1
842G33.2Very low36.3Very low69 Ų69127.6 Ų127.671%0.71181%0.808SS**  cis-167.5170.1-5.900000110.4
843L42.3Very low36.4Very low172 Ų172127.2 Ų127.290%0.90181%0.806SS**  trans-95156.2171.6-67166.5000109.5
844P36Very low36.1Very low137 Ų137127.1 Ų127.189%0.8981%0.805SS**  -146.7160.294.938.6-23.7000115.6
845G30.9Very low36Very low62 Ų62129.4 Ų129.464%0.63981%0.808SS**  trans133.697.1158.500000116.3
846T32Very low36Very low130 Ų130127.6 Ų127.680%0.79881%0.811SS**  trans57.8153.2159.562.60000118.7
847D38.5Very low35.8Very low156 Ų156128.7 Ų128.783%0.83482%0.823SS**  cis-157152.7-31.3-87.7-31.7000105
848G37.3Very low35.4Very low69 Ų69134 Ų13471%0.71183%0.827SS**  cis-163.1141.3-11.500000106.8
849M40.9Very low35.3Very low180 Ų180133 Ų13389%0.88782%0.824SS**  trans-72164-171.5-54.7-173.69000112.7
850P34.7Very low35.2Very low132 Ų132133 Ų13386%0.85782%0.823SS**  -140.6114.7106.330.9-15.1000116
851G39Very low35.3Very low55 Ų55135.9 Ų135.957%0.56783%0.828SS**  49105.212800000121.7K853G851-K853 PolarHBondContact O-N 3.49Å
852L36.8Very low35.3Very low189 Ų189135.9 Ų135.999%0.9982%0.817SS**  trans-71.2108.2138.2-81.4167.4000108.4
853K31.9Very low35.5Very low206 Ų206136.2 Ų136.290%0.89682%0.819SS**  trans-137.9103.7-179.3-163.2175.9-174.2179.80114.2G851G851-K853 PolarHBondContact O-N 3.49Å
854G34.2Very low35.1Very low71 Ų71133.5 Ų133.573%0.73281%0.81SS**  trans81.2143.215300000117.6
855F33.2Very low35.2Very low219 Ų219131.1 Ų131.196%0.96179%0.79SS**  trans-93.1114.5154.6-74.2-88.7000108.2
856P38.2Very low35.6Very low127 Ų127130.9 Ų130.983%0.82579%0.788SS**  trans-82161.6171.3-11.930.3000112.2
857G35.1Very low35.7Very low77 Ų77126.3 Ų126.379%0.79476%0.761SS**  trans-75.7-178-174.100000116.5S859G857-S859 PolarHBondContact O-N 2.03Å
858R31.2Very low35.9Very low250 Ų250127.5 Ų127.594%0.94376%0.755SS**  trans-75.8105.5-175.6-86-174.1170.1-171.8-2.4114.1
859S37.8Very low36.2Very low114 Ų114126.9 Ų126.980%0.79775%0.749SS**  57.5130.8129.562.50000122.4G857G857-S859 PolarHBondContact O-N 2.03Å
860G32.2Very low36.2Very low75 Ų75124.6 Ų124.677%0.77375%0.747SS**  trans-157.9106.8160.600000114.8
861L31.6Very low36.6Very low184 Ų184128.3 Ų128.396%0.96375%0.75SS**  trans60.1-175.1161.9-67168.5000119.9
862R35.1Very low36.8Very low180 Ų180128.9 Ų128.968%0.67976%0.756SS**  trans-139.7143.3-135.7170.8-161.4-97.1-135.14.3115G914 M915R862-G914 PolarHBondContact NH1-O 3.41Å; R862-M915 PolarHBondContact NH2-O 3.02Å
863G37.3Very low36.9Very low75 Ų75130.6 Ų130.677%0.77375%0.751SS**  trans-159.1135.8159.100000112.8
864V32.5Very low38Very low115 Ų115126.9 Ų126.970%0.69775%0.748SS**  trans-78.9154.9-172.5-80.70000115.1
865D38.5Very low38.7Very low87 Ų87126.6 Ų126.647%0.46574%0.744SS.*  cis-142-105.1-26.2-16854.2000112.2R913D865-R913 VanDerWaalsContact CG-CB 3.42Å; D865-R913 WeakPolarHBondContact OD1-CB 3.27Å; D865-R913 WeakPolarHBondContact OD2-CB 3.05Å; D865-R913 PolarHBondContact OD2-N 3.4Å
866G40Very low39.1Very low58 Ų58122.4 Ų122.460%0.59874%0.739SS**  cis-161.8137.2-0.800000111.4
867S34Very low39.4Very low33 Ų33126.2 Ų126.223%0.23174%0.743CS.*  trans-127.1156.8-131.5580000120.7K910 G911 I912S867-K910 WeakPolarHBondContact O-CA 3.39Å; S867-K910 WeakPolarHBondContact O-CB 3.19Å; S867-K910 VanDerWaalsContact O-CD 3.27Å; S867-K910 WeakPolarHBondContact O-CD 3.45Å; S867-K910 WeakPolarHBondContact O-CG 3.26Å; S867-G911 PolarHBondContact O-N 2.87Å; S867-G911 WeakPolarHBondContact OG-CA 3.05Å; S867-I912 PolarHBondContact OG-N 3.02Å
868Y42.4Very low39.9Very low182 Ų182126.1 Ų126.171%0.71474%0.742SS**  trans-112.2166.8154.9-88.2-46.3000108.4K910Y868-K910 HydrophobicContact CD1-CD 4.32Å; Y868-K910 HydrophobicContact CD1-CG 3.54Å; Y868-K910 HydrophobicContact CE1-CD 4.26Å; Y868-K910 HydrophobicContact CE1-CG 3.41Å; Y868-K910 VanDerWaalsContact CE1-CG 3.41Å; Y868-K910 HydrophobicContact CG-CD 4.46Å; Y868-K910 HydrophobicContact CG-CG 4.15Å
869G43Very low40.2Very low56 Ų56122.9 Ų122.958%0.57774%0.742SS**  cis124.573.97.200000111.7
870P42.8Very low40.5Very low132 Ų132126.5 Ų126.586%0.85775%0.747SS**PPolyproline II helixtrans-82.2153.9-170.333-35.8000114.5
871K42.5Very low41Very low209 Ų209125.7 Ų125.791%0.90974%0.739SS**PPolyproline II helixtrans-77.1127.2-179.8-164.2173.3-174175.30111.1
872G43Very low41.3Very low68 Ų68123.4 Ų123.470%0.70174%0.735SS**PPolyproline II helixtrans-67.4152.9-175.600000114.9
873Y39.1Very low41.5Very low224 Ų224124.4 Ų124.488%0.87874%0.744SS**PPolyproline II helixtrans-69.2144.5176.9-64.7-85.9000112.2G875Y873-G875 PolarHBondContact O-N 2.91Å
874P53.8Low41.3Very low129 Ų129124.5 Ų124.584%0.83875%0.745SS**PPolyproline II helixtrans-62.4122.8167.6-2032.7000110.8
875G50Low41.4Very low64 Ų64127.2 Ų127.266%0.6675%0.754SS**PPolyproline II helixtrans-68.7153.7176.900000112.9Y873Y873-G875 PolarHBondContact O-N 2.91Å
876P41.9Very low41.3Very low131 Ų131128.6 Ų128.685%0.85177%0.768SS**PPolyproline II helixtrans-63.4146.7174.828.2-34.7000111.1G878P876-G878 PolarHBondContact O-N 2.88Å
877K43.7Very low40.8Very low207 Ų207131.5 Ų131.590%0.978%0.779SS**PPolyproline II helixtrans-63.9126172.4-75.4-175.7175.6-179.60109.7
878G45.3Very low41Very low75 Ų75138 Ų13877%0.77381%0.809SS**PPolyproline II helixtrans-62.1147.2175.200000112.5P876P876-G878 PolarHBondContact O-N 2.88Å
879L38.1Very low40.8Very low182 Ų182132.6 Ų132.695%0.95381%0.809SS**PPolyproline II helixtrans-68.1139.1174.7-74.2165.9000110.7G881L879-G881 PolarHBondContact O-N 3.41Å
880Q45.1Very low40.4Very low190 Ų190140.2 Ų140.289%0.88882%0.821SS**  trans-81.6114.6178.9-170.8171.625.800109.8
881G42.3Very low40Very low59 Ų59140.7 Ų140.761%0.60881%0.811SS**PPolyproline II helixtrans-63.9149.4178.600000113.1L879L879-G881 PolarHBondContact O-N 3.41Å
882P37.6Very low39.5Very low135 Ų135138.9 Ų138.988%0.87781%0.811SS**PPolyproline II helixtrans-69.1142-178.929.2-34.9000111.7
883K39.8Very low39Very low202 Ų202139.1 Ų139.188%0.87881%0.814SS**PPolyproline II helixtrans-81.6124.3168.5-70.8-175.2176.5-176.60109.7
884G33Very low38.7Very low76 Ų76132.9 Ų132.978%0.78481%0.808SS**PPolyproline II helixtrans-68.7158.3164.700000112.1
885L33.1Very low37.9Very low172 Ų172133.5 Ų133.590%0.90180%0.803SS**  trans-115.3139.2170.6-89.9156.9000109
886P36.6Very low37.2Very low117 Ų117133.8 Ų133.876%0.7681%0.806SS**  trans-93.9157.4-165.436.6-36.1000114.1
887S30.3Very low36.7Very low119 Ų119134.1 Ų134.183%0.83281%0.805SS**  trans-114.5141.9169.445.90000111.3
888I37Very low36.2Very low168 Ų168131.8 Ų131.886%0.86280%0.795SS**  trans-147.4137.2176.5-56.9177.9000106.9
889G38.6Very low36.2Very low69 Ų69131.2 Ų131.271%0.71179%0.789SS**  cis156.3123.6-7.900000113.5
890R35.4Very low36.1Very low216 Ų216134.4 Ų134.482%0.81579%0.788SS**  trans-163.3141.6159.5-85.6-171.5176.6-111.98.3106.1
891E33.8Very low35.8Very low142 Ų142130.9 Ų130.966%0.66478%0.782SS**  cis-145-179.1-13.4-117155.5147.900109.1
892L32.6Very low36Very low171 Ų171131.5 Ų131.590%0.89579%0.788SS**  trans-63.1160-159.4-68.768.8000115.5
893G32Very low35.8Very low74 Ų74132.9 Ų132.976%0.76379%0.787SS**  cis-171.1-169.34.300000112.1
894A32.5Very low35.7Very low92 Ų92129.1 Ų129.176%0.7678%0.783SS**  cis-155147.76.600000114.3
895I37.3Very low36.2Very low142 Ų142129.2 Ų129.273%0.72878%0.784SS**  trans47.2131.1144.1-56.8172.9000120.8
896G34.3Very low36.2Very low70 Ų70125.8 Ų125.872%0.72277%0.774SS**  trans-120.8177.9162.500000112.9
897V32.9Very low36.2Very low138 Ų138129.9 Ų129.984%0.83678%0.78SS**  trans-116.7151.8-168.4-165.30000113.4
898K33.6Very low36.5Very low159 Ų159127.8 Ų127.869%0.69178%0.778SS**  trans-93.6161.5-174-158.7179-166.4174.30111.8E948K898-E948 VanDerWaalsContact NZ-CD 3.28Å; K898-E948 IonicContact NZ-OE1 3.67Å; K898-E948 PolarHBondContact NZ-OE1 3.28Å
899G44.7Very low37Very low62 Ų62125 Ų12564%0.63977%0.771SS**  trans-150.9162.6175.600000114.4
900R36.3Very low36.8Very low249 Ų249128.2 Ų128.294%0.9477%0.765SS**  trans165175.4175-100.7160.5-169.7-121.23.7109.1
901P38.7Very low36.9Very low116 Ų116120.1 Ų120.175%0.75375%0.749SS**  cis-125.4-179.3-30.136.2-19.9000112.2
902G46.2Very low37.4Very low72 Ų72120.8 Ų120.874%0.74276%0.756SS**  trans-111.1160.616900000113.1
903I34Very low37.7Very low165 Ų165122.2 Ų122.285%0.84675%0.749SS**  trans-141.6177.3176-8.8178.4000110.1
904P36.7Very low37.8Very low122 Ų122120.7 Ų120.779%0.79273%0.734SS**  -112.7164-117.739.4-24.9000115.3
905G44.1Very low38Very low78 Ų78124.2 Ų124.280%0.80474%0.736SS**  trans-105.1171.1171.500000113.5
906S32.4Very low38.4Very low101 Ų101123.5 Ų123.571%0.70674%0.741SS**  trans-158.4155.1169.7690000115.5
907F37.4Very low38.4Very low202 Ų202123.4 Ų123.489%0.88674%0.74SS**  trans59.3105.3159.2-52.4-56.9000123.4
908G36.7Very low38.3Very low76 Ų76123.1 Ų123.178%0.78474%0.738SS**  92.3100.3105.300000120.3
909P47.9Very low38.2Very low110 Ų110120.8 Ų120.871%0.71474%0.74SS**  trans-102.6134.4176.135.9-30.1000114.9
910K34.4Very low37.4Very low135 Ų135124.5 Ų124.559%0.58775%0.746SS**  trans-112.8151.4154.7-94-145.5162.5-172.70110.5S867 Y868S867-K910 WeakPolarHBondContact O-CA 3.39Å; S867-K910 WeakPolarHBondContact O-CB 3.19Å; S867-K910 VanDerWaalsContact O-CD 3.27Å; S867-K910 WeakPolarHBondContact O-CD 3.45Å; S867-K910 WeakPolarHBondContact O-CG 3.26Å; Y868-K910 HydrophobicContact CD1-CD 4.32Å; Y868-K910 HydrophobicContact CD1-CG 3.54Å; Y868-K910 HydrophobicContact CE1-CD 4.26Å; Y868-K910 HydrophobicContact CE1-CG 3.41Å; Y868-K910 VanDerWaalsContact CE1-CG 3.41Å; Y868-K910 HydrophobicContact CG-CD 4.46Å; Y868-K910 HydrophobicContact CG-CG 4.15Å
911G36.8Very low37.3Very low47 Ų47120.1 Ų120.149%0.48574%0.739SS.*  trans-109-151-159.100000116.9S867S867-G911 PolarHBondContact O-N 2.87Å; S867-G911 WeakPolarHBondContact OG-CA 3.05Å
912I44.7Very low37Very low155 Ų155124.3 Ų124.380%0.79575%0.746SS**  trans-133.3155.7-157.547.9163.3000113.8S867S867-I912 PolarHBondContact OG-N 3.02Å
913R38.2Very low36.3Very low202 Ų202124.1 Ų124.176%0.76274%0.744SS**  trans-161.8140.3144.4-150.1175.3-176.3-169.6-0.1114.4D865D865-R913 VanDerWaalsContact CG-CB 3.42Å; D865-R913 WeakPolarHBondContact OD1-CB 3.27Å; D865-R913 WeakPolarHBondContact OD2-CB 3.05Å; D865-R913 PolarHBondContact OD2-N 3.4Å
914G33.3Very low36Very low42 Ų42123.7 Ų123.743%0.43374%0.742SS.*  trans130.843.4142.600000122.1R862R862-G914 PolarHBondContact NH1-O 3.41Å
915M37.2Very low35.7Very low166 Ų166128 Ų12882%0.81875%0.748SS**  trans-59.3179.1162.9-85.1-177178.500114.1R862R862-M915 PolarHBondContact NH2-O 3.02Å
916P45.8Very low35Very low126 Ų126127.5 Ų127.582%0.81874%0.743SS**  cis-140.3-173.6-41.940.1-23.6000114
917G33.9Very low35Very low68 Ų68128.5 Ų128.570%0.70175%0.75SS**  trans139147.815200000115.6
918V32.1Very low35.1Very low133 Ų133124.6 Ų124.681%0.80675%0.745SS**  cis-157148.2-2.9171.60000109.5
919C30.5Very low35.7Very low109 Ų109124.5 Ų124.574%0.73674%0.744SS**  trans64.8149.4164.3-77.20000120.4
920D29.1Very low35Very low141 Ų141125.2 Ų125.275%0.75475%0.749SS**  cis-165.7-168.3-28.8-137.7-56.1000111.7
921I34Very low35.3Very low157 Ų157127 Ų12781%0.80576%0.761SS**  trans89.2136.8168.8-47.1173.7000115.2
922K31.4Very low35.4Very low203 Ų203126.3 Ų126.388%0.88375%0.754SS**  trans-114.1146.3-179.7-69.6178.4177.2175.90112.6
923G30.9Very low35.3Very low69 Ų69120.8 Ų120.871%0.71173%0.728SS**  trans119.4160.1154.600000115.1
924I29Very low35.3Very low155 Ų155119.9 Ų119.980%0.79574%0.738SS**  cis-157.7138.5-7.4-114161.9000108.8
925F30.7Very low35.5Very low213 Ų213121.2 Ų121.293%0.93475%0.752SS**  trans54.8148.3165.3-86.5-114.7000120.6
926G28.8Very low35.9Very low67 Ų67118.2 Ų118.269%0.69173%0.731SS**  trans-167.56.1-17300000122
927S32.4Very low35.5Very low122 Ų122124 Ų12485%0.85374%0.737SS**  trans72.2173.7168.796.60000116.2
928P39.3Very low35.7Very low121 Ų121123.8 Ų123.879%0.78673%0.734SS**  trans-127.8162.5-130.331.3-8.8000117.9
929G49.7Very low35.8Very low74 Ų74125.3 Ų125.376%0.76373%0.732SS**  trans-97.6171.2-179.900000116.3
930P32.7Very low36.3Very low125 Ų125125.9 Ų125.981%0.81274%0.735SS**  trans-108.2139.6-175.737.9-30.5000116.1
931M39.7Very low36.5Very low172 Ų172122.5 Ų122.585%0.84773%0.733SS**  trans59119.7139-161.2173.874.300122.2
932G39.1Very low36.6Very low33 Ų33123.3 Ų123.334%0.3474%0.737SS.*  trans-131-156.5130.300000108.2M587M587-G932 WeakPolarHBondContact CE-O 3.47Å; M587-G932 WeakPolarHBondContact CG-O 3.08Å
933P43.8Very low37.3Very low38 Ų38119.2 Ų119.225%0.24773%0.732CS.*  cis-110.1178.8-24.741.3-31000111.3V588 F590V588-P933 HydrophobicContact CB-CG 4.32Å; V588-P933 WeakPolarHBondContact O-CG 3.38Å; F590-P933 HydrophobicContact CD2-CG 4.38Å; F590-P933 HydrophobicContact CE1-CB 4Å; F590-P933 HydrophobicContact CE1-CG 4.31Å; F590-P933 HydrophobicContact CE2-CB 4.02Å; F590-P933 HydrophobicContact CE2-CG 3.79Å; F590-P933 HydrophobicContact CZ-CB 3.48Å; F590-P933 VanDerWaalsContact CZ-CB 3.48Å; F590-P933 HydrophobicContact CZ-CG 3.76Å
934L37.3Very low37.5Very low183 Ų183119.8 Ų119.896%0.95874%0.737SS**  trans-146.2142.4169.7-166.169.4000111.5
935G38.1Very low38.2Very low71 Ų71117.9 Ų117.973%0.73273%0.732SS**  trans109.489.3168.100000116.2
936R46Very low38.3Very low102 Ų102113.8 Ų113.839%0.38573%0.73SS.*  trans-117.885.9-179.7-113-79.8168.9-136.2-4.8112.5F590 P591 G592F590-R936 VanDerWaalsContact C-NE 3.32Å; P591-R936 HydrophobicContact CB-CG 4.24Å; P591-R936 VanDerWaalsContact CD-NH1 3.32Å; P591-R936 HydrophobicContact CG-CG 3.65Å; P591-R936 PolarHBondContact O-NH1 2.76Å; P591-R936 PolarHBondContact O-NH2 2.82Å; G592-R936 PolarHBondContact O-NH1 3.38Å
937R37.5Very low38.6Very low249 Ų249113.4 Ų113.494%0.9473%0.726SS**  trans-159.4131.6173.1-167.8177.6-68.1-165.6-0.8107.2
938G36.6Very low39.2Very low62 Ų62115.5 Ų115.564%0.63972%0.723SS**  cis157.91536.900000105.8P940G938-P940 WeakPolarHBondContact O-CD 3.4Å
939Q35.8Very low39.3Very low165 Ų165115.8 Ų115.877%0.77173%0.725SS**  trans-96.9117.5176.3-82.8-179.9-43.500110.7
940P39.5Very low38.5Very low122 Ų122115.7 Ų115.779%0.79272%0.724SS**  trans-116.597.8172.725.1-3.7000111.4G938G938-P940 WeakPolarHBondContact O-CD 3.4Å
941G33.9Very low38.4Very low69 Ų69117 Ų11771%0.71172%0.724SS**  trans77.5154.716000000118.5
942I35.9Very low38.1Very low174 Ų174116.1 Ų116.189%0.89272%0.721SS**  trans-119.6100.1158.4-59.1174.5000106.7
943P46.7Very low37.7Very low118 Ų118117.7 Ų117.777%0.76674%0.738SS**  trans-89129176.6-9.428.2000112.5
944G34.7Very low37.1Very low80 Ų80126.9 Ų126.983%0.82577%0.769SS**  trans66.1114.9145.100000119.9
945V43.5Very low37.3Very low115 Ų115122.4 Ų122.470%0.69777%0.767SS**  trans-101.4115.6165.2-178.60000110.4
946S32.4Very low37.4Very low127 Ų127122.4 Ų122.489%0.88877%0.767SS**  trans-173.9140153-167.40000108.9
947G36.8Very low37.1Very low59 Ų59123.5 Ų123.561%0.60879%0.787SS**  cis-169.2-173.3-4.200000109.9
948E43.6Very low37.2Very low166 Ų166117.3 Ų117.378%0.77677%0.772SS**  trans-114.9100.6167.5-76.4-171.9142.600110.9K898K898-E948 VanDerWaalsContact NZ-CD 3.28Å; K898-E948 IonicContact NZ-OE1 3.67Å; K898-E948 PolarHBondContact NZ-OE1 3.28Å
949P42.2Very low37.2Very low128 Ų128117.7 Ų117.783%0.83178%0.776SS**  trans-88153.9149.5-3.323.7000109.5
950G32.7Very low37.3Very low72 Ų72117.4 Ų117.474%0.74277%0.768SS**  trans-144.1-142.9-17500000114.6
951D30.3Very low37.7Very low152 Ų152117.9 Ų117.981%0.81377%0.771SS**  trans78.4122166.4-73.3-7000121.6
952I33.2Very low37.8Very low153 Ų153118 Ų11879%0.78577%0.772SS**  trans71.9128.4140-59164.2000119.4
953G31.3Very low38.2Very low67 Ų67117 Ų11769%0.69176%0.764SS**  trans159.595.4154.300000117.8
954Y30.9Very low37.9Very low230 Ų230118.9 Ų118.990%0.90276%0.76SS**  trans-2.8148.8155.7-56.5-91.6000121.8
955G41.2Very low38Very low89 Ų89117.9 Ų117.992%0.91875%0.749SS**  trans162.2109.4154.700000118.7
956G39.9Very low37.8Very low72 Ų72119.4 Ų119.474%0.74275%0.754SS**  trans147.8178.8164.800000112.7
957P40.8Very low38.2Very low124 Ų124121.7 Ų121.781%0.80574%0.743SS**  cis-102.9-117.8-16.814.89.4000110.5
958L38.5Very low38.5Very low119 Ų119122 Ų12262%0.62375%0.746SS**  cis-168.7123.6-2.5-176.161.3000113.8R960L958-R960 HydrophobicContact CD1-CG 4.02Å; L958-R960 HydrophobicContact CG-CG 4.16Å
959G37.7Very low37.8Very low70 Ų70122 Ų12272%0.72275%0.751SS**  trans-173.4109.9165.300000111.8
960R36.8Very low37.1Very low159 Ų159121.9 Ų121.960%0.675%0.753SS**  cis74.8147.434.3-63-168.8167.1-171.70.4114L958L958-R960 HydrophobicContact CD1-CG 4.02Å; L958-R960 HydrophobicContact CG-CG 4.16Å
961P47.6Very low37Very low133 Ų133122 Ų12286%0.86475%0.754SS**  cis-101-172.2123.321.1000113.8
962G37.6Very low37.9Very low70 Ų70123 Ų12372%0.72276%0.758SS**  cis141.7150.72.100000110.3
963Q42.9Very low38.5Very low154 Ų154121.9 Ų121.972%0.7276%0.761SS**  cis-128.1151.514.7-62.2-159.652.100112
964K41.2Very low38.5Very low157 Ų157122.4 Ų122.468%0.68377%0.767SS**  cis73.613344.7155.7-165.9167.8-1140112
965G36.8Very low39.1Very low59 Ų59123.5 Ų123.561%0.60877%0.769SS**  cis-147.3-178.30.400000111.6
966D38.9Very low38.8Very low148 Ų148127.7 Ų127.779%0.79177%0.769SS**  cis-126.91377.7-68.9-54.2000111.4
967R40.3Very low38.3Very low174 Ų174126.8 Ų126.866%0.65776%0.76SS**  cis79.570.143.5-164.5-166.1-178.9175.80.5113.6
968G43.3Very low37.8Very low66 Ų66128.9 Ų128.968%0.6876%0.763SS**  trans-81.2164.8149.900000111.6
969L29.1Very low37.8Very low167 Ų167134.2 Ų134.287%0.87477%0.774SS**  trans176.5169.1149.8-102.9167.9000111.3
970S28.1Very low37.8Very low124 Ų124134.3 Ų134.387%0.86778%0.775SS**  trans68.6147.2179.474.70000116.5
971G31.6Very low37.7Very low74 Ų74132.8 Ų132.876%0.76379%0.786SS**  cis-176.5151.5-7.300000113.2
972L47.9Very low36.9Very low173 Ų173136.7 Ų136.791%0.90679%0.789SS**  trans-97.5164.6164.3-64.6168.7000108.7
973P45.1Very low36.7Very low130 Ų130137 Ų13784%0.84479%0.793SS**  cis-125.3-173.5-9.140.7-25.9000112.7
974G31.5Very low36Very low79 Ų79140.5 Ų140.581%0.81480%0.799SS**  trans-172.7133.4164.900000113.1
975R44.9Very low35.4Very low253 Ų253138 Ų13896%0.95580%0.802SS**  trans-133.180.1179.5-164.9-170.8-165.6-142.57.2112.4
976I33.6Very low35Very low176 Ų176138.4 Ų138.490%0.90381%0.806SS**  trans-137.1133.5162.3-52.6175.8000105.8
977G30.5Very low34.6Very low54 Ų54143.5 Ų143.556%0.55781%0.814SS**  cis162.7120.2-6.700000109.7
978I30.1Very low34.4Very low168 Ų168139.7 Ų139.786%0.86282%0.82SS**  trans53.2175.3-177.966.8169.9000113.8
979R37.6Very low33.8Very low230 Ų230141.5 Ų141.587%0.86883%0.828SS**  cis-145.5118.3-0.4-170176.7-178.8171.6-1.3107.8
980G39.3Very low34Very low72 Ų72138.8 Ų138.874%0.74282%0.823SS**PPolyproline II helixtrans-93.6171.1-177.700000114.5
981P33.6Very low34.5Very low128 Ų128140.1 Ų140.183%0.83183%0.826SS**PPolyproline II helixtrans-91.4152.5165.935.5-32.1000112.9
982K31.3Very low34.9Very low214 Ų214139.7 Ų139.793%0.9382%0.821SS**PPolyproline II helixtrans-64.9159.3160.7-55.6167.9-178.3175.80108.7
983G33.5Very low34.4Very low77 Ų77140.4 Ų140.479%0.79482%0.82SS**  cis-163.5-151.95.400000109.2
984R27.5Very low34Very low227 Ų227144 Ų14486%0.85782%0.822SS**  cis-151.614924.2-162.4-168.8-176.8170.2-0.1110.5
985S30Very low34.3Very low106 Ų106143.5 Ų143.574%0.74182%0.817SS**  trans-65.9171.1161.849.50000111.9
986G27.7Very low34.3Very low66 Ų66139.1 Ų139.168%0.6881%0.813SS**  trans-62.6175.1-170.100000117A988G986-A988 PolarHBondContact O-N 2.86Å
987W31.1Very low35Very low256 Ų256137 Ų13797%0.9781%0.81SS**  trans-70120170.3-88.338.7000111.1
988A34.6Very low35.5Very low94 Ų94138 Ų13878%0.77782%0.82SS**  trans-156.2157.2160.300000109.1G986G986-A988 PolarHBondContact O-N 2.86Å
989A31.4Very low35.8Very low103 Ų103141.4 Ų141.485%0.85182%0.823SS**  trans59.5100.8173.300000117.1
990S33.9Very low36Very low111 Ų111138.4 Ų138.478%0.77682%0.822SS**  trans-65.5-175.7159.944.60000113.7
991V38.3Very low35.9Very low151 Ų151138.1 Ų138.192%0.91582%0.819SS**  trans91.2123.5179.4-172.20000113.9
992G39.1Very low36.6Very low65 Ų65141.2 Ų141.267%0.6782%0.822SS**  cis179.5173.7-7.200000114.1
993Q37Very low37Very low188 Ų188137.2 Ų137.288%0.87982%0.818SS**  trans75.2103.1169.2-55-16116.100121.5
994K37.7Very low37.3Very low205 Ų205136.9 Ų136.989%0.89182%0.815SS**  72.6112.1111.8-163.4179.6-177-178.40122.2
995G38.2Very low38.3Very low69 Ų69133.8 Ų133.871%0.71182%0.815SS**  114.3108.4121.800000119.1
996N43.6Very low38.9Very low162 Ų162134.8 Ų134.887%0.86682%0.82SS**  trans-92164172.6-53.5-38.5000112.5
997P49.3Very low39.8Very low130 Ų130135.2 Ų135.284%0.84482%0.824SS**  -114.7162.4127.8-10.529.7000114.8
998G40.4Very low40.8Very low75 Ų75127.1 Ų127.177%0.77380%0.804SS**  trans-84.3-157.8167.200000112.8
999R37.1Very low41.5Very low240 Ų240132.2 Ų132.291%0.90681%0.812SS**  cis-168.3179.428.4-156.8-178.2-166.5-155.35.7110.3
1000I40.7Very low42Very low168 Ų168128.7 Ų128.786%0.86279%0.786SS**  trans76.2138.8170.9-50.3165.5000113.7
1001G38.8Very low42.9Very low65 Ų65133 Ų13367%0.6779%0.785SS**  cis164.2129.1-8.900000111.8
1002Q47Very low43Very low193 Ų193132 Ų13290%0.90278%0.781SS**  trans-95.1152.4-177.3-67.3178.4-17.800113.1
1003P41Very low43Very low130 Ų130131.6 Ų131.684%0.84478%0.778SS**  trans-108.4160.5137.5-10.730.1000113.2
1004G39.2Very low43.2Very low71 Ų71129.4 Ų129.473%0.73278%0.78SS**  trans-101.7175.6-169.600000117.3
1005N48.1Very low43.7Very low161 Ų161128.4 Ų128.486%0.86178%0.78SS**  trans-92.9152.8-168.4-38.7-86.6000115.1
1006P41.7Very low43.5Very low128 Ų128128.1 Ų128.183%0.83178%0.777SS**  trans-85.8156150.7-13.231000113.6
1007G47.4Very low43.2Very low75 Ų75132.5 Ų132.577%0.77378%0.782SS**  trans-86.9174.9-177.800000116.1
1008P51.5Low42.4Very low86 Ų86135.7 Ų135.756%0.55879%0.786SS**  trans-107.1160-155.139.1-36.3000117A211A211-P1008 HydrophobicContact CB-CG 3.7Å
1009Q49.3Very low42.1Very low201 Ų201135 Ų13594%0.93978%0.779SS**  trans-119.3145156.3-170.1161.7-16.600109.7
1010G41.8Very low42Very low29 Ų29132 Ų13230%0.29978%0.78SS.*  trans-119150.5-162.400000116R212 P1012R212-G1010 PolarHBondContact NH1-O 2.82Å; G1010-P1012 WeakPolarHBondContact O-CD 3.45Å
1011R53.2Low41.6Very low202 Ų202133.5 Ų133.576%0.76278%0.78SS**  trans-45.4133.8-177.8-55.4179.1-175.8-179.3-0114.4R212R212-R1011 PolarHBondContact NH1-O 3.46Å; R212-R1011 PolarHBondContact NH2-O 2.74Å
1012P41.9Very low41.4Very low128 Ų128133.7 Ų133.783%0.83178%0.782SS**  -94.9158.7104.635.4-31.7000109.7G1010G1010-P1012 WeakPolarHBondContact O-CD 3.45Å
1013G37.7Very low41.1Very low58 Ų58129.9 Ų129.960%0.59878%0.776SS**  cis-179.2156-5.900000106.3M1015G1013-M1015 PolarHBondContact O-N 2.87Å
1014P42.3Very low40.9Very low142 Ų142129.7 Ų129.792%0.92278%0.775SS**  trans-68.4102.3-175.127-33.4000111.4
1015M46.9Very low40.6Very low183 Ų183128.7 Ų128.790%0.90177%0.765SS**  trans-60.1130.4161.9-172-172.1-61.400108.2G1013G1013-M1015 PolarHBondContact O-N 2.87Å
1016G34.3Very low39.9Very low63 Ų63128.2 Ų128.265%0.64976%0.76SS**  trans-73.7159.5176.500000111.9
1017R36.8Very low39.6Very low254 Ų254126.3 Ų126.396%0.95875%0.75SS**  trans-99.396.9152.3-84.9-164.3168.8-151.8-3.2109.3
1018Q34Very low39.9Very low198 Ų198126.2 Ų126.293%0.92575%0.749SS**  trans-82.7145.3154.1-176.1178.6600107.7
1019G33.5Very low39.5Very low61 Ų61131.2 Ų131.263%0.62976%0.757SS**  trans104.8140174.500000113.9
1020L34.2Very low38.9Very low177 Ų177128.1 Ų128.193%0.92775%0.746SS**  cis-135.2155.84.6-81.7171.7000113.7
1021K34.2Very low38.8Very low199 Ų199132.9 Ų132.987%0.86577%0.769SS**  trans-59.2155.9163.3-175.4-179.6178.7-1750109.6
1022G34.3Very low38Very low69 Ų69128 Ų12871%0.71177%0.772SS**  trans-58.4172.8174.300000113.6
1023S40.4Very low37.8Very low112 Ų112125.8 Ų125.878%0.78377%0.772SS**  cis-157.8-18023.7550000111.2
1024P35.9Very low37.3Very low127 Ų127127.7 Ų127.783%0.82578%0.783SS**  -126.5151.9102.51.319.6000114.1
1025G32.5Very low36.9Very low49 Ų49130.1 Ų130.151%0.50578%0.784SS.*  trans-100.4-165.9140.200000109
1026I34.7Very low36.4Very low151 Ų151124.9 Ų124.977%0.77478%0.777SS**  trans71.5140.1-176.8-41.7150.6000111.4G1028 R1029I1026-G1028 VanDerWaalsContact C-N 3.35Å; I1026-R1029 CarbonylContact C-O 3.46Å
1027S35.2Very low36.6Very low89 Ų89131 Ų13162%0.62279%0.788SS**SBendcis-96.745.7-6.8-31.60000110.1R1029S1027-R1029 VanDerWaalsContact C-N 3.26Å; S1027-R1029 PolarHBondContact N-O 2.83Å; S1027-R1029 PolarHBondContact O-N 2.9Å
1028G53.7Low36.3Very low72 Ų72128 Ų12874%0.74279%0.785SS**SBendtrans71.9-92.4-135.500000107.4I1026 L1030I1026-G1028 VanDerWaalsContact C-N 3.35Å; G1028-L1030 PolarHBondContact O-N 2.93Å
1029R43.1Very low36.9Very low192 Ų192121.5 Ų121.573%0.72577%0.771SS**  trans0.4101.5156.4-173.5176.6-164.2-169.35.1114.5I1026 S1027I1026-R1029 CarbonylContact C-O 3.46Å; S1027-R1029 VanDerWaalsContact C-N 3.26Å; S1027-R1029 PolarHBondContact N-O 2.83Å; S1027-R1029 PolarHBondContact O-N 2.9Å
1030L36.2Very low37.7Very low135 Ų135124.4 Ų124.471%0.70778%0.779SS**  cis-151131.536.7-84154.3000110.3G1028G1028-L1030 PolarHBondContact O-N 2.93Å
1031V39Very low37.6Very low129 Ų129125.1 Ų125.178%0.78278%0.78SS**  79132.387.41670000115.9
1032A36.6Very low37.3Very low101 Ų101118.4 Ų118.484%0.83577%0.767SS**  trans67150167.600000117.7
1033G37.6Very low36.8Very low81 Ų81123.5 Ų123.584%0.83578%0.776SS**  cis-167.2158.9-3.400000111.3
1034A28Very low36.3Very low98 Ų98126.5 Ų126.581%0.8178%0.778SS**  trans-120.3157.9-173.700000112.8
1035M33.3Very low36Very low193 Ų193123.2 Ų123.295%0.95177%0.767SS**  trans72.6144.2158.8-156.6170.273.100117.8
1036G36.2Very low35.7Very low73 Ų73128.2 Ų128.275%0.75378%0.78SS**  trans165.661.8-178.400000111.2
1037E39.5Very low35.7Very low190 Ų190132.8 Ų132.889%0.88879%0.788SS**  trans-74.2124.2170.6-76.8-156.3141.300110.7
1038Q30.2Very low35.6Very low192 Ų192131.4 Ų131.490%0.89779%0.788SS**  trans-166135.4134.1-112.7174.27.200111.8
1039G47.8Very low34.5Very low61 Ų61134.9 Ų134.963%0.62979%0.785SS**  trans-83179.7141.800000109.7
1040P49.3Very low34.2Very low122 Ų122134.4 Ų134.479%0.79279%0.788SS**  cis-137.7162.619.840.5-23.9000116.1
1041M31.8Very low34.2Very low193 Ų193131 Ų13195%0.95179%0.785SS**  trans-164.2152.2149.6-101.5-179.7-68.800106.6
1042G27.4Very low33.9Very low58 Ų58132.4 Ų132.460%0.59879%0.787SS**  cis138.7104.71.800000109.5
1043I25.5Very low33.5Very low176 Ų176134.7 Ų134.790%0.90379%0.785SS**  trans54.8162.4-177.958.4173.1000114.5
1044Q29.7Very low33.3Very low175 Ų175133.9 Ų133.982%0.81878%0.776SS**  cis-147.1156.615.2-176178.11400110.1
1045G27.9Very low33.4Very low57 Ų57136 Ų13659%0.58877%0.773SS**  trans-115.3141.8162.900000111.8
1046I27.5Very low33.6Very low154 Ų154135.4 Ų135.479%0.7977%0.767SS**  -179.7151.1121.248.7168000111.8
1047R33.4Very low33.8Very low248 Ų248135.2 Ų135.294%0.93677%0.765SS**  trans67.9145.6152.6-130.8167.6-177.7175.5-1.7117.2
1048G34.9Very low33.5Very low60 Ų60135.5 Ų135.562%0.61976%0.764SS**  cis-163.4-178.1-3.500000111.6
1049E30.1Very low33.8Very low145 Ų145133.8 Ų133.868%0.67877%0.766SS**  trans-96.3164.7-170.5-54.8-168.5112.100116.1
1050K36.2Very low33.1Very low182 Ų182134.2 Ų134.279%0.79177%0.771SS**  trans62.7140.6155.2-70.1152.4-176146.80117.3
1051G36.2Very low32.9Very low63 Ų63134 Ų13465%0.64976%0.757SS**  cis173.9-177.5-5.700000112.9
1052I32.2Very low33.3Very low158 Ų158130.5 Ų130.581%0.8175%0.749SS**  trans30.9142.4145.856.5167.3000121.1
1053N29.5Very low33.5Very low150 Ų150130.6 Ų130.680%0.80275%0.751SS**  cis-138.2-175.1-0.9-83.6-43.7000107.1
1054G33.7Very low34.1Very low63 Ų63130.6 Ų130.665%0.64975%0.751SS**  cis178-158.510.800000106.3
1055I30.2Very low34.1Very low144 Ų144127.9 Ų127.974%0.73875%0.748SS**  cis-164.9-179.2-19.828.1169.8000106.5
1056H37.1Very low34.4Very low180 Ų180128.2 Ų128.283%0.83375%0.751SS**  trans69.5157.8178.4-67.596.8000116.9
1057G39.4Very low34.6Very low69 Ų69126.8 Ų126.871%0.71174%0.744SS**  cis-125.6176-4.900000113.3
1058K34Very low34.4Very low196 Ų196119.6 Ų119.685%0.85272%0.721SS**  trans-132.1139.8-178.3-59173.5-176.3171.10111.4
1059T36Very low34.4Very low155 Ų155123.4 Ų123.495%0.95173%0.726SS**  trans-148.3164.5158-9.90000107.7
1060G34.2Very low34.7Very low71 Ų71124.6 Ų124.673%0.73273%0.729SS**  trans-164.3174.2-169.900000119.5
1061K43.6Very low34.6Very low116 Ų116118.9 Ų118.950%0.50472%0.722SS.*  trans56.2118168.5-67.9-166.7177.9-171.60118.8T1399K1061-T1399 VanDerWaalsContact CE-OG1 3.31Å; K1061-T1399 WeakPolarHBondContact CE-OG1 3.46Å; K1061-T1399 VanDerWaalsContact NZ-N 3.19Å; K1061-T1399 PolarHBondContact NZ-OG1 2.92Å
1062P40Very low34.3Very low120 Ų120124.5 Ų124.578%0.77973%0.728SS**  -80.3162.7104.9-25.836.5000111.8
1063G33.3Very low34.7Very low61 Ų61122.9 Ų122.963%0.62973%0.728SS**  cis93.3125.318.200000109.7P1065G1063-P1065 VanDerWaalsContact C-CD 3.4Å; G1063-P1065 WeakPolarHBondContact O-CD 3.22Å
1064I37.7Very low35Very low176 Ų176119.4 Ų119.490%0.90373%0.728SS**  trans-99.799.4174.6-57.5173.6000108.9
1065P30.1Very low35.2Very low117 Ų117126 Ų12676%0.7673%0.733SS**  trans-116.8130.8147.835.1-26.3000109.5G1063G1063-P1065 VanDerWaalsContact C-CD 3.4Å; G1063-P1065 WeakPolarHBondContact O-CD 3.22Å
1066G33.5Very low35.6Very low64 Ų64130.7 Ų130.766%0.6674%0.742SS**  cis-164.7-168.7-2.200000112.6Q1068G1066-Q1068 PolarHBondContact O-N 3.04Å
1067I31.1Very low36Very low124 Ų124125.1 Ų125.164%0.63673%0.732SS**  trans-67.7115.2176.7-74.6161.4000109.5F152F152-I1067 HydrophobicContact CD1-CG2 3.9Å; F152-I1067 HydrophobicContact CE1-CB 4.47Å; F152-I1067 HydrophobicContact CE1-CD1 4.13Å; F152-I1067 HydrophobicContact CE1-CG1 4.15Å; F152-I1067 HydrophobicContact CE1-CG2 3.49Å; F152-I1067 VanDerWaalsContact CE1-CG2 3.49Å; F152-I1067 HydrophobicContact CZ-CG2 4.43Å
1068Q29.1Very low35.8Very low97 Ų97130 Ų13045%0.45374%0.741SS.*  trans69.5138.1148-74.1175.4-11.900121.7G1066G1066-Q1068 PolarHBondContact O-N 3.04Å
1069I35.7Very low36.2Very low140 Ų140127.1 Ų127.172%0.71874%0.743SS**  trans72.9133.1138.1-69.5167.9000116.3
1070K35.5Very low36.4Very low171 Ų171122.7 Ų122.774%0.74373%0.728SS**  cis-136.5152.43.3-126.9154.2-168.5173.10107.7
1071G34.5Very low36.4Very low62 Ų62125.3 Ų125.364%0.63974%0.735SS**  89.4130.372.900000109.5
1072F30.7Very low36.3Very low181 Ų181125.6 Ų125.679%0.79475%0.752SS**  cis-151.1-160.327.7-71.9-94.4000110.8
1073P40.1Very low36.4Very low123 Ų123122.9 Ų122.980%0.79975%0.745SS**  -125.3152.1-72.836.8-22.4000114.2
1074G34.9Very low36.7Very low78 Ų78126 Ų12680%0.80475%0.754SS**  trans-137.136.8-166.600000119.2
