A0A3Q0KHZ1_SCHMA Loading...

Protection of telomeres protein 1 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KHZ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 635 aa.

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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
1M47.3Very low84.4Confident236 Ų236111.6 Ų111.6100%1.16355%0.547SS*.  0136.40-77178.5-174.900108.3R3M1-R3 PolarHBondContact O-N 3.37Å
2S59Low85.1Confident117 Ų117102.5 Ų102.582%0.81850%0.503SS*.PPolyproline II helixtrans-61.7120.1173.552.70000109.5
3R78.9Confident85.7Confident184 Ų184102.2 Ų102.269%0.69452%0.517SS*.PPolyproline II helixtrans-66134.8-179.2-147.5173.5-166165.64.6109.5M1 E125M1-R3 PolarHBondContact O-N 3.37Å; R3-E125 IonicContact NH2-OE1 3.27Å; R3-E125 PolarHBondContact NH2-OE1 3.39Å
4Y87.4Confident86.2Confident73 Ų7397.5 Ų97.529%0.28651%0.507SS..PPolyproline II helixtrans-67.1138173.6-71-83.7000109.7H77 R78 T121Y4-H77 AromaticContact CD2-CE1 3.44Å; Y4-H77 VanDerWaalsContact CD2-CE1 3.44Å; Y4-H77 WeakPolarHBondContact CD2-CE1 3.22Å; Y4-H77 AromaticContact CD2-NE2 3.99Å; Y4-H77 AromaticContact CE1-ND1 3.76Å; Y4-H77 AromaticContact CE2-CE1 3.49Å; Y4-H77 VanDerWaalsContact CE2-CE1 3.49Å; Y4-H77 WeakPolarHBondContact CE2-CE1 3.29Å; Y4-H77 AromaticContact CE2-ND1 3.71Å; Y4-H77 AromaticContact CG-CE1 3.77Å; Y4-H77 AromaticContact CG-NE2 3.96Å; Y4-H77 AromaticContact CZ-CE1 3.84Å; Y4-H77 AromaticContact CZ-ND1 3.56Å; Y4-R78 PolarHBondContact OH-NH2 3.06Å; Y4-R78 VanDerWaalsContact OH-NH2 3.1Å; Y4-T121 VanDerWaalsContact CE2-OG1 3.25Å; Y4-T121 WeakPolarHBondContact CE2-OG1 3.49Å
5K91.4Very high86.8Confident173 Ų17396.7 Ų96.775%0.75251%0.513SS*.PPolyproline II helixtrans-96.9123.9171.8-171.1177.2-179.8-178.30108.6N17K5-N17 PolarHBondContact O-ND2 3.01Å
6Y95.5Very high87.4Confident55 Ų5591.4 Ų91.422%0.21649%0.486CS..BIsolated β-bridgetrans-96.8152.7176.1-60.3-91.4000110.7N17 I19 I75 H77 E126Y6-N17 VanDerWaalsContact CA-O 3.26Å; Y6-N17 WeakPolarHBondContact CA-O 3.45Å; Y6-N17 HydrophobicContact CD1-CB 3.71Å; Y6-N17 HydrophobicContact CE1-CB 3.85Å; Y6-N17 HydrophobicContact CG-CB 4.38Å; Y6-I19 HydrophobicContact CD1-CD1 4.02Å; Y6-I19 HydrophobicContact CD1-CG1 3.55Å; Y6-I19 HydrophobicContact CE1-CD1 3.96Å; Y6-I19 HydrophobicContact CE1-CG1 3.65Å; Y6-I19 HydrophobicContact CE2-CD1 4.48Å; Y6-I19 HydrophobicContact CG-CD1 4.31Å; Y6-I19 HydrophobicContact CG-CG1 4.21Å; Y6-I75 HydrophobicContact CE1-CG2 3.95Å; Y6-H77 AromaticContact CE1-CD2 4Å; Y6-H77 AromaticContact CE1-NE2 3.87Å; Y6-H77 AromaticContact CZ-NE2 3.68Å; Y6-H77 PolarHBondContact OH-NE2 2.95Å; Y6-E126 HydrophobicContact CE2-CG 3.62Å; Y6-E126 WeakPolarHBondContact CE2-OE1 3.33Å; Y6-E126 WeakPolarHBondContact OH-CG 3.33Å; Y6-E126 PolarHBondContact OH-OE1 3.17Å
7V96Very high88Confident45 Ų4587.5 Ų87.527%0.27347%0.465SS..  trans-129.6154.3176.6-57.70000110.1A12 V16 N17 V18V7-A12 HydrophobicContact CG2-CB 4.17Å; V7-V16 HydrophobicContact CG2-CB 3.67Å; V7-V16 HydrophobicContact CG2-CG1 3.79Å; V7-V16 HydrophobicContact CG2-CG2 4.24Å; V7-N17 PolarHBondContact N-O 3.08Å; V7-V18 HydrophobicContact CG2-CG1 4.11Å
8D95.4Very high88.5Confident103 Ų10382.7 Ų82.755%0.55144%0.439SS*.  trans-71.6145.6172.1-64.4-21.4000110.5K10 S11 A12D8-K10 VanDerWaalsContact C-N 3.27Å; D8-K10 PolarHBondContact O-N 2.75Å; D8-S11 CarbonylContact O-C 3.55Å; D8-S11 PolarHBondContact O-N 3.37Å; D8-S11 PolarHBondContact O-OG 2.82Å; D8-A12 PolarHBondContact O-N 3.1Å; D8-A12 VanDerWaalsContact O-N 3.13Å
9L94.6Very high89Confident1 Ų179.1 Ų79.11%0.00542%0.42CS..G310 helixtrans-59.1-36.1-177.1-68.9178.4000112.9S11 A12 V18 A20 I42 D44 S46 L47 M52L9-S11 PolarHBondContact O-N 3.12Å; L9-A12 WeakPolarHBondContact O-CB 3.38Å; L9-A12 PolarHBondContact O-N 2.87Å; L9-V18 HydrophobicContact CD2-CB 4.16Å; L9-V18 HydrophobicContact CD2-CG1 4.03Å; L9-V18 HydrophobicContact CD2-CG2 4.36Å; L9-A20 HydrophobicContact CD1-CB 3.9Å; L9-A20 HydrophobicContact CG-CB 4.43Å; L9-I42 HydrophobicContact CD1-CB 4.48Å; L9-I42 HydrophobicContact CD1-CD1 4.13Å; L9-I42 HydrophobicContact CD1-CG1 3.86Å; L9-I42 HydrophobicContact CD2-CD1 3.63Å; L9-I42 HydrophobicContact CD2-CG1 4.21Å; L9-D44 WeakPolarHBondContact CB-OD2 3.38Å; L9-D44 HydrophobicContact CD1-CB 4.06Å; L9-D44 HydrophobicContact CG-CB 4.32Å; L9-D44 WeakPolarHBondContact CG-OD2 3.31Å; L9-D44 PolarHBondContact N-OD2 3.3Å; L9-S46 PolarHBondContact N-OG 3.02Å; L9-L47 HydrophobicContact CB-CD1 3.87Å; L9-L47 HydrophobicContact CB-CD2 4.15Å; L9-L47 HydrophobicContact CB-CG 3.88Å; L9-L47 HydrophobicContact CD1-CD1 3.73Å; L9-L47 HydrophobicContact CD1-CG 4.37Å; L9-L47 HydrophobicContact CG-CD1 4.49Å; L9-M52 HydrophobicContact CB-CE 4.33Å; L9-M52 HydrophobicContact CD2-CE 4.46Å; L9-M52 HydrophobicContact CD2-SD 4.07Å; L9-M52 VanDerWaalsContact O-CE 3.27Å; L9-M52 WeakPolarHBondContact O-CE 3.33Å
10K91.2Very high89.4Confident162 Ų16275.1 Ų75.170%0.70440%0.399SS*.G310 helixtrans-61.4-31.5176.2-175.5171.5178.1176.40112.9D8 S46 L47D8-K10 VanDerWaalsContact C-N 3.27Å; D8-K10 PolarHBondContact O-N 2.75Å; K10-S46 VanDerWaalsContact CB-OG 3.32Å; K10-S46 WeakPolarHBondContact CB-OG 3.26Å; K10-S46 WeakPolarHBondContact CD-O 3.43Å; K10-S46 PolarHBondContact N-OG 3.29Å; K10-L47 HydrophobicContact CB-CD2 4.1Å
11S91.5Very high89.6Confident79 Ų7971.5 Ų71.555%0.55238%0.38SS*.G310 helixtrans-96.5-2.6-178.7710000113.7D8 L9 S13D8-S11 CarbonylContact O-C 3.55Å; D8-S11 PolarHBondContact O-N 3.37Å; D8-S11 PolarHBondContact O-OG 2.82Å; L9-S11 PolarHBondContact O-N 3.12Å; S11-S13 PolarHBondContact O-N 3.02Å
12A92.9Very high91.7Very high2 Ų260.3 Ų60.32%0.01733%0.325CS..  trans-69.1121.7-171.100000111.8V7 D8 L9 V16 M52 I81V7-A12 HydrophobicContact CG2-CB 4.17Å; D8-A12 PolarHBondContact O-N 3.1Å; D8-A12 VanDerWaalsContact O-N 3.13Å; L9-A12 WeakPolarHBondContact O-CB 3.38Å; L9-A12 PolarHBondContact O-N 2.87Å; A12-V16 HydrophobicContact CB-CG2 4.19Å; A12-M52 HydrophobicContact CB-CE 4.26Å; A12-I81 HydrophobicContact CB-CD1 4.16Å; A12-I81 HydrophobicContact CB-CG1 3.95Å
13S93.3Very high92.8Very high98 Ų9855.1 Ų55.169%0.68529%0.287SS*.  trans-149.5142.4177.5-177.80000110.4S11 V16S11-S13 PolarHBondContact O-N 3.02Å; S13-V16 VanDerWaalsContact O-CG1 3.25Å; S13-V16 WeakPolarHBondContact O-CG1 3.32Å
14G93Very high92.8Very high37 Ų3747.2 Ų47.238%0.38126%0.258SS..EExtended strand (participates in β ladder)trans71.8-142.9-17600000112.8I81G14-I81 PolarHBondContact O-N 2.96Å
15S95.4Very high92.6Very high85 Ų8545.3 Ų45.359%0.59425%0.254SS*.EExtended strand (participates in β ladder)trans-93.7114.7176.7174.20000110.4L79S15-L79 WeakPolarHBondContact CA-O 3.44Å
16V96.5Very high92.4Very high13 Ų1340.1 Ų40.18%0.07923%0.232CC..EExtended strand (participates in β ladder)trans-127.8163.4-170.9-61.90000112.6V7 A12 S13 V18 R78 L79 I81V7-V16 HydrophobicContact CG2-CB 3.67Å; V7-V16 HydrophobicContact CG2-CG1 3.79Å; V7-V16 HydrophobicContact CG2-CG2 4.24Å; A12-V16 HydrophobicContact CB-CG2 4.19Å; S13-V16 VanDerWaalsContact O-CG1 3.25Å; S13-V16 WeakPolarHBondContact O-CG1 3.32Å; V16-V18 HydrophobicContact CB-CG1 4.49Å; V16-V18 HydrophobicContact CG2-CG1 3.84Å; V16-R78 PolarHBondContact O-N 3.45Å; V16-L79 HydrophobicContact CG2-CB 4.33Å; V16-L79 WeakPolarHBondContact CG2-O 3.35Å; V16-L79 PolarHBondContact N-O 3.17Å; V16-L79 PolarHBondContact O-N 3.01Å; V16-I81 HydrophobicContact CG2-CD1 3.91Å; V16-I81 HydrophobicContact CG2-CG1 3.82Å
17N97.1Very high91.9Very high24 Ų2446.2 Ų46.213%0.12826%0.259CS..EExtended strand (participates in β ladder)trans-111.5136.4165.6-44.5-65000108K5 Y6 V7 M76 H77 R78K5-N17 PolarHBondContact O-ND2 3.01Å; Y6-N17 VanDerWaalsContact CA-O 3.26Å; Y6-N17 WeakPolarHBondContact CA-O 3.45Å; Y6-N17 HydrophobicContact CD1-CB 3.71Å; Y6-N17 HydrophobicContact CE1-CB 3.85Å; Y6-N17 HydrophobicContact CG-CB 4.38Å; V7-N17 PolarHBondContact N-O 3.08Å; N17-M76 CarbonylContact C-O 3.58Å; N17-M76 VanDerWaalsContact CA-O 3.23Å; N17-M76 WeakPolarHBondContact CA-O 3.39Å; N17-H77 VanDerWaalsContact OD1-CA 3.25Å; N17-H77 WeakPolarHBondContact OD1-CA 2.95Å; N17-R78 PolarHBondContact OD1-N 3.32Å
18V97.3Very high91.7Very high1 Ų146.4 Ų46.41%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-138.6151-174.9-61.20000110.6V7 L9 V16 I42 M76 L79V7-V18 HydrophobicContact CG2-CG1 4.11Å; L9-V18 HydrophobicContact CD2-CB 4.16Å; L9-V18 HydrophobicContact CD2-CG1 4.03Å; L9-V18 HydrophobicContact CD2-CG2 4.36Å; V16-V18 HydrophobicContact CB-CG1 4.49Å; V16-V18 HydrophobicContact CG2-CG1 3.84Å; V18-I42 HydrophobicContact CG2-CD1 4.5Å; V18-M76 HydrophobicContact CG2-CB 3.99Å; V18-M76 HydrophobicContact CG2-CE 3.49Å; V18-M76 VanDerWaalsContact CG2-CE 3.49Å; V18-M76 PolarHBondContact N-O 3.37Å; V18-M76 PolarHBondContact O-N 3.37Å; V18-L79 HydrophobicContact CG2-CD2 3.78Å
19I97.8Very high91.4Very high14 Ų1447.9 Ų47.97%0.07226%0.263CS..EExtended strand (participates in β ladder)trans-125.2120.9168.9-50.7-178.8000106Y6 I73 I74 I75 E126 V129 I130 L133Y6-I19 HydrophobicContact CD1-CD1 4.02Å; Y6-I19 HydrophobicContact CD1-CG1 3.55Å; Y6-I19 HydrophobicContact CE1-CD1 3.96Å; Y6-I19 HydrophobicContact CE1-CG1 3.65Å; Y6-I19 HydrophobicContact CE2-CD1 4.48Å; Y6-I19 HydrophobicContact CG-CD1 4.31Å; Y6-I19 HydrophobicContact CG-CG1 4.21Å; I19-I73 HydrophobicContact CG2-CG2 3.99Å; I19-I74 WeakPolarHBondContact CA-O 3.08Å; I19-I75 HydrophobicContact CD1-CG1 4.29Å; I19-I75 HydrophobicContact CG1-CG1 4.11Å; I19-I75 HydrophobicContact CG1-CG2 4.39Å; I19-I75 HydrophobicContact CG2-CG1 4.12Å; I19-E126 HydrophobicContact CD1-CB 3.88Å; I19-E126 HydrophobicContact CD1-CG 3.79Å; I19-V129 HydrophobicContact CB-CG1 3.99Å; I19-V129 HydrophobicContact CD1-CB 4Å; I19-V129 HydrophobicContact CD1-CG1 4.01Å; I19-V129 HydrophobicContact CD1-CG2 4.48Å; I19-V129 HydrophobicContact CG2-CG1 3.98Å; I19-I130 HydrophobicContact CG2-CG1 4.12Å; I19-L133 HydrophobicContact CB-CD1 4.47Å; I19-L133 HydrophobicContact CG2-CD1 3.79Å
20A97.2Very high91.3Very high0 Ų054.8 Ų54.80%029%0.293CS..EExtended strand (participates in β ladder)trans-150.9165.2-17100000111.7L9 I42 T43 I73 I74L9-A20 HydrophobicContact CD1-CB 3.9Å; L9-A20 HydrophobicContact CG-CB 4.43Å; A20-I42 HydrophobicContact CB-CB 3.87Å; A20-I42 HydrophobicContact CB-CD1 4.04Å; A20-I42 HydrophobicContact CB-CG1 4.26Å; A20-I42 HydrophobicContact CB-CG2 4.5Å; A20-T43 WeakPolarHBondContact CB-O 3.34Å; A20-I73 WeakPolarHBondContact O-CA 3.46Å; A20-I74 PolarHBondContact N-O 3.21Å; A20-I74 PolarHBondContact O-N 3.23Å
21I93.5Very high91.2Very high0 Ų049.1 Ų49.10%027%0.272CS..EExtended strand (participates in β ladder)trans-93.7135177.8-50.8-163.4000109.5K23 I42 T43 I73 L133 W136 Y137I21-K23 PolarHBondContact O-N 3.43Å; I21-I42 CarbonylContact O-C 3.55Å; I21-I42 WeakPolarHBondContact O-CA 3.31Å; I21-T43 HydrophobicContact CB-CG2 4.09Å; I21-T43 PolarHBondContact N-O 3.49Å; I21-T43 PolarHBondContact O-N 3.31Å; I21-I73 HydrophobicContact CG1-CG1 4.27Å; I21-L133 HydrophobicContact CD1-CB 4.04Å; I21-L133 HydrophobicContact CD1-CD2 4.3Å; I21-L133 WeakPolarHBondContact CD1-O 3.33Å; I21-L133 HydrophobicContact CG1-CB 4.15Å; I21-L133 HydrophobicContact CG1-CD1 4.36Å; I21-L133 HydrophobicContact CG1-CD2 4.17Å; I21-L133 HydrophobicContact CG1-CG 4.47Å; I21-W136 HydrophobicContact CD1-CE3 3.65Å; I21-W136 HydrophobicContact CD1-CZ3 3.67Å; I21-W136 HydrophobicContact CG1-CZ3 4.27Å; I21-Y137 VanDerWaalsContact CD1-CB 3.47Å; I21-Y137 HydrophobicContact CD1-CD2 3.67Å; I21-Y137 HydrophobicContact CD1-CG 3.72Å; I21-Y137 HydrophobicContact CG2-CD2 3.88Å; I21-Y137 HydrophobicContact CG2-CE2 3.86Å; I21-Y137 HydrophobicContact CG2-CG 4.3Å
22V91Very high90.8Very high0 Ų056.1 Ų56.10%029%0.292CS..EExtended strand (participates in β ladder)trans-75.9119.2174.6-179.60000109.7S41 I42 I67 G71 D72 I74V22-S41 CarbonylContact C-O 3.55Å; V22-I42 HydrophobicContact CG2-CG2 4.44Å; V22-I67 HydrophobicContact CB-CG2 4.3Å; V22-I67 HydrophobicContact CG1-CD1 4.36Å; V22-I67 HydrophobicContact CG1-CG2 3.84Å; V22-I67 HydrophobicContact CG2-CD1 3.86Å; V22-I67 HydrophobicContact CG2-CG1 4.18Å; V22-I67 HydrophobicContact CG2-CG2 4.1Å; V22-G71 PolarHBondContact O-N 3.2Å; V22-D72 WeakPolarHBondContact CB-O 3.44Å; V22-D72 WeakPolarHBondContact CG2-O 3.45Å; V22-D72 PolarHBondContact N-O 3.1Å; V22-I74 HydrophobicContact CG2-CB 4.31Å; V22-I74 HydrophobicContact CG2-CG2 3.98Å
23K81.3Confident90.4Very high8 Ų858.2 Ų58.24%0.03532%0.315CS..EExtended strand (participates in β ladder)trans-87.6-28.6171.6-72.3-168.866.91640113.4I21 S41 T43 G49 K51 V144I21-K23 PolarHBondContact O-N 3.43Å; K23-S41 PolarHBondContact N-O 3.02Å; K23-T43 HydrophobicContact CD-CG2 3.65Å; K23-T43 HydrophobicContact CG-CG2 3.5Å; K23-T43 VanDerWaalsContact CG-CG2 3.5Å; K23-G49 PolarHBondContact NZ-O 3.33Å; K23-K51 HydrophobicContact CD-CB 3.95Å; K23-V144 HydrophobicContact CD-CG1 3.95Å; K23-V144 HydrophobicContact CG-CG1 4.04Å
24H79.4Confident89.8Confident18 Ų1858.2 Ų58.28%0.08332%0.315CS..EExtended strand (participates in β ladder)trans-161.4147.6-176.2178.8-97.5000110.5F40 S41 H338H24-F40 CarbonylContact O-C 3.54Å; H24-F40 WeakPolarHBondContact O-CA 3.38Å; H24-F40 WeakPolarHBondContact O-CB 3.33Å; H24-S41 WeakPolarHBondContact CB-OG 3.38Å; H24-S41 PolarHBondContact N-O 3.38Å; H24-S41 PolarHBondContact O-N 3.08Å; H24-H338 VanDerWaalsContact CB-O 3.3Å; H24-H338 WeakPolarHBondContact CB-O 3.3Å; H24-H338 PolarHBondContact CD2-O 2.9Å; H24-H338 WeakPolarHBondContact CE1-CB 3.32Å; H24-H338 AromaticContact CE1-CG 3.6Å; H24-H338 AromaticContact CE1-ND1 3.44Å; H24-H338 PolarHBondContact CE1-ND1 2.98Å; H24-H338 PolarHBondContact ND1-O 2.87Å; H24-H338 AromaticContact NE2-CG 3.81Å; H24-H338 AromaticContact NE2-ND1 3.34Å; H24-H338 PolarHBondContact NE2-ND1 3.38Å
25V84.6Confident89.7Confident34 Ų3457.9 Ų57.921%0.20631%0.306CS..EExtended strand (participates in β ladder)trans-140.3140.8173.460.10000110.2L38 F40 I67V25-L38 HydrophobicContact CG2-CD1 3.92Å; V25-L38 HydrophobicContact CG2-CG 4.44Å; V25-F40 HydrophobicContact CB-CB 4.08Å; V25-F40 HydrophobicContact CG2-CB 4.15Å; V25-I67 HydrophobicContact CB-CG2 3.95Å; V25-I67 HydrophobicContact CG1-CG2 3.83Å; V25-I67 HydrophobicContact CG2-CB 4.2Å; V25-I67 HydrophobicContact CG2-CD1 4.34Å; V25-I67 HydrophobicContact CG2-CG2 4.17Å
26K85.2Confident89.6Confident63 Ų6356.6 Ų56.627%0.27429%0.289SS..PPolyproline II helixtrans-97.6155.9167.8-65.7-171.7-172.3-1570109.6L38 F39 H338K26-L38 WeakPolarHBondContact O-CD1 3.4Å; K26-F39 HydrophobicContact CB-CB 4.45Å; K26-F39 HydrophobicContact CD-CB 4.3Å; K26-F39 HydrophobicContact CD-CD1 3.9Å; K26-F39 HydrophobicContact CD-CG 4.39Å; K26-F39 HydrophobicContact CG-CD1 3.98Å; K26-F39 PolarHBondContact N-O 3.43Å; K26-H338 WeakPolarHBondContact CE-CD2 3.4Å; K26-H338 PolarHBondContact NZ-CD2 2.85Å; K26-H338 PolarHBondContact NZ-NE2 3.4Å
27K85.7Confident89.5Confident183 Ų18356.9 Ų56.980%0.79629%0.292SS*.PPolyproline II helixtrans-56.3143.5168.8-66.5-175.1179.4179.30110.4
28P91.7Very high89.5Confident50 Ų5056 Ų5633%0.32529%0.287SS..PPolyproline II helixtrans-50.5143.9171.1-25.933000112S37 L38 E61 L64P28-S37 WeakPolarHBondContact CA-O 3.46Å; P28-L38 HydrophobicContact CG-CD1 4.06Å; P28-E61 HydrophobicContact CB-CG 3.91Å; P28-E61 HydrophobicContact CG-CG 4.16Å; P28-L64 HydrophobicContact CB-CD1 3.86Å; P28-L64 HydrophobicContact CG-CD1 4.26Å
29K89.9Confident89.2Confident134 Ų13458.5 Ų58.558%0.58330%0.298SS*.EExtended strand (participates in β ladder)trans-129.4132.8176.2-65.3-170.1179.1-167.80110.5T31 Y36 S37K29-T31 PolarHBondContact O-N 3.33Å; K29-Y36 CarbonylContact O-C 3.41Å; K29-S37 PolarHBondContact N-O 3.09Å; K29-S37 PolarHBondContact O-N 2.64Å; K29-S37 PolarHBondContact O-OG 2.94Å; K29-S37 VanDerWaalsContact O-OG 3.13Å
30K92Very high89Confident146 Ų14657.9 Ų57.964%0.63529%0.294SS*.EExtended strand (participates in β ladder)trans-66129.7167.3-165171.3-176.2175.70108.9Y36K30-Y36 HydrophobicContact CB-CD1 4.25Å; K30-Y36 HydrophobicContact CB-CE1 4.09Å; K30-Y36 HydrophobicContact CG-CE1 4.34Å
31T89.5Confident88.6Confident42 Ų4257.9 Ų57.926%0.25829%0.294SS..  trans-79.5173.5177.768.80000110.4K29 G33 S35 F57K29-T31 PolarHBondContact O-N 3.33Å; T31-G33 PolarHBondContact O-N 3.17Å; T31-G33 PolarHBondContact OG1-N 2.86Å; T31-S35 WeakPolarHBondContact CB-O 3.32Å; T31-S35 WeakPolarHBondContact CG2-O 3.37Å; T31-S35 PolarHBondContact N-O 3.22Å; T31-S35 PolarHBondContact OG1-O 3.2Å; T31-F57 HydrophobicContact CG2-CD1 4.18Å; T31-F57 HydrophobicContact CG2-CE1 4.17Å
32K83.2Confident88.6Confident226 Ų22657.9 Ų57.998%0.98329%0.294SS*.SBendtrans-61.9-19.2171.4-67.4-174.1178.1-176.90113
33G83.3Confident88.6Confident47 Ų4757.9 Ų57.949%0.48529%0.294SS..SBendtrans-93.2-156.2175.400000112.9T31T31-G33 PolarHBondContact O-N 3.17Å; T31-G33 PolarHBondContact OG1-N 2.86Å
34S81.4Confident89.2Confident98 Ų9857.8 Ų57.869%0.68529%0.294SS*.SBendtrans-81.7-10.8177.752.50000114.3
35S90Very high89.7Confident29 Ų2960.1 Ų60.120%0.20331%0.311CS..  trans-97.8159.8-172.7-44.20000112.9T31 D59T31-S35 WeakPolarHBondContact CB-O 3.32Å; T31-S35 WeakPolarHBondContact CG2-O 3.37Å; T31-S35 PolarHBondContact N-O 3.22Å; T31-S35 PolarHBondContact OG1-O 3.2Å; S35-D59 PolarHBondContact OG-OD1 3.33Å
36Y94.8Very high90.1Very high58 Ų5859.9 Ų59.923%0.22731%0.311CS..EExtended strand (participates in β ladder)trans-97.9154.6169.4-67.4-102.9000110.6K29 K30 F57 H58 E61K29-Y36 CarbonylContact O-C 3.41Å; K30-Y36 HydrophobicContact CB-CD1 4.25Å; K30-Y36 HydrophobicContact CB-CE1 4.09Å; K30-Y36 HydrophobicContact CG-CE1 4.34Å; Y36-F57 WeakPolarHBondContact O-CA 3.34Å; Y36-H58 PolarHBondContact N-O 2.71Å; Y36-H58 PolarHBondContact O-N 2.92Å; Y36-E61 HydrophobicContact CD1-CB 3.82Å; Y36-E61 HydrophobicContact CD1-CG 4.19Å; Y36-E61 HydrophobicContact CD2-CB 4.41Å; Y36-E61 HydrophobicContact CE1-CB 3.94Å; Y36-E61 HydrophobicContact CE1-CG 4.46Å; Y36-E61 HydrophobicContact CG-CB 4.07Å
37S94.7Very high90.1Very high20 Ų2058.2 Ų58.214%0.1431%0.305CS..EExtended strand (participates in β ladder)trans-128.2140.5177.261.90000111.5P28 K29 V56P28-S37 WeakPolarHBondContact CA-O 3.46Å; K29-S37 PolarHBondContact N-O 3.09Å; K29-S37 PolarHBondContact O-N 2.64Å; K29-S37 PolarHBondContact O-OG 2.94Å; K29-S37 VanDerWaalsContact O-OG 3.13Å; S37-V56 CarbonylContact C-O 3.6Å; S37-V56 VanDerWaalsContact CA-O 3.23Å; S37-V56 WeakPolarHBondContact CA-O 3.43Å
38L95.5Very high89.9Confident5 Ų555.6 Ų55.63%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-120.8122.6171.4-175.168.7000109.2V25 K26 P28 F40 I55 V56 L64 P65 I67V25-L38 HydrophobicContact CG2-CD1 3.92Å; V25-L38 HydrophobicContact CG2-CG 4.44Å; K26-L38 WeakPolarHBondContact O-CD1 3.4Å; P28-L38 HydrophobicContact CG-CD1 4.06Å; L38-F40 HydrophobicContact CD2-CD1 4.03Å; L38-F40 HydrophobicContact CD2-CE1 4.3Å; L38-F40 HydrophobicContact CG-CD1 4.04Å; L38-I55 WeakPolarHBondContact O-CA 3.49Å; L38-V56 PolarHBondContact N-O 2.86Å; L38-V56 PolarHBondContact O-N 3.35Å; L38-L64 HydrophobicContact CB-CB 4.34Å; L38-L64 HydrophobicContact CB-CD1 4.13Å; L38-L64 HydrophobicContact CB-CD2 4.03Å; L38-L64 HydrophobicContact CB-CG 4.4Å; L38-L64 HydrophobicContact CD2-CB 4.4Å; L38-P65 HydrophobicContact CD2-CB 4.13Å; L38-P65 HydrophobicContact CD2-CG 4.3Å; L38-P65 WeakPolarHBondContact CD2-O 3.14Å; L38-I67 HydrophobicContact CD2-CD1 4.31Å
39F92.6Very high88.9Confident54 Ų5453.7 Ų53.724%0.23729%0.289CS..EExtended strand (participates in β ladder)trans-102.1132.1172.2179.2-86.5000110.1K26 C54K26-F39 HydrophobicContact CB-CB 4.45Å; K26-F39 HydrophobicContact CD-CB 4.3Å; K26-F39 HydrophobicContact CD-CD1 3.9Å; K26-F39 HydrophobicContact CD-CG 4.39Å; K26-F39 HydrophobicContact CG-CD1 3.98Å; K26-F39 PolarHBondContact N-O 3.43Å; F39-C54 WeakPolarHBondContact CA-O 3.49Å
40F92.3Very high88.4Confident0 Ų051.6 Ų51.60%028%0.284CS..EExtended strand (participates in β ladder)trans-149.8169.6174.258.3-83.6000110H24 V25 L38 I42 C54 V56 P65 I67 I74 M76H24-F40 CarbonylContact O-C 3.54Å; H24-F40 WeakPolarHBondContact O-CA 3.38Å; H24-F40 WeakPolarHBondContact O-CB 3.33Å; V25-F40 HydrophobicContact CB-CB 4.08Å; V25-F40 HydrophobicContact CG2-CB 4.15Å; L38-F40 HydrophobicContact CD2-CD1 4.03Å; L38-F40 HydrophobicContact CD2-CE1 4.3Å; L38-F40 HydrophobicContact CG-CD1 4.04Å; F40-I42 HydrophobicContact CD2-CG2 3.63Å; F40-I42 HydrophobicContact CE2-CG2 3.64Å; F40-C54 HydrophobicContact CD1-CB 4.35Å; F40-C54 HydrophobicContact CD2-CB 3.92Å; F40-C54 HydrophobicContact CE1-CB 4.05Å; F40-C54 HydrophobicContact CE2-CB 3.56Å; F40-C54 HydrophobicContact CG-CB 4.29Å; F40-C54 HydrophobicContact CZ-CB 3.63Å; F40-C54 PolarHBondContact N-O 3.12Å; F40-C54 PolarHBondContact O-N 3.12Å; F40-V56 HydrophobicContact CE1-CB 4.36Å; F40-V56 HydrophobicContact CE1-CG2 3.56Å; F40-V56 HydrophobicContact CZ-CG2 3.91Å; F40-P65 HydrophobicContact CE1-CG 4.49Å; F40-I67 HydrophobicContact CB-CD1 4.01Å; F40-I67 HydrophobicContact CD1-CD1 3.96Å; F40-I67 HydrophobicContact CD2-CD1 3.86Å; F40-I67 HydrophobicContact CE1-CD1 4.36Å; F40-I67 HydrophobicContact CE2-CD1 4.29Å; F40-I67 HydrophobicContact CG-CD1 3.69Å; F40-I74 HydrophobicContact CE2-CD1 4.16Å; F40-I74 HydrophobicContact CZ-CD1 4.1Å; F40-M76 HydrophobicContact CE2-CE 4.25Å; F40-M76 HydrophobicContact CE2-SD 3.98Å; F40-M76 HydrophobicContact CZ-SD 3.76Å
41S89.7Confident88.1Confident0 Ų046 Ų460%026%0.26CS..EExtended strand (participates in β ladder)trans-129145.1170.560.90000110.9V22 K23 H24 K51 M52V22-S41 CarbonylContact C-O 3.55Å; K23-S41 PolarHBondContact N-O 3.02Å; H24-S41 WeakPolarHBondContact CB-OG 3.38Å; H24-S41 PolarHBondContact N-O 3.38Å; H24-S41 PolarHBondContact O-N 3.08Å; S41-K51 PolarHBondContact OG-NZ 3.31Å; S41-K51 VanDerWaalsContact OG-NZ 3.09Å; S41-M52 CarbonylContact C-O 3.59Å; S41-M52 VanDerWaalsContact CA-O 3.26Å; S41-M52 WeakPolarHBondContact CA-O 3.09Å
42I93.3Very high88.1Confident0 Ų044.4 Ų44.40%025%0.25CC..EExtended strand (participates in β ladder)trans-124.8159-174.660.8-178.4000111.6L9 V18 A20 I21 V22 F40 K51 M52 C54 I74 M76L9-I42 HydrophobicContact CD1-CB 4.48Å; L9-I42 HydrophobicContact CD1-CD1 4.13Å; L9-I42 HydrophobicContact CD1-CG1 3.86Å; L9-I42 HydrophobicContact CD2-CD1 3.63Å; L9-I42 HydrophobicContact CD2-CG1 4.21Å; V18-I42 HydrophobicContact CG2-CD1 4.5Å; A20-I42 HydrophobicContact CB-CB 3.87Å; A20-I42 HydrophobicContact CB-CD1 4.04Å; A20-I42 HydrophobicContact CB-CG1 4.26Å; A20-I42 HydrophobicContact CB-CG2 4.5Å; I21-I42 CarbonylContact O-C 3.55Å; I21-I42 WeakPolarHBondContact O-CA 3.31Å; V22-I42 HydrophobicContact CG2-CG2 4.44Å; F40-I42 HydrophobicContact CD2-CG2 3.63Å; F40-I42 HydrophobicContact CE2-CG2 3.64Å; I42-K51 CarbonylContact O-C 3.43Å; I42-K51 WeakPolarHBondContact O-CA 3.47Å; I42-M52 HydrophobicContact CG1-CB 4.04Å; I42-M52 PolarHBondContact N-O 3.35Å; I42-M52 PolarHBondContact O-N 2.88Å; I42-C54 VanDerWaalsContact CD1-SG 3.54Å; I42-I74 HydrophobicContact CG2-CG2 3.96Å; I42-M76 HydrophobicContact CD1-CE 3.38Å; I42-M76 HydrophobicContact CG2-CE 4.33Å
43T91.1Very high88.5Confident0 Ų035.3 Ų35.30%021%0.214CC..EExtended strand (participates in β ladder)trans-144157.6175.1-169.20000111.1A20 I21 K23 D50 W136 V144A20-T43 WeakPolarHBondContact CB-O 3.34Å; I21-T43 HydrophobicContact CB-CG2 4.09Å; I21-T43 PolarHBondContact N-O 3.49Å; I21-T43 PolarHBondContact O-N 3.31Å; K23-T43 HydrophobicContact CD-CG2 3.65Å; K23-T43 HydrophobicContact CG-CG2 3.5Å; K23-T43 VanDerWaalsContact CG-CG2 3.5Å; T43-D50 PolarHBondContact OG1-O 2.8Å; T43-W136 HydrophobicContact CG2-CH2 4.23Å; T43-W136 HydrophobicContact CG2-CZ3 4.29Å; T43-V144 HydrophobicContact CG2-CG1 4.22Å; T43-V144 HydrophobicContact CG2-CG2 3.68Å
44D93.1Very high89.1Confident7 Ų733 Ų334%0.03719%0.191CC..  trans-141.2178.5168.771.32.4000108.3L9 S46 L47 W136L9-D44 WeakPolarHBondContact CB-OD2 3.38Å; L9-D44 HydrophobicContact CD1-CB 4.06Å; L9-D44 HydrophobicContact CG-CB 4.32Å; L9-D44 WeakPolarHBondContact CG-OD2 3.31Å; L9-D44 PolarHBondContact N-OD2 3.3Å; D44-S46 VanDerWaalsContact CG-OG 3.25Å; D44-S46 PolarHBondContact O-N 3.44Å; D44-S46 WeakPolarHBondContact OD1-CA 3.29Å; D44-S46 VanDerWaalsContact OD1-CB 3.28Å; D44-S46 WeakPolarHBondContact OD1-CB 3.49Å; D44-S46 PolarHBondContact OD1-N 3.34Å; D44-S46 PolarHBondContact OD1-OG 3.38Å; D44-S46 PolarHBondContact OD2-OG 2.83Å; D44-L47 PolarHBondContact O-N 3.14Å; D44-L47 PolarHBondContact OD1-N 2.77Å; D44-W136 VanDerWaalsContact C-CH2 3.48Å; D44-W136 WeakPolarHBondContact O-CH2 3.45Å
45P90.2Very high89.7Confident67 Ų6730 Ų3044%0.43517%0.167SC..G310 helixtrans-57.2-28.9176.1-27.235.3000114.2L47 N48 L133 W136P45-L47 VanDerWaalsContact C-N 3.26Å; P45-L47 PolarHBondContact O-N 3.1Å; P45-N48 PolarHBondContact O-N 2.79Å; P45-L133 HydrophobicContact CG-CD2 4.25Å; P45-W136 HydrophobicContact CB-CZ2 4.33Å; P45-W136 HydrophobicContact CG-CD2 3.75Å; P45-W136 HydrophobicContact CG-CE3 4.16Å; P45-W136 HydrophobicContact CG-CG 3.99Å; P45-W136 HydrophobicContact CG-CZ2 4.28Å
46S92.2Very high90Very high28 Ų2828.7 Ų28.720%0.19616%0.158CC..G310 helixtrans-68.3-25.2-175.782.60000113.4L9 K10 D44L9-S46 PolarHBondContact N-OG 3.02Å; K10-S46 VanDerWaalsContact CB-OG 3.32Å; K10-S46 WeakPolarHBondContact CB-OG 3.26Å; K10-S46 WeakPolarHBondContact CD-O 3.43Å; K10-S46 PolarHBondContact N-OG 3.29Å; D44-S46 VanDerWaalsContact CG-OG 3.25Å; D44-S46 PolarHBondContact O-N 3.44Å; D44-S46 WeakPolarHBondContact OD1-CA 3.29Å; D44-S46 VanDerWaalsContact OD1-CB 3.28Å; D44-S46 WeakPolarHBondContact OD1-CB 3.49Å; D44-S46 PolarHBondContact OD1-N 3.34Å; D44-S46 PolarHBondContact OD1-OG 3.38Å; D44-S46 PolarHBondContact OD2-OG 2.83Å
47L86.4Confident90Very high29 Ų2928.7 Ų28.715%0.15216%0.159CC..G310 helixtrans-86.4-6.3179.5-65.4-172.9000114.2L9 K10 D44 P45 G49 D50 M52L9-L47 HydrophobicContact CB-CD1 3.87Å; L9-L47 HydrophobicContact CB-CD2 4.15Å; L9-L47 HydrophobicContact CB-CG 3.88Å; L9-L47 HydrophobicContact CD1-CD1 3.73Å; L9-L47 HydrophobicContact CD1-CG 4.37Å; L9-L47 HydrophobicContact CG-CD1 4.49Å; K10-L47 HydrophobicContact CB-CD2 4.1Å; D44-L47 PolarHBondContact O-N 3.14Å; D44-L47 PolarHBondContact OD1-N 2.77Å; P45-L47 VanDerWaalsContact C-N 3.26Å; P45-L47 PolarHBondContact O-N 3.1Å; L47-G49 VanDerWaalsContact C-N 3.28Å; L47-G49 PolarHBondContact O-N 3.02Å; L47-D50 HydrophobicContact CB-CB 4.24Å; L47-D50 WeakPolarHBondContact O-CB 3.42Å; L47-D50 PolarHBondContact O-N 3.05Å; L47-M52 HydrophobicContact CD1-CB 4.39Å
48N82.1Confident90Very high127 Ų12729.3 Ų29.368%0.67916%0.16SC*.THydrogen-bonded Turntrans46.746.7179.5-165.845.7000113.9P45 P143P45-N48 PolarHBondContact O-N 2.79Å; N48-P143 VanDerWaalsContact C-CG 3.43Å
49G69.7Low89.8Confident11 Ų1133.7 Ų33.711%0.11318%0.183CC..THydrogen-bonded Turntrans92-14.2178.900000114.8K23 L47K23-G49 PolarHBondContact NZ-O 3.33Å; L47-G49 VanDerWaalsContact C-N 3.28Å; L47-G49 PolarHBondContact O-N 3.02Å
50D79.6Confident89.7Confident90 Ų9033 Ų3348%0.48119%0.187SC..  trans-69.2-178.9169.4-1615.3000111.2T43 L47T43-D50 PolarHBondContact OG1-O 2.8Å; L47-D50 HydrophobicContact CB-CB 4.24Å; L47-D50 WeakPolarHBondContact O-CB 3.42Å; L47-D50 PolarHBondContact O-N 3.05Å
51K84.8Confident89.7Confident27 Ų2737.4 Ų37.412%0.11721%0.208CC..  trans-143.5149.1-175.675.9-171.6-159.71480113.4K23 S41 I42K23-K51 HydrophobicContact CD-CB 3.95Å; S41-K51 PolarHBondContact OG-NZ 3.31Å; S41-K51 VanDerWaalsContact OG-NZ 3.09Å; I42-K51 CarbonylContact O-C 3.43Å; I42-K51 WeakPolarHBondContact O-CA 3.47Å
52M90.4Very high89.8Confident9 Ų938.9 Ų38.94%0.04422%0.223CC..EExtended strand (participates in β ladder)trans-101.1125.3167-173.3170.9-69.400109.7L9 A12 S41 I42 L47 I81 N88L9-M52 HydrophobicContact CB-CE 4.33Å; L9-M52 HydrophobicContact CD2-CE 4.46Å; L9-M52 HydrophobicContact CD2-SD 4.07Å; L9-M52 VanDerWaalsContact O-CE 3.27Å; L9-M52 WeakPolarHBondContact O-CE 3.33Å; A12-M52 HydrophobicContact CB-CE 4.26Å; S41-M52 CarbonylContact C-O 3.59Å; S41-M52 VanDerWaalsContact CA-O 3.26Å; S41-M52 WeakPolarHBondContact CA-O 3.09Å; I42-M52 HydrophobicContact CG1-CB 4.04Å; I42-M52 PolarHBondContact N-O 3.35Å; I42-M52 PolarHBondContact O-N 2.88Å; L47-M52 HydrophobicContact CD1-CB 4.39Å; M52-I81 HydrophobicContact SD-CD1 3.86Å; M52-N88 HydrophobicContact CE-CB 4.27Å
53S91.6Very high89.7Confident35 Ų3540.9 Ų40.925%0.24523%0.234CC..EExtended strand (participates in β ladder)trans-77.6140.3173.2-60.50000109.6Q89 G90S53-Q89 CarbonylContact O-C 3.41Å; S53-Q89 VanDerWaalsContact O-CA 3.29Å; S53-Q89 WeakPolarHBondContact O-CA 3.43Å; S53-Q89 WeakPolarHBondContact O-CG 3.47Å; S53-G90 PolarHBondContact O-N 3.35Å
54C94.7Very high90Very high0 Ų041 Ų410%024%0.235CC..EExtended strand (participates in β ladder)trans-129.3143.3179.4-66.20000110.9F39 F40 I42 G90F39-C54 WeakPolarHBondContact CA-O 3.49Å; F40-C54 HydrophobicContact CD1-CB 4.35Å; F40-C54 HydrophobicContact CD2-CB 3.92Å; F40-C54 HydrophobicContact CE1-CB 4.05Å; F40-C54 HydrophobicContact CE2-CB 3.56Å; F40-C54 HydrophobicContact CG-CB 4.29Å; F40-C54 HydrophobicContact CZ-CB 3.63Å; F40-C54 PolarHBondContact N-O 3.12Å; F40-C54 PolarHBondContact O-N 3.12Å; I42-C54 VanDerWaalsContact CD1-SG 3.54Å; C54-G90 CarbonylContact C-O 3.49Å; C54-G90 WeakPolarHBondContact CA-O 3.16Å
55I94.8Very high90.1Very high34 Ų3441.1 Ų41.117%0.17424%0.236CC..EExtended strand (participates in β ladder)trans-131.5128.1170.2-171.2163.3000109.5L38 F57 G90 C91 G92L38-I55 WeakPolarHBondContact O-CA 3.49Å; I55-F57 HydrophobicContact CB-CE2 4.38Å; I55-F57 HydrophobicContact CD1-CE1 4.05Å; I55-F57 HydrophobicContact CD1-CE2 4.02Å; I55-F57 HydrophobicContact CD1-CZ 3.44Å; I55-F57 VanDerWaalsContact CD1-CZ 3.44Å; I55-F57 HydrophobicContact CG1-CD2 4.46Å; I55-F57 HydrophobicContact CG1-CE1 4.3Å; I55-F57 HydrophobicContact CG1-CE2 3.76Å; I55-F57 HydrophobicContact CG1-CZ 3.67Å; I55-F57 HydrophobicContact CG2-CE2 3.84Å; I55-F57 HydrophobicContact CG2-CZ 4.33Å; I55-G90 PolarHBondContact N-O 2.75Å; I55-C91 CarbonylContact O-C 3.56Å; I55-C91 VanDerWaalsContact O-CA 3.32Å; I55-C91 WeakPolarHBondContact O-CA 3.34Å; I55-G92 PolarHBondContact O-N 2.91Å
56V95.9Very high90.3Very high1 Ų141.2 Ų41.21%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-116.5134.1179.6176.60000109.4S37 L38 F40 L64 P65 G92 F98S37-V56 CarbonylContact C-O 3.6Å; S37-V56 VanDerWaalsContact CA-O 3.23Å; S37-V56 WeakPolarHBondContact CA-O 3.43Å; L38-V56 PolarHBondContact N-O 2.86Å; L38-V56 PolarHBondContact O-N 3.35Å; F40-V56 HydrophobicContact CE1-CB 4.36Å; F40-V56 HydrophobicContact CE1-CG2 3.56Å; F40-V56 HydrophobicContact CZ-CG2 3.91Å; V56-L64 HydrophobicContact CB-CD2 4.49Å; V56-L64 HydrophobicContact CG1-CD2 4.07Å; V56-P65 HydrophobicContact CG1-CG 4.36Å; V56-P65 HydrophobicContact CG2-CG 4.27Å; V56-G92 CarbonylContact C-O 3.56Å; V56-G92 WeakPolarHBondContact CA-O 3.37Å; V56-F98 HydrophobicContact CB-CE1 4.31Å; V56-F98 HydrophobicContact CG1-CD1 3.84Å; V56-F98 HydrophobicContact CG1-CE1 3.53Å; V56-F98 HydrophobicContact CG1-CZ 4.31Å; V56-F98 HydrophobicContact CG2-CE1 3.71Å; V56-F98 HydrophobicContact CG2-CE2 4.39Å; V56-F98 HydrophobicContact CG2-CZ 3.6Å
57F94.8Very high90.3Very high58 Ų5841 Ų4125%0.25423%0.227SC..EExtended strand (participates in β ladder)trans-114.6131.8177.4-60.5-85.7000110.8T31 Y36 I55 G92 Y93 G94T31-F57 HydrophobicContact CG2-CD1 4.18Å; T31-F57 HydrophobicContact CG2-CE1 4.17Å; Y36-F57 WeakPolarHBondContact O-CA 3.34Å; I55-F57 HydrophobicContact CB-CE2 4.38Å; I55-F57 HydrophobicContact CD1-CE1 4.05Å; I55-F57 HydrophobicContact CD1-CE2 4.02Å; I55-F57 HydrophobicContact CD1-CZ 3.44Å; I55-F57 VanDerWaalsContact CD1-CZ 3.44Å; I55-F57 HydrophobicContact CG1-CD2 4.46Å; I55-F57 HydrophobicContact CG1-CE1 4.3Å; I55-F57 HydrophobicContact CG1-CE2 3.76Å; I55-F57 HydrophobicContact CG1-CZ 3.67Å; I55-F57 HydrophobicContact CG2-CE2 3.84Å; I55-F57 HydrophobicContact CG2-CZ 4.33Å; F57-G92 PolarHBondContact N-O 2.84Å; F57-Y93 HydrophobicContact CB-CD1 4.45Å; F57-Y93 AromaticContact CD2-CD1 3.93Å; F57-Y93 HydrophobicContact CD2-CD1 3.93Å; F57-Y93 AromaticContact CD2-CE1 3.73Å; F57-Y93 HydrophobicContact CD2-CE1 3.73Å; F57-Y93 HydrophobicContact CE2-CE1 4.12Å; F57-G94 PolarHBondContact O-N 2.97Å
58H94.4Very high90.3Very high33 Ų3345.9 Ų45.915%0.15325%0.247CC..EExtended strand (participates in β ladder)trans-149.1149173.8-153.5-54.1000111.3Y36 A60 N63 L64Y36-H58 PolarHBondContact N-O 2.71Å; Y36-H58 PolarHBondContact O-N 2.92Å; H58-A60 PolarHBondContact O-N 3.33Å; H58-N63 HydrophobicContact CB-CB 4.28Å; H58-N63 VanDerWaalsContact CD2-CB 3.4Å; H58-N63 WeakPolarHBondContact CD2-CB 3.33Å; H58-N63 PolarHBondContact CE1-ND2 2.97Å; H58-N63 VanDerWaalsContact CG-CB 3.42Å; H58-N63 WeakPolarHBondContact ND1-CB 3.23Å; H58-N63 PolarHBondContact ND1-ND2 3.2Å; H58-N63 WeakPolarHBondContact NE2-CB 3.36Å; H58-L64 HydrophobicContact CB-CD2 3.89Å; H58-L64 HydrophobicContact CB-CG 4.39Å
59D92.2Very high90.2Very high97 Ų9744.5 Ų44.552%0.51924%0.239SC..SBendtrans-68.1-17.2-179-57-34.5000115.3S35S35-D59 PolarHBondContact OG-OD1 3.33Å
60A91.2Very high90.7Very high40 Ų4046.4 Ų46.433%0.33125%0.25SC..SBendtrans-131.7137.117800000109.9H58 G62 N63H58-A60 PolarHBondContact O-N 3.33Å; A60-G62 VanDerWaalsContact C-N 3.32Å; A60-G62 PolarHBondContact O-N 3.48Å; A60-N63 PolarHBondContact O-N 2.79Å; A60-N63 VanDerWaalsContact O-N 3.08Å
61E91.3Very high90.9Very high93 Ų9342.4 Ų42.444%0.43523%0.229SC..G310 helixtrans-58.5-41.7-178-172172.6175.200112.6P28 Y36 N63 L64P28-E61 HydrophobicContact CB-CG 3.91Å; P28-E61 HydrophobicContact CG-CG 4.16Å; Y36-E61 HydrophobicContact CD1-CB 3.82Å; Y36-E61 HydrophobicContact CD1-CG 4.19Å; Y36-E61 HydrophobicContact CD2-CB 4.41Å; Y36-E61 HydrophobicContact CE1-CB 3.94Å; Y36-E61 HydrophobicContact CE1-CG 4.46Å; Y36-E61 HydrophobicContact CG-CB 4.07Å; E61-N63 PolarHBondContact O-N 3.43Å; E61-N63 VanDerWaalsContact O-N 3.09Å; E61-L64 HydrophobicContact CG-CD1 4.37Å; E61-L64 WeakPolarHBondContact O-CB 3.5Å; E61-L64 WeakPolarHBondContact O-CG 2.96Å; E61-L64 PolarHBondContact O-N 2.83Å
62G91.4Very high91.2Very high31 Ų3141.2 Ų41.232%0.3223%0.225SC..G310 helixtrans-66.1-10.6178.700000115.2A60 N117A60-G62 VanDerWaalsContact C-N 3.32Å; A60-G62 PolarHBondContact O-N 3.48Å; G62-N117 WeakPolarHBondContact O-CB 3.19Å; G62-N117 PolarHBondContact O-ND2 3.17Å
63N92.7Very high91.4Very high42 Ų4240.9 Ų40.923%0.22522%0.223CC..G310 helixtrans-95.5-3.8176.4-63.6-2.2000112.6H58 A60 E61 N117 T118H58-N63 HydrophobicContact CB-CB 4.28Å; H58-N63 VanDerWaalsContact CD2-CB 3.4Å; H58-N63 WeakPolarHBondContact CD2-CB 3.33Å; H58-N63 PolarHBondContact CE1-ND2 2.97Å; H58-N63 VanDerWaalsContact CG-CB 3.42Å; H58-N63 WeakPolarHBondContact ND1-CB 3.23Å; H58-N63 PolarHBondContact ND1-ND2 3.2Å; H58-N63 WeakPolarHBondContact NE2-CB 3.36Å; A60-N63 PolarHBondContact O-N 2.79Å; A60-N63 VanDerWaalsContact O-N 3.08Å; E61-N63 PolarHBondContact O-N 3.43Å; E61-N63 VanDerWaalsContact O-N 3.09Å; N63-N117 WeakPolarHBondContact OD1-CB 3.12Å; N63-T118 HydrophobicContact CB-CG2 3.71Å; N63-T118 WeakPolarHBondContact O-CG2 3.42Å
64L95.6Very high91.7Very high2 Ų239.2 Ų39.21%0.0121%0.211CC..SBendtrans-70.8155.9170-63.8167.6000110.2P28 L38 V56 H58 E61 Q66P28-L64 HydrophobicContact CB-CD1 3.86Å; P28-L64 HydrophobicContact CG-CD1 4.26Å; L38-L64 HydrophobicContact CB-CB 4.34Å; L38-L64 HydrophobicContact CB-CD1 4.13Å; L38-L64 HydrophobicContact CB-CD2 4.03Å; L38-L64 HydrophobicContact CB-CG 4.4Å; L38-L64 HydrophobicContact CD2-CB 4.4Å; V56-L64 HydrophobicContact CB-CD2 4.49Å; V56-L64 HydrophobicContact CG1-CD2 4.07Å; H58-L64 HydrophobicContact CB-CD2 3.89Å; H58-L64 HydrophobicContact CB-CG 4.39Å; E61-L64 HydrophobicContact CG-CD1 4.37Å; E61-L64 WeakPolarHBondContact O-CB 3.5Å; E61-L64 WeakPolarHBondContact O-CG 2.96Å; E61-L64 PolarHBondContact O-N 2.83Å; L64-Q66 PolarHBondContact O-N 2.95Å; L64-Q66 PolarHBondContact O-NE2 3.17Å
65P96Very high91.8Very high9 Ų939.2 Ų39.26%0.05821%0.211CC..  trans-54.3129.2173.9-25.433.2000112.3L38 F40 V56 I67 I74 F98 A100 V102L38-P65 HydrophobicContact CD2-CB 4.13Å; L38-P65 HydrophobicContact CD2-CG 4.3Å; L38-P65 WeakPolarHBondContact CD2-O 3.14Å; F40-P65 HydrophobicContact CE1-CG 4.49Å; V56-P65 HydrophobicContact CG1-CG 4.36Å; V56-P65 HydrophobicContact CG2-CG 4.27Å; P65-I67 HydrophobicContact CB-CD1 4.4Å; P65-I67 HydrophobicContact CB-CG1 4.23Å; P65-I67 PolarHBondContact O-N 3.25Å; P65-I74 HydrophobicContact CB-CD1 3.78Å; P65-I74 HydrophobicContact CG-CD1 4.19Å; P65-F98 HydrophobicContact CG-CE1 4.18Å; P65-A100 HydrophobicContact CB-CB 4.29Å; P65-A100 HydrophobicContact CG-CB 4Å; P65-V102 HydrophobicContact CB-CG2 4.12Å
66Q93.9Very high92Very high70 Ų7037.6 Ų37.633%0.32720%0.203SC..  trans-85.561.2-175.5-60.7-61.2-58.300111.4L64 F114 K115L64-Q66 PolarHBondContact O-N 2.95Å; L64-Q66 PolarHBondContact O-NE2 3.17Å; Q66-F114 VanDerWaalsContact O-CD2 3.32Å; Q66-F114 WeakPolarHBondContact O-CD2 3.4Å; Q66-K115 WeakPolarHBondContact CG-O 3.4Å