1075R39.2Very low37.3Very low201 Ų201123.1 Ų123.176%0.75875%0.747SS**  trans60.9166.6176.5-67.7-167.4173.7-140.7-4.9116.6Q835Q835-R1075 PolarHBondContact O-NH2 2.87Å
1076R37.7Very low37.8Very low243 Ų243121.2 Ų121.292%0.91775%0.749SS**  trans-106.5142.4-159.6-176-174.7-77.1-173.1-4.3111.7
1077G46.4Very low38Very low62 Ų62125.7 Ų125.764%0.63976%0.758SS**  trans-86.5-167.2174.400000114.5
1078L34.7Very low38.4Very low172 Ų172124.6 Ų124.690%0.90176%0.761SS**SBendtrans-57.6143.5174.9-71.7164000111.7G1080L1078-G1080 PolarHBondContact O-N 3.48Å
1079P42.8Very low39.3Very low135 Ų135123.9 Ų123.988%0.87778%0.78SS**  trans-63.6123.5173.9-20.633000111.8
1080G40.8Very low39.1Very low62 Ų62128.2 Ų128.264%0.63979%0.787SS**  trans-107143164.800000110.5L1078L1078-G1080 PolarHBondContact O-N 3.48Å
1081S32.5Very low39.2Very low127 Ų127126.1 Ų126.189%0.88879%0.791SS**  trans41.1119.3158.162.20000119.7
1082S41.3Very low39.4Very low122 Ų122127 Ų12785%0.85380%0.8SS**  trans-122.2105.5144.654.40000109.3
1083G43Very low39.6Very low62 Ų62126.7 Ų126.764%0.63981%0.806SS**  trans-70.6175.815700000110.7
1084P39.9Very low39.3Very low126 Ų126130.3 Ų130.382%0.81881%0.812SS**SBendtrans-61.6162.1-179.125.2-33.8000113.2
1085P51.1Low39.5Very low117 Ų117130.1 Ų130.176%0.7681%0.81SS**PPolyproline II helixtrans-64.1150.6-162.9-23.835000115.5
1086G40.3Very low39.2Very low77 Ų77126.1 Ų126.179%0.79481%0.813SS**PPolyproline II helixtrans-93.5130.4143.900000107.9
1087D37.9Very low39Very low158 Ų158126 Ų12685%0.84581%0.813SS**PPolyproline II helixtrans-63.3143.9-171.3-74.9-55.9000113.7G1089D1087-G1089 PolarHBondContact O-N 2.91Å
1088S39.7Very low38.7Very low100 Ų100126.7 Ų126.770%0.69982%0.819SS**PPolyproline II helixtrans-70.6122177.3550000111.2R1090S1088-R1090 PolarHBondContact O-N 2.03Å
1089G46.9Very low39Very low83 Ų83122.7 Ų122.786%0.85681%0.812SS**PPolyproline II helixtrans-60120.5159.100000110.1D1087D1087-G1089 PolarHBondContact O-N 2.91Å
1090R31.8Very low38.8Very low231 Ų231126.1 Ų126.187%0.87281%0.813SS**  trans-131158.6169-99.6-154.2162-158.2-4110.4S1088S1088-R1090 PolarHBondContact O-N 2.03Å
1091P36.9Very low38.8Very low126 Ų126125.5 Ų125.582%0.81881%0.807SS**  trans-112.2162.4-130.139.6-34.7000114.4
1092G38.8Very low38.9Very low81 Ų81126.6 Ų126.684%0.83580%0.802SS**  trans-176.691.217200000109.5
1093L35.6Very low38.5Very low174 Ų174131.9 Ų131.991%0.91180%0.804SS**  trans-97.3158.4164.8-106.3170.6000108.6
1094E33.7Very low38.4Very low200 Ų200132.5 Ų132.594%0.93581%0.81SS**  trans72.6169166.3-156.2152.3-128.200116.6
1095G38.9Very low37.9Very low74 Ų74136 Ų13676%0.76381%0.813SS**  trans100.834.8176.700000116.9
1096S32.5Very low37.1Very low117 Ų117138.2 Ų138.282%0.81882%0.818SS**  trans-76.4171.9173.359.50000113.9
1097R33.9Very low36.8Very low240 Ų240138 Ų13891%0.90682%0.816SS**  trans113.8142.6141.6-161.2177.4-170.9167.91.9117.7A1099R1097-A1099 HydrophobicContact CG-CB 4.08Å
1098G39.6Very low36.6Very low76 Ų76141.3 Ų141.378%0.78482%0.816SS**  trans140.146.7173.100000113.8
1099A40.8Very low36.2Very low89 Ų89145.1 Ų145.174%0.73683%0.825SS**  69.5104.162.300000114.8R1097R1097-A1099 HydrophobicContact CG-CB 4.08Å
1100K38.5Very low36.1Very low206 Ų206144 Ų14490%0.89681%0.814SS**  trans-148.4125.1157.4-172.1170.5-175.9178.70105.8
1101G40.4Very low36.3Very low50 Ų50139.5 Ų139.552%0.51581%0.814SS.*  cis109.3125.61700000108.3
1102D34.6Very low36.7Very low149 Ų149140.2 Ų140.280%0.79780%0.804SS**  cis-142.1-159.16.7-56-59.1000108
1103R34.7Very low36.8Very low233 Ų233139.9 Ų139.988%0.87980%0.801SS**  cis-159.9135.2-6.5-144.6159.3177.1172.1-3.1105.2
1104G40.3Very low36.5Very low76 Ų76136.9 Ų136.978%0.78479%0.786SS**  trans-171.399.7-178.200000114.4
1105F29.1Very low36.6Very low198 Ų198135.7 Ų135.787%0.86878%0.784SS**  trans-93.1140.3176.7-90.8-102.4000111.9
1106L33.4Very low36.5Very low164 Ų164135.2 Ų135.286%0.85978%0.78SS**  trans46.6112.6133.3-157.576000120.1
1107G34.8Very low37.5Very low73 Ų73135 Ų13575%0.75378%0.775SS**  trans165.479.1167.400000110.6
1108R33.7Very low37.9Very low227 Ų227129.9 Ų129.986%0.85777%0.774SS**  77.3115.560.3-159.7-174.6-159-124.76.2112.4
1109M31.5Very low37.6Very low181 Ų181128.8 Ų128.889%0.89276%0.762SS**  trans79153.1169.6-146.7155.767.500116.8
1110G45.3Very low37.4Very low60 Ų60134 Ų13462%0.61977%0.768SS**  trans-94-159.8172.500000112.1
1111P35.6Very low37.7Very low135 Ų135130.5 Ų130.588%0.87777%0.767SS**  cis-128.7-153.226.541.7-24.7000114.1
1112K44.4Very low37.8Very low141 Ų141131.8 Ų131.861%0.61378%0.78SS**  trans-75.4135.2-177174.6-175.5174.4-69.70112.7D1114K1112-D1114 WeakPolarHBondContact CE-OD1 3.08Å; K1112-D1114 IonicContact NZ-OD1 2.82Å; K1112-D1114 PolarHBondContact NZ-OD1 2.96Å; K1112-D1114 IonicContact NZ-OD2 2.69Å; K1112-D1114 PolarHBondContact NZ-OD2 3.22Å
1113G41.2Very low37.7Very low75 Ų75133.6 Ų133.677%0.77378%0.781SS**  trans-148.1125.3173.200000112.7
1114D28.9Very low38Very low110 Ų110129.4 Ų129.459%0.58878%0.776SS**  trans-88.3171.1-167.3-59-65.5000115.6K1112K1112-D1114 WeakPolarHBondContact CE-OD1 3.08Å; K1112-D1114 IonicContact NZ-OD1 2.82Å; K1112-D1114 PolarHBondContact NZ-OD1 2.96Å; K1112-D1114 IonicContact NZ-OD2 2.69Å; K1112-D1114 PolarHBondContact NZ-OD2 3.22Å
1115I36.3Very low38.2Very low175 Ų175128.5 Ų128.590%0.89777%0.766SS**  trans70144.6155.1-64152.3000115.4
1116G36.8Very low38.4Very low65 Ų65126.6 Ų126.667%0.6776%0.764SS**  cis179.7-162.210.900000112.8
1117P53.5Low38.8Very low111 Ų111125 Ų12572%0.72176%0.763SS**  trans-99.2170-16641-37.9000114.4
1118P42.2Very low39.3Very low134 Ų134125.4 Ų125.487%0.8777%0.768SS**  -137.7162.694.238.3-27.4000114.4
1119G34.5Very low39.2Very low52 Ų52117.9 Ų117.954%0.53676%0.76SS.*  cis150.9102.4-14.100000116.1
1120F36.5Very low39.1Very low199 Ų199114.1 Ų114.187%0.87375%0.752SS**  trans68.4168.9157.1-55.7-72000116.6
1121P43.7Very low39Very low133 Ų133114.1 Ų114.186%0.86475%0.752SS**  cis-119.6-178.81.942.1-28.2000115
1122G42.8Very low38.7Very low77 Ų77111.7 Ų111.779%0.79473%0.732SS**  trans149.282.5171.800000114.9
1123K31.5Very low38.6Very low187 Ų187111 Ų11181%0.81373%0.729SS**  trans-97.3171.8167.8-36.4168.8-166.6164.80107.8
1124D42.5Very low38.5Very low144 Ų144110.1 Ų110.177%0.7772%0.719SS**  cis-140.8-178.68.7-71.5-75.7000107.7
1125G44.9Very low38.9Very low57 Ų57116.6 Ų116.659%0.58874%0.735SS**  cis-162.1156.6-1.600000108.2
1126I32.1Very low38.9Very low159 Ų159114.2 Ų114.282%0.81573%0.734SS**  58.2124.467.3-56.3173.2000110.5
1127P41.5Very low38.6Very low130 Ų130114.3 Ų114.384%0.84474%0.736SS**  cis-130.7-167.228.334.2-12.9000115.4
1128G46.3Very low38.3Very low82 Ų82114.7 Ų114.785%0.84574%0.741SS**  trans132.49.8157.100000119.6
1129G31.1Very low38.3Very low68 Ų68114.6 Ų114.670%0.70174%0.74SS**  trans-89.5170.5177.900000115.2
1130S29Very low38.2Very low102 Ų102115.8 Ų115.871%0.71375%0.753SS**  trans83.4134.9174.5-430000116.6
1131G44.8Very low38.1Very low61 Ų61116.7 Ų116.763%0.62976%0.756SS**  trans-167.159.7-179.500000112
1132N27.9Very low37.8Very low84 Ų84122.3 Ų122.345%0.44976%0.76SS.*  trans-91.4145.8-147.7-66.9-13.9000117.5Y360 V361 G1134Y360-N1132 WeakPolarHBondContact CB-OD1 3.03Å; Y360-N1132 PolarHBondContact O-OD1 3.07Å; V361-N1132 HydrophobicContact CG1-CB 4.2Å; V361-N1132 PolarHBondContact N-OD1 2.89Å; V361-N1132 VanDerWaalsContact N-OD1 3.12Å; V361-N1132 WeakPolarHBondContact O-CA 3.46Å; N1132-G1134 PolarHBondContact O-N 3.41Å
1133K43.4Very low37.6Very low127 Ų127121.9 Ų121.955%0.55276%0.756SS**  trans31.254146-152.2127.9-176157.40118.6V361 H362 R1135V361-K1133 HydrophobicContact CG1-CB 3.7Å; V361-K1133 HydrophobicContact CG1-CD 3.98Å; V361-K1133 HydrophobicContact CG1-CG 4.43Å; V361-K1133 PolarHBondContact O-N 2.76Å; H362-K1133 HydrophobicContact CB-CB 4.44Å; H362-K1133 VanDerWaalsContact CE1-CE 3.43Å; H362-K1133 WeakPolarHBondContact CE1-CE 3.29Å; H362-K1133 WeakPolarHBondContact NE2-CD 3.46Å; H362-K1133 VanDerWaalsContact NE2-CE 3.33Å; H362-K1133 WeakPolarHBondContact NE2-CE 3.45Å; H362-K1133 PolarHBondContact NE2-NZ 3.01Å; K1133-R1135 PolarHBondContact O-N 2.86Å
1134G39.1Very low37.6Very low55 Ų55120.3 Ų120.357%0.56776%0.757SS**  trans-76.7111.8167.900000113C363 N1132C363-G1134 PolarHBondContact SG-O 3.11Å; N1132-G1134 PolarHBondContact O-N 3.41Å
1135R36.8Very low37.7Very low246 Ų246121.7 Ų121.793%0.92876%0.764SS**  trans-99.9102.6174.3174.1-159.8-174.8-169.13.2109.3K1133K1133-R1135 PolarHBondContact O-N 2.86Å
1136S35.8Very low37.5Very low125 Ų125122.7 Ų122.787%0.87477%0.774SS**  trans-159.1161.6167.5-105.40000112.5
1137G31.6Very low37.6Very low68 Ų68120.3 Ų120.370%0.70178%0.778SS**  trans-100.5174.6165.400000112.2
1138S46.8Very low37.4Very low118 Ų118124.1 Ų124.183%0.82578%0.782SS**  trans-51.6149.5171.554.80000113.7
1139P41.2Very low37Very low133 Ų133123 Ų12386%0.86477%0.77SS**  -144.4162.488.438.9-24.7000115.9
1140G33.5Very low37.1Very low77 Ų77128 Ų12879%0.79478%0.775SS**  trans144.6110.8166.200000114.7
1141F33.2Very low37.6Very low217 Ų217130.8 Ų130.895%0.95277%0.77SS**  trans-111153.5172.4-76.1-103.6000110.5
1142R38.9Very low37.3Very low251 Ų251129.8 Ų129.895%0.94776%0.76SS**  175.7141.9128.8-172.1170.8-167.4178.93.5112.1
1143G37Very low37.7Very low69 Ų69130.2 Ų130.271%0.71176%0.761SS**  trans118.1108155.100000115.3
1144D32.8Very low37.6Very low154 Ų154128.5 Ų128.582%0.82477%0.771SS**  trans-103.1158.5175.4-50.5-96.4000110.7
1145D44.2Very low37.5Very low172 Ų172128 Ų12892%0.9277%0.765SS**  trans176.4150.6131.5-99.6-26.8000115.1
1146G40.6Very low37.5Very low78 Ų78123.9 Ų123.980%0.80476%0.762SS**  trans91.2125.9155.500000119.6
1147A34Very low38Very low109 Ų109122.8 Ų122.890%0.90175%0.752SS**  trans-151146.2176.100000115.4
1148K38.2Very low38.1Very low211 Ų211121.4 Ų121.492%0.91774%0.738SS**  trans-171157.4173-157.8169.5-174.9177.30110.8
1149G36.8Very low37.8Very low58 Ų58121.5 Ų121.560%0.59874%0.736SS**  cis157.3107.7-1800000115.3
1150E32.9Very low37.4Very low173 Ų173123.7 Ų123.781%0.80873%0.734SS**  trans74.2165163.8-51.7-161.6153.700118
1151R40.2Very low37.5Very low160 Ų160124.5 Ų124.560%0.60473%0.726SS**  cis-158.2174.426.5-145.4-166.3-88.8163.1-1114.5E384 V385E384-R1151 WeakPolarHBondContact O-CD 3.46Å; E384-R1151 PolarHBondContact O-NH1 3.19Å; V385-R1151 WeakPolarHBondContact O-CB 3.24Å
1152G38Very low37.6Very low40 Ų40122.1 Ų122.141%0.41272%0.718SS.*  trans-73-157-173.500000117.5E384 V385E384-G1152 WeakPolarHBondContact CA-O 3.48Å; V385-G1152 PolarHBondContact N-O 3.2Å
1153L37.9Very low37.5Very low93 Ų93117 Ų11749%0.48771%0.706SS.*  cis-88.7-155.117-108.4167.5000114.8G383 E384G383-L1153 VanDerWaalsContact N-CD2 3.28Å; E384-L1153 HydrophobicContact CB-CB 4.33Å; E384-L1153 HydrophobicContact CB-CD1 3.98Å; E384-L1153 HydrophobicContact CB-CG 3.85Å; E384-L1153 HydrophobicContact CG-CB 3.96Å; E384-L1153 HydrophobicContact CG-CD1 3.87Å; E384-L1153 HydrophobicContact CG-CG 3.93Å
1154A40.9Very low37.4Very low92 Ų92120.4 Ų120.476%0.7671%0.707SS**  cis-156.3167.615.900000114.8
1155G36Very low37.7Very low43 Ų43116.5 Ų116.544%0.44369%0.687SS.*  trans147.2135.7158.700000116.8L381L381-G1155 WeakPolarHBondContact CD2-O 3.26Å; L381-G1155 WeakPolarHBondContact CG-O 3.5Å
1156D37.5Very low37.6Very low161 Ų161111.1 Ų111.186%0.86167%0.672SS**  trans-78.1159.4-166.3-61.5-55.8000117
1157P45.3Very low37.2Very low101 Ų101119.3 Ų119.366%0.65668%0.678SS**  trans-84.9158-170.7-7.526000116.2L381L381-P1157 HydrophobicContact CD1-CB 3.84Å; L381-P1157 HydrophobicContact CD1-CG 3.9Å; L381-P1157 HydrophobicContact CD2-CG 4Å
1158G34.8Very low37.3Very low40 Ų40123.1 Ų123.141%0.41268%0.678SS.*  trans-139.4153.3158.900000109.7K379K379-G1158 VanDerWaalsContact CE-O 3.24Å; K379-G1158 WeakPolarHBondContact CE-O 3.49Å; K379-G1158 PolarHBondContact NZ-O 3.05Å
1159P40Very low37.3Very low119 Ų119116.2 Ų116.277%0.77367%0.666SS**  trans-60.2167.4-137.613.9-29.9000119.8K379K379-P1159 PolarHBondContact NZ-O 3.25Å
1160E33.8Very low37.1Very low179 Ų179123.6 Ų123.684%0.83668%0.676SS**  trans-75.3-173.9-171.8-49.4176.5101.300114.2
1161P35Very low37.3Very low94 Ų94125.1 Ų125.161%0.6168%0.68SS**  cis-128.7155.1-27.415.27.6000114.7
1162Q35.3Very low37Very low168 Ų168120.2 Ų120.279%0.78568%0.679SS**  trans62.8156.9138.1-64.5168.313.500119.9
1163M35.8Very low36.6Very low143 Ų143128 Ų12870%0.70470%0.702SS**  cis-151.7133-10.9-108.216271.800107.2
1164L36.4Very low36.2Very low141 Ų141129.7 Ų129.774%0.73872%0.717SS**  73.113277.7-89.7167.3000117
1165D38.8Very low35.8Very low72 Ų72128.8 Ų128.839%0.38572%0.716SS.*  trans178.9166.5140.3-121.864.8000111.5P430 G431P430-D1165 VanDerWaalsContact CA-CB 3.48Å; P430-D1165 VanDerWaalsContact CA-CG 3.42Å; P430-D1165 HydrophobicContact CB-CB 3.59Å; G431-D1165 PolarHBondContact N-OD1 2.91Å; G431-D1165 PolarHBondContact N-OD2 3.36Å
1166G41.4Very low35.6Very low59 Ų59134.5 Ų134.561%0.60874%0.735SS**  cis162117.3-14.400000115.4
1167R33.1Very low35.8Very low249 Ų249133.1 Ų133.194%0.9473%0.734SS**  trans-154.9139.7161.6-77.5-165.4-179.9-1730.4105.8
1168Q35.5Very low35.5Very low190 Ų190131.5 Ų131.589%0.88874%0.736SS**SBendcis-157137.18.2165-177.9-8.500107.7
1169G38.5Very low35.2Very low66 Ų66134.5 Ų134.568%0.6875%0.751SS**  cis157.5129.8-11.400000111.8
1170R33.3Very low35.3Very low212 Ų212140.5 Ų140.580%0.876%0.76SS**  trans-142.393.5168.8-143.2-177.3-160.9-148.46.8112.7
1171K37.2Very low35.4Very low206 Ų206135.1 Ų135.190%0.89675%0.752SS**  trans18.1119.7150.8-73.9-169.7174.4-169.70119
1172G33.8Very low35.4Very low57 Ų57137.2 Ų137.259%0.58876%0.757SS**  trans-67.5-178.5138.600000111.2
1173F28.3Very low35.2Very low202 Ų202132.9 Ų132.989%0.88675%0.746SS**  cis-139.5166.815.5-76.4-99.2000108
1174T30.8Very low35.3Very low130 Ų130128.1 Ų128.180%0.79873%0.733SS**  -167144.97531.40000110.6
1175G31.8Very low35Very low72 Ų72125.9 Ų125.974%0.74272%0.722SS**  trans-83.7-163.6-161.400000117.7
1176I32.2Very low34.7Very low164 Ų164129.5 Ų129.584%0.84174%0.74SS**  trans-129.3108.8165.9-54.8177.1000107.6
1177P41.7Very low34.4Very low132 Ų132129.6 Ų129.686%0.85774%0.741SS**  trans-97.2104.7168.46.913.4000110.6
1178G37.7Very low34.4Very low67 Ų67125.4 Ų125.469%0.69174%0.737SS**  trans77.5163.9162.500000117.6
1179S29.5Very low34.5Very low103 Ų103125.2 Ų125.272%0.7273%0.733SS**  trans-161.1121.317354.80000109.9
1180Y41.4Very low34.3Very low244 Ų244124.7 Ų124.796%0.95773%0.728SS**  trans-167.1132.8151.1-87.8-53.2000111.1
1181G35.8Very low34.2Very low66 Ų66123.8 Ų123.868%0.6873%0.73SS**  trans80.2128.217800000115.3
1182L34.6Very low34.4Very low138 Ų138119.4 Ų119.472%0.72373%0.725SS**  cis-135-144.6-4.7-64.994.2000108.5
1183S32.4Very low34.6Very low77 Ų77120.4 Ų120.454%0.53874%0.735SS.*  cis-160.6153.812.2-96.80000113.4D678D678-S1183 WeakPolarHBondContact OD1-CA 3.43Å; D678-S1183 WeakPolarHBondContact OD2-CB 3.07Å; D678-S1183 PolarHBondContact OD2-OG 3.09Å
1184G37.1Very low35.2Very low43 Ų43115.1 Ų115.144%0.44373%0.729SS.*  trans119.6111158.600000119.9L677 D678L677-G1184 CarbonylContact C-O 2.96Å; L677-G1184 WeakPolarHBondContact CB-O 3.02Å; L677-G1184 CarbonylContact O-C 3.39Å; L677-G1184 VanDerWaalsContact O-C 3.22Å; D678-G1184 VanDerWaalsContact N-C 3.3Å; D678-G1184 PolarHBondContact OD1-N 2.93Å; D678-G1184 VanDerWaalsContact OD1-N 3.12Å
1185L29.6Very low35.8Very low94 Ų94114.9 Ų114.949%0.49273%0.729SS.*  trans-81.2159.4160.7-75.1173.3000106.4L677 D678L677-L1185 WeakPolarHBondContact O-CA 3.48Å; L677-L1185 WeakPolarHBondContact O-CB 3.43Å; L677-L1185 WeakPolarHBondContact O-CD2 3.36Å; L677-L1185 WeakPolarHBondContact O-CG 3.4Å; L677-L1185 PolarHBondContact O-N 3.45Å; D678-L1185 VanDerWaalsContact C-CB 3.45Å; D678-L1185 VanDerWaalsContact C-N 3.31Å; D678-L1185 WeakPolarHBondContact O-CA 2.97Å; D678-L1185 WeakPolarHBondContact O-CB 3.48Å; D678-L1185 WeakPolarHBondContact O-CG 3.36Å; D678-L1185 PolarHBondContact O-N 3.4Å
1186I34Very low36.1Very low149 Ų149114.6 Ų114.676%0.76473%0.727SS**  cis-138141.1-1.8-132.4152.1000104.2
1187G34.9Very low36.4Very low61 Ų61114.5 Ų114.563%0.62973%0.727SS**  126.6174.561.900000108.2
1188D33.4Very low36.7Very low160 Ų160114 Ų11486%0.85672%0.724SS**  trans64.6101.9164.4-71.36.2000122.4
1189K35.7Very low36.9Very low187 Ų187113.9 Ų113.981%0.81372%0.723SS**  96.7149.4124.4-136163.1-169.4166.40119.7
1190G36.1Very low37.5Very low55 Ų55116.8 Ų116.857%0.56773%0.73SS**  trans-77.1-172.3-178.500000114.1
1191F30.5Very low37.5Very low192 Ų192112.7 Ų112.784%0.84273%0.725SS**  cis-144.1-174.822-54.5-84.6000109.7
1192S40.3Very low37.8Very low115 Ų115112.8 Ų112.880%0.80473%0.726SS**  cis-155.9-174.417.662.10000111.9
1193G39.7Very low38Very low77 Ų77113.9 Ų113.979%0.79473%0.732SS**PPolyproline II helixtrans-74.2140.1-179.300000114.2
1194A39.6Very low38.8Very low91 Ų91115.6 Ų115.675%0.75274%0.741SS**PPolyproline II helixtrans-93.3161164.400000109.9
1195P43.3Very low39.3Very low125 Ų125116.3 Ų116.381%0.81275%0.749SS**PPolyproline II helixtrans-58.8145.9-161.4-27.135.7000114.6
1196G38.8Very low40.1Very low67 Ų67117.4 Ų117.469%0.69176%0.762SS**PPolyproline II helixtrans-56.1147.2159.700000109.7
1197L39.2Very low40.4Very low162 Ų162118.6 Ų118.685%0.84877%0.766SS**PPolyproline II helixtrans-50.1135.8167.2-69.9167.1000108.2G1199L1197-G1199 PolarHBondContact O-N 2.83Å
1198P46.7Very low40.8Very low121 Ų121118.8 Ų118.879%0.78677%0.768SS**PPolyproline II helixtrans-49.6121.4160.7-21.332.6000106.4D1200P1198-D1200 PolarHBondContact O-N 3.48Å
1199G43.3Very low41.3Very low65 Ų65117.6 Ų117.667%0.6776%0.76SS**PPolyproline II helixtrans-56.9132-176.800000108.7L1197 D1201L1197-G1199 PolarHBondContact O-N 2.83Å; G1199-D1201 PolarHBondContact O-N 2.98Å
1200D40.5Very low41.9Very low163 Ų163113.7 Ų113.787%0.87275%0.754SS**  trans-44.7115.8179.5-72.3-52.1000109P1198 G1202P1198-D1200 PolarHBondContact O-N 3.48Å; D1200-G1202 VanDerWaalsContact O-CA 3.3Å; D1200-G1202 WeakPolarHBondContact O-CA 3.02Å; D1200-G1202 PolarHBondContact O-N 3.22Å
1201D41.3Very low42.2Very low158 Ų158114.3 Ų114.385%0.84576%0.76SS**  trans-48.3106.8-168.8-94.7-46.8000109.7G1199 L1203G1199-D1201 PolarHBondContact O-N 2.98Å; D1201-L1203 PolarHBondContact O-N 2.72Å
1202G42.3Very low42.8Very low69 Ų69111.3 Ų111.371%0.71175%0.753SS**  trans-55.9105.4-154.800000111.4D1200 P1204D1200-G1202 VanDerWaalsContact O-CA 3.3Å; D1200-G1202 WeakPolarHBondContact O-CA 3.02Å; D1200-G1202 PolarHBondContact O-N 3.22Å; G1202-P1204 WeakPolarHBondContact O-CA 3.43Å
1203L39.2Very low43.2Very low160 Ų160111.9 Ų111.984%0.83875%0.754SS**THydrogen-bonded Turntrans-24.2103-165.9-81.1174.3000111.4D1201 G1205D1201-L1203 PolarHBondContact O-N 2.72Å; L1203-G1205 WeakPolarHBondContact O-CA 3.46Å; L1203-G1205 PolarHBondContact O-N 3.25Å
1204P49.2Very low43.5Very low113 Ų113111.3 Ų111.373%0.73475%0.748SS**THydrogen-bonded Turntrans-43.1105.3-159.9-36.335.6000112.4G1202 P1206G1202-P1204 WeakPolarHBondContact O-CA 3.43Å; P1204-P1206 WeakPolarHBondContact O-CA 3.29Å; P1204-P1206 VanDerWaalsContact O-N 3.09Å
1205G47Very low43.4Very low59 Ų59116.6 Ų116.661%0.60875%0.754SS**  trans-44.9115.2-156.400000111L1203 M1207L1203-G1205 WeakPolarHBondContact O-CA 3.46Å; L1203-G1205 PolarHBondContact O-N 3.25Å; G1205-M1207 WeakPolarHBondContact O-CA 2.92Å; G1205-M1207 PolarHBondContact O-N 3.46Å
1206P46.3Very low43.3Very low117 Ų117120 Ų12076%0.7676%0.756SS**  trans-51.9108.7-147.115.9-32000110.6P1204 G1208P1204-P1206 WeakPolarHBondContact O-CA 3.29Å; P1204-P1206 VanDerWaalsContact O-N 3.09Å; P1206-G1208 WeakPolarHBondContact O-CA 3.24Å; P1206-G1208 PolarHBondContact O-N 3.47Å
1207M41.9Very low43.7Very low173 Ų173119.8 Ų119.885%0.85275%0.754SS**  trans-31.5104-158.6-176.7-172.5-65.600111.2G1205 I1209G1205-M1207 WeakPolarHBondContact O-CA 2.92Å; G1205-M1207 PolarHBondContact O-N 3.46Å; M1207-I1209 PolarHBondContact O-N 3.09Å; M1207-I1209 VanDerWaalsContact O-N 3.07Å
1208G42.7Very low44Very low65 Ų65120 Ų12067%0.6776%0.755SS**  trans-45.6116.8-160.300000111.3P1206 P1210P1206-G1208 WeakPolarHBondContact O-CA 3.24Å; P1206-G1208 PolarHBondContact O-N 3.47Å; G1208-P1210 WeakPolarHBondContact O-CD 3.2Å
1209I43.3Very low44.2Very low136 Ų136120 Ų12070%0.69776%0.755SS**  trans-40.2115.2-168.5-57.6173.1000108.6M1207 G1211M1207-I1209 PolarHBondContact O-N 3.09Å; M1207-I1209 VanDerWaalsContact O-N 3.07Å; I1209-G1211 WeakPolarHBondContact O-CA 3.43Å; I1209-G1211 PolarHBondContact O-N 2.73Å
1210P48Very low44.4Very low105 Ų105119.9 Ų119.968%0.68275%0.754SS**  trans-51110-178.8-29.936000108.5G1208 N1212G1208-P1210 WeakPolarHBondContact O-CD 3.2Å; P1210-N1212 PolarHBondContact O-N 3.03Å; P1210-N1212 VanDerWaalsContact O-N 3.14Å
1211G43.6Very low44.3Very low68 Ų68119.8 Ų119.870%0.70175%0.753SS**  trans-53.2122.9-154.100000110.6I1209I1209-G1211 WeakPolarHBondContact O-CA 3.43Å; I1209-G1211 PolarHBondContact O-N 2.73Å
1212N41.6Very low44.6Very low129 Ų129118.3 Ų118.369%0.6975%0.752SS**  trans-36.6118.5-175.7-73.3-8.9000109.4P1210 G1214P1210-N1212 PolarHBondContact O-N 3.03Å; P1210-N1212 VanDerWaalsContact O-N 3.14Å; N1212-G1214 WeakPolarHBondContact O-CA 3.48Å; N1212-G1214 PolarHBondContact O-N 3.23Å
1213P49.9Very low44.6Very low127 Ų127118.2 Ų118.283%0.82575%0.751SS**  trans-48.5112.8178.5-29.535.5000108.1F1215P1213-F1215 PolarHBondContact O-N 2.89Å
1214G45.2Very low44.6Very low64 Ų64118.9 Ų118.966%0.6676%0.755SS**  trans-54.2135-159.700000109.9N1212 K1216N1212-G1214 WeakPolarHBondContact O-CA 3.48Å; N1212-G1214 PolarHBondContact O-N 3.23Å; G1214-K1216 PolarHBondContact O-N 3.31Å
1215F38.8Very low44.4Very low203 Ų203119.3 Ų119.389%0.8976%0.758SS**  trans-46.6117.7169.1-74.3-77.8000106.9P1213 G1217P1213-F1215 PolarHBondContact O-N 2.89Å; F1215-G1217 PolarHBondContact O-N 2.93Å
1216K40.7Very low44Very low197 Ų197121.8 Ų121.886%0.85777%0.765SS**  trans-49.6115.2173.2-92.6-174176176.80105.4G1214 L1218G1214-K1216 PolarHBondContact O-N 3.31Å; K1216-L1218 PolarHBondContact O-N 2.93Å
1217G47.1Very low44.1Very low61 Ų61126.4 Ų126.463%0.62977%0.768SS**PPolyproline II helixtrans-53.5137.6179.900000108.1F1215 P1219F1215-G1217 PolarHBondContact O-N 2.93Å; G1217-P1219 WeakPolarHBondContact O-CD 3.46Å; G1217-P1219 VanDerWaalsContact O-N 3.17Å
1218L45.2Very low44.3Very low167 Ų167127.4 Ų127.487%0.87477%0.767SS**PPolyproline II helixtrans-50.9125.2156.3-71168.7000105.6K1216 G1220K1216-L1218 PolarHBondContact O-N 2.93Å; L1218-G1220 PolarHBondContact O-N 3.27Å
1219P51.2Low44.1Very low121 Ų121127.5 Ų127.579%0.78677%0.768SS**PPolyproline II helixtrans-52.7117.3-179.2-27.735.6000108.8G1217 D1221G1217-P1219 WeakPolarHBondContact O-CD 3.46Å; G1217-P1219 VanDerWaalsContact O-N 3.17Å; P1219-D1221 PolarHBondContact O-N 2.93Å
1220G46.6Very low44Very low63 Ų63130.8 Ų130.865%0.64978%0.778SS**PPolyproline II helixtrans-61.5136.9-177.600000109.7L1218 P1222L1218-G1220 PolarHBondContact O-N 3.27Å; G1220-P1222 WeakPolarHBondContact O-CD 3.41Å
1221D39.8Very low43.7Very low160 Ų160131.7 Ų131.786%0.85678%0.784SS**  trans-51.1113.3-175.8-59.9-69.3000110.6P1219 G1223P1219-D1221 PolarHBondContact O-N 2.93Å; D1221-G1223 PolarHBondContact O-N 2.04Å; D1221-G1223 VanDerWaalsContact O-N 3.14Å
1222P47.6Very low43.4Very low127 Ų127131.7 Ų131.783%0.82578%0.783SS**  trans-65119.1-179.6-22.635000109.5G1220G1220-P1222 WeakPolarHBondContact O-CD 3.41Å
1223G41.8Very low43.4Very low67 Ų67131.9 Ų131.969%0.69178%0.78SS**  trans-60.8158.8-173.500000113.9D1221 P1225D1221-G1223 PolarHBondContact O-N 2.04Å; D1221-G1223 VanDerWaalsContact O-N 3.14Å; G1223-P1225 WeakPolarHBondContact O-CD 3.4Å
1224L38.3Very low42.9Very low175 Ų175131.3 Ų131.392%0.91677%0.774SS**  trans-82.9111175.5-77142.7000111.5
1225P46.4Very low42.8Very low122 Ų122131.2 Ų131.279%0.79277%0.773SS**  trans-104.5160.9138.3-14.531.3000112.2G1223G1223-P1225 WeakPolarHBondContact O-CD 3.4Å
1226S37.4Very low42.7Very low110 Ų110128 Ų12877%0.76977%0.765SS**  trans-115.4158.1-165.1-46.70000115.4
1227R48.1Very low42.7Very low215 Ų215129.6 Ų129.681%0.81177%0.766SS**  trans81.2113.6155.1-73.1-173.1166.4-174-3.8120.8
1228F46.6Very low42.3Very low193 Ų193129.3 Ų129.385%0.84676%0.763SS**  trans55.9134.9142.6-53.6-60.7000120.6
1229G38.8Very low41.8Very low67 Ų67130.9 Ų130.969%0.69177%0.766SS**  cis179.2143.7-6.600000111.9
1230K41.3Very low41.4Very low206 Ų206132 Ų13290%0.89676%0.764SS**  trans-145.3163.5179-80.3-169.8177.6177.70111.4
1231P42Very low40.8Very low124 Ų124131.9 Ų131.981%0.80576%0.763SS**PPolyproline II helixtrans-63.5150.4-168.7-24.635.9000114.8E1233P1231-E1233 PolarHBondContact O-N 3Å
1232G37.7Very low40.7Very low67 Ų67133.9 Ų133.969%0.69176%0.759SS**PPolyproline II helixtrans-63.4119-169.300000115
1233E40.5Very low40.4Very low133 Ų133133.2 Ų133.262%0.62175%0.754SS**PPolyproline II helixtrans-66.5149.6156.7-63.3-163.1111.200109.9R512 P1231 G1235R512-E1233 WeakPolarHBondContact CD-OE1 3.39Å; R512-E1233 IonicContact CZ-OE1 2.9Å; R512-E1233 IonicContact NE-OE1 3.54Å; R512-E1233 IonicContact NH1-OE1 3.33Å; R512-E1233 PolarHBondContact NH1-OE1 3.36Å; R512-E1233 IonicContact NH1-OE2 2.82Å; R512-E1233 PolarHBondContact NH1-OE2 3.16Å; P1231-E1233 PolarHBondContact O-N 3Å; E1233-G1235 PolarHBondContact O-N 2.8Å
1234V40Very low40.1Very low116 Ų116133.2 Ų133.270%0.70375%0.754SS**PPolyproline II helixtrans-68.2125.4173.8177.20000107.5D1236V1234-D1236 PolarHBondContact O-N 3.29Å
1235G41.6Very low40.4Very low62 Ų62134.1 Ų134.164%0.63975%0.751SS**PPolyproline II helixtrans-61.3120.7176.400000110.5E1233 R1237E1233-G1235 PolarHBondContact O-N 2.8Å; G1235-R1237 PolarHBondContact O-N 3.46Å
1236D37.2Very low39.7Very low136 Ų136137 Ų13773%0.72775%0.754SS**  trans-56.7112.1163.8-82-58000107.3R512 V1234 G1238R512-D1236 IonicContact NH2-OD2 3.7Å; R512-D1236 PolarHBondContact NH2-OD2 3.05Å; V1234-D1236 PolarHBondContact O-N 3.29Å; D1236-G1238 PolarHBondContact O-N 3.19Å
1237R41.4Very low39.7Very low230 Ų230134.6 Ų134.687%0.86875%0.747SS**  trans-25.695.8-165.4-173.8-176.6-169.3172.74.3113.4G1235G1235-R1237 PolarHBondContact O-N 3.46Å
1238G37.8Very low39.1Very low55 Ų55130 Ų13057%0.56775%0.745SS**  trans-55.3158.8164.700000109.8D1236 L1240D1236-G1238 PolarHBondContact O-N 3.19Å; G1238-L1240 PolarHBondContact O-N 3.3Å
1239E35.8Very low38.4Very low200 Ų200129.1 Ų129.194%0.93574%0.741SS**  trans-54.8109.7164.7-70.1-163.913800107.4G1241E1239-G1241 PolarHBondContact O-N 3.28Å
1240L42.2Very low38.4Very low143 Ų143129.5 Ų129.575%0.74975%0.745SS**  trans-6597.6171.6-17677.8000104.9G1238 R1242G1238-L1240 PolarHBondContact O-N 3.3Å; L1240-R1242 PolarHBondContact O-N 2.88Å
1241G33.5Very low38.2Very low61 Ų61125.8 Ų125.863%0.62973%0.731SS**  trans-46.7134.217300000108E1239E1239-G1241 PolarHBondContact O-N 3.28Å
1242R37.5Very low37.9Very low203 Ų203127.7 Ų127.777%0.76673%0.726SS**  trans-38.6125.6-173.9-70.5176.5171.1-174.2-3.9110.2L1240 G1244L1240-R1242 PolarHBondContact O-N 2.88Å; R1242-G1244 PolarHBondContact O-N 3.47Å
1243P41.7Very low37.9Very low112 Ų112127.6 Ų127.673%0.72773%0.725SS**  trans-45.1122.6158.4-27.736000108
1244G35.3Very low37.8Very low67 Ų67127.3 Ų127.369%0.69173%0.728SS**  trans-61.9152.9-163.700000112.6R1242 Q1246R1242-G1244 PolarHBondContact O-N 3.47Å; G1244-Q1246 PolarHBondContact O-N 3.47Å
1245F45.5Very low37.6Very low194 Ų194131.3 Ų131.385%0.85174%0.736SS**  trans-69.998.2171.6-91.4-89.4000110.9
1246Q31.7Very low37.2Very low183 Ų183131.8 Ų131.886%0.85574%0.741SS**  trans-128.9129146.6-96.9179-14.600105.9G1244G1244-Q1246 PolarHBondContact O-N 3.47Å
1247G37.2Very low37.2Very low60 Ų60135.2 Ų135.262%0.61975%0.753SS**  cis77.2152.69.800000112.2
1248P36.5Very low36.9Very low117 Ų117132.7 Ų132.776%0.7675%0.748SS**  cis-117.1-166.114.132.7-13.8000113.3
1249F32.2Very low36.8Very low175 Ų175133.6 Ų133.677%0.76876%0.758SS**  trans20.8135.4148.6-83.7-109.1000119.5Q1251F1249-Q1251 HydrophobicContact CD1-CG 3.93Å; F1249-Q1251 HydrophobicContact CE1-CG 4.14Å
1250G37.6Very low36.7Very low75 Ų75130.2 Ų130.277%0.77375%0.746SS**  cis119.9170.245.200000108
1251Q36.4Very low36.2Very low128 Ų128132.8 Ų132.860%0.59875%0.754SS**  cis-149.8149.612.7-128.8179.99900107.1F1249F1249-Q1251 HydrophobicContact CD1-CG 3.93Å; F1249-Q1251 HydrophobicContact CE1-CG 4.14Å
1252K36.1Very low36.2Very low165 Ų165133.2 Ų133.272%0.71776%0.759SS**  60.7139.9107.1180-168.1-179.7-170.50115.7
1253G37.5Very low35.8Very low65 Ų65132 Ų13267%0.6777%0.766SS**  cis-157.6-149.34.500000110.3
1254N38.3Very low35.5Very low127 Ų127132.6 Ų132.668%0.67977%0.768SS**  cis-141.4153.412.9-81.2-32.9000109
1255F37.1Very low35.6Very low200 Ų200134.8 Ų134.888%0.87777%0.77SS**  31117.694.3-75.6-96.8000113.9
1256G32.8Very low35Very low72 Ų72130.3 Ų130.374%0.74276%0.763SS**  cis132.9146.4-5.600000112.1
1257E36.3Very low34.9Very low207 Ų207126.1 Ų126.197%0.96775%0.753SS**  trans-153.1175.6169.6-137.6171.8-148.200112.5
1258K35.3Very low35.1Very low178 Ų178129.3 Ų129.377%0.77476%0.762SS**  trans-139.5137.5-161.6178-161.8172-161.60110.9D1260K1258-D1260 VanDerWaalsContact CE-OD2 3.24Å; K1258-D1260 WeakPolarHBondContact CE-OD2 3.31Å; K1258-D1260 IonicContact NZ-OD2 2.73Å
1259G37.5Very low34.9Very low74 Ų74130.2 Ų130.276%0.76376%0.759SS**  trans-154.4132.5170.100000112.3
1260D31.6Very low35.1Very low128 Ų128125.5 Ų125.568%0.68476%0.76SS**  trans-102.7149.8-177.7-73.5-71000111.9K1258K1258-D1260 VanDerWaalsContact CE-OD2 3.24Å; K1258-D1260 WeakPolarHBondContact CE-OD2 3.31Å; K1258-D1260 IonicContact NZ-OD2 2.73Å
1261Q33.5Very low35.1Very low198 Ų198130.1 Ų130.193%0.92576%0.762SS**  trans31.2107161.9-61.2-172.5-2.200119.8
1262G31.7Very low35.1Very low70 Ų70130.2 Ų130.272%0.72277%0.774SS**  trans-179.1109.4159.700000116.5
1263L30.6Very low35Very low176 Ų176125.9 Ų125.992%0.92178%0.775SS**  trans58.4154.8151.8-65162.8000120.6
1264T35.9Very low34.9Very low125 Ų125134.4 Ų134.477%0.76779%0.787SS**  trans-66.4152.6155.944.50000109.7
1265P35.6Very low34.8Very low113 Ų113139 Ų13973%0.73480%0.795SS**  cis-148.5172.937.442.5-22.3000118.9
1266S34.1Very low34.8Very low101 Ų101133.3 Ų133.371%0.70679%0.793SS**  trans25.2126.7141.1-50.80000124.1
1267C28.6Very low35.1Very low95 Ų95137.7 Ų137.764%0.64279%0.794SS**  trans70.2137.2130.4-660000122.2I1269C1267-I1269 HydrophobicContact CB-CG1 4.07Å; C1267-I1269 WeakPolarHBondContact O-CD1 3.48Å
1268P42.4Very low35.5Very low126 Ų126133.8 Ų133.882%0.81879%0.787SS**  -79.712811232.6-29.6000109.1
1269I32.9Very low35.9Very low136 Ų136128.8 Ų128.870%0.69779%0.786SS**  cis67.3120.832.7-46.3174.8000109.4C1267C1267-I1269 HydrophobicContact CB-CG1 4.07Å; C1267-I1269 WeakPolarHBondContact O-CD1 3.48Å
1270G35Very low36Very low76 Ų76133 Ų13378%0.78479%0.791SS**  cis-88138.520.700000119.8
1271Q37.1Very low36.4Very low173 Ų173133.5 Ų133.581%0.80880%0.799SS**  trans-75-177.9144.3-58.3172.35.800108
1272P38Very low36.5Very low130 Ų130126.9 Ų126.984%0.84478%0.784SS**  cis-145.4-144.517.644.1-21.1000113.7
1273G34.3Very low36.8Very low73 Ų73132 Ų13275%0.75379%0.793SS**  trans108.566.6145.700000118.3
1274R34.8Very low37.3Very low244 Ų244129.8 Ų129.892%0.92179%0.79SS**  trans-46143.3174-67.7175.1165.6-167.2-3.5116.8
1275R35.2Very low37.8Very low223 Ų223127.5 Ų127.584%0.84279%0.791SS**  trans62.1113.6132.5-177.5-172-92.7-156-7.4119.1
1276G38.3Very low37.9Very low82 Ų82127.8 Ų127.885%0.84580%0.796SS**  trans-134.9114.2147.200000111
1277Q39.2Very low38.3Very low163 Ų163131.3 Ų131.376%0.76281%0.807SS**  trans-114.2165163.3-80.5180-38.600107.3
1278P43.1Very low38.7Very low126 Ų126130.7 Ų130.782%0.81882%0.816SS**  cis-124172.3-0.527.8-6.5000114.4
1279G43.6Very low38.3Very low72 Ų72132.3 Ų132.374%0.74281%0.813SS**  trans-80-165.3-173.500000117.6
1280N40.7Very low38.4Very low163 Ų163134.8 Ų134.887%0.87282%0.819SS**  trans-140140.4159.6-104.5-31.8000111.3
1281T39.9Very low38.5Very low138 Ų138134 Ų13485%0.84781%0.811SS**  trans-41.3154.6169.5-38.60000115.1
1282G36.4Very low38.7Very low60 Ų60133.6 Ų133.662%0.61981%0.814SS**  cis146.7132.4-9.300000114.3
1283L37.7Very low39Very low176 Ų176137.8 Ų137.892%0.92181%0.813SS**  trans66.5163.7173.4-57174.1000117.4
1284P41.6Very low39.2Very low131 Ų131137.8 Ų137.885%0.85181%0.813SS**  cis-111.7-162.4-14.438.6-24.4000111.9
1285G45.7Very low39.4Very low76 Ų76133.7 Ų133.778%0.78481%0.808SS**  trans-147178.2-17900000115.3
1286S37Very low40.2Very low120 Ų120128 Ų12884%0.83980%0.801SS**  trans-156.8146.3178.2560000111.3
1287D41.9Very low40.1Very low174 Ų174127.1 Ų127.193%0.9379%0.791SS**  trans-74.4159.8173.8-62.3-60000112.8
1288G37.1Very low40Very low82 Ų82128.3 Ų128.385%0.84580%0.797SS**  trans167.4131.6172.800000113.3
1289E35.6Very low39.9Very low161 Ų161133.9 Ų133.975%0.75280%0.802SS**  trans-99.1169-170.8-62-166.2146.400116
1290K35.1Very low39.7Very low188 Ų188133.7 Ų133.782%0.81780%0.8SS**  trans83.4148.9140.9-94.2-173.8-172.386.20120.2
1291G36Very low39.7Very low60 Ų60134.1 Ų134.162%0.61980%0.801SS**  trans105.187.1170.800000112.3
1292N41.4Very low39.6Very low163 Ų163137 Ų13787%0.87280%0.801SS**  59.6136.280.3-61.9-7.8000114.1
1293R44.3Very low39.7Very low219 Ų219137.6 Ų137.683%0.82681%0.808SS**  trans-154.7112.5146.5-131.8172.4-173158.67.2115.5
1294G38Very low39.7Very low72 Ų72135.6 Ų135.674%0.74280%0.803SS**  trans-80.7116.9135.200000108.4
1295L39.5Very low39.4Very low158 Ų158141.3 Ų141.383%0.82781%0.807SS**  trans27.4155.7141-66.9173.6000122.5
1296P51.1Low39.1Very low105 Ų105141 Ų14168%0.68280%0.804SS**  -137.8174.3-127.544.5-29.3000118.4
1297G37Very low39.2Very low63 Ų63143.2 Ų143.265%0.64981%0.806SS**  trans159.7147.315700000112.4
1298Q37.3Very low38.9Very low188 Ų188140.8 Ų140.888%0.87980%0.798SS**  cis-146.1-165.1-15.2-71.4-162.94.200109.9
1299R40.5Very low39.2Very low243 Ų243142.2 Ų142.292%0.91779%0.792SS**  trans-48.6155.3174.2-62.3162.6164161.7-8.7113.3
1300G39.2Very low39.4Very low68 Ų68143.3 Ų143.370%0.70180%0.797SS**  cis114.2136.3-1.100000114.8
1301L41.5Very low39.8Very low172 Ų172139.2 Ų139.290%0.90179%0.789SS**  trans179.7172.3148.6-97.3163.7000115.3
1302K38.9Very low39.8Very low197 Ų197144.2 Ų144.286%0.85780%0.801SS**  trans-72.3170.2-164.8-57.6165.3-180176.30115.5
1303G37.7Very low39.9Very low73 Ų73142.5 Ų142.575%0.75380%0.799SS**  cis163.7-168.16.800000110
1304V37.6Very low39.5Very low134 Ų134135.4 Ų135.481%0.81279%0.794SS**  cis-165.1161.3-5.1-163.70000109.6
1305R34.8Very low39.9Very low252 Ų252138.1 Ų138.195%0.95180%0.798SS**  trans73.1144.7170.7-77.6178.7165.6169.4-5.2118.6
1306G39.5Very low39.7Very low70 Ų70140.9 Ų140.972%0.72280%0.804SS**  cis168156.3-14.300000116.5
1307L38.9Very low39.2Very low165 Ų165138.9 Ų138.986%0.86480%0.803SS**  trans85.4105162.3-54.9174.4000123.5
1308T35.4Very low39.4Very low124 Ų124144.5 Ų144.576%0.76182%0.818SS**  trans29.9160131.258.40000124.9
1309P45.1Very low39.8Very low112 Ų112143 Ų14373%0.72781%0.813SS**  cis-142.7175.4-40.542.5-24.8000116.5
1310E38.6Very low39.9Very low184 Ų184135.3 Ų135.386%0.8681%0.809SS**  trans63.1162.5163.6-76-162.3170.200120.9
1311P44.8Very low39.9Very low101 Ų101136.8 Ų136.866%0.65681%0.806SS**  cis-135.9-169.9-36.738.8-20.8000114.9
1312L34.3Very low40Very low166 Ų166135 Ų13587%0.86980%0.802SS**  trans83.8156.3163.5-66.2173.4000120
1313P44.1Very low40.2Very low126 Ų126128.5 Ų128.582%0.81879%0.791SS**  trans-131.2166.2-142.443.8-29.6000118.3
1314G36.6Very low40.1Very low70 Ų70132.2 Ų132.272%0.72279%0.793SS**  trans170.8130.5164.200000112.5
1315P46.4Very low40.4Very low129 Ų129133.8 Ų133.884%0.83880%0.797SS**  trans-96.2168.3-168.537-36.9000115.9
1316K34.7Very low40.8Very low216 Ų216124.8 Ų124.894%0.93978%0.782SS**  trans89.8109.2169-166.2-175.7-179.8-175.50116
1317G40.8Very low40.6Very low64 Ų64129.9 Ų129.966%0.6679%0.792SS**  trans-170.740.6179.300000117.1M1319G1317-M1319 PolarHBondContact O-N 2.91Å
1318D40.2Very low41Very low181 Ų181131.7 Ų131.797%0.96880%0.796SS**  trans-76.371.6166.2-78.410.8000110
1319M45.5Very low41.5Very low157 Ų157128.9 Ų128.977%0.77379%0.792SS**  trans-148.999.6170.8-167.9-175.380.200109.9G1317G1317-M1319 PolarHBondContact O-N 2.91Å
1320G44Very low41.1Very low81 Ų81129.6 Ų129.684%0.83580%0.8SS**  trans-106.710717200000110.8
1321P39.5Very low41.4Very low98 Ų98130.9 Ų130.964%0.63680%0.803SS**  trans-98.4-161.7-175.438.9-35.6000113.1
1322V43Very low41.5Very low134 Ų134128.8 Ų128.881%0.81280%0.8SS**  trans86.5134.1175.9-169.80000114.3
1323G43.5Very low41.7Very low62 Ų62128.6 Ų128.664%0.63980%0.8SS**  cis-131.8144.6-4.500000110.8
1324L35.7Very low41.9Very low150 Ų150128.8 Ų128.879%0.78580%0.801SS**  73.891.663-70.9171.7000113.1
1325D42.5Very low42.3Very low168 Ų168128.7 Ų128.790%0.89880%0.8SS**  -173.5135.4110.5-88-20.2000109.7
1326G43.9Very low41.8Very low63 Ų63132.1 Ų132.165%0.64980%0.802SS**  cis-173.2-174.4-600000112.8
1327L35.8Very low42.9Very low176 Ų176128 Ų12892%0.92180%0.798SS**  trans45.692.5156.3-57.1174.1000119.5
1328Q46.6Very low43.1Very low203 Ų203128 Ų12895%0.94980%0.798SS**  -171152.9102.3-167.5157-3.500110.4
1329G45.7Very low43.5Very low66 Ų66125.6 Ų125.668%0.6879%0.791SS**  trans-76.1154.3-164.600000116.6F1331G1329-F1331 PolarHBondContact O-N 3.09Å; G1329-F1331 VanDerWaalsContact O-N 3.09Å
1330S36.3Very low43.4Very low127 Ų127124.2 Ų124.289%0.88880%0.797SS**  trans-72.694.1178.5560000113.2
1331F46Very low43.4Very low211 Ų211123.9 Ų123.993%0.92579%0.794SS**  trans-67.5148.2139.8-89.7-110.3000108.6G1329G1329-F1331 PolarHBondContact O-N 3.09Å; G1329-F1331 VanDerWaalsContact O-N 3.09Å
1332G46.7Very low43.6Very low57 Ų57126.7 Ų126.759%0.58881%0.809SS**  cis162.361.7-2.500000113.1P1334G1332-P1334 WeakPolarHBondContact O-CD 3.03Å
1333D37.4Very low43.4Very low162 Ų162130 Ų13087%0.86681%0.813SS**SBendtrans-60.6123166-76-36.4000108.9G1335D1333-G1335 PolarHBondContact O-N 3.21Å
1334P50.1Low43.2Very low130 Ų130130.1 Ų130.184%0.84481%0.813SS**  trans-58.7111.2-174.1-28.837.2000113G1332G1332-P1334 WeakPolarHBondContact O-CD 3.03Å
1335G43.5Very low43.6Very low68 Ų68132.5 Ų132.570%0.70182%0.82SS**PPolyproline II helixtrans-69.3152.4-168.600000115.1D1333D1333-G1335 PolarHBondContact O-N 3.21Å
1336F36.3Very low44.1Very low200 Ų200130.1 Ų130.188%0.87781%0.814SS**PPolyproline II helixtrans-62.9129.5174.9-64.6-90.3000111.7G1338F1336-G1338 PolarHBondContact O-N 3.07Å
1337P57.2Low43.7Very low131 Ų131130.6 Ų130.685%0.85182%0.819SS**PPolyproline II helixtrans-55.8128.3163.2-25.436000110.6
1338G46.2Very low44.5Very low64 Ų64128.3 Ų128.366%0.6682%0.815SS**PPolyproline II helixtrans-75.9159.5-157.200000116.8F1336 S1340F1336-G1338 PolarHBondContact O-N 3.07Å; G1338-S1340 PolarHBondContact O-N 3.4Å
1339P48.6Very low44.1Very low129 Ų129123.8 Ų123.884%0.83881%0.812SS**PPolyproline II helixtrans-77.5120.7176.631.2-33.4000111.9
1340S42.7Very low43.9Very low128 Ų128124 Ų12490%0.89581%0.814SS**  trans-156.5127.7165.4-80.60000109.8G1338G1338-S1340 PolarHBondContact O-N 3.4Å
1341G43.5Very low44.4Very low75 Ų75125.7 Ų125.777%0.77381%0.813SS**  cis-156.9167-5.500000111.6
1342V45Very low44.7Very low156 Ų156120.5 Ų120.595%0.94580%0.801SS**  trans-87.2113.4-176.4-170.90000110.1
1343K37.7Very low44.3Very low205 Ų205121.9 Ų121.989%0.89181%0.814SS**  trans-14895.7168.7-164.5171.9-175.6176.80113.9
1344G40.1Very low44.7Very low63 Ų63123.2 Ų123.265%0.64981%0.813SS**  trans80.7132.1152.700000117.8P1346G1344-P1346 WeakPolarHBondContact O-CD 3.11Å
1345Q45Very low44.6Very low200 Ų200126.7 Ų126.794%0.93581%0.809SS**  trans-97105.8139.8-72.9-179.1-12.100108
1346P51.4Low44.4Very low119 Ų119127.6 Ų127.677%0.77382%0.819SS**  trans-72.1160.6152.9-20.335.1000111.1G1344G1344-P1346 WeakPolarHBondContact O-CD 3.11Å
1347G36.9Very low44.7Very low72 Ų72122.8 Ų122.874%0.74281%0.806SS**  trans-81.3-173.3-167.400000116.9
1348P51.3Low43.8Very low129 Ų129126 Ų12684%0.83881%0.81SS**  trans-90.8179.1-172.338.5-37.9000113.8
1349A38.2Very low43.5Very low108 Ų108125.9 Ų125.989%0.89381%0.808SS**  trans73.9128.6175.400000115.6
1350G41.6Very low43.3Very low70 Ų70129.5 Ų129.572%0.72281%0.814SS**  cis176.9178.7-7.500000114
1351D47.6Very low43.3Very low163 Ų163129.6 Ų129.687%0.87281%0.811SS**  trans-63.9149.7155-43-70.8000108.9
1352P51.5Low43.1Very low102 Ų102129.2 Ų129.266%0.66281%0.807SS**  cis-132.3169941.3-25.9000115.7F1354P1352-F1354 HydrophobicContact CB-CD2 3.76Å; P1352-F1354 HydrophobicContact CB-CE2 4.06Å; P1352-F1354 HydrophobicContact CG-CD2 4.4Å
1353G38.4Very low42.7Very low85 Ų85129.6 Ų129.688%0.87680%0.803SS**  trans-13380.5161.700000110.5
1354F46.9Very low43Very low191 Ų191130.6 Ų130.684%0.83880%0.802SS**  trans-82.1139.6-174-94.3-77.9000113.6P1352P1352-F1354 HydrophobicContact CB-CD2 3.76Å; P1352-F1354 HydrophobicContact CB-CE2 4.06Å; P1352-F1354 HydrophobicContact CG-CD2 4.4Å
1355R47.3Very low43.4Very low203 Ų203130.3 Ų130.377%0.76680%0.799SS**  trans73.870.4150-154.6-178.6-166.1166.17118.1T1357R1355-T1357 HydrophobicContact CG-CG2 3.63Å
1356G38.4Very low43.7Very low87 Ų87129.9 Ų129.990%0.89779%0.794SS**  trans-8299.4143.200000110
1357T43.9Very low43.2Very low98 Ų98130.2 Ų130.260%0.60180%0.796SS**  trans-96.899.7177.8330000112.6R1355R1355-T1357 HydrophobicContact CG-CG2 3.63Å
1358Q37.1Very low42.9Very low200 Ų200129.3 Ų129.394%0.93579%0.787SS**  trans-167.1141.7151.4-109.5168.9-68.400107.9
1359G39.7Very low42.1Very low60 Ų60129.7 Ų129.762%0.61979%0.787SS**  cis169119.5-5.800000107.2P1361G1359-P1361 WeakPolarHBondContact O-CD 3.27Å
1360E44.3Very low42.3Very low206 Ų206130.7 Ų130.796%0.96378%0.784SS**  trans-63.2126.9-161.2-62-177.6124.800114
1361P42.4Very low42.2Very low130 Ų130130.7 Ų130.784%0.84478%0.784SS**  trans-127.4129.8165.324.8-2.9000111.8G1359G1359-P1361 WeakPolarHBondContact O-CD 3.27Å
1362G39.7Very low41.9Very low66 Ų66131.6 Ų131.668%0.6878%0.783SS**  cis174.4122-5.100000110.7
1363D37.9Very low41Very low164 Ų164134.5 Ų134.588%0.87779%0.793SS**  trans26.694.7154.9-53.7-24.7000119.5
1364R43.9Very low41Very low226 Ų226133.6 Ų133.685%0.85378%0.784SS**  -157133.8125.5-138.9166.6-173.2162.94.3112.1F1366R1364-F1366 WeakPolarHBondContact O-CD1 3.26Å; R1364-F1366 WeakPolarHBondContact O-CE1 3.38Å; R1364-F1366 VanDerWaalsContact O-CZ 3.29Å; R1364-F1366 WeakPolarHBondContact O-CZ 3.43Å
1365G47.1Very low41Very low57 Ų57129.4 Ų129.459%0.58878%0.784SS**  cis157.270.3-400000108.5
1366F52.7Low40.8Very low192 Ų192126 Ų12684%0.84279%0.789SS**  cis64.379.631.5-44.8171.1000112.5R1364R1364-F1366 WeakPolarHBondContact O-CD1 3.26Å; R1364-F1366 WeakPolarHBondContact O-CE1 3.38Å; R1364-F1366 VanDerWaalsContact O-CZ 3.29Å; R1364-F1366 WeakPolarHBondContact O-CZ 3.43Å
1367P39.4Very low40.5Very low125 Ų125125.4 Ų125.481%0.81278%0.783SS**  trans-69.6146143.7-3.823.4000107.9
1368G30.5Very low40.5Very low53 Ų53132.5 Ų132.555%0.54680%0.798SS.*  cis103.293.330.300000107.1
1369T36.1Very low40.5Very low138 Ų138128.7 Ų128.785%0.84778%0.784SS**  66.2165.280.665.40000112.5
1370P41.1Very low40.2Very low128 Ų128126.7 Ų126.783%0.83176%0.764SS**  cis-114.4176.2-6.916.48.2000112.2
1371G41.3Very low40.1Very low70 Ų70124.1 Ų124.172%0.72275%0.75SS**  cis178.6-175.5-2.300000111.6
1372Q40.4Very low39.8Very low183 Ų183126.9 Ų126.986%0.85574%0.743SS**  trans-75.3156.8149.5-68169.6-700106.4
1373D33.3Very low39.5Very low163 Ų163126.2 Ų126.287%0.87274%0.736SS**  cis-136.3165.547.7-66.4-47.2000113.3
1374G37.9Very low39.9Very low65 Ų65122.1 Ų122.167%0.6771%0.714SS**  cis-179-176.4-1.500000111.4
1375A46.5Very low39.6Very low103 Ų103117.2 Ų117.285%0.85171%0.712SS**  trans-82.1131.3167.500000109.2
1376P44.2Very low38.8Very low133 Ų133116.6 Ų116.686%0.86471%0.706SS**  -143.216286.938.4-24.6000114.3
1377G31.7Very low38.5Very low74 Ų74112.7 Ų112.776%0.76369%0.685SS**  trans14377164.700000116.4
1378R43.8Very low38.3Very low247 Ų247110.5 Ų110.593%0.93267%0.671SS**  trans-84.896.7136.1-88.6-169.4176.8-174.6-0.2107.5
1379D36.9Very low38.5Very low119 Ų119109.4 Ų109.464%0.63666%0.66SS**  -165.8147106.8-108.2-5.8000111R329R329-D1379 WeakPolarHBondContact CD-O 3.24Å; R329-D1379 PolarHBondContact NH1-O 3.14Å
1380G32.4Very low38.3Very low19 Ų19106.7 Ų106.720%0.19664%0.641CS.*  cis176.6-1222300000110.1G328 R329G328-G1380 CarbonylContact C-O 2.78Å; G328-G1380 WeakPolarHBondContact CA-O 3.23Å; R329-G1380 PolarHBondContact N-O 3.39Å
1381F42.9Very low38.1Very low151 Ų151107.9 Ų107.966%0.66264%0.64SS**  trans-135106-173.5-90.8-117.1000115.6E326 P327E326-F1381 VanDerWaalsContact O-CD1 3.23Å; E326-F1381 WeakPolarHBondContact O-CD1 3.33Å; E326-F1381 VanDerWaalsContact O-CE1 3.25Å; E326-F1381 WeakPolarHBondContact O-CE1 3.46Å; P327-F1381 VanDerWaalsContact CA-CD1 3.48Å; P327-F1381 CarbonylContact O-C 3.57Å; P327-F1381 WeakPolarHBondContact O-CA 3.3Å; P327-F1381 WeakPolarHBondContact O-CB 3.29Å; P327-F1381 WeakPolarHBondContact O-CD1 3.18Å; P327-F1381 WeakPolarHBondContact O-CG 3.2Å
1382R37Very low37.8Very low188 Ų188108.3 Ų108.371%0.70964%0.644SS**  trans-170.7149.8147.1-117.7-178.9179.6-178.50.7111.7P327 G328 R329P327-R1382 VanDerWaalsContact O-CA 3.23Å; P327-R1382 WeakPolarHBondContact O-CA 3.43Å; P327-R1382 PolarHBondContact O-N 3.09Å; G328-R1382 CarbonylContact O-C 3.44Å; R329-R1382 VanDerWaalsContact CA-O 3.27Å; R329-R1382 WeakPolarHBondContact CA-O 3.39Å
1383G32.3Very low37.8Very low52 Ų52107.9 Ų107.954%0.53665%0.647SS.*  cis-162177.612.600000112P327P327-G1383 VanDerWaalsContact CG-CA 3.45Å
1384N47.2Very low38.5Very low78 Ų78106.6 Ų106.642%0.41765%0.647SS.*  trans-124116.6176.3-87.4-85.7000111.5L323 P327L323-N1384 HydrophobicContact CD2-CB 3.52Å; P327-N1384 WeakPolarHBondContact CB-ND2 3.15Å
1385P37.5Very low38.4Very low123 Ų123107 Ų10780%0.79965%0.652SS**  -152.3150.612532.5-12.8000116.7
1386G29.7Very low38Very low45 Ų45111.4 Ų111.446%0.46466%0.657SS.*  trans-133.7-13317800000116.1K320K320-G1386 WeakPolarHBondContact CE-O 3.3Å; K320-G1386 VanDerWaalsContact CG-C 3.47Å; K320-G1386 PolarHBondContact NZ-O 2.9Å
1387R45.9Very low38.2Very low109 Ų109115.7 Ų115.741%0.41166%0.656SS.*  trans48126.7169.2-140.4160-99.7-98.53.8116T318 G319 K320 N1390T318-R1387 WeakPolarHBondContact O-CA 3.42Å; T318-R1387 PolarHBondContact O-N 2.86Å; G319-R1387 PolarHBondContact O-NH2 2.72Å; K320-R1387 HydrophobicContact CB-CB 3.48Å; K320-R1387 VanDerWaalsContact CB-CB 3.48Å; K320-R1387 HydrophobicContact CB-CG 3.99Å; K320-R1387 HydrophobicContact CD-CB 3.97Å; K320-R1387 HydrophobicContact CG-CB 3.65Å; K320-R1387 PolarHBondContact O-NE 2.89Å; K320-R1387 VanDerWaalsContact O-NE 3.08Å; K320-R1387 PolarHBondContact O-NH2 2.99Å; R1387-N1390 PolarHBondContact NH1-ND2 3.36Å; R1387-N1390 PolarHBondContact NH1-OD1 3.15Å
1388P36.7Very low39.1Very low79 Ų79114.9 Ų114.951%0.51365%0.648SS.*  -148.6157.263.737.2-16.5000121.5E317E317-P1388 CarbonylContact C-O 3.58Å; E317-P1388 VanDerWaalsContact C-O 3.25Å; E317-P1388 WeakPolarHBondContact CA-O 2.98Å; E317-P1388 PolarHBondContact N-O 2.93Å; E317-P1388 VanDerWaalsContact N-O 3.13Å; E317-P1388 WeakPolarHBondContact O-CD 3.46Å
1389G33.1Very low39Very low30 Ų30108 Ų10831%0.30963%0.633SS.*  trans98.9125.4175.900000112.5T318 G319T318-G1389 CarbonylContact C-O 3.54Å; T318-G1389 VanDerWaalsContact CA-O 3.27Å; T318-G1389 WeakPolarHBondContact CA-O 3.48Å; T318-G1389 VanDerWaalsContact CG2-O 3.24Å; T318-G1389 WeakPolarHBondContact CG2-O 3.41Å; G319-G1389 PolarHBondContact N-O 3.1Å
1390N33.1Very low39.6Very low82 Ų82106.7 Ų106.744%0.43962%0.619SS.*  cis82.9130.2-3.6-50.898.6000118.4R1387R1387-N1390 PolarHBondContact NH1-ND2 3.36Å; R1387-N1390 PolarHBondContact NH1-OD1 3.15Å
1391D36.4Very low40.5Very low153 Ų153108 Ų10882%0.81863%0.632SS**  cis-158.8157.5-14.3-84.7-36.5000109
1392G35.4Very low40.3Very low79 Ų79105.2 Ų105.281%0.81462%0.624SS**  trans-154.6144177.100000115.3
1393L40.8Very low41.7Very low174 Ų174100.3 Ų100.391%0.91162%0.616SS**  trans-112.1152.1-171-67.1167.9000112
1394P47.4Very low42.5Very low135 Ų135100.6 Ų100.688%0.87762%0.62SS**  -143.1171.481.630.7-9.8000115.4
1395G36.5Very low41.9Very low74 Ų74104.4 Ų104.476%0.76364%0.64SS**  trans-145.1-179.1-172.200000116.6
1396M36.9Very low43.1Very low196 Ų196104.4 Ų104.497%0.96664%0.64SS**  trans-131-179.3-171.6-67.4-166.978.900115.4
1397R49.4Very low43.9Very low223 Ų223105.7 Ų105.784%0.84265%0.653SS**  trans-76.6146.3-141.8-137.6177.1-165.3174.93.8118.2
1398G50.3Low43.4Very low57 Ų57109.5 Ų109.559%0.58867%0.673SS**  trans-67.3172163.700000114
1399T40.6Very low44.1Very low102 Ų102110.4 Ų110.463%0.62668%0.679SS**  trans-87.5176.3-177.9-100000112.4K1061 G1401K1061-T1399 VanDerWaalsContact CE-OG1 3.31Å; K1061-T1399 WeakPolarHBondContact CE-OG1 3.46Å; K1061-T1399 VanDerWaalsContact NZ-N 3.19Å; K1061-T1399 PolarHBondContact NZ-OG1 2.92Å; T1399-G1401 PolarHBondContact O-N 3.24Å
1400R49.9Very low44.5Very low92 Ų92112.3 Ų112.335%0.34770%0.698SS.*  trans-43.7132.1167.5-87.6-157.993.2119.423.4109.6P800 G801 F802 Q803P800-R1400 HydrophobicContact CB-CG 3.97Å; P800-R1400 HydrophobicContact CG-CG 4.42Å; G801-R1400 VanDerWaalsContact C-CA 3.43Å; G801-R1400 VanDerWaalsContact C-CG 3.44Å; G801-R1400 CarbonylContact O-C 3.43Å; G801-R1400 VanDerWaalsContact O-CA 3.24Å; G801-R1400 WeakPolarHBondContact O-CA 3.37Å; F802-R1400 VanDerWaalsContact O-CD 3.26Å; F802-R1400 WeakPolarHBondContact O-CD 3.02Å; F802-R1400 PolarHBondContact O-NE 2.97Å; Q803-R1400 HydrophobicContact CB-CB 3.67Å; Q803-R1400 WeakPolarHBondContact CB-O 3.5Å; Q803-R1400 HydrophobicContact CG-CB 3.95Å
1401G51.9Low44.8Very low45 Ų45116.6 Ų116.646%0.46472%0.719SS.*  trans-129.7128.2176.400000114G801 F802 Q803 T1399G801-G1401 PolarHBondContact O-N 2.84Å; F802-G1401 VanDerWaalsContact CA-N 3.31Å; F802-G1401 WeakPolarHBondContact CA-O 3.26Å; F802-G1401 WeakPolarHBondContact CB-O 3.03Å; Q803-G1401 CarbonylContact O-C 2.92Å; Q803-G1401 WeakPolarHBondContact O-CA 3.42Å; T1399-G1401 PolarHBondContact O-N 3.24Å
1402L37.9Very low44.9Very low94 Ų94116.4 Ų116.449%0.49271%0.711SS.*  trans-65159.2-148.5-106.8-166.7000113.7F802 Q803 G1404F802-L1402 VanDerWaalsContact CB-CA 3.44Å; F802-L1402 HydrophobicContact CB-CD2 4.34Å; Q803-L1402 VanDerWaalsContact C-CG 3.5Å; Q803-L1402 VanDerWaalsContact O-CA 3.27Å; Q803-L1402 WeakPolarHBondContact O-CA 3.25Å; Q803-L1402 WeakPolarHBondContact O-CB 3.42Å; Q803-L1402 WeakPolarHBondContact O-CG 3.01Å; Q803-L1402 PolarHBondContact O-N 3.36Å; L1402-G1404 PolarHBondContact O-N 3.16Å
1403P67.5Low45.1Very low84 Ų84116 Ų11655%0.54571%0.707SS.*  trans-7290.4152.73.821.3000105.5F802F802-P1403 VanDerWaalsContact CB-CD 3.44Å; F802-P1403 HydrophobicContact CB-CG 4Å; F802-P1403 HydrophobicContact CD2-CG 3.88Å; F802-P1403 HydrophobicContact CG-CG 3.95Å
1404G49.2Very low45Very low59 Ų59114.2 Ų114.261%0.60870%0.703SS**PPolyproline II helixtrans-75.6130.616400000108.6L1402 P1406L1402-G1404 PolarHBondContact O-N 3.16Å; G1404-P1406 WeakPolarHBondContact O-CD 3.28Å
1405N33.3Very low45Very low157 Ų157116.2 Ų116.284%0.8470%0.703SS**PPolyproline II helixtrans-62.3125.9177.7-62.2-16.7000110.2
1406P64.4Low45.5Very low123 Ų123116 Ų11680%0.79970%0.7SS**PPolyproline II helixtrans-66.3142.3170.4-20.934.3000111.9G1404G1404-P1406 WeakPolarHBondContact O-CD 3.28Å
1407G45Very low45.7Very low72 Ų72112.7 Ų112.774%0.74270%0.697SS**PPolyproline II helixtrans-78.2173.4174.500000113.9
1408F36.3Very low45.7Very low190 Ų190106.7 Ų106.783%0.83368%0.678SS**PPolyproline II helixtrans-82161-173.2-78.1-99.7000114.3
1409P51.9Low45.2Very low98 Ų98107.2 Ų107.264%0.63668%0.684SS**  trans-124168-161.541.5-27.3000116.5K1730P1409-K1730 VanDerWaalsContact CD-NZ 3.33Å
1410G41.4Very low45.5Very low69 Ų69106.3 Ų106.371%0.71168%0.679SS**  trans142153.8176.500000110
1411I39.2Very low45.4Very low172 Ų172108 Ų10888%0.88270%0.702SS**  cis-166.8174.22.136.3169.7000106.8
1412K38.1Very low44.5Very low150 Ų150109.4 Ų109.465%0.65272%0.717SS**  cis-173.9142-39173.5-178.3174-1720107.3I290I290-K1412 HydrophobicContact CD1-CD 4.09Å; I290-K1412 HydrophobicContact CD1-CG 3.97Å
1413G38.6Very low44.8Very low70 Ų70112.9 Ų112.972%0.72273%0.734SS**  trans81.9173.4165.600000115.4
1414V38.8Very low43.8Very low136 Ų136115 Ų11582%0.82475%0.748SS**  cis-141.5146.1-1.1-168.20000105.8
1415M47.8Very low43.3Very low177 Ų177115.8 Ų115.887%0.87276%0.756SS**  161.6150.887.2-167.8155.867.300107.1
1416G46.8Very low43.5Very low69 Ų69116.6 Ų116.671%0.71176%0.755SS**  cis123.590.1-0.900000112.1
1417S40.9Very low42.3Very low128 Ų128119.1 Ų119.190%0.89576%0.758SS**  trans-142.9150.8159.160.60000109.6
1418Q49.4Very low42.1Very low97 Ų97119.1 Ų119.145%0.45376%0.758SS.*  trans-137.1156.9-174.2-169.3168.38.300108A282 G283 F284 D285A282-Q1418 CarbonylContact O-C 3.6Å; G283-Q1418 PolarHBondContact O-NE2 3.18Å; G283-Q1418 PolarHBondContact O-OE1 2.76Å; F284-Q1418 VanDerWaalsContact CA-OE1 3.26Å; D285-Q1418 VanDerWaalsContact N-NE2 3.19Å
1419G40.3Very low42.5Very low68 Ų68114.7 Ų114.770%0.70176%0.757SS**  trans-170.7114.9-179.300000113.4A282A282-G1419 WeakPolarHBondContact O-CA 3.16Å; A282-G1419 PolarHBondContact O-N 2.99Å
1420P47.2Very low42.1Very low82 Ų82120.1 Ų120.153%0.53277%0.771SS.*  trans-106.5-155.417243.1-34.4000109.5A282A282-P1420 HydrophobicContact CB-CG 3.62Å; A282-P1420 WeakPolarHBondContact O-CD 3.15Å
1421P46.6Very low42.1Very low128 Ų128118.3 Ų118.383%0.83175%0.751SS**  cis-117.4176.3-4118.92.5000111.4
1422G34.8Very low42.3Very low75 Ų75116.3 Ų116.377%0.77374%0.742SS**  trans145.8140157.600000117.8
1423I42.7Very low42.9Very low167 Ų167114.3 Ų114.386%0.85674%0.744SS**  trans-153.7170.7174.311.7171.5000107.3
1424P48.1Very low43.1Very low127 Ų127112.4 Ų112.483%0.82573%0.725SS**  cis-131.3-173.3-19.336-17000113.3
1425G37.7Very low43.4Very low77 Ų77116.6 Ų116.679%0.79473%0.726SS**  trans-162.3145.9170.800000113.8
1426Q37.2Very low43.1Very low174 Ų174112.5 Ų112.581%0.81372%0.715SS**  trans-108.8156.2-159.4-58.4-178.8-10.100116.7
1427M39.4Very low43.1Very low175 Ų175114 Ų11486%0.86271%0.706SS**  53.3147.5127.6-169.4169.962.300121.4
1428G40.2Very low43.1Very low72 Ų72117.3 Ų117.374%0.74270%0.699SS**  cis-172.1-154.35.700000109.6
1429A46.6Very low42.8Very low97 Ų97117.5 Ų117.580%0.80271%0.709SS**  cis-172.7179.6-15.600000110.8
1430K43.3Very low42.6Very low213 Ų213123 Ų12393%0.92672%0.717SS**  trans79.7156.9173.6-74.8-173.5174-1790119.2
1431G40.9Very low41.9Very low30 Ų30128.7 Ų128.731%0.30973%0.733SS.*  cis-142.81758.100000117.3G759G759-G1431 CarbonylContact C-O 3.53Å; G759-G1431 VanDerWaalsContact O-O 3.07Å
1432L43.7Very low41.7Very low131 Ų131126 Ų12669%0.68673%0.729SS**  trans-154.1178.1-166.1-60175.1000110.2
1433P50Low42.2Very low107 Ų107130.8 Ų130.870%0.69574%0.735SS**  cis-132.9-163.6045.3-27.6000113.8P758P758-P1433 CarbonylContact O-C 3.3Å; P758-P1433 VanDerWaalsContact O-C 3.23Å; P758-P1433 VanDerWaalsContact O-CA 3.29Å; P758-P1433 WeakPolarHBondContact O-CA 3.47Å
1434G42.2Very low42Very low31 Ų31134.6 Ų134.632%0.3274%0.738SS.*  cis124.987.5-1800000119.5I757 P758I757-G1434 CarbonylContact O-C 3.55Å; I757-G1434 WeakPolarHBondContact O-CA 3.09Å; P758-G1434 WeakPolarHBondContact O-CA 3.33Å; P758-G1434 PolarHBondContact O-N 3.41Å
1435R46.2Very low41.8Very low223 Ų223131.5 Ų131.584%0.84273%0.729SS**  trans-165.1170.1-176.4-93.5-161150.2160.2-2.3116.8
1436S40.7Very low41.9Very low91 Ų91135.7 Ų135.764%0.63673%0.733SS**  cis168.2-175.2-30.565.30000108.4
1437D46.5Very low42.6Very low100 Ų100133.2 Ų133.254%0.53573%0.732SS.*  cis-164.9173.7-1.1-156.6-13.8000109.6
1438R40.7Very low42.8Very low198 Ų198128.2 Ų128.275%0.74773%0.725SS**  trans65.5173.9152-81.8163.4-130.5-104.6-18.5120.8
1439P44.2Very low42.9Very low102 Ų102130.1 Ų130.166%0.66273%0.727SS**  cis-139.4150.2-34.234.4-16.3000118
1440Q35.4Very low43.2Very low184 Ų184131.5 Ų131.586%0.8673%0.728SS**  trans53.3166.1138.3-55.6-178.4-1300120.3
1441K32.7Very low43.5Very low201 Ų201124.6 Ų124.687%0.87472%0.717SS**  cis-16015613.1-160.1177.7-179.2179.70110
1442G42Very low43.5Very low72 Ų72128.2 Ų128.274%0.74274%0.744SS**  trans145.2135.3159.500000116.8
1443I45.3Very low43.7Very low175 Ų175128.8 Ų128.890%0.89775%0.754SS**  trans-144.9131176.4-52.9170.2000108.4
1444R40.1Very low43.8Very low247 Ų247126.5 Ų126.593%0.93275%0.749SS**  trans-165.7123157.5-168.6170.1-175.2166.71.6114.1
1445G42.1Very low44.1Very low61 Ų61133.9 Ų133.963%0.62978%0.776SS**  trans61.4117.9139.800000120P1447G1445-P1447 WeakPolarHBondContact O-CD 3.24Å
1446D40Very low44.6Very low165 Ų165129.7 Ų129.788%0.88278%0.777SS**PPolyproline II helixtrans-69.1124175.3-49.5-82.4000113
1447P52.5Low45Very low123 Ų123128.3 Ų128.380%0.79978%0.778SS**PPolyproline II helixtrans-74.6135.6161.6-12.430.2000109.7G1445G1445-P1447 WeakPolarHBondContact O-CD 3.24Å
1448G44.6Very low45.1Very low69 Ų69131.6 Ų131.671%0.71179%0.794SS**PPolyproline II helixtrans-59.9155-172.100000115.1P1450G1448-P1450 WeakPolarHBondContact O-CD 3.4Å
1449S40.4Very low45.8Very low113 Ų113128.4 Ų128.479%0.7980%0.799SS**PPolyproline II helixtrans-51.2118.2179.852.40000112.6G1451S1449-G1451 PolarHBondContact O-N 2.96Å
1450P54.7Low46Very low125 Ų125126.2 Ų126.281%0.81280%0.795SS**PPolyproline II helixtrans-55.4136.3165.8-23.835.1000109.7G1448G1448-P1450 WeakPolarHBondContact O-CD 3.4Å
1451G48.1Very low46.5Very low68 Ų68126.3 Ų126.370%0.70180%0.801SS**PPolyproline II helixtrans-59.9157.8-169.100000114S1449 T1453S1449-G1451 PolarHBondContact O-N 2.96Å; G1451-T1453 PolarHBondContact O-N 2.94Å; G1451-T1453 VanDerWaalsContact O-N 3.13Å
1452A41.7Very low47.1Very low106 Ų106122.6 Ų122.688%0.87680%0.8SS**PPolyproline II helixtrans-53.5119.3-179.900000111.4G1454A1452-G1454 PolarHBondContact O-N 3.19Å
1453T48.3Very low47.5Very low144 Ų144122.3 Ų122.388%0.88380%0.797SS**  trans-60.8108.7167.8-52.30000107.7G1451G1451-T1453 PolarHBondContact O-N 2.94Å; G1451-T1453 VanDerWaalsContact O-N 3.13Å
1454G51.9Low47.3Very low59 Ų59123.7 Ų123.761%0.60880%0.8SS**  trans-59.5158.6-176.300000112.8A1452A1452-G1454 PolarHBondContact O-N 3.19Å
1455E48.2Very low47.4Very low186 Ų186123.8 Ų123.887%0.86980%0.8SS**  trans-51.4137.6173.9-60.1-176137.500110.6G1457E1455-G1457 PolarHBondContact O-N 2.84Å
1456P56.3Low47.7Very low134 Ų134124 Ų12487%0.8780%0.803SS**  trans-58.9100.7170.2-2434.9000109.8
1457G50.4Low47.8Very low63 Ų63126.8 Ų126.865%0.64981%0.807SS**  trans-56.2140.3-172.100000112.4E1455 P1459E1455-G1457 PolarHBondContact O-N 2.84Å; G1457-P1459 WeakPolarHBondContact O-CD 3.18Å; G1457-P1459 VanDerWaalsContact O-N 3.15Å
1458L46.8Very low47.6Very low168 Ų168130.3 Ų130.388%0.8881%0.812SS**  trans-44.9118.9178.6-70168.2000110.8G1460L1458-G1460 PolarHBondContact O-N 3.04Å
1459P55.8Low47.5Very low131 Ų131129.9 Ų129.985%0.85181%0.808SS**  trans-54.6114.2176-28.636.7000110.6G1457G1457-P1459 WeakPolarHBondContact O-CD 3.18Å; G1457-P1459 VanDerWaalsContact O-N 3.15Å
1460G49.4Very low47.7Very low56 Ų56132.8 Ų132.858%0.57782%0.815SS**  trans-65143.2-158.500000114.9L1458 S1462L1458-G1460 PolarHBondContact O-N 3.04Å; G1460-S1462 WeakPolarHBondContact O-CB 3.4Å; G1460-S1462 PolarHBondContact O-N 2.94Å; G1460-S1462 PolarHBondContact O-OG 2.7Å
1461L46.4Very low47.6Very low187 Ų187132.9 Ų132.998%0.97982%0.815SS**  trans-56.295.5172.8-73.7167.6000111.1G1463L1461-G1463 PolarHBondContact O-N 3.12Å
1462S44.6Very low47.2Very low122 Ų122133.4 Ų133.485%0.85382%0.821SS**  trans-100.279.2-163.515.30000112.7G1460G1460-S1462 WeakPolarHBondContact O-CB 3.4Å; G1460-S1462 PolarHBondContact O-N 2.94Å; G1460-S1462 PolarHBondContact O-OG 2.7Å
1463G49.2Very low47.2Very low67 Ų67136.2 Ų136.269%0.69182%0.816SS**  trans77.9107.1153.100000117.8L1461 R1465L1461-G1463 PolarHBondContact O-N 3.12Å; G1463-R1465 PolarHBondContact O-N 2.79Å
1464Q41.4Very low46.8Very low204 Ų204137.3 Ų137.395%0.95381%0.808SS**  trans-63.1115158-67.2-176.78.200109.5
1465R42.5Very low46.2Very low249 Ų249138 Ų13894%0.9482%0.815SS**  trans-100.497.3175.3-161.7172.3-169.1179.73.1111.9G1463G1463-R1465 PolarHBondContact O-N 2.79Å
1466G48.4Very low46Very low66 Ų66136 Ų13668%0.6881%0.809SS**  trans37.3112.5155.200000119.5Q1468G1466-Q1468 PolarHBondContact O-N 3.39Å
1467K41.5Very low45Very low222 Ų222139.5 Ų139.597%0.96581%0.811SS**  trans-62.9113.4155-64.4-179.7-179179.90108.7
1468Q48.7Very low44.3Very low197 Ų197140 Ų14092%0.92182%0.816SS**  trans-100.7121.9167.1-168.6164.1-900107.6G1466G1466-Q1468 PolarHBondContact O-N 3.39Å
1469G42.8Very low44.4Very low60 Ų60139.7 Ų139.762%0.61981%0.814SS**  trans-88178.3-163.800000115.7P1471G1469-P1471 VanDerWaalsContact O-CD 3.25Å; G1469-P1471 WeakPolarHBondContact O-CD 3.19Å
1470D45.3Very low43.9Very low174 Ų174139.2 Ų139.293%0.9381%0.811SS**  trans-91121.1-174.2-47.9-80.7000114
1471P52.5Low43.6Very low127 Ų127143.4 Ų143.483%0.82582%0.82SS**  trans-135140.1151.737.3-25.5000112.1G1469G1469-P1471 VanDerWaalsContact O-CD 3.25Å; G1469-P1471 WeakPolarHBondContact O-CD 3.19Å
1472G39.4Very low44.1Very low79 Ų79140 Ų14081%0.81481%0.809SS**  cis-168.2170-4.800000109.6
1473E42.2Very low44.1Very low165 Ų165141.7 Ų141.777%0.77181%0.807SS**  trans-83.2168.6-168.1-59-167.3135.200117.3
1474K38.5Very low44Very low167 Ų167144.3 Ų144.373%0.72681%0.812SS**  trans86.4154158.7-67-179-178.675.10115.8