67I92.7Very high92Very high22 Ų2237.5 Ų37.511%0.11320%0.202CC..  trans-75.6125176.7-58.1170.4000108.8V22 V25 L38 F40 P65 I74 V102V22-I67 HydrophobicContact CB-CG2 4.3Å; V22-I67 HydrophobicContact CG1-CD1 4.36Å; V22-I67 HydrophobicContact CG1-CG2 3.84Å; V22-I67 HydrophobicContact CG2-CD1 3.86Å; V22-I67 HydrophobicContact CG2-CG1 4.18Å; V22-I67 HydrophobicContact CG2-CG2 4.1Å; V25-I67 HydrophobicContact CB-CG2 3.95Å; V25-I67 HydrophobicContact CG1-CG2 3.83Å; V25-I67 HydrophobicContact CG2-CB 4.2Å; V25-I67 HydrophobicContact CG2-CD1 4.34Å; V25-I67 HydrophobicContact CG2-CG2 4.17Å; L38-I67 HydrophobicContact CD2-CD1 4.31Å; F40-I67 HydrophobicContact CB-CD1 4.01Å; F40-I67 HydrophobicContact CD1-CD1 3.96Å; F40-I67 HydrophobicContact CD2-CD1 3.86Å; F40-I67 HydrophobicContact CE1-CD1 4.36Å; F40-I67 HydrophobicContact CE2-CD1 4.29Å; F40-I67 HydrophobicContact CG-CD1 3.69Å; P65-I67 HydrophobicContact CB-CD1 4.4Å; P65-I67 HydrophobicContact CB-CG1 4.23Å; P65-I67 PolarHBondContact O-N 3.25Å; I67-I74 HydrophobicContact CD1-CD1 4.25Å; I67-I74 HydrophobicContact CG1-CD1 4.46Å; I67-V102 HydrophobicContact CG1-CG1 4.32Å; I67-V102 HydrophobicContact CG1-CG2 3.93Å
68K85.9Confident92Very high133 Ų13339.4 Ų39.458%0.57821%0.208SC*.  trans-98.8-48.7-179.6-63.8-174.8-179.6-1790111.1D72 F114K68-D72 PolarHBondContact N-OD2 2.5Å; K68-F114 HydrophobicContact CB-CE2 4.25Å; K68-F114 HydrophobicContact CD-CD1 4.37Å; K68-F114 HydrophobicContact CD-CD2 4.16Å; K68-F114 HydrophobicContact CD-CE1 4.13Å; K68-F114 HydrophobicContact CD-CE2 3.9Å; K68-F114 HydrophobicContact CD-CG 4.39Å; K68-F114 HydrophobicContact CD-CZ 3.88Å; K68-F114 HydrophobicContact CG-CD2 4.13Å; K68-F114 HydrophobicContact CG-CE2 3.93Å; K68-F114 HydrophobicContact CG-CZ 4.38Å
69N80Confident92.1Very high98 Ų9837.8 Ų37.852%0.52420%0.2SC..SBendtrans-134.8151.5-172.5-59.4-46.5000111.7D72N69-D72 PolarHBondContact N-OD2 3.15Å; N69-D72 VanDerWaalsContact O-CB 3.31Å; N69-D72 WeakPolarHBondContact O-CB 3Å; N69-D72 PolarHBondContact O-N 2.98Å
70P80.4Confident92.3Very high51 Ų5134.9 Ų34.933%0.33119%0.186SC..THydrogen-bonded Turntrans-51.6140.5155.7-2234.2000110.6
71G84.6Confident92.6Very high5 Ų533.9 Ų33.95%0.05218%0.175CC..THydrogen-bonded Turntrans95-18.8-172.700000114.3V22 G105 Y137V22-G71 PolarHBondContact O-N 3.2Å; G71-G105 WeakPolarHBondContact O-CA 3.4Å; G71-Y137 VanDerWaalsContact CA-CE1 3.5Å
72D90.7Very high92.5Very high3 Ų334 Ų342%0.01617%0.174CC..  trans-57.4148.8171.8-73.1-18.3000111.3V22 K68 N69 V102 F103 F114V22-D72 WeakPolarHBondContact CB-O 3.44Å; V22-D72 WeakPolarHBondContact CG2-O 3.45Å; V22-D72 PolarHBondContact N-O 3.1Å; K68-D72 PolarHBondContact N-OD2 2.5Å; N69-D72 PolarHBondContact N-OD2 3.15Å; N69-D72 VanDerWaalsContact O-CB 3.31Å; N69-D72 WeakPolarHBondContact O-CB 3Å; N69-D72 PolarHBondContact O-N 2.98Å; D72-V102 HydrophobicContact CB-CG1 3.86Å; D72-F103 WeakPolarHBondContact CA-O 3.34Å; D72-F114 WeakPolarHBondContact OD2-CE2 3.07Å
73I95.4Very high92.2Very high1 Ų139.5 Ų39.51%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-107.9129.7-177.8-58.6170.8000108.9I19 A20 I21 V102 F103 I130 L133 R134I19-I73 HydrophobicContact CG2-CG2 3.99Å; A20-I73 WeakPolarHBondContact O-CA 3.46Å; I21-I73 HydrophobicContact CG1-CG1 4.27Å; I73-V102 CarbonylContact O-C 3.59Å; I73-V102 WeakPolarHBondContact O-CA 3.42Å; I73-F103 PolarHBondContact N-O 3.33Å; I73-F103 PolarHBondContact O-N 3.06Å; I73-I130 HydrophobicContact CB-CG2 4.42Å; I73-I130 HydrophobicContact CD1-CG2 3.82Å; I73-I130 WeakPolarHBondContact CD1-O 3.45Å; I73-I130 HydrophobicContact CG2-CB 4.45Å; I73-I130 HydrophobicContact CG2-CG1 3.87Å; I73-I130 HydrophobicContact CG2-CG2 4.34Å; I73-L133 HydrophobicContact CD1-CB 3.9Å; I73-L133 HydrophobicContact CG2-CD1 3.97Å; I73-R134 HydrophobicContact CD1-CB 4.37Å; I73-R134 HydrophobicContact CD1-CG 3.39Å
74I97.6Very high91.3Very high0 Ų044 Ų440%021%0.206CC..EExtended strand (participates in β ladder)trans-118.9126.2-176.5-169.1173.7000110.9I19 A20 V22 F40 I42 P65 I67 M76 A100 A101 V102I19-I74 WeakPolarHBondContact CA-O 3.08Å; A20-I74 PolarHBondContact N-O 3.21Å; A20-I74 PolarHBondContact O-N 3.23Å; V22-I74 HydrophobicContact CG2-CB 4.31Å; V22-I74 HydrophobicContact CG2-CG2 3.98Å; F40-I74 HydrophobicContact CE2-CD1 4.16Å; F40-I74 HydrophobicContact CZ-CD1 4.1Å; I42-I74 HydrophobicContact CG2-CG2 3.96Å; P65-I74 HydrophobicContact CB-CD1 3.78Å; P65-I74 HydrophobicContact CG-CD1 4.19Å; I67-I74 HydrophobicContact CD1-CD1 4.25Å; I67-I74 HydrophobicContact CG1-CD1 4.46Å; I74-M76 HydrophobicContact CD1-CG 3.83Å; I74-M76 HydrophobicContact CD1-SD 3.99Å; I74-M76 HydrophobicContact CG1-CG 3.82Å; I74-M76 HydrophobicContact CG1-SD 4.46Å; I74-M76 HydrophobicContact CG2-CE 3.84Å; I74-A100 HydrophobicContact CD1-CB 4.03Å; I74-A100 HydrophobicContact CG1-CB 4.15Å; I74-A101 WeakPolarHBondContact CA-O 3.42Å; I74-V102 HydrophobicContact CB-CG2 4.41Å; I74-V102 HydrophobicContact CD1-CG2 4.03Å; I74-V102 HydrophobicContact CG1-CG2 3.93Å
75I97.5Very high90.2Very high0 Ų050.7 Ų50.70%024%0.242CC..EExtended strand (participates in β ladder)trans-88.8130.2163.3-57.7-178.3000107.1Y6 I19 A100 A101 F103 F122 E126 I130Y6-I75 HydrophobicContact CE1-CG2 3.95Å; I19-I75 HydrophobicContact CD1-CG1 4.29Å; I19-I75 HydrophobicContact CG1-CG1 4.11Å; I19-I75 HydrophobicContact CG1-CG2 4.39Å; I19-I75 HydrophobicContact CG2-CG1 4.12Å; I75-A100 CarbonylContact O-C 3.51Å; I75-A100 WeakPolarHBondContact O-CA 3.12Å; I75-A100 WeakPolarHBondContact O-CB 3.28Å; I75-A101 PolarHBondContact N-O 2.91Å; I75-A101 PolarHBondContact O-N 2.86Å; I75-F103 HydrophobicContact CD1-CE2 3.76Å; I75-F103 HydrophobicContact CD1-CZ 4.32Å; I75-F103 HydrophobicContact CG1-CE2 4.11Å; I75-F122 HydrophobicContact CD1-CB 3.63Å; I75-F122 HydrophobicContact CD1-CD1 4.24Å; I75-F122 HydrophobicContact CD1-CG 3.94Å; I75-E126 HydrophobicContact CD1-CB 3.86Å; I75-E126 HydrophobicContact CD1-CG 4.34Å; I75-I130 HydrophobicContact CD1-CD1 3.82Å; I75-I130 HydrophobicContact CG1-CD1 4.13Å
76M97.2Very high89.3Confident0 Ų053.1 Ų53.10%027%0.269CS..EExtended strand (participates in β ladder)trans-130133.8175-68.4178.7-77.800111.1N17 V18 F40 I42 I74 L79 F98 A100N17-M76 CarbonylContact C-O 3.58Å; N17-M76 VanDerWaalsContact CA-O 3.23Å; N17-M76 WeakPolarHBondContact CA-O 3.39Å; V18-M76 HydrophobicContact CG2-CB 3.99Å; V18-M76 HydrophobicContact CG2-CE 3.49Å; V18-M76 VanDerWaalsContact CG2-CE 3.49Å; V18-M76 PolarHBondContact N-O 3.37Å; V18-M76 PolarHBondContact O-N 3.37Å; F40-M76 HydrophobicContact CE2-CE 4.25Å; F40-M76 HydrophobicContact CE2-SD 3.98Å; F40-M76 HydrophobicContact CZ-SD 3.76Å; I42-M76 HydrophobicContact CD1-CE 3.38Å; I42-M76 HydrophobicContact CG2-CE 4.33Å; I74-M76 HydrophobicContact CD1-CG 3.83Å; I74-M76 HydrophobicContact CD1-SD 3.99Å; I74-M76 HydrophobicContact CG1-CG 3.82Å; I74-M76 HydrophobicContact CG1-SD 4.46Å; I74-M76 HydrophobicContact CG2-CE 3.84Å; M76-L79 HydrophobicContact CE-CD2 4.14Å; M76-L79 HydrophobicContact SD-CD1 4.16Å; M76-L79 HydrophobicContact SD-CD2 4.36Å; M76-F98 HydrophobicContact CB-CE2 3.96Å; M76-F98 HydrophobicContact CB-CZ 4.27Å; M76-F98 HydrophobicContact CG-CE2 4.02Å; M76-F98 HydrophobicContact CG-CZ 3.86Å; M76-F98 HydrophobicContact SD-CE2 4.1Å; M76-F98 HydrophobicContact SD-CZ 3.95Å; M76-A100 HydrophobicContact CG-CB 4.04Å
77H96Very high88.6Confident0 Ų057.7 Ų57.70%028%0.283CS..EExtended strand (participates in β ladder)trans-109.9143.1173.4-63.8175.5000111Y4 Y6 N17 L79 F98 S99 T121Y4-H77 AromaticContact CD2-CE1 3.44Å; Y4-H77 VanDerWaalsContact CD2-CE1 3.44Å; Y4-H77 WeakPolarHBondContact CD2-CE1 3.22Å; Y4-H77 AromaticContact CD2-NE2 3.99Å; Y4-H77 AromaticContact CE1-ND1 3.76Å; Y4-H77 AromaticContact CE2-CE1 3.49Å; Y4-H77 VanDerWaalsContact CE2-CE1 3.49Å; Y4-H77 WeakPolarHBondContact CE2-CE1 3.29Å; Y4-H77 AromaticContact CE2-ND1 3.71Å; Y4-H77 AromaticContact CG-CE1 3.77Å; Y4-H77 AromaticContact CG-NE2 3.96Å; Y4-H77 AromaticContact CZ-CE1 3.84Å; Y4-H77 AromaticContact CZ-ND1 3.56Å; Y6-H77 AromaticContact CE1-CD2 4Å; Y6-H77 AromaticContact CE1-NE2 3.87Å; Y6-H77 AromaticContact CZ-NE2 3.68Å; Y6-H77 PolarHBondContact OH-NE2 2.95Å; N17-H77 VanDerWaalsContact OD1-CA 3.25Å; N17-H77 WeakPolarHBondContact OD1-CA 2.95Å; H77-L79 PolarHBondContact O-N 2.99Å; H77-F98 VanDerWaalsContact O-CD2 3.29Å; H77-F98 WeakPolarHBondContact O-CD2 3.44Å; H77-S99 PolarHBondContact N-O 3.1Å; H77-S99 PolarHBondContact O-N 3.09Å; H77-T121 PolarHBondContact CE1-O 2.92Å
78R95.7Very high88.3Confident97 Ų9760.6 Ų60.637%0.36630%0.299SS..EExtended strand (participates in β ladder)trans56.839.5176.7-52.5163.4-162.7148.81.2112Y4 V16 N17 V80 G97Y4-R78 PolarHBondContact OH-NH2 3.06Å; Y4-R78 VanDerWaalsContact OH-NH2 3.1Å; V16-R78 PolarHBondContact O-N 3.45Å; N17-R78 PolarHBondContact OD1-N 3.32Å; R78-V80 PolarHBondContact O-N 3.02Å; R78-G97 WeakPolarHBondContact CD-O 3.37Å; R78-G97 PolarHBondContact NH1-O 3.24Å
79L96.8Very high88.7Confident0 Ų055.8 Ų55.80%028%0.278CS..EExtended strand (participates in β ladder)trans-72.8122171.6-176.671.6000108.5S15 V16 V18 M76 H77 I81 F98S15-L79 WeakPolarHBondContact CA-O 3.44Å; V16-L79 HydrophobicContact CG2-CB 4.33Å; V16-L79 WeakPolarHBondContact CG2-O 3.35Å; V16-L79 PolarHBondContact N-O 3.17Å; V16-L79 PolarHBondContact O-N 3.01Å; V18-L79 HydrophobicContact CG2-CD2 3.78Å; M76-L79 HydrophobicContact CE-CD2 4.14Å; M76-L79 HydrophobicContact SD-CD1 4.16Å; M76-L79 HydrophobicContact SD-CD2 4.36Å; H77-L79 PolarHBondContact O-N 2.99Å; L79-I81 HydrophobicContact CD2-CD1 3.9Å; L79-I81 HydrophobicContact CG-CD1 4.12Å; L79-F98 HydrophobicContact CB-CE2 4.41Å; L79-F98 HydrophobicContact CD1-CE2 3.88Å
80V96.6Very high89.4Confident36 Ų3651.1 Ų51.122%0.21825%0.253CS..EExtended strand (participates in β ladder)trans-92.7114.6-178.8-177.10000109.4R78 K82 C91 Y93R78-V80 PolarHBondContact O-N 3.02Å; V80-K82 HydrophobicContact CG1-CG 4.15Å; V80-C91 WeakPolarHBondContact CB-O 3.35Å; V80-C91 PolarHBondContact N-O 2.93Å; V80-C91 WeakPolarHBondContact O-CB 3.41Å; V80-C91 PolarHBondContact O-N 2.96Å; V80-Y93 HydrophobicContact CB-CE2 4.35Å; V80-Y93 HydrophobicContact CG2-CD2 4.32Å; V80-Y93 HydrophobicContact CG2-CE2 4.45Å
81I95.7Very high90.1Very high19 Ų1948.9 Ų48.910%0.09724%0.239CC..EExtended strand (participates in β ladder)trans-81.7121.7176.7-49.7-53.7000109.6A12 G14 V16 M52 L79 N88 Q89A12-I81 HydrophobicContact CB-CD1 4.16Å; A12-I81 HydrophobicContact CB-CG1 3.95Å; G14-I81 PolarHBondContact O-N 2.96Å; V16-I81 HydrophobicContact CG2-CD1 3.91Å; V16-I81 HydrophobicContact CG2-CG1 3.82Å; M52-I81 HydrophobicContact SD-CD1 3.86Å; L79-I81 HydrophobicContact CD2-CD1 3.9Å; L79-I81 HydrophobicContact CG-CD1 4.12Å; I81-N88 HydrophobicContact CG2-CB 3.95Å; I81-Q89 WeakPolarHBondContact CA-O 3.47Å
82K91.1Very high90.6Very high95 Ų9548.7 Ų48.741%0.41324%0.237SC..EExtended strand (participates in β ladder)trans-123.7156.9176.5-64.9-173175.8179.60110.2V80 Q89 C91 Y93V80-K82 HydrophobicContact CG1-CG 4.15Å; K82-Q89 PolarHBondContact N-O 2.94Å; K82-Q89 PolarHBondContact O-N 3.29Å; K82-C91 HydrophobicContact CD-CB 4.5Å; K82-Y93 PolarHBondContact NZ-OH 3.14Å
83Q83.8Confident90.8Very high147 Ų14751.5 Ų51.569%0.68725%0.248SC*.EExtended strand (participates in β ladder)trans-89.3128172.3-156.2175.21900109.7R87Q83-R87 WeakPolarHBondContact CA-O 3.37Å
84Y73.8Confident90.5Very high137 Ų13752.3 Ų52.354%0.53726%0.256SS..EExtended strand (participates in β ladder)trans-134.9123.1176-176.6-96.2000109.2G86 R87Y84-G86 PolarHBondContact O-N 3.42Å; Y84-R87 PolarHBondContact N-O 3.28Å; Y84-R87 PolarHBondContact O-N 3.17Å
85N72.6Confident90.1Very high142 Ų14256.9 Ų56.976%0.75929%0.294SS*.THydrogen-bonded Turntrans4745.6-174.4-68.2-3.3000113.2R87N85-R87 PolarHBondContact O-N 3.49Å
86G77.1Confident89.6Confident60 Ų6061.1 Ų61.162%0.61932%0.32SS*.THydrogen-bonded Turntrans75.5-4.2179.300000115.7Y84Y84-G86 PolarHBondContact O-N 3.42Å
87R79.1Confident89.3Confident165 Ų16562.5 Ų62.562%0.62333%0.334SS*.EExtended strand (participates in β ladder)trans-110.7151178.7-63-171.1-177.5-153.6-0.4112Q83 Y84 N85Q83-R87 WeakPolarHBondContact CA-O 3.37Å; Y84-R87 PolarHBondContact N-O 3.28Å; Y84-R87 PolarHBondContact O-N 3.17Å; N85-R87 PolarHBondContact O-N 3.49Å
88N87.5Confident89.3Confident84 Ų8463.2 Ų63.245%0.44934%0.337SS..EExtended strand (participates in β ladder)trans-70.9130.1172.3-69.7-5.8000110.1M52 I81M52-N88 HydrophobicContact CE-CB 4.27Å; I81-N88 HydrophobicContact CG2-CB 3.95Å
89Q92.8Very high89.2Confident31 Ų3159.3 Ų59.315%0.14532%0.324CS..EExtended strand (participates in β ladder)trans-127.9132.1178.2178.4178.379.400109.1S53 I81 K82S53-Q89 CarbonylContact O-C 3.41Å; S53-Q89 VanDerWaalsContact O-CA 3.29Å; S53-Q89 WeakPolarHBondContact O-CA 3.43Å; S53-Q89 WeakPolarHBondContact O-CG 3.47Å; I81-Q89 WeakPolarHBondContact CA-O 3.47Å; K82-Q89 PolarHBondContact N-O 2.94Å; K82-Q89 PolarHBondContact O-N 3.29Å
90G94.9Very high89.2Confident0 Ų059.4 Ų59.40%033%0.326CS..EExtended strand (participates in β ladder)trans-81130.5172.400000111.4S53 C54 I55S53-G90 PolarHBondContact O-N 3.35Å; C54-G90 CarbonylContact C-O 3.49Å; C54-G90 WeakPolarHBondContact CA-O 3.16Å; I55-G90 PolarHBondContact N-O 2.75Å
91C95.5Very high89.2Confident5 Ų558 Ų583%0.03432%0.318CS..EExtended strand (participates in β ladder)trans-120.2114.7177.5-67.50000109.5I55 V80 K82 Y93I55-C91 CarbonylContact O-C 3.56Å; I55-C91 VanDerWaalsContact O-CA 3.32Å; I55-C91 WeakPolarHBondContact O-CA 3.34Å; V80-C91 WeakPolarHBondContact CB-O 3.35Å; V80-C91 PolarHBondContact N-O 2.93Å; V80-C91 WeakPolarHBondContact O-CB 3.41Å; V80-C91 PolarHBondContact O-N 2.96Å; K82-C91 HydrophobicContact CD-CB 4.5Å; C91-Y93 HydrophobicContact CB-CE2 3.64Å
92G95.4Very high89.3Confident0 Ų057.4 Ų57.40%032%0.315CS..EExtended strand (participates in β ladder)trans-97.6128.5172.800000110.9I55 V56 F57 F98I55-G92 PolarHBondContact O-N 2.91Å; V56-G92 CarbonylContact C-O 3.56Å; V56-G92 WeakPolarHBondContact CA-O 3.37Å; F57-G92 PolarHBondContact N-O 2.84Å; G92-F98 VanDerWaalsContact CA-CD2 3.42Å
93Y94.3Very high89.5Confident63 Ų6352.9 Ų52.925%0.24730%0.295CS..EExtended strand (participates in β ladder)trans-121.5111.2177.8-56.8-76.2000109.8F57 V80 K82 C91 A95 T96 F98F57-Y93 HydrophobicContact CB-CD1 4.45Å; F57-Y93 AromaticContact CD2-CD1 3.93Å; F57-Y93 HydrophobicContact CD2-CD1 3.93Å; F57-Y93 AromaticContact CD2-CE1 3.73Å; F57-Y93 HydrophobicContact CD2-CE1 3.73Å; F57-Y93 HydrophobicContact CE2-CE1 4.12Å; V80-Y93 HydrophobicContact CB-CE2 4.35Å; V80-Y93 HydrophobicContact CG2-CD2 4.32Å; V80-Y93 HydrophobicContact CG2-CE2 4.45Å; K82-Y93 PolarHBondContact NZ-OH 3.14Å; C91-Y93 HydrophobicContact CB-CE2 3.64Å; Y93-A95 PolarHBondContact O-N 2.89Å; Y93-T96 WeakPolarHBondContact CB-OG1 3.48Å; Y93-T96 PolarHBondContact O-N 2.75Å; Y93-T96 PolarHBondContact O-OG1 2.73Å; Y93-F98 WeakPolarHBondContact O-CB 3.45Å; Y93-F98 PolarHBondContact O-N 3.09Å; Y93-F98 VanDerWaalsContact O-N 3.16Å
94G89.6Confident89.8Confident17 Ų1746.3 Ų46.318%0.17527%0.265CS..G310 helixtrans-55.2-38.8177.800000112.5F57 T96 G97F57-G94 PolarHBondContact O-N 2.97Å; G94-T96 PolarHBondContact O-N 3.09Å; G94-G97 PolarHBondContact O-N 3.43Å
95A88.2Confident90.3Very high97 Ų9740.2 Ų40.280%0.80225%0.245SC*.G310 helixtrans-61.5-24.9178.100000114.5Y93Y93-A95 PolarHBondContact O-N 2.89Å
96T88.7Confident90.6Very high89 Ų8936.9 Ų36.955%0.54623%0.229SC..G310 helixtrans-101.718.1177.167.90000112.2Y93 G94Y93-T96 WeakPolarHBondContact CB-OG1 3.48Å; Y93-T96 PolarHBondContact O-N 2.75Å; Y93-T96 PolarHBondContact O-OG1 2.73Å; G94-T96 PolarHBondContact O-N 3.09Å
97G90.5Very high90.7Very high29 Ų2940.2 Ų40.230%0.29922%0.223SC..THydrogen-bonded Turntrans79.620.3176.700000114.9R78 G94 S99R78-G97 WeakPolarHBondContact CD-O 3.37Å; R78-G97 PolarHBondContact NH1-O 3.24Å; G94-G97 PolarHBondContact O-N 3.43Å; G97-S99 PolarHBondContact O-N 3.13Å
98F95.3Very high90.7Very high15 Ų1539.8 Ų39.87%0.06623%0.232CC..  trans-55.3134.5168173.4-93.4000110.3V56 P65 M76 H77 L79 G92 Y93 A100V56-F98 HydrophobicContact CB-CE1 4.31Å; V56-F98 HydrophobicContact CG1-CD1 3.84Å; V56-F98 HydrophobicContact CG1-CE1 3.53Å; V56-F98 HydrophobicContact CG1-CZ 4.31Å; V56-F98 HydrophobicContact CG2-CE1 3.71Å; V56-F98 HydrophobicContact CG2-CE2 4.39Å; V56-F98 HydrophobicContact CG2-CZ 3.6Å; P65-F98 HydrophobicContact CG-CE1 4.18Å; M76-F98 HydrophobicContact CB-CE2 3.96Å; M76-F98 HydrophobicContact CB-CZ 4.27Å; M76-F98 HydrophobicContact CG-CE2 4.02Å; M76-F98 HydrophobicContact CG-CZ 3.86Å; M76-F98 HydrophobicContact SD-CE2 4.1Å; M76-F98 HydrophobicContact SD-CZ 3.95Å; H77-F98 VanDerWaalsContact O-CD2 3.29Å; H77-F98 WeakPolarHBondContact O-CD2 3.44Å; L79-F98 HydrophobicContact CB-CE2 4.41Å; L79-F98 HydrophobicContact CD1-CE2 3.88Å; G92-F98 VanDerWaalsContact CA-CD2 3.42Å; Y93-F98 WeakPolarHBondContact O-CB 3.45Å; Y93-F98 PolarHBondContact O-N 3.09Å; Y93-F98 VanDerWaalsContact O-N 3.16Å; F98-A100 HydrophobicContact CE1-CB 4.07Å; F98-A100 HydrophobicContact CZ-CB 4.08Å
99S94.6Very high90.6Very high14 Ų1438.9 Ų38.910%0.09823%0.228CC..EExtended strand (participates in β ladder)trans-139.6146175.361.60000110.5H77 G97H77-S99 PolarHBondContact N-O 3.1Å; H77-S99 PolarHBondContact O-N 3.09Å; G97-S99 PolarHBondContact O-N 3.13Å
100A96.6Very high90.3Very high3 Ų341.5 Ų41.53%0.02525%0.248CC..EExtended strand (participates in β ladder)trans-139.5149.2177.500000112.6P65 I74 I75 M76 F98 C120P65-A100 HydrophobicContact CB-CB 4.29Å; P65-A100 HydrophobicContact CG-CB 4Å; I74-A100 HydrophobicContact CD1-CB 4.03Å; I74-A100 HydrophobicContact CG1-CB 4.15Å; I75-A100 CarbonylContact O-C 3.51Å; I75-A100 WeakPolarHBondContact O-CA 3.12Å; I75-A100 WeakPolarHBondContact O-CB 3.28Å; M76-A100 HydrophobicContact CG-CB 4.04Å; F98-A100 HydrophobicContact CE1-CB 4.07Å; F98-A100 HydrophobicContact CZ-CB 4.08Å; A100-C120 WeakPolarHBondContact O-CB 3.42Å
101A96.6Very high90.1Very high7 Ų744.3 Ų44.36%0.05826%0.262CS..EExtended strand (participates in β ladder)trans-124.9132.2167.900000108.5I74 I75 F103 P113 C120 F122I74-A101 WeakPolarHBondContact CA-O 3.42Å; I75-A101 PolarHBondContact N-O 2.91Å; I75-A101 PolarHBondContact O-N 2.86Å; A101-F103 HydrophobicContact CB-CE2 3.89Å; A101-P113 HydrophobicContact CB-CB 4.14Å; A101-C120 HydrophobicContact CB-CB 3.91Å; A101-F122 HydrophobicContact CB-CD1 4.08Å; A101-F122 HydrophobicContact CB-CE1 3.97Å
102V97.4Very high90Very high5 Ų548.2 Ų48.23%0.0329%0.286CS..EExtended strand (participates in β ladder)trans-111.4136-179.7-173.10000108.8P65 I67 D72 I73 I74 P113 F114P65-V102 HydrophobicContact CB-CG2 4.12Å; I67-V102 HydrophobicContact CG1-CG1 4.32Å; I67-V102 HydrophobicContact CG1-CG2 3.93Å; D72-V102 HydrophobicContact CB-CG1 3.86Å; I73-V102 CarbonylContact O-C 3.59Å; I73-V102 WeakPolarHBondContact O-CA 3.42Å; I74-V102 HydrophobicContact CB-CG2 4.41Å; I74-V102 HydrophobicContact CD1-CG2 4.03Å; I74-V102 HydrophobicContact CG1-CG2 3.93Å; V102-P113 CarbonylContact O-C 3.55Å; V102-P113 WeakPolarHBondContact O-CA 3.35Å; V102-F114 HydrophobicContact CB-CD2 3.98Å; V102-F114 HydrophobicContact CG1-CD2 3.73Å; V102-F114 HydrophobicContact CG1-CE2 3.94Å; V102-F114 PolarHBondContact O-N 2.84Å
103F96.3Very high89.9Confident0 Ų050.6 Ų50.60%030%0.301CS..EExtended strand (participates in β ladder)trans-120.8149.8178.9-65-104.4000109.1D72 I73 I75 A101 G105 T112 P113 F122 L127 I130D72-F103 WeakPolarHBondContact CA-O 3.34Å; I73-F103 PolarHBondContact N-O 3.33Å; I73-F103 PolarHBondContact O-N 3.06Å; I75-F103 HydrophobicContact CD1-CE2 3.76Å; I75-F103 HydrophobicContact CD1-CZ 4.32Å; I75-F103 HydrophobicContact CG1-CE2 4.11Å; A101-F103 HydrophobicContact CB-CE2 3.89Å; F103-G105 PolarHBondContact O-N 3.38Å; F103-T112 VanDerWaalsContact CD1-C 3.5Å; F103-P113 HydrophobicContact CD1-CB 4.31Å; F103-P113 HydrophobicContact CD2-CB 4.37Å; F103-P113 HydrophobicContact CE1-CB 3.97Å; F103-P113 HydrophobicContact CE1-CG 4.31Å; F103-P113 VanDerWaalsContact CE1-N 3.34Å; F103-P113 HydrophobicContact CE2-CB 4Å; F103-P113 HydrophobicContact CZ-CB 3.79Å; F103-P113 HydrophobicContact CZ-CG 4.21Å; F103-F122 HydrophobicContact CE1-CE2 4.32Å; F103-F122 HydrophobicContact CE1-CZ 4.39Å; F103-F122 HydrophobicContact CZ-CD1 4.31Å; F103-F122 HydrophobicContact CZ-CD2 4.1Å; F103-F122 AromaticContact CZ-CE1 3.99Å; F103-F122 HydrophobicContact CZ-CE1 3.99Å; F103-F122 AromaticContact CZ-CE2 3.75Å; F103-F122 HydrophobicContact CZ-CE2 3.75Å; F103-F122 HydrophobicContact CZ-CG 4.39Å; F103-F122 AromaticContact CZ-CZ 3.71Å; F103-F122 HydrophobicContact CZ-CZ 3.71Å; F103-L127 HydrophobicContact CE1-CD2 3.83Å; F103-L127 HydrophobicContact CZ-CD2 4.09Å; F103-I130 HydrophobicContact CB-CG2 4.38Å; F103-I130 HydrophobicContact CD1-CD1 4.04Å; F103-I130 HydrophobicContact CD2-CD1 3.5Å; F103-I130 VanDerWaalsContact CD2-CD1 3.5Å; F103-I130 HydrophobicContact CE1-CD1 3.97Å; F103-I130 HydrophobicContact CE2-CD1 3.45Å; F103-I130 VanDerWaalsContact CE2-CD1 3.45Å; F103-I130 HydrophobicContact CG-CD1 3.81Å; F103-I130 HydrophobicContact CZ-CD1 3.69Å
104S88.6Confident89.9Confident9 Ų949.5 Ų49.56%0.06330%0.298CS..  trans-58.3138.1171.1179.40000110.9V106 D109 R134S104-V106 VanDerWaalsContact C-N 3.26Å; S104-V106 PolarHBondContact OG-N 3.24Å; S104-D109 WeakPolarHBondContact CB-OD2 3.2Å; S104-D109 PolarHBondContact OG-OD2 3.12Å; S104-R134 VanDerWaalsContact O-CZ 3.26Å; S104-R134 PolarHBondContact O-NE 3.08Å; S104-R134 PolarHBondContact O-NH2 2.73Å
105G84.4Confident90Very high10 Ų1058 Ų5810%0.10333%0.33CS..  trans-74.1-13.717200000114.4G71 F103 R107G71-G105 WeakPolarHBondContact O-CA 3.4Å; F103-G105 PolarHBondContact O-N 3.38Å; G105-R107 PolarHBondContact O-N 2.78Å
106V80.1Confident90.1Very high72 Ų7255.1 Ų55.144%0.43630%0.304SS..  trans-71.2129-175179.90000110.4S104 L108 D109 R134S104-V106 VanDerWaalsContact C-N 3.26Å; S104-V106 PolarHBondContact OG-N 3.24Å; V106-L108 VanDerWaalsContact C-N 3.29Å; V106-L108 PolarHBondContact O-N 3.16Å; V106-D109 HydrophobicContact CB-CB 4.09Å; V106-D109 PolarHBondContact O-N 3.35Å; V106-R134 VanDerWaalsContact O-CZ 3.28Å; V106-R134 PolarHBondContact O-NE 2.76Å; V106-R134 PolarHBondContact O-NH1 2.98Å
107R77.5Confident90.1Very high129 Ų12956.2 Ų56.249%0.48731%0.307SS..THydrogen-bonded Turntrans-54.6-42.8-176.6-171.6-173176.9114.917112.7G105 E135 I138G105-R107 PolarHBondContact O-N 2.78Å; R107-E135 IonicContact CZ-OE1 3.21Å; R107-E135 IonicContact NH1-OE1 2.7Å; R107-E135 IonicContact NH2-OE1 3.16Å; R107-E135 PolarHBondContact NH2-OE1 3.21Å; R107-I138 HydrophobicContact CB-CD1 4.2Å; R107-I138 HydrophobicContact CG-CD1 4.19Å
108L79.3Confident90Very high156 Ų15656.3 Ų56.382%0.81730%0.301SS*.THydrogen-bonded Turntrans-84.8-11.8-174.5-64.6174.9000113.9V106V106-L108 VanDerWaalsContact C-N 3.29Å; V106-L108 PolarHBondContact O-N 3.16Å
109D85.4Confident89.6Confident65 Ų6567.1 Ų67.135%0.34834%0.342SS..SBendtrans-71.1147.5179.5-80.22.9000110.5S104 V106 R134S104-D109 WeakPolarHBondContact CB-OD2 3.2Å; S104-D109 PolarHBondContact OG-OD2 3.12Å; V106-D109 HydrophobicContact CB-CB 4.09Å; V106-D109 PolarHBondContact O-N 3.35Å; D109-R134 PolarHBondContact O-NH1 2.66Å; D109-R134 PolarHBondContact O-NH2 3.11Å
110P87.3Confident89.5Confident87 Ų8767.2 Ų67.257%0.56534%0.342SS*.  trans-53.3145.8175.9-25.534000112.5T112 R134P110-T112 HydrophobicContact CB-CG2 4.17Å; P110-T112 PolarHBondContact O-N 3Å; P110-R134 PolarHBondContact O-NH2 2.91Å
111L91.3Very high89.3Confident58 Ų5870.7 Ų70.730%0.30436%0.363SS..SBendtrans-76.649.9172-72.5172.7000111.2L127 I130L111-L127 HydrophobicContact CB-CD2 4.36Å; L111-I130 HydrophobicContact CD2-CB 4.38Å; L111-I130 HydrophobicContact CD2-CG2 3.63Å
112T92.4Very high89.1Confident88 Ų8873.6 Ų73.654%0.5438%0.375SS..  trans-114.2133.917755.60000109.5F103 P110F103-T112 VanDerWaalsContact CD1-C 3.5Å; P110-T112 HydrophobicContact CB-CG2 4.17Å; P110-T112 PolarHBondContact O-N 3Å
113P94.4Very high88.8Confident49 Ų4974.8 Ų74.832%0.31839%0.388SS..BIsolated β-bridgetrans-68.6152178.232.1-37.6000110.7A101 V102 F103 F122A101-P113 HydrophobicContact CB-CB 4.14Å; V102-P113 CarbonylContact O-C 3.55Å; V102-P113 WeakPolarHBondContact O-CA 3.35Å; F103-P113 HydrophobicContact CD1-CB 4.31Å; F103-P113 HydrophobicContact CD2-CB 4.37Å; F103-P113 HydrophobicContact CE1-CB 3.97Å; F103-P113 HydrophobicContact CE1-CG 4.31Å; F103-P113 VanDerWaalsContact CE1-N 3.34Å; F103-P113 HydrophobicContact CE2-CB 4Å; F103-P113 HydrophobicContact CZ-CB 3.79Å; F103-P113 HydrophobicContact CZ-CG 4.21Å; P113-F122 HydrophobicContact CB-CE1 4.5Å; P113-F122 HydrophobicContact CB-CZ 4.45Å; P113-F122 HydrophobicContact CG-CE1 4Å; P113-F122 HydrophobicContact CG-CZ 3.67Å
114F93.8Very high88.6Confident41 Ų4180.5 Ų80.518%0.1842%0.418CS..PPolyproline II helixtrans-59.5146.6167.2-60.4-38.3000110.7Q66 K68 D72 V102 S116Q66-F114 VanDerWaalsContact O-CD2 3.32Å; Q66-F114 WeakPolarHBondContact O-CD2 3.4Å; K68-F114 HydrophobicContact CB-CE2 4.25Å; K68-F114 HydrophobicContact CD-CD1 4.37Å; K68-F114 HydrophobicContact CD-CD2 4.16Å; K68-F114 HydrophobicContact CD-CE1 4.13Å; K68-F114 HydrophobicContact CD-CE2 3.9Å; K68-F114 HydrophobicContact CD-CG 4.39Å; K68-F114 HydrophobicContact CD-CZ 3.88Å; K68-F114 HydrophobicContact CG-CD2 4.13Å; K68-F114 HydrophobicContact CG-CE2 3.93Å; K68-F114 HydrophobicContact CG-CZ 4.38Å; D72-F114 WeakPolarHBondContact OD2-CE2 3.07Å; V102-F114 HydrophobicContact CB-CD2 3.98Å; V102-F114 HydrophobicContact CG1-CD2 3.73Å; V102-F114 HydrophobicContact CG1-CE2 3.94Å; V102-F114 PolarHBondContact O-N 2.84Å; F114-S116 PolarHBondContact O-N 3.31Å
115K91.8Very high88.7Confident195 Ų19583.8 Ų83.885%0.84843%0.433SS*.PPolyproline II helixtrans-57124.9177-173.9179180-178.30109.5Q66Q66-K115 WeakPolarHBondContact CG-O 3.4Å
116S90.3Very high89.3Confident37 Ų3784 Ų8426%0.25943%0.431SS..  trans-135.3150.4178.6177.70000110.1F114 T118F114-S116 PolarHBondContact O-N 3.31Å; S116-T118 VanDerWaalsContact C-N 3.32Å; S116-T118 PolarHBondContact OG-N 3.25Å; S116-T118 PolarHBondContact OG-OG1 3.33Å; S116-T118 VanDerWaalsContact OG-OG1 3.14Å
117N88.5Confident89.9Confident112 Ų11282.3 Ų82.360%0.59942%0.419SS*.SBendtrans-78-19.2176-67.4-9.2000112.5G62 N63G62-N117 WeakPolarHBondContact O-CB 3.19Å; G62-N117 PolarHBondContact O-ND2 3.17Å; N63-N117 WeakPolarHBondContact OD1-CB 3.12Å
118T87.7Confident90.7Very high30 Ų3082 Ų8218%0.18442%0.418CS..SBendtrans-96.2139.3175.959.10000110.8N63 S116N63-T118 HydrophobicContact CB-CG2 3.71Å; N63-T118 WeakPolarHBondContact O-CG2 3.42Å; S116-T118 VanDerWaalsContact C-N 3.32Å; S116-T118 PolarHBondContact OG-N 3.25Å; S116-T118 PolarHBondContact OG-OG1 3.33Å; S116-T118 VanDerWaalsContact OG-OG1 3.14Å
119R87.9Confident91.5Very high242 Ų24277.1 Ų77.191%0.91340%0.395SS*.  trans-86.5125.2173.4-65.4-175.9-178.8-168.90.1110.2
120C91.7Very high91.9Very high16 Ų1674 Ų7411%0.10838%0.378CS..  trans-120.4126.4169.5-176.40000108.1A100 A101 F122A100-C120 WeakPolarHBondContact O-CB 3.42Å; A101-C120 HydrophobicContact CB-CB 3.91Å; C120-F122 WeakPolarHBondContact O-CD1 3.42Å
121T92.1Very high92.2Very high76 Ų7674.7 Ų74.747%0.46637%0.374SS..  trans-87.7137-177.551.20000110.9Y4 H77Y4-T121 VanDerWaalsContact CE2-OG1 3.25Å; Y4-T121 WeakPolarHBondContact CE2-OG1 3.49Å; H77-T121 PolarHBondContact CE1-O 2.92Å
122F93.1Very high92.3Very high69 Ų6979.9 Ų79.930%0.30339%0.389SS..  trans-152.8161.6174.853.6-92.2000108.6I75 A101 F103 P113 C120 E126 L127I75-F122 HydrophobicContact CD1-CB 3.63Å; I75-F122 HydrophobicContact CD1-CD1 4.24Å; I75-F122 HydrophobicContact CD1-CG 3.94Å; A101-F122 HydrophobicContact CB-CD1 4.08Å; A101-F122 HydrophobicContact CB-CE1 3.97Å; F103-F122 HydrophobicContact CE1-CE2 4.32Å; F103-F122 HydrophobicContact CE1-CZ 4.39Å; F103-F122 HydrophobicContact CZ-CD1 4.31Å; F103-F122 HydrophobicContact CZ-CD2 4.1Å; F103-F122 AromaticContact CZ-CE1 3.99Å; F103-F122 HydrophobicContact CZ-CE1 3.99Å; F103-F122 AromaticContact CZ-CE2 3.75Å; F103-F122 HydrophobicContact CZ-CE2 3.75Å; F103-F122 HydrophobicContact CZ-CG 4.39Å; F103-F122 AromaticContact CZ-CZ 3.71Å; F103-F122 HydrophobicContact CZ-CZ 3.71Å; P113-F122 HydrophobicContact CB-CE1 4.5Å; P113-F122 HydrophobicContact CB-CZ 4.45Å; P113-F122 HydrophobicContact CG-CE1 4Å; P113-F122 HydrophobicContact CG-CZ 3.67Å; C120-F122 WeakPolarHBondContact O-CD1 3.42Å; F122-E126 HydrophobicContact CB-CB 3.91Å; F122-E126 HydrophobicContact CB-CG 4.04Å; F122-L127 HydrophobicContact CD2-CD2 4.09Å; F122-L127 HydrophobicContact CD2-CG 4.44Å; F122-L127 HydrophobicContact CE2-CD2 4.12Å
123G91Very high92.4Very high29 Ų2976.1 Ų76.130%0.29937%0.366SS..  trans-135.8-162.4176.100000112E125 E126 L127G123-E125 VanDerWaalsContact C-N 3.27Å; G123-E125 PolarHBondContact O-N 2.93Å; G123-E126 WeakPolarHBondContact CA-OE2 3.41Å; G123-E126 PolarHBondContact N-OE2 2.81Å; G123-E126 PolarHBondContact O-N 2.8Å; G123-L127 PolarHBondContact O-N 3.47Å; G123-L127 VanDerWaalsContact O-N 3.15Å
124D91.4Very high92.2Very high121 Ų12174.3 Ų74.365%0.64735%0.352SS*.Hα-helixtrans-63.2-28.9-171.1-59.7-29.5000114L127 R128D124-L127 PolarHBondContact O-N 3.13Å; D124-R128 WeakPolarHBondContact O-CG 3.41Å; D124-R128 PolarHBondContact O-N 2.95Å
125E92.2Very high91.8Very high77 Ų7776.3 Ų76.336%0.3636%0.362SS..Hα-helixtrans-70.6-41.4177.4-59.3-65.2176.400111.7R3 G123 L127 R128 V129R3-E125 IonicContact NH2-OE1 3.27Å; R3-E125 PolarHBondContact NH2-OE1 3.39Å; G123-E125 VanDerWaalsContact C-N 3.27Å; G123-E125 PolarHBondContact O-N 2.93Å; E125-L127 VanDerWaalsContact C-N 3.28Å; E125-L127 PolarHBondContact O-N 3.14Å; E125-R128 WeakPolarHBondContact O-CB 3.22Å; E125-R128 PolarHBondContact O-N 2.95Å; E125-R128 IonicContact OE1-NH1 3.41Å; E125-R128 PolarHBondContact OE1-NH1 3.11Å; E125-R128 VanDerWaalsContact OE1-NH1 3.16Å; E125-R128 IonicContact OE2-CZ 3Å; E125-R128 IonicContact OE2-NH1 2.67Å; E125-R128 PolarHBondContact OE2-NH1 3.2Å; E125-V129 WeakPolarHBondContact O-CG2 3.41Å; E125-V129 PolarHBondContact O-N 3.24Å
126E95.2Very high91.5Very high14 Ų1469 Ų697%0.06533%0.329CS..Hα-helixtrans-62.7-39.6174.8-68.487.1167.600111.1Y6 I19 I75 F122 G123 R128 V129 I130Y6-E126 HydrophobicContact CE2-CG 3.62Å; Y6-E126 WeakPolarHBondContact CE2-OE1 3.33Å; Y6-E126 WeakPolarHBondContact OH-CG 3.33Å; Y6-E126 PolarHBondContact OH-OE1 3.17Å; I19-E126 HydrophobicContact CD1-CB 3.88Å; I19-E126 HydrophobicContact CD1-CG 3.79Å; I75-E126 HydrophobicContact CD1-CB 3.86Å; I75-E126 HydrophobicContact CD1-CG 4.34Å; F122-E126 HydrophobicContact CB-CB 3.91Å; F122-E126 HydrophobicContact CB-CG 4.04Å; G123-E126 WeakPolarHBondContact CA-OE2 3.41Å; G123-E126 PolarHBondContact N-OE2 2.81Å; G123-E126 PolarHBondContact O-N 2.8Å; E126-R128 VanDerWaalsContact C-N 3.34Å; E126-R128 PolarHBondContact O-N 3.43Å; E126-V129 PolarHBondContact O-N 3.21Å; E126-I130 WeakPolarHBondContact O-CG1 3.45Å; E126-I130 PolarHBondContact O-N 3.01Å
127L94.5Very high91.1Very high38 Ų3868.6 Ų68.620%0.19932%0.323CS..Hα-helixtrans-62.6-39.2174.6-64.4-178.9000112F103 L111 F122 G123 D124 E125 V129 I130 E131F103-L127 HydrophobicContact CE1-CD2 3.83Å; F103-L127 HydrophobicContact CZ-CD2 4.09Å; L111-L127 HydrophobicContact CB-CD2 4.36Å; F122-L127 HydrophobicContact CD2-CD2 4.09Å; F122-L127 HydrophobicContact CD2-CG 4.44Å; F122-L127 HydrophobicContact CE2-CD2 4.12Å; G123-L127 PolarHBondContact O-N 3.47Å; G123-L127 VanDerWaalsContact O-N 3.15Å; D124-L127 PolarHBondContact O-N 3.13Å; E125-L127 VanDerWaalsContact C-N 3.28Å; E125-L127 PolarHBondContact O-N 3.14Å; L127-V129 VanDerWaalsContact C-N 3.33Å; L127-V129 PolarHBondContact O-N 2.99Å; L127-I130 HydrophobicContact CD2-CD1 4.16Å; L127-I130 WeakPolarHBondContact O-CB 3.41Å; L127-I130 PolarHBondContact O-N 3.22Å; L127-E131 PolarHBondContact O-N 3.25Å
128R94.2Very high90.5Very high123 Ų12366 Ų6646%0.46431%0.308SS..Hα-helixtrans-63.1-37.3172.5-71.6170.2-175.4164.20.1112.6D124 E125 E126 R132D124-R128 WeakPolarHBondContact O-CG 3.41Å; D124-R128 PolarHBondContact O-N 2.95Å; E125-R128 WeakPolarHBondContact O-CB 3.22Å; E125-R128 PolarHBondContact O-N 2.95Å; E125-R128 IonicContact OE1-NH1 3.41Å; E125-R128 PolarHBondContact OE1-NH1 3.11Å; E125-R128 VanDerWaalsContact OE1-NH1 3.16Å; E125-R128 IonicContact OE2-CZ 3Å; E125-R128 IonicContact OE2-NH1 2.67Å; E125-R128 PolarHBondContact OE2-NH1 3.2Å; E126-R128 VanDerWaalsContact C-N 3.34Å; E126-R128 PolarHBondContact O-N 3.43Å; R128-R132 VanDerWaalsContact O-CG 3.32Å; R128-R132 WeakPolarHBondContact O-CG 3.36Å; R128-R132 PolarHBondContact O-N 3.37Å
129V95Very high89.9Confident53 Ų5366 Ų6632%0.32131%0.31SS..Hα-helixtrans-67.6-41.6175.4176.50000110.5I19 E125 E126 L127 E131 R132 L133I19-V129 HydrophobicContact CB-CG1 3.99Å; I19-V129 HydrophobicContact CD1-CB 4Å; I19-V129 HydrophobicContact CD1-CG1 4.01Å; I19-V129 HydrophobicContact CD1-CG2 4.48Å; I19-V129 HydrophobicContact CG2-CG1 3.98Å; E125-V129 WeakPolarHBondContact O-CG2 3.41Å; E125-V129 PolarHBondContact O-N 3.24Å; E126-V129 PolarHBondContact O-N 3.21Å; L127-V129 VanDerWaalsContact C-N 3.33Å; L127-V129 PolarHBondContact O-N 2.99Å; V129-E131 VanDerWaalsContact C-N 3.35Å; V129-E131 PolarHBondContact O-N 2.95Å; V129-R132 PolarHBondContact O-N 3Å; V129-L133 HydrophobicContact CG1-CD1 4.13Å; V129-L133 HydrophobicContact CG1-CG 4.35Å; V129-L133 WeakPolarHBondContact O-CB 3.48Å; V129-L133 WeakPolarHBondContact O-CG 3.21Å; V129-L133 PolarHBondContact O-N 2.81Å
130I95.2Very high88.8Confident0 Ų060.8 Ų60.80%031%0.307CS..Hα-helixtrans-59-47.3174.6-69.7164.2000110.5I19 I73 I75 F103 L111 E126 L127 R132 L133 R134I19-I130 HydrophobicContact CG2-CG1 4.12Å; I73-I130 HydrophobicContact CB-CG2 4.42Å; I73-I130 HydrophobicContact CD1-CG2 3.82Å; I73-I130 WeakPolarHBondContact CD1-O 3.45Å; I73-I130 HydrophobicContact CG2-CB 4.45Å; I73-I130 HydrophobicContact CG2-CG1 3.87Å; I73-I130 HydrophobicContact CG2-CG2 4.34Å; I75-I130 HydrophobicContact CD1-CD1 3.82Å; I75-I130 HydrophobicContact CG1-CD1 4.13Å; F103-I130 HydrophobicContact CB-CG2 4.38Å; F103-I130 HydrophobicContact CD1-CD1 4.04Å; F103-I130 HydrophobicContact CD2-CD1 3.5Å; F103-I130 VanDerWaalsContact CD2-CD1 3.5Å; F103-I130 HydrophobicContact CE1-CD1 3.97Å; F103-I130 HydrophobicContact CE2-CD1 3.45Å; F103-I130 VanDerWaalsContact CE2-CD1 3.45Å; F103-I130 HydrophobicContact CG-CD1 3.81Å; F103-I130 HydrophobicContact CZ-CD1 3.69Å; L111-I130 HydrophobicContact CD2-CB 4.38Å; L111-I130 HydrophobicContact CD2-CG2 3.63Å; E126-I130 WeakPolarHBondContact O-CG1 3.45Å; E126-I130 PolarHBondContact O-N 3.01Å; L127-I130 HydrophobicContact CD2-CD1 4.16Å; L127-I130 WeakPolarHBondContact O-CB 3.41Å; L127-I130 PolarHBondContact O-N 3.22Å; I130-R132 PolarHBondContact O-N 3.27Å; I130-L133 PolarHBondContact O-N 2.79Å; I130-R134 WeakPolarHBondContact O-CG 3.37Å; I130-R134 PolarHBondContact O-N 3.34Å
131E92.9Very high87.8Confident100 Ų10064.5 Ų64.547%0.46733%0.333SS..Hα-helixtrans-59.2-47.7177.6-173172.4-142.800111.7L127 V129 L133 R134 E135L127-E131 PolarHBondContact O-N 3.25Å; V129-E131 VanDerWaalsContact C-N 3.35Å; V129-E131 PolarHBondContact O-N 2.95Å; E131-L133 VanDerWaalsContact C-N 3.3Å; E131-L133 PolarHBondContact O-N 3.16Å; E131-R134 WeakPolarHBondContact O-CB 3.02Å; E131-R134 PolarHBondContact O-N 3.01Å; E131-R134 VanDerWaalsContact O-N 3.14Å; E131-E135 WeakPolarHBondContact O-CG 3.36Å; E131-E135 PolarHBondContact O-N 3.11Å
132R93.4Very high86.8Confident168 Ų16861.4 Ų61.463%0.63432%0.315SS*.Hα-helixtrans-60.3-38.3174.7-72.4174.5-173.2169.73.1112.9R128 V129 I130 E135 W136R128-R132 VanDerWaalsContact O-CG 3.32Å; R128-R132 WeakPolarHBondContact O-CG 3.36Å; R128-R132 PolarHBondContact O-N 3.37Å; V129-R132 PolarHBondContact O-N 3Å; I130-R132 PolarHBondContact O-N 3.27Å; R132-E135 PolarHBondContact O-N 2.9Å; R132-W136 VanDerWaalsContact O-CB 3.28Å; R132-W136 WeakPolarHBondContact O-CB 3.07Å; R132-W136 PolarHBondContact O-N 2.82Å
133L93.6Very high85.7Confident9 Ų960.6 Ų60.65%0.04732%0.316CS..Hα-helixtrans-67.7-39.4175.9-77176.8000111.3I19 I21 P45 I73 V129 I130 E131 W136 Y137I19-L133 HydrophobicContact CB-CD1 4.47Å; I19-L133 HydrophobicContact CG2-CD1 3.79Å; I21-L133 HydrophobicContact CD1-CB 4.04Å; I21-L133 HydrophobicContact CD1-CD2 4.3Å; I21-L133 WeakPolarHBondContact CD1-O 3.33Å; I21-L133 HydrophobicContact CG1-CB 4.15Å; I21-L133 HydrophobicContact CG1-CD1 4.36Å; I21-L133 HydrophobicContact CG1-CD2 4.17Å; I21-L133 HydrophobicContact CG1-CG 4.47Å; P45-L133 HydrophobicContact CG-CD2 4.25Å; I73-L133 HydrophobicContact CD1-CB 3.9Å; I73-L133 HydrophobicContact CG2-CD1 3.97Å; V129-L133 HydrophobicContact CG1-CD1 4.13Å; V129-L133 HydrophobicContact CG1-CG 4.35Å; V129-L133 WeakPolarHBondContact O-CB 3.48Å; V129-L133 WeakPolarHBondContact O-CG 3.21Å; V129-L133 PolarHBondContact O-N 2.81Å; I130-L133 PolarHBondContact O-N 2.79Å; E131-L133 VanDerWaalsContact C-N 3.3Å; E131-L133 PolarHBondContact O-N 3.16Å; L133-W136 HydrophobicContact CD2-CE3 4.18Å; L133-W136 PolarHBondContact O-N 3.44Å; L133-Y137 WeakPolarHBondContact O-CB 3.23Å; L133-Y137 PolarHBondContact O-N 3.45Å
134R89.9Confident84.6Confident10 Ų1059.4 Ų59.44%0.03830%0.303CS..Hα-helixtrans-58.8-48.2172.3-70.6-178.3172.1178.2-4.1110.7I73 S104 V106 D109 P110 I130 E131 Y137 I138I73-R134 HydrophobicContact CD1-CB 4.37Å; I73-R134 HydrophobicContact CD1-CG 3.39Å; S104-R134 VanDerWaalsContact O-CZ 3.26Å; S104-R134 PolarHBondContact O-NE 3.08Å; S104-R134 PolarHBondContact O-NH2 2.73Å; V106-R134 VanDerWaalsContact O-CZ 3.28Å; V106-R134 PolarHBondContact O-NE 2.76Å; V106-R134 PolarHBondContact O-NH1 2.98Å; D109-R134 PolarHBondContact O-NH1 2.66Å; D109-R134 PolarHBondContact O-NH2 3.11Å; P110-R134 PolarHBondContact O-NH2 2.91Å; I130-R134 WeakPolarHBondContact O-CG 3.37Å; I130-R134 PolarHBondContact O-N 3.34Å; E131-R134 WeakPolarHBondContact O-CB 3.02Å; E131-R134 PolarHBondContact O-N 3.01Å; E131-R134 VanDerWaalsContact O-N 3.14Å; R134-Y137 PolarHBondContact O-N 3.36Å; R134-I138 WeakPolarHBondContact O-CG1 3.42Å; R134-I138 PolarHBondContact O-N 3.41Å; R134-I138 VanDerWaalsContact O-N 3.13Å
135E85.7Confident82.9Confident83 Ų8357.2 Ų57.239%0.38829%0.289SS..Hα-helixtrans-64.3-43.9178.9-67.8-169.2144.700112.6R107 E131 R132 I138 S139R107-E135 IonicContact CZ-OE1 3.21Å; R107-E135 IonicContact NH1-OE1 2.7Å; R107-E135 IonicContact NH2-OE1 3.16Å; R107-E135 PolarHBondContact NH2-OE1 3.21Å; E131-E135 WeakPolarHBondContact O-CG 3.36Å; E131-E135 PolarHBondContact O-N 3.11Å; R132-E135 PolarHBondContact O-N 2.9Å; E135-I138 WeakPolarHBondContact O-CG1 3.41Å; E135-I138 PolarHBondContact O-N 2.79Å; E135-S139 WeakPolarHBondContact O-CB 3.41Å; E135-S139 PolarHBondContact O-N 3.07Å
136W86.7Confident81.1Confident41 Ų4156.5 Ų56.516%0.15528%0.283CS..Hα-helixtrans-62.4-43175.4171.573.6000111.6I21 T43 D44 P45 R132 L133 I138 S139 C142 P143 V144I21-W136 HydrophobicContact CD1-CE3 3.65Å; I21-W136 HydrophobicContact CD1-CZ3 3.67Å; I21-W136 HydrophobicContact CG1-CZ3 4.27Å; T43-W136 HydrophobicContact CG2-CH2 4.23Å; T43-W136 HydrophobicContact CG2-CZ3 4.29Å; D44-W136 VanDerWaalsContact C-CH2 3.48Å; D44-W136 WeakPolarHBondContact O-CH2 3.45Å; P45-W136 HydrophobicContact CB-CZ2 4.33Å; P45-W136 HydrophobicContact CG-CD2 3.75Å; P45-W136 HydrophobicContact CG-CE3 4.16Å; P45-W136 HydrophobicContact CG-CG 3.99Å; P45-W136 HydrophobicContact CG-CZ2 4.28Å; R132-W136 VanDerWaalsContact O-CB 3.28Å; R132-W136 WeakPolarHBondContact O-CB 3.07Å; R132-W136 PolarHBondContact O-N 2.82Å; L133-W136 HydrophobicContact CD2-CE3 4.18Å; L133-W136 PolarHBondContact O-N 3.44Å; W136-I138 VanDerWaalsContact C-N 3.34Å; W136-I138 PolarHBondContact O-N 3.36Å; W136-S139 VanDerWaalsContact O-CB 3.31Å; W136-S139 WeakPolarHBondContact O-CB 3.32Å; W136-S139 PolarHBondContact O-N 3.09Å; W136-C142 WeakPolarHBondContact O-CB 3.38Å; W136-C142 PolarHBondContact O-SG 3.42Å; W136-P143 HydrophobicContact CZ2-CG 4.3Å; W136-V144 HydrophobicContact CH2-CG2 3.33Å; W136-V144 HydrophobicContact CZ2-CG2 3.95Å; W136-V144 HydrophobicContact CZ3-CG2 4Å
137Y82.4Confident78.7Confident30 Ų3060.3 Ų60.312%0.11830%0.301CS..Hα-helixtrans-64-39.1-178.2-167.6-120.8000112.6I21 G71 L133 R134 V144 R146I21-Y137 VanDerWaalsContact CD1-CB 3.47Å; I21-Y137 HydrophobicContact CD1-CD2 3.67Å; I21-Y137 HydrophobicContact CD1-CG 3.72Å; I21-Y137 HydrophobicContact CG2-CD2 3.88Å; I21-Y137 HydrophobicContact CG2-CE2 3.86Å; I21-Y137 HydrophobicContact CG2-CG 4.3Å; G71-Y137 VanDerWaalsContact CA-CE1 3.5Å; L133-Y137 WeakPolarHBondContact O-CB 3.23Å; L133-Y137 PolarHBondContact O-N 3.45Å; R134-Y137 PolarHBondContact O-N 3.36Å; Y137-V144 HydrophobicContact CE2-CB 4.24Å; Y137-V144 HydrophobicContact CE2-CG1 3.83Å; Y137-R146 HydrophobicContact CE1-CG 4.26Å; Y137-R146 HydrophobicContact CE2-CG 3.9Å; Y137-R146 VanDerWaalsContact O-CD 3.24Å; Y137-R146 WeakPolarHBondContact O-CD 3.19Å; Y137-R146 PolarHBondContact O-NE 2.89Å; Y137-R146 PolarHBondContact O-NH1 3.28Å
138I75.6Confident76Confident56 Ų5660.7 Ų60.729%0.28730%0.303SS..Hα-helixtrans-82.2-17.4178.167.8-176.1000112.9R107 R134 E135 W136 R146R107-I138 HydrophobicContact CB-CD1 4.2Å; R107-I138 HydrophobicContact CG-CD1 4.19Å; R134-I138 WeakPolarHBondContact O-CG1 3.42Å; R134-I138 PolarHBondContact O-N 3.41Å; R134-I138 VanDerWaalsContact O-N 3.13Å; E135-I138 WeakPolarHBondContact O-CG1 3.41Å; E135-I138 PolarHBondContact O-N 2.79Å; W136-I138 VanDerWaalsContact C-N 3.34Å; W136-I138 PolarHBondContact O-N 3.36Å; I138-R146 VanDerWaalsContact CA-NH1 3.33Å; I138-R146 PolarHBondContact O-NH1 3.05Å
139S74.3Confident73.1Confident32 Ų3259.6 Ų59.622%0.22431%0.305CS..SBendtrans-55.7141.2-179.4-179.20000112.5E135 W136 S141 C142 R146E135-S139 WeakPolarHBondContact O-CB 3.41Å; E135-S139 PolarHBondContact O-N 3.07Å; W136-S139 VanDerWaalsContact O-CB 3.31Å; W136-S139 WeakPolarHBondContact O-CB 3.32Å; W136-S139 PolarHBondContact O-N 3.09Å; S139-S141 PolarHBondContact O-N 2.92Å; S139-S141 PolarHBondContact OG-N 3.08Å; S139-S141 PolarHBondContact OG-OG 3.32Å; S139-C142 VanDerWaalsContact O-CB 3.29Å; S139-C142 WeakPolarHBondContact O-CB 3.22Å; S139-C142 PolarHBondContact O-N 3.31Å; S139-R146 PolarHBondContact O-NH2 2.83Å
140P65.9Low70Confident131 Ų13162.7 Ų62.785%0.85132%0.316SS*.THydrogen-bonded Turntrans-57.3-27.9171.5-23.233.1000113.4C142P140-C142 VanDerWaalsContact C-N 3.29Å; P140-C142 PolarHBondContact O-N 3.25Å
141S70.4Confident67Low95 Ų9568 Ų6866%0.66434%0.343SS*.THydrogen-bonded Turntrans-82-0.5178.760.50000114.4S139 P143S139-S141 PolarHBondContact O-N 2.92Å; S139-S141 PolarHBondContact OG-N 3.08Å; S139-S141 PolarHBondContact OG-OG 3.32Å; S141-P143 VanDerWaalsContact O-CD 3.31Å; S141-P143 WeakPolarHBondContact O-CD 3.33Å
142C70.1Confident64Low11 Ų1166.2 Ų66.27%0.07434%0.342CS..  trans-68.3119.1179-165.10000110.5W136 S139 P140 V144W136-C142 WeakPolarHBondContact O-CB 3.38Å; W136-C142 PolarHBondContact O-SG 3.42Å; S139-C142 VanDerWaalsContact O-CB 3.29Å; S139-C142 WeakPolarHBondContact O-CB 3.22Å; S139-C142 PolarHBondContact O-N 3.31Å; P140-C142 VanDerWaalsContact C-N 3.29Å; P140-C142 PolarHBondContact O-N 3.25Å; C142-V144 PolarHBondContact O-N 2.71Å
143P70.1Confident60.9Low52 Ų5263.5 Ų63.534%0.33835%0.349SS..  trans-75.70.1178.633.2-37.7000113N48 W136 S141 E145N48-P143 VanDerWaalsContact C-CG 3.43Å; W136-P143 HydrophobicContact CZ2-CG 4.3Å; S141-P143 VanDerWaalsContact O-CD 3.31Å; S141-P143 WeakPolarHBondContact O-CD 3.33Å; P143-E145 PolarHBondContact O-N 3.28Å
144V67.4Low57.8Low4 Ų471.2 Ų71.22%0.02439%0.385CS..SBendtrans-79.9116.9-179.7-175.50000108.9K23 T43 W136 Y137 C142 R146K23-V144 HydrophobicContact CD-CG1 3.95Å; K23-V144 HydrophobicContact CG-CG1 4.04Å; T43-V144 HydrophobicContact CG2-CG1 4.22Å; T43-V144 HydrophobicContact CG2-CG2 3.68Å; W136-V144 HydrophobicContact CH2-CG2 3.33Å; W136-V144 HydrophobicContact CZ2-CG2 3.95Å; W136-V144 HydrophobicContact CZ3-CG2 4Å; Y137-V144 HydrophobicContact CE2-CB 4.24Å; Y137-V144 HydrophobicContact CE2-CG1 3.83Å; C142-V144 PolarHBondContact O-N 2.71Å; V144-R146 WeakPolarHBondContact O-CG 3.3Å; V144-R146 PolarHBondContact O-N 3.26Å
145E56Low54.9Low74 Ų7480.4 Ų80.435%0.34643%0.428SS..  trans-55.4118.9166.6-68.7173.7-157.200109.5P143 N313 F340P143-E145 PolarHBondContact O-N 3.28Å; E145-N313 PolarHBondContact OE2-ND2 3.36Å; E145-N313 VanDerWaalsContact OE2-ND2 3.16Å; E145-F340 VanDerWaalsContact OE2-CB 3.29Å; E145-F340 WeakPolarHBondContact OE2-CB 3.31Å; E145-F340 WeakPolarHBondContact OE2-CD1 3.4Å; E145-F340 WeakPolarHBondContact OE2-CG 3.46Å
146R55Low52.1Low62 Ų6279.7 Ų79.723%0.23444%0.443CS..  trans-108.7152.2-176.8-75171.3-84.3179.3-7.8110.1Y137 I138 S139 V144 N148Y137-R146 HydrophobicContact CE1-CG 4.26Å; Y137-R146 HydrophobicContact CE2-CG 3.9Å; Y137-R146 VanDerWaalsContact O-CD 3.24Å; Y137-R146 WeakPolarHBondContact O-CD 3.19Å; Y137-R146 PolarHBondContact O-NE 2.89Å; Y137-R146 PolarHBondContact O-NH1 3.28Å; I138-R146 VanDerWaalsContact CA-NH1 3.33Å; I138-R146 PolarHBondContact O-NH1 3.05Å; S139-R146 PolarHBondContact O-NH2 2.83Å; V144-R146 WeakPolarHBondContact O-CG 3.3Å; V144-R146 PolarHBondContact O-N 3.26Å; R146-N148 VanDerWaalsContact C-N 3.33Å; R146-N148 PolarHBondContact O-N 3.42Å; R146-N148 VanDerWaalsContact O-N 3.08Å
147E44.1Very low49.3Very low94 Ų9481 Ų8144%0.43947%0.47SS..  trans-62.4105.8144.3-75.5179.6-175.400105.1I149 H312E147-I149 PolarHBondContact O-N 2.81Å; E147-H312 IonicContact OE1-CE1 2.74Å; E147-H312 IonicContact OE1-ND1 3.31Å
148N37.6Very low46.9Very low47 Ų4787.3 Ų87.325%0.25151%0.505SS..  trans-54.8108.5-173.9-78.5-34.4000109.5R146 G167R146-N148 VanDerWaalsContact C-N 3.33Å; R146-N148 PolarHBondContact O-N 3.42Å; R146-N148 VanDerWaalsContact O-N 3.08Å; N148-G167 WeakPolarHBondContact O-CA 3.41Å; N148-G167 PolarHBondContact O-N 3.03Å
149I34.5Very low44.8Very low100 Ų10093.1 Ų93.151%0.51353%0.531SS..  trans-114.386.7160.6-56.5175.4000103.5E147 I151E147-I149 PolarHBondContact O-N 2.81Å; I149-I151 HydrophobicContact CG2-CG1 4.35Å
150Q29.3Very low42.8Very low118 Ų11898.1 Ų98.155%0.55156%0.56SS**BIsolated β-bridgetrans-72.9130171.4-70.4-174.7-5.500107T165Q150-T165 WeakPolarHBondContact CB-OG1 3.47Å; Q150-T165 PolarHBondContact N-O 3.04Å; Q150-T165 PolarHBondContact O-N 2.8Å; Q150-T165 PolarHBondContact O-OG1 2.94Å
151I32.2Very low40.9Very low111 Ų11198.4 Ų98.457%0.56955%0.554SS**  trans-115.292167.2-57.4173.2000103.4I149 S153I149-I151 HydrophobicContact CG2-CG1 4.35Å; I151-S153 PolarHBondContact O-N 3.27Å
152S29.4Very low38.9Very low62 Ų62104.5 Ų104.543%0.43456%0.563SS.*  trans-68114.2170.133.20000108E154 T165S152-E154 VanDerWaalsContact C-N 3.28Å; S152-E154 PolarHBondContact O-N 3.46Å; S152-T165 WeakPolarHBondContact OG-CG2 3.38Å; S152-T165 PolarHBondContact OG-OG1 3.25Å
153S28Very low37Very low112 Ų112109.4 Ų109.478%0.78359%0.593SS**  trans-74.385.7164.455.70000107.9I151 Q155I151-S153 PolarHBondContact O-N 3.27Å; S153-Q155 PolarHBondContact O-N 3.41Å
154E29.8Very low35.1Very low170 Ų170111 Ų11179%0.79460%0.598SS**  trans-73.1120.6163.8-74.6-173.9-177.600108.6S152 G156S152-E154 VanDerWaalsContact C-N 3.28Å; S152-E154 PolarHBondContact O-N 3.46Å; E154-G156 PolarHBondContact O-N 3.48Å
155Q27.7Very low33.8Very low204 Ų204112.8 Ų112.895%0.95361%0.608SS**  trans-6894.3168.7-65.1176.5-6.900107.6S153S153-Q155 PolarHBondContact O-N 3.41Å
156G27.7Very low33.6Very low67 Ų67112.2 Ų112.269%0.69161%0.612SS**  trans-176.4131.2178.900000110.1E154E154-G156 PolarHBondContact O-N 3.48Å
157G27.7Very low34.4Very low70 Ų70109.5 Ų109.572%0.72260%0.603SS**  trans-73.5162-165.700000115
158N31.8Very low36.4Very low162 Ų162106.2 Ų106.287%0.86659%0.589SS**SBendtrans64.7124156-60-13.3000118
159E31.7Very low38.9Very low177 Ų177106.8 Ų106.883%0.82759%0.589SS**  trans76.8104.6176.8-59.5-173.4163.500115.4N161E159-N161 PolarHBondContact O-N 3.09Å
160V31.7Very low41.7Very low138 Ų138104.8 Ų104.884%0.83658%0.575SS**  trans-71.271.2178.8-173.50000109.5R162V160-R162 PolarHBondContact O-N 3.05Å
161N27.7Very low44.7Very low136 Ų13699.3 Ų99.373%0.72755%0.549SS*.  trans-73.3110.8157.2-82.9-23.3000106.9E159 T163E159-N161 PolarHBondContact O-N 3.09Å; N161-T163 VanDerWaalsContact C-N 3.26Å; N161-T163 PolarHBondContact O-N 3.03Å; N161-T163 PolarHBondContact O-OG1 2.94Å
162R28.4Very low47.3Very low224 Ų22494.3 Ų94.385%0.84552%0.524SS*.  trans-65.380.9178.5-66.2174.3175.6160.7-2109.9V160 I164V160-R162 PolarHBondContact O-N 3.05Å; R162-I164 VanDerWaalsContact C-N 3.26Å; R162-I164 PolarHBondContact O-N 2.93Å
163T28.5Very low50.2Low114 Ų11495.1 Ų95.170%0.69952%0.523SS*.  trans-82.381.9167.8-250000107.6N161 T165N161-T163 VanDerWaalsContact C-N 3.26Å; N161-T163 PolarHBondContact O-N 3.03Å; N161-T163 PolarHBondContact O-OG1 2.94Å; T163-T165 PolarHBondContact O-N 2.92Å
164I31.6Very low53.1Low86 Ų8690 Ų9044%0.44149%0.487SS..  trans-57.4108.7164.3-60.7170000105.1R162 S166 Y377R162-I164 VanDerWaalsContact C-N 3.26Å; R162-I164 PolarHBondContact O-N 2.93Å; I164-S166 PolarHBondContact O-N 3.47Å; I164-Y377 HydrophobicContact CG2-CE1 4.43Å
165T38.7Very low55.8Low41 Ų4185.6 Ų85.625%0.25247%0.469SS..BIsolated β-bridgetrans-69.3106.6172.423.20000106.8Q150 S152 T163 G167Q150-T165 WeakPolarHBondContact CB-OG1 3.47Å; Q150-T165 PolarHBondContact N-O 3.04Å; Q150-T165 PolarHBondContact O-N 2.8Å; Q150-T165 PolarHBondContact O-OG1 2.94Å; S152-T165 WeakPolarHBondContact OG-CG2 3.38Å; S152-T165 PolarHBondContact OG-OG1 3.25Å; T163-T165 PolarHBondContact O-N 2.92Å; T165-G167 PolarHBondContact O-N 2.96Å
166S52.3Low58.6Low61 Ų6177.3 Ų77.343%0.42744%0.438SS..  trans-49.3130.9-163.3-59.20000113I164 I168I164-S166 PolarHBondContact O-N 3.47Å; S166-I168 PolarHBondContact O-N 2.88Å
167G71.3Confident61.3Low5 Ų580.4 Ų80.45%0.05243%0.434CS..SBendtrans-69-12.8169.400000115.1N148 T165N148-G167 WeakPolarHBondContact O-CA 3.41Å; N148-G167 PolarHBondContact O-N 3.03Å; T165-G167 PolarHBondContact O-N 2.96Å
168I87.4Confident64Low25 Ų2578.7 Ų78.713%0.12841%0.408CS..BIsolated β-bridgetrans-93.9127.7-179.2-51.2-54.3000108.5S166 T181 E183 R310 Y377S166-I168 PolarHBondContact O-N 2.88Å; I168-T181 CarbonylContact C-O 3.57Å; I168-T181 WeakPolarHBondContact CA-O 3.47Å; I168-T181 HydrophobicContact CD1-CG2 3.21Å; I168-E183 HydrophobicContact CD1-CG 4.07Å; I168-E183 HydrophobicContact CG1-CG 4.16Å; I168-E183 HydrophobicContact CG2-CB 4.07Å; I168-E183 HydrophobicContact CG2-CG 3.79Å; I168-R310 HydrophobicContact CD1-CG 3.99Å; I168-Y377 HydrophobicContact CB-CD2 4.42Å; I168-Y377 HydrophobicContact CB-CG 4.23Å; I168-Y377 HydrophobicContact CD1-CD2 4.11Å; I168-Y377 HydrophobicContact CD1-CE2 4.11Å; I168-Y377 HydrophobicContact CG1-CD1 4.08Å; I168-Y377 HydrophobicContact CG1-CD2 3.26Å; I168-Y377 HydrophobicContact CG1-CE1 4.42Å; I168-Y377 HydrophobicContact CG1-CE2 3.66Å; I168-Y377 HydrophobicContact CG1-CG 3.48Å; I168-Y377 VanDerWaalsContact CG1-CG 3.48Å
169K90.3Very high66.7Low60 Ų6075.3 Ų75.326%0.26138%0.383SS..PPolyproline II helixtrans-92.1139.3166.7-71.4-164.5176.4-165.40109.4L174 E178 C180 T181K169-L174 HydrophobicContact CB-CD2 3.92Å; K169-L174 HydrophobicContact CD-CD2 4.19Å; K169-E178 IonicContact NZ-OE1 2.81Å; K169-E178 PolarHBondContact NZ-OE1 3.06Å; K169-E178 IonicContact NZ-OE2 3.78Å; K169-E178 PolarHBondContact NZ-OE2 3.31Å; K169-C180 HydrophobicContact CB-CB 4.45Å; K169-C180 HydrophobicContact CD-CB 3.94Å; K169-C180 HydrophobicContact CG-CB 4.24Å; K169-T181 PolarHBondContact N-O 3.43Å
170R91.9Very high69.4Low57 Ų5767 Ų6722%0.21535%0.345CS..PPolyproline II helixtrans-65.8148.6164.4-73-149.664.3-162.4-3.7110.9D172 L173 D205 P207R170-D172 VanDerWaalsContact C-N 3.29Å; R170-D172 WeakPolarHBondContact CB-OD1 3.29Å; R170-D172 IonicContact CZ-OD1 3.86Å; R170-D172 IonicContact NE-OD1 3.5Å; R170-D172 PolarHBondContact O-N 3.36Å; R170-L173 HydrophobicContact CB-CB 4.38Å; R170-L173 HydrophobicContact CB-CD1 4.18Å; R170-L173 HydrophobicContact CB-CG 4.14Å; R170-L173 PolarHBondContact O-N 3.38Å; R170-D205 VanDerWaalsContact CA-OD2 3.23Å; R170-D205 WeakPolarHBondContact CA-OD2 3.49Å; R170-D205 WeakPolarHBondContact CB-OD2 3.22Å; R170-D205 IonicContact CZ-OD1 3.02Å; R170-D205 IonicContact CZ-OD2 2.7Å; R170-D205 IonicContact NE-OD1 2.83Å; R170-D205 IonicContact NE-OD2 3.8Å; R170-D205 PolarHBondContact NE-OD2 3.16Å; R170-D205 VanDerWaalsContact NE-OD2 3.08Å; R170-D205 PolarHBondContact NH2-O 3.25Å; R170-D205 IonicContact NH2-OD1 2.66Å; R170-D205 PolarHBondContact NH2-OD1 2.82Å; R170-D205 IonicContact NH2-OD2 3.09Å; R170-P207 VanDerWaalsContact CZ-O 3.26Å; R170-P207 PolarHBondContact NH1-O 3.34Å; R170-P207 PolarHBondContact NH2-O 3.34Å
171L93Very high72.3Confident3 Ų360.8 Ų60.82%0.01631%0.308CS..G310 helixtrans-59.9-40.6-177.4-64.2173.9000111.7L173 L174 I182 I203 D205 F217 V286L171-L173 PolarHBondContact O-N 3.23Å; L171-L174 HydrophobicContact CD2-CD1 4.23Å; L171-L174 WeakPolarHBondContact O-CB 3.34Å; L171-L174 VanDerWaalsContact O-CG 3.23Å; L171-L174 WeakPolarHBondContact O-CG 3.47Å; L171-L174 PolarHBondContact O-N 3.49Å; L171-I182 HydrophobicContact CD2-CB 4.19Å; L171-I182 HydrophobicContact CD2-CD1 3.95Å; L171-I182 HydrophobicContact CD2-CG2 4.27Å; L171-I203 HydrophobicContact CD1-CD1 4.37Å; L171-I203 HydrophobicContact CD1-CG1 4.18Å; L171-I203 HydrophobicContact CD2-CD1 4.28Å; L171-D205 HydrophobicContact CD1-CB 3.85Å; L171-D205 HydrophobicContact CG-CB 4.09Å; L171-D205 PolarHBondContact N-OD2 3.28Å; L171-F217 VanDerWaalsContact O-CZ 3.3Å; L171-F217 WeakPolarHBondContact O-CZ 3.42Å; L171-V286 HydrophobicContact CB-CG2 4.07Å; L171-V286 HydrophobicContact CD1-CB 4.09Å; L171-V286 HydrophobicContact CD1-CG2 3.76Å; L171-V286 HydrophobicContact CD2-CB 4.47Å; L171-V286 HydrophobicContact CD2-CG1 4.35Å; L171-V286 HydrophobicContact CD2-CG2 4.49Å; L171-V286 HydrophobicContact CG-CG2 4.32Å
172D87.7Confident75.5Confident6 Ų654.3 Ų54.33%0.03227%0.273CS..G310 helixtrans-73.4-8178.271-30.1000114.7R170 Q208 S209R170-D172 VanDerWaalsContact C-N 3.29Å; R170-D172 WeakPolarHBondContact CB-OD1 3.29Å; R170-D172 IonicContact CZ-OD1 3.86Å; R170-D172 IonicContact NE-OD1 3.5Å; R170-D172 PolarHBondContact O-N 3.36Å; D172-Q208 HydrophobicContact CB-CB 4.02Å; D172-Q208 HydrophobicContact CB-CG 4Å; D172-S209 VanDerWaalsContact OD2-CB 3.24Å; D172-S209 WeakPolarHBondContact OD2-CB 3.23Å; D172-S209 PolarHBondContact OD2-N 3.27Å; D172-S209 PolarHBondContact OD2-OG 2.9Å
173L88.9Confident78.8Confident79 Ų7944 Ų4441%0.41423%0.234SC..G310 helixtrans-104.44178.2-61.4-177.4000113.4R170 L171R170-L173 HydrophobicContact CB-CB 4.38Å; R170-L173 HydrophobicContact CB-CD1 4.18Å; R170-L173 HydrophobicContact CB-CG 4.14Å; R170-L173 PolarHBondContact O-N 3.38Å; L171-L173 PolarHBondContact O-N 3.23Å
174L89.7Confident82Confident5 Ų538.5 Ų38.53%0.02620%0.201CC..  trans-65.9143.9177.3-64.2179.1000111.8K169 L171 C180 I182 F217 V316 L329 L331K169-L174 HydrophobicContact CB-CD2 3.92Å; K169-L174 HydrophobicContact CD-CD2 4.19Å; L171-L174 HydrophobicContact CD2-CD1 4.23Å; L171-L174 WeakPolarHBondContact O-CB 3.34Å; L171-L174 VanDerWaalsContact O-CG 3.23Å; L171-L174 WeakPolarHBondContact O-CG 3.47Å; L171-L174 PolarHBondContact O-N 3.49Å; L174-C180 HydrophobicContact CD2-CB 4.35Å; L174-C180 WeakPolarHBondContact CD2-SG 3.2Å; L174-I182 HydrophobicContact CD1-CG2 4.48Å; L174-I182 HydrophobicContact CD2-CG2 4.03Å; L174-F217 HydrophobicContact CD1-CE1 4.13Å; L174-V316 HydrophobicContact CD1-CG2 4.39Å; L174-V316 HydrophobicContact CD2-CG2 4.31Å; L174-L329 HydrophobicContact CB-CD1 3.99Å; L174-L331 HydrophobicContact CD1-CD1 4.21Å; L174-L331 HydrophobicContact CD1-CD2 3.82Å; L174-L331 HydrophobicContact CD1-CG 4.34Å
175N86Confident85.2Confident78 Ų7834.5 Ų34.542%0.41718%0.18SC..  trans-118.2156.5172.9-50.6-73.1000109.6E178 V316N175-E178 PolarHBondContact N-OE1 2.79Å; N175-E178 VanDerWaalsContact O-CG 3.27Å; N175-E178 WeakPolarHBondContact O-CG 3.02Å; N175-V316 WeakPolarHBondContact O-CB 3.26Å; N175-V316 VanDerWaalsContact O-CG1 3.23Å; N175-V316 WeakPolarHBondContact O-CG1 3.07Å
176G86.4Confident88Confident30 Ų3032.6 Ų32.631%0.30917%0.168SC..THydrogen-bonded Turntrans-69.9156.3173.200000113
177E84.9Confident90.1Very high131 Ų13129.7 Ų29.761%0.61215%0.148SC*.THydrogen-bonded Turntrans60.738.7178.3-52.5-53.6125.900113.8V316 C318E177-V316 VanDerWaalsContact CA-O 3.27Å; E177-V316 WeakPolarHBondContact CA-O 3.23Å; E177-V316 PolarHBondContact N-O 3.31Å; E177-C318 PolarHBondContact OE1-N 3.21Å
178E85Confident91.3Very high35 Ų3529.4 Ų29.416%0.16415%0.145CC..EExtended strand (participates in β ladder)trans-130.3166.4179.884.8-176.5168.900113.8K169 N175 V316K169-E178 IonicContact NZ-OE1 2.81Å; K169-E178 PolarHBondContact NZ-OE1 3.06Å; K169-E178 IonicContact NZ-OE2 3.78Å; K169-E178 PolarHBondContact NZ-OE2 3.31Å; N175-E178 PolarHBondContact N-OE1 2.79Å; N175-E178 VanDerWaalsContact O-CG 3.27Å; N175-E178 WeakPolarHBondContact O-CG 3.02Å; E178-V316 HydrophobicContact CG-CB 4.16Å; E178-V316 HydrophobicContact CG-CG2 4.19Å; E178-V316 PolarHBondContact N-O 2.96Å; E178-V316 VanDerWaalsContact N-O 3.07Å; E178-V316 PolarHBondContact O-N 2.85Å
179Y87.4Confident91.6Very high90 Ų9028.9 Ų28.935%0.35314%0.142SC..EExtended strand (participates in β ladder)trans-120.6126.8173.3-76.9-85000109.1N313 V314 H315Y179-N313 WeakPolarHBondContact CB-OD1 3.42Å; Y179-N313 WeakPolarHBondContact CD1-OD1 3.1Å; Y179-V314 VanDerWaalsContact CA-O 3.3Å; Y179-V314 WeakPolarHBondContact CA-O 3.48Å; Y179-H315 HydrophobicContact CD1-CB 4Å; Y179-H315 HydrophobicContact CE1-CB 3.53Å; Y179-H315 AromaticContact CE1-CD2 3.72Å; Y179-H315 AromaticContact CE1-CG 3.83Å; Y179-H315 AromaticContact CE2-CD2 3.66Å; Y179-H315 AromaticContact CZ-CD2 3.37Å; Y179-H315 AromaticContact CZ-CG 3.84Å
180C88.8Confident91.7Very high3 Ų326 Ų262%0.0213%0.13CC..EExtended strand (participates in β ladder)trans-144.9162.8-174.163.50000112.6K169 L174 N313 V314K169-C180 HydrophobicContact CB-CB 4.45Å; K169-C180 HydrophobicContact CD-CB 3.94Å; K169-C180 HydrophobicContact CG-CB 4.24Å; L174-C180 HydrophobicContact CD2-CB 4.35Å; L174-C180 WeakPolarHBondContact CD2-SG 3.2Å; C180-N313 CarbonylContact O-C 3.21Å; C180-N313 VanDerWaalsContact O-CA 3.23Å; C180-N313 WeakPolarHBondContact O-CA 3.48Å; C180-N313 PolarHBondContact O-N 2.87Å; C180-N313 VanDerWaalsContact O-N 3.08Å; C180-V314 PolarHBondContact N-O 2.68Å; C180-V314 PolarHBondContact O-N 3.05Å
181T92.4Very high91.4Very high8 Ų826.8 Ų26.85%0.04914%0.138CC..EExtended strand (participates in β ladder)trans-100.6137.9166.4-56.40000107.9I168 K169 R310 I311 H312I168-T181 CarbonylContact C-O 3.57Å; I168-T181 WeakPolarHBondContact CA-O 3.47Å; I168-T181 HydrophobicContact CD1-CG2 3.21Å; K169-T181 PolarHBondContact N-O 3.43Å; T181-R310 HydrophobicContact CG2-CG 3.71Å; T181-I311 CarbonylContact C-O 3.5Å; T181-I311 VanDerWaalsContact CA-O 3.27Å; T181-I311 WeakPolarHBondContact CA-O 3.13Å; T181-I311 VanDerWaalsContact CG2-O 3.32Å; T181-I311 WeakPolarHBondContact CG2-O 3.38Å; T181-H312 HydrophobicContact CG2-CB 4.44Å; T181-H312 WeakPolarHBondContact CG2-ND1 3.31Å
182I95.2Very high90.4Very high0 Ų026.7 Ų26.70%014%0.138CC..EExtended strand (participates in β ladder)trans-131.7160.2-179.460.7-179.8000110L171 L174 I203 I288 R310 I311 V314 L331L171-I182 HydrophobicContact CD2-CB 4.19Å; L171-I182 HydrophobicContact CD2-CD1 3.95Å; L171-I182 HydrophobicContact CD2-CG2 4.27Å; L174-I182 HydrophobicContact CD1-CG2 4.48Å; L174-I182 HydrophobicContact CD2-CG2 4.03Å; I182-I203 HydrophobicContact CD1-CD1 4.19Å; I182-I288 HydrophobicContact CD1-CD1 3.56Å; I182-R310 CarbonylContact O-C 3.5Å; I182-R310 WeakPolarHBondContact O-CA 3.41Å; I182-I311 HydrophobicContact CG1-CB 4.09Å; I182-I311 PolarHBondContact N-O 2.97Å; I182-I311 PolarHBondContact O-N 3.26Å; I182-V314 HydrophobicContact CD1-CB 4.43Å; I182-V314 HydrophobicContact CD1-CG1 4.42Å; I182-V314 HydrophobicContact CD1-CG2 3.88Å; I182-V314 HydrophobicContact CG1-CG2 3.93Å; I182-L331 HydrophobicContact CD1-CD2 3.78Å
183E96.1Very high89.3Confident6 Ų628.3 Ų28.33%0.02815%0.148CC..EExtended strand (participates in β ladder)trans-129.8155.3173.5-69.9-176.2143.400110I168 D205 I309 R310 L347 L379I168-E183 HydrophobicContact CD1-CG 4.07Å; I168-E183 HydrophobicContact CG1-CG 4.16Å; I168-E183 HydrophobicContact CG2-CB 4.07Å; I168-E183 HydrophobicContact CG2-CG 3.79Å; E183-D205 WeakPolarHBondContact O-CB 3.4Å; E183-I309 WeakPolarHBondContact CA-O 3.38Å; E183-R310 HydrophobicContact CG-CB 3.87Å; E183-R310 HydrophobicContact CG-CG 3.8Å; E183-R310 IonicContact OE1-CZ 2.7Å; E183-R310 IonicContact OE1-NE 3.41Å; E183-R310 PolarHBondContact OE1-NE 2.93Å; E183-R310 IonicContact OE1-NH2 3.49Å; E183-R310 PolarHBondContact OE1-NH2 2.8Å; E183-L347 HydrophobicContact CG-CD1 4.29Å; E183-L379 HydrophobicContact CB-CD1 4.1Å; E183-L379 HydrophobicContact CB-CD2 4.07Å; E183-L379 HydrophobicContact CB-CG 4.48Å
184G97.2Very high88.3Confident0 Ų032.8 Ų32.80%017%0.167CC..EExtended strand (participates in β ladder)trans-177.9169.4173.100000112.9W204 I309G184-W204 CarbonylContact C-O 3.52Å; G184-W204 WeakPolarHBondContact CA-O 3.08Å; G184-I309 PolarHBondContact N-O 2.93Å; G184-I309 PolarHBondContact O-N 3.31Å
185Q97.9Very high87.2Confident2 Ų237 Ų371%0.00919%0.188CC..EExtended strand (participates in β ladder)trans-92.9137168.2-173.7177.538.500109.7I203 W204 L238 G306 D307 L308 L383Q185-I203 CarbonylContact O-C 3.5Å; Q185-I203 WeakPolarHBondContact O-CA 3.29Å; Q185-I203 WeakPolarHBondContact O-CB 3.3Å; Q185-W204 PolarHBondContact N-O 2.86Å; Q185-W204 PolarHBondContact O-N 2.84Å; Q185-L238 VanDerWaalsContact CD-CD1 3.49Å; Q185-L238 HydrophobicContact CG-CD1 3.87Å; Q185-L238 VanDerWaalsContact OE1-CD2 3.31Å; Q185-G306 WeakPolarHBondContact CG-O 3.46Å; Q185-G306 PolarHBondContact NE2-O 2.96Å; Q185-D307 CarbonylContact C-O 3.58Å; Q185-D307 WeakPolarHBondContact CA-O 3.34Å; Q185-L308 HydrophobicContact CB-CD2 3.67Å; Q185-L308 HydrophobicContact CG-CD2 3.91Å; Q185-L383 HydrophobicContact CB-CD1 4.13Å; Q185-L383 HydrophobicContact CB-CD2 4.16Å
186I98.1Very high86.5Confident0 Ų036.1 Ų36.10%018%0.184CC..EExtended strand (participates in β ladder)trans-74.6128.8178.2-62.8160.3000109.9I189 I203 L238 I303 G306 D307 I309I186-I189 HydrophobicContact CG2-CD1 4.17Å; I186-I189 HydrophobicContact CG2-CG1 3.67Å; I186-I203 HydrophobicContact CG1-CG2 4.13Å; I186-L238 WeakPolarHBondContact O-CD1 3.48Å; I186-I303 HydrophobicContact CD1-CB 3.92Å; I186-I303 HydrophobicContact CD1-CD1 3.57Å; I186-I303 HydrophobicContact CD1-CG1 4.28Å; I186-I303 HydrophobicContact CD1-CG2 4.28Å; I186-G306 PolarHBondContact O-N 2.95Å; I186-D307 HydrophobicContact CD1-CB 4.07Å; I186-D307 PolarHBondContact N-O 3.42Å; I186-I309 HydrophobicContact CD1-CD1 4.05Å; I186-I309 HydrophobicContact CD1-CG1 4.32Å; I186-I309 HydrophobicContact CD1-CG2 3.79Å; I186-I309 HydrophobicContact CG1-CD1 3.93Å; I186-I309 HydrophobicContact CG1-CG1 4.15Å; I186-I309 HydrophobicContact CG1-CG2 4.49Å
187I96.9Very high86Confident0 Ų038.3 Ų38.30%019%0.188CC..EExtended strand (participates in β ladder)trans-97.6-50.1174.7-56.7158.3000110.1Y202 W204 D235 L238 A239 T242 H244 S285I187-Y202 PolarHBondContact N-O 3.12Å; I187-W204 HydrophobicContact CD1-CB 3.94Å; I187-W204 HydrophobicContact CD1-CG 4.09Å; I187-W204 HydrophobicContact CG1-CG 4.31Å; I187-D235 PolarHBondContact O-N 3.22Å; I187-L238 HydrophobicContact CG1-CB 4.32Å; I187-L238 HydrophobicContact CG2-CB 4.14Å; I187-A239 HydrophobicContact CG2-CB 4.17Å; I187-T242 HydrophobicContact CD1-CG2 3.82Å; I187-T242 HydrophobicContact CG1-CG2 4.26Å; I187-H244 HydrophobicContact CG2-CB 4Å; I187-S285 VanDerWaalsContact CD1-CB 3.43Å
188S95.3Very high85.9Confident0 Ų033.6 Ų33.60%017%0.165CC..EExtended strand (participates in β ladder)trans-141149.3-176.4-58.40000111.2Y202 Q233 H234 H244S188-Y202 PolarHBondContact N-O 2.86Å; S188-Y202 PolarHBondContact O-N 2.88Å; S188-Q233 CarbonylContact C-O 3.56Å; S188-Q233 VanDerWaalsContact CA-O 3.26Å; S188-Q233 WeakPolarHBondContact CA-O 3.43Å; S188-H234 VanDerWaalsContact CB-ND1 3.33Å; S188-H234 WeakPolarHBondContact CB-ND1 3.29Å; S188-H234 PolarHBondContact OG-ND1 2.88Å; S188-H244 WeakPolarHBondContact CB-NE2 3.17Å; S188-H244 PolarHBondContact OG-CD2 3.16Å; S188-H244 PolarHBondContact OG-NE2 3.1Å
189I94.4Very high86.2Confident13 Ų1332.3 Ų32.37%0.06716%0.159CC..EExtended strand (participates in β ladder)trans-125.9122.2174.6-52.1179.8000107.1I186 I199 L201 S232 Q233 I303 P305I186-I189 HydrophobicContact CG2-CD1 4.17Å; I186-I189 HydrophobicContact CG2-CG1 3.67Å; I189-I199 HydrophobicContact CG2-CG2 3.92Å; I189-L201 HydrophobicContact CB-CD2 4.24Å; I189-L201 HydrophobicContact CG1-CD2 3.92Å; I189-L201 HydrophobicContact CG2-CD2 3.9Å; I189-S232 CarbonylContact O-C 3.46Å; I189-S232 WeakPolarHBondContact O-CA 3.23Å; I189-S232 WeakPolarHBondContact O-CB 3.48Å; I189-Q233 HydrophobicContact CB-CB 4.46Å; I189-Q233 PolarHBondContact N-O 2.87Å; I189-Q233 PolarHBondContact O-N 3.38Å; I189-I303 HydrophobicContact CD1-CD1 3.8Å; I189-I303 HydrophobicContact CD1-CG1 3.88Å; I189-I303 HydrophobicContact CG1-CD1 4.43Å; I189-P305 HydrophobicContact CD1-CG 4.44Å; I189-P305 HydrophobicContact CG1-CG 4.4Å
190Y91.3Very high86.4Confident0 Ų028 Ų280%014%0.142CC..EExtended strand (participates in β ladder)trans-108.9109.7171-64.7-97.8000108S192 V200 Y202 L225 L228 L229 H234Y190-S192 PolarHBondContact O-N 3.4Å; Y190-V200 PolarHBondContact N-O 3.27Å; Y190-V200 PolarHBondContact O-N 2.94Å; Y190-Y202 AromaticContact CD2-CD2 3.83Å; Y190-Y202 HydrophobicContact CD2-CD2 3.83Å; Y190-Y202 AromaticContact CD2-CE2 3.79Å; Y190-Y202 HydrophobicContact CD2-CE2 3.79Å; Y190-Y202 AromaticContact CE2-CD2 3.55Å; Y190-Y202 HydrophobicContact CE2-CD2 3.55Å; Y190-Y202 AromaticContact CE2-CE2 3.49Å; Y190-Y202 HydrophobicContact CE2-CE2 3.49Å; Y190-Y202 VanDerWaalsContact CE2-CE2 3.49Å; Y190-L225 HydrophobicContact CD1-CD2 3.97Å; Y190-L225 HydrophobicContact CD2-CD2 4.24Å; Y190-L225 HydrophobicContact CE1-CB 4.33Å; Y190-L225 HydrophobicContact CE1-CD2 3.8Å; Y190-L225 HydrophobicContact CE2-CD2 4.09Å; Y190-L225 HydrophobicContact CG-CD2 4.18Å; Y190-L228 HydrophobicContact CD1-CB 4.03Å; Y190-L229 HydrophobicContact CE1-CD2 4.28Å; Y190-H234 AromaticContact CE1-CE1 3.91Å; Y190-H234 AromaticContact CZ-CE1 3.55Å; Y190-H234 PolarHBondContact OH-CE1 3.36Å
191N86.9Confident86.8Confident73 Ų7327.9 Ų27.939%0.3914%0.141SC..EExtended strand (participates in β ladder)trans-86.9110.2179.1-169.8-10.5000109.7V193 Y231N191-V193 WeakPolarHBondContact OD1-CB 3.36Å; N191-V193 WeakPolarHBondContact OD1-CG2 3.47Å; N191-V193 PolarHBondContact OD1-N 3.23Å; N191-Y231 WeakPolarHBondContact CB-O 3.19Å; N191-Y231 PolarHBondContact N-O 3.15Å; N191-Y231 VanDerWaalsContact N-O 3.1Å; N191-Y231 VanDerWaalsContact O-CB 3.29Å; N191-Y231 WeakPolarHBondContact O-CB 3.25Å
192S72.6Confident86.9Confident1 Ų128.1 Ų28.11%0.00714%0.141CC..EExtended strand (participates in β ladder)trans-117.225.7173.759.60000111.2Y190 E194 I195 D196 N197 R198Y190-S192 PolarHBondContact O-N 3.4Å; S192-E194 VanDerWaalsContact C-N 3.25Å; S192-E194 PolarHBondContact O-N 2.55Å; S192-I195 PolarHBondContact O-N 3.3Å; S192-D196 WeakPolarHBondContact O-CA 3.3Å; S192-D196 PolarHBondContact O-N 3.35Å; S192-N197 PolarHBondContact O-N 2.89Å; S192-N197 VanDerWaalsContact O-N 3.14Å; S192-R198 CarbonylContact C-O 3.53Å; S192-R198 WeakPolarHBondContact CA-O 3.44Å; S192-R198 PolarHBondContact N-O 3.43Å; S192-R198 VanDerWaalsContact N-O 3.16Å; S192-R198 WeakPolarHBondContact OG-CG 3.4Å; S192-R198 PolarHBondContact OG-O 3.45Å
193V63.8Low87Confident40 Ų4028.1 Ų28.124%0.24214%0.141CC..Hα-helixtrans-61.6-37.5-176.7173.70000111.1N191 N197 R198 I199 A295 I296N191-V193 WeakPolarHBondContact OD1-CB 3.36Å; N191-V193 WeakPolarHBondContact OD1-CG2 3.47Å; N191-V193 PolarHBondContact OD1-N 3.23Å; V193-N197 WeakPolarHBondContact O-CA 3.34Å; V193-N197 PolarHBondContact O-N 3.32Å; V193-R198 PolarHBondContact N-O 2.99Å; V193-I199 HydrophobicContact CG2-CD1 3.9Å; V193-I199 HydrophobicContact CG2-CG1 3.62Å; V193-A295 HydrophobicContact CG2-CB 4.28Å; V193-I296 HydrophobicContact CG1-CG2 3.81Å; V193-I296 HydrophobicContact CG2-CG2 4.44Å
194E66.8Low87.1Confident174 Ų17427.8 Ų27.881%0.81314%0.14SC*.Hα-helixtrans-73.8-25.2179.1-60.6-171.817300113.5S192S192-E194 VanDerWaalsContact C-N 3.25Å; S192-E194 PolarHBondContact O-N 2.55Å
195I68.4Low87Confident93 Ų9328.3 Ų28.348%0.47714%0.143SC..Hα-helixtrans-100-52.4-174.2-59.5169.7000111S192 L228 Y231S192-I195 PolarHBondContact O-N 3.3Å; I195-L228 HydrophobicContact CD1-CD2 3.75Å; I195-Y231 HydrophobicContact CD1-CE2 4.46Å
196D70.1Confident86.8Confident59 Ų5928.3 Ų28.332%0.31614%0.143SC..Hα-helixtrans-119.2-0.8-168.8-76.5-18000113.9S192 R198 H224S192-D196 WeakPolarHBondContact O-CA 3.3Å; S192-D196 PolarHBondContact O-N 3.35Å; D196-R198 HydrophobicContact CB-CG 3.73Å; D196-R198 PolarHBondContact O-N 3.11Å; D196-R198 IonicContact OD2-CZ 3.82Å; D196-R198 IonicContact OD2-NE 2.63Å; D196-R198 PolarHBondContact OD2-NE 3.14Å; D196-R198 IonicContact OD2-NH2 3.66Å; D196-R198 PolarHBondContact OD2-NH2 3.21Å; D196-H224 IonicContact OD2-CE1 2.73Å; D196-H224 PolarHBondContact OD2-CE1 3.16Å; D196-H224 IonicContact OD2-NE2 3.62Å; D196-H224 PolarHBondContact OD2-NE2 2.97Å
197N76.5Confident86.4Confident76 Ų7629 Ų2941%0.40615%0.148SC..SBendtrans53.436.7-172.9-169.747.2000113.3S192 V193S192-N197 PolarHBondContact O-N 2.89Å; S192-N197 VanDerWaalsContact O-N 3.14Å; V193-N197 WeakPolarHBondContact O-CA 3.34Å; V193-N197 PolarHBondContact O-N 3.32Å
198R83.5Confident85.6Confident33 Ų3330.2 Ų30.213%0.12515%0.153CC..EExtended strand (participates in β ladder)trans-142.6162.7177.773.9-174.3168.8170.6-9111.7S192 V193 D196 L220 H224 I290 Y291S192-R198 CarbonylContact C-O 3.53Å; S192-R198 WeakPolarHBondContact CA-O 3.44Å; S192-R198 PolarHBondContact N-O 3.43Å; S192-R198 VanDerWaalsContact N-O 3.16Å; S192-R198 WeakPolarHBondContact OG-CG 3.4Å; S192-R198 PolarHBondContact OG-O 3.45Å; V193-R198 PolarHBondContact N-O 2.99Å; D196-R198 HydrophobicContact CB-CG 3.73Å; D196-R198 PolarHBondContact O-N 3.11Å; D196-R198 IonicContact OD2-CZ 3.82Å; D196-R198 IonicContact OD2-NE 2.63Å; D196-R198 PolarHBondContact OD2-NE 3.14Å; D196-R198 IonicContact OD2-NH2 3.66Å; D196-R198 PolarHBondContact OD2-NH2 3.21Å; R198-L220 VanDerWaalsContact NH1-CD2 3.31Å; R198-L220 VanDerWaalsContact NH2-CD2 3.26Å; R198-H224 PolarHBondContact NH2-CE1 3.03Å; R198-I290 CarbonylContact C-O 3.6Å; R198-I290 WeakPolarHBondContact CA-O 3.28Å; R198-I290 VanDerWaalsContact CB-O 3.26Å; R198-I290 WeakPolarHBondContact CB-O 3.37Å; R198-Y291 HydrophobicContact CB-CD1 3.81Å; R198-Y291 HydrophobicContact CB-CE1 3.94Å; R198-Y291 HydrophobicContact CB-CG 4.4Å; R198-Y291 HydrophobicContact CG-CE1 4.47Å
199I90.2Very high84.7Confident8 Ų832.3 Ų32.34%0.04117%0.168CC..EExtended strand (participates in β ladder)trans-121.2140.2168.1-68.6175.2000108I189 V193 L201 I290 A295 I300I189-I199 HydrophobicContact CG2-CG2 3.92Å; V193-I199 HydrophobicContact CG2-CD1 3.9Å; V193-I199 HydrophobicContact CG2-CG1 3.62Å; I199-L201 HydrophobicContact CG2-CD2 3.69Å; I199-L201 HydrophobicContact CG2-CG 4.35Å; I199-I290 PolarHBondContact N-O 3.34Å; I199-I290 PolarHBondContact O-N 3.25Å; I199-A295 HydrophobicContact CD1-CB 4.32Å; I199-A295 WeakPolarHBondContact CD1-O 3.2Å; I199-A295 HydrophobicContact CG1-CB 4.18Å; I199-I300 HydrophobicContact CD1-CG2 3.42Å; I199-I300 VanDerWaalsContact CD1-CG2 3.42Å
200V92.3Very high83.2Confident0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-110.2118.4171.4-177.50000109.2Y190 Y202 L220 P287 I288Y190-V200 PolarHBondContact N-O 3.27Å; Y190-V200 PolarHBondContact O-N 2.94Å; V200-Y202 HydrophobicContact CG1-CD2 4.26Å; V200-Y202 HydrophobicContact CG1-CE2 3.86Å; V200-L220 HydrophobicContact CB-CD1 4.41Å; V200-L220 HydrophobicContact CG2-CD1 3.74Å; V200-L220 HydrophobicContact CG2-CD2 4.19Å; V200-L220 HydrophobicContact CG2-CG 3.92Å; V200-P287 HydrophobicContact CG1-CB 4.43Å; V200-I288 WeakPolarHBondContact CA-O 3.28Å
201L95.7Very high81.5Confident0 Ų044.5 Ų44.50%023%0.233CC..EExtended strand (participates in β ladder)trans-97.4139.5171.7-55-173.9000109.3I189 I199 I203 P287 I288 I290 I300 I303 I309I189-L201 HydrophobicContact CB-CD2 4.24Å; I189-L201 HydrophobicContact CG1-CD2 3.92Å; I189-L201 HydrophobicContact CG2-CD2 3.9Å; I199-L201 HydrophobicContact CG2-CD2 3.69Å; I199-L201 HydrophobicContact CG2-CG 4.35Å; L201-I203 HydrophobicContact CB-CG2 4.22Å; L201-P287 CarbonylContact O-C 3.52Å; L201-P287 WeakPolarHBondContact O-CA 3.28Å; L201-I288 PolarHBondContact N-O 3.5Å; L201-I288 PolarHBondContact O-N 2.97Å; L201-I290 HydrophobicContact CD1-CD1 3.38Å; L201-I290 HydrophobicContact CG-CD1 3.59Å; L201-I300 HydrophobicContact CD1-CD1 3.97Å; L201-I303 HydrophobicContact CD1-CD1 3.91Å; L201-I303 HydrophobicContact CD2-CD1 3.62Å; L201-I303 HydrophobicContact CG-CD1 4.45Å; L201-I309 HydrophobicContact CD1-CD1 3.69Å
202Y96.4Very high79.9Confident12 Ų1245.3 Ų45.35%0.04723%0.233CC..EExtended strand (participates in β ladder)trans-104.7124.6160.3-75.5-102.8000108.1I187 S188 Y190 V200 L225 H244 V286 P287I187-Y202 PolarHBondContact N-O 3.12Å; S188-Y202 PolarHBondContact N-O 2.86Å; S188-Y202 PolarHBondContact O-N 2.88Å; Y190-Y202 AromaticContact CD2-CD2 3.83Å; Y190-Y202 HydrophobicContact CD2-CD2 3.83Å; Y190-Y202 AromaticContact CD2-CE2 3.79Å; Y190-Y202 HydrophobicContact CD2-CE2 3.79Å; Y190-Y202 AromaticContact CE2-CD2 3.55Å; Y190-Y202 HydrophobicContact CE2-CD2 3.55Å; Y190-Y202 AromaticContact CE2-CE2 3.49Å; Y190-Y202 HydrophobicContact CE2-CE2 3.49Å; Y190-Y202 VanDerWaalsContact CE2-CE2 3.49Å; V200-Y202 HydrophobicContact CG1-CD2 4.26Å; V200-Y202 HydrophobicContact CG1-CE2 3.86Å; Y202-L225 HydrophobicContact CE2-CD2 4.24Å; Y202-H244 AromaticContact CD1-CE1 3.13Å; Y202-H244 WeakPolarHBondContact CD1-CE1 3.28Å; Y202-H244 AromaticContact CD1-ND1 3.31Å; Y202-H244 VanDerWaalsContact CD1-ND1 3.31Å; Y202-H244 WeakPolarHBondContact CD1-ND1 3.44Å; Y202-H244 AromaticContact CD2-CE1 3.55Å; Y202-H244 AromaticContact CE1-CE1 3.41Å; Y202-H244 VanDerWaalsContact CE1-CE1 3.41Å; Y202-H244 WeakPolarHBondContact CE1-CE1 3.49Å; Y202-H244 AromaticContact CE1-ND1 3.75Å; Y202-H244 AromaticContact CE2-CE1 3.84Å; Y202-H244 AromaticContact CG-CE1 3.18Å; Y202-H244 AromaticContact CG-ND1 3.68Å; Y202-H244 AromaticContact CG-NE2 3.94Å; Y202-H244 AromaticContact CZ-CE1 3.75Å; Y202-V286 WeakPolarHBondContact CA-O 3.29Å; Y202-P287 HydrophobicContact CD1-CB 4.05Å; Y202-P287 HydrophobicContact CE1-CB 3.65Å; Y202-P287 HydrophobicContact CE1-CG 4.1Å; Y202-P287 HydrophobicContact CE2-CB 4.24Å