1475G39.5Very low43.9Very low73 Ų73138.4 Ų138.475%0.75381%0.805SS**  cis-118.5-159.618.100000119.2
1476I44.6Very low44Very low144 Ų144131.4 Ų131.474%0.73880%0.801SS**  trans-149.1162.8-156.2-25.8174.7000111.3
1477K34.1Very low44Very low209 Ų209140.2 Ų140.291%0.90981%0.814SS**  trans95.5144.1173.9-56.3171.6-179179.30114.5
1478G36.4Very low44.1Very low73 Ų73133.1 Ų133.175%0.75380%0.804SS**  cis-172.2176.3-2.300000113.8
1479L48.9Very low44.2Very low161 Ų161135.6 Ų135.684%0.84381%0.805SS**  trans-79150.4175-98.573.1000112
1480P45.5Very low44.6Very low121 Ų121139.3 Ų139.379%0.78682%0.816SS**  -149.4172.595.738.4-20.6000116.8
1481N42.2Very low45.1Very low144 Ų144134.5 Ų134.577%0.7781%0.807SS**  trans-87.3155.3170.9-62.1-35.4000111.3
1482P57.2Low44.9Very low115 Ų115136.2 Ų136.275%0.74781%0.809SS**  -154.3149.58937.4-17.1000119.4
1483I44.5Very low45.7Very low159 Ų159144.1 Ų144.182%0.81581%0.814SS**  trans20144.4132.9-24.8171.8000120
1484P47.3Very low46.7Very low122 Ų122138.9 Ų138.979%0.79281%0.805SS**  cis-135175-40.541.7-26.4000115.3
1485G40.2Very low47.5Very low79 Ų79137 Ų13781%0.81481%0.81SS**  trans113.9104.6131.200000120.4
1486A45.3Very low48.3Very low103 Ų103144.9 Ų144.985%0.85182%0.817SS**  trans-150.2151.4150.200000110.6
1487R46.8Very low48.9Very low250 Ų250141.1 Ų141.194%0.94381%0.813SS**PPolyproline II helixtrans-62.7130.5-171.6-165.4176.5-170.7165.90.8112.2
1488G44.6Very low49.7Very low74 Ų74138.4 Ų138.476%0.76381%0.809SS**PPolyproline II helixtrans-66.2150.9-175.100000114.9
1489R50.4Low51Low249 Ų249140.8 Ų140.894%0.9481%0.81SS**PPolyproline II helixtrans-93.6156.8163.8-92.5-178.1160.7-177.7-6.1110.6G1491R1489-G1491 PolarHBondContact O-N 3.1Å
1490T50.7Low51Low138 Ų138136.4 Ų136.485%0.84781%0.805SS**PPolyproline II helixtrans-52132.9-177.4-43.90000111.9D1492T1490-D1492 PolarHBondContact O-N 2.74Å
1491G56.5Low51.3Low72 Ų72140.8 Ų140.874%0.74281%0.812SS**PPolyproline II helixtrans-64.5130.4177.700000111.8R1489R1489-G1491 PolarHBondContact O-N 3.1Å
1492D47.5Very low51.8Low163 Ų163144.5 Ų144.587%0.87282%0.815SS**PPolyproline II helixtrans-58.5139.3175.2-74.7-57.9000111.1T1490 G1494T1490-D1492 PolarHBondContact O-N 2.74Å; D1492-G1494 PolarHBondContact O-N 3Å
1493R56.9Low51.4Low245 Ų245142.4 Ų142.493%0.92581%0.814SS**  trans-62.1111.1179.8-176.1-178.4-172.6170.65109.1
1494G62.5Low51.9Low55 Ų55142.5 Ų142.557%0.56781%0.813SS**  trans-48.1143-176.400000113D1492 R1496D1492-G1494 PolarHBondContact O-N 3Å; G1494-R1496 PolarHBondContact O-N 2.99Å
1495P55.2Low51.9Low128 Ų128146.4 Ų146.483%0.83182%0.817SS**  trans-56.3136.2-172.423.1-33.7000110.8G1497P1495-G1497 PolarHBondContact O-N 2.62Å
1496R57.5Low52.2Low239 Ų239145.8 Ų145.890%0.90281%0.811SS**  trans-60.9110.9174.9178.2-177-177.2169.32.5108G1494G1494-R1496 PolarHBondContact O-N 2.99Å
1497G56.4Low52.6Low64 Ų64149.5 Ų149.566%0.6681%0.808SS**PPolyproline II helixtrans-48.3139.2-174.400000113.3P1495P1495-G1497 PolarHBondContact O-N 2.62Å
1498D52.2Low52.7Low153 Ų153145.5 Ų145.582%0.81880%0.804SS**PPolyproline II helixtrans-56.8132.7-168.9-64.7-63.9000112.4G1500D1498-G1500 PolarHBondContact O-N 3.45Å; D1498-G1500 VanDerWaalsContact O-N 3.08Å
1499P62.9Low52.7Low122 Ų122145 Ų14579%0.79280%0.798SS**PPolyproline II helixtrans-58.1116.3170-22.834000109.9
1500G49.7Very low52.6Low70 Ų70142.4 Ų142.472%0.72280%0.797SS**PPolyproline II helixtrans-51.1140-171.300000113.8D1498 R1502D1498-G1500 PolarHBondContact O-N 3.45Å; D1498-G1500 VanDerWaalsContact O-N 3.08Å; G1500-R1502 PolarHBondContact O-N 2.99Å
1501F51.2Low52.3Low212 Ų212145.7 Ų145.793%0.9380%0.799SS**  trans-45.1121.2-171.2-70.2-83.2000113.3G1503F1501-G1503 PolarHBondContact O-N 3.41Å
1502R53.2Low51.7Low223 Ų223145.5 Ų145.584%0.84280%0.798SS**  trans-60.8111.2171.2-167-179.2-166.5-176.34.4107.8G1500 M1504G1500-R1502 PolarHBondContact O-N 2.99Å; R1502-M1504 PolarHBondContact O-N 3.37Å
1503G47.2Very low51.6Low70 Ų70145.9 Ų145.972%0.72280%0.798SS**PPolyproline II helixtrans-49.5134.8-171.200000113.1F1501 K1505F1501-G1503 PolarHBondContact O-N 3.41Å; G1503-K1505 PolarHBondContact O-N 3.1Å
1504M55.8Low51.1Low162 Ų162145.5 Ų145.580%0.79880%0.796SS**PPolyproline II helixtrans-54.7132.3-174.1-70.7177.168.700111.4R1502 G1506 F1507R1502-M1504 PolarHBondContact O-N 3.37Å; M1504-G1506 PolarHBondContact O-N 2.83Å; M1504-G1506 VanDerWaalsContact O-N 3.15Å; M1504-F1507 HydrophobicContact CE-CE2 4.49Å; M1504-F1507 HydrophobicContact CE-CZ 4.08Å
1505K47.3Very low50.3Low204 Ų204145 Ų14589%0.88779%0.791SS**PPolyproline II helixtrans-60.2117.1170-173.8-179.3-178.9-175.80107.7G1503 F1507G1503-K1505 PolarHBondContact O-N 3.1Å; K1505-F1507 PolarHBondContact O-N 3.24Å
1506G46.5Very low50Low65 Ų65142.9 Ų142.967%0.6778%0.777SS**PPolyproline II helixtrans-53.2136.8-176.700000111.7M1504M1504-G1506 PolarHBondContact O-N 2.83Å; M1504-G1506 VanDerWaalsContact O-N 3.15Å
1507F53.1Low49.6Very low181 Ų181137.6 Ų137.679%0.79477%0.774SS**PPolyproline II helixtrans-55.1139.9-179.2-64.5-82.4000111.1M1504 K1505 G1509M1504-F1507 HydrophobicContact CE-CE2 4.49Å; M1504-F1507 HydrophobicContact CE-CZ 4.08Å; K1505-F1507 PolarHBondContact O-N 3.24Å; F1507-G1509 PolarHBondContact O-N 2.91Å
1508I50Low48.8Very low167 Ų167137.8 Ų137.886%0.85678%0.776SS**PPolyproline II helixtrans-63.2120.7164.5-63.9174.3000106E1510I1508-E1510 PolarHBondContact O-N 3.2Å
1509G43.7Very low48.1Very low63 Ų63142.1 Ų142.165%0.64978%0.781SS**PPolyproline II helixtrans-57.4138.317900000110.8F1507 K1511F1507-G1509 PolarHBondContact O-N 2.91Å; G1509-K1511 PolarHBondContact O-N 3.44Å
1510E48.4Very low46.9Very low194 Ų194144.6 Ų144.691%0.90779%0.788SS**PPolyproline II helixtrans-53.3134.9-175-63.9-177.5138.300111.6I1508 G1512I1508-E1510 PolarHBondContact O-N 3.2Å; E1510-G1512 PolarHBondContact O-N 2.74Å
1511K44.7Very low46.1Very low207 Ų207144.2 Ų144.290%0.978%0.784SS**  trans-65.7108.9176-172.3178.8-178.1-178.50107.9G1509 I1513G1509-K1511 PolarHBondContact O-N 3.44Å; K1511-I1513 PolarHBondContact O-N 3.06Å
1512G42.9Very low45.4Very low69 Ų69140.6 Ų140.671%0.71178%0.779SS**PPolyproline II helixtrans-50.1137.1-172.100000113.3E1510 R1514E1510-G1512 PolarHBondContact O-N 2.74Å; G1512-R1514 PolarHBondContact O-N 3.45Å
1513I47.3Very low44.9Very low171 Ų171138.1 Ų138.188%0.87778%0.781SS**PPolyproline II helixtrans-56.2131.6-177.8-42.7175.8000109.4K1511 G1515K1511-I1513 PolarHBondContact O-N 3.06Å; I1513-G1515 PolarHBondContact O-N 2.79Å
1514R45.9Very low44.3Very low236 Ų236137.9 Ų137.989%0.89178%0.778SS**PPolyproline II helixtrans-62.6127.1169.7-174.1-180-176.8176.21.3108.3G1512G1512-R1514 PolarHBondContact O-N 3.45Å
1515G44.6Very low43.7Very low44 Ų44136.3 Ų136.345%0.45477%0.772SS.*PPolyproline II helixtrans-57.9152.2175.800000111.9I1513I1513-G1515 PolarHBondContact O-N 2.79Å
1516P48.7Very low43.3Very low84 Ų84131.7 Ų131.755%0.54576%0.758SS.*PPolyproline II helixtrans-60.5159.417529.3-36.2000111.5E40 G1518E40-P1516 VanDerWaalsContact OE1-CG 3.23Å; E40-P1516 WeakPolarHBondContact OE1-CG 2.98Å; E40-P1516 WeakPolarHBondContact OE2-CD 3.23Å; P1516-G1518 PolarHBondContact O-N 2.91Å
1517P50.3Low43.5Very low128 Ų128135.6 Ų135.683%0.83176%0.763SS**PPolyproline II helixtrans-61.2132.5171.4-20.333000110.9
1518G39.1Very low43.8Very low68 Ų68131.3 Ų131.370%0.70176%0.756SS**PPolyproline II helixtrans-61138.5177.400000112.2P1516 N1520P1516-G1518 PolarHBondContact O-N 2.91Å; G1518-N1520 PolarHBondContact O-N 3.43Å
1519R38.7Very low45.1Very low245 Ų245124.3 Ų124.393%0.92573%0.725SS**SBendtrans-61107.4177.7-91.4-179159.1-173.1-5.5111.3G1521R1519-G1521 PolarHBondContact O-N 3.04Å
1520N36.2Very low47.3Very low174 Ų174126.5 Ų126.593%0.9372%0.716SS**SBendtrans31.351.2163.3-65.917.1000115.5G1518G1518-N1520 PolarHBondContact O-N 3.43Å
1521G34.4Very low49.4Very low62 Ų62121.5 Ų121.564%0.63970%0.696SS**  trans-76.2136.3174.600000111R1519R1519-G1521 PolarHBondContact O-N 3.04Å
1522T34.8Very low51.9Low136 Ų136112.1 Ų112.183%0.83466%0.655SS**SBendtrans-49.5137.7159.247.80000110G1524T1522-G1524 WeakPolarHBondContact O-CA 3.39Å; T1522-G1524 PolarHBondContact O-N 3.35Å
1523I42.4Very low54.5Low170 Ų170108.9 Ų108.987%0.87262%0.621SS**SBendtrans-16.4100.3-176-58.4176.8000112.8L1525I1523-L1525 PolarHBondContact O-N 3.39Å
1524G35.2Very low56.9Low65 Ų65100.8 Ų100.867%0.6758%0.58SS**  trans-71.482.9-157.200000115.9T1522 D1526T1522-G1524 WeakPolarHBondContact O-CA 3.39Å; T1522-G1524 PolarHBondContact O-N 3.35Å; G1524-D1526 PolarHBondContact O-N 2.68Å
1525L43Very low59.3Low129 Ų12990.2 Ų90.268%0.67554%0.54SS*.  trans-74.157.5156.2-79.7164.7000110.4I1523 D1527I1523-L1525 PolarHBondContact O-N 3.39Å; L1525-D1527 PolarHBondContact O-N 2.87Å
1526D40Very low61.8Low108 Ų10888.6 Ų88.658%0.57852%0.522SS*.  trans-83.998.4-172.2-172.835.3000111.2G1524 S1528G1524-D1526 PolarHBondContact O-N 2.68Å; D1526-S1528 VanDerWaalsContact O-CB 3.32Å; D1526-S1528 WeakPolarHBondContact O-CB 3.14Å; D1526-S1528 PolarHBondContact O-N 3.36Å; D1526-S1528 PolarHBondContact O-OG 2.93Å
1527D50.3Low64Low147 Ų14784.7 Ų84.779%0.78650%0.497SS*.SBendtrans46.4-0.9173.4-101-5.8000119.4L1525 G1529L1525-D1527 PolarHBondContact O-N 2.87Å; D1527-G1529 VanDerWaalsContact C-N 3.29Å; D1527-G1529 PolarHBondContact O-N 3.08Å
1528S58.7Low66.2Low91 Ų9182.1 Ų82.164%0.63648%0.476SS*.  trans-90.644.8-164.340.40000113.6D1526 F1530D1526-S1528 VanDerWaalsContact O-CB 3.32Å; D1526-S1528 WeakPolarHBondContact O-CB 3.14Å; D1526-S1528 PolarHBondContact O-N 3.36Å; D1526-S1528 PolarHBondContact O-OG 2.93Å; S1528-F1530 PolarHBondContact O-N 3.3Å
1529G77.4Confident68.9Low20 Ų2081 Ų8121%0.20646%0.457CS..PPolyproline II helixtrans-62.6131.5177.400000113.3D1527 L1531 S1637D1527-G1529 VanDerWaalsContact C-N 3.29Å; D1527-G1529 PolarHBondContact O-N 3.08Å; G1529-L1531 PolarHBondContact O-N 2.99Å; G1529-S1637 CarbonylContact C-O 3.58Å; G1529-S1637 VanDerWaalsContact C-O 3.3Å; G1529-S1637 WeakPolarHBondContact CA-O 3.47Å
1530F89.7Confident71.7Confident108 Ų10874.4 Ų74.447%0.47444%0.437SS..EExtended strand (participates in β ladder)trans-62.4125.1176.3-64.5-95.1000110.8S1528 Q1636 S1637 T1639 W1640S1528-F1530 PolarHBondContact O-N 3.3Å; F1530-Q1636 WeakPolarHBondContact O-CA 3.4Å; F1530-S1637 PolarHBondContact N-O 3.24Å; F1530-S1637 PolarHBondContact O-N 3.34Å; F1530-T1639 VanDerWaalsContact CD2-C 3.45Å; F1530-W1640 HydrophobicContact CD1-CB 3.92Å; F1530-W1640 HydrophobicContact CE1-CB 3.95Å; F1530-W1640 HydrophobicContact CG-CB 4.27Å; F1530-W1640 HydrophobicContact CZ-CB 4.34Å
1531L94.3Very high74.6Confident90 Ų9068.3 Ų68.347%0.47141%0.407SS..EExtended strand (participates in β ladder)trans-91.4131.5175.1-61.3-178000111.1G1529 I1551 P1574 V1634 C1635 Q1636G1529-L1531 PolarHBondContact O-N 2.99Å; L1531-I1551 HydrophobicContact CD2-CG1 4.06Å; L1531-P1574 HydrophobicContact CB-CG 3.61Å; L1531-P1574 HydrophobicContact CD1-CG 4.22Å; L1531-V1634 HydrophobicContact CB-CG1 4.38Å; L1531-C1635 WeakPolarHBondContact CA-O 3.5Å; L1531-Q1636 HydrophobicContact CD2-CB 3.71Å; L1531-Q1636 HydrophobicContact CD2-CG 3.98Å
1532F95.7Very high77.5Confident9 Ų966.4 Ų66.44%0.03938%0.383CS..EExtended strand (participates in β ladder)trans-138158.1174.769-80.2000110.9V1534 P1545 T1548 G1572 V1634 C1635 L1641 W1663F1532-V1534 HydrophobicContact CD2-CG2 4.01Å; F1532-V1534 HydrophobicContact CE2-CG2 3.58Å; F1532-P1545 HydrophobicContact CE2-CG 4.04Å; F1532-P1545 HydrophobicContact CZ-CG 4.06Å; F1532-T1548 HydrophobicContact CE1-CG2 3.8Å; F1532-T1548 HydrophobicContact CZ-CG2 3.8Å; F1532-G1572 CarbonylContact C-O 3.36Å; F1532-G1572 VanDerWaalsContact CA-O 3.29Å; F1532-G1572 WeakPolarHBondContact CA-O 3.24Å; F1532-V1634 WeakPolarHBondContact O-CA 3.3Å; F1532-C1635 HydrophobicContact CD1-CB 4.15Å; F1532-C1635 WeakPolarHBondContact CD1-O 3.42Å; F1532-C1635 HydrophobicContact CD2-CB 4.48Å; F1532-C1635 HydrophobicContact CE1-CB 3.5Å; F1532-C1635 VanDerWaalsContact CE1-CB 3.5Å; F1532-C1635 HydrophobicContact CE2-CB 3.89Å; F1532-C1635 HydrophobicContact CZ-CB 3.37Å; F1532-C1635 PolarHBondContact N-O 2.94Å; F1532-C1635 PolarHBondContact O-N 2.89Å; F1532-L1641 HydrophobicContact CD1-CD1 3.74Å; F1532-L1641 HydrophobicContact CD1-CD2 4.15Å; F1532-L1641 HydrophobicContact CD2-CD2 3.73Å; F1532-L1641 HydrophobicContact CE1-CD1 3.79Å; F1532-L1641 HydrophobicContact CE1-CD2 4.02Å; F1532-L1641 HydrophobicContact CE2-CD2 3.58Å; F1532-L1641 HydrophobicContact CG-CD1 4.24Å; F1532-L1641 HydrophobicContact CG-CD2 4.01Å; F1532-L1641 HydrophobicContact CZ-CD1 4.31Å; F1532-L1641 HydrophobicContact CZ-CD2 3.72Å; F1532-W1663 HydrophobicContact CD2-CH2 4.1Å; F1532-W1663 HydrophobicContact CD2-CZ3 4.18Å; F1532-W1663 HydrophobicContact CE2-CH2 4.22Å; F1532-W1663 AromaticContact CE2-CZ3 3.84Å; F1532-W1663 HydrophobicContact CE2-CZ3 3.84Å
1533T97.4Very high80.4Confident1 Ų165 Ų651%0.00638%0.379CS..EExtended strand (participates in β ladder)trans-105.4140.9176.4-59.70000111H1535 L1571 G1572 T1573 P1574 C1577 C1632 I1633T1533-H1535 WeakPolarHBondContact CG2-NE2 3.4Å; T1533-L1571 WeakPolarHBondContact CB-O 3.31Å; T1533-G1572 PolarHBondContact N-O 3Å; T1533-T1573 PolarHBondContact OG1-O 2.67Å; T1533-P1574 WeakPolarHBondContact OG1-CA 3.34Å; T1533-C1577 HydrophobicContact CG2-CB 3.87Å; T1533-C1632 HydrophobicContact CG2-CB 3.78Å; T1533-I1633 WeakPolarHBondContact CA-O 3.29Å
1534V97.5Very high83Confident2 Ų258.3 Ų58.31%0.01235%0.347CS..EExtended strand (participates in β ladder)trans-112.8131.6164-171.90000108.9F1532 P1542 P1545 C1632 I1633 W1663F1532-V1534 HydrophobicContact CD2-CG2 4.01Å; F1532-V1534 HydrophobicContact CE2-CG2 3.58Å; V1534-P1542 HydrophobicContact CB-CG 4.15Å; V1534-P1542 HydrophobicContact CG1-CB 4.21Å; V1534-P1542 HydrophobicContact CG1-CG 3.99Å; V1534-P1542 WeakPolarHBondContact O-CG 3.27Å; V1534-P1545 HydrophobicContact CG2-CG 4.42Å; V1534-C1632 CarbonylContact O-C 3.54Å; V1534-C1632 WeakPolarHBondContact O-CA 3.3Å; V1534-C1632 WeakPolarHBondContact O-CB 3.34Å; V1534-I1633 HydrophobicContact CB-CG2 4.03Å; V1534-I1633 PolarHBondContact N-O 2.78Å; V1534-I1633 PolarHBondContact O-N 2.87Å; V1534-W1663 HydrophobicContact CG2-CE3 4.43Å; V1534-W1663 HydrophobicContact CG2-CH2 3.87Å; V1534-W1663 HydrophobicContact CG2-CZ3 3.75Å
1535H97.4Very high85.7Confident13 Ų1356.2 Ų56.26%0.0632%0.322CS..EExtended strand (participates in β ladder)trans-106.9127177.6-67.7-80.2000110.4T1533 S1556 L1571 S1576 L1609T1533-H1535 WeakPolarHBondContact CG2-NE2 3.4Å; H1535-S1556 WeakPolarHBondContact ND1-CB 3.14Å; H1535-S1556 PolarHBondContact ND1-OG 2.95Å; H1535-L1571 PolarHBondContact CD2-O 2.91Å; H1535-L1571 WeakPolarHBondContact NE2-CD2 3.49Å; H1535-L1571 PolarHBondContact NE2-O 2.95Å; H1535-S1576 PolarHBondContact CE1-OG 3.1Å; H1535-S1576 VanDerWaalsContact CE1-OG 3.24Å; H1535-S1576 WeakPolarHBondContact NE2-CB 3.48Å; H1535-S1576 PolarHBondContact NE2-OG 3.48Å; H1535-L1609 HydrophobicContact CB-CD2 3.76Å
1536S96.6Very high87.9Confident11 Ų1156.2 Ų56.28%0.07732%0.321CS..  trans-73.8-36.1-176.6530000114.1D1538 Q1540 R1631S1536-D1538 PolarHBondContact O-N 2.81Å; S1536-D1538 PolarHBondContact OG-N 3.19Å; S1536-D1538 PolarHBondContact OG-O 3.05Å; S1536-D1538 VanDerWaalsContact OG-O 3.1Å; S1536-Q1540 WeakPolarHBondContact CB-O 3.25Å; S1536-Q1540 PolarHBondContact OG-O 3.01Å; S1536-R1631 PolarHBondContact N-O 3.37Å; S1536-R1631 PolarHBondContact OG-N 3.03Å; S1536-R1631 PolarHBondContact OG-O 2.98Å
1537Q96Very high90.2Very high1 Ų159.5 Ų59.51%0.00533%0.327CS..SBendtrans57.328.6-158-54.8170.6-102.300112L1609 T1611 L1612 S1630 H1692Q1537-L1609 HydrophobicContact CG-CD2 3.8Å; Q1537-T1611 CarbonylContact O-C 3.59Å; Q1537-T1611 WeakPolarHBondContact O-CA 3.42Å; Q1537-L1612 HydrophobicContact CB-CD2 4.36Å; Q1537-L1612 HydrophobicContact CB-CG 4.32Å; Q1537-L1612 PolarHBondContact O-N 3.13Å; Q1537-S1630 WeakPolarHBondContact CA-OG 3.39Å; Q1537-S1630 PolarHBondContact N-OG 2.81Å; Q1537-S1630 VanDerWaalsContact N-OG 3.08Å; Q1537-H1692 PolarHBondContact NE2-O 2.98Å; Q1537-H1692 PolarHBondContact OE1-O 3.08Å
1538D96.5Very high92.1Very high74 Ų7453.3 Ų53.340%0.39629%0.294SS..SBendtrans-129.4163.6173.9-160.3-74.5000111.1S1536 Q1540 S1630 R1631S1536-D1538 PolarHBondContact O-N 2.81Å; S1536-D1538 PolarHBondContact OG-N 3.19Å; S1536-D1538 PolarHBondContact OG-O 3.05Å; S1536-D1538 VanDerWaalsContact OG-O 3.1Å; D1538-Q1540 PolarHBondContact O-N 3.4Å; D1538-Q1540 PolarHBondContact OD1-N 3.49Å; D1538-S1630 CarbonylContact O-C 3.58Å; D1538-S1630 WeakPolarHBondContact O-CA 3.29Å; D1538-R1631 PolarHBondContact O-N 2.73Å
1539S95.7Very high93.7Very high44 Ų4452.6 Ų52.631%0.30829%0.286SS..SBendtrans-65.1-16.2168.169.70000114.3R1631S1539-R1631 WeakPolarHBondContact O-CG 3.46Å
1540Q96.4Very high94.6Very high108 Ų10855.9 Ų55.951%0.50530%0.304SS..SBendtrans-108.4143.3176.7-62.4-67.811.200112.3S1536 D1538 R1631S1536-Q1540 WeakPolarHBondContact CB-O 3.25Å; S1536-Q1540 PolarHBondContact OG-O 3.01Å; D1538-Q1540 PolarHBondContact O-N 3.4Å; D1538-Q1540 PolarHBondContact OD1-N 3.49Å; Q1540-R1631 WeakPolarHBondContact O-CB 3.27Å
1541P96.7Very high94.9Very high45 Ų4554.8 Ų54.829%0.29230%0.302SS..PPolyproline II helixtrans-61.3143.7176.9-18.631.1000112.6T1553 R1631P1541-T1553 HydrophobicContact CB-CG2 3.6Å; P1541-T1553 HydrophobicContact CG-CG2 3.92Å; P1541-R1631 HydrophobicContact CB-CB 4.32Å; P1541-R1631 HydrophobicContact CG-CB 4.25Å; P1541-R1631 HydrophobicContact CG-CG 4.47Å
1542P96Very high95Very high22 Ų2253.6 Ų53.614%0.14329%0.292CS..PPolyproline II helixtrans-76.5164.2171.733.6-29.1000110.4V1534 I1633V1534-P1542 HydrophobicContact CB-CG 4.15Å; V1534-P1542 HydrophobicContact CG1-CB 4.21Å; V1534-P1542 HydrophobicContact CG1-CG 3.99Å; V1534-P1542 WeakPolarHBondContact O-CG 3.27Å; P1542-I1633 HydrophobicContact CG-CB 4.47Å; P1542-I1633 HydrophobicContact CG-CG2 3.87Å; P1542-I1633 WeakPolarHBondContact O-CG2 3.33Å
1543S96.5Very high95.2Very high107 Ų10756 Ų5675%0.74831%0.307SS*.PPolyproline II helixtrans-83.4155.2170.8-66.20000111.2
1544C96.1Very high95.2Very high29 Ų2955.9 Ų55.920%0.19631%0.306CS..PPolyproline II helixtrans-72.9144171.5-75.10000111.4T1548 P1550 C1635C1544-T1548 WeakPolarHBondContact CB-OG1 3.23Å; C1544-P1550 VanDerWaalsContact SG-CA 3.54Å; C1544-C1635 WeakPolarHBondContact CA-SG 3.38Å; C1544-C1635 HydrophobicContact CB-CB 3.96Å; C1544-C1635 WeakPolarHBondContact CB-SG 3.34Å; C1544-C1635 WeakPolarHBondContact SG-CB 3.41Å; C1544-C1635 CovalentContact SG-SG 2.04Å; C1544-C1635 PolarHBondContact SG-SG 2.8Å
1545P92.7Very high95.2Very high22 Ų2258.4 Ų58.414%0.14332%0.316CS..PPolyproline II helixtrans-55.4157.6171.9-27.134.7000113.9F1532 V1534 T1548 A1662 W1663F1532-P1545 HydrophobicContact CE2-CG 4.04Å; F1532-P1545 HydrophobicContact CZ-CG 4.06Å; V1534-P1545 HydrophobicContact CG2-CG 4.42Å; P1545-T1548 WeakPolarHBondContact CD-OG1 3.38Å; P1545-T1548 PolarHBondContact O-N 3Å; P1545-T1548 PolarHBondContact O-OG1 3.22Å; P1545-A1662 HydrophobicContact CB-CB 4.21Å; P1545-A1662 HydrophobicContact CG-CB 4.23Å; P1545-W1663 HydrophobicContact CG-CE3 4.05Å; P1545-W1663 HydrophobicContact CG-CZ3 4.06Å
1546I89.3Confident95.2Very high129 Ų12957.8 Ų57.866%0.66231%0.313SS*.THydrogen-bonded Turntrans-58.6140.9-176.8-48.6179.6000110.4T1548 R1753I1546-T1548 PolarHBondContact O-N 2.81Å; I1546-R1753 PolarHBondContact O-NH2 3.24Å
1547Y86.7Confident95.2Very high177 Ų17757.5 Ų57.569%0.69431%0.311SS*.THydrogen-bonded Turntrans56.230.2-172.4-33.7-69.5000114.4R1753Y1547-R1753 PolarHBondContact O-NH1 3.27Å
1548T91.2Very high95Very high16 Ų1657.5 Ų57.510%0.09831%0.311CS..  trans-124145.1165.466.90000110.7F1532 C1544 P1545 I1546 Q1636F1532-T1548 HydrophobicContact CE1-CG2 3.8Å; F1532-T1548 HydrophobicContact CZ-CG2 3.8Å; C1544-T1548 WeakPolarHBondContact CB-OG1 3.23Å; P1545-T1548 WeakPolarHBondContact CD-OG1 3.38Å; P1545-T1548 PolarHBondContact O-N 3Å; P1545-T1548 PolarHBondContact O-OG1 3.22Å; I1546-T1548 PolarHBondContact O-N 2.81Å; T1548-Q1636 CarbonylContact C-O 3.39Å; T1548-Q1636 VanDerWaalsContact CA-O 3.27Å; T1548-Q1636 WeakPolarHBondContact CA-O 3.04Å; T1548-Q1636 VanDerWaalsContact CB-O 3.23Å; T1548-Q1636 WeakPolarHBondContact CB-O 3.06Å
1549T92.7Very high94.7Very high76 Ų7654.2 Ų54.247%0.46629%0.293SS..EExtended strand (participates in β ladder)trans-99.3133.8-174.542.20000111.6C1635 Q1636T1549-C1635 CarbonylContact O-C 3.57Å; T1549-C1635 VanDerWaalsContact O-CA 3.26Å; T1549-C1635 WeakPolarHBondContact O-CA 3.22Å; T1549-Q1636 PolarHBondContact N-O 3.49Å; T1549-Q1636 PolarHBondContact O-N 3.41Å
1550P95.9Very high94.4Very high90 Ų9053.7 Ų53.758%0.58429%0.287SS*.EExtended strand (participates in β ladder)trans-75.9132.4178.230.4-34.3000111.8C1544 I1633C1544-P1550 VanDerWaalsContact SG-CA 3.54Å; P1550-I1633 HydrophobicContact CB-CD1 3.84Å; P1550-I1633 HydrophobicContact CB-CG1 4.47Å
1551I95.9Very high94Very high84 Ų8448.6 Ų48.643%0.43126%0.263SS..EExtended strand (participates in β ladder)trans-105.5-49.7-178.6-51.2-58.2000111.5L1531 V1634 Q1636L1531-I1551 HydrophobicContact CD2-CG1 4.06Å; I1551-V1634 HydrophobicContact CB-CG1 4.47Å; I1551-V1634 WeakPolarHBondContact CB-O 3.29Å; I1551-V1634 PolarHBondContact N-O 3.18Å; I1551-Q1636 HydrophobicContact CD1-CB 3.82Å; I1551-Q1636 HydrophobicContact CG1-CB 3.99Å
1552Y97Very high93.2Very high66 Ų6647.1 Ų47.126%0.25926%0.256SS..EExtended strand (participates in β ladder)trans-161.7161.4170.666-101.4000112.5P1574 C1577 R1579 I1633 V1634Y1552-P1574 PolarHBondContact OH-O 3.4Å; Y1552-C1577 HydrophobicContact CE2-CB 4.05Å; Y1552-C1577 VanDerWaalsContact CE2-O 3.24Å; Y1552-C1577 WeakPolarHBondContact CE2-O 3.34Å; Y1552-C1577 PolarHBondContact OH-O 3.3Å; Y1552-R1579 HydrophobicContact CD2-CG 3.44Å; Y1552-R1579 VanDerWaalsContact CD2-CG 3.44Å; Y1552-R1579 HydrophobicContact CE2-CG 3.71Å; Y1552-R1579 HydrophobicContact CG-CG 4.01Å; Y1552-I1633 CarbonylContact O-C 3.48Å; Y1552-I1633 WeakPolarHBondContact O-CA 3.44Å; Y1552-I1633 WeakPolarHBondContact O-CG1 2.94Å; Y1552-V1634 HydrophobicContact CD1-CB 4.32Å; Y1552-V1634 HydrophobicContact CD2-CG2 4.27Å; Y1552-V1634 HydrophobicContact CE1-CB 4.07Å; Y1552-V1634 HydrophobicContact CE1-CG1 4.45Å; Y1552-V1634 HydrophobicContact CE1-CG2 3.93Å; Y1552-V1634 HydrophobicContact CE2-CB 4.33Å; Y1552-V1634 HydrophobicContact CE2-CG2 3.62Å; Y1552-V1634 VanDerWaalsContact CZ-CG2 3.44Å; Y1552-V1634 PolarHBondContact O-N 2.04Å
1553T98.3Very high92.3Very high58 Ų5849.3 Ų49.336%0.35627%0.266SS..EExtended strand (participates in β ladder)trans-106.4154.3169.566.10000112.5P1541 R1631 C1632 I1633P1541-T1553 HydrophobicContact CB-CG2 3.6Å; P1541-T1553 HydrophobicContact CG-CG2 3.92Å; T1553-R1631 PolarHBondContact OG1-NH2 3.19Å; T1553-C1632 CarbonylContact C-O 3.5Å; T1553-C1632 VanDerWaalsContact CA-O 3.25Å; T1553-C1632 WeakPolarHBondContact CA-O 3.38Å; T1553-C1632 WeakPolarHBondContact CB-O 3.39Å; T1553-I1633 HydrophobicContact CG2-CB 4.18Å; T1553-I1633 HydrophobicContact CG2-CD1 3.94Å; T1553-I1633 HydrophobicContact CG2-CG1 3.85Å
1554G97.8Very high91.1Very high0 Ų049.4 Ų49.40%026%0.259CS..EExtended strand (participates in β ladder)trans-158.6-166.6-175.600000113.4L1578 R1631 C1632G1554-L1578 CarbonylContact C-O 3.54Å; G1554-L1578 WeakPolarHBondContact CA-O 3.42Å; G1554-R1631 WeakPolarHBondContact O-CA 3.5Å; G1554-R1631 PolarHBondContact O-NE 2.89Å; G1554-R1631 PolarHBondContact O-NH1 2.82Å; G1554-C1632 PolarHBondContact N-O 2.92Å; G1554-C1632 PolarHBondContact O-N 2.9Å; G1554-C1632 PolarHBondContact O-SG 2.94Å; G1554-C1632 VanDerWaalsContact O-SG 3.39Å
1555Y98.1Very high90.2Very high55 Ų5553.5 Ų53.522%0.21628%0.279CS..EExtended strand (participates in β ladder)trans-108.7141.8175.4-60.4-90.1000110L1557 L1578 F1581 I1629 R1631 C1632Y1555-L1557 PolarHBondContact O-N 2.85Å; Y1555-L1578 PolarHBondContact N-O 3.23Å; Y1555-L1578 PolarHBondContact O-N 2.78Å; Y1555-F1581 HydrophobicContact CD1-CB 3.96Å; Y1555-F1581 HydrophobicContact CD2-CB 3.56Å; Y1555-F1581 HydrophobicContact CE1-CB 4.03Å; Y1555-F1581 HydrophobicContact CE2-CB 3.63Å; Y1555-F1581 HydrophobicContact CG-CB 3.7Å; Y1555-I1629 HydrophobicContact CD1-CB 4.29Å; Y1555-I1629 HydrophobicContact CD1-CG2 3.76Å; Y1555-I1629 HydrophobicContact CG-CG2 4.37Å; Y1555-R1631 VanDerWaalsContact CE1-NH1 3.32Å; Y1555-R1631 VanDerWaalsContact CG-NH1 3.31Å; Y1555-C1632 VanDerWaalsContact C-SG 3.54Å
1556S97.6Very high89.7Confident0 Ų054 Ų540%028%0.283CS..EExtended strand (participates in β ladder)trans-79.895.8-170.8-56.20000112.2H1535 S1576 W1608 L1609 S1630 R1631H1535-S1556 WeakPolarHBondContact ND1-CB 3.14Å; H1535-S1556 PolarHBondContact ND1-OG 2.95Å; S1556-S1576 CarbonylContact C-O 3.44Å; S1556-W1608 CarbonylContact O-C 3.25Å; S1556-W1608 VanDerWaalsContact O-CA 3.25Å; S1556-W1608 WeakPolarHBondContact O-CA 3.47Å; S1556-L1609 VanDerWaalsContact CB-CB 3.5Å; S1556-L1609 PolarHBondContact O-N 3.07Å; S1556-S1630 WeakPolarHBondContact CB-O 3.5Å; S1556-S1630 PolarHBondContact N-O 3.17Å; S1556-S1630 VanDerWaalsContact OG-C 3.32Å; S1556-S1630 WeakPolarHBondContact OG-CB 3.42Å; S1556-S1630 PolarHBondContact OG-O 2.67Å; S1556-S1630 PolarHBondContact OG-OG 3.49Å; S1556-R1631 PolarHBondContact OG-O 2.77Å
1557L95.6Very high89.7Confident4 Ų452.2 Ų52.22%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-81.6133172.8175.164.4000110.6Y1555 L1560 M1569 L1571 S1576 L1578 W1608Y1555-L1557 PolarHBondContact O-N 2.85Å; L1557-L1560 HydrophobicContact CD1-CD2 3.51Å; L1557-L1560 HydrophobicContact CD1-CG 4.04Å; L1557-L1560 HydrophobicContact CD2-CD1 4.12Å; L1557-L1560 HydrophobicContact CD2-CD2 4.11Å; L1557-L1560 HydrophobicContact CD2-CG 4Å; L1557-L1560 HydrophobicContact CG-CD2 4.45Å; L1557-M1569 HydrophobicContact CD2-CG 3.75Å; L1557-M1569 HydrophobicContact CG-CG 3.98Å; L1557-L1571 WeakPolarHBondContact O-CD2 3.49Å; L1557-S1576 PolarHBondContact N-O 2.86Å; L1557-L1578 HydrophobicContact CB-CD1 4.31Å; L1557-L1578 HydrophobicContact CB-CG 4.36Å; L1557-L1578 HydrophobicContact CD2-CD1 3.7Å; L1557-L1578 HydrophobicContact CD2-CG 4.18Å; L1557-W1608 HydrophobicContact CB-CE3 4.16Å; L1557-W1608 HydrophobicContact CB-CH2 4.48Å; L1557-W1608 HydrophobicContact CB-CZ3 4Å; L1557-W1608 HydrophobicContact CD1-CD2 4.47Å; L1557-W1608 HydrophobicContact CD1-CZ2 4.42Å
1558V93.1Very high89.8Confident2 Ų245.5 Ų45.51%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-105.9-58.7174.3-176.50000110.3T1568 M1569 L1571 Y1607 L1609 F1698V1558-T1568 CarbonylContact O-C 3.4Å; V1558-T1568 WeakPolarHBondContact O-CA 3.05Å; V1558-T1568 WeakPolarHBondContact O-CG2 3.33Å; V1558-M1569 PolarHBondContact O-N 3.05Å; V1558-L1571 HydrophobicContact CG2-CD2 4.17Å; V1558-Y1607 WeakPolarHBondContact CA-O 3.18Å; V1558-Y1607 WeakPolarHBondContact CB-O 3.41Å; V1558-Y1607 PolarHBondContact N-O 3.28Å; V1558-L1609 HydrophobicContact CG2-CB 3.9Å; V1558-L1609 HydrophobicContact CG2-CD1 3.91Å; V1558-F1698 HydrophobicContact CG2-CB 4.36Å
1559T90.3Very high89.8Confident4 Ų447.1 Ų47.13%0.02526%0.262CS..EExtended strand (participates in β ladder)trans-142.4143.2-173.7-52.20000111.5T1567 T1568 Y1607T1559-T1567 CarbonylContact C-O 3.56Å; T1559-T1567 WeakPolarHBondContact CA-O 3.36Å; T1559-T1568 VanDerWaalsContact CG2-OG1 3.3Å; T1559-T1568 WeakPolarHBondContact CG2-OG1 3.44Å; T1559-T1568 PolarHBondContact OG1-OG1 2.81Å; T1559-Y1607 HydrophobicContact CG2-CD2 4.08Å; T1559-Y1607 PolarHBondContact N-O 2.93Å; T1559-Y1607 VanDerWaalsContact N-O 3.11Å; T1559-Y1607 PolarHBondContact O-N 2.84Å
1560L89Confident90Very high34 Ų3445.2 Ų45.218%0.17825%0.249CC..EExtended strand (participates in β ladder)trans-110.4130.9165.6-59.4179000108.8L1557 S1566 T1567 P1585 F1586L1557-L1560 HydrophobicContact CD1-CD2 3.51Å; L1557-L1560 HydrophobicContact CD1-CG 4.04Å; L1557-L1560 HydrophobicContact CD2-CD1 4.12Å; L1557-L1560 HydrophobicContact CD2-CD2 4.11Å; L1557-L1560 HydrophobicContact CD2-CG 4Å; L1557-L1560 HydrophobicContact CG-CD2 4.45Å; L1560-S1566 CarbonylContact O-C 3.54Å; L1560-S1566 VanDerWaalsContact O-CA 3.29Å; L1560-S1566 WeakPolarHBondContact O-CA 3.41Å; L1560-T1567 PolarHBondContact N-O 3.37Å; L1560-T1567 PolarHBondContact O-N 2.78Å; L1560-P1585 HydrophobicContact CD1-CG 4.39Å; L1560-P1585 HydrophobicContact CD2-CG 3.44Å; L1560-P1585 VanDerWaalsContact CD2-CG 3.44Å; L1560-F1586 HydrophobicContact CB-CD1 4.14Å; L1560-F1586 HydrophobicContact CB-CE1 3.99Å; L1560-F1586 HydrophobicContact CD1-CD1 3.95Å; L1560-F1586 HydrophobicContact CD2-CD1 3.93Å; L1560-F1586 HydrophobicContact CD2-CE1 4.08Å; L1560-F1586 HydrophobicContact CG-CD1 4.23Å; L1560-F1586 HydrophobicContact CG-CE1 4.45Å
1561Q86.5Confident90Very high1 Ų140.9 Ų40.91%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-117.2123.2174.1179-175.2-17.800109.7D1564 D1565 F1586 G1604 R1605 Y1607 S1675Q1561-D1564 PolarHBondContact NE2-OD1 3.15Å; Q1561-D1564 VanDerWaalsContact NE2-OD1 3.13Å; Q1561-D1565 CarbonylContact C-O 3.4Å; Q1561-D1565 VanDerWaalsContact CA-O 3.26Å; Q1561-D1565 WeakPolarHBondContact CA-O 3.45Å; Q1561-D1565 WeakPolarHBondContact CG-O 3.42Å; Q1561-F1586 WeakPolarHBondContact O-CZ 3.24Å; Q1561-G1604 CarbonylContact O-C 3.03Å; Q1561-G1604 VanDerWaalsContact O-CA 3.27Å; Q1561-G1604 WeakPolarHBondContact O-CA 3.07Å; Q1561-R1605 HydrophobicContact CB-CB 4.18Å; Q1561-R1605 HydrophobicContact CB-CG 4.49Å; Q1561-R1605 PolarHBondContact N-O 2.89Å; Q1561-R1605 PolarHBondContact O-N 3.08Å; Q1561-Y1607 HydrophobicContact CB-CE2 4.14Å; Q1561-Y1607 PolarHBondContact OE1-OH 3.15Å; Q1561-S1675 PolarHBondContact OE1-OG 3.39Å
1562G81.3Confident90Very high14 Ų1437.1 Ų37.114%0.14420%0.203CC..EExtended strand (participates in β ladder)trans-140.2123.2-179.800000111.4D1564 D1565G1562-D1564 PolarHBondContact O-N 3.07Å; G1562-D1565 PolarHBondContact N-O 2.82Å; G1562-D1565 PolarHBondContact O-N 2.79Å
1563N75.7Confident89.9Confident67 Ų6736.4 Ų36.436%0.35821%0.206SC..THydrogen-bonded Turntrans57.136.7-174.2-44.3-49.7000113.2D1565 N1588 R1602N1563-D1565 PolarHBondContact O-N 3.43Å; N1563-D1565 VanDerWaalsContact O-N 3.11Å; N1563-N1588 PolarHBondContact ND2-ND2 3.46Å; N1563-N1588 PolarHBondContact OD1-ND2 3.35Å; N1563-N1588 VanDerWaalsContact OD1-ND2 3.08Å; N1563-R1602 WeakPolarHBondContact OD1-CD 3.37Å; N1563-R1602 PolarHBondContact OD1-NH1 3.12Å
1564D71.4Confident89.8Confident109 Ų10935.4 Ų35.458%0.58320%0.2SC*.THydrogen-bonded Turntrans637.2-177.8-51.9-45.8000116.3Q1561 G1562 N1677Q1561-D1564 PolarHBondContact NE2-OD1 3.15Å; Q1561-D1564 VanDerWaalsContact NE2-OD1 3.13Å; G1562-D1564 PolarHBondContact O-N 3.07Å; D1564-N1677 PolarHBondContact O-ND2 2.95Å
1565D77.4Confident89.7Confident115 Ų11536.8 Ų36.862%0.61521%0.214SC*.EExtended strand (participates in β ladder)trans-88.2152.7160.2-157.6-15.3000109.7Q1561 G1562 N1563Q1561-D1565 CarbonylContact C-O 3.4Å; Q1561-D1565 VanDerWaalsContact CA-O 3.26Å; Q1561-D1565 WeakPolarHBondContact CA-O 3.45Å; Q1561-D1565 WeakPolarHBondContact CG-O 3.42Å; G1562-D1565 PolarHBondContact N-O 2.82Å; G1562-D1565 PolarHBondContact O-N 2.79Å; N1563-D1565 PolarHBondContact O-N 3.43Å; N1563-D1565 VanDerWaalsContact O-N 3.11Å
1566S83.4Confident89.6Confident33 Ų3334.1 Ų34.123%0.23120%0.204CC..EExtended strand (participates in β ladder)trans-140.7123.2-175.662.90000114.7L1560L1560-S1566 CarbonylContact O-C 3.54Å; L1560-S1566 VanDerWaalsContact O-CA 3.29Å; L1560-S1566 WeakPolarHBondContact O-CA 3.41Å
1567T88Confident89.7Confident91 Ų9134.2 Ų34.256%0.55821%0.205SC*.EExtended strand (participates in β ladder)trans-103.1117.4173.9-51.40000109.6T1559 L1560T1559-T1567 CarbonylContact C-O 3.56Å; T1559-T1567 WeakPolarHBondContact CA-O 3.36Å; L1560-T1567 PolarHBondContact N-O 3.37Å; L1560-T1567 PolarHBondContact O-N 2.78Å
1568T89.3Confident89.8Confident36 Ų3636.7 Ų36.722%0.22122%0.218CC..EExtended strand (participates in β ladder)trans-99.1137.1174.2-700000110.3V1558 T1559 G1678 G1679V1558-T1568 CarbonylContact O-C 3.4Å; V1558-T1568 WeakPolarHBondContact O-CA 3.05Å; V1558-T1568 WeakPolarHBondContact O-CG2 3.33Å; T1559-T1568 VanDerWaalsContact CG2-OG1 3.3Å; T1559-T1568 WeakPolarHBondContact CG2-OG1 3.44Å; T1559-T1568 PolarHBondContact OG1-OG1 2.81Å; T1568-G1678 PolarHBondContact OG1-O 3.05Å; T1568-G1679 WeakPolarHBondContact OG1-CA 3.37Å; T1568-G1679 PolarHBondContact OG1-N 3.36Å
1569M92.3Very high89.9Confident50 Ų5045.3 Ų45.325%0.24625%0.25CS..PPolyproline II helixtrans-89.2142.4175-51.5-52.8-70.800109.5L1557 V1558 L1571 G1575 Q1681L1557-M1569 HydrophobicContact CD2-CG 3.75Å; L1557-M1569 HydrophobicContact CG-CG 3.98Å; V1558-M1569 PolarHBondContact O-N 3.05Å; M1569-L1571 PolarHBondContact O-N 3.06Å; M1569-G1575 WeakPolarHBondContact CE-O 3.47Å; M1569-Q1681 PolarHBondContact O-NE2 3.01Å
1570D95.1Very high90.1Very high36 Ų3653.6 Ų53.619%0.19329%0.286CS..PPolyproline II helixtrans-74.9119165.5177.6-5.8000108.9G1572 T1573 S1685D1570-G1572 PolarHBondContact O-N 2.58Å; D1570-G1572 PolarHBondContact OD1-N 2.93Å; D1570-T1573 HydrophobicContact CB-CG2 3.77Å; D1570-T1573 PolarHBondContact O-N 2.96Å; D1570-T1573 PolarHBondContact O-OG1 3.39Å; D1570-S1685 WeakPolarHBondContact OD1-CB 3.17Å; D1570-S1685 PolarHBondContact OD1-OG 3.12Å; D1570-S1685 VanDerWaalsContact OD2-CB 3.29Å; D1570-S1685 WeakPolarHBondContact OD2-CB 3.1Å; D1570-S1685 PolarHBondContact OD2-OG 2.83Å
1571L96.5Very high90.3Very high0 Ų054 Ų540%029%0.286CS..THydrogen-bonded Turntrans-64.1-17.3-179.3-65.3175.8000113T1533 H1535 L1557 V1558 M1569 T1573 S1576 L1609 F1668 Q1681 L1690T1533-L1571 WeakPolarHBondContact CB-O 3.31Å; H1535-L1571 PolarHBondContact CD2-O 2.91Å; H1535-L1571 WeakPolarHBondContact NE2-CD2 3.49Å; H1535-L1571 PolarHBondContact NE2-O 2.95Å; L1557-L1571 WeakPolarHBondContact O-CD2 3.49Å; V1558-L1571 HydrophobicContact CG2-CD2 4.17Å; M1569-L1571 PolarHBondContact O-N 3.06Å; L1571-T1573 VanDerWaalsContact C-N 3.32Å; L1571-S1576 PolarHBondContact O-OG 3.1Å; L1571-L1609 HydrophobicContact CD1-CD1 4.05Å; L1571-F1668 HydrophobicContact CD1-CD1 4.19Å; L1571-F1668 HydrophobicContact CD1-CE1 3.77Å; L1571-Q1681 VanDerWaalsContact CB-OE1 3.25Å; L1571-Q1681 VanDerWaalsContact CG-OE1 3.27Å; L1571-L1690 HydrophobicContact CD1-CD2 4.27Å
1572G95.8Very high90.5Very high5 Ų555.9 Ų55.95%0.05230%0.299CS..THydrogen-bonded Turntrans-78.5-16.6171.700000113.3F1532 T1533 D1570 S1685F1532-G1572 CarbonylContact C-O 3.36Å; F1532-G1572 VanDerWaalsContact CA-O 3.29Å; F1532-G1572 WeakPolarHBondContact CA-O 3.24Å; T1533-G1572 PolarHBondContact N-O 3Å; D1570-G1572 PolarHBondContact O-N 2.58Å; D1570-G1572 PolarHBondContact OD1-N 2.93Å; G1572-S1685 WeakPolarHBondContact CA-OG 3.11Å
1573T95.9Very high91Very high50 Ų5056 Ų5631%0.30730%0.297SS..SBendtrans-97.8154.5-173.271.60000112.8T1533 D1570 L1571 G1575 S1576T1533-T1573 PolarHBondContact OG1-O 2.67Å; D1570-T1573 HydrophobicContact CB-CG2 3.77Å; D1570-T1573 PolarHBondContact O-N 2.96Å; D1570-T1573 PolarHBondContact O-OG1 3.39Å; L1571-T1573 VanDerWaalsContact C-N 3.32Å; T1573-G1575 PolarHBondContact O-N 3.24Å; T1573-S1576 PolarHBondContact O-N 3.09Å; T1573-S1576 VanDerWaalsContact O-N 3.15Å; T1573-S1576 PolarHBondContact O-OG 3.12Å
1574P96.5Very high91.6Very high37 Ų3753.5 Ų53.524%0.2428%0.283CS..G310 helixtrans-55.4-22.2175.2-28.937000115.1L1531 T1533 Y1552 S1576 C1577 V1634L1531-P1574 HydrophobicContact CB-CG 3.61Å; L1531-P1574 HydrophobicContact CD1-CG 4.22Å; T1533-P1574 WeakPolarHBondContact OG1-CA 3.34Å; Y1552-P1574 PolarHBondContact OH-O 3.4Å; P1574-S1576 VanDerWaalsContact C-N 3.29Å; P1574-S1576 PolarHBondContact O-N 2.85Å; P1574-C1577 PolarHBondContact O-N 3.37Å; P1574-C1577 VanDerWaalsContact O-N 3.07Å; P1574-V1634 HydrophobicContact CB-CG1 4.12Å; P1574-V1634 HydrophobicContact CB-CG2 4.11Å; P1574-V1634 HydrophobicContact CG-CG1 3.92Å
1575G94.9Very high92.5Very high29 Ų2950.6 Ų50.630%0.29927%0.27SS..G310 helixtrans-66.4-25.4179.400000114.4M1569 T1573 C1577M1569-G1575 WeakPolarHBondContact CE-O 3.47Å; T1573-G1575 PolarHBondContact O-N 3.24Å; G1575-C1577 PolarHBondContact O-N 2.26Å
1576S97Very high93Very high0 Ų047.3 Ų47.30%025%0.25CS..G310 helixtrans-72.9-12.8171.967.30000113.3H1535 S1556 L1557 L1571 T1573 P1574H1535-S1576 PolarHBondContact CE1-OG 3.1Å; H1535-S1576 VanDerWaalsContact CE1-OG 3.24Å; H1535-S1576 WeakPolarHBondContact NE2-CB 3.48Å; H1535-S1576 PolarHBondContact NE2-OG 3.48Å; S1556-S1576 CarbonylContact C-O 3.44Å; L1557-S1576 PolarHBondContact N-O 2.86Å; L1571-S1576 PolarHBondContact O-OG 3.1Å; T1573-S1576 PolarHBondContact O-N 3.09Å; T1573-S1576 VanDerWaalsContact O-N 3.15Å; T1573-S1576 PolarHBondContact O-OG 3.12Å; P1574-S1576 VanDerWaalsContact C-N 3.29Å; P1574-S1576 PolarHBondContact O-N 2.85Å
1577C98Very high93.1Very high2 Ų248.1 Ų48.11%0.01426%0.259CS..EExtended strand (participates in β ladder)trans-108.889.2-173.8-160.50000111.9T1533 Y1552 P1574 G1575 C1632 V1634T1533-C1577 HydrophobicContact CG2-CB 3.87Å; Y1552-C1577 HydrophobicContact CE2-CB 4.05Å; Y1552-C1577 VanDerWaalsContact CE2-O 3.24Å; Y1552-C1577 WeakPolarHBondContact CE2-O 3.34Å; Y1552-C1577 PolarHBondContact OH-O 3.3Å; P1574-C1577 PolarHBondContact O-N 3.37Å; P1574-C1577 VanDerWaalsContact O-N 3.07Å; G1575-C1577 PolarHBondContact O-N 2.26Å; C1577-C1632 WeakPolarHBondContact CA-SG 3.13Å; C1577-C1632 HydrophobicContact CB-CB 3.97Å; C1577-C1632 WeakPolarHBondContact CB-SG 3.36Å; C1577-C1632 VanDerWaalsContact SG-C 3.57Å; C1577-C1632 WeakPolarHBondContact SG-CB 3.19Å; C1577-C1632 CovalentContact SG-SG 2.04Å; C1577-C1632 PolarHBondContact SG-SG 2.86Å; C1577-V1634 HydrophobicContact CB-CG2 3.69Å
1578L97.4Very high92.7Very high56 Ų5645 Ų4529%0.29324%0.239SC..EExtended strand (participates in β ladder)trans-85.2118.9178.6-71.9-175.5000111.5G1554 Y1555 L1557 K1580 P1585 W1608G1554-L1578 CarbonylContact C-O 3.54Å; G1554-L1578 WeakPolarHBondContact CA-O 3.42Å; Y1555-L1578 PolarHBondContact N-O 3.23Å; Y1555-L1578 PolarHBondContact O-N 2.78Å; L1557-L1578 HydrophobicContact CB-CD1 4.31Å; L1557-L1578 HydrophobicContact CB-CG 4.36Å; L1557-L1578 HydrophobicContact CD2-CD1 3.7Å; L1557-L1578 HydrophobicContact CD2-CG 4.18Å; L1578-K1580 PolarHBondContact O-N 2.88Å; L1578-P1585 HydrophobicContact CD1-CB 4.05Å; L1578-P1585 HydrophobicContact CD1-CG 4.37Å; L1578-W1608 HydrophobicContact CB-CH2 4.18Å; L1578-W1608 HydrophobicContact CB-CZ3 4.21Å; L1578-W1608 HydrophobicContact CD1-CH2 3.72Å; L1578-W1608 HydrophobicContact CD1-CZ3 4.33Å; L1578-W1608 HydrophobicContact CG-CH2 4.49Å
1579R96.6Very high92.2Very high183 Ų18346.7 Ų46.769%0.69125%0.251SS*.SBendtrans-57.4-19.2177.6-67-175.468.7-169.24.2114.4Y1552Y1552-R1579 HydrophobicContact CD2-CG 3.44Å; Y1552-R1579 VanDerWaalsContact CD2-CG 3.44Å; Y1552-R1579 HydrophobicContact CE2-CG 3.71Å; Y1552-R1579 HydrophobicContact CG-CG 4.01Å
1580K94.3Very high91.1Very high178 Ų17847.8 Ų47.877%0.77426%0.255SS*.SBendtrans-129.8132174.8-66.2-174.1177.8-175.70110.1L1578L1578-K1580 PolarHBondContact O-N 2.88Å
1581F93.8Very high89.5Confident42 Ų4250 Ų5018%0.18428%0.278CS..  trans-78.7148.4169.3176.9-105.9000110.7Y1555 I1583 W1608 V1622 I1625 I1629Y1555-F1581 HydrophobicContact CD1-CB 3.96Å; Y1555-F1581 HydrophobicContact CD2-CB 3.56Å; Y1555-F1581 HydrophobicContact CE1-CB 4.03Å; Y1555-F1581 HydrophobicContact CE2-CB 3.63Å; Y1555-F1581 HydrophobicContact CG-CB 3.7Å; F1581-I1583 HydrophobicContact CE1-CG2 4.48Å; F1581-W1608 AromaticContact CD2-CD2 3.7Å; F1581-W1608 HydrophobicContact CD2-CD2 3.7Å; F1581-W1608 AromaticContact CD2-CE2 3.61Å; F1581-W1608 AromaticContact CD2-CE3 3.89Å; F1581-W1608 HydrophobicContact CD2-CE3 3.89Å; F1581-W1608 HydrophobicContact CD2-CG 4.34Å; F1581-W1608 AromaticContact CD2-CH2 3.93Å; F1581-W1608 HydrophobicContact CD2-CH2 3.93Å; F1581-W1608 AromaticContact CD2-CZ2 3.74Å; F1581-W1608 HydrophobicContact CD2-CZ2 3.74Å; F1581-W1608 HydrophobicContact CD2-CZ3 4.01Å; F1581-W1608 AromaticContact CE2-CD1 3.75Å; F1581-W1608 AromaticContact CE2-CD2 3.63Å; F1581-W1608 HydrophobicContact CE2-CD2 3.63Å; F1581-W1608 AromaticContact CE2-CE2 3.49Å; F1581-W1608 VanDerWaalsContact CE2-CE2 3.49Å; F1581-W1608 HydrophobicContact CE2-CE3 4.27Å; F1581-W1608 AromaticContact CE2-CG 3.82Å; F1581-W1608 HydrophobicContact CE2-CG 3.82Å; F1581-W1608 HydrophobicContact CE2-CZ2 4.04Å; F1581-W1608 AromaticContact CE2-NE1 3.54Å; F1581-V1622 HydrophobicContact CE1-CG2 4.11Å; F1581-I1625 HydrophobicContact CD1-CG2 4.4Å; F1581-I1625 HydrophobicContact CE1-CG2 3.48Å; F1581-I1625 VanDerWaalsContact CE1-CG2 3.48Å; F1581-I1625 HydrophobicContact CZ-CG2 3.72Å; F1581-I1629 HydrophobicContact CD2-CD1 4.47Å; F1581-I1629 HydrophobicContact CD2-CG1 4.12Å; F1581-I1629 HydrophobicContact CD2-CG2 3.95Å; F1581-I1629 HydrophobicContact CE2-CD1 3.61Å; F1581-I1629 HydrophobicContact CE2-CG1 3.67Å; F1581-I1629 HydrophobicContact CE2-CG2 4.1Å; F1581-I1629 HydrophobicContact CZ-CD1 3.84Å; F1581-I1629 HydrophobicContact CZ-CG1 3.9Å
1582S90.8Very high87.7Confident41 Ų4160.2 Ų60.229%0.28732%0.323SS..  trans-155.7145.5164.5178.70000108.1M1584 W1608S1582-M1584 PolarHBondContact O-N 3.13Å; S1582-M1584 VanDerWaalsContact O-N 3.12Å; S1582-M1584 PolarHBondContact OG-N 3.32Å; S1582-M1584 PolarHBondContact OG-O 2.93Å; S1582-W1608 WeakPolarHBondContact O-CZ2 3.28Å
1583I90.8Very high86.1Confident16 Ų1665.1 Ų65.18%0.08235%0.351CS..SBendtrans-58.2-21.1166.161.3177.4000112.3F1581 S1606 V1622 C1701F1581-I1583 HydrophobicContact CE1-CG2 4.48Å; I1583-S1606 VanDerWaalsContact C-OG 3.3Å; I1583-S1606 PolarHBondContact O-OG 3.34Å; I1583-V1622 HydrophobicContact CG2-CB 4Å; I1583-V1622 HydrophobicContact CG2-CG2 3.87Å; I1583-C1701 HydrophobicContact CB-CB 4.18Å; I1583-C1701 HydrophobicContact CG2-CB 4.25Å
1584M89.3Confident84.6Confident15 Ų1568.7 Ų68.77%0.07437%0.369CS..  trans-146.189.2-178-169.247.947.800108.9S1582 F1586 N1600 G1604 N1703S1582-M1584 PolarHBondContact O-N 3.13Å; S1582-M1584 VanDerWaalsContact O-N 3.12Å; S1582-M1584 PolarHBondContact OG-N 3.32Å; S1582-M1584 PolarHBondContact OG-O 2.93Å; M1584-F1586 VanDerWaalsContact C-N 3.29Å; M1584-F1586 HydrophobicContact CE-CE1 4.06Å; M1584-F1586 HydrophobicContact CE-CZ 4.1Å; M1584-F1586 PolarHBondContact O-N 3.05Å; M1584-F1586 HydrophobicContact SD-CD1 3.76Å; M1584-F1586 HydrophobicContact SD-CD2 4.23Å; M1584-F1586 HydrophobicContact SD-CE1 3.33Å; M1584-F1586 WeakPolarHBondContact SD-CE1 3.44Å; M1584-F1586 HydrophobicContact SD-CE2 3.84Å; M1584-F1586 HydrophobicContact SD-CG 4.19Å; M1584-F1586 HydrophobicContact SD-CZ 3.36Å; M1584-F1586 WeakPolarHBondContact SD-CZ 3.36Å; M1584-N1600 VanDerWaalsContact CB-OD1 3.26Å; M1584-N1600 WeakPolarHBondContact CB-OD1 3.37Å; M1584-N1600 WeakPolarHBondContact CG-OD1 3.47Å; M1584-G1604 WeakPolarHBondContact CE-O 3.46Å; M1584-N1703 HydrophobicContact CE-CB 3.84Å
1585P90.2Very high83.6Confident47 Ų4769.8 Ų69.831%0.30539%0.386SS..  trans-86.66.9-175.934.5-35.7000113.8L1560 L1578 W1608L1560-P1585 HydrophobicContact CD1-CG 4.39Å; L1560-P1585 HydrophobicContact CD2-CG 3.44Å; L1560-P1585 VanDerWaalsContact CD2-CG 3.44Å; L1578-P1585 HydrophobicContact CD1-CB 4.05Å; L1578-P1585 HydrophobicContact CD1-CG 4.37Å; P1585-W1608 HydrophobicContact CB-CZ2 4.49Å; P1585-W1608 HydrophobicContact CG-CZ2 4.11Å
1586F87.8Confident82.7Confident47 Ų4775.2 Ų75.221%0.20640%0.404CS..  trans-135171.5-177.866.6-88.3000112.2L1560 Q1561 M1584 N1588L1560-F1586 HydrophobicContact CB-CD1 4.14Å; L1560-F1586 HydrophobicContact CB-CE1 3.99Å; L1560-F1586 HydrophobicContact CD1-CD1 3.95Å; L1560-F1586 HydrophobicContact CD2-CD1 3.93Å; L1560-F1586 HydrophobicContact CD2-CE1 4.08Å; L1560-F1586 HydrophobicContact CG-CD1 4.23Å; L1560-F1586 HydrophobicContact CG-CE1 4.45Å; Q1561-F1586 WeakPolarHBondContact O-CZ 3.24Å; M1584-F1586 VanDerWaalsContact C-N 3.29Å; M1584-F1586 HydrophobicContact CE-CE1 4.06Å; M1584-F1586 HydrophobicContact CE-CZ 4.1Å; M1584-F1586 PolarHBondContact O-N 3.05Å; M1584-F1586 HydrophobicContact SD-CD1 3.76Å; M1584-F1586 HydrophobicContact SD-CD2 4.23Å; M1584-F1586 HydrophobicContact SD-CE1 3.33Å; M1584-F1586 WeakPolarHBondContact SD-CE1 3.44Å; M1584-F1586 HydrophobicContact SD-CE2 3.84Å; M1584-F1586 HydrophobicContact SD-CG 4.19Å; M1584-F1586 HydrophobicContact SD-CZ 3.36Å; M1584-F1586 WeakPolarHBondContact SD-CZ 3.36Å; F1586-N1588 WeakPolarHBondContact CE2-OD1 3.5Å
1587A84.7Confident81.9Confident49 Ų4978.4 Ų78.441%0.40543%0.425SS..  trans-136.5139.8179.500000110.9V1599A1587-V1599 HydrophobicContact CB-CG2 3.83Å
1588N79.3Confident80.8Confident26 Ų2681.6 Ų81.614%0.13944%0.44CS..EExtended strand (participates in β ladder)trans-95.7103.5-178.7-75.3-4.6000110.7N1563 F1586 F1590 Q1598N1563-N1588 PolarHBondContact ND2-ND2 3.46Å; N1563-N1588 PolarHBondContact OD1-ND2 3.35Å; N1563-N1588 VanDerWaalsContact OD1-ND2 3.08Å; F1586-N1588 WeakPolarHBondContact CE2-OD1 3.5Å; N1588-F1590 HydrophobicContact CB-CE2 4.11Å; N1588-F1590 HydrophobicContact CB-CZ 4.22Å; N1588-Q1598 PolarHBondContact N-O 3.26Å; N1588-Q1598 PolarHBondContact O-N 3.17Å
1589C78.6Confident79.9Confident72 Ų7282.9 Ų82.949%0.48645%0.45SS..EExtended strand (participates in β ladder)trans-94.4108.6177.7-62.90000111.8A1591 C1597C1589-A1591 PolarHBondContact O-N 2.8Å; C1589-C1597 HydrophobicContact CB-CB 4.08Å; C1589-C1597 WeakPolarHBondContact CB-SG 3.29Å; C1589-C1597 WeakPolarHBondContact SG-CB 3.16Å; C1589-C1597 CovalentContact SG-SG 2.04Å; C1589-C1597 PolarHBondContact SG-SG 3.39Å
1590F69.3Low78.6Confident72 Ų7277.9 Ų77.932%0.31644%0.437SS..  trans-84.261178.6-63.5-74.7000111.1N1588 K1592 V1593 H1596 Q1598N1588-F1590 HydrophobicContact CB-CE2 4.11Å; N1588-F1590 HydrophobicContact CB-CZ 4.22Å; F1590-K1592 PolarHBondContact O-N 2.82Å; F1590-K1592 VanDerWaalsContact O-N 3.08Å; F1590-V1593 HydrophobicContact CB-CG2 4.46Å; F1590-V1593 PolarHBondContact O-N 3.34Å; F1590-H1596 PolarHBondContact N-O 2.83Å; F1590-Q1598 HydrophobicContact CE2-CG 4.48Å
1591A61.9Low77Confident84 Ų8475.6 Ų75.669%0.69443%0.431SS*.THydrogen-bonded Turntrans-58-24.8-172.200000114.5C1589 V1593C1589-A1591 PolarHBondContact O-N 2.8Å; A1591-V1593 VanDerWaalsContact C-N 3.32Å; A1591-V1593 PolarHBondContact O-N 3.36Å
1592K59.3Low75.7Confident214 Ų21479.5 Ų79.593%0.9344%0.444SS*.THydrogen-bonded Turntrans-78.7-4.9176-75.8-170.9175.1-178.80115.2F1590F1590-K1592 PolarHBondContact O-N 2.82Å; F1590-K1592 VanDerWaalsContact O-N 3.08Å
1593V61.8Low74.8Confident108 Ų10883 Ų8366%0.65546%0.46SS*.THydrogen-bonded Turntrans-117.8-72.2-173.7-162.90000111.4F1590 A1591F1590-V1593 HydrophobicContact CB-CG2 4.46Å; F1590-V1593 PolarHBondContact O-N 3.34Å; A1591-V1593 VanDerWaalsContact C-N 3.32Å; A1591-V1593 PolarHBondContact O-N 3.36Å
1594N64.5Low74.4Confident125 Ų12582.5 Ų82.567%0.66846%0.458SS*.THydrogen-bonded Turntrans-131.411.2-169.2-63.1-21.4000114.4H1596N1594-H1596 PolarHBondContact O-CD2 3.08Å; N1594-H1596 PolarHBondContact O-N 2.81Å
1595G75.9Confident74.2Confident59 Ų5984.4 Ų84.461%0.60846%0.464SS*.SBendtrans67.8-14.1-175.400000116.2
1596H75Confident74.2Confident143 Ų14382.2 Ų82.266%0.66245%0.45SS*.  trans-70.1137.5178.9-70.4-73.1000113.5F1590 N1594F1590-H1596 PolarHBondContact N-O 2.83Å; N1594-H1596 PolarHBondContact O-CD2 3.08Å; N1594-H1596 PolarHBondContact O-N 2.81Å
1597C80.9Confident74.4Confident67 Ų6780.1 Ų80.145%0.45344%0.441SS..EExtended strand (participates in β ladder)trans-100.8137.7168-61.40000111.4C1589C1589-C1597 HydrophobicContact CB-CB 4.08Å; C1589-C1597 WeakPolarHBondContact CB-SG 3.29Å; C1589-C1597 WeakPolarHBondContact SG-CB 3.16Å; C1589-C1597 CovalentContact SG-SG 2.04Å; C1589-C1597 PolarHBondContact SG-SG 3.39Å
1598Q75.6Confident74.8Confident69 Ų6977.8 Ų77.832%0.32242%0.422SS..EExtended strand (participates in β ladder)trans-106.1107.2175.3-67.5-172-18.400110.1N1588 F1590 M1601N1588-Q1598 PolarHBondContact N-O 3.26Å; N1588-Q1598 PolarHBondContact O-N 3.17Å; F1590-Q1598 HydrophobicContact CE2-CG 4.48Å; Q1598-M1601 HydrophobicContact CB-CB 4.36Å; Q1598-M1601 HydrophobicContact CB-CE 4.24Å; Q1598-M1601 HydrophobicContact CG-CE 4.14Å
1599V77.3Confident75.6Confident84 Ų8476.6 Ų76.651%0.50942%0.415SS..SBendtrans-89.1137.5161.5-170.10000107.1A1587 M1601A1587-V1599 HydrophobicContact CB-CG2 3.83Å; V1599-M1601 WeakPolarHBondContact O-CG 3.16Å; V1599-M1601 PolarHBondContact O-N 2.85Å
1600N68.9Low76.4Confident77 Ų7773.1 Ų73.141%0.41239%0.392SS..SBendtrans53.324.1170.5-66.422.5000117.6M1584 N1703M1584-N1600 VanDerWaalsContact CB-OD1 3.26Å; M1584-N1600 WeakPolarHBondContact CB-OD1 3.37Å; M1584-N1600 WeakPolarHBondContact CG-OD1 3.47Å; N1600-N1703 WeakPolarHBondContact CA-ND2 3.26Å; N1600-N1703 VanDerWaalsContact CA-OD1 3.24Å; N1600-N1703 WeakPolarHBondContact CA-OD1 3.35Å; N1600-N1703 WeakPolarHBondContact CB-OD1 2.94Å; N1600-N1703 PolarHBondContact ND2-OD1 2.89Å; N1600-N1703 PolarHBondContact O-ND2 3.14Å; N1600-N1703 PolarHBondContact OD1-OD1 3.07Å
1601M60.4Low77.7Confident131 Ų13169.9 Ų69.965%0.64538%0.378SS*.  trans-120.617.2-176.5-72.8-175.7-75.700115.6Q1598 V1599Q1598-M1601 HydrophobicContact CB-CB 4.36Å; Q1598-M1601 HydrophobicContact CB-CE 4.24Å; Q1598-M1601 HydrophobicContact CG-CE 4.14Å; V1599-M1601 WeakPolarHBondContact O-CG 3.16Å; V1599-M1601 PolarHBondContact O-N 2.85Å
1602R67.1Low79.2Confident124 Ų12469.8 Ų69.847%0.46837%0.365SS..SBendtrans-141.5174.2174.3-95.9-168.2170.8-152.7-6.3111.5N1563 G1604N1563-R1602 WeakPolarHBondContact OD1-CD 3.37Å; N1563-R1602 PolarHBondContact OD1-NH1 3.12Å; R1602-G1604 PolarHBondContact O-N 3.11Å
1603N73.1Confident80.7Confident115 Ų11563.2 Ų63.262%0.61534%0.338SS*.SBendtrans-67.141.5171.6-64.1-1.3000113.2
1604G80.8Confident82Confident4 Ų462.1 Ų62.14%0.04133%0.326CS..  trans-68.9145167.800000110.1Q1561 M1584 R1602Q1561-G1604 CarbonylContact O-C 3.03Å; Q1561-G1604 VanDerWaalsContact O-CA 3.27Å; Q1561-G1604 WeakPolarHBondContact O-CA 3.07Å; M1584-G1604 WeakPolarHBondContact CE-O 3.46Å; R1602-G1604 PolarHBondContact O-N 3.11Å
1605R86.1Confident83.3Confident56 Ų5658 Ų5821%0.21130%0.301CS..EExtended strand (participates in β ladder)trans-131.2152.3174.4-39.9-168.7164.8167.4-12.8110.3Q1561 Y1607 S1674 E1700 C1701 N1702Q1561-R1605 HydrophobicContact CB-CB 4.18Å; Q1561-R1605 HydrophobicContact CB-CG 4.49Å; Q1561-R1605 PolarHBondContact N-O 2.89Å; Q1561-R1605 PolarHBondContact O-N 3.08Å; R1605-Y1607 HydrophobicContact CB-CE2 4.07Å; R1605-Y1607 WeakPolarHBondContact CD-OH 3.24Å; R1605-Y1607 PolarHBondContact NH1-OH 3.2Å; R1605-S1674 PolarHBondContact NH1-OG 3.48Å; R1605-E1700 IonicContact CZ-OE1 3.48Å; R1605-E1700 IonicContact NE-OE1 3.74Å; R1605-E1700 IonicContact NH1-OE1 3.88Å; R1605-E1700 IonicContact NH1-OE2 3.4Å; R1605-C1701 WeakPolarHBondContact CA-O 3.48Å; R1605-N1702 WeakPolarHBondContact CB-OD1 3.19Å; R1605-N1702 WeakPolarHBondContact CD-OD1 3.14Å; R1605-N1702 WeakPolarHBondContact CG-OD1 3.27Å; R1605-N1702 PolarHBondContact NE-OD1 3.22Å
1606S89.7Confident83.9Confident0 Ų055.5 Ų55.50%027%0.273CS..EExtended strand (participates in β ladder)trans-128.2135.8166.559.40000110.4I1583 W1608 C1701I1583-S1606 VanDerWaalsContact C-OG 3.3Å; I1583-S1606 PolarHBondContact O-OG 3.34Å; S1606-W1608 PolarHBondContact OG-NE1 2.79Å; S1606-C1701 PolarHBondContact N-O 3.18Å; S1606-C1701 WeakPolarHBondContact O-CB 3.41Å; S1606-C1701 PolarHBondContact O-N 2.82Å
1607Y91.8Very high84.6Confident4 Ų452.6 Ų52.62%0.01626%0.262CS..EExtended strand (participates in β ladder)trans-110.4121.7179.9-59.9-92.6000108.3V1558 T1559 Q1561 R1605 S1675 F1698 I1699 E1700V1558-Y1607 WeakPolarHBondContact CA-O 3.18Å; V1558-Y1607 WeakPolarHBondContact CB-O 3.41Å; V1558-Y1607 PolarHBondContact N-O 3.28Å; T1559-Y1607 HydrophobicContact CG2-CD2 4.08Å; T1559-Y1607 PolarHBondContact N-O 2.93Å; T1559-Y1607 VanDerWaalsContact N-O 3.11Å; T1559-Y1607 PolarHBondContact O-N 2.84Å; Q1561-Y1607 HydrophobicContact CB-CE2 4.14Å; Q1561-Y1607 PolarHBondContact OE1-OH 3.15Å; R1605-Y1607 HydrophobicContact CB-CE2 4.07Å; R1605-Y1607 WeakPolarHBondContact CD-OH 3.24Å; R1605-Y1607 PolarHBondContact NH1-OH 3.2Å; Y1607-S1675 PolarHBondContact OH-OG 3.43Å; Y1607-F1698 HydrophobicContact CD1-CD2 4.06Å; Y1607-F1698 HydrophobicContact CD1-CE2 4.2Å; Y1607-I1699 WeakPolarHBondContact CA-O 3.26Å; Y1607-E1700 HydrophobicContact CD1-CB 3.85Å; Y1607-E1700 HydrophobicContact CD1-CG 4Å; Y1607-E1700 HydrophobicContact CE1-CB 3.67Å; Y1607-E1700 HydrophobicContact CE1-CG 3.46Å; Y1607-E1700 VanDerWaalsContact CE1-CG 3.46Å; Y1607-E1700 VanDerWaalsContact CE1-OE2 3.22Å; Y1607-E1700 WeakPolarHBondContact CE1-OE2 3.47Å; Y1607-E1700 PolarHBondContact OH-OE2 3.43Å
1608W94.3Very high85Confident0 Ų053.2 Ų53.20%027%0.268CS..EExtended strand (participates in β ladder)trans-115.1146.3-177.4-60.380.4000109.1S1556 L1557 L1578 F1581 S1582 P1585 S1606 S1610 I1629 F1698 I1699S1556-W1608 CarbonylContact O-C 3.25Å; S1556-W1608 VanDerWaalsContact O-CA 3.25Å; S1556-W1608 WeakPolarHBondContact O-CA 3.47Å; L1557-W1608 HydrophobicContact CB-CE3 4.16Å; L1557-W1608 HydrophobicContact CB-CH2 4.48Å; L1557-W1608 HydrophobicContact CB-CZ3 4Å; L1557-W1608 HydrophobicContact CD1-CD2 4.47Å; L1557-W1608 HydrophobicContact CD1-CZ2 4.42Å; L1578-W1608 HydrophobicContact CB-CH2 4.18Å; L1578-W1608 HydrophobicContact CB-CZ3 4.21Å; L1578-W1608 HydrophobicContact CD1-CH2 3.72Å; L1578-W1608 HydrophobicContact CD1-CZ3 4.33Å; L1578-W1608 HydrophobicContact CG-CH2 4.49Å; F1581-W1608 AromaticContact CD2-CD2 3.7Å; F1581-W1608 HydrophobicContact CD2-CD2 3.7Å; F1581-W1608 AromaticContact CD2-CE2 3.61Å; F1581-W1608 AromaticContact CD2-CE3 3.89Å; F1581-W1608 HydrophobicContact CD2-CE3 3.89Å; F1581-W1608 HydrophobicContact CD2-CG 4.34Å; F1581-W1608 AromaticContact CD2-CH2 3.93Å; F1581-W1608 HydrophobicContact CD2-CH2 3.93Å; F1581-W1608 AromaticContact CD2-CZ2 3.74Å; F1581-W1608 HydrophobicContact CD2-CZ2 3.74Å; F1581-W1608 HydrophobicContact CD2-CZ3 4.01Å; F1581-W1608 AromaticContact CE2-CD1 3.75Å; F1581-W1608 AromaticContact CE2-CD2 3.63Å; F1581-W1608 HydrophobicContact CE2-CD2 3.63Å; F1581-W1608 AromaticContact CE2-CE2 3.49Å; F1581-W1608 VanDerWaalsContact CE2-CE2 3.49Å; F1581-W1608 HydrophobicContact CE2-CE3 4.27Å; F1581-W1608 AromaticContact CE2-CG 3.82Å; F1581-W1608 HydrophobicContact CE2-CG 3.82Å; F1581-W1608 HydrophobicContact CE2-CZ2 4.04Å; F1581-W1608 AromaticContact CE2-NE1 3.54Å; S1582-W1608 WeakPolarHBondContact O-CZ2 3.28Å; P1585-W1608 HydrophobicContact CB-CZ2 4.49Å; P1585-W1608 HydrophobicContact CG-CZ2 4.11Å; S1606-W1608 PolarHBondContact OG-NE1 2.79Å; W1608-S1610 PolarHBondContact O-N 3.49Å; W1608-I1629 HydrophobicContact CB-CD1 4.16Å; W1608-I1629 HydrophobicContact CB-CG2 4.16Å; W1608-I1629 HydrophobicContact CD2-CG2 4.46Å; W1608-I1629 HydrophobicContact CE3-CG2 4.21Å; W1608-I1629 HydrophobicContact CG-CD1 4.44Å; W1608-I1629 HydrophobicContact CG-CG2 4.46Å; W1608-F1698 CarbonylContact O-C 3.47Å; W1608-F1698 WeakPolarHBondContact O-CA 3.48Å; W1608-F1698 VanDerWaalsContact O-CB 3.29Å; W1608-F1698 WeakPolarHBondContact O-CB 3.39Å; W1608-I1699 HydrophobicContact CB-CG2 4.11Å; W1608-I1699 PolarHBondContact N-O 3.01Å; W1608-I1699 PolarHBondContact O-N 2.76Å
1609L95.6Very high85.7Confident0 Ų052.7 Ų52.70%027%0.27CS..EExtended strand (participates in β ladder)trans-64.5131.5173.1-156.878.9000106.9H1535 Q1537 S1556 V1558 L1571 S1630 L1690 P1697H1535-L1609 HydrophobicContact CB-CD2 3.76Å; Q1537-L1609 HydrophobicContact CG-CD2 3.8Å; S1556-L1609 VanDerWaalsContact CB-CB 3.5Å; S1556-L1609 PolarHBondContact O-N 3.07Å; V1558-L1609 HydrophobicContact CG2-CB 3.9Å; V1558-L1609 HydrophobicContact CG2-CD1 3.91Å; L1571-L1609 HydrophobicContact CD1-CD1 4.05Å; L1609-S1630 WeakPolarHBondContact O-CB 3.4Å; L1609-S1630 PolarHBondContact O-N 2.99Å; L1609-L1690 HydrophobicContact CD1-CD1 4.24Å; L1609-L1690 HydrophobicContact CD1-CD2 4.42Å; L1609-L1690 HydrophobicContact CD2-CD2 3.91Å; L1609-P1697 CarbonylContact C-O 3.59Å; L1609-P1697 WeakPolarHBondContact CA-O 3.49Å; L1609-P1697 HydrophobicContact CD1-CB 4.4Å; L1609-P1697 VanDerWaalsContact CD1-O 3.28Å; L1609-P1697 WeakPolarHBondContact CD1-O 3.23Å; L1609-P1697 WeakPolarHBondContact CG-O 3.49Å
1610S95.1Very high86.2Confident0 Ų049.5 Ų49.50%025%0.253CS..BIsolated β-bridgetrans-90.7157.8-176.873.70000111.5W1608 Y1628 R1694 P1697 H1710W1608-S1610 PolarHBondContact O-N 3.49Å; S1610-Y1628 VanDerWaalsContact CA-O 3.23Å; S1610-Y1628 WeakPolarHBondContact CA-O 3.2Å; S1610-Y1628 WeakPolarHBondContact CB-O 3.47Å; S1610-R1694 PolarHBondContact OG-NE 3.22Å; S1610-P1697 PolarHBondContact N-O 3.01Å; S1610-H1710 WeakPolarHBondContact CB-NE2 2.43Å; S1610-H1710 PolarHBondContact OG-NE2 3.02Å
1611T96.3Very high87Confident3 Ų353.5 Ų53.52%0.01826%0.262CS..  trans-72175.3171.763.10000112Q1537 E1613 P1627 Y1628 R1694Q1537-T1611 CarbonylContact O-C 3.59Å; Q1537-T1611 WeakPolarHBondContact O-CA 3.42Å; T1611-E1613 PolarHBondContact O-N 2.93Å; T1611-E1613 WeakPolarHBondContact OG1-CB 3.28Å; T1611-E1613 PolarHBondContact OG1-N 3.05Å; T1611-P1627 WeakPolarHBondContact CB-O 3.31Å; T1611-P1627 WeakPolarHBondContact CG2-O 3.48Å; T1611-P1627 PolarHBondContact OG1-O 2.04Å; T1611-Y1628 PolarHBondContact N-O 3.12Å; T1611-Y1628 VanDerWaalsContact N-O 3.1Å; T1611-Y1628 WeakPolarHBondContact OG1-CA 3.38Å; T1611-R1694 PolarHBondContact O-NE 3.42Å; T1611-R1694 PolarHBondContact O-NH1 3.03Å; T1611-R1694 VanDerWaalsContact O-NH1 3.12Å
1612L94.4Very high88.2Confident83 Ų8350 Ų5044%0.43525%0.248SC..SBendtrans-75-0.7170.7-64.4-172.9000114.4Q1537 H1692 R1694Q1537-L1612 HydrophobicContact CB-CD2 4.36Å; Q1537-L1612 HydrophobicContact CB-CG 4.32Å; Q1537-L1612 PolarHBondContact O-N 3.13Å; L1612-H1692 HydrophobicContact CD1-CB 3.99Å; L1612-H1692 HydrophobicContact CD2-CB 3.92Å; L1612-H1692 HydrophobicContact CG-CB 4.44Å; L1612-R1694 PolarHBondContact O-NH1 3.49Å; L1612-R1694 VanDerWaalsContact O-NH1 3.09Å
1613E90.6Very high89Confident75 Ų7550.4 Ų50.435%0.3526%0.255SS..SBendtrans-55.8157.7177.9-92.1-70.1-171.600114.2T1611 Y1615 Y1628 R1694T1611-E1613 PolarHBondContact O-N 2.93Å; T1611-E1613 WeakPolarHBondContact OG1-CB 3.28Å; T1611-E1613 PolarHBondContact OG1-N 3.05Å; E1613-Y1615 PolarHBondContact O-N 3.45Å; E1613-Y1628 HydrophobicContact CB-CD1 3.99Å; E1613-Y1628 HydrophobicContact CB-CE1 3.91Å; E1613-R1694 VanDerWaalsContact O-CZ 3.29Å; E1613-R1694 PolarHBondContact O-NH1 3.23Å; E1613-R1694 PolarHBondContact O-NH2 3.32Å
1614Q89.3Confident89.8Confident86 Ų8650.3 Ų50.340%0.40226%0.255SS..PPolyproline II helixtrans-55.2126.8177.3-174.9174.70.500109.7E228 R607 M1616 Y1628E228-Q1614 PolarHBondContact OE1-NE2 2.79Å; R607-Q1614 VanDerWaalsContact NH1-OE1 3.09Å; Q1614-M1616 PolarHBondContact O-N 3.02Å; Q1614-Y1628 WeakPolarHBondContact O-CE1 3.36Å
1615Y90.6Very high90.4Very high37 Ų3750.2 Ų50.215%0.14525%0.253CS..PPolyproline II helixtrans-48.4138.6179.4-71.9-72000111.7I227 E1613 R1694 L1696 H1710I227-Y1615 HydrophobicContact CB-CG 4.47Å; I227-Y1615 HydrophobicContact CG2-CD1 4Å; I227-Y1615 HydrophobicContact CG2-CD2 3.93Å; I227-Y1615 HydrophobicContact CG2-CG 3.64Å; I227-Y1615 WeakPolarHBondContact O-CB 3.25Å; E1613-Y1615 PolarHBondContact O-N 3.45Å; Y1615-R1694 VanDerWaalsContact CE1-NH2 3.31Å; Y1615-R1694 VanDerWaalsContact OH-CG 3.28Å; Y1615-R1694 WeakPolarHBondContact OH-CG 3.5Å; Y1615-L1696 HydrophobicContact CE1-CB 3.88Å; Y1615-L1696 PolarHBondContact OH-N 3.09Å; Y1615-H1710 HydrophobicContact CD1-CB 4.26Å; Y1615-H1710 AromaticContact CD1-CD2 3.8Å; Y1615-H1710 AromaticContact CD1-CG 3.82Å
1616M89.5Confident90.7Very high7 Ų754.1 Ų54.13%0.03427%0.272CS..PPolyproline II helixtrans-68.7138.7-176.7-63-160.4-50.600111.2Q1614 A1620 I1625 Y1628 I1699 C1708 F1709Q1614-M1616 PolarHBondContact O-N 3.02Å; M1616-A1620 HydrophobicContact CE-CB 3.88Å; M1616-A1620 HydrophobicContact SD-CB 3.61Å; M1616-I1625 HydrophobicContact CE-CD1 3.62Å; M1616-I1625 HydrophobicContact SD-CD1 3.74Å; M1616-Y1628 HydrophobicContact CG-CD1 3.75Å; M1616-Y1628 HydrophobicContact CG-CD2 4.18Å; M1616-Y1628 HydrophobicContact CG-CE1 3.52Å; M1616-Y1628 HydrophobicContact CG-CE2 3.97Å; M1616-Y1628 HydrophobicContact CG-CG 4.06Å; M1616-Y1628 HydrophobicContact SD-CD1 4.12Å; M1616-Y1628 HydrophobicContact SD-CD2 3.5Å; M1616-Y1628 WeakPolarHBondContact SD-CD2 3.45Å; M1616-Y1628 HydrophobicContact SD-CE1 4.15Å; M1616-Y1628 HydrophobicContact SD-CE2 3.52Å; M1616-Y1628 VanDerWaalsContact SD-CE2 3.52Å; M1616-Y1628 HydrophobicContact SD-CG 3.79Å; M1616-I1699 HydrophobicContact CE-CD1 3.66Å; M1616-C1708 WeakPolarHBondContact CE-O 3.33Å; M1616-F1709 HydrophobicContact CB-CD2 4.05Å; M1616-F1709 HydrophobicContact CB-CE2 4.03Å; M1616-F1709 HydrophobicContact CE-CD2 4.13Å; M1616-F1709 WeakPolarHBondContact O-CE2 3.29Å
1617L89.3Confident90.9Very high83 Ų8356.8 Ų56.844%0.43529%0.289SS..SBendtrans-88.6-23.2-179.3-51.8-175.8000112.5T226 E228T226-L1617 HydrophobicContact CG2-CB 3.84Å; T226-L1617 HydrophobicContact CG2-CD2 4.33Å; E228-L1617 HydrophobicContact CG-CD2 3.57Å