203I97.5Very high79.2Confident0 Ų054.2 Ų54.20%028%0.275CS..EExtended strand (participates in β ladder)trans-125.8165.1179.570.1167.2000111.4L171 I182 Q185 I186 L201 S285 V286 I288 I309L171-I203 HydrophobicContact CD1-CD1 4.37Å; L171-I203 HydrophobicContact CD1-CG1 4.18Å; L171-I203 HydrophobicContact CD2-CD1 4.28Å; I182-I203 HydrophobicContact CD1-CD1 4.19Å; Q185-I203 CarbonylContact O-C 3.5Å; Q185-I203 WeakPolarHBondContact O-CA 3.29Å; Q185-I203 WeakPolarHBondContact O-CB 3.3Å; I186-I203 HydrophobicContact CG1-CG2 4.13Å; L201-I203 HydrophobicContact CB-CG2 4.22Å; I203-S285 CarbonylContact O-C 3.6Å; I203-V286 PolarHBondContact N-O 2.65Å; I203-V286 PolarHBondContact O-N 3.28Å; I203-I288 HydrophobicContact CD1-CD1 3.38Å; I203-I288 HydrophobicContact CG1-CD1 3.66Å; I203-I309 HydrophobicContact CG2-CD1 4.21Å
204W96.7Very high79.2Confident0 Ų055.4 Ų55.40%029%0.285CS..EExtended strand (participates in β ladder)trans-141.9158.4167.472-52.5000111.4G184 Q185 I187 L238 L241 T242 W284 L383 I387G184-W204 CarbonylContact C-O 3.52Å; G184-W204 WeakPolarHBondContact CA-O 3.08Å; Q185-W204 PolarHBondContact N-O 2.86Å; Q185-W204 PolarHBondContact O-N 2.84Å; I187-W204 HydrophobicContact CD1-CB 3.94Å; I187-W204 HydrophobicContact CD1-CG 4.09Å; I187-W204 HydrophobicContact CG1-CG 4.31Å; W204-L238 HydrophobicContact CZ2-CD2 4.19Å; W204-L241 HydrophobicContact CH2-CD2 3.53Å; W204-L241 HydrophobicContact CH2-CG 4.4Å; W204-L241 HydrophobicContact CZ2-CD2 3.68Å; W204-L241 HydrophobicContact CZ3-CD2 4.31Å; W204-T242 HydrophobicContact CB-CG2 4.08Å; W204-T242 HydrophobicContact CD2-CG2 3.47Å; W204-T242 VanDerWaalsContact CD2-CG2 3.47Å; W204-T242 HydrophobicContact CE3-CG2 3.76Å; W204-T242 HydrophobicContact CG-CG2 3.58Å; W204-T242 HydrophobicContact CZ3-CG2 4.43Å; W204-W284 WeakPolarHBondContact CB-O 3.38Å; W204-W284 AromaticContact CE3-CE3 3.85Å; W204-W284 HydrophobicContact CE3-CE3 3.85Å; W204-W284 AromaticContact CZ3-CE3 3.73Å; W204-W284 HydrophobicContact CZ3-CE3 3.73Å; W204-W284 AromaticContact CZ3-CZ3 3.94Å; W204-W284 HydrophobicContact CZ3-CZ3 3.94Å; W204-L383 HydrophobicContact CD2-CD2 3.87Å; W204-L383 HydrophobicContact CE3-CD2 4.32Å; W204-L383 HydrophobicContact CG-CD2 4.39Å; W204-L383 HydrophobicContact CH2-CD2 4.08Å; W204-L383 HydrophobicContact CZ2-CD2 3.62Å; W204-L383 HydrophobicContact CZ3-CD2 4.42Å; W204-I387 HydrophobicContact CH2-CG1 4.06Å; W204-I387 HydrophobicContact CZ2-CG1 4.4Å
205D95.7Very high79.7Confident11 Ų1148.7 Ų48.76%0.05926%0.256CS..  trans-126.318.3-178.578.1-18.5000112.8R170 L171 E183 L379 S382R170-D205 VanDerWaalsContact CA-OD2 3.23Å; R170-D205 WeakPolarHBondContact CA-OD2 3.49Å; R170-D205 WeakPolarHBondContact CB-OD2 3.22Å; R170-D205 IonicContact CZ-OD1 3.02Å; R170-D205 IonicContact CZ-OD2 2.7Å; R170-D205 IonicContact NE-OD1 2.83Å; R170-D205 IonicContact NE-OD2 3.8Å; R170-D205 PolarHBondContact NE-OD2 3.16Å; R170-D205 VanDerWaalsContact NE-OD2 3.08Å; R170-D205 PolarHBondContact NH2-O 3.25Å; R170-D205 IonicContact NH2-OD1 2.66Å; R170-D205 PolarHBondContact NH2-OD1 2.82Å; R170-D205 IonicContact NH2-OD2 3.09Å; L171-D205 HydrophobicContact CD1-CB 3.85Å; L171-D205 HydrophobicContact CG-CB 4.09Å; L171-D205 PolarHBondContact N-OD2 3.28Å; E183-D205 WeakPolarHBondContact O-CB 3.4Å; D205-L379 HydrophobicContact CB-CD1 4.32Å; D205-S382 WeakPolarHBondContact O-CB 3.25Å; D205-S382 PolarHBondContact O-OG 3.5Å
206G93.4Very high80.3Confident1 Ų147.7 Ų47.71%0.0125%0.254CS..SBendtrans106.2-166.7-174.300000113.5S382G206-S382 WeakPolarHBondContact CA-O 3.4Å
207P89.5Confident81.2Confident15 Ų1545.8 Ų45.810%0.09724%0.243CC..PPolyproline II helixtrans-73141.3-174.332-35.9000111R170 W284 S382 R385 L389R170-P207 VanDerWaalsContact CZ-O 3.26Å; R170-P207 PolarHBondContact NH1-O 3.34Å; R170-P207 PolarHBondContact NH2-O 3.34Å; P207-W284 HydrophobicContact CB-CH2 3.89Å; P207-W284 HydrophobicContact CB-CZ2 3.75Å; P207-S382 WeakPolarHBondContact CD-O 3.46Å; P207-R385 HydrophobicContact CG-CB 4.34Å; P207-L389 HydrophobicContact CB-CD1 3.5Å; P207-L389 HydrophobicContact CG-CD1 3.58Å
208Q81.4Confident81.7Confident26 Ų2644.7 Ų44.712%0.12124%0.236CC..PPolyproline II helixtrans-69.5148.1172.6-61.1-173.5-8.400110.8D172D172-Q208 HydrophobicContact CB-CB 4.02Å; D172-Q208 HydrophobicContact CB-CG 4Å
209S74.5Confident81.8Confident44 Ų4444 Ų4431%0.30824%0.24SC..PPolyproline II helixtrans-71137.617555.50000111.7D172 N211D172-S209 VanDerWaalsContact OD2-CB 3.24Å; D172-S209 WeakPolarHBondContact OD2-CB 3.23Å; D172-S209 PolarHBondContact OD2-N 3.27Å; D172-S209 PolarHBondContact OD2-OG 2.9Å; S209-N211 PolarHBondContact O-N 3.04Å
210N64.3Low81.4Confident111 Ų11144.4 Ų44.459%0.59424%0.242SC*.THydrogen-bonded Turntrans-67.8-7.2-177.7-71.14.5000113.9E279N210-E279 PolarHBondContact ND2-OE1 3.33Å; N210-E279 VanDerWaalsContact ND2-OE1 3.16Å
211N54.7Low80.9Confident158 Ų15848.7 Ų48.785%0.84527%0.269SS*.THydrogen-bonded Turntrans-94.40.2-166.6-71.6-13.8000115.6S209S209-N211 PolarHBondContact O-N 3.04Å
212K54.6Low80.1Confident89 Ų8951.1 Ų51.139%0.38728%0.281SS..SBendtrans-122.3146.9175.2-75.9-175.3177.1-177.10110.9S214K212-S214 PolarHBondContact O-N 2.93Å
213Q57.2Low79.4Confident189 Ų18956.2 Ų56.288%0.88331%0.309SS*.  trans-47.1133.2161.7-76.9175.9-14.300108.5T215Q213-T215 PolarHBondContact O-N 2.9Å
214S64.8Low78.7Confident64 Ų6457.9 Ų57.945%0.44832%0.317SS..  trans-49.9113.3-178-63.50000109.6K212 V216K212-S214 PolarHBondContact O-N 2.93Å; S214-V216 PolarHBondContact O-N 3Å
215T75.5Confident78.1Confident33 Ų3358.1 Ų58.120%0.20232%0.318CS..PPolyproline II helixtrans-70.1120.1176.5-61.60000107.7Q213 F217 L329Q213-T215 PolarHBondContact O-N 2.9Å; T215-F217 HydrophobicContact CG2-CD1 4.49Å; T215-F217 HydrophobicContact CG2-CE1 3.9Å; T215-F217 HydrophobicContact CG2-CE2 4.01Å; T215-F217 HydrophobicContact CG2-CZ 3.62Å; T215-L329 HydrophobicContact CG2-CB 4.49Å; T215-L329 HydrophobicContact CG2-CD1 3.43Å; T215-L329 VanDerWaalsContact CG2-CD1 3.43Å; T215-L329 HydrophobicContact CG2-CG 3.83Å
216V82.3Confident77.5Confident73 Ų7361.7 Ų61.744%0.44234%0.337SS..PPolyproline II helixtrans-86.4119.9178.6179.90000108.4S214 G328 L329S214-V216 PolarHBondContact O-N 3Å; V216-G328 CarbonylContact O-C 3.6Å; V216-G328 VanDerWaalsContact O-CA 3.32Å; V216-G328 WeakPolarHBondContact O-CA 3.26Å; V216-L329 PolarHBondContact O-N 2.95Å
217F88.4Confident77Confident18 Ų1867.7 Ų67.78%0.07936%0.364CS..BIsolated β-bridgetrans-97.3126.7173.7-60.5-79.7000110.6L171 L174 T215 V286 P287 L329 L331L171-F217 VanDerWaalsContact O-CZ 3.3Å; L171-F217 WeakPolarHBondContact O-CZ 3.42Å; L174-F217 HydrophobicContact CD1-CE1 4.13Å; T215-F217 HydrophobicContact CG2-CD1 4.49Å; T215-F217 HydrophobicContact CG2-CE1 3.9Å; T215-F217 HydrophobicContact CG2-CE2 4.01Å; T215-F217 HydrophobicContact CG2-CZ 3.62Å; F217-V286 HydrophobicContact CB-CG1 4.33Å; F217-V286 HydrophobicContact CD1-CG1 3.7Å; F217-V286 HydrophobicContact CD1-CG2 4.43Å; F217-V286 HydrophobicContact CD2-CB 4.47Å; F217-V286 HydrophobicContact CD2-CG1 4.31Å; F217-V286 HydrophobicContact CD2-CG2 3.64Å; F217-V286 HydrophobicContact CE1-CG1 4.05Å; F217-V286 HydrophobicContact CE1-CG2 4.43Å; F217-V286 HydrophobicContact CE2-CG2 3.65Å; F217-V286 HydrophobicContact CG-CB 4.43Å; F217-V286 HydrophobicContact CG-CG1 3.85Å; F217-V286 HydrophobicContact CG-CG2 4.05Å; F217-V286 HydrophobicContact CZ-CG1 4.5Å; F217-V286 HydrophobicContact CZ-CG2 4.07Å; F217-P287 HydrophobicContact CB-CG 4.19Å; F217-L329 CarbonylContact C-O 3.43Å; F217-L329 WeakPolarHBondContact CA-O 3.32Å; F217-L329 HydrophobicContact CD1-CB 4.02Å; F217-L329 HydrophobicContact CE1-CB 4.23Å; F217-L329 HydrophobicContact CE1-CD1 4.18Å; F217-L331 HydrophobicContact CD1-CD1 3.71Å; F217-L331 HydrophobicContact CE1-CD1 4Å
218I86.5Confident76.9Confident53 Ų5367 Ų6727%0.27236%0.36SS..  trans-94.3112.6-177.1-59.9172000109L329I218-L329 PolarHBondContact N-O 3.39Å
219G85.5Confident77.1Confident19 Ų1967.9 Ų67.920%0.19637%0.365CS..  trans-92.1-154.5173.400000113.4
220L82.8Confident77.5Confident16 Ų1669.4 Ų69.48%0.08437%0.374CS..SBendtrans-72.5151.8167.4-61.4-175.2000110.2R198 V200 H224 L225 L228R198-L220 VanDerWaalsContact NH1-CD2 3.31Å; R198-L220 VanDerWaalsContact NH2-CD2 3.26Å; V200-L220 HydrophobicContact CB-CD1 4.41Å; V200-L220 HydrophobicContact CG2-CD1 3.74Å; V200-L220 HydrophobicContact CG2-CD2 4.19Å; V200-L220 HydrophobicContact CG2-CG 3.92Å; L220-H224 HydrophobicContact CB-CB 4.44Å; L220-L225 HydrophobicContact CB-CD2 3.9Å; L220-L225 HydrophobicContact CB-CG 4.02Å; L220-L225 HydrophobicContact CD1-CD2 4.14Å; L220-L225 HydrophobicContact CG-CD2 4.38Å; L220-L228 HydrophobicContact CD1-CD1 3.63Å
221P82.1Confident78.5Confident90 Ų9068.3 Ų68.358%0.58436%0.362SS*.  trans-57.7147.1168-21.333000111.3D223 H224 L225P221-D223 VanDerWaalsContact C-N 3.32Å; P221-D223 PolarHBondContact O-N 3.45Å; P221-H224 WeakPolarHBondContact O-CA 3.48Å; P221-H224 WeakPolarHBondContact O-CB 3.47Å; P221-H224 PolarHBondContact O-N 2.88Å; P221-L225 PolarHBondContact O-N 3.34Å
222Q79.5Confident80.2Confident52 Ų5261.9 Ų61.924%0.24333%0.33CS..Hα-helixtrans-53.3-45.9-177.8-175.464.615.400112.7H224 L225 L226 N245Q222-H224 PolarHBondContact O-N 3.49Å; Q222-H224 VanDerWaalsContact O-N 3.17Å; Q222-L225 WeakPolarHBondContact O-CB 3.33Å; Q222-L225 PolarHBondContact O-N 3.11Å; Q222-L226 WeakPolarHBondContact O-CG 3.47Å; Q222-L226 PolarHBondContact O-N 2.77Å; Q222-N245 PolarHBondContact OE1-OD1 3.05Å
223D81.2Confident82Confident118 Ų11862.2 Ų62.263%0.63133%0.333SS*.Hα-helixtrans-58.8-31.9179-62.5-22.6000112.7P221 Q227P221-D223 VanDerWaalsContact C-N 3.32Å; P221-D223 PolarHBondContact O-N 3.45Å; D223-Q227 WeakPolarHBondContact O-CG 3.49Å; D223-Q227 PolarHBondContact O-N 3.22Å
224H82.2Confident83.7Confident36 Ų3654.4 Ų54.417%0.16730%0.296CS..Hα-helixtrans-77.8-38.4176.7-161.6166.5000111.1D196 R198 L220 P221 Q222 L226 Q227 L228D196-H224 IonicContact OD2-CE1 2.73Å; D196-H224 PolarHBondContact OD2-CE1 3.16Å; D196-H224 IonicContact OD2-NE2 3.62Å; D196-H224 PolarHBondContact OD2-NE2 2.97Å; R198-H224 PolarHBondContact NH2-CE1 3.03Å; L220-H224 HydrophobicContact CB-CB 4.44Å; P221-H224 WeakPolarHBondContact O-CA 3.48Å; P221-H224 WeakPolarHBondContact O-CB 3.47Å; P221-H224 PolarHBondContact O-N 2.88Å; Q222-H224 PolarHBondContact O-N 3.49Å; Q222-H224 VanDerWaalsContact O-N 3.17Å; H224-L226 VanDerWaalsContact C-N 3.27Å; H224-L226 PolarHBondContact O-N 3.33Å; H224-Q227 PolarHBondContact O-N 3Å; H224-L228 WeakPolarHBondContact O-CG 3.18Å; H224-L228 PolarHBondContact O-N 3.14Å; H224-L228 VanDerWaalsContact O-N 3.16Å
225L84Confident85.1Confident4 Ų451.9 Ų51.92%0.02128%0.277CS..Hα-helixtrans-58.3-42.7171.8-66.8172.9000111Y190 Y202 L220 P221 Q222 Q227 L228 L229Y190-L225 HydrophobicContact CD1-CD2 3.97Å; Y190-L225 HydrophobicContact CD2-CD2 4.24Å; Y190-L225 HydrophobicContact CE1-CB 4.33Å; Y190-L225 HydrophobicContact CE1-CD2 3.8Å; Y190-L225 HydrophobicContact CE2-CD2 4.09Å; Y190-L225 HydrophobicContact CG-CD2 4.18Å; Y202-L225 HydrophobicContact CE2-CD2 4.24Å; L220-L225 HydrophobicContact CB-CD2 3.9Å; L220-L225 HydrophobicContact CB-CG 4.02Å; L220-L225 HydrophobicContact CD1-CD2 4.14Å; L220-L225 HydrophobicContact CG-CD2 4.38Å; P221-L225 PolarHBondContact O-N 3.34Å; Q222-L225 WeakPolarHBondContact O-CB 3.33Å; Q222-L225 PolarHBondContact O-N 3.11Å; L225-Q227 VanDerWaalsContact C-N 3.33Å; L225-Q227 PolarHBondContact O-N 3.31Å; L225-L228 CarbonylContact O-C 3.57Å; L225-L228 PolarHBondContact O-N 2.93Å; L225-L229 PolarHBondContact O-N 3.14Å; L225-L229 VanDerWaalsContact O-N 3.12Å
226L83.1Confident86.1Confident87 Ų8750.8 Ų50.846%0.45527%0.271SS..Hα-helixtrans-58.8-41.2176.1-68.7177.4000112.6Q222 H224 L228 L229Q222-L226 WeakPolarHBondContact O-CG 3.47Å; Q222-L226 PolarHBondContact O-N 2.77Å; H224-L226 VanDerWaalsContact C-N 3.27Å; H224-L226 PolarHBondContact O-N 3.33Å; L226-L228 PolarHBondContact O-N 3.26Å; L226-L229 HydrophobicContact CD2-CD1 3.72Å; L226-L229 PolarHBondContact O-N 3.38Å
227Q83.8Confident86.6Confident126 Ų12649.4 Ų49.459%0.58926%0.26SS*.Hα-helixtrans-65.9-28175.9-71.7171.330.700113.2D223 H224 L225D223-Q227 WeakPolarHBondContact O-CG 3.49Å; D223-Q227 PolarHBondContact O-N 3.22Å; H224-Q227 PolarHBondContact O-N 3Å; L225-Q227 VanDerWaalsContact C-N 3.33Å; L225-Q227 PolarHBondContact O-N 3.31Å
228L86Confident87Confident0 Ų048.8 Ų48.80%026%0.257CS..Hα-helixtrans-91.6-5.5-178.7-63.9177.1000113.5Y190 I195 L220 H224 L225 L226 P230 Y231 S232Y190-L228 HydrophobicContact CD1-CB 4.03Å; I195-L228 HydrophobicContact CD1-CD2 3.75Å; L220-L228 HydrophobicContact CD1-CD1 3.63Å; H224-L228 WeakPolarHBondContact O-CG 3.18Å; H224-L228 PolarHBondContact O-N 3.14Å; H224-L228 VanDerWaalsContact O-N 3.16Å; L225-L228 CarbonylContact O-C 3.57Å; L225-L228 PolarHBondContact O-N 2.93Å; L226-L228 PolarHBondContact O-N 3.26Å; L228-P230 VanDerWaalsContact C-CD 3.44Å; L228-P230 VanDerWaalsContact C-N 3.35Å; L228-Y231 CarbonylContact O-C 3.6Å; L228-Y231 WeakPolarHBondContact O-CA 3.29Å; L228-Y231 PolarHBondContact O-N 2.99Å; L228-S232 PolarHBondContact O-N 3.13Å; L228-S232 VanDerWaalsContact O-N 3.17Å
229L85.3Confident87.4Confident45 Ų4546.4 Ų46.424%0.23625%0.246CC..G310 helixtrans-54.2-38.8179.7-73.2178.5000114.7Y190 L225 L226 Y231 S232 P532Y190-L229 HydrophobicContact CE1-CD2 4.28Å; L225-L229 PolarHBondContact O-N 3.14Å; L225-L229 VanDerWaalsContact O-N 3.12Å; L226-L229 HydrophobicContact CD2-CD1 3.72Å; L226-L229 PolarHBondContact O-N 3.38Å; L229-Y231 PolarHBondContact O-N 2.58Å; L229-Y231 VanDerWaalsContact O-N 3.14Å; L229-S232 WeakPolarHBondContact CA-OG 3.36Å; L229-S232 PolarHBondContact O-N 3.01Å; L229-S232 PolarHBondContact O-OG 2.77Å; L229-P532 VanDerWaalsContact CD2-O 3.25Å; L229-P532 WeakPolarHBondContact CD2-O 3.2Å
230P83.1Confident87.8Confident77 Ų7745.8 Ų45.850%0.524%0.238SC..G310 helixtrans-63.7-18.8175.7-2436000113.9L228L228-P230 VanDerWaalsContact C-CD 3.44Å; L228-P230 VanDerWaalsContact C-N 3.35Å
231Y85.6Confident88.4Confident87 Ų8745 Ų4534%0.34123%0.234SC..G310 helixtrans-114.916.9-177.4-49-74.8000112.2N191 I195 L228 L229N191-Y231 WeakPolarHBondContact CB-O 3.19Å; N191-Y231 PolarHBondContact N-O 3.15Å; N191-Y231 VanDerWaalsContact N-O 3.1Å; N191-Y231 VanDerWaalsContact O-CB 3.29Å; N191-Y231 WeakPolarHBondContact O-CB 3.25Å; I195-Y231 HydrophobicContact CD1-CE2 4.46Å; L228-Y231 CarbonylContact O-C 3.6Å; L228-Y231 WeakPolarHBondContact O-CA 3.29Å; L228-Y231 PolarHBondContact O-N 2.99Å; L229-Y231 PolarHBondContact O-N 2.58Å; L229-Y231 VanDerWaalsContact O-N 3.14Å
232S90Very high88.9Confident23 Ų2340.8 Ų40.816%0.16121%0.207CC..EExtended strand (participates in β ladder)trans-103.7155.2-179.8680000112.6I189 L228 L229 H234I189-S232 CarbonylContact O-C 3.46Å; I189-S232 WeakPolarHBondContact O-CA 3.23Å; I189-S232 WeakPolarHBondContact O-CB 3.48Å; L228-S232 PolarHBondContact O-N 3.13Å; L228-S232 VanDerWaalsContact O-N 3.17Å; L229-S232 WeakPolarHBondContact CA-OG 3.36Å; L229-S232 PolarHBondContact O-N 3.01Å; L229-S232 PolarHBondContact O-OG 2.77Å; S232-H234 WeakPolarHBondContact CB-NE2 3.35Å; S232-H234 PolarHBondContact OG-NE2 2.92Å
233Q92.5Very high89.4Confident97 Ų9738.3 Ų38.345%0.45320%0.196SC..EExtended strand (participates in β ladder)trans-130.1137.7173.3-62.1179.7-4.700108.6S188 I189 P305S188-Q233 CarbonylContact C-O 3.56Å; S188-Q233 VanDerWaalsContact CA-O 3.26Å; S188-Q233 WeakPolarHBondContact CA-O 3.43Å; I189-Q233 HydrophobicContact CB-CB 4.46Å; I189-Q233 PolarHBondContact N-O 2.87Å; I189-Q233 PolarHBondContact O-N 3.38Å; Q233-P305 HydrophobicContact CB-CG 3.75Å
234H94Very high89.7Confident25 Ų2532.9 Ų32.912%0.11617%0.166CC..EExtended strand (participates in β ladder)trans-134.5146.3-176-51.9-72.5000110.1S188 Y190 S232 P236 T410S188-H234 VanDerWaalsContact CB-ND1 3.33Å; S188-H234 WeakPolarHBondContact CB-ND1 3.29Å; S188-H234 PolarHBondContact OG-ND1 2.88Å; Y190-H234 AromaticContact CE1-CE1 3.91Å; Y190-H234 AromaticContact CZ-CE1 3.55Å; Y190-H234 PolarHBondContact OH-CE1 3.36Å; S232-H234 WeakPolarHBondContact CB-NE2 3.35Å; S232-H234 PolarHBondContact OG-NE2 2.92Å; H234-P236 WeakPolarHBondContact O-CD 3.44Å; H234-T410 HydrophobicContact CB-CG2 4.09Å
235D94.5Very high89.3Confident10 Ų1031.6 Ų31.65%0.05316%0.161CC..  trans-95106.3161.1-174.6-47.2000107.9I187 H237 L238 A239 P305 K350I187-D235 PolarHBondContact O-N 3.22Å; D235-H237 VanDerWaalsContact C-N 3.26Å; D235-H237 PolarHBondContact O-N 3.11Å; D235-H237 WeakPolarHBondContact OD1-CB 3.5Å; D235-H237 PolarHBondContact OD1-N 3.37Å; D235-H237 VanDerWaalsContact OD1-N 3.14Å; D235-L238 HydrophobicContact CB-CB 3.98Å; D235-L238 HydrophobicContact CB-CD1 3.96Å; D235-L238 HydrophobicContact CB-CG 4.05Å; D235-L238 PolarHBondContact O-N 3.18Å; D235-L238 VanDerWaalsContact O-N 3.16Å; D235-L238 PolarHBondContact OD1-N 2.99Å; D235-A239 WeakPolarHBondContact O-CB 3.27Å; D235-A239 PolarHBondContact O-N 3.49Å; D235-P305 HydrophobicContact CB-CB 3.66Å; D235-K350 IonicContact OD1-NZ 2.95Å; D235-K350 PolarHBondContact OD1-NZ 2.76Å; D235-K350 WeakPolarHBondContact OD2-CE 3.5Å; D235-K350 IonicContact OD2-NZ 3.76Å; D235-K350 PolarHBondContact OD2-NZ 3.36Å
236P94.7Very high88.4Confident10 Ų1032 Ų327%0.06516%0.163CC..Hα-helixtrans-59.3-37.5-174.7-25.535000112.8H234 A239 A240 P408 T410 C471H234-P236 WeakPolarHBondContact O-CD 3.44Å; P236-A239 PolarHBondContact O-N 2.85Å; P236-A240 WeakPolarHBondContact O-CB 3.49Å; P236-A240 PolarHBondContact O-N 3.08Å; P236-P408 HydrophobicContact CB-CB 4.17Å; P236-P408 HydrophobicContact CB-CG 4.17Å; P236-P408 HydrophobicContact CG-CB 4.46Å; P236-P408 HydrophobicContact CG-CG 4.39Å; P236-T410 HydrophobicContact CG-CG2 3.82Å; P236-C471 HydrophobicContact CB-CB 4.21Å
237H94.1Very high87Confident45 Ų4532.8 Ų32.821%0.20816%0.164CC..Hα-helixtrans-64.9-45.9177.7170.8-76.3000111.1D235 L241 P408 C471 W599D235-H237 VanDerWaalsContact C-N 3.26Å; D235-H237 PolarHBondContact O-N 3.11Å; D235-H237 WeakPolarHBondContact OD1-CB 3.5Å; D235-H237 PolarHBondContact OD1-N 3.37Å; D235-H237 VanDerWaalsContact OD1-N 3.14Å; H237-L241 VanDerWaalsContact O-CB 3.25Å; H237-L241 WeakPolarHBondContact O-CB 3.44Å; H237-L241 PolarHBondContact O-N 3.47Å; H237-P408 HydrophobicContact CB-CG 4.27Å; H237-C471 HydrophobicContact CB-CB 4.46Å; H237-W599 AromaticContact CD2-CH2 3.54Å; H237-W599 AromaticContact CD2-CZ3 3.82Å; H237-W599 AromaticContact NE2-CH2 3.46Å; H237-W599 WeakPolarHBondContact NE2-CH2 3.23Å
238L95.7Very high85.5Confident4 Ų430.5 Ų30.52%0.02115%0.153CC..Hα-helixtrans-69.4-37.3177.3-64.2178.3000112.4Q185 I186 I187 W204 D235 A240 L241 T242Q185-L238 VanDerWaalsContact CD-CD1 3.49Å; Q185-L238 HydrophobicContact CG-CD1 3.87Å; Q185-L238 VanDerWaalsContact OE1-CD2 3.31Å; I186-L238 WeakPolarHBondContact O-CD1 3.48Å; I187-L238 HydrophobicContact CG1-CB 4.32Å; I187-L238 HydrophobicContact CG2-CB 4.14Å; W204-L238 HydrophobicContact CZ2-CD2 4.19Å; D235-L238 HydrophobicContact CB-CB 3.98Å; D235-L238 HydrophobicContact CB-CD1 3.96Å; D235-L238 HydrophobicContact CB-CG 4.05Å; D235-L238 PolarHBondContact O-N 3.18Å; D235-L238 VanDerWaalsContact O-N 3.16Å; D235-L238 PolarHBondContact OD1-N 2.99Å; L238-A240 VanDerWaalsContact C-N 3.34Å; L238-L241 HydrophobicContact CD2-CD2 4.27Å; L238-L241 PolarHBondContact O-N 3.43Å; L238-T242 WeakPolarHBondContact O-CB 3.31Å; L238-T242 WeakPolarHBondContact O-CG2 3.29Å; L238-T242 PolarHBondContact O-N 3.46Å; L238-T242 PolarHBondContact O-OG1 3.12Å
239A95Very high83.4Confident4 Ų431.4 Ų31.43%0.03316%0.157CC..Hα-helixtrans-61.1-46.6176.200000110.7I187 D235 P236 G243 H244 P532I187-A239 HydrophobicContact CG2-CB 4.17Å; D235-A239 WeakPolarHBondContact O-CB 3.27Å; D235-A239 PolarHBondContact O-N 3.49Å; P236-A239 PolarHBondContact O-N 2.85Å; A239-G243 WeakPolarHBondContact O-CA 3.36Å; A239-G243 PolarHBondContact O-N 3.11Å; A239-H244 HydrophobicContact CB-CB 4.34Å; A239-H244 PolarHBondContact O-N 3.3Å; A239-H244 VanDerWaalsContact O-N 3.15Å; A239-P532 HydrophobicContact CB-CG 3.7Å
240A94.7Very high81.6Confident5 Ų533.2 Ų33.24%0.04117%0.167CC..Hα-helixtrans-63.7-45.3175.800000112.4P236 L238 C471 R473 W599P236-A240 WeakPolarHBondContact O-CB 3.49Å; P236-A240 PolarHBondContact O-N 3.08Å; L238-A240 VanDerWaalsContact C-N 3.34Å; A240-C471 HydrophobicContact CB-CB 4.25Å; A240-R473 PolarHBondContact O-NE 3.06Å; A240-R473 PolarHBondContact O-NH2 2.84Å; A240-W599 HydrophobicContact CB-CB 3.96Å; A240-W599 HydrophobicContact CB-CD2 4.06Å; A240-W599 HydrophobicContact CB-CE3 3.65Å; A240-W599 HydrophobicContact CB-CG 4.25Å; A240-W599 HydrophobicContact CB-CZ3 4.42Å
241L94.2Very high79.9Confident1 Ų134.7 Ų34.71%0.00517%0.167CC..Hα-helixtrans-60.2-51176.9173.866000112.4W204 H237 L238 I387 R390 R473 W599W204-L241 HydrophobicContact CH2-CD2 3.53Å; W204-L241 HydrophobicContact CH2-CG 4.4Å; W204-L241 HydrophobicContact CZ2-CD2 3.68Å; W204-L241 HydrophobicContact CZ3-CD2 4.31Å; H237-L241 VanDerWaalsContact O-CB 3.25Å; H237-L241 WeakPolarHBondContact O-CB 3.44Å; H237-L241 PolarHBondContact O-N 3.47Å; L238-L241 HydrophobicContact CD2-CD2 4.27Å; L238-L241 PolarHBondContact O-N 3.43Å; L241-I387 HydrophobicContact CD2-CG1 3.84Å; L241-R390 HydrophobicContact CD1-CB 3.64Å; L241-R390 WeakPolarHBondContact CD1-O 3.46Å; L241-R390 VanDerWaalsContact O-CD 3.3Å; L241-R390 WeakPolarHBondContact O-CD 3.43Å; L241-R390 PolarHBondContact O-NH1 3.11Å; L241-R390 VanDerWaalsContact O-NH1 3.09Å; L241-R473 PolarHBondContact O-NH2 3.37Å; L241-W599 HydrophobicContact CB-CZ2 4.37Å; L241-W599 HydrophobicContact CD1-CZ2 4.2Å
242T93.7Very high77.9Confident0 Ų034 Ų340%017%0.169CC..Hα-helixtrans-79.5-21.1-172.457.90000113.1I187 W204 L238 D283 W284 R390I187-T242 HydrophobicContact CD1-CG2 3.82Å; I187-T242 HydrophobicContact CG1-CG2 4.26Å; W204-T242 HydrophobicContact CB-CG2 4.08Å; W204-T242 HydrophobicContact CD2-CG2 3.47Å; W204-T242 VanDerWaalsContact CD2-CG2 3.47Å; W204-T242 HydrophobicContact CE3-CG2 3.76Å; W204-T242 HydrophobicContact CG-CG2 3.58Å; W204-T242 HydrophobicContact CZ3-CG2 4.43Å; L238-T242 WeakPolarHBondContact O-CB 3.31Å; L238-T242 WeakPolarHBondContact O-CG2 3.29Å; L238-T242 PolarHBondContact O-N 3.46Å; L238-T242 PolarHBondContact O-OG1 3.12Å; T242-D283 WeakPolarHBondContact O-CA 3.18Å; T242-W284 HydrophobicContact CG2-CB 4.38Å; T242-W284 PolarHBondContact O-N 2.92Å; T242-R390 PolarHBondContact O-NH1 3.37Å; T242-R390 VanDerWaalsContact O-NH1 3.13Å
243G89.7Confident75.9Confident1 Ų134.2 Ų34.21%0.0117%0.168CC..THydrogen-bonded Turntrans76.228.9-17400000113.2A239 N245 L246A239-G243 WeakPolarHBondContact O-CA 3.36Å; A239-G243 PolarHBondContact O-N 3.11Å; G243-N245 PolarHBondContact O-N 2.98Å; G243-L246 WeakPolarHBondContact O-CG 3.38Å; G243-L246 PolarHBondContact O-N 3.16Å
244H87.9Confident73.7Confident4 Ų433.8 Ų33.82%0.01917%0.172CC..THydrogen-bonded Turntrans-57.9123.8-178.5173.846.9000111.2I187 S188 Y202 A239 L246 D283 S285 P532I187-H244 HydrophobicContact CG2-CB 4Å; S188-H244 WeakPolarHBondContact CB-NE2 3.17Å; S188-H244 PolarHBondContact OG-CD2 3.16Å; S188-H244 PolarHBondContact OG-NE2 3.1Å; Y202-H244 AromaticContact CD1-CE1 3.13Å; Y202-H244 WeakPolarHBondContact CD1-CE1 3.28Å; Y202-H244 AromaticContact CD1-ND1 3.31Å; Y202-H244 VanDerWaalsContact CD1-ND1 3.31Å; Y202-H244 WeakPolarHBondContact CD1-ND1 3.44Å; Y202-H244 AromaticContact CD2-CE1 3.55Å; Y202-H244 AromaticContact CE1-CE1 3.41Å; Y202-H244 VanDerWaalsContact CE1-CE1 3.41Å; Y202-H244 WeakPolarHBondContact CE1-CE1 3.49Å; Y202-H244 AromaticContact CE1-ND1 3.75Å; Y202-H244 AromaticContact CE2-CE1 3.84Å; Y202-H244 AromaticContact CG-CE1 3.18Å; Y202-H244 AromaticContact CG-ND1 3.68Å; Y202-H244 AromaticContact CG-NE2 3.94Å; Y202-H244 AromaticContact CZ-CE1 3.75Å; A239-H244 HydrophobicContact CB-CB 4.34Å; A239-H244 PolarHBondContact O-N 3.3Å; A239-H244 VanDerWaalsContact O-N 3.15Å; H244-L246 PolarHBondContact O-N 3.13Å; H244-D283 WeakPolarHBondContact CA-OD1 3.37Å; H244-S285 PolarHBondContact ND1-OG 3.22Å; H244-P532 WeakPolarHBondContact CD2-CG 3.49Å
245N73.1Confident71.4Confident9 Ų937.8 Ų37.85%0.04819%0.189CC..THydrogen-bonded Turntrans71.914.6174.2-141.436.7000116.8Q222 G243 Q247 D283Q222-N245 PolarHBondContact OE1-OD1 3.05Å; G243-N245 PolarHBondContact O-N 2.98Å; N245-Q247 PolarHBondContact O-N 3.38Å; N245-D283 PolarHBondContact N-OD2 2.88Å
246L65.8Low69Low11 Ų1142.4 Ų42.46%0.05821%0.214CC..THydrogen-bonded Turntrans-71.718174.3-65.2175.1000115G243 H244 Q248 W249 R473 V475 E530G243-L246 WeakPolarHBondContact O-CG 3.38Å; G243-L246 PolarHBondContact O-N 3.16Å; H244-L246 PolarHBondContact O-N 3.13Å; L246-Q248 PolarHBondContact O-N 3.25Å; L246-Q248 VanDerWaalsContact O-N 3.09Å; L246-W249 WeakPolarHBondContact O-CB 3.31Å; L246-W249 PolarHBondContact O-N 3.17Å; L246-R473 HydrophobicContact CD1-CG 4.45Å; L246-R473 HydrophobicContact CD2-CB 4.06Å; L246-V475 HydrophobicContact CD2-CG1 3.93Å; L246-E530 HydrophobicContact CD2-CB 4.42Å; L246-E530 HydrophobicContact CD2-CG 4.42Å
247Q53.1Low66.7Low105 Ų10543.8 Ų43.849%0.49122%0.218SC..Hα-helixtrans-59.1-28.5-173.3-71-174.2-12.400112.4N245 W249 N250 E251N245-Q247 PolarHBondContact O-N 3.38Å; Q247-W249 PolarHBondContact O-N 3.4Å; Q247-N250 PolarHBondContact O-N 3.4Å; Q247-E251 PolarHBondContact O-N 3.21Å
248Q51.9Low64.3Low77 Ų7748.8 Ų48.836%0.3624%0.241SC..Hα-helixtrans-58.2-35.7174.7-68.9-167.55.500112.8L246 E251 N252L246-Q248 PolarHBondContact O-N 3.25Å; L246-Q248 VanDerWaalsContact O-N 3.09Å; Q248-E251 PolarHBondContact O-N 2.92Å; Q248-N252 VanDerWaalsContact O-CB 3.29Å; Q248-N252 WeakPolarHBondContact O-CB 3.33Å; Q248-N252 PolarHBondContact O-N 3.4Å; Q248-N252 PolarHBondContact O-ND2 3.03Å
249W43.8Very low62Low20 Ų2054.2 Ų54.28%0.07628%0.275CS..Hα-helixtrans-69.1-43.2-177.6-173.686.5000112.5L246 Q247 E251 N252 I253 F281 V475L246-W249 WeakPolarHBondContact O-CB 3.31Å; L246-W249 PolarHBondContact O-N 3.17Å; Q247-W249 PolarHBondContact O-N 3.4Å; W249-E251 PolarHBondContact O-N 2.91Å; W249-N252 PolarHBondContact O-N 3.34Å; W249-I253 HydrophobicContact CD2-CD1 4.26Å; W249-I253 HydrophobicContact CD2-CG1 4.18Å; W249-I253 HydrophobicContact CE3-CD1 4.35Å; W249-I253 HydrophobicContact CE3-CG1 4.47Å; W249-I253 HydrophobicContact CH2-CD1 3.11Å; W249-I253 HydrophobicContact CH2-CG1 4.04Å; W249-I253 HydrophobicContact CZ2-CD1 2.96Å; W249-I253 HydrophobicContact CZ2-CG1 3.71Å; W249-I253 HydrophobicContact CZ3-CD1 3.81Å; W249-I253 HydrophobicContact CZ3-CG1 4.38Å; W249-I253 PolarHBondContact O-N 2.95Å; W249-F281 AromaticContact CD2-CD1 3.6Å; W249-F281 HydrophobicContact CD2-CD1 3.6Å; W249-F281 AromaticContact CD2-CE1 3.58Å; W249-F281 HydrophobicContact CD2-CE1 3.58Å; W249-F281 HydrophobicContact CD2-CG 4.44Å; W249-F281 HydrophobicContact CD2-CZ 4.46Å; W249-F281 AromaticContact CE2-CD1 3.77Å; W249-F281 AromaticContact CE2-CE1 3.22Å; W249-F281 AromaticContact CE2-CZ 3.77Å; W249-F281 HydrophobicContact CE3-CB 4.13Å; W249-F281 AromaticContact CE3-CD1 3.25Å; W249-F281 HydrophobicContact CE3-CD1 3.25Å; W249-F281 HydrophobicContact CE3-CD2 4.44Å; W249-F281 AromaticContact CE3-CE1 3.67Å; W249-F281 HydrophobicContact CE3-CE1 3.67Å; W249-F281 AromaticContact CE3-CG 3.69Å; W249-F281 HydrophobicContact CE3-CG 3.69Å; W249-F281 HydrophobicContact CE3-CZ 4.47Å; W249-F281 HydrophobicContact CG-CE1 4.48Å; W249-F281 HydrophobicContact CH2-CB 4.35Å; W249-F281 AromaticContact CH2-CD1 3.25Å; W249-F281 HydrophobicContact CH2-CD1 3.25Å; W249-F281 AromaticContact CH2-CD2 3.23Å; W249-F281 HydrophobicContact CH2-CD2 3.23Å; W249-F281 AromaticContact CH2-CE1 3.06Å; W249-F281 HydrophobicContact CH2-CE1 3.06Å; W249-F281 AromaticContact CH2-CE2 3.11Å; W249-F281 HydrophobicContact CH2-CE2 3.11Å; W249-F281 AromaticContact CH2-CG 3.32Å; W249-F281 HydrophobicContact CH2-CG 3.32Å; W249-F281 AromaticContact CH2-CZ 3.02Å; W249-F281 HydrophobicContact CH2-CZ 3.02Å; W249-F281 AromaticContact CZ2-CD1 3.59Å; W249-F281 HydrophobicContact CZ2-CD1 3.59Å; W249-F281 HydrophobicContact CZ2-CD2 4.11Å; W249-F281 AromaticContact CZ2-CE1 2.92Å; W249-F281 HydrophobicContact CZ2-CE1 2.92Å; W249-F281 AromaticContact CZ2-CE2 3.6Å; W249-F281 HydrophobicContact CZ2-CE2 3.6Å; W249-F281 HydrophobicContact CZ2-CG 4.12Å; W249-F281 AromaticContact CZ2-CZ 2.96Å; W249-F281 HydrophobicContact CZ2-CZ 2.96Å; W249-F281 HydrophobicContact CZ3-CB 3.68Å; W249-F281 AromaticContact CZ3-CD1 3.1Å; W249-F281 HydrophobicContact CZ3-CD1 3.1Å; W249-F281 AromaticContact CZ3-CD2 3.46Å; W249-F281 HydrophobicContact CZ3-CD2 3.46Å; W249-F281 VanDerWaalsContact CZ3-CD2 3.46Å; W249-F281 AromaticContact CZ3-CE1 3.46Å; W249-F281 HydrophobicContact CZ3-CE1 3.46Å; W249-F281 VanDerWaalsContact CZ3-CE1 3.46Å; W249-F281 AromaticContact CZ3-CE2 3.86Å; W249-F281 HydrophobicContact CZ3-CE2 3.86Å; W249-F281 AromaticContact CZ3-CG 3.09Å; W249-F281 HydrophobicContact CZ3-CG 3.09Å; W249-F281 AromaticContact CZ3-CZ 3.85Å; W249-F281 HydrophobicContact CZ3-CZ 3.85Å; W249-V475 PolarHBondContact NE1-O 3.07Å; W249-V475 VanDerWaalsContact NE1-O 3.13Å
250N46.8Very low59.6Low82 Ų8260.6 Ų60.644%0.43930%0.299SS..Hα-helixtrans-60.1-37.1176.9-73.2-32.8000111.5Q247 V254Q247-N250 PolarHBondContact O-N 3.4Å; N250-V254 WeakPolarHBondContact O-CG2 3.26Å
251E47.5Very low57.3Low109 Ų10963.3 Ų63.351%0.50932%0.322SS..Hα-helixtrans-74.9-40.8176.4-67.2-171.9-171.300113.3Q247 Q248 W249 V254 K255Q247-E251 PolarHBondContact O-N 3.21Å; Q248-E251 PolarHBondContact O-N 2.92Å; W249-E251 PolarHBondContact O-N 2.91Å; E251-V254 PolarHBondContact O-N 3.27Å; E251-K255 WeakPolarHBondContact O-CG 3.43Å; E251-K255 PolarHBondContact O-N 2.97Å; E251-K255 IonicContact OE2-NZ 3.08Å; E251-K255 PolarHBondContact OE2-NZ 3.49Å
252N43Very low55Low73 Ų7371.2 Ų71.239%0.3936%0.358SS..Hα-helixtrans-72.1-32.1-177.1-73.9-17.4000112.5Q248 W249 K255 N256Q248-N252 VanDerWaalsContact O-CB 3.29Å; Q248-N252 WeakPolarHBondContact O-CB 3.33Å; Q248-N252 PolarHBondContact O-N 3.4Å; Q248-N252 PolarHBondContact O-ND2 3.03Å; W249-N252 PolarHBondContact O-N 3.34Å; N252-K255 PolarHBondContact O-N 2.87Å; N252-N256 VanDerWaalsContact O-CB 3.27Å; N252-N256 WeakPolarHBondContact O-CB 3.15Å; N252-N256 PolarHBondContact O-N 3.48Å
253I48.4Very low52.8Low27 Ų2778.7 Ų78.714%0.13839%0.393CS..Hα-helixtrans-59.6-52.7167.8-87.9-151.2000110W249 K255 N256 Y257W249-I253 HydrophobicContact CD2-CD1 4.26Å; W249-I253 HydrophobicContact CD2-CG1 4.18Å; W249-I253 HydrophobicContact CE3-CD1 4.35Å; W249-I253 HydrophobicContact CE3-CG1 4.47Å; W249-I253 HydrophobicContact CH2-CD1 3.11Å; W249-I253 HydrophobicContact CH2-CG1 4.04Å; W249-I253 HydrophobicContact CZ2-CD1 2.96Å; W249-I253 HydrophobicContact CZ2-CG1 3.71Å; W249-I253 HydrophobicContact CZ3-CD1 3.81Å; W249-I253 HydrophobicContact CZ3-CG1 4.38Å; W249-I253 PolarHBondContact O-N 2.95Å; I253-K255 VanDerWaalsContact C-N 3.26Å; I253-K255 PolarHBondContact O-N 3.3Å; I253-N256 PolarHBondContact O-N 2.96Å; I253-Y257 HydrophobicContact CB-CD2 4.27Å; I253-Y257 HydrophobicContact CD1-CE2 4.06Å; I253-Y257 HydrophobicContact CG1-CD2 4.43Å; I253-Y257 HydrophobicContact CG1-CE2 4.22Å; I253-Y257 HydrophobicContact CG2-CD2 3.76Å; I253-Y257 HydrophobicContact CG2-CE2 4.12Å; I253-Y257 VanDerWaalsContact O-CB 3.29Å; I253-Y257 WeakPolarHBondContact O-CB 3.44Å; I253-Y257 WeakPolarHBondContact O-CD2 3.36Å; I253-Y257 PolarHBondContact O-N 3.05Å
254V45.4Very low50.9Low87 Ų8782.6 Ų82.653%0.52741%0.414SS..Hα-helixtrans-57.1-43.3-178.51760000110.9N250 E251 E258N250-V254 WeakPolarHBondContact O-CG2 3.26Å; E251-V254 PolarHBondContact O-N 3.27Å; V254-E258 WeakPolarHBondContact O-CG 3.35Å; V254-E258 PolarHBondContact O-N 3.11Å
255K46.4Very low48.7Very low110 Ų11084.5 Ų84.548%0.47842%0.424SS..Hα-helixtrans-69.7-43-180-69.9169-173.1158.90114.3E251 N252 I253 Y257E251-K255 WeakPolarHBondContact O-CG 3.43Å; E251-K255 PolarHBondContact O-N 2.97Å; E251-K255 IonicContact OE2-NZ 3.08Å; E251-K255 PolarHBondContact OE2-NZ 3.49Å; N252-K255 PolarHBondContact O-N 2.87Å; I253-K255 VanDerWaalsContact C-N 3.26Å; I253-K255 PolarHBondContact O-N 3.3Å; K255-Y257 VanDerWaalsContact C-N 3.29Å; K255-Y257 PolarHBondContact O-N 3.04Å
256N44.9Very low47.4Very low106 Ų10689 Ų8957%0.56745%0.448SS*.Hα-helixtrans-75.2-20.9-179.4-71.8-12.7000112.3N252 I253 T259N252-N256 VanDerWaalsContact O-CB 3.27Å; N252-N256 WeakPolarHBondContact O-CB 3.15Å; N252-N256 PolarHBondContact O-N 3.48Å; I253-N256 PolarHBondContact O-N 2.96Å; N256-T259 PolarHBondContact O-OG1 3.38Å
257Y45.4Very low46.6Very low39 Ų3994.7 Ų94.715%0.15347%0.472CS..Hα-helixtrans-84-24.3178.2-88.5-74.1000114I253 K255 T259 Y260 L265 V268 N272I253-Y257 HydrophobicContact CB-CD2 4.27Å; I253-Y257 HydrophobicContact CD1-CE2 4.06Å; I253-Y257 HydrophobicContact CG1-CD2 4.43Å; I253-Y257 HydrophobicContact CG1-CE2 4.22Å; I253-Y257 HydrophobicContact CG2-CD2 3.76Å; I253-Y257 HydrophobicContact CG2-CE2 4.12Å; I253-Y257 VanDerWaalsContact O-CB 3.29Å; I253-Y257 WeakPolarHBondContact O-CB 3.44Å; I253-Y257 WeakPolarHBondContact O-CD2 3.36Å; I253-Y257 PolarHBondContact O-N 3.05Å; K255-Y257 VanDerWaalsContact C-N 3.29Å; K255-Y257 PolarHBondContact O-N 3.04Å; Y257-T259 PolarHBondContact O-N 2.86Å; Y257-Y260 AromaticContact CD1-CD2 3.91Å; Y257-Y260 HydrophobicContact CD1-CD2 3.91Å; Y257-Y260 HydrophobicContact CD1-CE2 4.21Å; Y257-Y260 HydrophobicContact CE1-CD2 4.42Å; Y257-Y260 HydrophobicContact CE1-CE2 4.38Å; Y257-Y260 PolarHBondContact O-N 3.05Å; Y257-L265 HydrophobicContact CD1-CD1 3.91Å; Y257-L265 HydrophobicContact CG-CD1 4.08Å; Y257-V268 HydrophobicContact CD1-CG1 4.45Å; Y257-V268 HydrophobicContact CE1-CB 4.16Å; Y257-V268 HydrophobicContact CE1-CG1 3.38Å; Y257-V268 WeakPolarHBondContact OH-CG1 3.33Å; Y257-N272 PolarHBondContact OH-ND2 3.05Å
258E43.3Very low46.1Very low150 Ų15091.8 Ų91.870%0.70146%0.461SS*.THydrogen-bonded Turntrans-60.1-12.6170.4-76.7177.2179.200113.5V254V254-E258 WeakPolarHBondContact O-CG 3.35Å; V254-E258 PolarHBondContact O-N 3.11Å
259T48.1Very low45.8Very low119 Ų11990.8 Ų90.873%0.7346%0.458SS*.THydrogen-bonded Turntrans-83.6-10.3176.1-10.80000113.6N256 Y257N256-T259 PolarHBondContact O-OG1 3.38Å; Y257-T259 PolarHBondContact O-N 2.86Å
260Y44.2Very low45.8Very low138 Ų13897.1 Ų97.154%0.54149%0.489SS..SBendtrans-93150.7176.6-65.3-89.5000111.1Y257Y257-Y260 AromaticContact CD1-CD2 3.91Å; Y257-Y260 HydrophobicContact CD1-CD2 3.91Å; Y257-Y260 HydrophobicContact CD1-CE2 4.21Å; Y257-Y260 HydrophobicContact CE1-CD2 4.42Å; Y257-Y260 HydrophobicContact CE1-CE2 4.38Å; Y257-Y260 PolarHBondContact O-N 3.05Å
261A46.8Very low45.8Very low62 Ų6297.2 Ų97.251%0.51250%0.496SS..  trans-59.8142173.500000110.1E263 D264 L265A261-E263 PolarHBondContact O-N 3.47Å; A261-D264 WeakPolarHBondContact O-CA 3.44Å; A261-D264 WeakPolarHBondContact O-CB 3.46Å; A261-D264 PolarHBondContact O-N 3.47Å; A261-L265 PolarHBondContact O-N 3.42Å; A261-L265 VanDerWaalsContact O-N 3.11Å
262E46.2Very low45.6Very low166 Ų16694 Ų9478%0.77648%0.482SS*.Hα-helixtrans-52.6-32.3-174.9-156.1172.8-167.400113L265E262-L265 WeakPolarHBondContact O-CB 3.28Å; E262-L265 PolarHBondContact O-N 2.96Å
263E47Very low45.6Very low158 Ų15893.8 Ų93.874%0.73848%0.478SS*.Hα-helixtrans-73-24.9176.3-65-174.6-179.700114.7A261A261-E263 PolarHBondContact O-N 3.47Å
264D50.4Low45.3Very low82 Ų8295.6 Ų95.644%0.43949%0.493SS..Hα-helixtrans-85.5-28.7174.1-71.8-36.9000110.9A261 K267 V268A261-D264 WeakPolarHBondContact O-CA 3.44Å; A261-D264 WeakPolarHBondContact O-CB 3.46Å; A261-D264 PolarHBondContact O-N 3.47Å; D264-K267 PolarHBondContact O-N 3.49Å; D264-V268 VanDerWaalsContact O-CB 3.29Å; D264-V268 WeakPolarHBondContact O-CB 3.32Å; D264-V268 WeakPolarHBondContact O-CG2 3.37Å; D264-V268 PolarHBondContact O-N 3.37Å
265L40.5Very low45.3Very low44 Ų4496.2 Ų96.223%0.2350%0.501CS..Hα-helixtrans-60-51.7179.3-17561.3000111.6Y257 A261 E262 K267 V268 L269Y257-L265 HydrophobicContact CD1-CD1 3.91Å; Y257-L265 HydrophobicContact CG-CD1 4.08Å; A261-L265 PolarHBondContact O-N 3.42Å; A261-L265 VanDerWaalsContact O-N 3.11Å; E262-L265 WeakPolarHBondContact O-CB 3.28Å; E262-L265 PolarHBondContact O-N 2.96Å; L265-K267 PolarHBondContact O-N 2.68Å; L265-V268 PolarHBondContact O-N 2.73Å; L265-L269 HydrophobicContact CD1-CD1 3.95Å; L265-L269 HydrophobicContact CD1-CG 4.1Å; L265-L269 HydrophobicContact CG-CD1 3.82Å; L265-L269 HydrophobicContact CG-CG 4.34Å; L265-L269 VanDerWaalsContact O-CB 3.29Å; L265-L269 WeakPolarHBondContact O-CB 3.29Å; L265-L269 WeakPolarHBondContact O-CG 3.44Å; L265-L269 PolarHBondContact O-N 3.15Å