1618S89.7Confident91.1Very high80 Ų8059.3 Ų59.356%0.55930%0.298SS*.SBendtrans-142.2153.6175.157.40000110.3A1620 F1709S1618-A1620 PolarHBondContact O-N 3.5Å; S1618-F1709 WeakPolarHBondContact O-CD2 3.11Å
1619P89.7Confident91.2Very high57 Ų5759.3 Ų59.337%0.3730%0.299SS..  trans-53.6136.5171.9-25.634.2000111.9N1707 C1708 F1709 W1711P1619-N1707 HydrophobicContact CB-CB 4.09Å; P1619-C1708 WeakPolarHBondContact CA-O 3.49Å; P1619-F1709 HydrophobicContact CB-CB 4.1Å; P1619-F1709 HydrophobicContact CB-CD2 4.36Å; P1619-F1709 HydrophobicContact CB-CG 4.27Å; P1619-F1709 HydrophobicContact CG-CB 4.07Å; P1619-F1709 HydrophobicContact CG-CD1 4.14Å; P1619-F1709 HydrophobicContact CG-CD2 4.07Å; P1619-F1709 HydrophobicContact CG-CG 3.84Å; P1619-F1709 VanDerWaalsContact N-CD2 3.31Å; P1619-W1711 HydrophobicContact CG-CH2 4.41Å
1620A88.5Confident91.3Very high18 Ų1859.3 Ų59.315%0.14930%0.299CS..EExtended strand (participates in β ladder)trans-116138.9-179.100000110.5M1616 S1618 I1625 N1707 C1708M1616-A1620 HydrophobicContact CE-CB 3.88Å; M1616-A1620 HydrophobicContact SD-CB 3.61Å; S1618-A1620 PolarHBondContact O-N 3.5Å; A1620-I1625 HydrophobicContact CB-CD1 4.05Å; A1620-N1707 CarbonylContact O-C 3.33Å; A1620-N1707 WeakPolarHBondContact O-CA 3.4Å; A1620-C1708 PolarHBondContact N-O 2.89Å; A1620-C1708 PolarHBondContact O-N 3.42Å
1621R86.3Confident91.5Very high161 Ų16160.9 Ų60.961%0.60831%0.305SS*.EExtended strand (participates in β ladder)trans-68.3156.4175.9-66.1-176.8176.7179.5-0.9112.1E1623 N1624 I1625 G1706 N1707R1621-E1623 WeakPolarHBondContact CB-OE2 3.47Å; R1621-E1623 PolarHBondContact O-N 3.25Å; R1621-N1624 PolarHBondContact O-N 2.83Å; R1621-I1625 PolarHBondContact O-N 3Å; R1621-G1706 WeakPolarHBondContact CA-O 3.29Å; R1621-N1707 WeakPolarHBondContact CA-OD1 3.37Å; R1621-N1707 VanDerWaalsContact CG-OD1 3.27Å; R1621-N1707 WeakPolarHBondContact CG-OD1 3.4Å; R1621-N1707 PolarHBondContact N-OD1 2.88Å
1622V84.5Confident91.6Very high57 Ų5760.8 Ų60.835%0.34530%0.304SS..G310 helixtrans-46.8-33.8179.467.40000115.1F1581 I1583 N1624 I1625 G1706F1581-V1622 HydrophobicContact CE1-CG2 4.11Å; I1583-V1622 HydrophobicContact CG2-CB 4Å; I1583-V1622 HydrophobicContact CG2-CG2 3.87Å; V1622-N1624 VanDerWaalsContact C-N 3.33Å; V1622-N1624 PolarHBondContact O-N 2.83Å; V1622-I1625 WeakPolarHBondContact O-CG2 3.45Å; V1622-G1706 PolarHBondContact N-O 3.44Å
1623E84.2Confident91.7Very high133 Ų13357.4 Ų57.462%0.62129%0.286SS*.G310 helixtrans-70.1-32.6-178.9-50.580.5-171.800112.3R1621R1621-E1623 WeakPolarHBondContact CB-OE2 3.47Å; R1621-E1623 PolarHBondContact O-N 3.25Å
1624N90Very high92.1Very high113 Ų11353.9 Ų53.960%0.60427%0.27SS*.G310 helixtrans-94.5-2.7-175.3-66.7-29.1000113.1R1621 V1622 K1626 P1627R1621-N1624 PolarHBondContact O-N 2.83Å; V1622-N1624 VanDerWaalsContact C-N 3.33Å; V1622-N1624 PolarHBondContact O-N 2.83Å; N1624-K1626 PolarHBondContact O-N 3.33Å; N1624-P1627 VanDerWaalsContact O-CD 3.3Å; N1624-P1627 WeakPolarHBondContact O-CD 3.29Å
1625I93.1Very high92.4Very high2 Ų249.8 Ų49.81%0.0125%0.25CS..  trans-82.7-12.6-169.3-15266.6000114.6F1581 M1616 A1620 R1621 V1622 P1627 Y1628 I1629 I1699 C1708F1581-I1625 HydrophobicContact CD1-CG2 4.4Å; F1581-I1625 HydrophobicContact CE1-CG2 3.48Å; F1581-I1625 VanDerWaalsContact CE1-CG2 3.48Å; F1581-I1625 HydrophobicContact CZ-CG2 3.72Å; M1616-I1625 HydrophobicContact CE-CD1 3.62Å; M1616-I1625 HydrophobicContact SD-CD1 3.74Å; A1620-I1625 HydrophobicContact CB-CD1 4.05Å; R1621-I1625 PolarHBondContact O-N 3Å; V1622-I1625 WeakPolarHBondContact O-CG2 3.45Å; I1625-P1627 VanDerWaalsContact C-N 3.33Å; I1625-P1627 VanDerWaalsContact O-N 3.13Å; I1625-Y1628 HydrophobicContact CD1-CD2 4.07Å; I1625-Y1628 HydrophobicContact CD1-CG 4.44Å; I1625-Y1628 PolarHBondContact O-N 2.88Å; I1625-I1629 HydrophobicContact CG1-CD1 3.88Å; I1625-I1629 HydrophobicContact CG1-CG1 4.19Å; I1625-I1629 HydrophobicContact CG2-CD1 4.38Å; I1625-I1629 HydrophobicContact CG2-CG1 4.01Å; I1625-I1629 PolarHBondContact O-N 3.03Å; I1625-I1699 HydrophobicContact CD1-CD1 3.76Å; I1625-I1699 HydrophobicContact CG1-CD1 4.3Å; I1625-C1708 HydrophobicContact CD1-CB 3.69Å; I1625-C1708 HydrophobicContact CG1-CB 3.84Å
1626K92.3Very high92.6Very high138 Ų13850.9 Ų50.960%0.626%0.257SS*.G310 helixtrans-47.6-42.2-176.4-172.2-170.8173.5-1650114.4N1624 Y1628N1624-K1626 PolarHBondContact O-N 3.33Å; K1626-Y1628 PolarHBondContact O-N 3.04Å
1627P94.7Very high92.7Very high55 Ų5550.7 Ų50.736%0.35726%0.256SS..G310 helixtrans-67.9-15.1179-19.934.3000114.7T1611 N1624 I1625T1611-P1627 WeakPolarHBondContact CB-O 3.31Å; T1611-P1627 WeakPolarHBondContact CG2-O 3.48Å; T1611-P1627 PolarHBondContact OG1-O 2.04Å; N1624-P1627 VanDerWaalsContact O-CD 3.3Å; N1624-P1627 WeakPolarHBondContact O-CD 3.29Å; I1625-P1627 VanDerWaalsContact C-N 3.33Å; I1625-P1627 VanDerWaalsContact O-N 3.13Å
1628Y95.4Very high92.6Very high57 Ų5754.2 Ų54.222%0.22426%0.264CS..G310 helixtrans-104.6-10.2-173-59.8-75.1000114.2S1610 T1611 E1613 Q1614 M1616 I1625 K1626 H1710S1610-Y1628 VanDerWaalsContact CA-O 3.23Å; S1610-Y1628 WeakPolarHBondContact CA-O 3.2Å; S1610-Y1628 WeakPolarHBondContact CB-O 3.47Å; T1611-Y1628 PolarHBondContact N-O 3.12Å; T1611-Y1628 VanDerWaalsContact N-O 3.1Å; T1611-Y1628 WeakPolarHBondContact OG1-CA 3.38Å; E1613-Y1628 HydrophobicContact CB-CD1 3.99Å; E1613-Y1628 HydrophobicContact CB-CE1 3.91Å; Q1614-Y1628 WeakPolarHBondContact O-CE1 3.36Å; M1616-Y1628 HydrophobicContact CG-CD1 3.75Å; M1616-Y1628 HydrophobicContact CG-CD2 4.18Å; M1616-Y1628 HydrophobicContact CG-CE1 3.52Å; M1616-Y1628 HydrophobicContact CG-CE2 3.97Å; M1616-Y1628 HydrophobicContact CG-CG 4.06Å; M1616-Y1628 HydrophobicContact SD-CD1 4.12Å; M1616-Y1628 HydrophobicContact SD-CD2 3.5Å; M1616-Y1628 WeakPolarHBondContact SD-CD2 3.45Å; M1616-Y1628 HydrophobicContact SD-CE1 4.15Å; M1616-Y1628 HydrophobicContact SD-CE2 3.52Å; M1616-Y1628 VanDerWaalsContact SD-CE2 3.52Å; M1616-Y1628 HydrophobicContact SD-CG 3.79Å; I1625-Y1628 HydrophobicContact CD1-CD2 4.07Å; I1625-Y1628 HydrophobicContact CD1-CG 4.44Å; I1625-Y1628 PolarHBondContact O-N 2.88Å; K1626-Y1628 PolarHBondContact O-N 3.04Å; Y1628-H1710 AromaticContact CD1-CE1 3.74Å
1629I96.5Very high92.5Very high1 Ų150.9 Ų50.91%0.00524%0.24CC..BIsolated β-bridgetrans-97.6117.9178-49.5-57.1000110Y1555 F1581 W1608 I1625 I1699Y1555-I1629 HydrophobicContact CD1-CB 4.29Å; Y1555-I1629 HydrophobicContact CD1-CG2 3.76Å; Y1555-I1629 HydrophobicContact CG-CG2 4.37Å; F1581-I1629 HydrophobicContact CD2-CD1 4.47Å; F1581-I1629 HydrophobicContact CD2-CG1 4.12Å; F1581-I1629 HydrophobicContact CD2-CG2 3.95Å; F1581-I1629 HydrophobicContact CE2-CD1 3.61Å; F1581-I1629 HydrophobicContact CE2-CG1 3.67Å; F1581-I1629 HydrophobicContact CE2-CG2 4.1Å; F1581-I1629 HydrophobicContact CZ-CD1 3.84Å; F1581-I1629 HydrophobicContact CZ-CG1 3.9Å; W1608-I1629 HydrophobicContact CB-CD1 4.16Å; W1608-I1629 HydrophobicContact CB-CG2 4.16Å; W1608-I1629 HydrophobicContact CD2-CG2 4.46Å; W1608-I1629 HydrophobicContact CE3-CG2 4.21Å; W1608-I1629 HydrophobicContact CG-CD1 4.44Å; W1608-I1629 HydrophobicContact CG-CG2 4.46Å; I1625-I1629 HydrophobicContact CG1-CD1 3.88Å; I1625-I1629 HydrophobicContact CG1-CG1 4.19Å; I1625-I1629 HydrophobicContact CG2-CD1 4.38Å; I1625-I1629 HydrophobicContact CG2-CG1 4.01Å; I1625-I1629 PolarHBondContact O-N 3.03Å; I1629-I1699 HydrophobicContact CD1-CG2 3.72Å
1630S97.8Very high92.4Very high0 Ų054.6 Ų54.60%025%0.247CC..PPolyproline II helixtrans-59.3140175.8171.10000111.6Q1537 D1538 S1556 L1609Q1537-S1630 WeakPolarHBondContact CA-OG 3.39Å; Q1537-S1630 PolarHBondContact N-OG 2.81Å; Q1537-S1630 VanDerWaalsContact N-OG 3.08Å; D1538-S1630 CarbonylContact O-C 3.58Å; D1538-S1630 WeakPolarHBondContact O-CA 3.29Å; S1556-S1630 WeakPolarHBondContact CB-O 3.5Å; S1556-S1630 PolarHBondContact N-O 3.17Å; S1556-S1630 VanDerWaalsContact OG-C 3.32Å; S1556-S1630 WeakPolarHBondContact OG-CB 3.42Å; S1556-S1630 PolarHBondContact OG-O 2.67Å; S1556-S1630 PolarHBondContact OG-OG 3.49Å; L1609-S1630 WeakPolarHBondContact O-CB 3.4Å; L1609-S1630 PolarHBondContact O-N 2.99Å
1631R98.1Very high92.6Very high33 Ų3354.5 Ų54.513%0.12524%0.244CC..EExtended strand (participates in β ladder)trans-92.7156.6171-60.1-68.1-67.2157.46.3111.7S1536 D1538 S1539 Q1540 P1541 T1553 G1554 Y1555 S1556S1536-R1631 PolarHBondContact N-O 3.37Å; S1536-R1631 PolarHBondContact OG-N 3.03Å; S1536-R1631 PolarHBondContact OG-O 2.98Å; D1538-R1631 PolarHBondContact O-N 2.73Å; S1539-R1631 WeakPolarHBondContact O-CG 3.46Å; Q1540-R1631 WeakPolarHBondContact O-CB 3.27Å; P1541-R1631 HydrophobicContact CB-CB 4.32Å; P1541-R1631 HydrophobicContact CG-CB 4.25Å; P1541-R1631 HydrophobicContact CG-CG 4.47Å; T1553-R1631 PolarHBondContact OG1-NH2 3.19Å; G1554-R1631 WeakPolarHBondContact O-CA 3.5Å; G1554-R1631 PolarHBondContact O-NE 2.89Å; G1554-R1631 PolarHBondContact O-NH1 2.82Å; Y1555-R1631 VanDerWaalsContact CE1-NH1 3.32Å; Y1555-R1631 VanDerWaalsContact CG-NH1 3.31Å; S1556-R1631 PolarHBondContact OG-O 2.77Å
1632C98.3Very high93.1Very high0 Ų047.4 Ų47.40%022%0.218CC..EExtended strand (participates in β ladder)trans-137.1163.4177550000111.4T1533 V1534 T1553 G1554 Y1555 C1577T1533-C1632 HydrophobicContact CG2-CB 3.78Å; V1534-C1632 CarbonylContact O-C 3.54Å; V1534-C1632 WeakPolarHBondContact O-CA 3.3Å; V1534-C1632 WeakPolarHBondContact O-CB 3.34Å; T1553-C1632 CarbonylContact C-O 3.5Å; T1553-C1632 VanDerWaalsContact CA-O 3.25Å; T1553-C1632 WeakPolarHBondContact CA-O 3.38Å; T1553-C1632 WeakPolarHBondContact CB-O 3.39Å; G1554-C1632 PolarHBondContact N-O 2.92Å; G1554-C1632 PolarHBondContact O-N 2.9Å; G1554-C1632 PolarHBondContact O-SG 2.94Å; G1554-C1632 VanDerWaalsContact O-SG 3.39Å; Y1555-C1632 VanDerWaalsContact C-SG 3.54Å; C1577-C1632 WeakPolarHBondContact CA-SG 3.13Å; C1577-C1632 HydrophobicContact CB-CB 3.97Å; C1577-C1632 WeakPolarHBondContact CB-SG 3.36Å; C1577-C1632 VanDerWaalsContact SG-C 3.57Å; C1577-C1632 WeakPolarHBondContact SG-CB 3.19Å; C1577-C1632 CovalentContact SG-SG 2.04Å; C1577-C1632 PolarHBondContact SG-SG 2.86Å
1633I98.3Very high93.6Very high13 Ų1345 Ų457%0.06720%0.204CC..EExtended strand (participates in β ladder)trans-131.4140.5169-165165.4000108.4T1533 V1534 P1542 P1550 Y1552 T1553T1533-I1633 WeakPolarHBondContact CA-O 3.29Å; V1534-I1633 HydrophobicContact CB-CG2 4.03Å; V1534-I1633 PolarHBondContact N-O 2.78Å; V1534-I1633 PolarHBondContact O-N 2.87Å; P1542-I1633 HydrophobicContact CG-CB 4.47Å; P1542-I1633 HydrophobicContact CG-CG2 3.87Å; P1542-I1633 WeakPolarHBondContact O-CG2 3.33Å; P1550-I1633 HydrophobicContact CB-CD1 3.84Å; P1550-I1633 HydrophobicContact CB-CG1 4.47Å; Y1552-I1633 CarbonylContact O-C 3.48Å; Y1552-I1633 WeakPolarHBondContact O-CA 3.44Å; Y1552-I1633 WeakPolarHBondContact O-CG1 2.94Å; T1553-I1633 HydrophobicContact CG2-CB 4.18Å; T1553-I1633 HydrophobicContact CG2-CD1 3.94Å; T1553-I1633 HydrophobicContact CG2-CG1 3.85Å
1634V98Very high94.2Very high0 Ų041.5 Ų41.50%019%0.187CC..EExtended strand (participates in β ladder)trans-97.4127.4168.1178.10000107.9L1531 F1532 I1551 Y1552 P1574 C1577L1531-V1634 HydrophobicContact CB-CG1 4.38Å; F1532-V1634 WeakPolarHBondContact O-CA 3.3Å; I1551-V1634 HydrophobicContact CB-CG1 4.47Å; I1551-V1634 WeakPolarHBondContact CB-O 3.29Å; I1551-V1634 PolarHBondContact N-O 3.18Å; Y1552-V1634 HydrophobicContact CD1-CB 4.32Å; Y1552-V1634 HydrophobicContact CD2-CG2 4.27Å; Y1552-V1634 HydrophobicContact CE1-CB 4.07Å; Y1552-V1634 HydrophobicContact CE1-CG1 4.45Å; Y1552-V1634 HydrophobicContact CE1-CG2 3.93Å; Y1552-V1634 HydrophobicContact CE2-CB 4.33Å; Y1552-V1634 HydrophobicContact CE2-CG2 3.62Å; Y1552-V1634 VanDerWaalsContact CZ-CG2 3.44Å; Y1552-V1634 PolarHBondContact O-N 2.04Å; P1574-V1634 HydrophobicContact CB-CG1 4.12Å; P1574-V1634 HydrophobicContact CB-CG2 4.11Å; P1574-V1634 HydrophobicContact CG-CG1 3.92Å; C1577-V1634 HydrophobicContact CB-CG2 3.69Å
1635C96.3Very high94.5Very high0 Ų038 Ų380%017%0.167CC..EExtended strand (participates in β ladder)trans-117.5154.6-178.9-51.70000110L1531 F1532 C1544 T1549L1531-C1635 WeakPolarHBondContact CA-O 3.5Å; F1532-C1635 HydrophobicContact CD1-CB 4.15Å; F1532-C1635 WeakPolarHBondContact CD1-O 3.42Å; F1532-C1635 HydrophobicContact CD2-CB 4.48Å; F1532-C1635 HydrophobicContact CE1-CB 3.5Å; F1532-C1635 VanDerWaalsContact CE1-CB 3.5Å; F1532-C1635 HydrophobicContact CE2-CB 3.89Å; F1532-C1635 HydrophobicContact CZ-CB 3.37Å; F1532-C1635 PolarHBondContact N-O 2.94Å; F1532-C1635 PolarHBondContact O-N 2.89Å; C1544-C1635 WeakPolarHBondContact CA-SG 3.38Å; C1544-C1635 HydrophobicContact CB-CB 3.96Å; C1544-C1635 WeakPolarHBondContact CB-SG 3.34Å; C1544-C1635 WeakPolarHBondContact SG-CB 3.41Å; C1544-C1635 CovalentContact SG-SG 2.04Å; C1544-C1635 PolarHBondContact SG-SG 2.8Å; T1549-C1635 CarbonylContact O-C 3.57Å; T1549-C1635 VanDerWaalsContact O-CA 3.26Å; T1549-C1635 WeakPolarHBondContact O-CA 3.22Å
1636Q94.3Very high94.5Very high60 Ų6039.1 Ų39.128%0.2818%0.175SC..EExtended strand (participates in β ladder)trans-112.8136173.7-176.5-173.730.100110.2F1530 L1531 T1548 T1549 I1551F1530-Q1636 WeakPolarHBondContact O-CA 3.4Å; L1531-Q1636 HydrophobicContact CD2-CB 3.71Å; L1531-Q1636 HydrophobicContact CD2-CG 3.98Å; T1548-Q1636 CarbonylContact C-O 3.39Å; T1548-Q1636 VanDerWaalsContact CA-O 3.27Å; T1548-Q1636 WeakPolarHBondContact CA-O 3.04Å; T1548-Q1636 VanDerWaalsContact CB-O 3.23Å; T1548-Q1636 WeakPolarHBondContact CB-O 3.06Å; T1549-Q1636 PolarHBondContact N-O 3.49Å; T1549-Q1636 PolarHBondContact O-N 3.41Å; I1551-Q1636 HydrophobicContact CD1-CB 3.82Å; I1551-Q1636 HydrophobicContact CG1-CB 3.99Å
1637S91.6Very high94.5Very high3 Ų336.7 Ų36.72%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-127.5149.5179.4177.70000110.6G1529 F1530 T1639 R1753G1529-S1637 CarbonylContact C-O 3.58Å; G1529-S1637 VanDerWaalsContact C-O 3.3Å; G1529-S1637 WeakPolarHBondContact CA-O 3.47Å; F1530-S1637 PolarHBondContact N-O 3.24Å; F1530-S1637 PolarHBondContact O-N 3.34Å; S1637-T1639 VanDerWaalsContact C-N 3.27Å; S1637-T1639 VanDerWaalsContact CB-O 3.26Å; S1637-T1639 WeakPolarHBondContact CB-O 3.46Å; S1637-T1639 PolarHBondContact O-N 3.45Å; S1637-T1639 PolarHBondContact OG-N 3.15Å; S1637-T1639 PolarHBondContact OG-O 3.14Å; S1637-R1753 WeakPolarHBondContact OG-CD 3.48Å
1638R87.6Confident94.4Very high158 Ų15839.6 Ų39.660%0.59617%0.169SC*.SBendtrans-71.2-22.6172.9-67.4-170.8-179.4163.5-4.4113.4M1756R1638-M1756 HydrophobicContact CB-CE 4.17Å; R1638-M1756 HydrophobicContact CG-CE 4.11Å
1639T87.9Confident94.1Very high9 Ų940.7 Ų40.76%0.05518%0.179CC..SBendtrans-128150.9178.844.50000111F1530 S1637 L1641 R1753 R1754 L1759F1530-T1639 VanDerWaalsContact CD2-C 3.45Å; S1637-T1639 VanDerWaalsContact C-N 3.27Å; S1637-T1639 VanDerWaalsContact CB-O 3.26Å; S1637-T1639 WeakPolarHBondContact CB-O 3.46Å; S1637-T1639 PolarHBondContact O-N 3.45Å; S1637-T1639 PolarHBondContact OG-N 3.15Å; S1637-T1639 PolarHBondContact OG-O 3.14Å; T1639-L1641 WeakPolarHBondContact O-CD1 3.17Å; T1639-R1753 VanDerWaalsContact OG1-CD 3.26Å; T1639-R1753 WeakPolarHBondContact OG1-CD 3.46Å; T1639-R1753 WeakPolarHBondContact OG1-CG 3.44Å; T1639-R1754 HydrophobicContact CG2-CB 4.46Å; T1639-R1754 PolarHBondContact OG1-O 3.09Å; T1639-L1759 HydrophobicContact CG2-CD1 3.31Å
1640W86.8Confident93.8Very high135 Ų13544.1 Ų44.151%0.51120%0.197SC..  trans-55.2148.8173.166.6-45.1000113.1F1530 V1642 W1659F1530-W1640 HydrophobicContact CD1-CB 3.92Å; F1530-W1640 HydrophobicContact CE1-CB 3.95Å; F1530-W1640 HydrophobicContact CG-CB 4.27Å; F1530-W1640 HydrophobicContact CZ-CB 4.34Å; W1640-V1642 HydrophobicContact CD2-CG2 3.79Å; W1640-V1642 HydrophobicContact CE3-CG2 3.27Å; W1640-V1642 HydrophobicContact CH2-CG2 3.76Å; W1640-V1642 HydrophobicContact CZ2-CG2 4.22Å; W1640-V1642 HydrophobicContact CZ3-CG2 3.26Å; W1640-W1659 HydrophobicContact CD2-CH2 4.23Å; W1640-W1659 AromaticContact CE2-CH2 3.55Å; W1640-W1659 HydrophobicContact CH2-CH2 4.29Å; W1640-W1659 AromaticContact CZ2-CH2 3.6Å; W1640-W1659 HydrophobicContact CZ2-CH2 3.6Å; W1640-W1659 AromaticContact CZ2-CZ2 3.95Å; W1640-W1659 HydrophobicContact CZ2-CZ2 3.95Å; W1640-W1659 AromaticContact NE1-CH2 3.67Å
1641L93.2Very high93.1Very high16 Ų1646.5 Ų46.58%0.08421%0.21CC..EExtended strand (participates in β ladder)trans-108.8140.6172.4-78.175.9000108.9F1532 T1639 A1662 W1663 P1686 V1751 C1752 R1753F1532-L1641 HydrophobicContact CD1-CD1 3.74Å; F1532-L1641 HydrophobicContact CD1-CD2 4.15Å; F1532-L1641 HydrophobicContact CD2-CD2 3.73Å; F1532-L1641 HydrophobicContact CE1-CD1 3.79Å; F1532-L1641 HydrophobicContact CE1-CD2 4.02Å; F1532-L1641 HydrophobicContact CE2-CD2 3.58Å; F1532-L1641 HydrophobicContact CG-CD1 4.24Å; F1532-L1641 HydrophobicContact CG-CD2 4.01Å; F1532-L1641 HydrophobicContact CZ-CD1 4.31Å; F1532-L1641 HydrophobicContact CZ-CD2 3.72Å; T1639-L1641 WeakPolarHBondContact O-CD1 3.17Å; L1641-A1662 HydrophobicContact CD2-CB 3.97Å; L1641-W1663 HydrophobicContact CD2-CH2 4.47Å; L1641-W1663 HydrophobicContact CD2-CZ3 3.96Å; L1641-P1686 HydrophobicContact CB-CG 3.86Å; L1641-V1751 HydrophobicContact CB-CG1 3.95Å; L1641-V1751 HydrophobicContact CD2-CG1 3.95Å; L1641-V1751 HydrophobicContact CG-CG1 4.4Å; L1641-C1752 WeakPolarHBondContact CA-O 3.38Å; L1641-R1753 HydrophobicContact CD1-CB 4.4Å; L1641-R1753 HydrophobicContact CD1-CG 4.32Å; L1641-R1753 HydrophobicContact CG-CB 4.14Å
1642V95.3Very high92.2Very high13 Ų1347.6 Ų47.68%0.07923%0.231CC..EExtended strand (participates in β ladder)trans-131.3134.6-177.3-179.80000109.4W1640 F1644 W1659 E1684 V1751 C1752W1640-V1642 HydrophobicContact CD2-CG2 3.79Å; W1640-V1642 HydrophobicContact CE3-CG2 3.27Å; W1640-V1642 HydrophobicContact CH2-CG2 3.76Å; W1640-V1642 HydrophobicContact CZ2-CG2 4.22Å; W1640-V1642 HydrophobicContact CZ3-CG2 3.26Å; V1642-F1644 HydrophobicContact CB-CD2 4.42Å; V1642-F1644 HydrophobicContact CB-CE2 3.84Å; V1642-F1644 HydrophobicContact CB-CZ 4.39Å; V1642-F1644 HydrophobicContact CG1-CD2 4.18Å; V1642-F1644 HydrophobicContact CG1-CE2 3.78Å; V1642-F1644 HydrophobicContact CG1-CZ 4.02Å; V1642-W1659 HydrophobicContact CB-CH2 4.32Å; V1642-W1659 HydrophobicContact CB-CZ3 4.01Å; V1642-W1659 HydrophobicContact CG2-CH2 3.69Å; V1642-W1659 HydrophobicContact CG2-CZ3 3.76Å; V1642-E1684 WeakPolarHBondContact CA-O 3.36Å; V1642-V1751 WeakPolarHBondContact O-CA 3.49Å; V1642-C1752 PolarHBondContact N-O 2.93Å; V1642-C1752 PolarHBondContact O-N 3.48Å
1643A96.2Very high91.1Very high5 Ų556.1 Ų56.14%0.04127%0.271CS..EExtended strand (participates in β ladder)trans-83.5122.4166.200000110.6L1683 E1684 S1685 S1688 C1689 V1751A1643-L1683 WeakPolarHBondContact CB-O 3.17Å; A1643-E1684 PolarHBondContact N-O 3.14Å; A1643-S1685 WeakPolarHBondContact CB-O 3.26Å; A1643-S1688 WeakPolarHBondContact CB-OG 3.22Å; A1643-C1689 HydrophobicContact CB-CB 4.04Å; A1643-V1751 HydrophobicContact CB-CG2 4.17Å
1644F96.4Very high90.3Very high60 Ų6056.7 Ų56.726%0.26327%0.273SS..EExtended strand (participates in β ladder)trans-97.2150.4166-66.4-92.9000108.9V1642 M1654 P1656 W1659 C1749 S1750 C1752V1642-F1644 HydrophobicContact CB-CD2 4.42Å; V1642-F1644 HydrophobicContact CB-CE2 3.84Å; V1642-F1644 HydrophobicContact CB-CZ 4.39Å; V1642-F1644 HydrophobicContact CG1-CD2 4.18Å; V1642-F1644 HydrophobicContact CG1-CE2 3.78Å; V1642-F1644 HydrophobicContact CG1-CZ 4.02Å; F1644-M1654 HydrophobicContact CB-CE 3.96Å; F1644-M1654 WeakPolarHBondContact O-CE 3.42Å; F1644-P1656 HydrophobicContact CE1-CG 3.77Å; F1644-P1656 HydrophobicContact CE2-CG 4.28Å; F1644-P1656 HydrophobicContact CZ-CG 3.62Å; F1644-W1659 HydrophobicContact CE2-CE3 4.3Å; F1644-W1659 HydrophobicContact CE2-CZ3 4.39Å; F1644-C1749 CarbonylContact O-C 3.51Å; F1644-C1749 WeakPolarHBondContact O-CA 3.12Å; F1644-C1749 VanDerWaalsContact O-CB 3.3Å; F1644-C1749 WeakPolarHBondContact O-CB 3.38Å; F1644-S1750 PolarHBondContact N-O 3.09Å; F1644-S1750 PolarHBondContact O-N 3.23Å; F1644-C1752 HydrophobicContact CD2-CB 4Å; F1644-C1752 HydrophobicContact CE2-CB 3.96Å
1645H95.4Very high90.1Very high41 Ų4157.6 Ų57.619%0.1928%0.28CS..EExtended strand (participates in β ladder)trans-126.3131.6178.8-64.1-75.8000110.3M1654 S1667 L1683 S1688 M1719H1645-M1654 VanDerWaalsContact CA-CE 3.42Å; H1645-S1667 WeakPolarHBondContact ND1-CB 3.48Å; H1645-S1667 PolarHBondContact ND1-OG 3.2Å; H1645-L1683 PolarHBondContact NE2-O 2.79Å; H1645-S1688 PolarHBondContact CE1-OG 3.08Å; H1645-S1688 PolarHBondContact NE2-OG 3.11Å; H1645-M1719 HydrophobicContact CB-CE 4Å; H1645-M1719 HydrophobicContact CB-SD 3.87Å
1646S94Very high89.8Confident24 Ų2459.7 Ų59.717%0.16829%0.293CS..  trans-81.7-23.8-17657.60000113.5R1648 D1650 R1748S1646-R1648 PolarHBondContact O-N 3.32Å; S1646-R1648 PolarHBondContact OG-N 2.95Å; S1646-R1648 VanDerWaalsContact OG-N 3.11Å; S1646-R1648 PolarHBondContact OG-O 3.47Å; S1646-R1648 VanDerWaalsContact OG-O 3.09Å; S1646-D1650 PolarHBondContact OG-O 2.77Å; S1646-R1748 PolarHBondContact N-O 2.79Å; S1646-R1748 PolarHBondContact OG-N 2.64Å; S1646-R1748 PolarHBondContact OG-O 2.99Å
1647Q93.1Very high89.6Confident88 Ų8862.6 Ų62.641%0.41132%0.317SS..SBendtrans51.830.2-160.6-59.7-167.4-97.700112.5M1719 S1721 I1722 S1747Q1647-M1719 HydrophobicContact CG-CG 4.44Å; Q1647-M1719 HydrophobicContact CG-SD 3.61Å; Q1647-S1721 CarbonylContact O-C 3.23Å; Q1647-S1721 WeakPolarHBondContact O-CA 3.36Å; Q1647-I1722 PolarHBondContact O-N 3.45Å; Q1647-S1747 VanDerWaalsContact CA-OG 3.27Å; Q1647-S1747 WeakPolarHBondContact CA-OG 3.37Å; Q1647-S1747 PolarHBondContact N-OG 3.25Å
1648R92Very high89.4Confident116 Ų11664.2 Ų64.244%0.43833%0.334SS..SBendtrans-136.3163.6179.2-61.7173-174.6-179.1-0.5110.6S1646 D1650 S1747 R1748S1646-R1648 PolarHBondContact O-N 3.32Å; S1646-R1648 PolarHBondContact OG-N 2.95Å; S1646-R1648 VanDerWaalsContact OG-N 3.11Å; S1646-R1648 PolarHBondContact OG-O 3.47Å; S1646-R1648 VanDerWaalsContact OG-O 3.09Å; R1648-D1650 VanDerWaalsContact C-N 3.29Å; R1648-D1650 WeakPolarHBondContact CB-OD1 3.27Å; R1648-D1650 VanDerWaalsContact CD-OD1 3.27Å; R1648-D1650 WeakPolarHBondContact CD-OD1 3.26Å; R1648-S1747 CarbonylContact O-C 3.42Å; R1648-S1747 VanDerWaalsContact O-CA 3.31Å; R1648-S1747 WeakPolarHBondContact O-CA 3.45Å; R1648-R1748 PolarHBondContact O-N 2.95Å
1649D89Confident89.6Confident79 Ų7959.1 Ų59.142%0.42232%0.315SS..SBendtrans-77.6-15.8172.955.8-39.1000113.1Q1744 R1748D1649-Q1744 WeakPolarHBondContact CB-O 3.36Å; D1649-R1748 WeakPolarHBondContact O-CD 3.33Å; D1649-R1748 WeakPolarHBondContact O-CG 3.21Å
1650D90Very high89.7Confident73 Ų7361 Ų6139%0.3932%0.324SS..SBendtrans-93.3162.9168.783.1-59.3000113.4S1646 R1648 G1652 R1748S1646-D1650 PolarHBondContact OG-O 2.77Å; R1648-D1650 VanDerWaalsContact C-N 3.29Å; R1648-D1650 WeakPolarHBondContact CB-OD1 3.27Å; R1648-D1650 VanDerWaalsContact CD-OD1 3.27Å; R1648-D1650 WeakPolarHBondContact CD-OD1 3.26Å; D1650-G1652 WeakPolarHBondContact OD2-CA 3.47Å; D1650-G1652 PolarHBondContact OD2-N 3.16Å; D1650-G1652 VanDerWaalsContact OD2-N 3.13Å; D1650-R1748 WeakPolarHBondContact O-CB 3.33Å; D1650-R1748 VanDerWaalsContact O-CG 3.26Å; D1650-R1748 WeakPolarHBondContact O-CG 3.36Å
1651I83.8Confident90Very high51 Ų5158.3 Ų58.326%0.26232%0.319SS..  trans-90.2-37.2173.7-66.3163.1000110.7M1654 N1664 R1748I1651-M1654 HydrophobicContact CG2-SD 4.06Å; I1651-M1654 WeakPolarHBondContact O-CG 3.29Å; I1651-N1664 HydrophobicContact CD1-CB 3.83Å; I1651-R1748 HydrophobicContact CG1-CB 3.79Å; I1651-R1748 HydrophobicContact CG1-CG 4.03Å
1652G79.1Confident90Very high55 Ų5558.8 Ų58.857%0.56733%0.325SS*.  trans52.2-144.2-175.600000113.5D1650D1650-G1652 WeakPolarHBondContact OD2-CA 3.47Å; D1650-G1652 PolarHBondContact OD2-N 3.16Å; D1650-G1652 VanDerWaalsContact OD2-N 3.13Å
1653Q74.7Confident89.9Confident180 Ų18059.2 Ų59.284%0.84133%0.325SS*.SBendtrans-10484.8176-171174.51500110.3
1654M81.6Confident89.9Confident24 Ų2462 Ų6212%0.11834%0.339CS..  trans-94.2-27.5-172-85.7173.981.700116.4F1644 H1645 I1651 P1656 S1750F1644-M1654 HydrophobicContact CB-CE 3.96Å; F1644-M1654 WeakPolarHBondContact O-CE 3.42Å; H1645-M1654 VanDerWaalsContact CA-CE 3.42Å; I1651-M1654 HydrophobicContact CG2-SD 4.06Å; I1651-M1654 WeakPolarHBondContact O-CG 3.29Å; M1654-P1656 WeakPolarHBondContact O-CD 3.45Å; M1654-S1750 VanDerWaalsContact CB-OG 3.31Å; M1654-S1750 WeakPolarHBondContact CB-OG 3.27Å; M1654-S1750 PolarHBondContact SD-OG 3.01Å
1655C93.6Very high89.8Confident20 Ų2059.1 Ų59.114%0.13533%0.327CS..SBendtrans-77.9124.3170.4-60.80000108.4W1659 N1661 C1752C1655-W1659 HydrophobicContact CB-CB 4.08Å; C1655-N1661 PolarHBondContact SG-ND2 3.44Å; C1655-C1752 WeakPolarHBondContact CA-SG 3.07Å; C1655-C1752 HydrophobicContact CB-CB 3.77Å; C1655-C1752 WeakPolarHBondContact CB-SG 3.07Å; C1655-C1752 WeakPolarHBondContact SG-CB 3.45Å; C1655-C1752 CovalentContact SG-SG 2.04Å; C1655-C1752 PolarHBondContact SG-SG 3.06Å
1656P91.1Very high89.9Confident43 Ų4358.2 Ų58.228%0.27932%0.323SS..PPolyproline II helixtrans-61.2158.8178-22.132.9000111.9F1644 M1654 G1658 W1659F1644-P1656 HydrophobicContact CE1-CG 3.77Å; F1644-P1656 HydrophobicContact CE2-CG 4.28Å; F1644-P1656 HydrophobicContact CZ-CG 3.62Å; M1654-P1656 WeakPolarHBondContact O-CD 3.45Å; P1656-G1658 PolarHBondContact O-N 3.02Å; P1656-W1659 HydrophobicContact CB-CG 4.4Å; P1656-W1659 HydrophobicContact CG-CG 4.43Å; P1656-W1659 VanDerWaalsContact O-CB 3.26Å; P1656-W1659 WeakPolarHBondContact O-CB 3.46Å; P1656-W1659 PolarHBondContact O-N 3.39Å
1657P89.2Confident90Very high121 Ų12157.1 Ų57.179%0.78632%0.315SS*.THydrogen-bonded Turntrans-50.8135.1170.4-2735.9000111.7
1658G87.3Confident90.1Very high37 Ų3753 Ų5338%0.38130%0.295SS..THydrogen-bonded Turntrans82.94-171.300000115.2P1656 A1755 S1758P1656-G1658 PolarHBondContact O-N 3.02Å; G1658-A1755 WeakPolarHBondContact O-CB 3.29Å; G1658-A1755 PolarHBondContact O-N 2.74Å; G1658-S1758 PolarHBondContact O-OG 2.99Å
1659W91.4Very high90.2Very high51 Ų5148.7 Ų48.719%0.19328%0.282CS..EExtended strand (participates in β ladder)trans-116.2139.7174.2-63.164.9000111.9W1640 V1642 F1644 C1655 P1656 C1752 R1753 R1754W1640-W1659 HydrophobicContact CD2-CH2 4.23Å; W1640-W1659 AromaticContact CE2-CH2 3.55Å; W1640-W1659 HydrophobicContact CH2-CH2 4.29Å; W1640-W1659 AromaticContact CZ2-CH2 3.6Å; W1640-W1659 HydrophobicContact CZ2-CH2 3.6Å; W1640-W1659 AromaticContact CZ2-CZ2 3.95Å; W1640-W1659 HydrophobicContact CZ2-CZ2 3.95Å; W1640-W1659 AromaticContact NE1-CH2 3.67Å; V1642-W1659 HydrophobicContact CB-CH2 4.32Å; V1642-W1659 HydrophobicContact CB-CZ3 4.01Å; V1642-W1659 HydrophobicContact CG2-CH2 3.69Å; V1642-W1659 HydrophobicContact CG2-CZ3 3.76Å; F1644-W1659 HydrophobicContact CE2-CE3 4.3Å; F1644-W1659 HydrophobicContact CE2-CZ3 4.39Å; C1655-W1659 HydrophobicContact CB-CB 4.08Å; P1656-W1659 HydrophobicContact CB-CG 4.4Å; P1656-W1659 HydrophobicContact CG-CG 4.43Å; P1656-W1659 VanDerWaalsContact O-CB 3.26Å; P1656-W1659 WeakPolarHBondContact O-CB 3.46Å; P1656-W1659 PolarHBondContact O-N 3.39Å; W1659-C1752 HydrophobicContact CB-CB 4.25Å; W1659-C1752 HydrophobicContact CE3-CB 3.88Å; W1659-R1753 CarbonylContact C-O 3.6Å; W1659-R1753 WeakPolarHBondContact CA-O 2.97Å; W1659-R1753 WeakPolarHBondContact CB-O 3.28Å; W1659-R1754 HydrophobicContact CD2-CB 4.09Å; W1659-R1754 HydrophobicContact CE3-CB 4.26Å; W1659-R1754 VanDerWaalsContact CE3-N 3.25Å; W1659-R1754 HydrophobicContact CH2-CB 4.31Å; W1659-R1754 HydrophobicContact CZ2-CB 4.15Å; W1659-R1754 HydrophobicContact CZ3-CB 4.36Å
1660E90.7Very high90.2Very high50 Ų5047.8 Ų47.823%0.23428%0.277CS..EExtended strand (participates in β ladder)trans-98.8152173.867.7-165.9122.300110.8C1752 R1753 A1755E1660-C1752 CarbonylContact O-C 3.58Å; E1660-C1752 VanDerWaalsContact O-CA 3.23Å; E1660-C1752 WeakPolarHBondContact O-CA 3.07Å; E1660-R1753 VanDerWaalsContact CD-NE 3.31Å; E1660-R1753 HydrophobicContact CG-CB 3.93Å; E1660-R1753 PolarHBondContact N-O 2.87Å; E1660-R1753 PolarHBondContact O-N 2.98Å; E1660-R1753 IonicContact OE1-CZ 3.79Å; E1660-R1753 VanDerWaalsContact OE1-CZ 3.29Å; E1660-R1753 IonicContact OE1-NE 3.12Å; E1660-R1753 PolarHBondContact OE1-NE 3.01Å; E1660-R1753 IonicContact OE1-NH2 3.29Å; E1660-R1753 PolarHBondContact OE1-NH2 2.8Å; E1660-R1753 VanDerWaalsContact OE1-NH2 3.12Å; E1660-R1753 IonicContact OE2-CZ 2.82Å; E1660-R1753 IonicContact OE2-NE 2.73Å; E1660-R1753 IonicContact OE2-NH2 3.64Å; E1660-R1753 PolarHBondContact OE2-NH2 3.48Å; E1660-A1755 HydrophobicContact CB-CB 4.41Å; E1660-A1755 WeakPolarHBondContact OE1-CA 3.46Å
1661N93Very high90Very high77 Ų7744.6 Ų44.641%0.41226%0.26SS..EExtended strand (participates in β ladder)trans-84128.6177.7-168.4-92.6000110.7C1655 W1663 N1664C1655-N1661 PolarHBondContact SG-ND2 3.44Å; N1661-W1663 PolarHBondContact OD1-N 2.87Å; N1661-N1664 PolarHBondContact ND2-OD1 3.25Å; N1661-N1664 PolarHBondContact OD1-OD1 3.12Å
1662A93.1Very high90Very high26 Ų2644 Ų4422%0.21526%0.257CS..EExtended strand (participates in β ladder)trans-95.6-42.8174.600000111.8P1545 L1641 V1751P1545-A1662 HydrophobicContact CB-CB 4.21Å; P1545-A1662 HydrophobicContact CG-CB 4.23Å; L1641-A1662 HydrophobicContact CD2-CB 3.97Å; A1662-V1751 HydrophobicContact CB-CG1 4.41Å; A1662-V1751 WeakPolarHBondContact CB-O 2.94Å; A1662-V1751 PolarHBondContact N-O 2.76Å
1663W94.2Very high89.9Confident23 Ų2341.7 Ų41.79%0.08723%0.233CC..EExtended strand (participates in β ladder)trans-163.5165.216565.192000112.1F1532 V1534 P1545 L1641 N1661 P1686 C1689 Q1691 V1751F1532-W1663 HydrophobicContact CD2-CH2 4.1Å; F1532-W1663 HydrophobicContact CD2-CZ3 4.18Å; F1532-W1663 HydrophobicContact CE2-CH2 4.22Å; F1532-W1663 AromaticContact CE2-CZ3 3.84Å; F1532-W1663 HydrophobicContact CE2-CZ3 3.84Å; V1534-W1663 HydrophobicContact CG2-CE3 4.43Å; V1534-W1663 HydrophobicContact CG2-CH2 3.87Å; V1534-W1663 HydrophobicContact CG2-CZ3 3.75Å; P1545-W1663 HydrophobicContact CG-CE3 4.05Å; P1545-W1663 HydrophobicContact CG-CZ3 4.06Å; L1641-W1663 HydrophobicContact CD2-CH2 4.47Å; L1641-W1663 HydrophobicContact CD2-CZ3 3.96Å; N1661-W1663 PolarHBondContact OD1-N 2.87Å; W1663-P1686 HydrophobicContact CH2-CB 3.76Å; W1663-P1686 HydrophobicContact CZ2-CB 3.8Å; W1663-C1689 PolarHBondContact NE1-O 3.44Å; W1663-Q1691 HydrophobicContact CB-CG 4.33Å; W1663-Q1691 HydrophobicContact CG-CG 3.96Å; W1663-V1751 HydrophobicContact CD2-CB 3.84Å; W1663-V1751 HydrophobicContact CD2-CG1 4.47Å; W1663-V1751 HydrophobicContact CD2-CG2 4.01Å; W1663-V1751 HydrophobicContact CE3-CB 4.09Å; W1663-V1751 HydrophobicContact CE3-CG1 4.27Å; W1663-V1751 HydrophobicContact CG-CB 4.39Å; W1663-V1751 HydrophobicContact CG-CG2 4.49Å; W1663-V1751 HydrophobicContact CH2-CB 4.22Å; W1663-V1751 HydrophobicContact CH2-CG1 3.9Å; W1663-V1751 HydrophobicContact CH2-CG2 4.22Å; W1663-V1751 HydrophobicContact CZ2-CB 3.99Å; W1663-V1751 HydrophobicContact CZ2-CG1 4.1Å; W1663-V1751 HydrophobicContact CZ2-CG2 3.56Å; W1663-V1751 HydrophobicContact CZ3-CB 4.24Å; W1663-V1751 HydrophobicContact CZ3-CG1 3.96Å; W1663-V1751 PolarHBondContact N-O 2.82Å; W1663-V1751 PolarHBondContact O-N 3.18Å
1664N95.6Very high89.7Confident63 Ų6334.4 Ų34.434%0.33720%0.202SC..EExtended strand (participates in β ladder)trans-112.2155.7173-62.6-43.4000110.8I1651 N1661 C1749 S1750I1651-N1664 HydrophobicContact CD1-CB 3.83Å; N1661-N1664 PolarHBondContact ND2-OD1 3.25Å; N1661-N1664 PolarHBondContact OD1-OD1 3.12Å; N1664-C1749 WeakPolarHBondContact CA-O 3.45Å; N1664-S1750 PolarHBondContact OD1-OG 3.15Å
1665G95.1Very high89Confident0 Ų034.2 Ų34.20%020%0.203CC..EExtended strand (participates in β ladder)trans-165.9-150.4-174.900000115.1L1690 R1748 C1749G1665-L1690 CarbonylContact C-O 3.59Å; G1665-L1690 WeakPolarHBondContact CA-O 3.42Å; G1665-R1748 PolarHBondContact O-NE 3.38Å; G1665-R1748 PolarHBondContact O-NH2 3.41Å; G1665-C1749 VanDerWaalsContact CA-SG 3.57Å; G1665-C1749 PolarHBondContact N-O 3.04Å; G1665-C1749 PolarHBondContact O-N 3.21Å
1666F96Very high87.9Confident22 Ų2237.8 Ų37.810%0.09623%0.228CC..EExtended strand (participates in β ladder)trans-128.4142.5179.5-60.5-89.9000110.6F1668 L1690 F1693 W1718 L1743 V1746 R1748 C1749F1666-F1668 PolarHBondContact O-N 3.4Å; F1666-L1690 PolarHBondContact N-O 3.29Å; F1666-L1690 PolarHBondContact O-N 3.39Å; F1666-F1693 HydrophobicContact CB-CB 4.43Å; F1666-F1693 HydrophobicContact CD1-CB 4.06Å; F1666-F1693 HydrophobicContact CD2-CB 3.79Å; F1666-F1693 VanDerWaalsContact CD2-N 3.27Å; F1666-F1693 HydrophobicContact CE1-CB 4.21Å; F1666-F1693 HydrophobicContact CE2-CB 3.94Å; F1666-F1693 HydrophobicContact CG-CB 3.83Å; F1666-F1693 HydrophobicContact CZ-CB 4.13Å; F1666-W1718 HydrophobicContact CB-CE3 3.85Å; F1666-W1718 HydrophobicContact CB-CZ3 3.51Å; F1666-L1743 HydrophobicContact CD1-CD2 4.26Å; F1666-L1743 HydrophobicContact CE1-CD2 3.53Å; F1666-L1743 HydrophobicContact CZ-CD2 3.82Å; F1666-V1746 HydrophobicContact CB-CG1 4.01Å; F1666-V1746 HydrophobicContact CD1-CB 4.48Å; F1666-V1746 HydrophobicContact CD1-CG1 3.89Å; F1666-V1746 HydrophobicContact CG-CG1 4.43Å; F1666-R1748 VanDerWaalsContact CZ-CZ 3.46Å; F1666-R1748 VanDerWaalsContact CZ-NH2 3.33Å; F1666-C1749 PolarHBondContact N-SG 2.82Å; F1666-C1749 PolarHBondContact O-SG 3.11Å
1667S96.6Very high87Confident0 Ų037.7 Ų37.70%023%0.225CC..EExtended strand (participates in β ladder)trans-81.2104.8-168.1-53.50000112.5H1645 P1669 W1718 M1719 S1747 R1748H1645-S1667 WeakPolarHBondContact ND1-CB 3.48Å; H1645-S1667 PolarHBondContact ND1-OG 3.2Å; S1667-P1669 WeakPolarHBondContact O-CD 3.11Å; S1667-W1718 CarbonylContact O-C 3.55Å; S1667-W1718 VanDerWaalsContact O-CA 3.24Å; S1667-W1718 WeakPolarHBondContact O-CA 3.31Å; S1667-M1719 PolarHBondContact O-N 2.78Å; S1667-S1747 VanDerWaalsContact CB-O 3.27Å; S1667-S1747 WeakPolarHBondContact CB-O 3.34Å; S1667-S1747 PolarHBondContact N-O 2.81Å; S1667-S1747 VanDerWaalsContact OG-C 3.31Å; S1667-S1747 WeakPolarHBondContact OG-CB 3.5Å; S1667-S1747 PolarHBondContact OG-O 2.99Å; S1667-S1747 PolarHBondContact OG-OG 3.31Å; S1667-S1747 VanDerWaalsContact OG-OG 3.12Å; S1667-R1748 PolarHBondContact OG-O 3.13Å; S1667-R1748 VanDerWaalsContact OG-O 3.04Å
1668F95.5Very high86.4Confident1 Ų132.6 Ų32.60%0.00420%0.195CC..  trans-112.783.8-172.9174.9-114.4000112.1L1571 F1666 M1670 A1671 Q1681 S1688 L1690 P1697 W1718L1571-F1668 HydrophobicContact CD1-CD1 4.19Å; L1571-F1668 HydrophobicContact CD1-CE1 3.77Å; F1666-F1668 PolarHBondContact O-N 3.4Å; F1668-M1670 WeakPolarHBondContact CE2-O 3.47Å; F1668-A1671 HydrophobicContact CE2-CB 4.22Å; F1668-A1671 HydrophobicContact CZ-CB 3.77Å; F1668-Q1681 HydrophobicContact CD1-CG 4.06Å; F1668-Q1681 HydrophobicContact CE1-CG 4.05Å; F1668-S1688 PolarHBondContact N-O 3.39Å; F1668-L1690 HydrophobicContact CB-CD1 3.97Å; F1668-L1690 HydrophobicContact CB-CG 4.08Å; F1668-L1690 HydrophobicContact CD1-CD1 3.52Å; F1668-L1690 HydrophobicContact CD1-CG 3.9Å; F1668-L1690 HydrophobicContact CD2-CD1 4.23Å; F1668-L1690 HydrophobicContact CE1-CD1 4.03Å; F1668-L1690 HydrophobicContact CG-CD1 3.63Å; F1668-L1690 HydrophobicContact CG-CG 4.15Å; F1668-P1697 HydrophobicContact CD2-CG 4.42Å; F1668-P1697 HydrophobicContact CE2-CG 3.8Å; F1668-P1697 HydrophobicContact CZ-CG 4.14Å; F1668-W1718 HydrophobicContact CB-CE3 3.94Å; F1668-W1718 HydrophobicContact CB-CH2 4.1Å; F1668-W1718 HydrophobicContact CB-CZ3 3.67Å; F1668-W1718 HydrophobicContact CD2-CD2 4.45Å; F1668-W1718 HydrophobicContact CD2-CH2 4.24Å; F1668-W1718 HydrophobicContact CD2-CZ2 4.07Å; F1668-W1718 HydrophobicContact CD2-CZ3 4.47Å; F1668-W1718 HydrophobicContact CG-CH2 4.39Å; F1668-W1718 HydrophobicContact CG-CZ3 4.41Å
1669P93.2Very high86Confident26 Ų2631.7 Ų31.717%0.16919%0.185CC..  trans-73.8-26.2177.926.8-36.2000115.4S1667 V1680 Q1681 L1683 Y1717S1667-P1669 WeakPolarHBondContact O-CD 3.11Å; P1669-V1680 CarbonylContact O-C 3.59Å; P1669-V1680 VanDerWaalsContact O-CA 3.26Å; P1669-V1680 WeakPolarHBondContact O-CA 3.19Å; P1669-V1680 WeakPolarHBondContact O-CG1 3.12Å; P1669-Q1681 PolarHBondContact O-N 2.71Å; P1669-L1683 HydrophobicContact CB-CD2 3.99Å; P1669-Y1717 VanDerWaalsContact CD-O 3.29Å; P1669-Y1717 WeakPolarHBondContact CD-O 3.05Å
1670M90.2Very high86Confident61 Ų6133.6 Ų33.630%0.320%0.202SC..EExtended strand (participates in β ladder)trans-160.3143.8-166.9177.4-166-67.900114.9F1668 I1672 G1679 V1680 Y1717F1668-M1670 WeakPolarHBondContact CE2-O 3.47Å; M1670-I1672 HydrophobicContact CG-CG1 4.11Å; M1670-I1672 HydrophobicContact SD-CD1 3.83Å; M1670-I1672 HydrophobicContact SD-CG1 4.04Å; M1670-G1679 WeakPolarHBondContact CA-O 3.24Å; M1670-G1679 WeakPolarHBondContact CG-O 3.42Å; M1670-V1680 HydrophobicContact CE-CG2 4Å; M1670-Y1717 HydrophobicContact CB-CD2 4.4Å; M1670-Y1717 HydrophobicContact CG-CD2 4.12Å; M1670-Y1717 PolarHBondContact O-N 2.69Å; M1670-Y1717 HydrophobicContact SD-CD2 3.87Å; M1670-Y1717 HydrophobicContact SD-CE2 4.21Å; M1670-Y1717 HydrophobicContact SD-CG 4.22Å
1671A84.4Confident86.1Confident5 Ų531.4 Ų31.44%0.04119%0.192CC..EExtended strand (participates in β ladder)trans-124.9143.5166.400000111.5F1668 G1678 G1679 F1698F1668-A1671 HydrophobicContact CE2-CB 4.22Å; F1668-A1671 HydrophobicContact CZ-CB 3.77Å; A1671-G1678 WeakPolarHBondContact O-CA 3.43Å; A1671-G1679 PolarHBondContact N-O 3.26Å; A1671-G1679 PolarHBondContact O-N 2.63Å; A1671-F1698 HydrophobicContact CB-CD1 3.59Å; A1671-F1698 HydrophobicContact CB-CE1 3.4Å; A1671-F1698 HydrophobicContact CB-CZ 4.2Å
1672I84.1Confident86.2Confident40 Ų4030 Ų3021%0.20519%0.187CC..EExtended strand (participates in β ladder)trans-133.6122.7176.2-54.8-174.4000109.2M1670 S1676 F1698 G1714 R1715 Y1717M1670-I1672 HydrophobicContact CG-CG1 4.11Å; M1670-I1672 HydrophobicContact SD-CD1 3.83Å; M1670-I1672 HydrophobicContact SD-CG1 4.04Å; I1672-S1676 VanDerWaalsContact CG2-C 3.49Å; I1672-S1676 WeakPolarHBondContact CG2-O 3.1Å; I1672-F1698 WeakPolarHBondContact O-CZ 3.27Å; I1672-G1714 CarbonylContact O-C 3.52Å; I1672-G1714 WeakPolarHBondContact O-CA 3.14Å; I1672-R1715 PolarHBondContact N-O 2.58Å; I1672-R1715 PolarHBondContact O-N 2.73Å; I1672-Y1717 HydrophobicContact CB-CE2 4.45Å; I1672-Y1717 HydrophobicContact CD1-CD2 4.46Å; I1672-Y1717 HydrophobicContact CD1-CE2 3.63Å; I1672-Y1717 HydrophobicContact CG1-CD2 4.43Å; I1672-Y1717 HydrophobicContact CG1-CE2 3.89Å
1673G78.2Confident86.3Confident5 Ų532.1 Ų32.15%0.05220%0.195CC..  trans-81.4-178.8176.700000114.3S1675 S1676 N1677G1673-S1675 PolarHBondContact O-N 3.28Å; G1673-S1675 VanDerWaalsContact O-N 3.12Å; G1673-S1676 PolarHBondContact O-N 3.29Å; G1673-N1677 PolarHBondContact N-O 3.12Å
1674S69.1Low86.4Confident27 Ų2737.1 Ų37.119%0.18922%0.219CC..THydrogen-bonded Turntrans-57.7-30-173.359.30000114.3R1605 S1676 E1700 D1713R1605-S1674 PolarHBondContact NH1-OG 3.48Å; S1674-S1676 PolarHBondContact O-N 3.38Å; S1674-E1700 WeakPolarHBondContact CB-OE2 3.39Å; S1674-E1700 PolarHBondContact OG-OE1 3.06Å; S1674-E1700 PolarHBondContact OG-OE2 3.21Å; S1674-D1713 WeakPolarHBondContact CA-OD1 3.39Å; S1674-D1713 WeakPolarHBondContact CB-OD1 3.07Å; S1674-D1713 VanDerWaalsContact CB-OD2 3.23Å; S1674-D1713 WeakPolarHBondContact CB-OD2 3.04Å
1675S68.3Low86.4Confident20 Ų2034.6 Ų34.614%0.1421%0.206CC..THydrogen-bonded Turntrans-74.2-1177.740.10000114.8Q1561 Y1607 G1673 N1677Q1561-S1675 PolarHBondContact OE1-OG 3.39Å; Y1607-S1675 PolarHBondContact OH-OG 3.43Å; G1673-S1675 PolarHBondContact O-N 3.28Å; G1673-S1675 VanDerWaalsContact O-N 3.12Å; S1675-N1677 PolarHBondContact O-N 2.73Å; S1675-N1677 WeakPolarHBondContact OG-CB 3.42Å
1676S69.4Low86.4Confident96 Ų9635.2 Ų35.267%0.67121%0.21SC*.SBendtrans647.1-161.6-50.40000114.8I1672 G1673 S1674I1672-S1676 VanDerWaalsContact CG2-C 3.49Å; I1672-S1676 WeakPolarHBondContact CG2-O 3.1Å; G1673-S1676 PolarHBondContact O-N 3.29Å; S1674-S1676 PolarHBondContact O-N 3.38Å
1677N71.5Confident86.4Confident40 Ų4034.3 Ų34.321%0.21421%0.207CC..  trans-92.9156.5172.4-70.61.2000110.9D1564 G1673 S1675D1564-N1677 PolarHBondContact O-ND2 2.95Å; G1673-N1677 PolarHBondContact N-O 3.12Å; S1675-N1677 PolarHBondContact O-N 2.73Å; S1675-N1677 WeakPolarHBondContact OG-CB 3.42Å
1678G77.2Confident86.4Confident15 Ų1534.3 Ų34.316%0.15521%0.207CC..EExtended strand (participates in β ladder)trans165.4-139.7-173.100000111T1568 A1671T1568-G1678 PolarHBondContact OG1-O 3.05Å; A1671-G1678 WeakPolarHBondContact O-CA 3.43Å
1679G80.1Confident86.5Confident17 Ų1734.4 Ų34.418%0.17521%0.208CC..EExtended strand (participates in β ladder)trans175-174.617300000115.2T1568 M1670 A1671T1568-G1679 WeakPolarHBondContact OG1-CA 3.37Å; T1568-G1679 PolarHBondContact OG1-N 3.36Å; M1670-G1679 WeakPolarHBondContact CA-O 3.24Å; M1670-G1679 WeakPolarHBondContact CG-O 3.42Å; A1671-G1679 PolarHBondContact N-O 3.26Å; A1671-G1679 PolarHBondContact O-N 2.63Å
1680V89.8Confident86.6Confident91 Ų9133.5 Ų33.555%0.55220%0.201SC*.EExtended strand (participates in β ladder)trans-116.5145.4-166.6-158.10000109P1669 M1670P1669-V1680 CarbonylContact O-C 3.59Å; P1669-V1680 VanDerWaalsContact O-CA 3.26Å; P1669-V1680 WeakPolarHBondContact O-CA 3.19Å; P1669-V1680 WeakPolarHBondContact O-CG1 3.12Å; M1670-V1680 HydrophobicContact CE-CG2 4Å
1681Q93.5Very high86.8Confident5 Ų533.2 Ų33.22%0.02320%0.199CC..  trans-97.2132.5168.4-56.5-60.2-68.600108.1M1569 L1571 F1668 P1669 L1683M1569-Q1681 PolarHBondContact O-NE2 3.01Å; L1571-Q1681 VanDerWaalsContact CB-OE1 3.25Å; L1571-Q1681 VanDerWaalsContact CG-OE1 3.27Å; F1668-Q1681 HydrophobicContact CD1-CG 4.06Å; F1668-Q1681 HydrophobicContact CE1-CG 4.05Å; P1669-Q1681 PolarHBondContact O-N 2.71Å; Q1681-L1683 PolarHBondContact O-N 2.93Å
1682P95.2Very high87.3Confident46 Ų4636.7 Ų36.730%0.29922%0.215SC..  trans-58133.4169.2-18.631.5000108.8E1684 S1685 S1688P1682-E1684 VanDerWaalsContact C-N 3.28Å; P1682-E1684 HydrophobicContact CB-CG 4.27Å; P1682-E1684 WeakPolarHBondContact CB-OE2 3.21Å; P1682-E1684 PolarHBondContact O-N 2.67Å; P1682-S1685 WeakPolarHBondContact O-CB 3.48Å; P1682-S1685 PolarHBondContact O-N 3.28Å; P1682-S1685 VanDerWaalsContact O-N 3.09Å; P1682-S1688 WeakPolarHBondContact O-CB 3.23Å
1683L95.4Very high87.8Confident72 Ų7236.3 Ų36.338%0.37721%0.212SC..THydrogen-bonded Turntrans-67.2-35-173.7-71.3178.4000111.5A1643 H1645 P1669 Q1681 S1685 S1688 M1719A1643-L1683 WeakPolarHBondContact CB-O 3.17Å; H1645-L1683 PolarHBondContact NE2-O 2.79Å; P1669-L1683 HydrophobicContact CB-CD2 3.99Å; Q1681-L1683 PolarHBondContact O-N 2.93Å; L1683-S1685 PolarHBondContact O-N 3.01Å; L1683-S1688 PolarHBondContact O-OG 3.46Å; L1683-M1719 HydrophobicContact CD1-CE 3.7Å; L1683-M1719 HydrophobicContact CD2-CE 3.43Å; L1683-M1719 VanDerWaalsContact CD2-CE 3.43Å; L1683-M1719 HydrophobicContact CG-CE 4.18Å
1684E95.2Very high88.4Confident127 Ų12737 Ų3759%0.59321%0.212SC*.THydrogen-bonded Turntrans-65.4-21.4173.466.3-86.8-146.200113.9V1642 A1643 P1682V1642-E1684 WeakPolarHBondContact CA-O 3.36Å; A1643-E1684 PolarHBondContact N-O 3.14Å; P1682-E1684 VanDerWaalsContact C-N 3.28Å; P1682-E1684 HydrophobicContact CB-CG 4.27Å; P1682-E1684 WeakPolarHBondContact CB-OE2 3.21Å; P1682-E1684 PolarHBondContact O-N 2.67Å
1685S95.8Very high89.3Confident10 Ų1038.4 Ų38.47%0.0723%0.226CC..SBendtrans-77.1141.1-177.5174.10000111.5D1570 G1572 A1643 P1682 L1683 G1687 S1688D1570-S1685 WeakPolarHBondContact OD1-CB 3.17Å; D1570-S1685 PolarHBondContact OD1-OG 3.12Å; D1570-S1685 VanDerWaalsContact OD2-CB 3.29Å; D1570-S1685 WeakPolarHBondContact OD2-CB 3.1Å; D1570-S1685 PolarHBondContact OD2-OG 2.83Å; G1572-S1685 WeakPolarHBondContact CA-OG 3.11Å; A1643-S1685 WeakPolarHBondContact CB-O 3.26Å; P1682-S1685 WeakPolarHBondContact O-CB 3.48Å; P1682-S1685 PolarHBondContact O-N 3.28Å; P1682-S1685 VanDerWaalsContact O-N 3.09Å; L1683-S1685 PolarHBondContact O-N 3.01Å; S1685-G1687 PolarHBondContact O-N 3.08Å; S1685-G1687 PolarHBondContact OG-N 3.24Å; S1685-G1687 VanDerWaalsContact OG-N 3.1Å; S1685-S1688 WeakPolarHBondContact O-CB 3.43Å; S1685-S1688 PolarHBondContact O-N 2.79Å; S1685-S1688 PolarHBondContact O-OG 3.27Å
1686P96.2Very high90.4Very high14 Ų1438.1 Ų38.19%0.09122%0.223CC..G310 helixtrans-49-23.7166.9-27.735.7000114.6L1641 W1663 S1688 C1689 V1751L1641-P1686 HydrophobicContact CB-CG 3.86Å; W1663-P1686 HydrophobicContact CH2-CB 3.76Å; W1663-P1686 HydrophobicContact CZ2-CB 3.8Å; P1686-S1688 VanDerWaalsContact C-N 3.3Å; P1686-S1688 PolarHBondContact O-N 3.3Å; P1686-C1689 PolarHBondContact O-N 3.13Å; P1686-C1689 VanDerWaalsContact O-N 3.16Å; P1686-V1751 HydrophobicContact CB-CG1 3.96Å; P1686-V1751 HydrophobicContact CB-CG2 4.17Å; P1686-V1751 HydrophobicContact CG-CG1 3.96Å
1687G95.3Very high91.6Very high3 Ų333.5 Ų33.53%0.03119%0.191CC..G310 helixtrans-66.4-23.1176.300000115.6S1685 C1689S1685-G1687 PolarHBondContact O-N 3.08Å; S1685-G1687 PolarHBondContact OG-N 3.24Å; S1685-G1687 VanDerWaalsContact OG-N 3.1Å; G1687-C1689 PolarHBondContact O-N 2.77Å
1688S96.8Very high92.6Very high0 Ų032 Ų320%018%0.183CC..G310 helixtrans-73.4-9.2172.774.70000113.1A1643 H1645 F1668 P1682 L1683 S1685 P1686A1643-S1688 WeakPolarHBondContact CB-OG 3.22Å; H1645-S1688 PolarHBondContact CE1-OG 3.08Å; H1645-S1688 PolarHBondContact NE2-OG 3.11Å; F1668-S1688 PolarHBondContact N-O 3.39Å; P1682-S1688 WeakPolarHBondContact O-CB 3.23Å; L1683-S1688 PolarHBondContact O-OG 3.46Å; S1685-S1688 WeakPolarHBondContact O-CB 3.43Å; S1685-S1688 PolarHBondContact O-N 2.79Å; S1685-S1688 PolarHBondContact O-OG 3.27Å; P1686-S1688 VanDerWaalsContact C-N 3.3Å; P1686-S1688 PolarHBondContact O-N 3.3Å
1689C96.8Very high93.3Very high3 Ų331.3 Ų31.32%0.0218%0.175CC..EExtended strand (participates in β ladder)trans-12077.4-169.9-169.40000112.8A1643 W1663 P1686 G1687 C1749 V1751A1643-C1689 HydrophobicContact CB-CB 4.04Å; W1663-C1689 PolarHBondContact NE1-O 3.44Å; P1686-C1689 PolarHBondContact O-N 3.13Å; P1686-C1689 VanDerWaalsContact O-N 3.16Å; G1687-C1689 PolarHBondContact O-N 2.77Å; C1689-C1749 WeakPolarHBondContact CA-SG 2.93Å; C1689-C1749 HydrophobicContact CB-CB 3.76Å; C1689-C1749 WeakPolarHBondContact CB-SG 3.23Å; C1689-C1749 VanDerWaalsContact SG-C 3.52Å; C1689-C1749 WeakPolarHBondContact SG-CB 3.08Å; C1689-C1749 CovalentContact SG-SG 2.03Å; C1689-C1749 PolarHBondContact SG-SG 3.32Å; C1689-V1751 HydrophobicContact CB-CG2 3.51Å
1690L96.1Very high93.8Very high6 Ų630.9 Ų30.93%0.03117%0.168CC..EExtended strand (participates in β ladder)trans-72.4129.4176.2-69.9-178.2000111L1571 L1609 G1665 F1666 F1668 H1692 P1697 W1718L1571-L1690 HydrophobicContact CD1-CD2 4.27Å; L1609-L1690 HydrophobicContact CD1-CD1 4.24Å; L1609-L1690 HydrophobicContact CD1-CD2 4.42Å; L1609-L1690 HydrophobicContact CD2-CD2 3.91Å; G1665-L1690 CarbonylContact C-O 3.59Å; G1665-L1690 WeakPolarHBondContact CA-O 3.42Å; F1666-L1690 PolarHBondContact N-O 3.29Å; F1666-L1690 PolarHBondContact O-N 3.39Å; F1668-L1690 HydrophobicContact CB-CD1 3.97Å; F1668-L1690 HydrophobicContact CB-CG 4.08Å; F1668-L1690 HydrophobicContact CD1-CD1 3.52Å; F1668-L1690 HydrophobicContact CD1-CG 3.9Å; F1668-L1690 HydrophobicContact CD2-CD1 4.23Å; F1668-L1690 HydrophobicContact CE1-CD1 4.03Å; F1668-L1690 HydrophobicContact CG-CD1 3.63Å; F1668-L1690 HydrophobicContact CG-CG 4.15Å; L1690-H1692 PolarHBondContact O-N 2.88Å; L1690-P1697 HydrophobicContact CD1-CB 4.26Å; L1690-W1718 HydrophobicContact CB-CH2 4.27Å; L1690-W1718 HydrophobicContact CB-CZ3 4.39Å; L1690-W1718 HydrophobicContact CD1-CH2 3.88Å
1691Q94.6Very high93.8Very high55 Ų5526.5 Ų26.526%0.25714%0.142SC..SBendtrans-61.7-32.1-178.5-68.7178.78.100112.4W1663W1663-Q1691 HydrophobicContact CB-CG 4.33Å; W1663-Q1691 HydrophobicContact CG-CG 3.96Å
1692H94.7Very high93.5Very high79 Ų7927.9 Ų27.937%0.36615%0.149SC..SBendtrans-123127.6-178.3-56.4-59.6000112.3Q1537 L1612 L1690Q1537-H1692 PolarHBondContact NE2-O 2.98Å; Q1537-H1692 PolarHBondContact OE1-O 3.08Å; L1612-H1692 HydrophobicContact CD1-CB 3.99Å; L1612-H1692 HydrophobicContact CD2-CB 3.92Å; L1612-H1692 HydrophobicContact CG-CB 4.44Å; L1690-H1692 PolarHBondContact O-N 2.88Å
1693F93.8Very high92.5Very high31 Ų3126.6 Ų26.614%0.13614%0.14CC..  trans-66.9136.2171.1176.1-96.4000110.8F1666 A1695 W1718 I1742 L1743 V1746F1666-F1693 HydrophobicContact CB-CB 4.43Å; F1666-F1693 HydrophobicContact CD1-CB 4.06Å; F1666-F1693 HydrophobicContact CD2-CB 3.79Å; F1666-F1693 VanDerWaalsContact CD2-N 3.27Å; F1666-F1693 HydrophobicContact CE1-CB 4.21Å; F1666-F1693 HydrophobicContact CE2-CB 3.94Å; F1666-F1693 HydrophobicContact CG-CB 3.83Å; F1666-F1693 HydrophobicContact CZ-CB 4.13Å; F1693-A1695 HydrophobicContact CZ-CB 4.43Å; F1693-W1718 AromaticContact CD2-CD2 3.71Å; F1693-W1718 HydrophobicContact CD2-CD2 3.71Å; F1693-W1718 AromaticContact CD2-CE2 3.65Å; F1693-W1718 AromaticContact CD2-CE3 3.93Å; F1693-W1718 HydrophobicContact CD2-CE3 3.93Å; F1693-W1718 HydrophobicContact CD2-CG 4.3Å; F1693-W1718 HydrophobicContact CD2-CH2 4.06Å; F1693-W1718 AromaticContact CD2-CZ2 3.84Å; F1693-W1718 HydrophobicContact CD2-CZ2 3.84Å; F1693-W1718 HydrophobicContact CD2-CZ3 4.1Å; F1693-W1718 AromaticContact CE2-CD1 3.7Å; F1693-W1718 AromaticContact CE2-CD2 3.65Å; F1693-W1718 HydrophobicContact CE2-CD2 3.65Å; F1693-W1718 AromaticContact CE2-CE2 3.49Å; F1693-W1718 VanDerWaalsContact CE2-CE2 3.49Å; F1693-W1718 HydrophobicContact CE2-CE3 4.34Å; F1693-W1718 AromaticContact CE2-CG 3.81Å; F1693-W1718 HydrophobicContact CE2-CG 3.81Å; F1693-W1718 HydrophobicContact CE2-CZ2 4.06Å; F1693-W1718 AromaticContact CE2-NE1 3.51Å; F1693-I1742 HydrophobicContact CE1-CG2 3.7Å; F1693-I1742 HydrophobicContact CE2-CG2 4.07Å; F1693-I1742 HydrophobicContact CZ-CG2 3.38Å; F1693-L1743 HydrophobicContact CB-CD2 3.6Å; F1693-L1743 HydrophobicContact CD1-CD2 3.75Å; F1693-L1743 HydrophobicContact CD2-CD2 4.5Å; F1693-L1743 HydrophobicContact CG-CD2 3.68Å; F1693-V1746 HydrophobicContact CD2-CG1 4.4Å; F1693-V1746 HydrophobicContact CD2-CG2 4.16Å; F1693-V1746 HydrophobicContact CE2-CG2 3.88Å
1694R91.4Very high91.2Very high19 Ų1930.6 Ų30.67%0.07216%0.157CC..  trans-151.5124.5170.4-176174.7174.3109.2-10.2109.8S1610 T1611 L1612 E1613 Y1615 L1696 P1697 W1718S1610-R1694 PolarHBondContact OG-NE 3.22Å; T1611-R1694 PolarHBondContact O-NE 3.42Å; T1611-R1694 PolarHBondContact O-NH1 3.03Å; T1611-R1694 VanDerWaalsContact O-NH1 3.12Å; L1612-R1694 PolarHBondContact O-NH1 3.49Å; L1612-R1694 VanDerWaalsContact O-NH1 3.09Å; E1613-R1694 VanDerWaalsContact O-CZ 3.29Å; E1613-R1694 PolarHBondContact O-NH1 3.23Å; E1613-R1694 PolarHBondContact O-NH2 3.32Å; Y1615-R1694 VanDerWaalsContact CE1-NH2 3.31Å; Y1615-R1694 VanDerWaalsContact OH-CG 3.28Å; Y1615-R1694 WeakPolarHBondContact OH-CG 3.5Å; R1694-L1696 PolarHBondContact NE-O 3.12Å; R1694-L1696 PolarHBondContact O-N 3.28Å; R1694-L1696 VanDerWaalsContact O-N 3.08Å; R1694-P1697 HydrophobicContact CB-CB 4.19Å; R1694-P1697 VanDerWaalsContact O-CD 3.29Å; R1694-P1697 WeakPolarHBondContact O-CD 3.16Å; R1694-W1718 WeakPolarHBondContact O-CZ2 3.17Å
1695A89.2Confident89.9Confident58 Ų5829.6 Ų29.648%0.47916%0.156SC..SBendtrans-57.7-27.5-174.300000114.6F1693 S1716F1693-A1695 HydrophobicContact CZ-CB 4.43Å; A1695-S1716 PolarHBondContact O-OG 3.18Å
1696L91.2Very high89.1Confident13 Ų1330 Ų307%0.06816%0.162CC..SBendtrans-132.892.5165.1-175.566.6000108.1I227 Y1615 R1694 F1698 H1710 W1711I227-L1696 HydrophobicContact CD1-CD2 4.32Å; Y1615-L1696 HydrophobicContact CE1-CB 3.88Å; Y1615-L1696 PolarHBondContact OH-N 3.09Å; R1694-L1696 PolarHBondContact NE-O 3.12Å; R1694-L1696 PolarHBondContact O-N 3.28Å; R1694-L1696 VanDerWaalsContact O-N 3.08Å; L1696-F1698 HydrophobicContact CD1-CD1 4.18Å; L1696-F1698 HydrophobicContact CD1-CD2 4.33Å; L1696-F1698 HydrophobicContact CD1-CE1 3.6Å; L1696-F1698 HydrophobicContact CD1-CE2 3.79Å; L1696-F1698 HydrophobicContact CD1-CZ 3.38Å; L1696-F1698 PolarHBondContact O-N 3.39Å; L1696-H1710 HydrophobicContact CD2-CB 4Å; L1696-W1711 WeakPolarHBondContact CD2-O 3.47Å
1697P93.3Very high88.7Confident0 Ų031.1 Ų31.10%017%0.166CC..  trans-858.7-170.835.7-34.2000113L1609 S1610 F1668 L1690 R1694 S1716 W1718L1609-P1697 CarbonylContact C-O 3.59Å; L1609-P1697 WeakPolarHBondContact CA-O 3.49Å; L1609-P1697 HydrophobicContact CD1-CB 4.4Å; L1609-P1697 VanDerWaalsContact CD1-O 3.28Å; L1609-P1697 WeakPolarHBondContact CD1-O 3.23Å; L1609-P1697 WeakPolarHBondContact CG-O 3.49Å; S1610-P1697 PolarHBondContact N-O 3.01Å; F1668-P1697 HydrophobicContact CD2-CG 4.42Å; F1668-P1697 HydrophobicContact CE2-CG 3.8Å; F1668-P1697 HydrophobicContact CZ-CG 4.14Å; L1690-P1697 HydrophobicContact CD1-CB 4.26Å; R1694-P1697 HydrophobicContact CB-CB 4.19Å; R1694-P1697 VanDerWaalsContact O-CD 3.29Å; R1694-P1697 WeakPolarHBondContact O-CD 3.16Å; P1697-S1716 VanDerWaalsContact CD-CB 3.43Å; P1697-W1718 HydrophobicContact CB-CZ2 4.46Å; P1697-W1718 HydrophobicContact CG-CZ2 4.2Å
1698F92.4Very high88.6Confident9 Ų931 Ų314%0.03917%0.165CC..EExtended strand (participates in β ladder)trans-137.5161.5-178.862.7-93.4000111.5V1558 Y1607 W1608 A1671 I1672 L1696 H1710 R1715V1558-F1698 HydrophobicContact CG2-CB 4.36Å; Y1607-F1698 HydrophobicContact CD1-CD2 4.06Å; Y1607-F1698 HydrophobicContact CD1-CE2 4.2Å; W1608-F1698 CarbonylContact O-C 3.47Å; W1608-F1698 WeakPolarHBondContact O-CA 3.48Å; W1608-F1698 VanDerWaalsContact O-CB 3.29Å; W1608-F1698 WeakPolarHBondContact O-CB 3.39Å; A1671-F1698 HydrophobicContact CB-CD1 3.59Å; A1671-F1698 HydrophobicContact CB-CE1 3.4Å; A1671-F1698 HydrophobicContact CB-CZ 4.2Å; I1672-F1698 WeakPolarHBondContact O-CZ 3.27Å; L1696-F1698 HydrophobicContact CD1-CD1 4.18Å; L1696-F1698 HydrophobicContact CD1-CD2 4.33Å; L1696-F1698 HydrophobicContact CD1-CE1 3.6Å; L1696-F1698 HydrophobicContact CD1-CE2 3.79Å; L1696-F1698 HydrophobicContact CD1-CZ 3.38Å; L1696-F1698 PolarHBondContact O-N 3.39Å; F1698-H1710 PolarHBondContact O-CD2 3.26Å; F1698-H1710 PolarHBondContact O-NE2 2.96Å; F1698-R1715 WeakPolarHBondContact CE1-O 3.27Å
1699I91.9Very high88.3Confident0 Ų031.8 Ų31.80%017%0.169CC..EExtended strand (participates in β ladder)trans-128.4138179.9-173.6176.5000109.7Y1607 W1608 M1616 I1625 I1629 C1708 F1709Y1607-I1699 WeakPolarHBondContact CA-O 3.26Å; W1608-I1699 HydrophobicContact CB-CG2 4.11Å; W1608-I1699 PolarHBondContact N-O 3.01Å; W1608-I1699 PolarHBondContact O-N 2.76Å; M1616-I1699 HydrophobicContact CE-CD1 3.66Å; I1625-I1699 HydrophobicContact CD1-CD1 3.76Å; I1625-I1699 HydrophobicContact CG1-CD1 4.3Å; I1629-I1699 HydrophobicContact CD1-CG2 3.72Å; I1699-C1708 HydrophobicContact CD1-CB 3.88Å; I1699-C1708 HydrophobicContact CG1-CB 4.19Å; I1699-F1709 WeakPolarHBondContact CG1-O 3.49Å
1700E91.3Very high88Confident7 Ų731.7 Ų31.73%0.03317%0.168CC..EExtended strand (participates in β ladder)trans-92.6128.7178.5-175.6179.5125.700109.9R1605 Y1607 S1674 N1702 C1708 F1709 W1711R1605-E1700 IonicContact CZ-OE1 3.48Å; R1605-E1700 IonicContact NE-OE1 3.74Å; R1605-E1700 IonicContact NH1-OE1 3.88Å; R1605-E1700 IonicContact NH1-OE2 3.4Å; Y1607-E1700 HydrophobicContact CD1-CB 3.85Å; Y1607-E1700 HydrophobicContact CD1-CG 4Å; Y1607-E1700 HydrophobicContact CE1-CB 3.67Å; Y1607-E1700 HydrophobicContact CE1-CG 3.46Å; Y1607-E1700 VanDerWaalsContact CE1-CG 3.46Å; Y1607-E1700 VanDerWaalsContact CE1-OE2 3.22Å; Y1607-E1700 WeakPolarHBondContact CE1-OE2 3.47Å; Y1607-E1700 PolarHBondContact OH-OE2 3.43Å; S1674-E1700 WeakPolarHBondContact CB-OE2 3.39Å; S1674-E1700 PolarHBondContact OG-OE1 3.06Å; S1674-E1700 PolarHBondContact OG-OE2 3.21Å; E1700-N1702 PolarHBondContact OE1-ND2 2.75Å; E1700-N1702 PolarHBondContact OE1-OD1 2.79Å; E1700-C1708 CarbonylContact O-C 3.54Å; E1700-C1708 WeakPolarHBondContact O-CA 3.44Å; E1700-C1708 WeakPolarHBondContact O-CB 3.11Å; E1700-F1709 PolarHBondContact N-O 3.31Å; E1700-F1709 PolarHBondContact O-N 3.27Å; E1700-W1711 PolarHBondContact OE1-NE1 2.82Å; E1700-W1711 VanDerWaalsContact OE1-NE1 3.12Å
1701C90.7Very high87.6Confident0 Ų035.9 Ų35.90%018%0.183CC..EExtended strand (participates in β ladder)trans-110.6120.5173.4-70.60000110I1583 R1605 S1606 C1708I1583-C1701 HydrophobicContact CB-CB 4.18Å; I1583-C1701 HydrophobicContact CG2-CB 4.25Å; R1605-C1701 WeakPolarHBondContact CA-O 3.48Å; S1606-C1701 PolarHBondContact N-O 3.18Å; S1606-C1701 WeakPolarHBondContact O-CB 3.41Å; S1606-C1701 PolarHBondContact O-N 2.82Å; C1701-C1708 VanDerWaalsContact CA-SG 3.57Å; C1701-C1708 HydrophobicContact CB-CB 4Å; C1701-C1708 WeakPolarHBondContact CB-SG 3.26Å; C1701-C1708 WeakPolarHBondContact SG-CB 3.26Å; C1701-C1708 CovalentContact SG-SG 2.04Å; C1701-C1708 PolarHBondContact SG-SG 3.4Å
1702N86.1Confident87.1Confident33 Ų3338.7 Ų38.718%0.17620%0.196CC..EExtended strand (participates in β ladder)trans-111.6128.2-176.8-78.9-27.9000111.5R1605 E1700 H1704 N1707R1605-N1702 WeakPolarHBondContact CB-OD1 3.19Å; R1605-N1702 WeakPolarHBondContact CD-OD1 3.14Å; R1605-N1702 WeakPolarHBondContact CG-OD1 3.27Å; R1605-N1702 PolarHBondContact NE-OD1 3.22Å; E1700-N1702 PolarHBondContact OE1-ND2 2.75Å; E1700-N1702 PolarHBondContact OE1-OD1 2.79Å; N1702-H1704 PolarHBondContact O-N 3.47Å; N1702-N1707 PolarHBondContact N-O 3.44Å; N1702-N1707 PolarHBondContact O-N 3.34Å
1703N75.1Confident86.6Confident20 Ų2038.9 Ų38.911%0.10720%0.2CC..G310 helixtrans-67.2-31.2-174.1170.173.9000114.2M1584 N1600 D1705 G1706M1584-N1703 HydrophobicContact CE-CB 3.84Å; N1600-N1703 WeakPolarHBondContact CA-ND2 3.26Å; N1600-N1703 VanDerWaalsContact CA-OD1 3.24Å; N1600-N1703 WeakPolarHBondContact CA-OD1 3.35Å; N1600-N1703 WeakPolarHBondContact CB-OD1 2.94Å; N1600-N1703 PolarHBondContact ND2-OD1 2.89Å; N1600-N1703 PolarHBondContact O-ND2 3.14Å; N1600-N1703 PolarHBondContact OD1-OD1 3.07Å; N1703-D1705 VanDerWaalsContact C-N 3.29Å; N1703-D1705 PolarHBondContact O-N 2.69Å; N1703-G1706 PolarHBondContact O-N 2.69Å
1704H67.2Low86.1Confident155 Ų15538 Ų3872%0.71820%0.201SC*.G310 helixtrans-57.6-38.1-170.1-166.7-78.8000113.8N1702N1702-H1704 PolarHBondContact O-N 3.47Å
1705D68.1Low85.9Confident107 Ų10744.7 Ų44.757%0.57223%0.226SC*.G310 helixtrans-117.33.8-175.1-52.4-26.9000113.5N1703 N1707N1703-D1705 VanDerWaalsContact C-N 3.29Å; N1703-D1705 PolarHBondContact O-N 2.69Å; D1705-N1707 HydrophobicContact CB-CB 4.31Å; D1705-N1707 VanDerWaalsContact CB-ND2 3.26Å; D1705-N1707 WeakPolarHBondContact CB-ND2 3.33Å; D1705-N1707 PolarHBondContact O-N 3.49Å
1706G79.3Confident86Confident19 Ų1943 Ų4320%0.19621%0.21CC..THydrogen-bonded Turntrans69.118-173.100000114.9R1621 V1622 N1703R1621-G1706 WeakPolarHBondContact CA-O 3.29Å; V1622-G1706 PolarHBondContact N-O 3.44Å; N1703-G1706 PolarHBondContact O-N 2.69Å
1707N88Confident86Confident36 Ų3647.1 Ų47.119%0.19323%0.225CC..EExtended strand (participates in β ladder)trans-110148.8-167.6-72.1-36000112.8P1619 A1620 R1621 N1702 D1705P1619-N1707 HydrophobicContact CB-CB 4.09Å; A1620-N1707 CarbonylContact O-C 3.33Å; A1620-N1707 WeakPolarHBondContact O-CA 3.4Å; R1621-N1707 WeakPolarHBondContact CA-OD1 3.37Å; R1621-N1707 VanDerWaalsContact CG-OD1 3.27Å; R1621-N1707 WeakPolarHBondContact CG-OD1 3.4Å; R1621-N1707 PolarHBondContact N-OD1 2.88Å; N1702-N1707 PolarHBondContact N-O 3.44Å; N1702-N1707 PolarHBondContact O-N 3.34Å; D1705-N1707 HydrophobicContact CB-CB 4.31Å; D1705-N1707 VanDerWaalsContact CB-ND2 3.26Å; D1705-N1707 WeakPolarHBondContact CB-ND2 3.33Å; D1705-N1707 PolarHBondContact O-N 3.49Å
1708C92.2Very high86.1Confident1 Ų149.1 Ų49.11%0.00723%0.233CC..EExtended strand (participates in β ladder)trans-117.5152.6163.2-480000111M1616 P1619 A1620 I1625 I1699 E1700 C1701M1616-C1708 WeakPolarHBondContact CE-O 3.33Å; P1619-C1708 WeakPolarHBondContact CA-O 3.49Å; A1620-C1708 PolarHBondContact N-O 2.89Å; A1620-C1708 PolarHBondContact O-N 3.42Å; I1625-C1708 HydrophobicContact CD1-CB 3.69Å; I1625-C1708 HydrophobicContact CG1-CB 3.84Å; I1699-C1708 HydrophobicContact CD1-CB 3.88Å; I1699-C1708 HydrophobicContact CG1-CB 4.19Å; E1700-C1708 CarbonylContact O-C 3.54Å; E1700-C1708 WeakPolarHBondContact O-CA 3.44Å; E1700-C1708 WeakPolarHBondContact O-CB 3.11Å; C1701-C1708 VanDerWaalsContact CA-SG 3.57Å; C1701-C1708 HydrophobicContact CB-CB 4Å; C1701-C1708 WeakPolarHBondContact CB-SG 3.26Å; C1701-C1708 WeakPolarHBondContact SG-CB 3.26Å; C1701-C1708 CovalentContact SG-SG 2.04Å; C1701-C1708 PolarHBondContact SG-SG 3.4Å