266D45.9Very low45.2Very low104 Ų10496.1 Ų96.156%0.55651%0.506SS*.Hα-helixtrans-65.6-39.6-178.8-80.7-18.2000112.7L269 E270D266-L269 PolarHBondContact O-N 3.38Å; D266-E270 VanDerWaalsContact O-CB 3.31Å; D266-E270 WeakPolarHBondContact O-CB 3.43Å; D266-E270 WeakPolarHBondContact O-CG 3.17Å; D266-E270 PolarHBondContact O-N 2.8Å
267K49Very low45.5Very low131 Ų13191.9 Ų91.957%0.5749%0.485SS*.Hα-helixtrans-68.4-36.7177.6-71.1175.3-173.6155.70112.3D264 L265 S271D264-K267 PolarHBondContact O-N 3.49Å; L265-K267 PolarHBondContact O-N 2.68Å; K267-S271 VanDerWaalsContact O-CB 3.27Å; K267-S271 WeakPolarHBondContact O-CB 3.16Å; K267-S271 PolarHBondContact O-N 3.34Å; K267-S271 PolarHBondContact O-OG 3.12Å
268V43.9Very low45.9Very low43 Ų4395.7 Ų95.726%0.26151%0.505SS..Hα-helixtrans-76.8-36.6178.4179.70000110.7Y257 D264 L265 S271 N272Y257-V268 HydrophobicContact CD1-CG1 4.45Å; Y257-V268 HydrophobicContact CE1-CB 4.16Å; Y257-V268 HydrophobicContact CE1-CG1 3.38Å; Y257-V268 WeakPolarHBondContact OH-CG1 3.33Å; D264-V268 VanDerWaalsContact O-CB 3.29Å; D264-V268 WeakPolarHBondContact O-CB 3.32Å; D264-V268 WeakPolarHBondContact O-CG2 3.37Å; D264-V268 PolarHBondContact O-N 3.37Å; L265-V268 PolarHBondContact O-N 2.73Å; V268-S271 WeakPolarHBondContact CA-OG 3.38Å; V268-S271 PolarHBondContact O-OG 3.48Å; V268-N272 WeakPolarHBondContact CG1-ND2 3.48Å; V268-N272 WeakPolarHBondContact O-CB 3.4Å; V268-N272 VanDerWaalsContact O-CG 3.22Å; V268-N272 PolarHBondContact O-N 2.63Å; V268-N272 PolarHBondContact O-ND2 3.03Å
269L44.6Very low46.7Very low56 Ų5692.2 Ų92.229%0.29349%0.489SS..Hα-helixtrans-65.3-46170.6-68.7174.9000111L265 D266 S271 F273L265-L269 HydrophobicContact CD1-CD1 3.95Å; L265-L269 HydrophobicContact CD1-CG 4.1Å; L265-L269 HydrophobicContact CG-CD1 3.82Å; L265-L269 HydrophobicContact CG-CG 4.34Å; L265-L269 VanDerWaalsContact O-CB 3.29Å; L265-L269 WeakPolarHBondContact O-CB 3.29Å; L265-L269 WeakPolarHBondContact O-CG 3.44Å; L265-L269 PolarHBondContact O-N 3.15Å; D266-L269 PolarHBondContact O-N 3.38Å; L269-S271 PolarHBondContact O-N 3.35Å; L269-F273 HydrophobicContact CB-CD2 4.17Å; L269-F273 HydrophobicContact CD2-CD2 3.76Å; L269-F273 HydrophobicContact CD2-CE2 3.41Å; L269-F273 VanDerWaalsContact CD2-CE2 3.41Å; L269-F273 VanDerWaalsContact O-CA 3.25Å; L269-F273 WeakPolarHBondContact O-CA 3.38Å; L269-F273 WeakPolarHBondContact O-CB 3.49Å; L269-F273 WeakPolarHBondContact O-CD2 3.18Å; L269-F273 PolarHBondContact O-N 2.98Å
270E45Very low47.3Very low154 Ų15487.9 Ų87.972%0.7246%0.462SS*.Hα-helixtrans-66.2-36.1178.2-77.2-174.9163.300113.1D266 F273 S274D266-E270 VanDerWaalsContact O-CB 3.31Å; D266-E270 WeakPolarHBondContact O-CB 3.43Å; D266-E270 WeakPolarHBondContact O-CG 3.17Å; D266-E270 PolarHBondContact O-N 2.8Å; E270-F273 CarbonylContact O-C 3.47Å; E270-S274 PolarHBondContact O-N 2.63Å
271S46.8Very low48.5Very low83 Ų8382.1 Ų82.158%0.5844%0.44SS*.Hα-helixtrans-79.2-36.4178.157.20000113.5K267 V268 L269K267-S271 VanDerWaalsContact O-CB 3.27Å; K267-S271 WeakPolarHBondContact O-CB 3.16Å; K267-S271 PolarHBondContact O-N 3.34Å; K267-S271 PolarHBondContact O-OG 3.12Å; V268-S271 WeakPolarHBondContact CA-OG 3.38Å; V268-S271 PolarHBondContact O-OG 3.48Å; L269-S271 PolarHBondContact O-N 3.35Å
272N42.3Very low50Low42 Ų4281.4 Ų81.423%0.22542%0.424CS..Hα-helixtrans-78.6-30.6174.1-70.2-21.6000112.1Y257 V268 S277Y257-N272 PolarHBondContact OH-ND2 3.05Å; V268-N272 WeakPolarHBondContact CG1-ND2 3.48Å; V268-N272 WeakPolarHBondContact O-CB 3.4Å; V268-N272 VanDerWaalsContact O-CG 3.22Å; V268-N272 PolarHBondContact O-N 2.63Å; V268-N272 PolarHBondContact O-ND2 3.03Å; N272-S277 WeakPolarHBondContact O-CB 3.1Å; N272-S277 PolarHBondContact O-OG 3.26Å
273F42.6Very low51.9Low68 Ų6875.4 Ų75.430%0.29840%0.398SS..THydrogen-bonded Turntrans-102.351.9175.5-56.3-82.9000112.4L269 E270 S277 M278L269-F273 HydrophobicContact CB-CD2 4.17Å; L269-F273 HydrophobicContact CD2-CD2 3.76Å; L269-F273 HydrophobicContact CD2-CE2 3.41Å; L269-F273 VanDerWaalsContact CD2-CE2 3.41Å; L269-F273 VanDerWaalsContact O-CA 3.25Å; L269-F273 WeakPolarHBondContact O-CA 3.38Å; L269-F273 WeakPolarHBondContact O-CB 3.49Å; L269-F273 WeakPolarHBondContact O-CD2 3.18Å; L269-F273 PolarHBondContact O-N 2.98Å; E270-F273 CarbonylContact O-C 3.47Å; F273-S277 VanDerWaalsContact CA-OG 3.26Å; F273-S277 WeakPolarHBondContact CA-OG 3.46Å; F273-S277 VanDerWaalsContact CD1-OG 3.23Å; F273-S277 WeakPolarHBondContact CD1-OG 3.46Å; F273-M278 HydrophobicContact CD1-CB 4.47Å
274S43.3Very low54Low65 Ų6568.9 Ų68.946%0.45537%0.366SS..SBendtrans-51.7143143.869.60000107.9E270 N276 S277E270-S274 PolarHBondContact O-N 2.63Å; S274-N276 PolarHBondContact O-N 3.14Å; S274-S277 PolarHBondContact O-N 3.27Å; S274-S277 PolarHBondContact O-OG 2.94Å
275S44.9Very low56Low100 Ų10065.3 Ų65.370%0.69935%0.347SS*.Hα-helixtrans-46.1-24.8-175.950.60000114.9
276N45Very low58.6Low109 Ų10963.2 Ų63.258%0.58334%0.337SS*.Hα-helixtrans-71.7-30.3178.4-69.6-3000114.6S274 E279 T280S274-N276 PolarHBondContact O-N 3.14Å; N276-E279 PolarHBondContact O-N 2.85Å; N276-T280 PolarHBondContact O-N 3.1Å
277S49.8Very low60.9Low17 Ų1758.6 Ų58.612%0.11931%0.312CS..Hα-helixtrans-77.9-31.8-17775.50000112.4N272 F273 S274 E279 T280 F281N272-S277 WeakPolarHBondContact O-CB 3.1Å; N272-S277 PolarHBondContact O-OG 3.26Å; F273-S277 VanDerWaalsContact CA-OG 3.26Å; F273-S277 WeakPolarHBondContact CA-OG 3.46Å; F273-S277 VanDerWaalsContact CD1-OG 3.23Å; F273-S277 WeakPolarHBondContact CD1-OG 3.46Å; S274-S277 PolarHBondContact O-N 3.27Å; S274-S277 PolarHBondContact O-OG 2.94Å; S277-E279 PolarHBondContact O-N 3.45Å; S277-T280 WeakPolarHBondContact CA-OG1 3.38Å; S277-T280 PolarHBondContact O-N 2.93Å; S277-T280 PolarHBondContact O-OG1 2.84Å; S277-F281 WeakPolarHBondContact O-CD2 3.48Å; S277-F281 PolarHBondContact O-N 2.84Å
278M53.5Low63.1Low118 Ų11852.4 Ų52.458%0.58129%0.285SS*.Hα-helixtrans-65.6-22.4173.8-155.2155.681.700111.8F273F273-M278 HydrophobicContact CD1-CB 4.47Å
279E60.1Low65.4Low77 Ų7750.5 Ų50.536%0.3627%0.274SS..Hα-helixtrans-77-30.4168.9-70-171.7174.300113.1N210 N276 S277 R390N210-E279 PolarHBondContact ND2-OE1 3.33Å; N210-E279 VanDerWaalsContact ND2-OE1 3.16Å; N276-E279 PolarHBondContact O-N 2.85Å; S277-E279 PolarHBondContact O-N 3.45Å; E279-R390 PolarHBondContact O-NE 3.13Å; E279-R390 PolarHBondContact O-NH2 2.82Å
280T62.4Low67.6Low28 Ų2847.9 Ų47.917%0.17226%0.26CS..Hα-helixtrans-70.8-38.2178.655.90000111.9N276 S277 R473N276-T280 PolarHBondContact O-N 3.1Å; S277-T280 WeakPolarHBondContact CA-OG1 3.38Å; S277-T280 PolarHBondContact O-N 2.93Å; S277-T280 PolarHBondContact O-OG1 2.84Å; T280-R473 PolarHBondContact O-NH1 3.03Å; T280-R473 PolarHBondContact O-NH2 3.38Å
281F67.8Low69.5Low18 Ų1843 Ų438%0.07924%0.236CC..SBendtrans-86.3-7-176.1-64.5-72.7000115.7W249 S277 D283 L596 G597W249-F281 AromaticContact CD2-CD1 3.6Å; W249-F281 HydrophobicContact CD2-CD1 3.6Å; W249-F281 AromaticContact CD2-CE1 3.58Å; W249-F281 HydrophobicContact CD2-CE1 3.58Å; W249-F281 HydrophobicContact CD2-CG 4.44Å; W249-F281 HydrophobicContact CD2-CZ 4.46Å; W249-F281 AromaticContact CE2-CD1 3.77Å; W249-F281 AromaticContact CE2-CE1 3.22Å; W249-F281 AromaticContact CE2-CZ 3.77Å; W249-F281 HydrophobicContact CE3-CB 4.13Å; W249-F281 AromaticContact CE3-CD1 3.25Å; W249-F281 HydrophobicContact CE3-CD1 3.25Å; W249-F281 HydrophobicContact CE3-CD2 4.44Å; W249-F281 AromaticContact CE3-CE1 3.67Å; W249-F281 HydrophobicContact CE3-CE1 3.67Å; W249-F281 AromaticContact CE3-CG 3.69Å; W249-F281 HydrophobicContact CE3-CG 3.69Å; W249-F281 HydrophobicContact CE3-CZ 4.47Å; W249-F281 HydrophobicContact CG-CE1 4.48Å; W249-F281 HydrophobicContact CH2-CB 4.35Å; W249-F281 AromaticContact CH2-CD1 3.25Å; W249-F281 HydrophobicContact CH2-CD1 3.25Å; W249-F281 AromaticContact CH2-CD2 3.23Å; W249-F281 HydrophobicContact CH2-CD2 3.23Å; W249-F281 AromaticContact CH2-CE1 3.06Å; W249-F281 HydrophobicContact CH2-CE1 3.06Å; W249-F281 AromaticContact CH2-CE2 3.11Å; W249-F281 HydrophobicContact CH2-CE2 3.11Å; W249-F281 AromaticContact CH2-CG 3.32Å; W249-F281 HydrophobicContact CH2-CG 3.32Å; W249-F281 AromaticContact CH2-CZ 3.02Å; W249-F281 HydrophobicContact CH2-CZ 3.02Å; W249-F281 AromaticContact CZ2-CD1 3.59Å; W249-F281 HydrophobicContact CZ2-CD1 3.59Å; W249-F281 HydrophobicContact CZ2-CD2 4.11Å; W249-F281 AromaticContact CZ2-CE1 2.92Å; W249-F281 HydrophobicContact CZ2-CE1 2.92Å; W249-F281 AromaticContact CZ2-CE2 3.6Å; W249-F281 HydrophobicContact CZ2-CE2 3.6Å; W249-F281 HydrophobicContact CZ2-CG 4.12Å; W249-F281 AromaticContact CZ2-CZ 2.96Å; W249-F281 HydrophobicContact CZ2-CZ 2.96Å; W249-F281 HydrophobicContact CZ3-CB 3.68Å; W249-F281 AromaticContact CZ3-CD1 3.1Å; W249-F281 HydrophobicContact CZ3-CD1 3.1Å; W249-F281 AromaticContact CZ3-CD2 3.46Å; W249-F281 HydrophobicContact CZ3-CD2 3.46Å; W249-F281 VanDerWaalsContact CZ3-CD2 3.46Å; W249-F281 AromaticContact CZ3-CE1 3.46Å; W249-F281 HydrophobicContact CZ3-CE1 3.46Å; W249-F281 VanDerWaalsContact CZ3-CE1 3.46Å; W249-F281 AromaticContact CZ3-CE2 3.86Å; W249-F281 HydrophobicContact CZ3-CE2 3.86Å; W249-F281 AromaticContact CZ3-CG 3.09Å; W249-F281 HydrophobicContact CZ3-CG 3.09Å; W249-F281 AromaticContact CZ3-CZ 3.85Å; W249-F281 HydrophobicContact CZ3-CZ 3.85Å; S277-F281 WeakPolarHBondContact O-CD2 3.48Å; S277-F281 PolarHBondContact O-N 2.84Å; F281-D283 PolarHBondContact O-N 2.73Å; F281-L596 HydrophobicContact CZ-CB 4.06Å; F281-L596 WeakPolarHBondContact CZ-O 3.44Å; F281-G597 VanDerWaalsContact CE1-N 3.29Å; F281-G597 VanDerWaalsContact CZ-CA 3.43Å
282R78.7Confident71.1Confident47 Ų4741.9 Ų41.918%0.17722%0.223CC..  trans-69.9124.6-177.8-169.5180-63.7-157.33.9111.5W284 R390R282-W284 PolarHBondContact O-N 3.11Å; R282-R390 PolarHBondContact O-NH1 3.4Å; R282-R390 PolarHBondContact O-NH2 3.17Å
283D86.4Confident72.7Confident40 Ų4042.7 Ų42.721%0.21423%0.226CC..  trans-72.9120.9169.9-168-11.7000109.9T242 H244 N245 F281 S285T242-D283 WeakPolarHBondContact O-CA 3.18Å; H244-D283 WeakPolarHBondContact CA-OD1 3.37Å; N245-D283 PolarHBondContact N-OD2 2.88Å; F281-D283 PolarHBondContact O-N 2.73Å; D283-S285 VanDerWaalsContact CG-OG 3.22Å; D283-S285 WeakPolarHBondContact OD1-CA 3.35Å; D283-S285 WeakPolarHBondContact OD1-CB 3.18Å; D283-S285 PolarHBondContact OD1-N 3.41Å; D283-S285 PolarHBondContact OD1-OG 3.15Å; D283-S285 PolarHBondContact OD2-OG 3.33Å; D283-S285 VanDerWaalsContact OD2-OG 3.1Å
284W91.4Very high74.4Confident20 Ų2040.4 Ų40.48%0.07622%0.215CC..  trans-94.9-3174.8-69.6-11.4000113.1W204 P207 T242 R282 L389 R390W204-W284 WeakPolarHBondContact CB-O 3.38Å; W204-W284 AromaticContact CE3-CE3 3.85Å; W204-W284 HydrophobicContact CE3-CE3 3.85Å; W204-W284 AromaticContact CZ3-CE3 3.73Å; W204-W284 HydrophobicContact CZ3-CE3 3.73Å; W204-W284 AromaticContact CZ3-CZ3 3.94Å; W204-W284 HydrophobicContact CZ3-CZ3 3.94Å; P207-W284 HydrophobicContact CB-CH2 3.89Å; P207-W284 HydrophobicContact CB-CZ2 3.75Å; T242-W284 HydrophobicContact CG2-CB 4.38Å; T242-W284 PolarHBondContact O-N 2.92Å; R282-W284 PolarHBondContact O-N 3.11Å; W284-L389 HydrophobicContact CH2-CB 4.21Å; W284-R390 VanDerWaalsContact CE2-NH2 3.29Å; W284-R390 HydrophobicContact CH2-CG 3.82Å; W284-R390 HydrophobicContact CZ2-CG 4.47Å; W284-R390 VanDerWaalsContact CZ2-CZ 3.49Å; W284-R390 HydrophobicContact CZ3-CG 4.24Å; W284-R390 VanDerWaalsContact NE1-NH2 3.19Å
285S92.9Very high76.1Confident7 Ų737.4 Ų37.45%0.04920%0.195CC..  trans-77138178.478.40000111.4I187 I203 H244 D283I187-S285 VanDerWaalsContact CD1-CB 3.43Å; I203-S285 CarbonylContact O-C 3.6Å; H244-S285 PolarHBondContact ND1-OG 3.22Å; D283-S285 VanDerWaalsContact CG-OG 3.22Å; D283-S285 WeakPolarHBondContact OD1-CA 3.35Å; D283-S285 WeakPolarHBondContact OD1-CB 3.18Å; D283-S285 PolarHBondContact OD1-N 3.41Å; D283-S285 PolarHBondContact OD1-OG 3.15Å; D283-S285 PolarHBondContact OD2-OG 3.33Å; D283-S285 VanDerWaalsContact OD2-OG 3.1Å
286V94.3Very high77.7Confident1 Ų137.4 Ų37.41%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-121.2117.3178.6179.20000109.6L171 Y202 I203 F217 L331L171-V286 HydrophobicContact CB-CG2 4.07Å; L171-V286 HydrophobicContact CD1-CB 4.09Å; L171-V286 HydrophobicContact CD1-CG2 3.76Å; L171-V286 HydrophobicContact CD2-CB 4.47Å; L171-V286 HydrophobicContact CD2-CG1 4.35Å; L171-V286 HydrophobicContact CD2-CG2 4.49Å; L171-V286 HydrophobicContact CG-CG2 4.32Å; Y202-V286 WeakPolarHBondContact CA-O 3.29Å; I203-V286 PolarHBondContact N-O 2.65Å; I203-V286 PolarHBondContact O-N 3.28Å; F217-V286 HydrophobicContact CB-CG1 4.33Å; F217-V286 HydrophobicContact CD1-CG1 3.7Å; F217-V286 HydrophobicContact CD1-CG2 4.43Å; F217-V286 HydrophobicContact CD2-CB 4.47Å; F217-V286 HydrophobicContact CD2-CG1 4.31Å; F217-V286 HydrophobicContact CD2-CG2 3.64Å; F217-V286 HydrophobicContact CE1-CG1 4.05Å; F217-V286 HydrophobicContact CE1-CG2 4.43Å; F217-V286 HydrophobicContact CE2-CG2 3.65Å; F217-V286 HydrophobicContact CG-CB 4.43Å; F217-V286 HydrophobicContact CG-CG1 3.85Å; F217-V286 HydrophobicContact CG-CG2 4.05Å; F217-V286 HydrophobicContact CZ-CG1 4.5Å; F217-V286 HydrophobicContact CZ-CG2 4.07Å; V286-L331 HydrophobicContact CG1-CD1 4.26Å; V286-L331 HydrophobicContact CG1-CD2 3.79Å
287P94.6Very high79.4Confident7 Ų734.4 Ų34.45%0.04517%0.173CC..EExtended strand (participates in β ladder)trans-74.7137.5176.527.5-32.6000112.1V200 L201 Y202 F217V200-P287 HydrophobicContact CG1-CB 4.43Å; L201-P287 CarbonylContact O-C 3.52Å; L201-P287 WeakPolarHBondContact O-CA 3.28Å; Y202-P287 HydrophobicContact CD1-CB 4.05Å; Y202-P287 HydrophobicContact CE1-CB 3.65Å; Y202-P287 HydrophobicContact CE1-CG 4.1Å; Y202-P287 HydrophobicContact CE2-CB 4.24Å; F217-P287 HydrophobicContact CB-CG 4.19Å
288I95Very high80.7Confident0 Ų040.8 Ų40.80%020%0.201CC..EExtended strand (participates in β ladder)trans-134.4118.6177.4-54.1175.2000108.7I182 V200 L201 I203 I290 I311 L331I182-I288 HydrophobicContact CD1-CD1 3.56Å; V200-I288 WeakPolarHBondContact CA-O 3.28Å; L201-I288 PolarHBondContact N-O 3.5Å; L201-I288 PolarHBondContact O-N 2.97Å; I203-I288 HydrophobicContact CD1-CD1 3.38Å; I203-I288 HydrophobicContact CG1-CD1 3.66Å; I288-I290 HydrophobicContact CG2-CG1 4.35Å; I288-I311 HydrophobicContact CD1-CD1 3.63Å; I288-I311 HydrophobicContact CG2-CD1 4.3Å; I288-L331 HydrophobicContact CB-CB 4.44Å; I288-L331 HydrophobicContact CD1-CD2 4.23Å; I288-L331 HydrophobicContact CG1-CB 4.02Å; I288-L331 HydrophobicContact CG1-CD2 3.91Å; I288-L331 HydrophobicContact CG2-CB 4.35Å
289S92.4Very high82.1Confident4 Ų436.6 Ų36.63%0.02818%0.183CC..EExtended strand (participates in β ladder)trans-87120.4174.2-59.70000110.8Y291 L331 R332 L333S289-Y291 VanDerWaalsContact CB-CE2 3.46Å; S289-L331 PolarHBondContact N-O 2.74Å; S289-R332 CarbonylContact O-C 3.55Å; S289-R332 WeakPolarHBondContact O-CA 3.12Å; S289-L333 PolarHBondContact O-N 3.21Å
290I91.1Very high83.4Confident0 Ų033.3 Ų33.30%017%0.167CC..EExtended strand (participates in β ladder)trans-107.8125.9179.4-59.8172.8000108.9R198 I199 L201 I288 Y294 A295 I300 L333 I344R198-I290 CarbonylContact C-O 3.6Å; R198-I290 WeakPolarHBondContact CA-O 3.28Å; R198-I290 VanDerWaalsContact CB-O 3.26Å; R198-I290 WeakPolarHBondContact CB-O 3.37Å; I199-I290 PolarHBondContact N-O 3.34Å; I199-I290 PolarHBondContact O-N 3.25Å; L201-I290 HydrophobicContact CD1-CD1 3.38Å; L201-I290 HydrophobicContact CG-CD1 3.59Å; I288-I290 HydrophobicContact CG2-CG1 4.35Å; I290-Y294 VanDerWaalsContact CG2-CB 3.45Å; I290-A295 HydrophobicContact CG2-CB 4.44Å; I290-I300 HydrophobicContact CD1-CD1 3.86Å; I290-I300 HydrophobicContact CD1-CG1 4.37Å; I290-L333 HydrophobicContact CG1-CB 4.39Å; I290-L333 HydrophobicContact CG2-CD2 4.35Å; I290-I344 HydrophobicContact CD1-CD1 3.62Å; I290-I344 HydrophobicContact CG1-CD1 4.31Å; I290-I344 HydrophobicContact CG2-CD1 4.13Å
291Y84.2Confident84.4Confident51 Ų5135.9 Ų35.920%0.218%0.183CC..EExtended strand (participates in β ladder)trans-114.7161.6-174.2-65.4-90.6000112.9R198 S289 Y294 R332 L333R198-Y291 HydrophobicContact CB-CD1 3.81Å; R198-Y291 HydrophobicContact CB-CE1 3.94Å; R198-Y291 HydrophobicContact CB-CG 4.4Å; R198-Y291 HydrophobicContact CG-CE1 4.47Å; S289-Y291 VanDerWaalsContact CB-CE2 3.46Å; Y291-Y294 PolarHBondContact O-N 3.46Å; Y291-R332 HydrophobicContact CE2-CB 4.23Å; Y291-R332 HydrophobicContact CE2-CG 4.13Å; Y291-L333 PolarHBondContact N-O 3.33Å
292D80.1Confident85.4Confident61 Ų6140.1 Ų40.133%0.32621%0.206SC..G310 helixtrans56.3-131.1164.1-52-47.8000113.4Y294 A295 G335D292-Y294 PolarHBondContact O-N 2.97Å; D292-Y294 VanDerWaalsContact O-N 3.07Å; D292-A295 WeakPolarHBondContact O-CB 3.4Å; D292-A295 PolarHBondContact O-N 3.48Å; D292-G335 WeakPolarHBondContact OD2-CA 3.25Å; D292-G335 PolarHBondContact OD2-N 3.41Å
293E76.5Confident86.1Confident59 Ų5938.3 Ų38.328%0.27620%0.2SC..G310 helixtrans-59.4-26.3-174.168.6-97.2-141.800113.3S297 G335 N336 G337E293-S297 WeakPolarHBondContact O-CB 3.46Å; E293-S297 PolarHBondContact O-N 3.42Å; E293-S297 PolarHBondContact O-OG 2.79Å; E293-G335 WeakPolarHBondContact OE2-CA 3.16Å; E293-N336 VanDerWaalsContact OE1-C 3.22Å; E293-N336 WeakPolarHBondContact OE1-CA 3.29Å; E293-N336 PolarHBondContact OE1-N 3.24Å; E293-N336 PolarHBondContact OE2-N 3.02Å; E293-G337 PolarHBondContact OE1-N 3.16Å
294Y78.8Confident86.5Confident20 Ų2042.9 Ų42.98%0.07822%0.218CC..G310 helixtrans-77.6-23.6179.6-63.2-65.6000113I290 Y291 D292 I296 I300 L333 G337 R342I290-Y294 VanDerWaalsContact CG2-CB 3.45Å; Y291-Y294 PolarHBondContact O-N 3.46Å; D292-Y294 PolarHBondContact O-N 2.97Å; D292-Y294 VanDerWaalsContact O-N 3.07Å; Y294-I296 VanDerWaalsContact C-N 3.27Å; Y294-I300 VanDerWaalsContact O-CB 3.27Å; Y294-I300 WeakPolarHBondContact O-CB 3.29Å; Y294-I300 VanDerWaalsContact O-CG1 3.31Å; Y294-I300 WeakPolarHBondContact O-CG1 3.48Å; Y294-I300 WeakPolarHBondContact O-CG2 3.37Å; Y294-L333 HydrophobicContact CD1-CD2 4.2Å; Y294-L333 HydrophobicContact CD2-CD2 3.9Å; Y294-L333 HydrophobicContact CD2-CG 4.06Å; Y294-L333 HydrophobicContact CE2-CD2 4.45Å; Y294-L333 HydrophobicContact CE2-CG 4.44Å; Y294-L333 HydrophobicContact CG-CD2 3.75Å; Y294-L333 HydrophobicContact CG-CG 4.41Å; Y294-G337 WeakPolarHBondContact OH-CA 3.34Å; Y294-G337 PolarHBondContact OH-O 2.9Å; Y294-R342 HydrophobicContact CE2-CB 4.32Å; Y294-R342 WeakPolarHBondContact OH-CB 3.5Å; Y294-R342 PolarHBondContact OH-O 2.71Å
295A78.5Confident86.7Confident2 Ų243.1 Ų43.12%0.01722%0.222CC..THydrogen-bonded Turntrans-76.6-16.7176.500000112.4V193 I199 I290 D292V193-A295 HydrophobicContact CG2-CB 4.28Å; I199-A295 HydrophobicContact CD1-CB 4.32Å; I199-A295 WeakPolarHBondContact CD1-O 3.2Å; I199-A295 HydrophobicContact CG1-CB 4.18Å; I290-A295 HydrophobicContact CG2-CB 4.44Å; D292-A295 WeakPolarHBondContact O-CB 3.4Å; D292-A295 PolarHBondContact O-N 3.48Å
296I79Confident86.9Confident99 Ų9942.8 Ų42.851%0.50822%0.22SC..SBendtrans-1276.3-172.463.2171000114.1V193 Y294V193-I296 HydrophobicContact CG1-CG2 3.81Å; V193-I296 HydrophobicContact CG2-CG2 4.44Å; Y294-I296 VanDerWaalsContact C-N 3.27Å
297S79.7Confident87Confident47 Ų4743.3 Ų43.333%0.32922%0.223SC..SBendtrans-117161.8-179.961.70000112.6E293 I300 V301E293-S297 WeakPolarHBondContact O-CB 3.46Å; E293-S297 PolarHBondContact O-N 3.42Å; E293-S297 PolarHBondContact O-OG 2.79Å; S297-I300 WeakPolarHBondContact O-CB 3.42Å; S297-I300 PolarHBondContact O-N 2.76Å; S297-V301 PolarHBondContact O-N 3.19Å
298E78.2Confident87.1Confident151 Ų15143 Ų4371%0.70622%0.221SC*.THydrogen-bonded Turntrans-60.3142.3169.9-73.2-176.117300111.1V301E298-V301 HydrophobicContact CG-CG2 4Å
299P83Confident87.1Confident29 Ų2943 Ų4319%0.18822%0.221CC..THydrogen-bonded Turncis-83.6-9.5533-35.4000114.9V301 N302 I303 I344P299-V301 VanDerWaalsContact C-N 3.34Å; P299-V301 PolarHBondContact O-N 3.27Å; P299-N302 PolarHBondContact O-N 3.14Å; P299-I303 HydrophobicContact CB-CG2 4.36Å; P299-I303 WeakPolarHBondContact O-CG2 3.09Å; P299-I303 PolarHBondContact O-N 3.47Å; P299-I344 VanDerWaalsContact CD-O 3.25Å; P299-I344 WeakPolarHBondContact CD-O 3.25Å; P299-I344 HydrophobicContact CG-CB 4.25Å; P299-I344 HydrophobicContact CG-CG2 3.87Å
300I85.9Confident87.2Confident8 Ų843.1 Ų43.14%0.04122%0.221CC..G310 helixtrans-60.6-33.9-166.2-74.9-60000115.2I199 L201 I290 Y294 S297 N302 I303 I344I199-I300 HydrophobicContact CD1-CG2 3.42Å; I199-I300 VanDerWaalsContact CD1-CG2 3.42Å; L201-I300 HydrophobicContact CD1-CD1 3.97Å; I290-I300 HydrophobicContact CD1-CD1 3.86Å; I290-I300 HydrophobicContact CD1-CG1 4.37Å; Y294-I300 VanDerWaalsContact O-CB 3.27Å; Y294-I300 WeakPolarHBondContact O-CB 3.29Å; Y294-I300 VanDerWaalsContact O-CG1 3.31Å; Y294-I300 WeakPolarHBondContact O-CG1 3.48Å; Y294-I300 WeakPolarHBondContact O-CG2 3.37Å; S297-I300 WeakPolarHBondContact O-CB 3.42Å; S297-I300 PolarHBondContact O-N 2.76Å; I300-N302 PolarHBondContact O-N 3.07Å; I300-I303 HydrophobicContact CD1-CD1 3.42Å; I300-I303 VanDerWaalsContact CD1-CD1 3.42Å; I300-I303 HydrophobicContact CD1-CG1 4.08Å; I300-I303 HydrophobicContact CD1-CG2 4.49Å; I300-I303 WeakPolarHBondContact O-CG1 3.19Å; I300-I344 HydrophobicContact CD1-CD1 3.63Å; I300-I344 HydrophobicContact CD1-CG2 4.16Å; I300-I344 HydrophobicContact CG1-CD1 3.42Å; I300-I344 VanDerWaalsContact CG1-CD1 3.42Å; I300-I344 HydrophobicContact CG1-CG2 4.43Å
301V84.5Confident87.4Confident82 Ų8243.2 Ų43.250%0.49722%0.221SC..G310 helixtrans-64.5-19.9177.3-75.40000114S297 E298 P299S297-V301 PolarHBondContact O-N 3.19Å; E298-V301 HydrophobicContact CG-CG2 4Å; P299-V301 VanDerWaalsContact C-N 3.34Å; P299-V301 PolarHBondContact O-N 3.27Å
302N88.6Confident87.5Confident107 Ų10741.8 Ų41.857%0.57222%0.216SC*.G310 helixtrans-117-1.5-175.7-65.6-36.7000113.7P299 I300P299-N302 PolarHBondContact O-N 3.14Å; I300-N302 PolarHBondContact O-N 3.07Å
303I94Very high87.7Confident10 Ų1039.6 Ų39.65%0.05121%0.205CC..  trans-67.8150.1177.757159.2000110.8I186 I189 L201 P299 I300 D307 I309 Y346I186-I303 HydrophobicContact CD1-CB 3.92Å; I186-I303 HydrophobicContact CD1-CD1 3.57Å; I186-I303 HydrophobicContact CD1-CG1 4.28Å; I186-I303 HydrophobicContact CD1-CG2 4.28Å; I189-I303 HydrophobicContact CD1-CD1 3.8Å; I189-I303 HydrophobicContact CD1-CG1 3.88Å; I189-I303 HydrophobicContact CG1-CD1 4.43Å; L201-I303 HydrophobicContact CD1-CD1 3.91Å; L201-I303 HydrophobicContact CD2-CD1 3.62Å; L201-I303 HydrophobicContact CG-CD1 4.45Å; P299-I303 HydrophobicContact CB-CG2 4.36Å; P299-I303 WeakPolarHBondContact O-CG2 3.09Å; P299-I303 PolarHBondContact O-N 3.47Å; I300-I303 HydrophobicContact CD1-CD1 3.42Å; I300-I303 VanDerWaalsContact CD1-CD1 3.42Å; I300-I303 HydrophobicContact CD1-CG1 4.08Å; I300-I303 HydrophobicContact CD1-CG2 4.49Å; I300-I303 WeakPolarHBondContact O-CG1 3.19Å; I303-D307 WeakPolarHBondContact CA-OD2 3.49Å; I303-I309 HydrophobicContact CG2-CG2 4.37Å; I303-Y346 HydrophobicContact CG2-CD2 4.49Å
304K94Very high88.5Confident135 Ų13536.8 Ų36.859%0.58719%0.191SC*.  trans-127.7157.5175.6-62.5-176.9-178.9-175.40110.5G306 D307K304-G306 PolarHBondContact O-N 3.29Å; K304-D307 PolarHBondContact N-OD2 3.38Å; K304-D307 VanDerWaalsContact O-CB 3.27Å; K304-D307 WeakPolarHBondContact O-CB 3.33Å; K304-D307 PolarHBondContact O-N 3.09Å; K304-D307 VanDerWaalsContact O-N 3.13Å
305P95.7Very high89Confident25 Ų2537.2 Ų37.216%0.16219%0.194CC..THydrogen-bonded Turntrans-50.1137164-25.936.1000111.5I189 Q233 D235I189-P305 HydrophobicContact CD1-CG 4.44Å; I189-P305 HydrophobicContact CG1-CG 4.4Å; Q233-P305 HydrophobicContact CB-CG 3.75Å; D235-P305 HydrophobicContact CB-CB 3.66Å
306G96Very high89.6Confident0 Ų037.1 Ų37.10%019%0.193CC..THydrogen-bonded Turntrans92.3-15.9-174.500000115.5Q185 I186 K304 K350Q185-G306 WeakPolarHBondContact CG-O 3.46Å; Q185-G306 PolarHBondContact NE2-O 2.96Å; I186-G306 PolarHBondContact O-N 2.95Å; K304-G306 PolarHBondContact O-N 3.29Å; G306-K350 WeakPolarHBondContact O-CA 3.45Å; G306-K350 PolarHBondContact O-N 3.1Å
307D96.5Very high90Very high13 Ų1333.1 Ų33.17%0.0717%0.174CC..  trans-69151.3175.8-73.6-20.1000112.4Q185 I186 I303 K304 Y346 N349Q185-D307 CarbonylContact C-O 3.58Å; Q185-D307 WeakPolarHBondContact CA-O 3.34Å; I186-D307 HydrophobicContact CD1-CB 4.07Å; I186-D307 PolarHBondContact N-O 3.42Å; I303-D307 WeakPolarHBondContact CA-OD2 3.49Å; K304-D307 PolarHBondContact N-OD2 3.38Å; K304-D307 VanDerWaalsContact O-CB 3.27Å; K304-D307 WeakPolarHBondContact O-CB 3.33Å; K304-D307 PolarHBondContact O-N 3.09Å; K304-D307 VanDerWaalsContact O-N 3.13Å; D307-Y346 HydrophobicContact CB-CE2 3.86Å; D307-Y346 PolarHBondContact OD1-OH 3.34Å; D307-N349 VanDerWaalsContact OD1-CA 3.29Å; D307-N349 WeakPolarHBondContact OD1-CA 3.27Å
308L97Very high90.3Very high0 Ų032.7 Ų32.70%017%0.17CC..EExtended strand (participates in β ladder)trans-100.3130.8178.4-57.5173.7000110Q185 L347 G348 L352 L379 L380 L383Q185-L308 HydrophobicContact CB-CD2 3.67Å; Q185-L308 HydrophobicContact CG-CD2 3.91Å; L308-L347 HydrophobicContact CB-CB 3.86Å; L308-L347 WeakPolarHBondContact O-CB 3.3Å; L308-L347 PolarHBondContact O-N 3.01Å; L308-G348 PolarHBondContact N-O 2.9Å; L308-L352 HydrophobicContact CD1-CB 4.48Å; L308-L352 HydrophobicContact CD1-CD2 3.92Å; L308-L379 HydrophobicContact CB-CD2 4.49Å; L308-L379 HydrophobicContact CD2-CD2 4.21Å; L308-L380 HydrophobicContact CD1-CD2 3.57Å; L308-L383 HydrophobicContact CD2-CD1 3.66Å
309I96.2Very high90.2Very high0 Ų027.8 Ų27.80%015%0.153CC..EExtended strand (participates in β ladder)trans-135.1152.9-178.661.5169.3000112.3E183 G184 I186 L201 I203 I303 I311 I344 K345E183-I309 WeakPolarHBondContact CA-O 3.38Å; G184-I309 PolarHBondContact N-O 2.93Å; G184-I309 PolarHBondContact O-N 3.31Å; I186-I309 HydrophobicContact CD1-CD1 4.05Å; I186-I309 HydrophobicContact CD1-CG1 4.32Å; I186-I309 HydrophobicContact CD1-CG2 3.79Å; I186-I309 HydrophobicContact CG1-CD1 3.93Å; I186-I309 HydrophobicContact CG1-CG1 4.15Å; I186-I309 HydrophobicContact CG1-CG2 4.49Å; L201-I309 HydrophobicContact CD1-CD1 3.69Å; I203-I309 HydrophobicContact CG2-CD1 4.21Å; I303-I309 HydrophobicContact CG2-CG2 4.37Å; I309-I311 HydrophobicContact CD1-CD1 3.78Å; I309-I311 HydrophobicContact CD1-CG1 3.89Å; I309-I311 HydrophobicContact CG1-CG1 4.42Å; I309-I344 HydrophobicContact CB-CG2 4.42Å; I309-K345 CarbonylContact C-O 3.6Å; I309-K345 WeakPolarHBondContact CA-O 3.48Å
310R94.4Very high89.5Confident7 Ų736 Ų363%0.02618%0.18CC..EExtended strand (participates in β ladder)trans-116.1126.5166-177.6-177.8-62.6144.210.6108.8I168 T181 I182 E183 H312 I344 K345 L347 E373I168-R310 HydrophobicContact CD1-CG 3.99Å; T181-R310 HydrophobicContact CG2-CG 3.71Å; I182-R310 CarbonylContact O-C 3.5Å; I182-R310 WeakPolarHBondContact O-CA 3.41Å; E183-R310 HydrophobicContact CG-CB 3.87Å; E183-R310 HydrophobicContact CG-CG 3.8Å; E183-R310 IonicContact OE1-CZ 2.7Å; E183-R310 IonicContact OE1-NE 3.41Å; E183-R310 PolarHBondContact OE1-NE 2.93Å; E183-R310 IonicContact OE1-NH2 3.49Å; E183-R310 PolarHBondContact OE1-NH2 2.8Å; R310-H312 WeakPolarHBondContact CD-CE1 3.48Å; R310-H312 WeakPolarHBondContact CD-NE2 3.14Å; R310-I344 CarbonylContact O-C 3.57Å; R310-I344 WeakPolarHBondContact O-CA 3.2Å; R310-K345 HydrophobicContact CB-CB 4.26Å; R310-K345 PolarHBondContact N-O 3.09Å; R310-K345 PolarHBondContact O-N 3.13Å; R310-L347 HydrophobicContact CB-CD1 4.09Å; R310-L347 HydrophobicContact CB-CD2 4.19Å; R310-L347 HydrophobicContact CB-CG 4.22Å; R310-E373 IonicContact CZ-OE1 3.67Å; R310-E373 IonicContact NH1-OE1 2.9Å; R310-E373 PolarHBondContact NH1-OE1 3.18Å; R310-E373 PolarHBondContact NH2-O 2.9Å; R310-E373 IonicContact NH2-OE1 3.79Å; R310-E373 PolarHBondContact NH2-OE1 3.02Å
311I93.8Very high88.1Confident1 Ų142.3 Ų42.31%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-112118.4178.3-49.7173.3000108.6T181 I182 I288 I309 V314 L333 I344T181-I311 CarbonylContact C-O 3.5Å; T181-I311 VanDerWaalsContact CA-O 3.27Å; T181-I311 WeakPolarHBondContact CA-O 3.13Å; T181-I311 VanDerWaalsContact CG2-O 3.32Å; T181-I311 WeakPolarHBondContact CG2-O 3.38Å; I182-I311 HydrophobicContact CG1-CB 4.09Å; I182-I311 PolarHBondContact N-O 2.97Å; I182-I311 PolarHBondContact O-N 3.26Å; I288-I311 HydrophobicContact CD1-CD1 3.63Å; I288-I311 HydrophobicContact CG2-CD1 4.3Å; I309-I311 HydrophobicContact CD1-CD1 3.78Å; I309-I311 HydrophobicContact CD1-CG1 3.89Å; I309-I311 HydrophobicContact CG1-CG1 4.42Å; I311-V314 HydrophobicContact CB-CG2 3.7Å; I311-V314 HydrophobicContact CG2-CG2 3.24Å; I311-L333 HydrophobicContact CG2-CD1 4.03Å; I311-L333 HydrophobicContact CG2-CD2 3.99Å; I311-L333 HydrophobicContact CG2-CG 4.46Å; I311-I344 HydrophobicContact CG1-CG1 4.37Å; I311-I344 HydrophobicContact CG1-CG2 4.47Å; I311-I344 HydrophobicContact CG2-CG1 4.12Å
312H87.9Confident86.6Confident21 Ų2148.5 Ų48.510%0.09723%0.23CC..EExtended strand (participates in β ladder)trans-90.4133.2-177.4-62.5-87000111.6E147 T181 R310 V314 G341 R342 G343E147-H312 IonicContact OE1-CE1 2.74Å; E147-H312 IonicContact OE1-ND1 3.31Å; T181-H312 HydrophobicContact CG2-CB 4.44Å; T181-H312 WeakPolarHBondContact CG2-ND1 3.31Å; R310-H312 WeakPolarHBondContact CD-CE1 3.48Å; R310-H312 WeakPolarHBondContact CD-NE2 3.14Å; H312-V314 PolarHBondContact O-N 3.38Å; H312-G341 VanDerWaalsContact CB-O 3.3Å; H312-G341 WeakPolarHBondContact CB-O 3.43Å; H312-R342 WeakPolarHBondContact O-CA 3.43Å; H312-G343 PolarHBondContact N-O 2.88Å; H312-G343 PolarHBondContact O-N 2.94Å
313N84.5Confident84.7Confident16 Ų1651.4 Ų51.49%0.08625%0.246CC..EExtended strand (participates in β ladder)trans56.648.7171.8-170.115.3000113E145 Y179 C180 F340 R342E145-N313 PolarHBondContact OE2-ND2 3.36Å; E145-N313 VanDerWaalsContact OE2-ND2 3.16Å; Y179-N313 WeakPolarHBondContact CB-OD1 3.42Å; Y179-N313 WeakPolarHBondContact CD1-OD1 3.1Å; C180-N313 CarbonylContact O-C 3.21Å; C180-N313 VanDerWaalsContact O-CA 3.23Å; C180-N313 WeakPolarHBondContact O-CA 3.48Å; C180-N313 PolarHBondContact O-N 2.87Å; C180-N313 VanDerWaalsContact O-N 3.08Å; N313-F340 WeakPolarHBondContact ND2-CB 3.29Å; N313-F340 PolarHBondContact ND2-O 2.66Å; N313-R342 HydrophobicContact CB-CG 3.62Å
314V91.3Very high82.7Confident0 Ų055 Ų550%026%0.264CS..EExtended strand (participates in β ladder)trans-67.3131.4170-179.30000109.5Y179 C180 I182 I311 H312 L331Y179-V314 VanDerWaalsContact CA-O 3.3Å; Y179-V314 WeakPolarHBondContact CA-O 3.48Å; C180-V314 PolarHBondContact N-O 2.68Å; C180-V314 PolarHBondContact O-N 3.05Å; I182-V314 HydrophobicContact CD1-CB 4.43Å; I182-V314 HydrophobicContact CD1-CG1 4.42Å; I182-V314 HydrophobicContact CD1-CG2 3.88Å; I182-V314 HydrophobicContact CG1-CG2 3.93Å; I311-V314 HydrophobicContact CB-CG2 3.7Å; I311-V314 HydrophobicContact CG2-CG2 3.24Å; H312-V314 PolarHBondContact O-N 3.38Å; V314-L331 HydrophobicContact CG1-CB 3.92Å; V314-L331 HydrophobicContact CG1-CD2 4.22Å; V314-L331 HydrophobicContact CG1-CG 4.06Å
315H89.4Confident80.7Confident28 Ų2858.3 Ų58.313%0.1328%0.282CS..EExtended strand (participates in β ladder)trans-82.9121.9172.2-177.4-134.7000110.1Y179 L331 R332 H334Y179-H315 HydrophobicContact CD1-CB 4Å; Y179-H315 HydrophobicContact CE1-CB 3.53Å; Y179-H315 AromaticContact CE1-CD2 3.72Å; Y179-H315 AromaticContact CE1-CG 3.83Å; Y179-H315 AromaticContact CE2-CD2 3.66Å; Y179-H315 AromaticContact CZ-CD2 3.37Å; Y179-H315 AromaticContact CZ-CG 3.84Å; H315-L331 WeakPolarHBondContact O-CA 3.21Å; H315-R332 WeakPolarHBondContact CB-O 3.09Å; H315-R332 PolarHBondContact N-O 2.67Å; H315-R332 PolarHBondContact O-N 3Å; H315-H334 AromaticContact CG-NE2 3.89Å; H315-H334 AromaticContact ND1-NE2 3.31Å; H315-H334 PolarHBondContact ND1-NE2 2.78Å
316V91.6Very high79.2Confident0 Ų059.5 Ų59.50%029%0.291CS..EExtended strand (participates in β ladder)trans-107110.8174.2-1690000107.8L174 N175 E177 E178 L329 L331L174-V316 HydrophobicContact CD1-CG2 4.39Å; L174-V316 HydrophobicContact CD2-CG2 4.31Å; N175-V316 WeakPolarHBondContact O-CB 3.26Å; N175-V316 VanDerWaalsContact O-CG1 3.23Å; N175-V316 WeakPolarHBondContact O-CG1 3.07Å; E177-V316 VanDerWaalsContact CA-O 3.27Å; E177-V316 WeakPolarHBondContact CA-O 3.23Å; E177-V316 PolarHBondContact N-O 3.31Å; E178-V316 HydrophobicContact CG-CB 4.16Å; E178-V316 HydrophobicContact CG-CG2 4.19Å; E178-V316 PolarHBondContact N-O 2.96Å; E178-V316 VanDerWaalsContact N-O 3.07Å; E178-V316 PolarHBondContact O-N 2.85Å; V316-L329 HydrophobicContact CG1-CB 4.07Å; V316-L329 HydrophobicContact CG1-CD1 4.03Å; V316-L329 HydrophobicContact CG1-CD2 4.25Å; V316-L329 HydrophobicContact CG1-CG 4.36Å; V316-L331 HydrophobicContact CG1-CD1 4.21Å; V316-L331 HydrophobicContact CG2-CG 4.31Å
317S87.3Confident78.1Confident15 Ų1561.6 Ų61.611%0.10531%0.305CS..EExtended strand (participates in β ladder)trans-104.8144.8176.560.10000111.2Q330 R332S317-Q330 PolarHBondContact N-O 3.5Å; S317-Q330 PolarHBondContact O-N 3.47Å; S317-Q330 PolarHBondContact OG-O 3.43Å; S317-R332 PolarHBondContact OG-NH1 3.41Å
318C85.6Confident77.5Confident38 Ų3861.2 Ų61.226%0.25730%0.304SS..EExtended strand (participates in β ladder)trans-90.6121.5172.4175.20000110.4E177 C327E177-C318 PolarHBondContact OE1-N 3.21Å; C318-C327 VanDerWaalsContact CA-SG 3.5Å; C318-C327 WeakPolarHBondContact CB-SG 3.12Å; C318-C327 WeakPolarHBondContact SG-CB 3.19Å; C318-C327 CovalentContact SG-SG 2.01Å; C318-C327 PolarHBondContact SG-SG 2.8Å
319S77.1Confident77.2Confident49 Ų4961.7 Ų61.734%0.34331%0.306SS..EExtended strand (participates in β ladder)trans-102.5121.1167.1-175.40000109.3G328S319-G328 PolarHBondContact N-O 3.34Å; S319-G328 PolarHBondContact O-N 3.49Å
320R69.2Low77Confident201 Ų20163.2 Ų63.276%0.75831%0.314SS*.EExtended strand (participates in β ladder)trans-96.7117.3168-69.2-177178.9-178.9-2108.3C327R320-C327 HydrophobicContact CG-CB 4.49Å
321Q56.4Low77Confident141 Ų14163 Ų6366%0.65931%0.313SS*.PPolyproline II helixtrans-69149.5165.8-75.1-167.7-8.600109.5N323 D324Q321-N323 PolarHBondContact O-N 2.7Å; Q321-D324 PolarHBondContact O-N 3.27Å
322K51.5Low76.8Confident212 Ų21265.5 Ų65.592%0.92232%0.322SS*.THydrogen-bonded Turntrans-60.4-15.3-169-73.9-178177.21770115.1
323N49.2Very low77Confident168 Ų16864.5 Ų64.590%0.89832%0.318SS*.THydrogen-bonded Turntrans-1317.7-174.9-75-10.7000114.8Q321Q321-N323 PolarHBondContact O-N 2.7Å
324D52Low76.8Confident84 Ų8466.9 Ų66.945%0.44933%0.328SS..  trans-114.5136.5-178.9-165.9-1.7000111.2Q321 S326Q321-D324 PolarHBondContact O-N 3.27Å; D324-S326 VanDerWaalsContact CG-OG 3.28Å; D324-S326 PolarHBondContact O-N 3.03Å; D324-S326 PolarHBondContact OD1-N 3.31Å; D324-S326 PolarHBondContact OD2-OG 3.22Å
325H52.5Low75.7Confident205 Ų20567.1 Ų67.195%0.94933%0.331SS*.SBendtrans-73.7-13.8172.3-69.8-55000112.1
326S63.7Low74.5Confident50 Ų5071.2 Ų71.235%0.3535%0.353SS..PPolyproline II helixtrans-80.9133.2174.889.80000111.8D324D324-S326 VanDerWaalsContact CG-OG 3.28Å; D324-S326 PolarHBondContact O-N 3.03Å; D324-S326 PolarHBondContact OD1-N 3.31Å; D324-S326 PolarHBondContact OD2-OG 3.22Å
327C72.3Confident72.7Confident45 Ų4571.2 Ų71.230%0.30435%0.354SS..EExtended strand (participates in β ladder)trans-93.5119.1168.8161.90000108.2C318 R320C318-C327 VanDerWaalsContact CA-SG 3.5Å; C318-C327 WeakPolarHBondContact CB-SG 3.12Å; C318-C327 WeakPolarHBondContact SG-CB 3.19Å; C318-C327 CovalentContact SG-SG 2.01Å; C318-C327 PolarHBondContact SG-SG 2.8Å; R320-C327 HydrophobicContact CG-CB 4.49Å
328G84.7Confident71.1Confident5 Ų574.5 Ų74.55%0.05237%0.367CS..EExtended strand (participates in β ladder)trans-85.3138.5170.900000111.2V216 S319V216-G328 CarbonylContact O-C 3.6Å; V216-G328 VanDerWaalsContact O-CA 3.32Å; V216-G328 WeakPolarHBondContact O-CA 3.26Å; S319-G328 PolarHBondContact N-O 3.34Å; S319-G328 PolarHBondContact O-N 3.49Å
329L90.9Very high69.5Low9 Ų976.9 Ų76.95%0.04737%0.373CS..EExtended strand (participates in β ladder)trans-93.9136.9179.8-59.3-171.2000110.8L174 T215 V216 F217 I218 V316 L331L174-L329 HydrophobicContact CB-CD1 3.99Å; T215-L329 HydrophobicContact CG2-CB 4.49Å; T215-L329 HydrophobicContact CG2-CD1 3.43Å; T215-L329 VanDerWaalsContact CG2-CD1 3.43Å; T215-L329 HydrophobicContact CG2-CG 3.83Å; V216-L329 PolarHBondContact O-N 2.95Å; F217-L329 CarbonylContact C-O 3.43Å; F217-L329 WeakPolarHBondContact CA-O 3.32Å; F217-L329 HydrophobicContact CD1-CB 4.02Å; F217-L329 HydrophobicContact CE1-CB 4.23Å; F217-L329 HydrophobicContact CE1-CD1 4.18Å; I218-L329 PolarHBondContact N-O 3.39Å; V316-L329 HydrophobicContact CG1-CB 4.07Å; V316-L329 HydrophobicContact CG1-CD1 4.03Å; V316-L329 HydrophobicContact CG1-CD2 4.25Å; V316-L329 HydrophobicContact CG1-CG 4.36Å; L329-L331 HydrophobicContact CB-CD1 4.47Å
330Q91.4Very high68.8Low33 Ų3377.5 Ų77.515%0.15437%0.37CS..EExtended strand (participates in β ladder)trans-123.7123.3175-172.1170.419.500110.5S317 R332S317-Q330 PolarHBondContact N-O 3.5Å; S317-Q330 PolarHBondContact O-N 3.47Å; S317-Q330 PolarHBondContact OG-O 3.43Å; Q330-R332 HydrophobicContact CG-CG 4.48Å
331L94.9Very high68.7Low1 Ų168.7 Ų68.71%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-97.7127.6-177.5-77.668.7000110.4L174 I182 F217 V286 I288 S289 V314 H315 V316 L329L174-L331 HydrophobicContact CD1-CD1 4.21Å; L174-L331 HydrophobicContact CD1-CD2 3.82Å; L174-L331 HydrophobicContact CD1-CG 4.34Å; I182-L331 HydrophobicContact CD1-CD2 3.78Å; F217-L331 HydrophobicContact CD1-CD1 3.71Å; F217-L331 HydrophobicContact CE1-CD1 4Å; V286-L331 HydrophobicContact CG1-CD1 4.26Å; V286-L331 HydrophobicContact CG1-CD2 3.79Å; I288-L331 HydrophobicContact CB-CB 4.44Å; I288-L331 HydrophobicContact CD1-CD2 4.23Å; I288-L331 HydrophobicContact CG1-CB 4.02Å; I288-L331 HydrophobicContact CG1-CD2 3.91Å; I288-L331 HydrophobicContact CG2-CB 4.35Å; S289-L331 PolarHBondContact N-O 2.74Å; V314-L331 HydrophobicContact CG1-CB 3.92Å; V314-L331 HydrophobicContact CG1-CD2 4.22Å; V314-L331 HydrophobicContact CG1-CG 4.06Å; H315-L331 WeakPolarHBondContact O-CA 3.21Å; V316-L331 HydrophobicContact CG1-CD1 4.21Å; V316-L331 HydrophobicContact CG2-CG 4.31Å; L329-L331 HydrophobicContact CB-CD1 4.47Å
332R90.4Very high69.9Low55 Ų5563.6 Ų63.621%0.20832%0.317CS..EExtended strand (participates in β ladder)trans-135.1135.8178-60.2-173.2-174.687.7-14.4111.9S289 Y291 H315 S317 Q330S289-R332 CarbonylContact O-C 3.55Å; S289-R332 WeakPolarHBondContact O-CA 3.12Å; Y291-R332 HydrophobicContact CE2-CB 4.23Å; Y291-R332 HydrophobicContact CE2-CG 4.13Å; H315-R332 WeakPolarHBondContact CB-O 3.09Å; H315-R332 PolarHBondContact N-O 2.67Å; H315-R332 PolarHBondContact O-N 3Å; S317-R332 PolarHBondContact OG-NH1 3.41Å; Q330-R332 HydrophobicContact CG-CG 4.48Å
333L90.5Very high71.4Confident0 Ų054.1 Ų54.10%028%0.279CS..EExtended strand (participates in β ladder)trans-105.495.1162.8-169.172.2000108.7S289 I290 Y291 Y294 I311 R342 I344S289-L333 PolarHBondContact O-N 3.21Å; I290-L333 HydrophobicContact CG1-CB 4.39Å; I290-L333 HydrophobicContact CG2-CD2 4.35Å; Y291-L333 PolarHBondContact N-O 3.33Å; Y294-L333 HydrophobicContact CD1-CD2 4.2Å; Y294-L333 HydrophobicContact CD2-CD2 3.9Å; Y294-L333 HydrophobicContact CD2-CG 4.06Å; Y294-L333 HydrophobicContact CE2-CD2 4.45Å; Y294-L333 HydrophobicContact CE2-CG 4.44Å; Y294-L333 HydrophobicContact CG-CD2 3.75Å; Y294-L333 HydrophobicContact CG-CG 4.41Å; I311-L333 HydrophobicContact CG2-CD1 4.03Å; I311-L333 HydrophobicContact CG2-CD2 3.99Å; I311-L333 HydrophobicContact CG2-CG 4.46Å; L333-R342 HydrophobicContact CD1-CB 4.14Å; L333-R342 HydrophobicContact CD1-CG 4.29Å; L333-I344 HydrophobicContact CD2-CD1 3.59Å; L333-I344 HydrophobicContact CD2-CG1 3.57Å
334H80.8Confident73.3Confident65 Ų6547 Ų4730%0.30124%0.241SC..  trans-68.9152175.2-54-76.4000111H315H315-H334 AromaticContact CG-NE2 3.89Å; H315-H334 AromaticContact ND1-NE2 3.31Å; H315-H334 PolarHBondContact ND1-NE2 2.78Å
335G68.2Low75.2Confident5 Ų546.5 Ų46.55%0.05224%0.235CC..SBendtrans-66.9-166.1168.600000115.1D292 E293 G337D292-G335 WeakPolarHBondContact OD2-CA 3.25Å; D292-G335 PolarHBondContact OD2-N 3.41Å; E293-G335 WeakPolarHBondContact OE2-CA 3.16Å; G335-G337 PolarHBondContact O-N 2.85Å
336N64.6Low77.1Confident114 Ų11441.3 Ų41.361%0.6121%0.207SC*.  trans60.221.5-169-63.3-71.1000114.5E293 H338 K339E293-N336 VanDerWaalsContact OE1-C 3.22Å; E293-N336 WeakPolarHBondContact OE1-CA 3.29Å; E293-N336 PolarHBondContact OE1-N 3.24Å; E293-N336 PolarHBondContact OE2-N 3.02Å; N336-H338 PolarHBondContact O-N 2.87Å; N336-K339 WeakPolarHBondContact O-CB 3.27Å; N336-K339 VanDerWaalsContact O-CG 3.29Å; N336-K339 WeakPolarHBondContact O-CG 3.31Å; N336-K339 PolarHBondContact O-N 3.16Å
337G53.2Low78.5Confident1 Ų139.2 Ų39.21%0.0119%0.192CC..THydrogen-bonded Turntrans-90.59.3-156.400000116.7E293 Y294 G335 K339 R342E293-G337 PolarHBondContact OE1-N 3.16Å; Y294-G337 WeakPolarHBondContact OH-CA 3.34Å; Y294-G337 PolarHBondContact OH-O 2.9Å; G335-G337 PolarHBondContact O-N 2.85Å; G337-K339 CarbonylContact C-O 3.57Å; G337-K339 PolarHBondContact O-N 3.41Å; G337-K339 VanDerWaalsContact O-N 3.09Å; G337-K339 VanDerWaalsContact O-O 3.07Å; G337-R342 PolarHBondContact O-N 3.32Å
338H54.8Low79.4Confident84 Ų8437.2 Ų37.239%0.38918%0.18SC..THydrogen-bonded Turntrans-58.7-11.4148.2-67.1-48.7000111.8H24 K26 N336H24-H338 VanDerWaalsContact CB-O 3.3Å; H24-H338 WeakPolarHBondContact CB-O 3.3Å; H24-H338 PolarHBondContact CD2-O 2.9Å; H24-H338 WeakPolarHBondContact CE1-CB 3.32Å; H24-H338 AromaticContact CE1-CG 3.6Å; H24-H338 AromaticContact CE1-ND1 3.44Å; H24-H338 PolarHBondContact CE1-ND1 2.98Å; H24-H338 PolarHBondContact ND1-O 2.87Å; H24-H338 AromaticContact NE2-CG 3.81Å; H24-H338 AromaticContact NE2-ND1 3.34Å; H24-H338 PolarHBondContact NE2-ND1 3.38Å; K26-H338 WeakPolarHBondContact CE-CD2 3.4Å; K26-H338 PolarHBondContact NZ-CD2 2.85Å; K26-H338 PolarHBondContact NZ-NE2 3.4Å; N336-H338 PolarHBondContact O-N 2.87Å
339K51.1Low79.8Confident87 Ų8740.5 Ų40.538%0.37820%0.196SC..THydrogen-bonded Turntrans-85131.1164.6-55.7178.6179.9168.30109N336 G337N336-K339 WeakPolarHBondContact O-CB 3.27Å; N336-K339 VanDerWaalsContact O-CG 3.29Å; N336-K339 WeakPolarHBondContact O-CG 3.31Å; N336-K339 PolarHBondContact O-N 3.16Å; G337-K339 CarbonylContact C-O 3.57Å; G337-K339 PolarHBondContact O-N 3.41Å; G337-K339 VanDerWaalsContact O-N 3.09Å; G337-K339 VanDerWaalsContact O-O 3.07Å
340F61.8Low79.7Confident62 Ų6243 Ų4327%0.27221%0.207SC..THydrogen-bonded Turntrans71.721.6172-42.4-81000117.1E145 N313 R342E145-F340 VanDerWaalsContact OE2-CB 3.29Å; E145-F340 WeakPolarHBondContact OE2-CB 3.31Å; E145-F340 WeakPolarHBondContact OE2-CD1 3.4Å; E145-F340 WeakPolarHBondContact OE2-CG 3.46Å; N313-F340 WeakPolarHBondContact ND2-CB 3.29Å; N313-F340 PolarHBondContact ND2-O 2.66Å; F340-R342 PolarHBondContact O-N 2.89Å
341G67.8Low79.5Confident17 Ų1744.9 Ų44.918%0.17522%0.222CC..THydrogen-bonded Turntrans68.420.3175.900000114.2H312H312-G341 VanDerWaalsContact CB-O 3.3Å; H312-G341 WeakPolarHBondContact CB-O 3.43Å
342R80.6Confident79.2Confident34 Ų3445.2 Ų45.213%0.12822%0.224CC..  trans-66.5142.9174.8-71174-159.6-176.52.3110.1Y294 H312 N313 L333 G337 F340Y294-R342 HydrophobicContact CE2-CB 4.32Å; Y294-R342 WeakPolarHBondContact OH-CB 3.5Å; Y294-R342 PolarHBondContact OH-O 2.71Å; H312-R342 WeakPolarHBondContact O-CA 3.43Å; N313-R342 HydrophobicContact CB-CG 3.62Å; L333-R342 HydrophobicContact CD1-CB 4.14Å; L333-R342 HydrophobicContact CD1-CG 4.29Å; G337-R342 PolarHBondContact O-N 3.32Å; F340-R342 PolarHBondContact O-N 2.89Å
343G84.2Confident79.1Confident13 Ų1342.9 Ų42.913%0.13422%0.216CC..EExtended strand (participates in β ladder)trans170.5169.1178.800000112.5H312H312-G343 PolarHBondContact N-O 2.88Å; H312-G343 PolarHBondContact O-N 2.94Å
344I89.7Confident78.9Confident18 Ų1847.1 Ų47.19%0.09224%0.237CC..EExtended strand (participates in β ladder)trans-120.2124.1178-57.3175.2000106I290 P299 I300 I309 R310 I311 L333I290-I344 HydrophobicContact CD1-CD1 3.62Å; I290-I344 HydrophobicContact CG1-CD1 4.31Å; I290-I344 HydrophobicContact CG2-CD1 4.13Å; P299-I344 VanDerWaalsContact CD-O 3.25Å; P299-I344 WeakPolarHBondContact CD-O 3.25Å; P299-I344 HydrophobicContact CG-CB 4.25Å; P299-I344 HydrophobicContact CG-CG2 3.87Å; I300-I344 HydrophobicContact CD1-CD1 3.63Å; I300-I344 HydrophobicContact CD1-CG2 4.16Å; I300-I344 HydrophobicContact CG1-CD1 3.42Å; I300-I344 VanDerWaalsContact CG1-CD1 3.42Å; I300-I344 HydrophobicContact CG1-CG2 4.43Å; I309-I344 HydrophobicContact CB-CG2 4.42Å; R310-I344 CarbonylContact O-C 3.57Å; R310-I344 WeakPolarHBondContact O-CA 3.2Å; I311-I344 HydrophobicContact CG1-CG1 4.37Å; I311-I344 HydrophobicContact CG1-CG2 4.47Å; I311-I344 HydrophobicContact CG2-CG1 4.12Å; L333-I344 HydrophobicContact CD2-CD1 3.59Å; L333-I344 HydrophobicContact CD2-CG1 3.57Å
345K90Very high79.1Confident74 Ų7446.7 Ų46.732%0.32224%0.237SC..EExtended strand (participates in β ladder)trans-109.2126.5176178.5178.4-176.6177.40108.2I309 R310 L347 E373I309-K345 CarbonylContact C-O 3.6Å; I309-K345 WeakPolarHBondContact CA-O 3.48Å; R310-K345 HydrophobicContact CB-CB 4.26Å; R310-K345 PolarHBondContact N-O 3.09Å; R310-K345 PolarHBondContact O-N 3.13Å; K345-L347 HydrophobicContact CD-CD2 4.26Å; K345-L347 HydrophobicContact CG-CD2 4.29Å; K345-E373 IonicContact NZ-OE1 3.42Å; K345-E373 PolarHBondContact NZ-OE1 3.05Å; K345-E373 IonicContact NZ-OE2 3.7Å; K345-E373 PolarHBondContact NZ-OE2 3.03Å
346Y93.4Very high80Confident95 Ų9548.6 Ų48.637%0.37324%0.243SC..EExtended strand (participates in β ladder)trans-74.3131.9169.6-176.8-103.4000109.9I303 D307 G348 N349I303-Y346 HydrophobicContact CG2-CD2 4.49Å; D307-Y346 HydrophobicContact CB-CE2 3.86Å; D307-Y346 PolarHBondContact OD1-OH 3.34Å; Y346-G348 PolarHBondContact OH-O 3.15Å; Y346-N349 VanDerWaalsContact OH-CA 3.31Å; Y346-N349 WeakPolarHBondContact OH-CA 3.4Å; Y346-N349 VanDerWaalsContact OH-CB 3.3Å; Y346-N349 WeakPolarHBondContact OH-CB 3.38Å; Y346-N349 PolarHBondContact OH-N 3.47Å
347L93.1Very high81.1Confident6 Ų644.9 Ų44.93%0.03122%0.222CC..EExtended strand (participates in β ladder)trans-107.7-26.1-179.3-61.1179.4000112.7E183 L308 R310 K345 I370 E373 A374 L379E183-L347 HydrophobicContact CG-CD1 4.29Å; L308-L347 HydrophobicContact CB-CB 3.86Å; L308-L347 WeakPolarHBondContact O-CB 3.3Å; L308-L347 PolarHBondContact O-N 3.01Å; R310-L347 HydrophobicContact CB-CD1 4.09Å; R310-L347 HydrophobicContact CB-CD2 4.19Å; R310-L347 HydrophobicContact CB-CG 4.22Å; K345-L347 HydrophobicContact CD-CD2 4.26Å; K345-L347 HydrophobicContact CG-CD2 4.29Å; L347-I370 VanDerWaalsContact O-CG2 3.28Å; L347-I370 WeakPolarHBondContact O-CG2 3.1Å; L347-E373 HydrophobicContact CD2-CG 4.33Å; L347-A374 HydrophobicContact CB-CB 4.1Å; L347-L379 HydrophobicContact CD1-CD2 3.99Å
348G92.1Very high82.5Confident4 Ų450 Ų504%0.04125%0.25CC..EExtended strand (participates in β ladder)trans158.4170.9179.400000112.8L308 Y346L308-G348 PolarHBondContact N-O 2.9Å; Y346-G348 PolarHBondContact OH-O 3.15Å
349N91.9Very high83.7Confident74 Ų7452 Ų5240%0.39626%0.263SS..  trans-89.1174.4178.963.223.7000111.9D307 Y346 C351 L352D307-N349 VanDerWaalsContact OD1-CA 3.29Å; D307-N349 WeakPolarHBondContact OD1-CA 3.27Å; Y346-N349 VanDerWaalsContact OH-CA 3.31Å; Y346-N349 WeakPolarHBondContact OH-CA 3.4Å; Y346-N349 VanDerWaalsContact OH-CB 3.3Å; Y346-N349 WeakPolarHBondContact OH-CB 3.38Å; Y346-N349 PolarHBondContact OH-N 3.47Å; N349-C351 PolarHBondContact O-N 3.29Å; N349-C351 VanDerWaalsContact O-N 3.17Å; N349-C351 VanDerWaalsContact OD1-CB 3.32Å; N349-C351 WeakPolarHBondContact OD1-CB 3.48Å; N349-C351 PolarHBondContact OD1-N 2.64Å; N349-C351 VanDerWaalsContact OD1-N 3.11Å; N349-L352 VanDerWaalsContact O-CB 3.28Å; N349-L352 WeakPolarHBondContact O-CB 3.31Å; N349-L352 PolarHBondContact O-N 3.26Å; N349-L352 PolarHBondContact OD1-N 2.86Å
350K89Confident84.9Confident62 Ų6251 Ų5127%0.2726%0.264SS..Hα-helixtrans-52.4-34.9175.6-171.8174.2179.21730113.6D235 G306 L352 L353 M354D235-K350 IonicContact OD1-NZ 2.95Å; D235-K350 PolarHBondContact OD1-NZ 2.76Å; D235-K350 WeakPolarHBondContact OD2-CE 3.5Å; D235-K350 IonicContact OD2-NZ 3.76Å; D235-K350 PolarHBondContact OD2-NZ 3.36Å; G306-K350 WeakPolarHBondContact O-CA 3.45Å; G306-K350 PolarHBondContact O-N 3.1Å; K350-L352 VanDerWaalsContact C-N 3.26Å; K350-L352 PolarHBondContact O-N 2.64Å; K350-L353 PolarHBondContact O-N 2.99Å; K350-M354 PolarHBondContact O-N 3.25Å
351C87.7Confident84.6Confident71 Ų7155.9 Ų55.948%0.4829%0.292SS..Hα-helixtrans-65.2-28.8179.2-59.80000112.6N349 L353 M354 N355N349-C351 PolarHBondContact O-N 3.29Å; N349-C351 VanDerWaalsContact O-N 3.17Å; N349-C351 VanDerWaalsContact OD1-CB 3.32Å; N349-C351 WeakPolarHBondContact OD1-CB 3.48Å; N349-C351 PolarHBondContact OD1-N 2.64Å; N349-C351 VanDerWaalsContact OD1-N 3.11Å; C351-L353 VanDerWaalsContact C-N 3.31Å; C351-L353 PolarHBondContact O-N 2.96Å; C351-M354 PolarHBondContact O-N 2.77Å; C351-N355 WeakPolarHBondContact O-CB 3.44Å; C351-N355 PolarHBondContact O-N 3.33Å; C351-N355 PolarHBondContact O-OD1 3.36Å
352L87.9Confident84.4Confident9 Ų957 Ų575%0.04729%0.293CS..Hα-helixtrans-58.7-44.5176.6-168.377.1000111.3L308 N349 K350 Y356 F362 I370 L371 A374L308-L352 HydrophobicContact CD1-CB 4.48Å; L308-L352 HydrophobicContact CD1-CD2 3.92Å; N349-L352 VanDerWaalsContact O-CB 3.28Å; N349-L352 WeakPolarHBondContact O-CB 3.31Å; N349-L352 PolarHBondContact O-N 3.26Å; N349-L352 PolarHBondContact OD1-N 2.86Å; K350-L352 VanDerWaalsContact C-N 3.26Å; K350-L352 PolarHBondContact O-N 2.64Å; L352-Y356 WeakPolarHBondContact O-CB 3.27Å; L352-Y356 PolarHBondContact O-N 2.75Å; L352-Y356 VanDerWaalsContact O-N 3.08Å; L352-F362 HydrophobicContact CD1-CE1 4.12Å; L352-F362 HydrophobicContact CD1-CE2 4.46Å; L352-F362 HydrophobicContact CD1-CZ 3.67Å; L352-I370 HydrophobicContact CD1-CG2 3.98Å; L352-I370 HydrophobicContact CD2-CG2 4.01Å; L352-L371 HydrophobicContact CD1-CB 4.36Å; L352-L371 HydrophobicContact CD1-CD1 3.97Å; L352-L371 HydrophobicContact CG-CD1 4.02Å; L352-A374 HydrophobicContact CD2-CB 3.47Å; L352-A374 VanDerWaalsContact CD2-CB 3.47Å
353L88.9Confident83.1Confident5 Ų561.1 Ų61.13%0.02632%0.321CS..Hα-helixtrans-67.3-43.4176.2-179.562.9000111.4K350 C351 N355 Y356 L357 L380 L383 I387K350-L353 PolarHBondContact O-N 2.99Å; C351-L353 VanDerWaalsContact C-N 3.31Å; C351-L353 PolarHBondContact O-N 2.96Å; L353-N355 VanDerWaalsContact C-N 3.31Å; L353-N355 PolarHBondContact O-N 3.17Å; L353-Y356 WeakPolarHBondContact O-CB 3.45Å; L353-Y356 PolarHBondContact O-N 3.24Å; L353-Y356 VanDerWaalsContact O-N 3.13Å; L353-L357 HydrophobicContact CD1-CG 4.36Å; L353-L357 HydrophobicContact CG-CD1 4.19Å; L353-L357 HydrophobicContact CG-CG 4.39Å; L353-L357 VanDerWaalsContact O-CG 3.3Å; L353-L357 WeakPolarHBondContact O-CG 3.19Å; L353-L357 PolarHBondContact O-N 3.48Å; L353-L380 HydrophobicContact CD1-CD2 4.16Å; L353-L383 HydrophobicContact CD1-CB 4.01Å; L353-L383 HydrophobicContact CD1-CD1 4.3Å; L353-L383 HydrophobicContact CD2-CB 4.27Å; L353-L383 HydrophobicContact CD2-CD1 4.19Å; L353-I387 HydrophobicContact CD2-CD1 3.96Å
354M85.5Confident81.8Confident90 Ų9066 Ų6644%0.44335%0.354SS..Hα-helixtrans-59.4-43.1177.9-67.1-58.7-63.600112K350 C351 Y356 L357 N358K350-M354 PolarHBondContact O-N 3.25Å; C351-M354 PolarHBondContact O-N 2.77Å; M354-Y356 VanDerWaalsContact C-N 3.31Å; M354-Y356 PolarHBondContact O-N 2.94Å; M354-L357 PolarHBondContact O-N 2.8Å; M354-L357 HydrophobicContact SD-CD1 4.34Å; M354-N358 PolarHBondContact O-N 3.2Å
355N85Confident80.6Confident56 Ų5667.2 Ų67.230%0.29937%0.371SS..Hα-helixtrans-65-36.9176.6-69.6-4.3000111.9C351 L353 D359 T360 F362C351-N355 WeakPolarHBondContact O-CB 3.44Å; C351-N355 PolarHBondContact O-N 3.33Å; C351-N355 PolarHBondContact O-OD1 3.36Å; L353-N355 VanDerWaalsContact C-N 3.31Å; L353-N355 PolarHBondContact O-N 3.17Å; N355-D359 PolarHBondContact O-N 2.63Å; N355-T360 WeakPolarHBondContact CA-OG1 3.36Å; N355-T360 VanDerWaalsContact CB-OG1 3.3Å; N355-T360 WeakPolarHBondContact CB-OG1 3.49Å; N355-T360 PolarHBondContact O-N 3.17Å; N355-T360 VanDerWaalsContact O-N 3.13Å; N355-T360 PolarHBondContact O-OG1 3.35Å; N355-F362 HydrophobicContact CB-CE1 4.12Å; N355-F362 HydrophobicContact CB-CE2 3.81Å; N355-F362 HydrophobicContact CB-CZ 3.38Å; N355-F362 WeakPolarHBondContact ND2-CE1 3.42Å; N355-F362 WeakPolarHBondContact ND2-CZ 3.33Å
356Y87.5Confident79.5Confident45 Ų4570 Ų7018%0.17639%0.389CS..Hα-helixtrans-66.1-37.9174.1-172.7-103.1000112.7L352 L353 M354 L371 N375 L380 D381 K384L352-Y356 WeakPolarHBondContact O-CB 3.27Å; L352-Y356 PolarHBondContact O-N 2.75Å; L352-Y356 VanDerWaalsContact O-N 3.08Å; L353-Y356 WeakPolarHBondContact O-CB 3.45Å; L353-Y356 PolarHBondContact O-N 3.24Å; L353-Y356 VanDerWaalsContact O-N 3.13Å; M354-Y356 VanDerWaalsContact C-N 3.31Å; M354-Y356 PolarHBondContact O-N 2.94Å; Y356-L371 HydrophobicContact CD2-CD1 3.99Å; Y356-L371 HydrophobicContact CD2-CD2 4.39Å; Y356-N375 PolarHBondContact OH-ND2 2.72Å; Y356-L380 HydrophobicContact CD1-CB 3.56Å; Y356-L380 HydrophobicContact CD1-CD1 4.29Å; Y356-L380 HydrophobicContact CD2-CB 4.38Å; Y356-L380 HydrophobicContact CD2-CD1 3.83Å; Y356-L380 HydrophobicContact CE1-CB 3.62Å; Y356-L380 HydrophobicContact CE2-CB 4.43Å; Y356-L380 HydrophobicContact CE2-CD1 4.35Å; Y356-L380 HydrophobicContact CG-CB 3.95Å; Y356-L380 HydrophobicContact CG-CD1 3.78Å; Y356-D381 VanDerWaalsContact OH-CG 3.26Å; Y356-D381 PolarHBondContact OH-OD1 3.45Å; Y356-D381 PolarHBondContact OH-OD2 3.01Å; Y356-K384 HydrophobicContact CD1-CD 4.5Å; Y356-K384 HydrophobicContact CE1-CD 4.19Å
357L87Confident78.4Confident36 Ų3669.7 Ų69.719%0.18839%0.394CS..Hα-helixtrans-68.7-39.2177.9-68.4172.2000112.3L353 M354 D359 K384 I387L353-L357 HydrophobicContact CD1-CG 4.36Å; L353-L357 HydrophobicContact CG-CD1 4.19Å; L353-L357 HydrophobicContact CG-CG 4.39Å; L353-L357 VanDerWaalsContact O-CG 3.3Å; L353-L357 WeakPolarHBondContact O-CG 3.19Å; L353-L357 PolarHBondContact O-N 3.48Å; M354-L357 PolarHBondContact O-N 2.8Å; M354-L357 HydrophobicContact SD-CD1 4.34Å; L357-D359 PolarHBondContact O-N 3.11Å; L357-K384 HydrophobicContact CD2-CB 3.68Å; L357-K384 HydrophobicContact CD2-CD 3.91Å; L357-K384 HydrophobicContact CD2-CG 3.5Å; L357-I387 HydrophobicContact CD1-CD1 3.68Å; L357-I387 HydrophobicContact CD2-CD1 4.41Å
358N84.4Confident77.5Confident109 Ų10971 Ų7158%0.58341%0.405SS*.THydrogen-bonded Turntrans-82.24.6-177.9-69.7-14.1000114M354 T360M354-N358 PolarHBondContact O-N 3.2Å; N358-T360 HydrophobicContact CB-CG2 3.91Å; N358-T360 PolarHBondContact O-N 3.31Å
359D79.5Confident77Confident124 Ų12475.8 Ų75.866%0.66343%0.43SS*.THydrogen-bonded Turntrans49.427.6-172.1-61-35.8000112.8N355 L357 L361 K384N355-D359 PolarHBondContact O-N 2.63Å; L357-D359 PolarHBondContact O-N 3.11Å; D359-L361 PolarHBondContact O-N 3.31Å; D359-L361 VanDerWaalsContact O-N 3.1Å; D359-K384 IonicContact OD1-NZ 3.4Å
360T75.2Confident76.7Confident67 Ų6775.6 Ų75.641%0.41143%0.428SS..  trans-70.9110.5178.645.20000108.8N355 N358 F362N355-T360 WeakPolarHBondContact CA-OG1 3.36Å; N355-T360 VanDerWaalsContact CB-OG1 3.3Å; N355-T360 WeakPolarHBondContact CB-OG1 3.49Å; N355-T360 PolarHBondContact O-N 3.17Å; N355-T360 VanDerWaalsContact O-N 3.13Å; N355-T360 PolarHBondContact O-OG1 3.35Å; N358-T360 HydrophobicContact CB-CG2 3.91Å; N358-T360 PolarHBondContact O-N 3.31Å; T360-F362 PolarHBondContact O-N 3.49Å; T360-F362 VanDerWaalsContact O-N 3.11Å
361L56.5Low76.5Confident164 Ų16474.1 Ų74.186%0.85942%0.423SS*.  trans-56.1113.2177.1-78.5148.9000110.1D359 T363D359-L361 PolarHBondContact O-N 3.31Å; D359-L361 VanDerWaalsContact O-N 3.1Å; L361-T363 PolarHBondContact O-N 3.43Å; L361-T363 VanDerWaalsContact O-N 3.08Å
362F64.1Low76.4Confident42 Ų4276 Ų7618%0.18443%0.428CS..  trans-63.2111.8163.9-67.7-87.4000107.8L352 N355 T360 S364 D367 L371L352-F362 HydrophobicContact CD1-CE1 4.12Å; L352-F362 HydrophobicContact CD1-CE2 4.46Å; L352-F362 HydrophobicContact CD1-CZ 3.67Å; N355-F362 HydrophobicContact CB-CE1 4.12Å; N355-F362 HydrophobicContact CB-CE2 3.81Å; N355-F362 HydrophobicContact CB-CZ 3.38Å; N355-F362 WeakPolarHBondContact ND2-CE1 3.42Å; N355-F362 WeakPolarHBondContact ND2-CZ 3.33Å; T360-F362 PolarHBondContact O-N 3.49Å; T360-F362 VanDerWaalsContact O-N 3.11Å; F362-S364 PolarHBondContact O-N 3.05Å; F362-D367 HydrophobicContact CB-CB 4.3Å; F362-D367 HydrophobicContact CD1-CB 3.52Å; F362-D367 HydrophobicContact CE1-CB 4.18Å; F362-D367 HydrophobicContact CG-CB 4.22Å; F362-L371 HydrophobicContact CD2-CB 4.39Å; F362-L371 HydrophobicContact CD2-CD1 4.45Å; F362-L371 HydrophobicContact CD2-CD2 3.71Å; F362-L371 HydrophobicContact CD2-CG 4.4Å; F362-L371 HydrophobicContact CE2-CB 4.28Å; F362-L371 HydrophobicContact CE2-CD1 3.68Å; F362-L371 HydrophobicContact CE2-CD2 3.74Å; F362-L371 HydrophobicContact CE2-CG 4.1Å; F362-L371 HydrophobicContact CZ-CD1 4.24Å
363T52.5Low76.5Confident119 Ų11977.1 Ų77.173%0.7343%0.433SS*.  trans-65.6107175.251.10000108.4L361L361-T363 PolarHBondContact O-N 3.43Å; L361-T363 VanDerWaalsContact O-N 3.08Å
364S55.9Low76.5Confident117 Ų11776.9 Ų76.982%0.81843%0.432SS*.SBendtrans11.8115.8168.659.50000117.3F362F362-S364 PolarHBondContact O-N 3.05Å
365G65Low76.8Confident43 Ų4374.2 Ų74.244%0.44342%0.419SS..SBendtrans156.7-152.7174.800000114D367 A368G365-D367 PolarHBondContact O-N 3.03Å; G365-A368 PolarHBondContact O-N 3.02Å
366D68.3Low76.9Confident133 Ų13377.5 Ų77.571%0.71143%0.428SS*.Hα-helixtrans-58.4-34.1176.8-72.7-27.7000112.4A368 N369 I370D366-A368 PolarHBondContact O-N 3.41Å; D366-N369 WeakPolarHBondContact O-CB 3.37Å; D366-N369 PolarHBondContact O-N 2.81Å; D366-I370 WeakPolarHBondContact O-CG1 3.49Å; D366-I370 PolarHBondContact O-N 3.48Å
367D70.2Confident77.1Confident88 Ų8878.3 Ų78.347%0.47143%0.431SS..Hα-helixtrans-66.8-36.4-179.1-62.8-28.9000113.5F362 G365 N369 I370 L371F362-D367 HydrophobicContact CB-CB 4.3Å; F362-D367 HydrophobicContact CD1-CB 3.52Å; F362-D367 HydrophobicContact CE1-CB 4.18Å; F362-D367 HydrophobicContact CG-CB 4.22Å; G365-D367 PolarHBondContact O-N 3.03Å; D367-N369 VanDerWaalsContact C-N 3.31Å; D367-N369 PolarHBondContact O-N 3.18Å; D367-I370 PolarHBondContact O-N 3.13Å; D367-L371 PolarHBondContact O-N 3.36Å
368A73.1Confident77.3Confident32 Ų3277.8 Ų77.826%0.26443%0.434SS..Hα-helixtrans-64.4-38.9175.500000111.1G365 D366 I370 L371 D372G365-A368 PolarHBondContact O-N 3.02Å; D366-A368 PolarHBondContact O-N 3.41Å; A368-I370 VanDerWaalsContact C-N 3.34Å; A368-I370 PolarHBondContact O-N 2.87Å; A368-L371 PolarHBondContact O-N 3.4Å; A368-D372 WeakPolarHBondContact O-CB 3.36Å; A368-D372 PolarHBondContact O-N 3.21Å
369N81.6Confident77.8Confident106 Ų10673 Ų7357%0.56741%0.408SS*.Hα-helixtrans-66-36.8175.1-67.9-35.9000112D366 D367 E373D366-N369 WeakPolarHBondContact O-CB 3.37Å; D366-N369 PolarHBondContact O-N 2.81Å; D367-N369 VanDerWaalsContact C-N 3.31Å; D367-N369 PolarHBondContact O-N 3.18Å; N369-E373 VanDerWaalsContact O-CB 3.24Å; N369-E373 WeakPolarHBondContact O-CB 3.42Å; N369-E373 PolarHBondContact O-N 3.27Å
370I85.4Confident78.5Confident69 Ų6967 Ų6735%0.35438%0.377SS..Hα-helixtrans-66.1-44.9176.5-66.9167.5000110.1L347 L352 D366 D367 A368 E373 A374L347-I370 VanDerWaalsContact O-CG2 3.28Å; L347-I370 WeakPolarHBondContact O-CG2 3.1Å; L352-I370 HydrophobicContact CD1-CG2 3.98Å; L352-I370 HydrophobicContact CD2-CG2 4.01Å; D366-I370 WeakPolarHBondContact O-CG1 3.49Å; D366-I370 PolarHBondContact O-N 3.48Å; D367-I370 PolarHBondContact O-N 3.13Å; A368-I370 VanDerWaalsContact C-N 3.34Å; A368-I370 PolarHBondContact O-N 2.87Å; I370-E373 PolarHBondContact O-N 3.4Å; I370-A374 WeakPolarHBondContact O-CB 3.3Å; I370-A374 PolarHBondContact O-N 3.01Å
371L86.4Confident79.3Confident32 Ų3267.1 Ų67.117%0.16838%0.375CS..Hα-helixtrans-60.7-48.5177.1-170.974000111.8L352 Y356 F362 D367 A368 E373 A374 N375 L380L352-L371 HydrophobicContact CD1-CB 4.36Å; L352-L371 HydrophobicContact CD1-CD1 3.97Å; L352-L371 HydrophobicContact CG-CD1 4.02Å; Y356-L371 HydrophobicContact CD2-CD1 3.99Å; Y356-L371 HydrophobicContact CD2-CD2 4.39Å; F362-L371 HydrophobicContact CD2-CB 4.39Å; F362-L371 HydrophobicContact CD2-CD1 4.45Å; F362-L371 HydrophobicContact CD2-CD2 3.71Å; F362-L371 HydrophobicContact CD2-CG 4.4Å; F362-L371 HydrophobicContact CE2-CB 4.28Å; F362-L371 HydrophobicContact CE2-CD1 3.68Å; F362-L371 HydrophobicContact CE2-CD2 3.74Å; F362-L371 HydrophobicContact CE2-CG 4.1Å; F362-L371 HydrophobicContact CZ-CD1 4.24Å; D367-L371 PolarHBondContact O-N 3.36Å; A368-L371 PolarHBondContact O-N 3.4Å; L371-E373 VanDerWaalsContact C-N 3.29Å; L371-E373 PolarHBondContact O-N 3.28Å; L371-A374 PolarHBondContact O-N 3.07Å; L371-N375 PolarHBondContact O-N 2.78Å; L371-L380 HydrophobicContact CD1-CD1 3.46Å; L371-L380 VanDerWaalsContact CD1-CD1 3.46Å; L371-L380 HydrophobicContact CG-CD1 4.38Å
372D85.6Confident81.1Confident110 Ų11059.7 Ų59.759%0.58834%0.337SS*.Hα-helixtrans-62.2-36.4177.6-77.5-12.4000112A368 R376A368-D372 WeakPolarHBondContact O-CB 3.36Å; A368-D372 PolarHBondContact O-N 3.21Å; D372-R376 WeakPolarHBondContact O-CA 3.28Å; D372-R376 WeakPolarHBondContact O-CB 3.38Å; D372-R376 PolarHBondContact O-N 3.45Å
373E89Confident82.6Confident33 Ų3357.7 Ų57.715%0.15433%0.328CS..Hα-helixtrans-70.5-40176.317965.6-140.100112.3R310 K345 L347 N369 I370 L371 R376R310-E373 IonicContact CZ-OE1 3.67Å; R310-E373 IonicContact NH1-OE1 2.9Å; R310-E373 PolarHBondContact NH1-OE1 3.18Å; R310-E373 PolarHBondContact NH2-O 2.9Å; R310-E373 IonicContact NH2-OE1 3.79Å; R310-E373 PolarHBondContact NH2-OE1 3.02Å; K345-E373 IonicContact NZ-OE1 3.42Å; K345-E373 PolarHBondContact NZ-OE1 3.05Å; K345-E373 IonicContact NZ-OE2 3.7Å; K345-E373 PolarHBondContact NZ-OE2 3.03Å; L347-E373 HydrophobicContact CD2-CG 4.33Å; N369-E373 VanDerWaalsContact O-CB 3.24Å; N369-E373 WeakPolarHBondContact O-CB 3.42Å; N369-E373 PolarHBondContact O-N 3.27Å; I370-E373 PolarHBondContact O-N 3.4Å; L371-E373 VanDerWaalsContact C-N 3.29Å; L371-E373 PolarHBondContact O-N 3.28Å; E373-R376 VanDerWaalsContact CD-NH1 3.28Å; E373-R376 IonicContact OE1-CZ 2.96Å; E373-R376 IonicContact OE1-NH1 3.26Å; E373-R376 PolarHBondContact OE1-NH1 2.79Å; E373-R376 VanDerWaalsContact OE1-NH1 3.09Å; E373-R376 IonicContact OE2-CZ 3.65Å; E373-R376 IonicContact OE2-NH1 3.06Å; E373-R376 PolarHBondContact OE2-NH1 3.05Å; E373-R376 IonicContact OE2-NH2 2.59Å; E373-R376 PolarHBondContact OE2-NH2 3.35Å
374A89.8Confident84.6Confident0 Ų054.6 Ų54.60%030%0.304CS..Hα-helixtrans-71-39.1178.900000112L347 L352 I370 L371L347-A374 HydrophobicContact CB-CB 4.1Å; L352-A374 HydrophobicContact CD2-CB 3.47Å; L352-A374 VanDerWaalsContact CD2-CB 3.47Å; I370-A374 WeakPolarHBondContact O-CB 3.3Å; I370-A374 PolarHBondContact O-N 3.01Å; L371-A374 PolarHBondContact O-N 3.07Å
375N91.3Very high86.4Confident33 Ų3355.6 Ų55.618%0.17629%0.29CS..SBendtrans-94.47.7177.9-154.139.2000114.2Y356 L371 Y377 G378 L379 L380 D381Y356-N375 PolarHBondContact OH-ND2 2.72Å; L371-N375 PolarHBondContact O-N 2.78Å; N375-Y377 PolarHBondContact O-N 2.96Å; N375-G378 PolarHBondContact O-N 2.77Å; N375-G378 VanDerWaalsContact OD1-C 3.28Å; N375-G378 WeakPolarHBondContact OD1-CA 3.49Å; N375-L379 PolarHBondContact OD1-N 2.78Å; N375-L380 HydrophobicContact CB-CB 4.21Å; N375-L380 HydrophobicContact CB-CD1 3.83Å; N375-L380 HydrophobicContact CB-CG 3.85Å; N375-L380 WeakPolarHBondContact OD1-CB 3.48Å; N375-L380 PolarHBondContact OD1-N 3.33Å; N375-D381 PolarHBondContact ND2-OD2 2.82Å; N375-D381 PolarHBondContact OD1-N 2.91Å
376R87.7Confident87.7Confident126 Ų12653.6 Ų53.648%0.47527%0.269SS..THydrogen-bonded Turntrans-48.8-34.2-178.6178.6173.6-71151.28.5113.5D372 E373D372-R376 WeakPolarHBondContact O-CA 3.28Å; D372-R376 WeakPolarHBondContact O-CB 3.38Å; D372-R376 PolarHBondContact O-N 3.45Å; E373-R376 VanDerWaalsContact CD-NH1 3.28Å; E373-R376 IonicContact OE1-CZ 2.96Å; E373-R376 IonicContact OE1-NH1 3.26Å; E373-R376 PolarHBondContact OE1-NH1 2.79Å; E373-R376 VanDerWaalsContact OE1-NH1 3.09Å; E373-R376 IonicContact OE2-CZ 3.65Å; E373-R376 IonicContact OE2-NH1 3.06Å; E373-R376 PolarHBondContact OE2-NH1 3.05Å; E373-R376 IonicContact OE2-NH2 2.59Å; E373-R376 PolarHBondContact OE2-NH2 3.35Å
377Y90.1Very high88.9Confident62 Ų6249 Ų4924%0.24324%0.244CC..THydrogen-bonded Turntrans-114.816.8-178.7-53.4-74000113.5I164 I168 N375I164-Y377 HydrophobicContact CG2-CE1 4.43Å; I168-Y377 HydrophobicContact CB-CD2 4.42Å; I168-Y377 HydrophobicContact CB-CG 4.23Å; I168-Y377 HydrophobicContact CD1-CD2 4.11Å; I168-Y377 HydrophobicContact CD1-CE2 4.11Å; I168-Y377 HydrophobicContact CG1-CD1 4.08Å; I168-Y377 HydrophobicContact CG1-CD2 3.26Å; I168-Y377 HydrophobicContact CG1-CE1 4.42Å; I168-Y377 HydrophobicContact CG1-CE2 3.66Å; I168-Y377 HydrophobicContact CG1-CG 3.48Å; I168-Y377 VanDerWaalsContact CG1-CG 3.48Å; N375-Y377 PolarHBondContact O-N 2.96Å
378G91.5Very high90Very high25 Ų2550 Ų5026%0.25825%0.25SC..SBendtrans79.321.1176.600000115.1N375 D381 S382N375-G378 PolarHBondContact O-N 2.77Å; N375-G378 VanDerWaalsContact OD1-C 3.28Å; N375-G378 WeakPolarHBondContact OD1-CA 3.49Å; G378-D381 PolarHBondContact O-N 2.77Å; G378-S382 WeakPolarHBondContact O-CB 3.3Å; G378-S382 PolarHBondContact O-N 2.74Å
379L94.4Very high90.8Very high7 Ų753.3 Ų53.34%0.03726%0.262CS..Hα-helixtrans-58.1-49.8177.9175.864.3000111.7E183 D205 L308 L347 N375 D381 S382 L383E183-L379 HydrophobicContact CB-CD1 4.1Å; E183-L379 HydrophobicContact CB-CD2 4.07Å; E183-L379 HydrophobicContact CB-CG 4.48Å; D205-L379 HydrophobicContact CB-CD1 4.32Å; L308-L379 HydrophobicContact CB-CD2 4.49Å; L308-L379 HydrophobicContact CD2-CD2 4.21Å; L347-L379 HydrophobicContact CD1-CD2 3.99Å; N375-L379 PolarHBondContact OD1-N 2.78Å; L379-D381 VanDerWaalsContact C-N 3.32Å; L379-D381 PolarHBondContact O-N 2.98Å; L379-S382 PolarHBondContact O-N 2.65Å; L379-S382 VanDerWaalsContact O-N 3.16Å; L379-L383 HydrophobicContact CD1-CD1 4.04Å; L379-L383 HydrophobicContact CD1-CG 4.13Å; L379-L383 HydrophobicContact CG-CD1 3.91Å; L379-L383 HydrophobicContact CG-CG 4.38Å; L379-L383 VanDerWaalsContact O-CG 3.3Å; L379-L383 WeakPolarHBondContact O-CG 3.3Å; L379-L383 PolarHBondContact O-N 3.04Å
380L94.4Very high91.2Very high0 Ų049.3 Ų49.30%024%0.239CC..Hα-helixtrans-66.7-36.7-176-53.7-175.1000111.4L308 L353 Y356 L371 N375 S382 L383 K384L308-L380 HydrophobicContact CD1-CD2 3.57Å; L353-L380 HydrophobicContact CD1-CD2 4.16Å; Y356-L380 HydrophobicContact CD1-CB 3.56Å; Y356-L380 HydrophobicContact CD1-CD1 4.29Å; Y356-L380 HydrophobicContact CD2-CB 4.38Å; Y356-L380 HydrophobicContact CD2-CD1 3.83Å; Y356-L380 HydrophobicContact CE1-CB 3.62Å; Y356-L380 HydrophobicContact CE2-CB 4.43Å; Y356-L380 HydrophobicContact CE2-CD1 4.35Å; Y356-L380 HydrophobicContact CG-CB 3.95Å; Y356-L380 HydrophobicContact CG-CD1 3.78Å; L371-L380 HydrophobicContact CD1-CD1 3.46Å; L371-L380 VanDerWaalsContact CD1-CD1 3.46Å; L371-L380 HydrophobicContact CG-CD1 4.38Å; N375-L380 HydrophobicContact CB-CB 4.21Å; N375-L380 HydrophobicContact CB-CD1 3.83Å; N375-L380 HydrophobicContact CB-CG 3.85Å; N375-L380 WeakPolarHBondContact OD1-CB 3.48Å; N375-L380 PolarHBondContact OD1-N 3.33Å; L380-S382 VanDerWaalsContact C-N 3.34Å; L380-L383 HydrophobicContact CD2-CD1 4.49Å; L380-L383 PolarHBondContact O-N 3.36Å; L380-K384 VanDerWaalsContact O-CB 3.31Å; L380-K384 WeakPolarHBondContact O-CB 3.36Å; L380-K384 PolarHBondContact O-N 2.82Å
381D92.8Very high91.5Very high69 Ų6949.8 Ų49.837%0.36925%0.247SC..Hα-helixtrans-62.4-41.7172.9-68.8-50.9000112.2Y356 N375 G378 L379 R385Y356-D381 VanDerWaalsContact OH-CG 3.26Å; Y356-D381 PolarHBondContact OH-OD1 3.45Å; Y356-D381 PolarHBondContact OH-OD2 3.01Å; N375-D381 PolarHBondContact ND2-OD2 2.82Å; N375-D381 PolarHBondContact OD1-N 2.91Å; G378-D381 PolarHBondContact O-N 2.77Å; L379-D381 VanDerWaalsContact C-N 3.32Å; L379-D381 PolarHBondContact O-N 2.98Å; D381-R385 WeakPolarHBondContact O-CG 3.31Å; D381-R385 PolarHBondContact O-N 2.87Å
382S94.3Very high91.7Very high8 Ų849.6 Ų49.66%0.05625%0.247CC..Hα-helixtrans-67.5-41.9177.8-161.80000112.1D205 G206 P207 G378 L379 L380 R385 G386D205-S382 WeakPolarHBondContact O-CB 3.25Å; D205-S382 PolarHBondContact O-OG 3.5Å; G206-S382 WeakPolarHBondContact CA-O 3.4Å; P207-S382 WeakPolarHBondContact CD-O 3.46Å; G378-S382 WeakPolarHBondContact O-CB 3.3Å; G378-S382 PolarHBondContact O-N 2.74Å; L379-S382 PolarHBondContact O-N 2.65Å; L379-S382 VanDerWaalsContact O-N 3.16Å; L380-S382 VanDerWaalsContact C-N 3.34Å; S382-R385 PolarHBondContact O-N 3.13Å; S382-R385 PolarHBondContact OG-NH2 3.43Å; S382-G386 PolarHBondContact O-N 3.37Å; S382-G386 VanDerWaalsContact O-N 3.08Å
383L96Very high91.9Very high0 Ų046 Ų460%023%0.228CC..Hα-helixtrans-63.2-45.1174.3-66.4173.1000111.6Q185 W204 L308 L353 L379 L380 R385 G386 I387Q185-L383 HydrophobicContact CB-CD1 4.13Å; Q185-L383 HydrophobicContact CB-CD2 4.16Å; W204-L383 HydrophobicContact CD2-CD2 3.87Å; W204-L383 HydrophobicContact CE3-CD2 4.32Å; W204-L383 HydrophobicContact CG-CD2 4.39Å; W204-L383 HydrophobicContact CH2-CD2 4.08Å; W204-L383 HydrophobicContact CZ2-CD2 3.62Å; W204-L383 HydrophobicContact CZ3-CD2 4.42Å; L308-L383 HydrophobicContact CD2-CD1 3.66Å; L353-L383 HydrophobicContact CD1-CB 4.01Å; L353-L383 HydrophobicContact CD1-CD1 4.3Å; L353-L383 HydrophobicContact CD2-CB 4.27Å; L353-L383 HydrophobicContact CD2-CD1 4.19Å; L379-L383 HydrophobicContact CD1-CD1 4.04Å; L379-L383 HydrophobicContact CD1-CG 4.13Å; L379-L383 HydrophobicContact CG-CD1 3.91Å; L379-L383 HydrophobicContact CG-CG 4.38Å; L379-L383 VanDerWaalsContact O-CG 3.3Å; L379-L383 WeakPolarHBondContact O-CG 3.3Å; L379-L383 PolarHBondContact O-N 3.04Å; L380-L383 HydrophobicContact CD2-CD1 4.49Å; L380-L383 PolarHBondContact O-N 3.36Å; L383-R385 VanDerWaalsContact C-N 3.32Å; L383-R385 PolarHBondContact O-N 2.99Å; L383-G386 PolarHBondContact O-N 3.05Å; L383-I387 WeakPolarHBondContact O-CG1 3.26Å; L383-I387 PolarHBondContact O-N 3.08Å
384K94.6Very high91.9Very high54 Ų5445.7 Ų45.724%0.23523%0.227CC..Hα-helixtrans-56.2-44.3175.4179.7167.6-171.2168.50111.6Y356 L357 D359 L380 G386 I387 N388Y356-K384 HydrophobicContact CD1-CD 4.5Å; Y356-K384 HydrophobicContact CE1-CD 4.19Å; L357-K384 HydrophobicContact CD2-CB 3.68Å; L357-K384 HydrophobicContact CD2-CD 3.91Å; L357-K384 HydrophobicContact CD2-CG 3.5Å; D359-K384 IonicContact OD1-NZ 3.4Å; L380-K384 VanDerWaalsContact O-CB 3.31Å; L380-K384 WeakPolarHBondContact O-CB 3.36Å; L380-K384 PolarHBondContact O-N 2.82Å; K384-G386 PolarHBondContact O-N 2.63Å; K384-I387 PolarHBondContact O-N 2.96Å; K384-N388 WeakPolarHBondContact O-CB 3.47Å; K384-N388 VanDerWaalsContact O-CG 3.24Å; K384-N388 PolarHBondContact O-N 3.39Å; K384-N388 PolarHBondContact O-ND2 3.41Å
385R93.2Very high91.9Very high138 Ų13852.2 Ų52.252%0.52126%0.256SS..Hα-helixtrans-60.4-43.9173.8-72.3-174.6-57.91685.2112.2P207 D381 S382 L383 N388 L389P207-R385 HydrophobicContact CG-CB 4.34Å; D381-R385 WeakPolarHBondContact O-CG 3.31Å; D381-R385 PolarHBondContact O-N 2.87Å; S382-R385 PolarHBondContact O-N 3.13Å; S382-R385 PolarHBondContact OG-NH2 3.43Å; L383-R385 VanDerWaalsContact C-N 3.32Å; L383-R385 PolarHBondContact O-N 2.99Å; R385-N388 PolarHBondContact O-N 2.88Å; R385-L389 WeakPolarHBondContact O-CB 3.49Å; R385-L389 VanDerWaalsContact O-CG 3.26Å; R385-L389 WeakPolarHBondContact O-CG 3.17Å; R385-L389 PolarHBondContact O-N 3.24Å
386G93Very high91.5Very high0 Ų051.7 Ų51.70%025%0.254CS..Hα-helixtrans-62.6-44179.400000113.2S382 L383 K384 N388 L389 R390S382-G386 PolarHBondContact O-N 3.37Å; S382-G386 VanDerWaalsContact O-N 3.08Å; L383-G386 PolarHBondContact O-N 3.05Å; K384-G386 PolarHBondContact O-N 2.63Å; G386-N388 VanDerWaalsContact C-N 3.33Å; G386-N388 PolarHBondContact O-N 3.23Å; G386-L389 PolarHBondContact O-N 3.4Å; G386-R390 PolarHBondContact O-N 2.88Å
387I93Very high91.1Very high37 Ų3752.2 Ų52.219%0.1926%0.26CS..Hα-helixtrans-59.9-45.2175.5-68.1169.2000110.6W204 L241 L353 L357 L383 K384 L389 R390W204-I387 HydrophobicContact CH2-CG1 4.06Å; W204-I387 HydrophobicContact CZ2-CG1 4.4Å; L241-I387 HydrophobicContact CD2-CG1 3.84Å; L353-I387 HydrophobicContact CD2-CD1 3.96Å; L357-I387 HydrophobicContact CD1-CD1 3.68Å; L357-I387 HydrophobicContact CD2-CD1 4.41Å; L383-I387 WeakPolarHBondContact O-CG1 3.26Å; L383-I387 PolarHBondContact O-N 3.08Å; K384-I387 PolarHBondContact O-N 2.96Å; I387-L389 VanDerWaalsContact C-N 3.3Å; I387-L389 PolarHBondContact O-N 3.01Å; I387-R390 CarbonylContact O-C 3.57Å; I387-R390 PolarHBondContact O-N 3.45Å
388N92Very high90.1Very high110 Ų11052.9 Ų52.959%0.58827%0.273SS*.Hα-helixtrans-69.9-25.3-179.3-69.1-14.8000113.6K384 R385 G386K384-N388 WeakPolarHBondContact O-CB 3.47Å; K384-N388 VanDerWaalsContact O-CG 3.24Å; K384-N388 PolarHBondContact O-N 3.39Å; K384-N388 PolarHBondContact O-ND2 3.41Å; R385-N388 PolarHBondContact O-N 2.88Å; G386-N388 VanDerWaalsContact C-N 3.33Å; G386-N388 PolarHBondContact O-N 3.23Å
389L91.6Very high89Confident101 Ų10161.1 Ų61.153%0.52930%0.304SS..Hα-helixtrans-78-24.6178.4-77.9168.6000113.4P207 W284 R385 G386 I387P207-L389 HydrophobicContact CB-CD1 3.5Å; P207-L389 HydrophobicContact CG-CD1 3.58Å; W284-L389 HydrophobicContact CH2-CB 4.21Å; R385-L389 WeakPolarHBondContact O-CB 3.49Å; R385-L389 VanDerWaalsContact O-CG 3.26Å; R385-L389 WeakPolarHBondContact O-CG 3.17Å; R385-L389 PolarHBondContact O-N 3.24Å; G386-L389 PolarHBondContact O-N 3.4Å; I387-L389 VanDerWaalsContact C-N 3.3Å; I387-L389 PolarHBondContact O-N 3.01Å
390R90.2Very high88.2Confident22 Ų2268 Ų688%0.08334%0.34CS..SBendtrans-132.165.9-178.4-70.2-176.2-178.4173.12.5111L241 T242 E279 R282 W284 G386 I387 R473 W599L241-R390 HydrophobicContact CD1-CB 3.64Å; L241-R390 WeakPolarHBondContact CD1-O 3.46Å; L241-R390 VanDerWaalsContact O-CD 3.3Å; L241-R390 WeakPolarHBondContact O-CD 3.43Å; L241-R390 PolarHBondContact O-NH1 3.11Å; L241-R390 VanDerWaalsContact O-NH1 3.09Å; T242-R390 PolarHBondContact O-NH1 3.37Å; T242-R390 VanDerWaalsContact O-NH1 3.13Å; E279-R390 PolarHBondContact O-NE 3.13Å; E279-R390 PolarHBondContact O-NH2 2.82Å; R282-R390 PolarHBondContact O-NH1 3.4Å; R282-R390 PolarHBondContact O-NH2 3.17Å; W284-R390 VanDerWaalsContact CE2-NH2 3.29Å; W284-R390 HydrophobicContact CH2-CG 3.82Å; W284-R390 HydrophobicContact CZ2-CG 4.47Å; W284-R390 VanDerWaalsContact CZ2-CZ 3.49Å; W284-R390 HydrophobicContact CZ3-CG 4.24Å; W284-R390 VanDerWaalsContact NE1-NH2 3.19Å; G386-R390 PolarHBondContact O-N 2.88Å; I387-R390 CarbonylContact O-C 3.57Å; I387-R390 PolarHBondContact O-N 3.45Å; R390-R473 VanDerWaalsContact NH1-NH2 3.13Å; R390-W599 PolarHBondContact O-NE1 2.93Å