1709F92Very high86.2Confident17 Ų1750.2 Ų50.28%0.07524%0.239CC..EExtended strand (participates in β ladder)trans-156.8155178.6-164.1-129.8000113.2M1616 S1618 P1619 I1699 E1700 W1711M1616-F1709 HydrophobicContact CB-CD2 4.05Å; M1616-F1709 HydrophobicContact CB-CE2 4.03Å; M1616-F1709 HydrophobicContact CE-CD2 4.13Å; M1616-F1709 WeakPolarHBondContact O-CE2 3.29Å; S1618-F1709 WeakPolarHBondContact O-CD2 3.11Å; P1619-F1709 HydrophobicContact CB-CB 4.1Å; P1619-F1709 HydrophobicContact CB-CD2 4.36Å; P1619-F1709 HydrophobicContact CB-CG 4.27Å; P1619-F1709 HydrophobicContact CG-CB 4.07Å; P1619-F1709 HydrophobicContact CG-CD1 4.14Å; P1619-F1709 HydrophobicContact CG-CD2 4.07Å; P1619-F1709 HydrophobicContact CG-CG 3.84Å; P1619-F1709 VanDerWaalsContact N-CD2 3.31Å; I1699-F1709 WeakPolarHBondContact CG1-O 3.49Å; E1700-F1709 PolarHBondContact N-O 3.31Å; E1700-F1709 PolarHBondContact O-N 3.27Å; F1709-W1711 HydrophobicContact CB-CD2 4.44Å; F1709-W1711 HydrophobicContact CB-CZ2 4.17Å; F1709-W1711 AromaticContact CD1-CD2 3.68Å; F1709-W1711 HydrophobicContact CD1-CD2 3.68Å; F1709-W1711 AromaticContact CD1-CE3 3.56Å; F1709-W1711 HydrophobicContact CD1-CE3 3.56Å; F1709-W1711 HydrophobicContact CD1-CG 4.27Å; F1709-W1711 HydrophobicContact CD1-CH2 4.12Å; F1709-W1711 HydrophobicContact CD1-CZ2 4.25Å; F1709-W1711 AromaticContact CD1-CZ3 3.79Å; F1709-W1711 HydrophobicContact CD1-CZ3 3.79Å; F1709-W1711 HydrophobicContact CE1-CE3 4.05Å; F1709-W1711 HydrophobicContact CE1-CZ3 4.25Å
1710H90.1Very high86.2Confident1 Ų152.9 Ų52.91%0.00526%0.257CS..  trans-87105.2164.8-69.5102.7000107.7I227 S1610 Y1615 Y1628 L1696 F1698I227-H1710 HydrophobicContact CD1-CB 4.02Å; I227-H1710 WeakPolarHBondContact CD1-O 3.19Å; S1610-H1710 WeakPolarHBondContact CB-NE2 2.43Å; S1610-H1710 PolarHBondContact OG-NE2 3.02Å; Y1615-H1710 HydrophobicContact CD1-CB 4.26Å; Y1615-H1710 AromaticContact CD1-CD2 3.8Å; Y1615-H1710 AromaticContact CD1-CG 3.82Å; Y1628-H1710 AromaticContact CD1-CE1 3.74Å; L1696-H1710 HydrophobicContact CD2-CB 4Å; F1698-H1710 PolarHBondContact O-CD2 3.26Å; F1698-H1710 PolarHBondContact O-NE2 2.96Å
1711W87.6Confident86.3Confident93 Ų9353.4 Ų53.435%0.35226%0.262SS..  trans-86.3151.7177.8-58.2107.1000112.3P1619 L1696 E1700 F1709 D1713P1619-W1711 HydrophobicContact CG-CH2 4.41Å; L1696-W1711 WeakPolarHBondContact CD2-O 3.47Å; E1700-W1711 PolarHBondContact OE1-NE1 2.82Å; E1700-W1711 VanDerWaalsContact OE1-NE1 3.12Å; F1709-W1711 HydrophobicContact CB-CD2 4.44Å; F1709-W1711 HydrophobicContact CB-CZ2 4.17Å; F1709-W1711 AromaticContact CD1-CD2 3.68Å; F1709-W1711 HydrophobicContact CD1-CD2 3.68Å; F1709-W1711 AromaticContact CD1-CE3 3.56Å; F1709-W1711 HydrophobicContact CD1-CE3 3.56Å; F1709-W1711 HydrophobicContact CD1-CG 4.27Å; F1709-W1711 HydrophobicContact CD1-CH2 4.12Å; F1709-W1711 HydrophobicContact CD1-CZ2 4.25Å; F1709-W1711 AromaticContact CD1-CZ3 3.79Å; F1709-W1711 HydrophobicContact CD1-CZ3 3.79Å; F1709-W1711 HydrophobicContact CE1-CE3 4.05Å; F1709-W1711 HydrophobicContact CE1-CZ3 4.25Å; W1711-D1713 VanDerWaalsContact C-N 3.33Å; W1711-D1713 WeakPolarHBondContact CB-OD1 3.2Å; W1711-D1713 PolarHBondContact O-N 3.48Å
1712Q83.7Confident86.2Confident114 Ų11455.9 Ų55.953%0.53327%0.274SS..SBendtrans-80.1-14.1-171.3-47.8-152.9-78.400114.6I225 I227I225-Q1712 VanDerWaalsContact CG2-NE2 3.31Å; I227-Q1712 HydrophobicContact CD1-CB 4.48Å; I227-Q1712 HydrophobicContact CD1-CG 4.02Å; I227-Q1712 HydrophobicContact CG1-CG 3.91Å
1713D84.2Confident86.3Confident83 Ų8362.3 Ų62.344%0.44430%0.296SS..SBendtrans-89.4-21.7178.245.515.5000112.5S1674 W1711S1674-D1713 WeakPolarHBondContact CA-OD1 3.39Å; S1674-D1713 WeakPolarHBondContact CB-OD1 3.07Å; S1674-D1713 VanDerWaalsContact CB-OD2 3.23Å; S1674-D1713 WeakPolarHBondContact CB-OD2 3.04Å; W1711-D1713 VanDerWaalsContact C-N 3.33Å; W1711-D1713 WeakPolarHBondContact CB-OD1 3.2Å; W1711-D1713 PolarHBondContact O-N 3.48Å
1714G83.4Confident86.8Confident14 Ų1467.5 Ų67.514%0.14432%0.32CS..  trans-58.6136.9170.200000112.2I1672I1672-G1714 CarbonylContact O-C 3.52Å; I1672-G1714 WeakPolarHBondContact O-CA 3.14Å
1715R87.4Confident87.8Confident159 Ų15965.7 Ų65.760%0.632%0.315SS*.EExtended strand (participates in β ladder)trans-131.2139.9-177.6-62.8-178.1-175-130.2-3.9111.3I1672 F1698 Y1717I1672-R1715 PolarHBondContact N-O 2.58Å; I1672-R1715 PolarHBondContact O-N 2.73Å; F1698-R1715 WeakPolarHBondContact CE1-O 3.27Å; R1715-Y1717 HydrophobicContact CB-CE2 3.83Å
1716S90Very high88.8Confident21 Ų2164.4 Ų64.415%0.14731%0.306CS..EExtended strand (participates in β ladder)trans-104.2150159.363.30000110.1A1695 P1697 W1718A1695-S1716 PolarHBondContact O-OG 3.18Å; P1697-S1716 VanDerWaalsContact CD-CB 3.43Å; S1716-W1718 PolarHBondContact OG-NE1 2.87Å
1717Y93Very high89.2Confident100 Ų10067.7 Ų67.739%0.39232%0.316SS..EExtended strand (participates in β ladder)trans-119.1135173.5-65.4-101.8000107.8P1669 M1670 I1672 R1715P1669-Y1717 VanDerWaalsContact CD-O 3.29Å; P1669-Y1717 WeakPolarHBondContact CD-O 3.05Å; M1670-Y1717 HydrophobicContact CB-CD2 4.4Å; M1670-Y1717 HydrophobicContact CG-CD2 4.12Å; M1670-Y1717 PolarHBondContact O-N 2.69Å; M1670-Y1717 HydrophobicContact SD-CD2 3.87Å; M1670-Y1717 HydrophobicContact SD-CE2 4.21Å; M1670-Y1717 HydrophobicContact SD-CG 4.22Å; I1672-Y1717 HydrophobicContact CB-CE2 4.45Å; I1672-Y1717 HydrophobicContact CD1-CD2 4.46Å; I1672-Y1717 HydrophobicContact CD1-CE2 3.63Å; I1672-Y1717 HydrophobicContact CG1-CD2 4.43Å; I1672-Y1717 HydrophobicContact CG1-CE2 3.89Å; R1715-Y1717 HydrophobicContact CB-CE2 3.83Å
1718W94.6Very high89.5Confident42 Ų4275.4 Ų75.416%0.15935%0.348CS..  trans-123.5140.7-179.2-60.181.6000107.9F1666 S1667 F1668 L1690 F1693 R1694 P1697 S1716 V1746F1666-W1718 HydrophobicContact CB-CE3 3.85Å; F1666-W1718 HydrophobicContact CB-CZ3 3.51Å; S1667-W1718 CarbonylContact O-C 3.55Å; S1667-W1718 VanDerWaalsContact O-CA 3.24Å; S1667-W1718 WeakPolarHBondContact O-CA 3.31Å; F1668-W1718 HydrophobicContact CB-CE3 3.94Å; F1668-W1718 HydrophobicContact CB-CH2 4.1Å; F1668-W1718 HydrophobicContact CB-CZ3 3.67Å; F1668-W1718 HydrophobicContact CD2-CD2 4.45Å; F1668-W1718 HydrophobicContact CD2-CH2 4.24Å; F1668-W1718 HydrophobicContact CD2-CZ2 4.07Å; F1668-W1718 HydrophobicContact CD2-CZ3 4.47Å; F1668-W1718 HydrophobicContact CG-CH2 4.39Å; F1668-W1718 HydrophobicContact CG-CZ3 4.41Å; L1690-W1718 HydrophobicContact CB-CH2 4.27Å; L1690-W1718 HydrophobicContact CB-CZ3 4.39Å; L1690-W1718 HydrophobicContact CD1-CH2 3.88Å; F1693-W1718 AromaticContact CD2-CD2 3.71Å; F1693-W1718 HydrophobicContact CD2-CD2 3.71Å; F1693-W1718 AromaticContact CD2-CE2 3.65Å; F1693-W1718 AromaticContact CD2-CE3 3.93Å; F1693-W1718 HydrophobicContact CD2-CE3 3.93Å; F1693-W1718 HydrophobicContact CD2-CG 4.3Å; F1693-W1718 HydrophobicContact CD2-CH2 4.06Å; F1693-W1718 AromaticContact CD2-CZ2 3.84Å; F1693-W1718 HydrophobicContact CD2-CZ2 3.84Å; F1693-W1718 HydrophobicContact CD2-CZ3 4.1Å; F1693-W1718 AromaticContact CE2-CD1 3.7Å; F1693-W1718 AromaticContact CE2-CD2 3.65Å; F1693-W1718 HydrophobicContact CE2-CD2 3.65Å; F1693-W1718 AromaticContact CE2-CE2 3.49Å; F1693-W1718 VanDerWaalsContact CE2-CE2 3.49Å; F1693-W1718 HydrophobicContact CE2-CE3 4.34Å; F1693-W1718 AromaticContact CE2-CG 3.81Å; F1693-W1718 HydrophobicContact CE2-CG 3.81Å; F1693-W1718 HydrophobicContact CE2-CZ2 4.06Å; F1693-W1718 AromaticContact CE2-NE1 3.51Å; R1694-W1718 WeakPolarHBondContact O-CZ2 3.17Å; P1697-W1718 HydrophobicContact CB-CZ2 4.46Å; P1697-W1718 HydrophobicContact CG-CZ2 4.2Å; S1716-W1718 PolarHBondContact OG-NE1 2.87Å; W1718-V1746 HydrophobicContact CB-CG1 4Å; W1718-V1746 HydrophobicContact CB-CG2 3.97Å; W1718-V1746 HydrophobicContact CD2-CG1 4.44Å; W1718-V1746 HydrophobicContact CE3-CG1 4.05Å; W1718-V1746 HydrophobicContact CG-CG1 4.46Å; W1718-V1746 HydrophobicContact CG-CG2 4.39Å
1719M94.5Very high89.3Confident32 Ų3280.4 Ų80.416%0.15837%0.374CS..PPolyproline II helixtrans-67.1134.5174.8-170.4-170.6-61.900108.5H1645 Q1647 S1667 L1683 S1747H1645-M1719 HydrophobicContact CB-CE 4Å; H1645-M1719 HydrophobicContact CB-SD 3.87Å; Q1647-M1719 HydrophobicContact CG-CG 4.44Å; Q1647-M1719 HydrophobicContact CG-SD 3.61Å; S1667-M1719 PolarHBondContact O-N 2.78Å; L1683-M1719 HydrophobicContact CD1-CE 3.7Å; L1683-M1719 HydrophobicContact CD2-CE 3.43Å; L1683-M1719 VanDerWaalsContact CD2-CE 3.43Å; L1683-M1719 HydrophobicContact CG-CE 4.18Å; M1719-S1747 VanDerWaalsContact O-CB 3.23Å; M1719-S1747 WeakPolarHBondContact O-CB 3.47Å; M1719-S1747 PolarHBondContact O-N 3.17Å
1720S92.5Very high89.2Confident56 Ų5685.4 Ų85.439%0.39240%0.396SS..BIsolated β-bridgetrans-79.5151.2-175.853.40000112.8H1745S1720-H1745 VanDerWaalsContact CA-O 3.29Å; S1720-H1745 WeakPolarHBondContact CA-O 2.98Å
1721S91.9Very high88.9Confident19 Ų1990.9 Ų90.913%0.13343%0.431CS..PPolyproline II helixtrans-68.6137.515869.30000109.6Q1647 Q1744 H1745Q1647-S1721 CarbonylContact O-C 3.23Å; Q1647-S1721 WeakPolarHBondContact O-CA 3.36Å; S1721-Q1744 PolarHBondContact OG-O 3.14Å; S1721-H1745 PolarHBondContact N-O 2.95Å; S1721-H1745 VanDerWaalsContact N-O 3.08Å; S1721-H1745 WeakPolarHBondContact OG-CA 3.2Å
1722I90.2Very high88.7Confident51 Ų5193.3 Ų93.326%0.26245%0.45SS..  trans-141119.6-178.2-54.6-179.7000107.5Q1647 E1726 Q1727Q1647-I1722 PolarHBondContact O-N 3.45Å; I1722-E1726 HydrophobicContact CG2-CB 4.31Å; I1722-Q1727 HydrophobicContact CG2-CB 4.42Å; I1722-Q1727 HydrophobicContact CG2-CG 3.9Å
1723R87.7Confident88.8Confident168 Ų16891.6 Ų91.663%0.63446%0.463SS*.  trans-72.7151.8178.5-60.2174.9168.7-178.9-5.8110.4N1725 E1726 Q1727R1723-N1725 VanDerWaalsContact CB-OD1 3.22Å; R1723-N1725 WeakPolarHBondContact CB-OD1 3.07Å; R1723-N1725 PolarHBondContact O-N 3.26Å; R1723-N1725 VanDerWaalsContact O-N 3.1Å; R1723-E1726 HydrophobicContact CB-CB 4.32Å; R1723-E1726 HydrophobicContact CB-CG 4.08Å; R1723-E1726 WeakPolarHBondContact CB-OE2 3.24Å; R1723-E1726 WeakPolarHBondContact CG-OE2 3.28Å; R1723-E1726 PolarHBondContact N-OE2 2.96Å; R1723-E1726 WeakPolarHBondContact O-CA 3Å; R1723-E1726 PolarHBondContact O-N 3.48Å; R1723-Q1727 PolarHBondContact O-N 2.82Å
1724Q85.3Confident88.8Confident129 Ų12991.3 Ų91.360%0.60346%0.464SS*.THydrogen-bonded Turntrans-53.8-36.9-175.1-154.384.517.200112.6
1725N88.6Confident89.1Confident117 Ų11796.4 Ų96.463%0.62649%0.493SS*.THydrogen-bonded Turntrans-80.5-10.2177.763.7-40.4000114.6R1723 I1729R1723-N1725 VanDerWaalsContact CB-OD1 3.22Å; R1723-N1725 WeakPolarHBondContact CB-OD1 3.07Å; R1723-N1725 PolarHBondContact O-N 3.26Å; R1723-N1725 VanDerWaalsContact O-N 3.1Å; N1725-I1729 WeakPolarHBondContact O-CD1 3.31Å; N1725-I1729 WeakPolarHBondContact O-CG1 3.43Å
1726E88.7Confident89.1Confident80 Ų8092.5 Ų92.537%0.37448%0.479SS..THydrogen-bonded Turntrans-100.7-14.5-176.8-68.8169.6172.900113I1722 R1723 F1728 I1729I1722-E1726 HydrophobicContact CG2-CB 4.31Å; R1723-E1726 HydrophobicContact CB-CB 4.32Å; R1723-E1726 HydrophobicContact CB-CG 4.08Å; R1723-E1726 WeakPolarHBondContact CB-OE2 3.24Å; R1723-E1726 WeakPolarHBondContact CG-OE2 3.28Å; R1723-E1726 PolarHBondContact N-OE2 2.96Å; R1723-E1726 WeakPolarHBondContact O-CA 3Å; R1723-E1726 PolarHBondContact O-N 3.48Å; E1726-F1728 VanDerWaalsContact C-N 3.28Å; E1726-F1728 PolarHBondContact O-N 3.41Å; E1726-F1728 VanDerWaalsContact O-N 3.12Å; E1726-I1729 PolarHBondContact O-N 2.74Å
1727Q88.6Confident88.8Confident89 Ų8996 Ų9642%0.41650%0.496SS..THydrogen-bonded Turntrans-50.8-39.5-173.6-66.5179.2-5.400115I1722 R1723I1722-Q1727 HydrophobicContact CG2-CB 4.42Å; I1722-Q1727 HydrophobicContact CG2-CG 3.9Å; R1723-Q1727 PolarHBondContact O-N 2.82Å
1728F92.8Very high88.5Confident197 Ų19794.3 Ų94.386%0.86450%0.496SS*.THydrogen-bonded Turntrans-108.56.7-179.8-55.8-77000112.9E1726E1726-F1728 VanDerWaalsContact C-N 3.28Å; E1726-F1728 PolarHBondContact O-N 3.41Å; E1726-F1728 VanDerWaalsContact O-N 3.12Å
1729I89.1Confident88Confident107 Ų10799 Ų9955%0.54952%0.52SS..SBendtrans-86147170.9-59.3-175.2000108.1N1725 E1726 P1731N1725-I1729 WeakPolarHBondContact O-CD1 3.31Å; N1725-I1729 WeakPolarHBondContact O-CG1 3.43Å; E1726-I1729 PolarHBondContact O-N 2.74Å; I1729-P1731 WeakPolarHBondContact O-CD 3.12Å
1730K88.4Confident87.5Confident122 Ų122102.2 Ų102.253%0.5354%0.541SS..PPolyproline II helixtrans-60120.5173.6177.5172.4-178.2165.30110.1P1409 I1732P1409-K1730 VanDerWaalsContact CD-NZ 3.33Å; K1730-I1732 PolarHBondContact O-N 2.79Å
1731P83.8Confident87.1Confident115 Ų115100 Ų10075%0.74753%0.526SS*.PPolyproline II helixtrans-63.3138.3179.624.7-33.8000111.2I1729I1729-P1731 WeakPolarHBondContact O-CD 3.12Å
1732I83.7Confident87Confident144 Ų144101.3 Ų101.374%0.73853%0.532SS*.PPolyproline II helixtrans-81122.9179.1-55.7178.3000108.6K1730 T1734K1730-I1732 PolarHBondContact O-N 2.79Å; I1732-T1734 HydrophobicContact CB-CG2 4.41Å; I1732-T1734 HydrophobicContact CG2-CG2 4.02Å; I1732-T1734 PolarHBondContact O-N 2.88Å; I1732-T1734 PolarHBondContact O-OG1 3.31Å
1733G85.8Confident87Confident79 Ų79101.2 Ų101.281%0.81453%0.531SS*.  trans-66.393.5175.600000111.3
1734T85.1Confident87.1Confident76 Ų7698.6 Ų98.647%0.46653%0.526SS..  trans-108.3157.8-176.140.20000111I1732 Y1736I1732-T1734 HydrophobicContact CB-CG2 4.41Å; I1732-T1734 HydrophobicContact CG2-CG2 4.02Å; I1732-T1734 PolarHBondContact O-N 2.88Å; I1732-T1734 PolarHBondContact O-OG1 3.31Å; T1734-Y1736 WeakPolarHBondContact CB-OH 3.43Å; T1734-Y1736 WeakPolarHBondContact CG2-OH 3.44Å; T1734-Y1736 VanDerWaalsContact OG1-CE2 3.29Å; T1734-Y1736 WeakPolarHBondContact OG1-CE2 3.27Å; T1734-Y1736 PolarHBondContact OG1-OH 2.92Å
1735T89Confident87.4Confident122 Ų12296 Ų9675%0.74851%0.514SS*.  trans-137.2122.9177.5-55.40000108.8
1736Y87.2Confident87.7Confident77 Ų7790.8 Ų90.830%0.30249%0.487SS..  trans-110.1117-174.7-55.1-81000110T1734 G1741 I1742 H1745T1734-Y1736 WeakPolarHBondContact CB-OH 3.43Å; T1734-Y1736 WeakPolarHBondContact CG2-OH 3.44Å; T1734-Y1736 VanDerWaalsContact OG1-CE2 3.29Å; T1734-Y1736 WeakPolarHBondContact OG1-CE2 3.27Å; T1734-Y1736 PolarHBondContact OG1-OH 2.92Å; Y1736-G1741 WeakPolarHBondContact CD1-O 3.48Å; Y1736-I1742 WeakPolarHBondContact O-CG1 3.2Å; Y1736-H1745 HydrophobicContact CD2-CB 4.43Å; Y1736-H1745 AromaticContact CE1-CD2 3.31Å; Y1736-H1745 WeakPolarHBondContact CE1-CD2 3.25Å; Y1736-H1745 AromaticContact CE1-NE2 3.7Å; Y1736-H1745 HydrophobicContact CE2-CB 4.02Å; Y1736-H1745 AromaticContact CE2-CD2 3.73Å; Y1736-H1745 AromaticContact CE2-CG 3.84Å; Y1736-H1745 AromaticContact CZ-CD2 3.13Å; Y1736-H1745 AromaticContact CZ-CG 3.65Å; Y1736-H1745 AromaticContact CZ-NE2 3.54Å; Y1736-H1745 PolarHBondContact OH-CD2 2.98Å; Y1736-H1745 VanDerWaalsContact OH-CD2 3.26Å; Y1736-H1745 PolarHBondContact OH-NE2 3Å; Y1736-H1745 VanDerWaalsContact OH-NE2 3.17Å
1737N85.1Confident88Confident94 Ų9487 Ų8750%0.50347%0.469SS..  trans-100-4.5-179.9-62.3-6.4000112.6
1738T86.5Confident88.4Confident64 Ų6485.1 Ų85.139%0.39346%0.458SS..SBendtrans-108.713817751.40000109.8T1740 G1741 I1742T1738-T1740 VanDerWaalsContact C-N 3.32Å; T1738-T1740 PolarHBondContact O-N 3.14Å; T1738-G1741 PolarHBondContact O-N 3.49Å; T1738-G1741 PolarHBondContact OG1-N 3.01Å; T1738-I1742 WeakPolarHBondContact O-CG1 3.33Å; T1738-I1742 PolarHBondContact O-N 3.48Å
1739E82.8Confident88.5Confident141 Ų14175.8 Ų75.866%0.65942%0.417SS*.Hα-helixtrans-54.6-46.5178.3-176.7168.5-153.300111.9G1741 I1742 L1743E1739-G1741 VanDerWaalsContact C-N 3.32Å; E1739-G1741 PolarHBondContact O-N 2.96Å; E1739-I1742 PolarHBondContact O-N 3.22Å; E1739-I1742 VanDerWaalsContact O-N 3.13Å; E1739-L1743 HydrophobicContact CG-CD1 3.9Å; E1739-L1743 HydrophobicContact CG-CG 4.37Å; E1739-L1743 VanDerWaalsContact O-CG 3.24Å; E1739-L1743 WeakPolarHBondContact O-CG 3.24Å; E1739-L1743 PolarHBondContact O-N 3.39Å
1740T83.9Confident88.9Confident100 Ų10070.7 Ų70.761%0.61339%0.391SS*.Hα-helixtrans-58-40.217551.80000113.5T1738 L1743 Q1744T1738-T1740 VanDerWaalsContact C-N 3.32Å; T1738-T1740 PolarHBondContact O-N 3.14Å; T1740-L1743 PolarHBondContact O-N 3.08Å; T1740-Q1744 WeakPolarHBondContact O-CB 3.27Å; T1740-Q1744 WeakPolarHBondContact O-CG 2.94Å; T1740-Q1744 PolarHBondContact O-N 3.32Å
1741G85.4Confident89.3Confident8 Ų864.9 Ų64.98%0.08237%0.366CS..Hα-helixtrans-72.8-29.6177.900000113.1Y1736 T1738 E1739 H1745Y1736-G1741 WeakPolarHBondContact CD1-O 3.48Å; T1738-G1741 PolarHBondContact O-N 3.49Å; T1738-G1741 PolarHBondContact OG1-N 3.01Å; E1739-G1741 VanDerWaalsContact C-N 3.32Å; E1739-G1741 PolarHBondContact O-N 2.96Å; G1741-H1745 PolarHBondContact O-CD2 3.43Å
1742I89.6Confident89.8Confident47 Ų4759.4 Ų59.424%0.24133%0.33CS..Hα-helixtrans-70.1-48.8171.5-63.5162.4000109.7F1693 Y1736 T1738 E1739 Q1744 H1745 V1746F1693-I1742 HydrophobicContact CE1-CG2 3.7Å; F1693-I1742 HydrophobicContact CE2-CG2 4.07Å; F1693-I1742 HydrophobicContact CZ-CG2 3.38Å; Y1736-I1742 WeakPolarHBondContact O-CG1 3.2Å; T1738-I1742 WeakPolarHBondContact O-CG1 3.33Å; T1738-I1742 PolarHBondContact O-N 3.48Å; E1739-I1742 PolarHBondContact O-N 3.22Å; E1739-I1742 VanDerWaalsContact O-N 3.13Å; I1742-Q1744 VanDerWaalsContact C-N 3.35Å; I1742-Q1744 PolarHBondContact O-N 2.99Å; I1742-H1745 CarbonylContact O-C 3.16Å; I1742-H1745 WeakPolarHBondContact O-CA 3.14Å; I1742-H1745 PolarHBondContact O-N 3.12Å; I1742-V1746 HydrophobicContact CG2-CG2 4.23Å; I1742-V1746 WeakPolarHBondContact O-CG2 3.23Å; I1742-V1746 PolarHBondContact O-N 2.73Å
1743L90.5Very high90.2Very high49 Ų4952.9 Ų52.926%0.25730%0.296SS..Hα-helixtrans-63.8-36.7-176.9-64.7172.3000112.6F1666 F1693 E1739 T1740 H1745 V1746F1666-L1743 HydrophobicContact CD1-CD2 4.26Å; F1666-L1743 HydrophobicContact CE1-CD2 3.53Å; F1666-L1743 HydrophobicContact CZ-CD2 3.82Å; F1693-L1743 HydrophobicContact CB-CD2 3.6Å; F1693-L1743 HydrophobicContact CD1-CD2 3.75Å; F1693-L1743 HydrophobicContact CD2-CD2 4.5Å; F1693-L1743 HydrophobicContact CG-CD2 3.68Å; E1739-L1743 HydrophobicContact CG-CD1 3.9Å; E1739-L1743 HydrophobicContact CG-CG 4.37Å; E1739-L1743 VanDerWaalsContact O-CG 3.24Å; E1739-L1743 WeakPolarHBondContact O-CG 3.24Å; E1739-L1743 PolarHBondContact O-N 3.39Å; T1740-L1743 PolarHBondContact O-N 3.08Å; L1743-H1745 PolarHBondContact O-N 2.9Å; L1743-V1746 PolarHBondContact O-N 3.08Å
1744Q90.1Very high90.2Very high113 Ų11354 Ų5453%0.52828%0.276SS..THydrogen-bonded Turntrans-64.3-13.4171.4-76.8178.7-35.500114.1D1649 S1721 T1740 I1742D1649-Q1744 WeakPolarHBondContact CB-O 3.36Å; S1721-Q1744 PolarHBondContact OG-O 3.14Å; T1740-Q1744 WeakPolarHBondContact O-CB 3.27Å; T1740-Q1744 WeakPolarHBondContact O-CG 2.94Å; T1740-Q1744 PolarHBondContact O-N 3.32Å; I1742-Q1744 VanDerWaalsContact C-N 3.35Å; I1742-Q1744 PolarHBondContact O-N 2.99Å
1745H91.3Very high90Very high75 Ų7551.3 Ų51.335%0.34726%0.261SS..THydrogen-bonded Turntrans-114.27.2177.5-75.7-67.3000114.6S1720 S1721 Y1736 G1741 I1742 L1743S1720-H1745 VanDerWaalsContact CA-O 3.29Å; S1720-H1745 WeakPolarHBondContact CA-O 2.98Å; S1721-H1745 PolarHBondContact N-O 2.95Å; S1721-H1745 VanDerWaalsContact N-O 3.08Å; S1721-H1745 WeakPolarHBondContact OG-CA 3.2Å; Y1736-H1745 HydrophobicContact CD2-CB 4.43Å; Y1736-H1745 AromaticContact CE1-CD2 3.31Å; Y1736-H1745 WeakPolarHBondContact CE1-CD2 3.25Å; Y1736-H1745 AromaticContact CE1-NE2 3.7Å; Y1736-H1745 HydrophobicContact CE2-CB 4.02Å; Y1736-H1745 AromaticContact CE2-CD2 3.73Å; Y1736-H1745 AromaticContact CE2-CG 3.84Å; Y1736-H1745 AromaticContact CZ-CD2 3.13Å; Y1736-H1745 AromaticContact CZ-CG 3.65Å; Y1736-H1745 AromaticContact CZ-NE2 3.54Å; Y1736-H1745 PolarHBondContact OH-CD2 2.98Å; Y1736-H1745 VanDerWaalsContact OH-CD2 3.26Å; Y1736-H1745 PolarHBondContact OH-NE2 3Å; Y1736-H1745 VanDerWaalsContact OH-NE2 3.17Å; G1741-H1745 PolarHBondContact O-CD2 3.43Å; I1742-H1745 CarbonylContact O-C 3.16Å; I1742-H1745 WeakPolarHBondContact O-CA 3.14Å; I1742-H1745 PolarHBondContact O-N 3.12Å; L1743-H1745 PolarHBondContact O-N 2.9Å
1746V93.7Very high89Confident8 Ų848.4 Ų48.45%0.04824%0.24CC..BIsolated β-bridgetrans-106123.8172.9172.90000110.3F1666 F1693 W1718 I1742 L1743 R1748F1666-V1746 HydrophobicContact CB-CG1 4.01Å; F1666-V1746 HydrophobicContact CD1-CB 4.48Å; F1666-V1746 HydrophobicContact CD1-CG1 3.89Å; F1666-V1746 HydrophobicContact CG-CG1 4.43Å; F1693-V1746 HydrophobicContact CD2-CG1 4.4Å; F1693-V1746 HydrophobicContact CD2-CG2 4.16Å; F1693-V1746 HydrophobicContact CE2-CG2 3.88Å; W1718-V1746 HydrophobicContact CB-CG1 4Å; W1718-V1746 HydrophobicContact CB-CG2 3.97Å; W1718-V1746 HydrophobicContact CD2-CG1 4.44Å; W1718-V1746 HydrophobicContact CE3-CG1 4.05Å; W1718-V1746 HydrophobicContact CG-CG1 4.46Å; W1718-V1746 HydrophobicContact CG-CG2 4.39Å; I1742-V1746 HydrophobicContact CG2-CG2 4.23Å; I1742-V1746 WeakPolarHBondContact O-CG2 3.23Å; I1742-V1746 PolarHBondContact O-N 2.73Å; L1743-V1746 PolarHBondContact O-N 3.08Å; V1746-R1748 PolarHBondContact O-N 3.18Å
1747S95.5Very high87.4Confident0 Ų052.6 Ų52.60%026%0.262CS..  trans-56.5132.5175.51760000111.3Q1647 R1648 S1667 M1719Q1647-S1747 VanDerWaalsContact CA-OG 3.27Å; Q1647-S1747 WeakPolarHBondContact CA-OG 3.37Å; Q1647-S1747 PolarHBondContact N-OG 3.25Å; R1648-S1747 CarbonylContact O-C 3.42Å; R1648-S1747 VanDerWaalsContact O-CA 3.31Å; R1648-S1747 WeakPolarHBondContact O-CA 3.45Å; S1667-S1747 VanDerWaalsContact CB-O 3.27Å; S1667-S1747 WeakPolarHBondContact CB-O 3.34Å; S1667-S1747 PolarHBondContact N-O 2.81Å; S1667-S1747 VanDerWaalsContact OG-C 3.31Å; S1667-S1747 WeakPolarHBondContact OG-CB 3.5Å; S1667-S1747 PolarHBondContact OG-O 2.99Å; S1667-S1747 PolarHBondContact OG-OG 3.31Å; S1667-S1747 VanDerWaalsContact OG-OG 3.12Å; M1719-S1747 VanDerWaalsContact O-CB 3.23Å; M1719-S1747 WeakPolarHBondContact O-CB 3.47Å; M1719-S1747 PolarHBondContact O-N 3.17Å
1748R96.3Very high85.7Confident50 Ų5049.3 Ų49.319%0.18925%0.247CC..EExtended strand (participates in β ladder)trans-75.3159.4169.8-50.1-45.9-53.7-105.9-2.3111.3S1646 R1648 D1649 D1650 I1651 G1665 F1666 S1667 V1746S1646-R1748 PolarHBondContact N-O 2.79Å; S1646-R1748 PolarHBondContact OG-N 2.64Å; S1646-R1748 PolarHBondContact OG-O 2.99Å; R1648-R1748 PolarHBondContact O-N 2.95Å; D1649-R1748 WeakPolarHBondContact O-CD 3.33Å; D1649-R1748 WeakPolarHBondContact O-CG 3.21Å; D1650-R1748 WeakPolarHBondContact O-CB 3.33Å; D1650-R1748 VanDerWaalsContact O-CG 3.26Å; D1650-R1748 WeakPolarHBondContact O-CG 3.36Å; I1651-R1748 HydrophobicContact CG1-CB 3.79Å; I1651-R1748 HydrophobicContact CG1-CG 4.03Å; G1665-R1748 PolarHBondContact O-NE 3.38Å; G1665-R1748 PolarHBondContact O-NH2 3.41Å; F1666-R1748 VanDerWaalsContact CZ-CZ 3.46Å; F1666-R1748 VanDerWaalsContact CZ-NH2 3.33Å; S1667-R1748 PolarHBondContact OG-O 3.13Å; S1667-R1748 VanDerWaalsContact OG-O 3.04Å; V1746-R1748 PolarHBondContact O-N 3.18Å
1749C96.7Very high83.9Confident0 Ų051.1 Ų51.10%025%0.254CS..EExtended strand (participates in β ladder)trans-137.5154.7174.864.80000110.2F1644 N1664 G1665 F1666 C1689F1644-C1749 CarbonylContact O-C 3.51Å; F1644-C1749 WeakPolarHBondContact O-CA 3.12Å; F1644-C1749 VanDerWaalsContact O-CB 3.3Å; F1644-C1749 WeakPolarHBondContact O-CB 3.38Å; N1664-C1749 WeakPolarHBondContact CA-O 3.45Å; G1665-C1749 VanDerWaalsContact CA-SG 3.57Å; G1665-C1749 PolarHBondContact N-O 3.04Å; G1665-C1749 PolarHBondContact O-N 3.21Å; F1666-C1749 PolarHBondContact N-SG 2.82Å; F1666-C1749 PolarHBondContact O-SG 3.11Å; C1689-C1749 WeakPolarHBondContact CA-SG 2.93Å; C1689-C1749 HydrophobicContact CB-CB 3.76Å; C1689-C1749 WeakPolarHBondContact CB-SG 3.23Å; C1689-C1749 VanDerWaalsContact SG-C 3.52Å; C1689-C1749 WeakPolarHBondContact SG-CB 3.08Å; C1689-C1749 CovalentContact SG-SG 2.03Å; C1689-C1749 PolarHBondContact SG-SG 3.32Å
1750S96.7Very high81.9Confident1 Ų151.9 Ų51.91%0.00726%0.261CS..EExtended strand (participates in β ladder)trans-132125.2172.3-60.90000107.7F1644 M1654 N1664F1644-S1750 PolarHBondContact N-O 3.09Å; F1644-S1750 PolarHBondContact O-N 3.23Å; M1654-S1750 VanDerWaalsContact CB-OG 3.31Å; M1654-S1750 WeakPolarHBondContact CB-OG 3.27Å; M1654-S1750 PolarHBondContact SD-OG 3.01Å; N1664-S1750 PolarHBondContact OD1-OG 3.15Å
1751V96.2Very high79.4Confident0 Ų061 Ų610%028%0.284CS..EExtended strand (participates in β ladder)trans-87.9121.5166.4-176.70000107.7L1641 V1642 A1643 A1662 W1663 P1686 C1689L1641-V1751 HydrophobicContact CB-CG1 3.95Å; L1641-V1751 HydrophobicContact CD2-CG1 3.95Å; L1641-V1751 HydrophobicContact CG-CG1 4.4Å; V1642-V1751 WeakPolarHBondContact O-CA 3.49Å; A1643-V1751 HydrophobicContact CB-CG2 4.17Å; A1662-V1751 HydrophobicContact CB-CG1 4.41Å; A1662-V1751 WeakPolarHBondContact CB-O 2.94Å; A1662-V1751 PolarHBondContact N-O 2.76Å; W1663-V1751 HydrophobicContact CD2-CB 3.84Å; W1663-V1751 HydrophobicContact CD2-CG1 4.47Å; W1663-V1751 HydrophobicContact CD2-CG2 4.01Å; W1663-V1751 HydrophobicContact CE3-CB 4.09Å; W1663-V1751 HydrophobicContact CE3-CG1 4.27Å; W1663-V1751 HydrophobicContact CG-CB 4.39Å; W1663-V1751 HydrophobicContact CG-CG2 4.49Å; W1663-V1751 HydrophobicContact CH2-CB 4.22Å; W1663-V1751 HydrophobicContact CH2-CG1 3.9Å; W1663-V1751 HydrophobicContact CH2-CG2 4.22Å; W1663-V1751 HydrophobicContact CZ2-CB 3.99Å; W1663-V1751 HydrophobicContact CZ2-CG1 4.1Å; W1663-V1751 HydrophobicContact CZ2-CG2 3.56Å; W1663-V1751 HydrophobicContact CZ3-CB 4.24Å; W1663-V1751 HydrophobicContact CZ3-CG1 3.96Å; W1663-V1751 PolarHBondContact N-O 2.82Å; W1663-V1751 PolarHBondContact O-N 3.18Å; P1686-V1751 HydrophobicContact CB-CG1 3.96Å; P1686-V1751 HydrophobicContact CB-CG2 4.17Å; P1686-V1751 HydrophobicContact CG-CG1 3.96Å; C1689-V1751 HydrophobicContact CB-CG2 3.51Å
1752C94.7Very high79.1Confident0 Ų063.7 Ų63.70%029%0.294CS..EExtended strand (participates in β ladder)trans-119.7148.1-175.4-52.40000109.8L1641 V1642 F1644 C1655 W1659 E1660L1641-C1752 WeakPolarHBondContact CA-O 3.38Å; V1642-C1752 PolarHBondContact N-O 2.93Å; V1642-C1752 PolarHBondContact O-N 3.48Å; F1644-C1752 HydrophobicContact CD2-CB 4Å; F1644-C1752 HydrophobicContact CE2-CB 3.96Å; C1655-C1752 WeakPolarHBondContact CA-SG 3.07Å; C1655-C1752 HydrophobicContact CB-CB 3.77Å; C1655-C1752 WeakPolarHBondContact CB-SG 3.07Å; C1655-C1752 WeakPolarHBondContact SG-CB 3.45Å; C1655-C1752 CovalentContact SG-SG 2.04Å; C1655-C1752 PolarHBondContact SG-SG 3.06Å; W1659-C1752 HydrophobicContact CB-CB 4.25Å; W1659-C1752 HydrophobicContact CE3-CB 3.88Å; E1660-C1752 CarbonylContact O-C 3.58Å; E1660-C1752 VanDerWaalsContact O-CA 3.23Å; E1660-C1752 WeakPolarHBondContact O-CA 3.07Å
1753R91.9Very high78.5Confident6 Ų664.5 Ų64.52%0.02330%0.297CS..EExtended strand (participates in β ladder)trans-114144.9171.9179.117663.1-165.2-13.4109.4I1546 Y1547 S1637 T1639 L1641 W1659 E1660 A1755I1546-R1753 PolarHBondContact O-NH2 3.24Å; Y1547-R1753 PolarHBondContact O-NH1 3.27Å; S1637-R1753 WeakPolarHBondContact OG-CD 3.48Å; T1639-R1753 VanDerWaalsContact OG1-CD 3.26Å; T1639-R1753 WeakPolarHBondContact OG1-CD 3.46Å; T1639-R1753 WeakPolarHBondContact OG1-CG 3.44Å; L1641-R1753 HydrophobicContact CD1-CB 4.4Å; L1641-R1753 HydrophobicContact CD1-CG 4.32Å; L1641-R1753 HydrophobicContact CG-CB 4.14Å; W1659-R1753 CarbonylContact C-O 3.6Å; W1659-R1753 WeakPolarHBondContact CA-O 2.97Å; W1659-R1753 WeakPolarHBondContact CB-O 3.28Å; E1660-R1753 VanDerWaalsContact CD-NE 3.31Å; E1660-R1753 HydrophobicContact CG-CB 3.93Å; E1660-R1753 PolarHBondContact N-O 2.87Å; E1660-R1753 PolarHBondContact O-N 2.98Å; E1660-R1753 IonicContact OE1-CZ 3.79Å; E1660-R1753 VanDerWaalsContact OE1-CZ 3.29Å; E1660-R1753 IonicContact OE1-NE 3.12Å; E1660-R1753 PolarHBondContact OE1-NE 3.01Å; E1660-R1753 IonicContact OE1-NH2 3.29Å; E1660-R1753 PolarHBondContact OE1-NH2 2.8Å; E1660-R1753 VanDerWaalsContact OE1-NH2 3.12Å; E1660-R1753 IonicContact OE2-CZ 2.82Å; E1660-R1753 IonicContact OE2-NE 2.73Å; E1660-R1753 IonicContact OE2-NH2 3.64Å; E1660-R1753 PolarHBondContact OE2-NH2 3.48Å; R1753-A1755 PolarHBondContact O-N 3.5Å
1754R86.6Confident77.9Confident104 Ų10465.4 Ų65.439%0.39230%0.3SS..EExtended strand (participates in β ladder)trans-69.8118.2169.9-177.3169.4176.6169.3-3.4109.6T1639 W1659 S1758T1639-R1754 HydrophobicContact CG2-CB 4.46Å; T1639-R1754 PolarHBondContact OG1-O 3.09Å; W1659-R1754 HydrophobicContact CD2-CB 4.09Å; W1659-R1754 HydrophobicContact CE3-CB 4.26Å; W1659-R1754 VanDerWaalsContact CE3-N 3.25Å; W1659-R1754 HydrophobicContact CH2-CB 4.31Å; W1659-R1754 HydrophobicContact CZ2-CB 4.15Å; W1659-R1754 HydrophobicContact CZ3-CB 4.36Å; R1754-S1758 WeakPolarHBondContact CG-OG 3.14Å; R1754-S1758 PolarHBondContact NE-O 2.91Å; R1754-S1758 PolarHBondContact NE-OG 2.81Å; R1754-S1758 VanDerWaalsContact NE-OG 3.12Å; R1754-S1758 PolarHBondContact NH2-O 3.31Å
1755A81Confident77.2Confident19 Ų1962.6 Ų62.616%0.15729%0.286CS..  trans-69.4144.7-172.700000111.5G1658 E1660 R1753 E1757 S1758G1658-A1755 WeakPolarHBondContact O-CB 3.29Å; G1658-A1755 PolarHBondContact O-N 2.74Å; E1660-A1755 HydrophobicContact CB-CB 4.41Å; E1660-A1755 WeakPolarHBondContact OE1-CA 3.46Å; R1753-A1755 PolarHBondContact O-N 3.5Å; A1755-E1757 VanDerWaalsContact C-N 3.27Å; A1755-E1757 PolarHBondContact O-N 2.94Å; A1755-S1758 WeakPolarHBondContact O-CB 3.41Å; A1755-S1758 PolarHBondContact O-N 2.86Å; A1755-S1758 PolarHBondContact O-OG 2.8Å
1756M66.6Low76.3Confident60 Ų6061.8 Ų61.830%0.29628%0.282SS..G310 helixtrans-64.4-27.8-171.7-59.9-162.7-162.500113.8R1638 S1758 L1759R1638-M1756 HydrophobicContact CB-CE 4.17Å; R1638-M1756 HydrophobicContact CG-CE 4.11Å; M1756-S1758 PolarHBondContact O-N 3.34Å; M1756-L1759 WeakPolarHBondContact O-CB 3.2Å; M1756-L1759 PolarHBondContact O-N 2.85Å; M1756-L1759 VanDerWaalsContact O-N 3.08Å
1757E54.2Low75.1Confident166 Ų16665.4 Ų65.478%0.77630%0.298SS*.G310 helixtrans-62.3-30.7173.7-62.7179.3157.800112.2A1755 L1759 L1760A1755-E1757 VanDerWaalsContact C-N 3.27Å; A1755-E1757 PolarHBondContact O-N 2.94Å; E1757-L1759 PolarHBondContact O-N 3.4Å; E1757-L1760 PolarHBondContact O-N 2.62Å
1758S50.1Low73.7Confident25 Ų2570.1 Ų70.118%0.17532%0.319CS..G310 helixtrans-78.310.2175.278.20000114.2G1658 R1754 A1755 M1756G1658-S1758 PolarHBondContact O-OG 2.99Å; R1754-S1758 WeakPolarHBondContact CG-OG 3.14Å; R1754-S1758 PolarHBondContact NE-O 2.91Å; R1754-S1758 PolarHBondContact NE-OG 2.81Å; R1754-S1758 VanDerWaalsContact NE-OG 3.12Å; R1754-S1758 PolarHBondContact NH2-O 3.31Å; A1755-S1758 WeakPolarHBondContact O-CB 3.41Å; A1755-S1758 PolarHBondContact O-N 2.86Å; A1755-S1758 PolarHBondContact O-OG 2.8Å; M1756-S1758 PolarHBondContact O-N 3.34Å
1759L48.1Very low71.9Confident102 Ų10271.6 Ų71.653%0.53433%0.329SS..G310 helixtrans-120.70.7171.5-89.8159.5000112.2T1639 M1756 E1757T1639-L1759 HydrophobicContact CG2-CD1 3.31Å; M1756-L1759 WeakPolarHBondContact O-CB 3.2Å; M1756-L1759 PolarHBondContact O-N 2.85Å; M1756-L1759 VanDerWaalsContact O-N 3.08Å; E1757-L1759 PolarHBondContact O-N 3.4Å
1760L40.3Very low69.8Low157 Ų15777.6 Ų77.682%0.82236%0.357SS*.  trans-119.518179.7-81.8162.9000111.6E1757E1757-L1760 PolarHBondContact O-N 2.62Å
1761R31.6Very low67.4Low291 Ų29184.5 Ų84.5100%1.09839%0.388SS*.  trans-151.50-174.9-159.9-176.8-162.4-158.85.2110.5

Retrieved 1,761 of 1,761 residues in 1858.8 ms (Link to these results)