391P90.4Very high87.7Confident79 Ų7969.5 Ų69.551%0.51335%0.348SS..  trans-61.4152.5172.229.4-35.1000110.5W599P391-W599 PolarHBondContact O-NE1 3.49Å
392P91.4Very high87.4Confident28 Ų2868.1 Ų68.118%0.18234%0.343CS..  trans-64.4141.4170.826.3-30.6000109.9L394 K395 W599 D601P392-L394 WeakPolarHBondContact CB-O 3.33Å; P392-K395 HydrophobicContact CB-CB 4.46Å; P392-K395 HydrophobicContact CG-CB 3.84Å; P392-K395 HydrophobicContact CG-CD 4.28Å; P392-W599 VanDerWaalsContact CA-CE2 3.43Å; P392-W599 HydrophobicContact CB-CD2 3.9Å; P392-W599 HydrophobicContact CB-CE3 3.82Å; P392-W599 HydrophobicContact CB-CH2 3.49Å; P392-W599 VanDerWaalsContact CB-CH2 3.49Å; P392-W599 HydrophobicContact CB-CZ2 3.57Å; P392-W599 HydrophobicContact CB-CZ3 3.62Å; P392-W599 HydrophobicContact CG-CH2 3.68Å; P392-W599 HydrophobicContact CG-CZ2 3.82Å; P392-W599 HydrophobicContact CG-CZ3 4.24Å; P392-W599 VanDerWaalsContact N-CZ2 3.27Å; P392-D601 HydrophobicContact CB-CB 4.05Å
393L88.9Confident87Confident35 Ų3574.9 Ų74.918%0.18337%0.368CS..SBendtrans-64.6-46.3176.9176.767.6000111.5L548 L552 L595 Q598 W599 I600L393-L548 HydrophobicContact CD2-CD1 3.97Å; L393-L552 HydrophobicContact CD1-CD2 3.47Å; L393-L552 VanDerWaalsContact CD1-CD2 3.47Å; L393-L552 HydrophobicContact CD1-CG 4.09Å; L393-L552 HydrophobicContact CD2-CD2 4.3Å; L393-L595 HydrophobicContact CD2-CD2 3.13Å; L393-Q598 HydrophobicContact CB-CB 4.24Å; L393-Q598 HydrophobicContact CD2-CB 4.16Å; L393-Q598 HydrophobicContact CD2-CG 4.44Å; L393-W599 WeakPolarHBondContact CB-O 3.25Å; L393-W599 PolarHBondContact N-O 2.97Å; L393-I600 HydrophobicContact CB-CG2 4.44Å
394L88.9Confident86.7Confident25 Ų2577.8 Ų77.813%0.13138%0.382CS..SBendtrans-114.5137.7173.3-62.8-175.6000108.6P392 L548 I600 D601 V602 I629P392-L394 WeakPolarHBondContact CB-O 3.33Å; L394-L548 HydrophobicContact CD1-CD1 3.89Å; L394-L548 HydrophobicContact CD2-CD1 4.24Å; L394-L548 HydrophobicContact CG-CD1 4.13Å; L394-I600 HydrophobicContact CB-CB 4.36Å; L394-I600 HydrophobicContact CB-CG2 4.41Å; L394-I600 HydrophobicContact CD1-CG2 4.39Å; L394-I600 HydrophobicContact CG-CG2 4.31Å; L394-D601 CarbonylContact C-O 3.53Å; L394-D601 CarbonylContact O-C 3.58Å; L394-D601 WeakPolarHBondContact O-CA 3.42Å; L394-D601 VanDerWaalsContact O-CB 3.29Å; L394-D601 WeakPolarHBondContact O-CB 3.28Å; L394-D601 PolarHBondContact O-N 2.94Å; L394-D601 VanDerWaalsContact O-O 3.09Å; L394-V602 HydrophobicContact CB-CG1 3.71Å; L394-V602 HydrophobicContact CD1-CG1 3.66Å; L394-V602 HydrophobicContact CG-CG1 4.37Å; L394-I629 HydrophobicContact CD1-CD1 3.67Å
395K89.4Confident86.5Confident138 Ų13875.2 Ų75.260%0.637%0.371SS*.  trans-148.8162.6178.664.8178.1-177.1177.90111.2P392 K397 D601P392-K395 HydrophobicContact CB-CB 4.46Å; P392-K395 HydrophobicContact CG-CB 3.84Å; P392-K395 HydrophobicContact CG-CD 4.28Å; K395-K397 PolarHBondContact O-N 3.46Å; K395-D601 VanDerWaalsContact CA-O 3.31Å; K395-D601 WeakPolarHBondContact CA-O 3.07Å
396P83.9Confident86.2Confident21 Ų2172.6 Ų72.614%0.13636%0.364CS..  trans-52.2137.4169.7-22.929.6000112.6L401 W632P396-L401 HydrophobicContact CB-CD2 3.76Å; P396-L401 HydrophobicContact CB-CG 4.33Å; P396-L401 HydrophobicContact CG-CD1 3.98Å; P396-L401 HydrophobicContact CG-CD2 3.8Å; P396-L401 HydrophobicContact CG-CG 4.24Å; P396-W632 HydrophobicContact CB-CD2 4.17Å; P396-W632 HydrophobicContact CB-CG 4.45Å; P396-W632 HydrophobicContact CB-CZ2 4.42Å; P396-W632 HydrophobicContact CG-CD2 4.25Å; P396-W632 HydrophobicContact CG-CH2 4.09Å; P396-W632 HydrophobicContact CG-CZ2 3.61Å
397K78.4Confident86Confident138 Ų13879.4 Ų79.460%0.639%0.391SS*.SBendtrans-73.4-37.1171.1-66.9-179.9-168.1163.50111.6K395 D631 D633K395-K397 PolarHBondContact O-N 3.46Å; K397-D631 IonicContact NZ-OD1 3.01Å; K397-D633 IonicContact NZ-OD1 3.8Å; K397-D633 IonicContact NZ-OD2 3.69Å; K397-D633 PolarHBondContact NZ-OD2 3.26Å
398C69.4Low86.1Confident76 Ų7678.3 Ų78.351%0.51439%0.386SS..SBendtrans-93.1134.6179.4-163.40000110.7L400C398-L400 PolarHBondContact O-N 3.39Å; C398-L400 PolarHBondContact SG-N 3.48Å
399E69.1Low86.2Confident198 Ų19873.1 Ų73.193%0.92536%0.359SS*.SBendtrans-68-23.7171.6-65.9-18017700112.1L401E399-L401 PolarHBondContact O-N 3.07Å
400L77.1Confident86.3Confident152 Ų15268.7 Ų68.780%0.79634%0.336SS*.  trans-99.283.7-179.5-61.9176.7000110.3C398C398-L400 PolarHBondContact O-N 3.39Å; C398-L400 PolarHBondContact SG-N 3.48Å
401L83.8Confident86.4Confident30 Ų3067.7 Ų67.716%0.15733%0.332CS..  trans-67.2149.7169.2-70.4171.3000111.2P396 E399 L405 W632P396-L401 HydrophobicContact CB-CD2 3.76Å; P396-L401 HydrophobicContact CB-CG 4.33Å; P396-L401 HydrophobicContact CG-CD1 3.98Å; P396-L401 HydrophobicContact CG-CD2 3.8Å; P396-L401 HydrophobicContact CG-CG 4.24Å; E399-L401 PolarHBondContact O-N 3.07Å; L401-L405 WeakPolarHBondContact CD1-O 3.42Å; L401-W632 HydrophobicContact CD2-CE3 3.77Å; L401-W632 HydrophobicContact CD2-CH2 3.93Å; L401-W632 HydrophobicContact CD2-CZ3 3.41Å; L401-W632 VanDerWaalsContact CD2-CZ3 3.41Å
402P86.6Confident86.4Confident41 Ų4165.7 Ų65.727%0.26632%0.32SS..  trans-48.8147164.1-25.234.2000110.8E404 L405 Q406P402-E404 PolarHBondContact O-N 2.84Å; P402-E404 VanDerWaalsContact O-N 3.14Å; P402-L405 HydrophobicContact CB-CG 4.39Å; P402-L405 HydrophobicContact CG-CD1 4.23Å; P402-L405 PolarHBondContact O-N 2.96Å; P402-Q406 PolarHBondContact O-N 2.86Å
403Y87Confident86.5Confident150 Ų15065.8 Ų65.859%0.58832%0.318SS*.G310 helixtrans-52.4-41.2-176.3174.7-105.5000111.7L405 Q406Y403-L405 PolarHBondContact O-N 3.33Å; Y403-Q406 WeakPolarHBondContact O-CG 3.13Å; Y403-Q406 PolarHBondContact O-N 3.48Å
404E89.3Confident86.6Confident60 Ų6064.1 Ų64.128%0.2831%0.309SS..G310 helixtrans-65.8-22.8-178-59.883.8171.400113.5P402 D448 S449P402-E404 PolarHBondContact O-N 2.84Å; P402-E404 VanDerWaalsContact O-N 3.14Å; E404-D448 WeakPolarHBondContact CA-O 3.19Å; E404-D448 WeakPolarHBondContact CB-O 3.18Å; E404-D448 HydrophobicContact CG-CB 4.38Å; E404-D448 WeakPolarHBondContact CG-O 3.41Å; E404-S449 CarbonylContact O-C 3.52Å; E404-S449 WeakPolarHBondContact O-CA 3.36Å
405L90.6Very high86.7Confident0 Ų067.2 Ų67.20%032%0.319CS..G310 helixtrans-110.16.2-174.6-54.9-175.4000112.7L401 P402 Y403 Y407 R469 W632 V635L401-L405 WeakPolarHBondContact CD1-O 3.42Å; P402-L405 HydrophobicContact CB-CG 4.39Å; P402-L405 HydrophobicContact CG-CD1 4.23Å; P402-L405 PolarHBondContact O-N 2.96Å; Y403-L405 PolarHBondContact O-N 3.33Å; L405-Y407 PolarHBondContact O-N 2.85Å; L405-R469 HydrophobicContact CB-CB 4.47Å; L405-R469 WeakPolarHBondContact O-CD 3.3Å; L405-W632 HydrophobicContact CD1-CZ3 4.16Å; L405-V635 HydrophobicContact CD1-CG1 3.25Å
406Q87.3Confident86.6Confident84 Ų8462.8 Ų62.839%0.39330%0.302SS..SBendtrans-61.2-30.4178.5-72.3-175.37.100112.6P402 Y403 R469P402-Q406 PolarHBondContact O-N 2.86Å; Y403-Q406 WeakPolarHBondContact O-CG 3.13Å; Y403-Q406 PolarHBondContact O-N 3.48Å; Q406-R469 PolarHBondContact O-NH1 3.05Å
407Y88.7Confident86.8Confident142 Ų14261.8 Ų61.856%0.55730%0.295SS*.SBendtrans-116.3122.4-178-58.5-74.8000110.6L405L405-Y407 PolarHBondContact O-N 2.85Å
408P93.2Very high87.2Confident14 Ų1455.5 Ų55.59%0.09127%0.269CS..PPolyproline II helixtrans-65.7146.2172.128.9-34.3000110.5P236 H237 R469 C471P236-P408 HydrophobicContact CB-CB 4.17Å; P236-P408 HydrophobicContact CB-CG 4.17Å; P236-P408 HydrophobicContact CG-CB 4.46Å; P236-P408 HydrophobicContact CG-CG 4.39Å; H237-P408 HydrophobicContact CB-CG 4.27Å; P408-R469 WeakPolarHBondContact CA-O 3.46Å; P408-R469 HydrophobicContact CB-CG 4.02Å; P408-C471 HydrophobicContact CB-CB 4.1Å; P408-C471 VanDerWaalsContact CB-SG 3.53Å; P408-C471 HydrophobicContact CG-CB 4.38Å
409L94.7Very high87.9Confident2 Ų253.9 Ų53.91%0.0126%0.256CS..BIsolated β-bridgetrans-97.9153.5173.8-64.8-175.3000111.1Q413 I414 I417 I445 T468 R469L409-Q413 HydrophobicContact CB-CB 4.11Å; L409-I414 HydrophobicContact CB-CD1 4.36Å; L409-I414 HydrophobicContact CB-CG1 3.78Å; L409-I417 HydrophobicContact CD1-CD1 3.92Å; L409-I445 HydrophobicContact CD1-CG2 4Å; L409-I445 HydrophobicContact CD2-CG2 4.2Å; L409-T468 WeakPolarHBondContact CD1-OG1 3.32Å; L409-R469 PolarHBondContact N-O 3.08Å
410T93.6Very high88.4Confident8 Ų846.1 Ų46.15%0.04922%0.221CC..PPolyproline II helixtrans-71.2157.4169.3700000110.7H234 P236 S412 Q413 I414 D531 S533H234-T410 HydrophobicContact CB-CG2 4.09Å; P236-T410 HydrophobicContact CG-CG2 3.82Å; T410-S412 VanDerWaalsContact C-N 3.28Å; T410-S412 PolarHBondContact O-N 2.94Å; T410-Q413 WeakPolarHBondContact O-CB 3.32Å; T410-Q413 PolarHBondContact O-N 3.06Å; T410-Q413 VanDerWaalsContact OG1-CG 3.28Å; T410-Q413 WeakPolarHBondContact OG1-CG 3.34Å; T410-Q413 PolarHBondContact OG1-N 2.92Å; T410-Q413 PolarHBondContact OG1-OE1 2.61Å; T410-I414 WeakPolarHBondContact O-CG1 3.48Å; T410-I414 PolarHBondContact O-N 3.05Å; T410-D531 WeakPolarHBondContact CA-OD2 2.99Å; T410-D531 WeakPolarHBondContact CB-OD2 3.08Å; T410-S533 WeakPolarHBondContact CB-OG 3.45Å
411I93.4Very high88.6Confident1 Ų140.1 Ų40.11%0.00519%0.19CC..Hα-helixtrans-56.3-42.2177.2-74171.5000111.6Q413 I414 R415 L470 A472 L529 D531 S533 G534 N535 L536I411-Q413 PolarHBondContact O-N 3.01Å; I411-I414 PolarHBondContact O-N 2.8Å; I411-R415 WeakPolarHBondContact O-CG 3.35Å; I411-R415 PolarHBondContact O-N 2.75Å; I411-L470 HydrophobicContact CG1-CD1 3.92Å; I411-A472 HydrophobicContact CD1-CB 4.29Å; I411-L529 HydrophobicContact CD1-CB 4.36Å; I411-D531 HydrophobicContact CD1-CB 4.08Å; I411-D531 HydrophobicContact CG1-CB 4.44Å; I411-D531 PolarHBondContact N-OD2 3.05Å; I411-S533 PolarHBondContact N-OG 3.08Å; I411-G534 WeakPolarHBondContact CD1-O 3.31Å; I411-N535 WeakPolarHBondContact CG2-O 3.14Å; I411-L536 HydrophobicContact CD1-CB 3.93Å; I411-L536 HydrophobicContact CG1-CB 4.05Å; I411-L536 HydrophobicContact CG2-CB 3.9Å
412S90.1Very high88.3Confident37 Ų3739.5 Ų39.526%0.25919%0.188SC..Hα-helixtrans-62.9-40.2176179.90000112T410 N416 S533T410-S412 VanDerWaalsContact C-N 3.28Å; T410-S412 PolarHBondContact O-N 2.94Å; S412-N416 PolarHBondContact O-N 2.87Å; S412-N416 PolarHBondContact O-ND2 3.38Å; S412-S533 WeakPolarHBondContact CB-OG 3.28Å; S412-S533 PolarHBondContact N-OG 3.38Å
413Q92.1Very high87.8Confident29 Ų2939.1 Ų39.114%0.13618%0.182CC..Hα-helixtrans-63.4-46.8173.4-71.4171.8-40.300110.9L409 T410 I411 R415 N416 I417 P443 S444 I445L409-Q413 HydrophobicContact CB-CB 4.11Å; T410-Q413 WeakPolarHBondContact O-CB 3.32Å; T410-Q413 PolarHBondContact O-N 3.06Å; T410-Q413 VanDerWaalsContact OG1-CG 3.28Å; T410-Q413 WeakPolarHBondContact OG1-CG 3.34Å; T410-Q413 PolarHBondContact OG1-N 2.92Å; T410-Q413 PolarHBondContact OG1-OE1 2.61Å; I411-Q413 PolarHBondContact O-N 3.01Å; Q413-R415 VanDerWaalsContact C-N 3.35Å; Q413-R415 PolarHBondContact O-N 2.86Å; Q413-N416 PolarHBondContact O-N 3.06Å; Q413-I417 PolarHBondContact O-N 2.87Å; Q413-P443 HydrophobicContact CG-CB 4.07Å; Q413-P443 HydrophobicContact CG-CG 4.06Å; Q413-S444 PolarHBondContact NE2-O 3.46Å; Q413-I445 HydrophobicContact CB-CD1 3.98Å; Q413-I445 HydrophobicContact CB-CG1 4.02Å; Q413-I445 HydrophobicContact CG-CG1 4.07Å; Q413-I445 WeakPolarHBondContact O-CD1 3.15Å
414I93.1Very high87.2Confident0 Ų037.1 Ų37.10%018%0.177CC..Hα-helixtrans-56.8-46.3179-69.6-179.2000111.8L409 T410 I411 N416 I417 T468 L470 I606 F627L409-I414 HydrophobicContact CB-CD1 4.36Å; L409-I414 HydrophobicContact CB-CG1 3.78Å; T410-I414 WeakPolarHBondContact O-CG1 3.48Å; T410-I414 PolarHBondContact O-N 3.05Å; I411-I414 PolarHBondContact O-N 2.8Å; I414-N416 PolarHBondContact O-N 2.9Å; I414-I417 PolarHBondContact O-N 2.98Å; I414-T468 HydrophobicContact CD1-CG2 3.86Å; I414-T468 HydrophobicContact CG1-CG2 3.87Å; I414-T468 HydrophobicContact CG2-CG2 4.42Å; I414-L470 HydrophobicContact CD1-CB 3.84Å; I414-L470 HydrophobicContact CD1-CD1 3.77Å; I414-L470 HydrophobicContact CD1-CD2 4.47Å; I414-L470 HydrophobicContact CD1-CG 4.22Å; I414-I606 HydrophobicContact CG2-CD1 3.7Å; I414-I606 HydrophobicContact CG2-CG1 4.36Å; I414-F627 HydrophobicContact CG2-CD1 4.16Å; I414-F627 HydrophobicContact CG2-CE1 3.82Å
415R90Very high86.5Confident91 Ų9139.7 Ų39.734%0.34319%0.188SC..Hα-helixtrans-60.9-27.8176.6-75.2170.5169-102.31113I411 Q413 P418 N535 L536 D622 F627I411-R415 WeakPolarHBondContact O-CG 3.35Å; I411-R415 PolarHBondContact O-N 2.75Å; Q413-R415 VanDerWaalsContact C-N 3.35Å; Q413-R415 PolarHBondContact O-N 2.86Å; R415-P418 WeakPolarHBondContact O-CD 3.11Å; R415-N535 VanDerWaalsContact CZ-O 3.31Å; R415-N535 PolarHBondContact NE-O 3.34Å; R415-N535 VanDerWaalsContact NE-O 3.11Å; R415-N535 PolarHBondContact NH2-O 3.16Å; R415-L536 HydrophobicContact CG-CD1 4.49Å; R415-D622 IonicContact CZ-OD2 3.67Å; R415-D622 IonicContact NH1-OD2 2.8Å; R415-D622 PolarHBondContact NH1-OD2 3.01Å; R415-F627 HydrophobicContact CG-CZ 4.5Å
416N87Confident85.6Confident44 Ų4442.4 Ų42.424%0.23520%0.199CC..Hα-helixtrans-90.5-8-179.2-77.1-60.4000114.4S412 Q413 I414 P418 V419 I420 P443 I445S412-N416 PolarHBondContact O-N 2.87Å; S412-N416 PolarHBondContact O-ND2 3.38Å; Q413-N416 PolarHBondContact O-N 3.06Å; I414-N416 PolarHBondContact O-N 2.9Å; N416-P418 VanDerWaalsContact C-CD 3.49Å; N416-V419 WeakPolarHBondContact O-CB 3.4Å; N416-V419 PolarHBondContact O-N 2.85Å; N416-V419 VanDerWaalsContact O-N 3.09Å; N416-I420 PolarHBondContact O-N 3.34Å; N416-P443 WeakPolarHBondContact ND2-CD 3.23Å; N416-I445 HydrophobicContact CB-CD1 4.33Å
417I88.7Confident84.7Confident0 Ų044 Ų440%021%0.206CC..Hα-helixtrans-53.7-44.7178.2-68.6169.4000112.8L409 Q413 I414 V419 I420 V421 I445 W450 V466 T468 I606L409-I417 HydrophobicContact CD1-CD1 3.92Å; Q413-I417 PolarHBondContact O-N 2.87Å; I414-I417 PolarHBondContact O-N 2.98Å; I417-V419 VanDerWaalsContact C-N 3.25Å; I417-V419 PolarHBondContact O-N 3.31Å; I417-I420 PolarHBondContact O-N 2.98Å; I417-V421 HydrophobicContact CG2-CG2 3.88Å; I417-V421 WeakPolarHBondContact O-CG2 3.39Å; I417-V421 PolarHBondContact O-N 2.9Å; I417-I445 HydrophobicContact CG1-CD1 3.99Å; I417-W450 HydrophobicContact CD1-CB 4.37Å; I417-W450 HydrophobicContact CG2-CD2 4.28Å; I417-W450 HydrophobicContact CG2-CG 4.25Å; I417-V466 HydrophobicContact CG2-CG2 3.89Å; I417-T468 HydrophobicContact CD1-CG2 4.18Å; I417-I606 HydrophobicContact CB-CD1 4.43Å; I417-I606 HydrophobicContact CD1-CD1 3.6Å
418P86.9Confident84Confident6 Ų644.2 Ų44.24%0.03922%0.216CC..Hα-helixtrans-57.5-36.3178.1-26.836.1000113.5R415 N416 N422 W608 L625R415-P418 WeakPolarHBondContact O-CD 3.11Å; N416-P418 VanDerWaalsContact C-CD 3.49Å; P418-N422 WeakPolarHBondContact O-CB 3.47Å; P418-N422 VanDerWaalsContact O-CG 3.3Å; P418-N422 PolarHBondContact O-N 3.28Å; P418-N422 VanDerWaalsContact O-N 3.17Å; P418-N422 PolarHBondContact O-ND2 2.01Å; P418-W608 HydrophobicContact CB-CD2 3.95Å; P418-W608 HydrophobicContact CB-CE3 4.36Å; P418-W608 HydrophobicContact CB-CG 4.35Å; P418-W608 HydrophobicContact CB-CZ2 4.1Å; P418-W608 HydrophobicContact CG-CD2 4.02Å; P418-W608 HydrophobicContact CG-CE3 3.96Å; P418-W608 HydrophobicContact CG-CH2 4.47Å; P418-W608 HydrophobicContact CG-CZ3 4.2Å; P418-L625 HydrophobicContact CB-CD2 4.29Å; P418-L625 HydrophobicContact CG-CD1 4.29Å; P418-L625 HydrophobicContact CG-CD2 3.66Å
419V82.5Confident82.8Confident42 Ų4246.5 Ų46.526%0.25523%0.233SC..Hα-helixtrans-63.5-49.9177.7179.90000109.7N416 I417 V421 N422 E423 P614N416-V419 WeakPolarHBondContact O-CB 3.4Å; N416-V419 PolarHBondContact O-N 2.85Å; N416-V419 VanDerWaalsContact O-N 3.09Å; I417-V419 VanDerWaalsContact C-N 3.25Å; I417-V419 PolarHBondContact O-N 3.31Å; V419-V421 PolarHBondContact O-N 2.82Å; V419-N422 PolarHBondContact O-N 2.85Å; V419-E423 WeakPolarHBondContact O-CG 3.21Å; V419-E423 PolarHBondContact O-N 3.48Å; V419-P614 HydrophobicContact CG2-CB 4.27Å
420I80.3Confident81.2Confident36 Ų3652.4 Ų52.419%0.18526%0.264CS..Hα-helixtrans-65.5-41.9-178-58-173.2000112.2N416 I417 N422 E423 K424 I445 W450N416-I420 PolarHBondContact O-N 3.34Å; I417-I420 PolarHBondContact O-N 2.98Å; I420-N422 VanDerWaalsContact C-N 3.3Å; I420-N422 PolarHBondContact O-N 3.02Å; I420-E423 PolarHBondContact O-N 3.02Å; I420-K424 PolarHBondContact O-N 3.03Å; I420-I445 HydrophobicContact CD1-CB 3.75Å; I420-I445 HydrophobicContact CD1-CD1 3.41Å; I420-I445 VanDerWaalsContact CD1-CD1 3.41Å; I420-I445 HydrophobicContact CD1-CG1 3.5Å; I420-I445 HydrophobicContact CG1-CD1 4.47Å; I420-W450 HydrophobicContact CB-CH2 4.47Å; I420-W450 HydrophobicContact CG2-CH2 3.64Å; I420-W450 HydrophobicContact CG2-CZ2 4.19Å
421V81.3Confident79.4Confident25 Ų2558.5 Ų58.515%0.15229%0.286CS..Hα-helixtrans-60.9-42.8177.7171.20000110.6I417 V419 K424 Q425 W450 W608I417-V421 HydrophobicContact CG2-CG2 3.88Å; I417-V421 WeakPolarHBondContact O-CG2 3.39Å; I417-V421 PolarHBondContact O-N 2.9Å; V419-V421 PolarHBondContact O-N 2.82Å; V421-K424 PolarHBondContact O-N 3.1Å; V421-Q425 WeakPolarHBondContact O-CB 3.42Å; V421-Q425 PolarHBondContact O-N 3.47Å; V421-W450 HydrophobicContact CG2-CZ2 4.15Å; V421-W608 HydrophobicContact CB-CH2 4.26Å; V421-W608 HydrophobicContact CB-CZ2 3.94Å; V421-W608 HydrophobicContact CG1-CH2 4.31Å; V421-W608 HydrophobicContact CG1-CZ2 3.87Å; V421-W608 HydrophobicContact CG2-CH2 4.17Å; V421-W608 HydrophobicContact CG2-CZ2 4.36Å
422N77.6Confident77.6Confident18 Ų1861.2 Ų61.210%0.09630%0.301CS..Hα-helixtrans-70.9-32.6178.5-73-47.8000113.1P418 V419 I420 R426 P614P418-N422 WeakPolarHBondContact O-CB 3.47Å; P418-N422 VanDerWaalsContact O-CG 3.3Å; P418-N422 PolarHBondContact O-N 3.28Å; P418-N422 VanDerWaalsContact O-N 3.17Å; P418-N422 PolarHBondContact O-ND2 2.01Å; V419-N422 PolarHBondContact O-N 2.85Å; I420-N422 VanDerWaalsContact C-N 3.3Å; I420-N422 PolarHBondContact O-N 3.02Å; N422-R426 PolarHBondContact O-N 3.36Å; N422-P614 WeakPolarHBondContact ND2-CD 3.23Å; N422-P614 WeakPolarHBondContact ND2-CG 3.41Å
423E75.6Confident76.1Confident33 Ų3366.8 Ų66.815%0.15433%0.327CS..Hα-helixtrans-63.1-49.6171-75.7177.1-178.600111.7V419 I420 Q425 R426 Q427 I437 T439V419-E423 WeakPolarHBondContact O-CG 3.21Å; V419-E423 PolarHBondContact O-N 3.48Å; I420-E423 PolarHBondContact O-N 3.02Å; E423-Q425 VanDerWaalsContact C-N 3.26Å; E423-Q425 PolarHBondContact O-N 3.08Å; E423-R426 PolarHBondContact O-N 3.35Å; E423-R426 VanDerWaalsContact O-N 3.1Å; E423-Q427 PolarHBondContact O-N 3.07Å; E423-I437 HydrophobicContact CG-CD1 3.56Å; E423-T439 WeakPolarHBondContact OE1-CG2 3.38Å
424K76Confident74.4Confident108 Ų10871 Ų7147%0.4735%0.349SS..Hα-helixtrans-59.4-39177.2-168.9173.5-177.3176.60111.5I420 V421 L428I420-K424 PolarHBondContact O-N 3.03Å; V421-K424 PolarHBondContact O-N 3.1Å; K424-L428 WeakPolarHBondContact O-CG 2.9Å; K424-L428 PolarHBondContact O-N 3.11Å
425Q74.6Confident72.8Confident113 Ų11378.4 Ų78.453%0.52838%0.379SS..Hα-helixtrans-68.2-36.6176.3-169.4171.65.500112.9V421 E423 S429V421-Q425 WeakPolarHBondContact O-CB 3.42Å; V421-Q425 PolarHBondContact O-N 3.47Å; E423-Q425 VanDerWaalsContact C-N 3.26Å; E423-Q425 PolarHBondContact O-N 3.08Å; Q425-S429 PolarHBondContact O-N 3.38Å; Q425-S429 PolarHBondContact O-OG 2.86Å
426R69.8Low71.1Confident58 Ų5879.5 Ų79.522%0.21940%0.397CS..Hα-helixtrans-68.4-42.2174.9-86-173.9-77.8-174.5-8.7112.8N422 E423 L428 S429 D430 W431 I437 P614N422-R426 PolarHBondContact O-N 3.36Å; E423-R426 PolarHBondContact O-N 3.35Å; E423-R426 VanDerWaalsContact O-N 3.1Å; R426-L428 VanDerWaalsContact C-N 3.28Å; R426-L428 PolarHBondContact O-N 2.95Å; R426-S429 WeakPolarHBondContact CA-OG 3.27Å; R426-S429 CarbonylContact O-C 3.44Å; R426-S429 PolarHBondContact O-N 3.23Å; R426-S429 PolarHBondContact O-OG 3.26Å; R426-S429 VanDerWaalsContact O-OG 3.14Å; R426-D430 PolarHBondContact O-N 3.28Å; R426-W431 HydrophobicContact CB-CB 4.32Å; R426-W431 HydrophobicContact CG-CB 4.25Å; R426-W431 PolarHBondContact O-N 3.44Å; R426-I437 VanDerWaalsContact NH2-CD1 3.33Å; R426-P614 PolarHBondContact NH2-O 3.24Å; R426-P614 VanDerWaalsContact NH2-O 3.12Å
427Q70.2Confident69.6Low118 Ų11879.9 Ų79.955%0.55140%0.399SS*.Hα-helixtrans-56.7-42.4173.8-79.81737.700112E423 S429 D432E423-Q427 PolarHBondContact O-N 3.07Å; Q427-S429 PolarHBondContact O-N 3.49Å; Q427-D432 WeakPolarHBondContact CG-OD2 3.42Å
428L72.2Confident67.8Low146 Ų14689 Ų8976%0.76444%0.441SS*.THydrogen-bonded Turntrans-70-15.4177.7-71.6170.4000114K424 R426K424-L428 WeakPolarHBondContact O-CG 2.9Å; K424-L428 PolarHBondContact O-N 3.11Å; R426-L428 VanDerWaalsContact C-N 3.28Å; R426-L428 PolarHBondContact O-N 2.95Å
429S67.9Low66.2Low62 Ų6292.7 Ų92.743%0.43446%0.464SS..THydrogen-bonded Turntrans-111.518-176.248.40000113.8Q425 R426 Q427 W431Q425-S429 PolarHBondContact O-N 3.38Å; Q425-S429 PolarHBondContact O-OG 2.86Å; R426-S429 WeakPolarHBondContact CA-OG 3.27Å; R426-S429 CarbonylContact O-C 3.44Å; R426-S429 PolarHBondContact O-N 3.23Å; R426-S429 PolarHBondContact O-OG 3.26Å; R426-S429 VanDerWaalsContact O-OG 3.14Å; Q427-S429 PolarHBondContact O-N 3.49Å; S429-W431 PolarHBondContact O-N 3.47Å; S429-W431 VanDerWaalsContact O-N 3.1Å; S429-W431 VanDerWaalsContact OG-CD1 3.32Å
430D63.1Low64.8Low125 Ų12598.1 Ų98.167%0.66849%0.487SS*.THydrogen-bonded Turntrans57.814.5179-73.6-27.2000115.4R426 D432R426-D430 PolarHBondContact O-N 3.28Å; D430-D432 VanDerWaalsContact C-N 3.35Å; D430-D432 PolarHBondContact O-N 3.43Å
431W55.5Low63.6Low136 Ų136104.2 Ų104.252%0.51551%0.512SS..G310 helixtrans-72-24-178.9-8392000114.3R426 S429 L433 L434 Y435R426-W431 HydrophobicContact CB-CB 4.32Å; R426-W431 HydrophobicContact CG-CB 4.25Å; R426-W431 PolarHBondContact O-N 3.44Å; S429-W431 PolarHBondContact O-N 3.47Å; S429-W431 VanDerWaalsContact O-N 3.1Å; S429-W431 VanDerWaalsContact OG-CD1 3.32Å; W431-L433 PolarHBondContact O-N 3.49Å; W431-L433 VanDerWaalsContact O-N 3.12Å; W431-L434 HydrophobicContact CE3-CD1 4.19Å; W431-L434 HydrophobicContact CZ3-CD1 4.3Å; W431-L434 PolarHBondContact O-N 3.43Å; W431-Y435 HydrophobicContact CE3-CD2 4.08Å; W431-Y435 HydrophobicContact CE3-CE2 4.12Å; W431-Y435 HydrophobicContact CZ3-CD2 4.33Å; W431-Y435 AromaticContact CZ3-CE2 3.9Å; W431-Y435 HydrophobicContact CZ3-CE2 3.9Å; W431-Y435 PolarHBondContact O-N 3.48Å
432D54.6Low62.6Low59 Ų59105.3 Ų105.332%0.31652%0.524SS..G310 helixtrans-60.3-24.3-178.9-81.411.3000112.8Q427 D430 L434Q427-D432 WeakPolarHBondContact CG-OD2 3.42Å; D430-D432 VanDerWaalsContact C-N 3.35Å; D430-D432 PolarHBondContact O-N 3.43Å; D432-L434 VanDerWaalsContact C-N 3.26Å; D432-L434 PolarHBondContact O-N 2.88Å
433L58.1Low61.9Low153 Ų153106.2 Ų106.280%0.80153%0.531SS*.G310 helixtrans-69-22.7175-65.7176.6000113.3W431W431-L433 PolarHBondContact O-N 3.49Å; W431-L433 VanDerWaalsContact O-N 3.12Å
434L56.5Low61.8Low117 Ų117109.5 Ų109.561%0.61356%0.557SS**THydrogen-bonded Turntrans-100.8-30.7-174.9-67.7169000113W431 D432W431-L434 HydrophobicContact CE3-CD1 4.19Å; W431-L434 HydrophobicContact CZ3-CD1 4.3Å; W431-L434 PolarHBondContact O-N 3.43Å; D432-L434 VanDerWaalsContact C-N 3.26Å; D432-L434 PolarHBondContact O-N 2.88Å
435Y59.3Low61.7Low156 Ų156105.3 Ų105.361%0.61254%0.54SS*.  trans-144.589.8-177.3-57.6-83.8000111.9W431 I437W431-Y435 HydrophobicContact CE3-CD2 4.08Å; W431-Y435 HydrophobicContact CE3-CE2 4.12Å; W431-Y435 HydrophobicContact CZ3-CD2 4.33Å; W431-Y435 AromaticContact CZ3-CE2 3.9Å; W431-Y435 HydrophobicContact CZ3-CE2 3.9Å; W431-Y435 PolarHBondContact O-N 3.48Å; Y435-I437 PolarHBondContact O-N 3.45Å
436P55.3Low61.8Low114 Ų114102.9 Ų102.974%0.7453%0.534SS*.  trans-60.4128.4173.3-18.529.8000110.6
437I55.1Low61.8Low53 Ų53105.2 Ų105.227%0.27256%0.556SS.*  trans-77128.8176.9-56.2167.5000108.2E423 R426 Y435 T439E423-I437 HydrophobicContact CG-CD1 3.56Å; R426-I437 VanDerWaalsContact NH2-CD1 3.33Å; Y435-I437 PolarHBondContact O-N 3.45Å; I437-T439 VanDerWaalsContact C-N 3.27Å; I437-T439 HydrophobicContact CB-CG2 4.33Å; I437-T439 HydrophobicContact CG2-CG2 3.66Å; I437-T439 PolarHBondContact O-N 2.54Å; I437-T439 VanDerWaalsContact O-N 3.14Å
438Q52.1Low62.2Low190 Ų190103.3 Ų103.389%0.88855%0.55SS**  trans-77.886.6158.6-69.5-178.9-10.800106.5E440Q438-E440 PolarHBondContact O-N 3.29Å; Q438-E440 VanDerWaalsContact O-N 3.1Å
439T52Low62.9Low84 Ų8496.7 Ų96.752%0.51552%0.516SS..  trans-70.2108.4170.443.20000107.2E423 I437E423-T439 WeakPolarHBondContact OE1-CG2 3.38Å; I437-T439 VanDerWaalsContact C-N 3.27Å; I437-T439 HydrophobicContact CB-CG2 4.33Å; I437-T439 HydrophobicContact CG2-CG2 3.66Å; I437-T439 PolarHBondContact O-N 2.54Å; I437-T439 VanDerWaalsContact O-N 3.14Å
440E54.1Low64Low156 Ų15695.1 Ų95.173%0.72950%0.501SS*.  trans-52.5150154.4-67.9-178.5172.200108.1Q438 A442Q438-E440 PolarHBondContact O-N 3.29Å; Q438-E440 VanDerWaalsContact O-N 3.1Å; E440-A442 VanDerWaalsContact C-N 3.29Å; E440-A442 PolarHBondContact O-N 3.2Å
441F53.9Low65.3Low165 Ų16591.5 Ų91.572%0.72448%0.481SS*.  trans-50.888.8-176.7-73-95.4000111.5
442A60.8Low66.8Low47 Ų4789 Ų8939%0.38848%0.481SS..  trans-73134.6170.700000107E440 S444E440-A442 VanDerWaalsContact C-N 3.29Å; E440-A442 PolarHBondContact O-N 3.2Å; A442-S444 PolarHBondContact O-N 2.91Å
443P64Low68.3Low38 Ų3887.2 Ų87.225%0.24747%0.473CS..  trans-56.4138.3172.925.6-33.2000108.4Q413 N416 I445Q413-P443 HydrophobicContact CG-CB 4.07Å; Q413-P443 HydrophobicContact CG-CG 4.06Å; N416-P443 WeakPolarHBondContact ND2-CD 3.23Å; P443-I445 PolarHBondContact O-N 2.84Å
444S71.8Confident69.3Low101 Ų10185.6 Ų85.671%0.70647%0.47SS*.  trans-60.4110.3177.259.10000109.1Q413 A442Q413-S444 PolarHBondContact NE2-O 3.46Å; A442-S444 PolarHBondContact O-N 2.91Å
445I75.4Confident70.4Confident20 Ų2087 Ų8710%0.10348%0.477CS..PPolyproline II helixtrans-90.1126.1169.1-51.1-166.3000106.7L409 Q413 N416 I417 I420 P443 W450L409-I445 HydrophobicContact CD1-CG2 4Å; L409-I445 HydrophobicContact CD2-CG2 4.2Å; Q413-I445 HydrophobicContact CB-CD1 3.98Å; Q413-I445 HydrophobicContact CB-CG1 4.02Å; Q413-I445 HydrophobicContact CG-CG1 4.07Å; Q413-I445 WeakPolarHBondContact O-CD1 3.15Å; N416-I445 HydrophobicContact CB-CD1 4.33Å; I417-I445 HydrophobicContact CG1-CD1 3.99Å; I420-I445 HydrophobicContact CD1-CB 3.75Å; I420-I445 HydrophobicContact CD1-CD1 3.41Å; I420-I445 VanDerWaalsContact CD1-CD1 3.41Å; I420-I445 HydrophobicContact CD1-CG1 3.5Å; I420-I445 HydrophobicContact CG1-CD1 4.47Å; P443-I445 PolarHBondContact O-N 2.84Å; I445-W450 HydrophobicContact CB-CZ3 4.41Å; I445-W450 HydrophobicContact CG2-CE3 4.04Å; I445-W450 HydrophobicContact CG2-CZ3 3.71Å
446P75.5Confident71.3Confident62 Ų6281.7 Ų81.740%0.40346%0.459SS..PPolyproline II helixtrans-58.4138.5176.3-12.122.3000109.7D448 S449P446-D448 PolarHBondContact O-N 3.16Å; P446-S449 WeakPolarHBondContact CB-OG 3.24Å; P446-S449 WeakPolarHBondContact CD-OG 3.35Å; P446-S449 WeakPolarHBondContact CG-OG 3.3Å; P446-S449 WeakPolarHBondContact O-CB 3.29Å; P446-S449 PolarHBondContact O-N 2.62Å; P446-S449 PolarHBondContact O-OG 2.64Å
447P71Confident72.5Confident107 Ų10781.9 Ų81.970%0.69545%0.454SS*.THydrogen-bonded Turntrans-51140.6173.7-24.533.3000110.3S449P447-S449 VanDerWaalsContact C-N 3.26Å; P447-S449 PolarHBondContact O-N 3.03Å
448D77.8Confident73.5Confident79 Ų7987 Ų8742%0.42248%0.48SS..THydrogen-bonded Turntrans63.426.1175.9-43.7-47.4000114.1E404 P446 W450E404-D448 WeakPolarHBondContact CA-O 3.19Å; E404-D448 WeakPolarHBondContact CB-O 3.18Å; E404-D448 HydrophobicContact CG-CB 4.38Å; E404-D448 WeakPolarHBondContact CG-O 3.41Å; P446-D448 PolarHBondContact O-N 3.16Å; D448-W450 PolarHBondContact O-N 2.79Å
449S87.5Confident74.7Confident7 Ų781.8 Ų81.85%0.04947%0.465CS..  trans-82.615.3174.3-52.20000114.2E404 P446 P447 T468E404-S449 CarbonylContact O-C 3.52Å; E404-S449 WeakPolarHBondContact O-CA 3.36Å; P446-S449 WeakPolarHBondContact CB-OG 3.24Å; P446-S449 WeakPolarHBondContact CD-OG 3.35Å; P446-S449 WeakPolarHBondContact CG-OG 3.3Å; P446-S449 WeakPolarHBondContact O-CB 3.29Å; P446-S449 PolarHBondContact O-N 2.62Å; P446-S449 PolarHBondContact O-OG 2.64Å; P447-S449 VanDerWaalsContact C-N 3.26Å; P447-S449 PolarHBondContact O-N 3.03Å; S449-T468 PolarHBondContact O-OG1 2.79Å
450W90.4Very high76.1Confident28 Ų2880.1 Ų80.111%0.10645%0.451CS..SBendtrans-149.1147.7177.965.788.1000109.8I417 I420 V421 I445 D448 Y467I417-W450 HydrophobicContact CD1-CB 4.37Å; I417-W450 HydrophobicContact CG2-CD2 4.28Å; I417-W450 HydrophobicContact CG2-CG 4.25Å; I420-W450 HydrophobicContact CB-CH2 4.47Å; I420-W450 HydrophobicContact CG2-CH2 3.64Å; I420-W450 HydrophobicContact CG2-CZ2 4.19Å; V421-W450 HydrophobicContact CG2-CZ2 4.15Å; I445-W450 HydrophobicContact CB-CZ3 4.41Å; I445-W450 HydrophobicContact CG2-CE3 4.04Å; I445-W450 HydrophobicContact CG2-CZ3 3.71Å; D448-W450 PolarHBondContact O-N 2.79Å; W450-Y467 CarbonylContact C-O 3.6Å; W450-Y467 VanDerWaalsContact CA-O 3.22Å; W450-Y467 WeakPolarHBondContact CA-O 3.23Å; W450-Y467 WeakPolarHBondContact CB-O 3.45Å
451L90.6Very high77.4Confident49 Ų4976 Ų7626%0.25744%0.439SS..EExtended strand (participates in β ladder)trans-103.4124.2179.1-179.966.8000109.5V466 Y467 V635L451-V466 CarbonylContact O-C 3.54Å; L451-V466 WeakPolarHBondContact O-CA 3.46Å; L451-Y467 PolarHBondContact N-O 2.96Å; L451-Y467 PolarHBondContact O-N 3.46Å; L451-V635 HydrophobicContact CD2-CG1 4.29Å
452T88Confident78.8Confident83 Ų8374.9 Ų74.951%0.50943%0.431SS..EExtended strand (participates in β ladder)trans-76.5130.9174-58.90000110.5T454T452-T454 PolarHBondContact O-N 2.92Å
453C85.4Confident80.1Confident22 Ų2273.5 Ų73.515%0.14942%0.418CS..  trans-76.8114.7173.2-1740000109.6L456 V465 Y467C453-L456 HydrophobicContact CB-CD2 4.25Å; C453-V465 HydrophobicContact CB-CB 3.86Å; C453-V465 HydrophobicContact CB-CG1 3.66Å; C453-V465 WeakPolarHBondContact CB-O 3.27Å; C453-V465 PolarHBondContact N-O 2.83Å; C453-Y467 HydrophobicContact CB-CD2 4.28Å; C453-Y467 HydrophobicContact CB-CE2 3.58Å
454T78.6Confident81.2Confident120 Ų12072.8 Ų72.874%0.73641%0.412SS*.  trans-89.9-26.4176.753.80000112.9T452 L456T452-T454 PolarHBondContact O-N 2.92Å; T454-L456 PolarHBondContact O-N 3.08Å
455D79.5Confident82.2Confident145 Ų14568.1 Ų68.178%0.77538%0.379SS*.  trans-9954.5-167.6-62.6-5.4000111.3
456L79.3Confident83Confident45 Ų4567.3 Ų67.324%0.23638%0.375CS..  trans-77.9140.6-179.9-67.7173.1000112C453 T454 E460 V465C453-L456 HydrophobicContact CB-CD2 4.25Å; T454-L456 PolarHBondContact O-N 3.08Å; L456-E460 HydrophobicContact CB-CB 4.31Å; L456-E460 HydrophobicContact CD2-CB 4.2Å; L456-E460 WeakPolarHBondContact CD2-OE2 3.23Å; L456-V465 HydrophobicContact CD1-CB 4.22Å; L456-V465 HydrophobicContact CD1-CG2 3.94Å; L456-V465 HydrophobicContact CD2-CB 3.77Å; L456-V465 HydrophobicContact CD2-CG1 4.16Å; L456-V465 HydrophobicContact CD2-CG2 3.51Å; L456-V465 HydrophobicContact CG-CG2 4.38Å
457L79.9Confident83.8Confident118 Ų11865.6 Ų65.662%0.61836%0.36SS*.  trans-58.1151.2167.6-67.5172000110.1S459 E460 S461L457-S459 PolarHBondContact O-N 2.84Å; L457-S459 VanDerWaalsContact O-N 3.12Å; L457-E460 WeakPolarHBondContact O-CA 3.48Å; L457-E460 PolarHBondContact O-N 2.63Å; L457-S461 PolarHBondContact O-N 3.45Å
458I76.3Confident85Confident160 Ų16060.5 Ų60.582%0.82133%0.327SS*.G310 helixtrans-54.8-36.2177-62.4172.2000110.8E460 S461I458-E460 VanDerWaalsContact C-N 3.27Å; I458-E460 PolarHBondContact O-N 3.42Å; I458-S461 VanDerWaalsContact O-CB 3.31Å; I458-S461 WeakPolarHBondContact O-CB 3.27Å; I458-S461 PolarHBondContact O-N 2.78Å; I458-S461 PolarHBondContact O-OG 3.08Å
459S76.6Confident85.8Confident82 Ų8258.2 Ų58.257%0.57331%0.313SS*.G310 helixtrans-63.2-27.7175.3540000113.6L457 Y462L457-S459 PolarHBondContact O-N 2.84Å; L457-S459 VanDerWaalsContact O-N 3.12Å; S459-Y462 WeakPolarHBondContact O-CD1 3.48Å; S459-Y462 WeakPolarHBondContact O-CE1 3.39Å
460E81.1Confident86.2Confident49 Ų4957.9 Ų57.923%0.22931%0.31CS..G310 helixtrans-973.5-179.7-63.2-171.2177.100112.6L456 L457 I458 Y462 L463 K605L456-E460 HydrophobicContact CB-CB 4.31Å; L456-E460 HydrophobicContact CD2-CB 4.2Å; L456-E460 WeakPolarHBondContact CD2-OE2 3.23Å; L457-E460 WeakPolarHBondContact O-CA 3.48Å; L457-E460 PolarHBondContact O-N 2.63Å; I458-E460 VanDerWaalsContact C-N 3.27Å; I458-E460 PolarHBondContact O-N 3.42Å; E460-Y462 PolarHBondContact O-N 3.34Å; E460-L463 HydrophobicContact CB-CD1 4.33Å; E460-L463 HydrophobicContact CG-CD1 4.43Å; E460-L463 WeakPolarHBondContact O-CB 3.33Å; E460-L463 PolarHBondContact O-N 3.34Å; E460-K605 IonicContact OE1-NZ 2.94Å; E460-K605 PolarHBondContact OE1-NZ 3.38Å; E460-K605 IonicContact OE2-NZ 3.35Å; E460-K605 PolarHBondContact OE2-NZ 3.36Å
461S81.7Confident86.4Confident69 Ų6956.5 Ų56.548%0.48331%0.305SS..THydrogen-bonded Turntrans-59.2-22.9-174.659.70000114.7L457 I458 L463 K610L457-S461 PolarHBondContact O-N 3.45Å; I458-S461 VanDerWaalsContact O-CB 3.31Å; I458-S461 WeakPolarHBondContact O-CB 3.27Å; I458-S461 PolarHBondContact O-N 2.78Å; I458-S461 PolarHBondContact O-OG 3.08Å; S461-L463 VanDerWaalsContact C-N 3.31Å; S461-K610 PolarHBondContact O-NZ 3.48Å
462Y83.2Confident86.6Confident141 Ų14154.2 Ų54.255%0.55329%0.293SS*.THydrogen-bonded Turntrans-81.5-6.617667.5-94.7000113.8S459 E460 K610S459-Y462 WeakPolarHBondContact O-CD1 3.48Å; S459-Y462 WeakPolarHBondContact O-CE1 3.39Å; E460-Y462 PolarHBondContact O-N 3.34Å; Y462-K610 VanDerWaalsContact O-CB 3.32Å; Y462-K610 WeakPolarHBondContact O-CB 3.25Å; Y462-K610 WeakPolarHBondContact O-CG 3.24Å; Y462-K610 PolarHBondContact O-N 3.44Å
463L88.3Confident86.8Confident19 Ų1950.5 Ų50.510%0.09927%0.27CS..EExtended strand (participates in β ladder)trans-98.6149.2179.9-61.6173.4000111.2E460 S461 V465 W608 K610E460-L463 HydrophobicContact CB-CD1 4.33Å; E460-L463 HydrophobicContact CG-CD1 4.43Å; E460-L463 WeakPolarHBondContact O-CB 3.33Å; E460-L463 PolarHBondContact O-N 3.34Å; S461-L463 VanDerWaalsContact C-N 3.31Å; L463-V465 HydrophobicContact CB-CG2 4.02Å; L463-W608 CarbonylContact C-O 3.37Å; L463-W608 VanDerWaalsContact CA-O 3.31Å; L463-W608 WeakPolarHBondContact CA-O 3.35Å; L463-K610 WeakPolarHBondContact O-CE 3.42Å; L463-K610 PolarHBondContact O-NZ 3.35Å
464N88.2Confident87.1Confident23 Ų2349.4 Ų49.412%0.12326%0.263CS..EExtended strand (participates in β ladder)trans-88.4136.8154.4-69.3-45.6000107.7S607 W608 K610N464-S607 VanDerWaalsContact O-CA 3.23Å; N464-S607 WeakPolarHBondContact O-CA 3.4Å; N464-W608 HydrophobicContact CB-CD2 3.68Å; N464-W608 HydrophobicContact CB-CE3 4.12Å; N464-W608 HydrophobicContact CB-CG 4.24Å; N464-W608 HydrophobicContact CB-CH2 3.88Å; N464-W608 HydrophobicContact CB-CZ2 3.41Å; N464-W608 VanDerWaalsContact CB-CZ2 3.41Å; N464-W608 HydrophobicContact CB-CZ3 4.21Å; N464-W608 PolarHBondContact N-O 2.68Å; N464-W608 PolarHBondContact ND2-NE1 3.28Å; N464-W608 PolarHBondContact O-N 2.95Å; N464-K610 WeakPolarHBondContact OD1-CE 3.47Å; N464-K610 WeakPolarHBondContact OD1-CG 3.34Å
465V91.6Very high87.5Confident3 Ų344.4 Ų44.42%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-138.1128.4-178.3-179.50000109.4C453 L456 L463 K605 I606C453-V465 HydrophobicContact CB-CB 3.86Å; C453-V465 HydrophobicContact CB-CG1 3.66Å; C453-V465 WeakPolarHBondContact CB-O 3.27Å; C453-V465 PolarHBondContact N-O 2.83Å; L456-V465 HydrophobicContact CD1-CB 4.22Å; L456-V465 HydrophobicContact CD1-CG2 3.94Å; L456-V465 HydrophobicContact CD2-CB 3.77Å; L456-V465 HydrophobicContact CD2-CG1 4.16Å; L456-V465 HydrophobicContact CD2-CG2 3.51Å; L456-V465 HydrophobicContact CG-CG2 4.38Å; L463-V465 HydrophobicContact CB-CG2 4.02Å; V465-K605 HydrophobicContact CG1-CD 4.18Å; V465-K605 HydrophobicContact CG1-CG 3.79Å; V465-I606 WeakPolarHBondContact CA-O 3.23Å
466V91.9Very high88Confident2 Ų240.9 Ų40.91%0.01221%0.213CC..EExtended strand (participates in β ladder)trans-136.2155.7176.4-55.10000110.4I417 L451 I606 W608I417-V466 HydrophobicContact CG2-CG2 3.89Å; L451-V466 CarbonylContact O-C 3.54Å; L451-V466 WeakPolarHBondContact O-CA 3.46Å; V466-I606 HydrophobicContact CG2-CB 3.87Å; V466-I606 HydrophobicContact CG2-CD1 3.96Å; V466-I606 HydrophobicContact CG2-CG1 4.23Å; V466-I606 PolarHBondContact N-O 3.09Å; V466-I606 PolarHBondContact O-N 3.44Å; V466-W608 HydrophobicContact CG1-CH2 3.9Å; V466-W608 HydrophobicContact CG1-CZ3 4.25Å; V466-W608 HydrophobicContact CG2-CH2 4.18Å; V466-W608 HydrophobicContact CG2-CZ3 3.87Å
467Y93.8Very high88.5Confident27 Ų2739.1 Ų39.111%0.10620%0.204CC..EExtended strand (participates in β ladder)trans-111.1141.2172.2-58.1-79.5000110.1W450 L451 C453 V604 K605 N630 V635W450-Y467 CarbonylContact C-O 3.6Å; W450-Y467 VanDerWaalsContact CA-O 3.22Å; W450-Y467 WeakPolarHBondContact CA-O 3.23Å; W450-Y467 WeakPolarHBondContact CB-O 3.45Å; L451-Y467 PolarHBondContact N-O 2.96Å; L451-Y467 PolarHBondContact O-N 3.46Å; C453-Y467 HydrophobicContact CB-CD2 4.28Å; C453-Y467 HydrophobicContact CB-CE2 3.58Å; Y467-V604 WeakPolarHBondContact CA-O 3.42Å; Y467-K605 HydrophobicContact CD1-CB 3.95Å; Y467-K605 HydrophobicContact CD1-CG 4.32Å; Y467-K605 HydrophobicContact CE1-CB 3.69Å; Y467-K605 HydrophobicContact CE1-CD 4.28Å; Y467-K605 HydrophobicContact CE1-CG 3.75Å; Y467-N630 HydrophobicContact CD1-CB 4.27Å; Y467-N630 HydrophobicContact CE1-CB 4.09Å; Y467-N630 VanDerWaalsContact CE1-ND2 3.29Å; Y467-N630 WeakPolarHBondContact CE1-ND2 3.32Å; Y467-V635 HydrophobicContact CD1-CG2 4.2Å; Y467-V635 HydrophobicContact CG-CG2 4.49Å
468T94.5Very high89Confident0 Ų035.1 Ų35.10%019%0.188CC..EExtended strand (participates in β ladder)trans-141.3168.1171.7-175.10000109.6L409 I414 I417 S449 A603 V604 I606L409-T468 WeakPolarHBondContact CD1-OG1 3.32Å; I414-T468 HydrophobicContact CD1-CG2 3.86Å; I414-T468 HydrophobicContact CG1-CG2 3.87Å; I414-T468 HydrophobicContact CG2-CG2 4.42Å; I417-T468 HydrophobicContact CD1-CG2 4.18Å; S449-T468 PolarHBondContact O-OG1 2.79Å; T468-A603 CarbonylContact O-C 3.56Å; T468-A603 WeakPolarHBondContact O-CA 3.48Å; T468-V604 HydrophobicContact CG2-CB 4.14Å; T468-V604 PolarHBondContact N-O 2.75Å; T468-V604 PolarHBondContact O-N 3.14Å; T468-I606 HydrophobicContact CG2-CD1 3.83Å; T468-I606 HydrophobicContact CG2-CG1 4.37Å
469R94.8Very high89.7Confident30 Ų3027.5 Ų27.511%0.11315%0.149CC..EExtended strand (participates in β ladder)trans-99.8135.1173.1-176.7177.9175.7-167.12.1110.6L405 Q406 P408 L409 D601 V602 W632L405-R469 HydrophobicContact CB-CB 4.47Å; L405-R469 WeakPolarHBondContact O-CD 3.3Å; Q406-R469 PolarHBondContact O-NH1 3.05Å; P408-R469 WeakPolarHBondContact CA-O 3.46Å; P408-R469 HydrophobicContact CB-CG 4.02Å; L409-R469 PolarHBondContact N-O 3.08Å; R469-D601 IonicContact CZ-OD1 2.86Å; R469-D601 IonicContact CZ-OD2 3.85Å; R469-D601 IonicContact NE-OD1 3.88Å; R469-D601 PolarHBondContact NE-OD1 3.36Å; R469-D601 IonicContact NE-OD2 3.81Å; R469-D601 IonicContact NH2-OD1 2.65Å; R469-D601 PolarHBondContact NH2-OD1 2.66Å; R469-D601 IonicContact NH2-OD2 2.76Å; R469-D601 PolarHBondContact NH2-OD2 2.74Å; R469-V602 WeakPolarHBondContact CA-O 3.46Å; R469-W632 HydrophobicContact CB-CH2 4.19Å; R469-W632 HydrophobicContact CG-CH2 3.85Å; R469-W632 HydrophobicContact CG-CZ2 4.31Å
470L95.5Very high90.1Very high0 Ų026.4 Ų26.40%014%0.136CC..EExtended strand (participates in β ladder)trans-122.5130.9177.3172.860.3000109.9I411 I414 A472 L529 L536 D601 V602 V604I411-L470 HydrophobicContact CG1-CD1 3.92Å; I414-L470 HydrophobicContact CD1-CB 3.84Å; I414-L470 HydrophobicContact CD1-CD1 3.77Å; I414-L470 HydrophobicContact CD1-CD2 4.47Å; I414-L470 HydrophobicContact CD1-CG 4.22Å; L470-A472 HydrophobicContact CD1-CB 3.88Å; L470-A472 HydrophobicContact CG-CB 4.18Å; L470-L529 HydrophobicContact CD2-CD1 3.56Å; L470-L536 HydrophobicContact CD2-CD2 3.91Å; L470-D601 WeakPolarHBondContact O-CA 3.32Å; L470-V602 HydrophobicContact CB-CG2 4.37Å; L470-V602 PolarHBondContact N-O 2.86Å; L470-V602 PolarHBondContact O-N 3.06Å; L470-V604 HydrophobicContact CB-CG2 3.53Å; L470-V604 HydrophobicContact CD2-CG2 3.83Å; L470-V604 HydrophobicContact CG-CG2 4.34Å
471C95.6Very high90.3Very high0 Ų028.1 Ų28.10%015%0.147CC..EExtended strand (participates in β ladder)trans-116.9117.1162.7-61.10000109.2P236 H237 A240 P408 W599 I600 D601P236-C471 HydrophobicContact CB-CB 4.21Å; H237-C471 HydrophobicContact CB-CB 4.46Å; A240-C471 HydrophobicContact CB-CB 4.25Å; P408-C471 HydrophobicContact CB-CB 4.1Å; P408-C471 VanDerWaalsContact CB-SG 3.53Å; P408-C471 HydrophobicContact CG-CB 4.38Å; C471-W599 HydrophobicContact CB-CZ3 4.45Å; C471-I600 VanDerWaalsContact CA-O 3.28Å; C471-I600 WeakPolarHBondContact CA-O 3.35Å; C471-D601 VanDerWaalsContact SG-CG 3.56Å; C471-D601 PolarHBondContact SG-OD1 2.96Å; C471-D601 VanDerWaalsContact SG-OD1 3.35Å
472A95.2Very high90.3Very high1 Ų127.8 Ų27.81%0.00814%0.142CC..EExtended strand (participates in β ladder)trans-154.1169.2-178.700000111.1I411 L470 L529 W599 I600I411-A472 HydrophobicContact CD1-CB 4.29Å; L470-A472 HydrophobicContact CD1-CB 3.88Å; L470-A472 HydrophobicContact CG-CB 4.18Å; A472-L529 HydrophobicContact CB-CB 3.99Å; A472-W599 VanDerWaalsContact O-CA 3.31Å; A472-W599 WeakPolarHBondContact O-CA 3.42Å; A472-I600 PolarHBondContact N-O 3.05Å; A472-I600 PolarHBondContact O-N 3.39Å
473R92.3Very high90.3Very high4 Ų428.8 Ų28.82%0.01515%0.149CC..EExtended strand (participates in β ladder)trans-101.1141.9177.1-86.7-176.9178-144.4-1.1112.4A240 L241 L246 T280 R390 V475 L529 E530 Q598 W599A240-R473 PolarHBondContact O-NE 3.06Å; A240-R473 PolarHBondContact O-NH2 2.84Å; L241-R473 PolarHBondContact O-NH2 3.37Å; L246-R473 HydrophobicContact CD1-CG 4.45Å; L246-R473 HydrophobicContact CD2-CB 4.06Å; T280-R473 PolarHBondContact O-NH1 3.03Å; T280-R473 PolarHBondContact O-NH2 3.38Å; R390-R473 VanDerWaalsContact NH1-NH2 3.13Å; R473-V475 PolarHBondContact O-N 3.37Å; R473-L529 CarbonylContact O-C 3.56Å; R473-L529 WeakPolarHBondContact O-CA 3.45Å; R473-E530 PolarHBondContact N-O 3.09Å; R473-E530 VanDerWaalsContact N-O 3.13Å; R473-E530 PolarHBondContact O-N 2.81Å; R473-Q598 WeakPolarHBondContact CA-O 3.35Å; R473-W599 HydrophobicContact CG-CB 3.59Å
474V91.6Very high90.2Very high0 Ų029 Ų290%015%0.153CC..EExtended strand (participates in β ladder)trans-78.1109.7172.8-1760000108.3D476 L527 L529 L595 G597 Q598 I600V474-D476 WeakPolarHBondContact CG1-O 3.3Å; V474-L527 HydrophobicContact CG1-CD2 4.33Å; V474-L529 HydrophobicContact CB-CD2 4.4Å; V474-L529 HydrophobicContact CG2-CD2 3.77Å; V474-L595 WeakPolarHBondContact CB-O 3.34Å; V474-L595 HydrophobicContact CG1-CB 4.43Å; V474-G597 PolarHBondContact O-N 3.33Å; V474-Q598 PolarHBondContact N-O 3.27Å; V474-I600 HydrophobicContact CG2-CG2 4.23Å
475V87.4Confident90.1Very high15 Ų1528 Ų289%0.09115%0.148CC..EExtended strand (participates in β ladder)trans-98.9-25.3178.6-67.30000112.5L246 W249 R473 H528 E530L246-V475 HydrophobicContact CD2-CG1 3.93Å; W249-V475 PolarHBondContact NE1-O 3.07Å; W249-V475 VanDerWaalsContact NE1-O 3.13Å; R473-V475 PolarHBondContact O-N 3.37Å; V475-H528 HydrophobicContact CG2-CB 4.22Å; V475-H528 VanDerWaalsContact CG2-O 3.32Å; V475-H528 WeakPolarHBondContact CG2-O 3.45Å; V475-H528 PolarHBondContact N-O 3.02Å; V475-E530 HydrophobicContact CB-CB 4.38Å; V475-E530 HydrophobicContact CG1-CB 3.53Å; V475-E530 HydrophobicContact CG1-CG 4.48Å; V475-E530 WeakPolarHBondContact CG1-OE2 3.32Å; V475-E530 HydrophobicContact CG2-CB 3.93Å
476D88.6Confident89.8Confident71 Ų7130.1 Ų30.138%0.3816%0.157SC..EExtended strand (participates in β ladder)trans-151.5163.5173.7-163.413.8000110.3V474 L480 H528V474-D476 WeakPolarHBondContact CG1-O 3.3Å; D476-L480 WeakPolarHBondContact OD1-CD1 3.47Å; D476-H528 HydrophobicContact CB-CB 3.68Å; D476-H528 PolarHBondContact N-O 2.76Å; D476-H528 WeakPolarHBondContact O-CB 3.42Å; D476-H528 PolarHBondContact O-N 2.88Å
477I89.8Confident89.5Confident7 Ų732.4 Ų32.44%0.03617%0.169CC..EExtended strand (participates in β ladder)trans-146.3146.2-179-175.3164.2000110.9L480 F526 L527 C592 L595 L596I477-L480 HydrophobicContact CG2-CD1 4.35Å; I477-L480 HydrophobicContact CG2-CD2 3.65Å; I477-L480 HydrophobicContact CG2-CG 3.87Å; I477-L480 VanDerWaalsContact O-CD1 3.29Å; I477-L480 WeakPolarHBondContact O-CD1 3.42Å; I477-L480 VanDerWaalsContact O-CG 3.23Å; I477-L480 WeakPolarHBondContact O-CG 3.3Å; I477-F526 CarbonylContact C-O 3.57Å; I477-F526 WeakPolarHBondContact CA-O 3.4Å; I477-L527 HydrophobicContact CB-CD2 4.46Å; I477-L527 HydrophobicContact CD1-CD2 3.56Å; I477-L527 HydrophobicContact CG1-CD2 3.87Å; I477-C592 HydrophobicContact CD1-CB 3.92Å; I477-C592 HydrophobicContact CG1-CB 4.49Å; I477-C592 HydrophobicContact CG2-CB 4.13Å; I477-L595 HydrophobicContact CD1-CB 4.25Å; I477-L595 HydrophobicContact CD1-CD1 3.29Å; I477-L595 HydrophobicContact CD1-CG 4.33Å; I477-L596 HydrophobicContact CG2-CD2 4.01Å; I477-L596 HydrophobicContact CG2-CG 4.47Å
478A90.8Very high89.3Confident34 Ų3431.6 Ų31.628%0.28117%0.167SC..EExtended strand (participates in β ladder)trans-120.7131.5160.500000109F525 F526A478-F525 WeakPolarHBondContact O-CA 3.45Å; A478-F526 HydrophobicContact CB-CB 4.25Å; A478-F526 HydrophobicContact CB-CD2 4.2Å; A478-F526 PolarHBondContact N-O 2.86Å; A478-F526 PolarHBondContact O-N 2.85Å
479P91.3Very high89.1Confident0 Ų031.6 Ų31.60%017%0.167CC..  cis-91.2150.810.934.6-34.8000115.4A484 L485 C488 F525 L589 C592P479-A484 HydrophobicContact CB-CB 3.84Å; P479-L485 VanDerWaalsContact CB-CA 3.45Å; P479-L485 HydrophobicContact CB-CB 3.93Å; P479-L485 HydrophobicContact CB-CD1 4.49Å; P479-L485 VanDerWaalsContact CB-N 3.31Å; P479-L485 HydrophobicContact CG-CB 3.99Å; P479-L485 HydrophobicContact CG-CD1 3.62Å; P479-L485 HydrophobicContact CG-CG 4.4Å; P479-C488 HydrophobicContact CB-CB 4.32Å; P479-C488 HydrophobicContact CG-CB 4.12Å; P479-F525 HydrophobicContact CG-CD1 4.17Å; P479-F525 HydrophobicContact CG-CE1 3.83Å; P479-F525 HydrophobicContact CG-CZ 4.22Å; P479-L589 HydrophobicContact CB-CD2 4.33Å; P479-L589 HydrophobicContact CG-CD2 4.42Å; P479-C592 WeakPolarHBondContact O-CB 3.39Å
480L85.2Confident88.8Confident59 Ų5931.6 Ų31.631%0.30917%0.169SC..  trans-117.9-11.3172.8-81.3169.9000114.8D476 I477 R593D476-L480 WeakPolarHBondContact OD1-CD1 3.47Å; I477-L480 HydrophobicContact CG2-CD1 4.35Å; I477-L480 HydrophobicContact CG2-CD2 3.65Å; I477-L480 HydrophobicContact CG2-CG 3.87Å; I477-L480 VanDerWaalsContact O-CD1 3.29Å; I477-L480 WeakPolarHBondContact O-CD1 3.42Å; I477-L480 VanDerWaalsContact O-CG 3.23Å; I477-L480 WeakPolarHBondContact O-CG 3.3Å; L480-R593 HydrophobicContact CD2-CG 4.1Å; L480-R593 PolarHBondContact O-NH2 2.79Å
481D84.4Confident88.4Confident86 Ų8631.6 Ų31.646%0.4617%0.17SC..SBendtrans-134.5167.5174.769.258.5000111.3K483 A484 L485D481-K483 VanDerWaalsContact C-N 3.29Å; D481-K483 PolarHBondContact O-N 2.82Å; D481-K483 WeakPolarHBondContact OD1-CA 3.43Å; D481-K483 WeakPolarHBondContact OD1-CB 3.16Å; D481-K483 PolarHBondContact OD1-N 2.86Å; D481-A484 PolarHBondContact O-N 2.99Å; D481-A484 PolarHBondContact OD1-N 2.66Å; D481-L485 WeakPolarHBondContact O-CB 3.29Å; D481-L485 PolarHBondContact O-N 2.83Å
482V82.2Confident88Confident62 Ų6233.2 Ų33.238%0.37618%0.179SC..Hα-helixtrans-64.1-34.7-174.4-179.90000112L485 K486 D585 L589V482-L485 PolarHBondContact O-N 3.4Å; V482-K486 PolarHBondContact O-N 3.06Å; V482-K486 VanDerWaalsContact O-N 3.07Å; V482-D585 HydrophobicContact CG2-CB 4.35Å; V482-L589 HydrophobicContact CG2-CD1 3.85Å
483K82.7Confident87.6Confident162 Ų16233.3 Ų33.370%0.70418%0.18SC*.Hα-helixtrans-68.6-49.4-180-177.8-173.6174.8-171.80110D481 L485 K486 D487D481-K483 VanDerWaalsContact C-N 3.29Å; D481-K483 PolarHBondContact O-N 2.82Å; D481-K483 WeakPolarHBondContact OD1-CA 3.43Å; D481-K483 WeakPolarHBondContact OD1-CB 3.16Å; D481-K483 PolarHBondContact OD1-N 2.86Å; K483-L485 PolarHBondContact O-N 2.96Å; K483-K486 PolarHBondContact O-N 3.39Å; K483-D487 PolarHBondContact O-N 2.95Å; K483-D487 VanDerWaalsContact O-N 3.08Å
484A87Confident87.2Confident23 Ų2338.4 Ų38.419%0.1922%0.216CC..Hα-helixtrans-59.2-36.717400000111.4P479 D481 D487 C488P479-A484 HydrophobicContact CB-CB 3.84Å; D481-A484 PolarHBondContact O-N 2.99Å; D481-A484 PolarHBondContact OD1-N 2.66Å; A484-D487 WeakPolarHBondContact O-CB 3.06Å; A484-D487 PolarHBondContact O-N 2.92Å; A484-C488 VanDerWaalsContact O-CB 3.28Å; A484-C488 WeakPolarHBondContact O-CB 3.21Å; A484-C488 PolarHBondContact O-N 2.94Å; A484-C488 PolarHBondContact O-SG 2.69Å
485L87.2Confident86.9Confident3 Ų343.5 Ų43.52%0.01624%0.243CC..Hα-helixtrans-61.7-47.1176.2177.958.7000111.6P479 D481 V482 K483 D487 C488 L489 F525 L570 D585 V588 L589P479-L485 VanDerWaalsContact CB-CA 3.45Å; P479-L485 HydrophobicContact CB-CB 3.93Å; P479-L485 HydrophobicContact CB-CD1 4.49Å; P479-L485 VanDerWaalsContact CB-N 3.31Å; P479-L485 HydrophobicContact CG-CB 3.99Å; P479-L485 HydrophobicContact CG-CD1 3.62Å; P479-L485 HydrophobicContact CG-CG 4.4Å; D481-L485 WeakPolarHBondContact O-CB 3.29Å; D481-L485 PolarHBondContact O-N 2.83Å; V482-L485 PolarHBondContact O-N 3.4Å; K483-L485 PolarHBondContact O-N 2.96Å; L485-D487 VanDerWaalsContact C-N 3.28Å; L485-D487 PolarHBondContact O-N 2.87Å; L485-C488 CarbonylContact O-C 3.11Å; L485-C488 PolarHBondContact O-N 3.3Å; L485-L489 WeakPolarHBondContact O-CG 3.49Å; L485-L489 PolarHBondContact O-N 2.79Å; L485-F525 HydrophobicContact CD1-CE1 4.24Å; L485-F525 HydrophobicContact CD1-CZ 4.49Å; L485-L570 HydrophobicContact CD2-CD1 4.41Å; L485-L570 HydrophobicContact CD2-CD2 3.85Å; L485-D585 HydrophobicContact CD2-CB 4Å; L485-V588 HydrophobicContact CD1-CG1 3.64Å; L485-V588 HydrophobicContact CD2-CB 4.47Å; L485-V588 HydrophobicContact CD2-CG1 3.96Å; L485-V588 HydrophobicContact CG-CG1 4.48Å; L485-L589 HydrophobicContact CB-CD2 4.4Å; L485-L589 HydrophobicContact CD2-CG 4.36Å
486K83.6Confident86.8Confident47 Ų4745.6 Ų45.620%0.20426%0.258CS..Hα-helixtrans-61.9-35.2175-67.7-170.6-179.2-1680112.3V482 K483 C488 S503 E573V482-K486 PolarHBondContact O-N 3.06Å; V482-K486 VanDerWaalsContact O-N 3.07Å; K483-K486 PolarHBondContact O-N 3.39Å; K486-C488 VanDerWaalsContact C-N 3.3Å; K486-S503 PolarHBondContact O-N 2.89Å; K486-S503 VanDerWaalsContact O-N 3.15Å; K486-E573 IonicContact NZ-OE1 3.01Å; K486-E573 PolarHBondContact NZ-OE1 2.99Å
487D86.7Confident86.4Confident50 Ų5047.4 Ų47.427%0.26728%0.276SS..Hα-helixtrans-68.2-28.2173.7-78.4-41.5000113.3K483 A484 L485 L489 S503K483-D487 PolarHBondContact O-N 2.95Å; K483-D487 VanDerWaalsContact O-N 3.08Å; A484-D487 WeakPolarHBondContact O-CB 3.06Å; A484-D487 PolarHBondContact O-N 2.92Å; L485-D487 VanDerWaalsContact C-N 3.28Å; L485-D487 PolarHBondContact O-N 2.87Å; D487-L489 VanDerWaalsContact C-N 3.35Å; D487-S503 WeakPolarHBondContact OD1-CB 3.18Å; D487-S503 PolarHBondContact OD1-OG 2.59Å
488C90Very high86.2Confident9 Ų951.7 Ų51.76%0.06130%0.295CS..THydrogen-bonded Turntrans-88.44.9-179.5-72.70000113.7P479 A484 L485 K486 L524 F525P479-C488 HydrophobicContact CB-CB 4.32Å; P479-C488 HydrophobicContact CG-CB 4.12Å; A484-C488 VanDerWaalsContact O-CB 3.28Å; A484-C488 WeakPolarHBondContact O-CB 3.21Å; A484-C488 PolarHBondContact O-N 2.94Å; A484-C488 PolarHBondContact O-SG 2.69Å; L485-C488 CarbonylContact O-C 3.11Å; L485-C488 PolarHBondContact O-N 3.3Å; K486-C488 VanDerWaalsContact C-N 3.3Å; C488-L524 WeakPolarHBondContact CB-O 3.46Å; C488-L524 WeakPolarHBondContact O-CA 3.35Å; C488-L524 WeakPolarHBondContact O-CB 3.09Å; C488-L524 PolarHBondContact O-N 2.97Å; C488-F525 HydrophobicContact CB-CD1 4.44Å
489L89Confident85.9Confident0 Ų053.5 Ų53.50%031%0.305CS..EExtended strand (participates in β ladder)trans-105.8117.8171.7-62.3175.5000108.4L485 D487 G502 I521 P523 W567 L570 I571L485-L489 WeakPolarHBondContact O-CG 3.49Å; L485-L489 PolarHBondContact O-N 2.79Å; D487-L489 VanDerWaalsContact C-N 3.35Å; L489-G502 PolarHBondContact O-N 2.75Å; L489-I521 HydrophobicContact CB-CG2 4.46Å; L489-I521 HydrophobicContact CD2-CG2 4.32Å; L489-P523 HydrophobicContact CD2-CB 4.16Å; L489-P523 HydrophobicContact CD2-CG 4.27Å; L489-W567 HydrophobicContact CD2-CE3 3.63Å; L489-W567 HydrophobicContact CD2-CZ3 3.85Å; L489-L570 HydrophobicContact CD1-CB 3.7Å; L489-L570 HydrophobicContact CD1-CD1 4.14Å; L489-I571 HydrophobicContact CB-CD1 4.09Å; L489-I571 HydrophobicContact CB-CG1 4.31Å; L489-I571 HydrophobicContact CD1-CD1 4.3Å; L489-I571 HydrophobicContact CD1-CG1 3.72Å
490L88.9Confident85.6Confident30 Ų3055.9 Ų55.916%0.15732%0.317CS..EExtended strand (participates in β ladder)trans-95.8140.4174.5-63.2-179.6000110.1T492 I500 R501 I521 L522 L524L490-T492 HydrophobicContact CB-CG2 4.32Å; L490-I500 CarbonylContact C-O 3.53Å; L490-I500 WeakPolarHBondContact CA-O 3.46Å; L490-R501 HydrophobicContact CD2-CG 3.93Å; L490-I521 CarbonylContact O-C 3.48Å; L490-I521 WeakPolarHBondContact O-CA 3.34Å; L490-L522 HydrophobicContact CB-CB 4.26Å; L490-L522 HydrophobicContact CD1-CD2 4.45Å; L490-L522 PolarHBondContact N-O 3.48Å; L490-L522 PolarHBondContact O-N 3.25Å; L490-L524 HydrophobicContact CD1-CB 4.42Å; L490-L524 HydrophobicContact CD1-CD2 3.94Å; L490-L524 HydrophobicContact CD2-CD2 4.5Å; L490-L524 HydrophobicContact CG-CB 4.36Å; L490-L524 HydrophobicContact CG-CD2 4.17Å
491L86.6Confident85.7Confident1 Ų159.9 Ų59.91%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-102.7119.6166.5-77.9158.2000108.4S499 I500 I505 L519 S520 I521 I571L491-S499 CarbonylContact O-C 3.56Å; L491-S499 VanDerWaalsContact O-CA 3.26Å; L491-S499 WeakPolarHBondContact O-CA 3.33Å; L491-I500 HydrophobicContact CB-CG2 3.95Å; L491-I500 PolarHBondContact N-O 2.87Å; L491-I500 PolarHBondContact O-N 2.89Å; L491-I505 HydrophobicContact CD1-CD1 3.05Å; L491-I505 HydrophobicContact CD1-CG1 4.05Å; L491-I505 HydrophobicContact CG-CD1 4.42Å; L491-L519 HydrophobicContact CB-CB 4.23Å; L491-L519 HydrophobicContact CB-CD1 4.19Å; L491-L519 HydrophobicContact CD2-CB 3.89Å; L491-S520 CarbonylContact C-O 3.53Å; L491-S520 WeakPolarHBondContact CA-O 3.29Å; L491-I521 HydrophobicContact CD2-CD1 4.42Å; L491-I521 HydrophobicContact CD2-CG1 3.48Å; L491-I521 VanDerWaalsContact CD2-CG1 3.48Å; L491-I521 HydrophobicContact CG-CG1 4.33Å; L491-I571 HydrophobicContact CD1-CD1 3.99Å; L491-I571 HydrophobicContact CD2-CD1 4.42Å; L491-I571 HydrophobicContact CG-CD1 4.11Å
492T87.8Confident85.5Confident33 Ų3356 Ų5620%0.20231%0.309CS..EExtended strand (participates in β ladder)trans-117.4140.2-174.260.10000110.6L490 F498 L519 S520 L522L490-T492 HydrophobicContact CB-CG2 4.32Å; T492-F498 CarbonylContact C-O 3.56Å; T492-F498 WeakPolarHBondContact CA-O 2.75Å; T492-L519 WeakPolarHBondContact O-CA 3.35Å; T492-S520 PolarHBondContact N-O 3.13Å; T492-S520 PolarHBondContact O-N 2.7Å; T492-S520 PolarHBondContact O-OG 2.87Å; T492-S520 PolarHBondContact OG1-O 3.41Å; T492-S520 PolarHBondContact OG1-OG 2.9Å; T492-L522 HydrophobicContact CG2-CB 4.13Å; T492-L522 HydrophobicContact CG2-CD2 4.14Å
493C87.9Confident85.4Confident4 Ų455.4 Ų55.43%0.02731%0.307CS..EExtended strand (participates in β ladder)trans-98.4123.8171.8-173.60000110N495 C496 S497 F498 C513 C515 L519C493-N495 PolarHBondContact O-N 2.7Å; C493-N495 PolarHBondContact SG-N 3.09Å; C493-N495 VanDerWaalsContact SG-N 3.43Å; C493-C496 WeakPolarHBondContact CB-SG 3.34Å; C493-C496 PolarHBondContact SG-SG 3.28Å; C493-S497 WeakPolarHBondContact O-CA 3.13Å; C493-S497 PolarHBondContact O-N 3.15Å; C493-S497 VanDerWaalsContact O-N 3.08Å; C493-F498 HydrophobicContact CB-CB 4.26Å; C493-F498 PolarHBondContact N-O 3.27Å; C493-C513 HydrophobicContact CB-CB 4.1Å; C493-C515 VanDerWaalsContact SG-SG 3.61Å; C493-L519 HydrophobicContact CB-CD2 3.74Å
494S83.3Confident85.4Confident110 Ų11051.4 Ų51.477%0.76930%0.299SS*.THydrogen-bonded Turntrans-66.8-22.4175.356.20000113.6
495N85.6Confident84.8Confident108 Ų10851.9 Ų51.958%0.57830%0.298SS*.THydrogen-bonded Turntrans-91-40.3-175.1-170.240.6000113.5C493 S517C493-N495 PolarHBondContact O-N 2.7Å; C493-N495 PolarHBondContact SG-N 3.09Å; C493-N495 VanDerWaalsContact SG-N 3.43Å; N495-S517 WeakPolarHBondContact CB-OG 3.16Å
496C85.2Confident84Confident58 Ų5854.4 Ų54.439%0.39232%0.316SS..THydrogen-bonded Turntrans-114.11.9-175.866.70000114.5C493 F498 C513C493-C496 WeakPolarHBondContact CB-SG 3.34Å; C493-C496 PolarHBondContact SG-SG 3.28Å; C496-F498 PolarHBondContact O-N 2.86Å; C496-F498 WeakPolarHBondContact SG-CB 3.37Å; C496-C513 PolarHBondContact SG-SG 3.22Å
497S80.4Confident83.2Confident109 Ų10957.5 Ų57.576%0.76234%0.335SS*.  trans57.214.2-175.1-53.10000114.5C493C493-S497 WeakPolarHBondContact O-CA 3.13Å; C493-S497 PolarHBondContact O-N 3.15Å; C493-S497 VanDerWaalsContact O-N 3.08Å
498F84.4Confident81.9Confident98 Ų9862.6 Ų62.643%0.4336%0.363SS..  trans-62.7137.8171.5178.1-100.7000109.9T492 C493 C496 I500T492-F498 CarbonylContact C-O 3.56Å; T492-F498 WeakPolarHBondContact CA-O 2.75Å; C493-F498 HydrophobicContact CB-CB 4.26Å; C493-F498 PolarHBondContact N-O 3.27Å; C496-F498 PolarHBondContact O-N 2.86Å; C496-F498 WeakPolarHBondContact SG-CB 3.37Å; F498-I500 HydrophobicContact CE1-CB 3.76Å; F498-I500 HydrophobicContact CE1-CG2 3.79Å; F498-I500 HydrophobicContact CZ-CB 3.9Å; F498-I500 HydrophobicContact CZ-CD1 4.33Å; F498-I500 HydrophobicContact CZ-CG2 4.38Å
499S84.6Confident80.8Confident71 Ų7166.2 Ų66.250%0.49738%0.381SS..EExtended strand (participates in β ladder)trans-135.7132.8174.664.60000110.5L491L491-S499 CarbonylContact O-C 3.56Å; L491-S499 VanDerWaalsContact O-CA 3.26Å; L491-S499 WeakPolarHBondContact O-CA 3.33Å
500I85.8Confident79.6Confident50 Ų5073.7 Ų73.726%0.25642%0.416SS..EExtended strand (participates in β ladder)trans-132.5152.6174.7-168.4167.6000110.3L490 L491 F498 I505L490-I500 CarbonylContact C-O 3.53Å; L490-I500 WeakPolarHBondContact CA-O 3.46Å; L491-I500 HydrophobicContact CB-CG2 3.95Å; L491-I500 PolarHBondContact N-O 2.87Å; L491-I500 PolarHBondContact O-N 2.89Å; F498-I500 HydrophobicContact CE1-CB 3.76Å; F498-I500 HydrophobicContact CE1-CG2 3.79Å; F498-I500 HydrophobicContact CZ-CB 3.9Å; F498-I500 HydrophobicContact CZ-CD1 4.33Å; F498-I500 HydrophobicContact CZ-CG2 4.38Å; I500-I505 HydrophobicContact CG2-CD1 4.19Å; I500-I505 HydrophobicContact CG2-CG1 4.45Å
501R86Confident78.7Confident144 Ų14473.9 Ų73.954%0.54342%0.422SS..EExtended strand (participates in β ladder)trans-75.1139.3173.7-63.8-179.1-176.9179.2-0.7110.1L490 S503 S504L490-R501 HydrophobicContact CD2-CG 3.93Å; R501-S503 PolarHBondContact O-N 3.16Å; R501-S504 WeakPolarHBondContact O-CB 3.32Å; R501-S504 PolarHBondContact O-N 3.06Å
502G80Confident78.3Confident4 Ų478 Ų784%0.04144%0.443CS..G310 helixtrans-59.1-32.4178.200000112.6L489 S504 I505L489-G502 PolarHBondContact O-N 2.75Å; G502-S504 PolarHBondContact O-N 2.81Å; G502-I505 PolarHBondContact O-N 3.01Å
503S80.5Confident78.1Confident50 Ų5077 Ų7735%0.3544%0.438SS..G310 helixtrans-62-17.1172.760.80000115.3K486 D487 R501K486-S503 PolarHBondContact O-N 2.89Å; K486-S503 VanDerWaalsContact O-N 3.15Å; D487-S503 WeakPolarHBondContact OD1-CB 3.18Å; D487-S503 PolarHBondContact OD1-OG 2.59Å; R501-S503 PolarHBondContact O-N 3.16Å
504S82.2Confident77.8Confident77 Ų7786.8 Ų86.854%0.53848%0.483SS..G310 helixtrans-91.2-3.8179.9-53.40000113.1R501 G502R501-S504 WeakPolarHBondContact O-CB 3.32Å; R501-S504 PolarHBondContact O-N 3.06Å; G502-S504 PolarHBondContact O-N 2.81Å
505I75.8Confident78Confident33 Ų3384.3 Ų84.317%0.16947%0.465CS..SBendtrans-95.1140.2-179.2-63.2-156.2000110.1L491 I500 G502 D509 F572L491-I505 HydrophobicContact CD1-CD1 3.05Å; L491-I505 HydrophobicContact CD1-CG1 4.05Å; L491-I505 HydrophobicContact CG-CD1 4.42Å; I500-I505 HydrophobicContact CG2-CD1 4.19Å; I500-I505 HydrophobicContact CG2-CG1 4.45Å; G502-I505 PolarHBondContact O-N 3.01Å; I505-D509 HydrophobicContact CG2-CB 3.83Å; I505-F572 HydrophobicContact CG2-CE1 4.13Å; I505-F572 HydrophobicContact CG2-CZ 4.44Å
506S70.2Confident78Confident56 Ų5682 Ų8239%0.39247%0.467SS..  trans-83.1149.1172.573.40000110.8D508 D509S506-D508 PolarHBondContact O-N 3.23Å; S506-D509 WeakPolarHBondContact CB-OD2 3.26Å; S506-D509 PolarHBondContact N-OD2 3.35Å; S506-D509 VanDerWaalsContact N-OD2 3.09Å; S506-D509 PolarHBondContact O-N 3.21Å; S506-D509 VanDerWaalsContact O-N 3.08Å; S506-D509 PolarHBondContact OG-OD1 3.08Å; S506-D509 PolarHBondContact OG-OD2 3.26Å
507D66Low78Confident113 Ų11380.7 Ų80.760%0.60446%0.459SS*.THydrogen-bonded Turntrans-58.5-19.1-177.3-63.4-32.6000113.6
508D60.5Low78.1Confident157 Ų15780 Ų8084%0.8445%0.453SS*.THydrogen-bonded Turntrans-92.2-6.5-177.6-66.5-37.4000114S506S506-D508 PolarHBondContact O-N 3.23Å
509D65.1Low78.1Confident84 Ų8476.6 Ų76.645%0.44944%0.439SS..  trans-80.5128.7-175.9-69.9-44000112.1I505 S506 F572I505-D509 HydrophobicContact CG2-CB 3.83Å; S506-D509 WeakPolarHBondContact CB-OD2 3.26Å; S506-D509 PolarHBondContact N-OD2 3.35Å; S506-D509 VanDerWaalsContact N-OD2 3.09Å; S506-D509 PolarHBondContact O-N 3.21Å; S506-D509 VanDerWaalsContact O-N 3.08Å; S506-D509 PolarHBondContact OG-OD1 3.08Å; S506-D509 PolarHBondContact OG-OD2 3.26Å; D509-F572 WeakPolarHBondContact O-CE1 3.35Å
510E64.7Low78.1Confident157 Ų15776 Ų7673%0.73444%0.435SS*.  trans-65.8136.4165.7-67.8-177175.500109.2L512E510-L512 HydrophobicContact CB-CD1 4.3Å; E510-L512 HydrophobicContact CB-CG 4.34Å; E510-L512 PolarHBondContact O-N 3.09Å; E510-L512 WeakPolarHBondContact OE2-CD1 3.11Å
511A70Confident78Confident35 Ų3575.2 Ų75.229%0.28943%0.431SS..SBendtrans-7149.2179.600000113.2L519 F572A511-L519 PolarHBondContact O-N 2.85Å; A511-F572 HydrophobicContact CB-CZ 4.32Å
512L78.3Confident78.1Confident86 Ų8671 Ų7145%0.4542%0.418SS..BIsolated β-bridgetrans-108130.3178.4-67.2174.1000109.6E510E510-L512 HydrophobicContact CB-CD1 4.3Å; E510-L512 HydrophobicContact CB-CG 4.34Å; E510-L512 PolarHBondContact O-N 3.09Å; E510-L512 WeakPolarHBondContact OE2-CD1 3.11Å
513C83.6Confident78.7Confident13 Ų1370.9 Ų70.99%0.08842%0.417CS..  trans-71.2156.5168.4-172.20000110.4C493 C496 C515 G516 S517 L519C493-C513 HydrophobicContact CB-CB 4.1Å; C496-C513 PolarHBondContact SG-SG 3.22Å; C513-C515 PolarHBondContact O-N 3.06Å; C513-G516 WeakPolarHBondContact O-CA 3.37Å; C513-G516 PolarHBondContact O-N 3.01Å; C513-S517 WeakPolarHBondContact CB-O 3.49Å; C513-S517 PolarHBondContact N-O 2.94Å; C513-L519 HydrophobicContact CB-CD2 3.81Å; C513-L519 HydrophobicContact CB-CG 4.34Å
514E82Confident79.2Confident210 Ų21069.9 Ų69.998%0.98141%0.408SS*.THydrogen-bonded Turntrans-54.5-24.2173-62.8-175.3167.700113.6G516E514-G516 PolarHBondContact O-N 2.87Å
515C88Confident79.8Confident58 Ų5866.2 Ų66.239%0.39238%0.382SS..THydrogen-bonded Turntrans-79.20.8174.674.10000114.3C493 C513 S517C493-C515 VanDerWaalsContact SG-SG 3.61Å; C513-C515 PolarHBondContact O-N 3.06Å; C515-S517 PolarHBondContact SG-OG 2.79Å; C515-S517 VanDerWaalsContact SG-OG 3.37Å
516G84.2Confident80.7Confident59 Ų5967.9 Ų67.961%0.60839%0.388SS*.SBendtrans81.45.7-178.300000115.2C513 E514C513-G516 WeakPolarHBondContact O-CA 3.37Å; C513-G516 PolarHBondContact O-N 3.01Å; E514-G516 PolarHBondContact O-N 2.87Å
517S86.2Confident81.8Confident31 Ų3165.2 Ų65.222%0.21737%0.37CS..PPolyproline II helixtrans-92.1146.2177.1-54.20000111.3N495 C513 C515N495-S517 WeakPolarHBondContact CB-OG 3.16Å; C513-S517 WeakPolarHBondContact CB-O 3.49Å; C513-S517 PolarHBondContact N-O 2.94Å; C515-S517 PolarHBondContact SG-OG 2.79Å; C515-S517 VanDerWaalsContact SG-OG 3.37Å
518C82.4Confident83.1Confident95 Ų9562.7 Ų62.764%0.64235%0.354SS*.BIsolated β-bridgetrans-65.3141173.3-580000111.2
519L83.4Confident84.7Confident26 Ų2655.2 Ų55.214%0.13631%0.314CS..EExtended strand (participates in β ladder)trans-82.6139.8172.3-62.5171.7000110.2L491 T492 C493 A511 C513L491-L519 HydrophobicContact CB-CB 4.23Å; L491-L519 HydrophobicContact CB-CD1 4.19Å; L491-L519 HydrophobicContact CD2-CB 3.89Å; T492-L519 WeakPolarHBondContact O-CA 3.35Å; C493-L519 HydrophobicContact CB-CD2 3.74Å; A511-L519 PolarHBondContact O-N 2.85Å; C513-L519 HydrophobicContact CB-CD2 3.81Å; C513-L519 HydrophobicContact CB-CG 4.34Å
520S84.3Confident85.9Confident59 Ų5952 Ų5241%0.41330%0.296SS..EExtended strand (participates in β ladder)trans-101.9145.6171.150.90000110.7L491 T492L491-S520 CarbonylContact C-O 3.53Å; L491-S520 WeakPolarHBondContact CA-O 3.29Å; T492-S520 PolarHBondContact N-O 3.13Å; T492-S520 PolarHBondContact O-N 2.7Å; T492-S520 PolarHBondContact O-OG 2.87Å; T492-S520 PolarHBondContact OG1-O 3.41Å; T492-S520 PolarHBondContact OG1-OG 2.9Å
521I85.6Confident87.2Confident32 Ų3245 Ų4516%0.16426%0.264CS..EExtended strand (participates in β ladder)trans-87.1132.8176.8-62.7168.2000109.8L489 L490 L491 W567 T568 I571L489-I521 HydrophobicContact CB-CG2 4.46Å; L489-I521 HydrophobicContact CD2-CG2 4.32Å; L490-I521 CarbonylContact O-C 3.48Å; L490-I521 WeakPolarHBondContact O-CA 3.34Å; L491-I521 HydrophobicContact CD2-CD1 4.42Å; L491-I521 HydrophobicContact CD2-CG1 3.48Å; L491-I521 VanDerWaalsContact CD2-CG1 3.48Å; L491-I521 HydrophobicContact CG-CG1 4.33Å; I521-W567 HydrophobicContact CB-CB 4.34Å; I521-W567 HydrophobicContact CD1-CB 4.23Å; I521-W567 HydrophobicContact CG2-CB 3.92Å; I521-T568 HydrophobicContact CD1-CG2 4.44Å; I521-T568 VanDerWaalsContact CD1-N 3.28Å; I521-T568 WeakPolarHBondContact CD1-OG1 3.45Å; I521-I571 HydrophobicContact CD1-CD1 3.9Å; I521-I571 HydrophobicContact CG1-CD1 4.06Å
522L88.3Confident88.1Confident55 Ų5543.8 Ų43.829%0.28825%0.253SS..EExtended strand (participates in β ladder)trans-125.3104.4177.6-175.377.6000108.7L490 T492L490-L522 HydrophobicContact CB-CB 4.26Å; L490-L522 HydrophobicContact CD1-CD2 4.45Å; L490-L522 PolarHBondContact N-O 3.48Å; L490-L522 PolarHBondContact O-N 3.25Å; T492-L522 HydrophobicContact CG2-CB 4.13Å; T492-L522 HydrophobicContact CG2-CD2 4.14Å
523P91Very high88.6Confident3 Ų340.5 Ų40.52%0.01924%0.238CC..EExtended strand (participates in β ladder)trans-62.9140.7172.5-22.734.2000111.5L489 T541 G542 V545 W567L489-P523 HydrophobicContact CD2-CB 4.16Å; L489-P523 HydrophobicContact CD2-CG 4.27Å; P523-T541 CarbonylContact O-C 3.49Å; P523-T541 WeakPolarHBondContact O-CA 3.49Å; P523-G542 PolarHBondContact O-N 3.5Å; P523-V545 HydrophobicContact CB-CB 3.87Å; P523-V545 HydrophobicContact CB-CG1 3.65Å; P523-V545 HydrophobicContact CB-CG2 4.11Å; P523-W567 HydrophobicContact CB-CE3 4.27Å; P523-W567 HydrophobicContact CB-CH2 4.01Å; P523-W567 HydrophobicContact CB-CZ3 3.86Å; P523-W567 HydrophobicContact CG-CD2 3.72Å; P523-W567 HydrophobicContact CG-CE3 3.59Å; P523-W567 HydrophobicContact CG-CG 4.47Å; P523-W567 HydrophobicContact CG-CH2 3.77Å; P523-W567 HydrophobicContact CG-CZ2 3.92Å; P523-W567 HydrophobicContact CG-CZ3 3.62Å
524L92.4Very high88.8Confident29 Ų2941.2 Ų41.215%0.15225%0.247CC..EExtended strand (participates in β ladder)trans-136.6103.2-177.2171.370.6000109.2C488 L490 F526 T539 V540 T541C488-L524 WeakPolarHBondContact CB-O 3.46Å; C488-L524 WeakPolarHBondContact O-CA 3.35Å; C488-L524 WeakPolarHBondContact O-CB 3.09Å; C488-L524 PolarHBondContact O-N 2.97Å; L490-L524 HydrophobicContact CD1-CB 4.42Å; L490-L524 HydrophobicContact CD1-CD2 3.94Å; L490-L524 HydrophobicContact CD2-CD2 4.5Å; L490-L524 HydrophobicContact CG-CB 4.36Å; L490-L524 HydrophobicContact CG-CD2 4.17Å; L524-F526 HydrophobicContact CD1-CZ 4.2Å; L524-F526 HydrophobicContact CD2-CE2 4.12Å; L524-F526 HydrophobicContact CD2-CZ 3.82Å; L524-F526 HydrophobicContact CG-CE2 4.01Å; L524-F526 HydrophobicContact CG-CZ 3.91Å; L524-T539 HydrophobicContact CD1-CG2 3.31Å; L524-V540 CarbonylContact C-O 3.59Å; L524-V540 WeakPolarHBondContact CA-O 3.12Å; L524-T541 HydrophobicContact CD1-CG2 3.51Å
525F94.3Very high89.2Confident0 Ų033.6 Ų33.60%021%0.213CC..EExtended strand (participates in β ladder)trans-108.5155.6178.1-70.27.1000110.9A478 P479 L485 C488 V540 V545 I549 V588 C592A478-F525 WeakPolarHBondContact O-CA 3.45Å; P479-F525 HydrophobicContact CG-CD1 4.17Å; P479-F525 HydrophobicContact CG-CE1 3.83Å; P479-F525 HydrophobicContact CG-CZ 4.22Å; L485-F525 HydrophobicContact CD1-CE1 4.24Å; L485-F525 HydrophobicContact CD1-CZ 4.49Å; C488-F525 HydrophobicContact CB-CD1 4.44Å; F525-V540 HydrophobicContact CB-CB 4.28Å; F525-V540 PolarHBondContact N-O 3.37Å; F525-V540 PolarHBondContact O-N 2.77Å; F525-V545 HydrophobicContact CB-CG2 4.18Å; F525-V545 HydrophobicContact CD1-CG1 3.99Å; F525-V545 HydrophobicContact CD1-CG2 4.41Å; F525-V545 HydrophobicContact CD2-CG1 3.69Å; F525-V545 HydrophobicContact CE1-CG1 3.9Å; F525-V545 HydrophobicContact CE2-CG1 3.6Å; F525-V545 HydrophobicContact CG-CG1 3.88Å; F525-V545 HydrophobicContact CG-CG2 4.13Å; F525-V545 HydrophobicContact CZ-CG1 3.7Å; F525-I549 HydrophobicContact CE2-CD1 3.84Å; F525-I549 HydrophobicContact CE2-CG1 4.18Å; F525-I549 HydrophobicContact CZ-CD1 4Å; F525-V588 HydrophobicContact CE2-CG1 4.48Å; F525-V588 HydrophobicContact CZ-CG1 3.78Å; F525-C592 VanDerWaalsContact CE2-SG 3.56Å
526F94.2Very high89.5Confident68 Ų6830.9 Ų30.930%0.29819%0.194SC..EExtended strand (participates in β ladder)trans-120.9122175.4-57.9-86000109I477 A478 L524 I537 T539I477-F526 CarbonylContact C-O 3.57Å; I477-F526 WeakPolarHBondContact CA-O 3.4Å; A478-F526 HydrophobicContact CB-CB 4.25Å; A478-F526 HydrophobicContact CB-CD2 4.2Å; A478-F526 PolarHBondContact N-O 2.86Å; A478-F526 PolarHBondContact O-N 2.85Å; L524-F526 HydrophobicContact CD1-CZ 4.2Å; L524-F526 HydrophobicContact CD2-CE2 4.12Å; L524-F526 HydrophobicContact CD2-CZ 3.82Å; L524-F526 HydrophobicContact CG-CE2 4.01Å; L524-F526 HydrophobicContact CG-CZ 3.91Å; F526-I537 HydrophobicContact CB-CG2 4.1Å; F526-I537 HydrophobicContact CD1-CG2 4.07Å; F526-T539 HydrophobicContact CD1-CG2 4.36Å; F526-T539 HydrophobicContact CE1-CG2 4.03Å
527L94.4Very high90Very high0 Ų032.9 Ų32.90%019%0.19CC..EExtended strand (participates in β ladder)trans-99.9119.9173.4-56.9-179.5000108.4V474 I477 L529 I537 L538 V540 L548 L595 I600V474-L527 HydrophobicContact CG1-CD2 4.33Å; I477-L527 HydrophobicContact CB-CD2 4.46Å; I477-L527 HydrophobicContact CD1-CD2 3.56Å; I477-L527 HydrophobicContact CG1-CD2 3.87Å; L527-L529 HydrophobicContact CB-CD2 3.98Å; L527-L529 HydrophobicContact CB-CG 4.24Å; L527-I537 WeakPolarHBondContact O-CA 3.47Å; L527-L538 HydrophobicContact CB-CB 4.44Å; L527-L538 PolarHBondContact N-O 2.83Å; L527-L538 PolarHBondContact O-N 3.41Å; L527-V540 HydrophobicContact CD1-CG2 3.71Å; L527-V540 HydrophobicContact CG-CG2 3.78Å; L527-L548 HydrophobicContact CD1-CD2 4.24Å; L527-L548 HydrophobicContact CD2-CD2 4.27Å; L527-L595 HydrophobicContact CD2-CD1 4.42Å; L527-I600 HydrophobicContact CD1-CD1 4.23Å
528H92.9Very high90.4Very high60 Ų6031.4 Ų31.428%0.27818%0.18SC..EExtended strand (participates in β ladder)trans-85.6114.1167.6-169.4-174.3000107.8V475 D476 N535V475-H528 HydrophobicContact CG2-CB 4.22Å; V475-H528 VanDerWaalsContact CG2-O 3.32Å; V475-H528 WeakPolarHBondContact CG2-O 3.45Å; V475-H528 PolarHBondContact N-O 3.02Å; D476-H528 HydrophobicContact CB-CB 3.68Å; D476-H528 PolarHBondContact N-O 2.76Å; D476-H528 WeakPolarHBondContact O-CB 3.42Å; D476-H528 PolarHBondContact O-N 2.88Å; H528-N535 WeakPolarHBondContact NE2-CB 3.43Å
529L93.5Very high91Very high0 Ų027.9 Ų27.90%016%0.155CC..EExtended strand (participates in β ladder)trans-107.5140.2-175.7-56.3176000110.3I411 L470 A472 R473 V474 L527 N535 L536 L538 I600I411-L529 HydrophobicContact CD1-CB 4.36Å; L470-L529 HydrophobicContact CD2-CD1 3.56Å; A472-L529 HydrophobicContact CB-CB 3.99Å; R473-L529 CarbonylContact O-C 3.56Å; R473-L529 WeakPolarHBondContact O-CA 3.45Å; V474-L529 HydrophobicContact CB-CD2 4.4Å; V474-L529 HydrophobicContact CG2-CD2 3.77Å; L527-L529 HydrophobicContact CB-CD2 3.98Å; L527-L529 HydrophobicContact CB-CG 4.24Å; L529-N535 CarbonylContact O-C 3.49Å; L529-N535 WeakPolarHBondContact O-CA 3.37Å; L529-L536 PolarHBondContact N-O 3.19Å; L529-L536 PolarHBondContact O-N 2.67Å; L529-L538 HydrophobicContact CD1-CB 3.72Å; L529-L538 HydrophobicContact CD1-CD2 3.86Å; L529-L538 HydrophobicContact CD1-CG 4.4Å; L529-L538 HydrophobicContact CG-CB 4.41Å; L529-I600 HydrophobicContact CD1-CD1 3.79Å; L529-I600 HydrophobicContact CD2-CD1 3.69Å; L529-I600 HydrophobicContact CD2-CG1 4.22Å; L529-I600 HydrophobicContact CG-CD1 4.42Å
530E91.3Very high91.5Very high16 Ų1626.7 Ų26.78%0.07515%0.149CC..EExtended strand (participates in β ladder)trans-125139.7175.4-176.6169.2171.700110.5L246 R473 V475 N535L246-E530 HydrophobicContact CD2-CB 4.42Å; L246-E530 HydrophobicContact CD2-CG 4.42Å; R473-E530 PolarHBondContact N-O 3.09Å; R473-E530 VanDerWaalsContact N-O 3.13Å; R473-E530 PolarHBondContact O-N 2.81Å; V475-E530 HydrophobicContact CB-CB 4.38Å; V475-E530 HydrophobicContact CG1-CB 3.53Å; V475-E530 HydrophobicContact CG1-CG 4.48Å; V475-E530 WeakPolarHBondContact CG1-OE2 3.32Å; V475-E530 HydrophobicContact CG2-CB 3.93Å; E530-N535 WeakPolarHBondContact CA-OD1 3.45Å; E530-N535 VanDerWaalsContact CB-OD1 3.23Å; E530-N535 WeakPolarHBondContact CB-OD1 3.11Å; E530-N535 WeakPolarHBondContact CG-OD1 3.46Å
531D91.8Very high91.9Very high10 Ų1025.9 Ų25.95%0.05314%0.142CC..EExtended strand (participates in β ladder)trans-137.117416385.12.4000109.4T410 I411 S533 G534T410-D531 WeakPolarHBondContact CA-OD2 2.99Å; T410-D531 WeakPolarHBondContact CB-OD2 3.08Å; I411-D531 HydrophobicContact CD1-CB 4.08Å; I411-D531 HydrophobicContact CG1-CB 4.44Å; I411-D531 PolarHBondContact N-OD2 3.05Å; D531-S533 PolarHBondContact O-N 2.77Å; D531-S533 VanDerWaalsContact OD1-CA 3.3Å; D531-S533 WeakPolarHBondContact OD1-CA 3.45Å; D531-S533 VanDerWaalsContact OD1-CB 3.29Å; D531-S533 WeakPolarHBondContact OD1-CB 3.46Å; D531-S533 PolarHBondContact OD1-N 3.44Å; D531-S533 PolarHBondContact OD1-OG 3.08Å; D531-S533 PolarHBondContact OD2-OG 2.84Å; D531-G534 PolarHBondContact N-O 2.86Å; D531-G534 PolarHBondContact O-N 2.86Å; D531-G534 VanDerWaalsContact O-N 3.11Å; D531-G534 VanDerWaalsContact O-O 3.1Å; D531-G534 PolarHBondContact OD1-N 3.36Å; D531-G534 VanDerWaalsContact OD1-N 3.15Å
532P88.1Confident92Very high9 Ų924.8 Ų24.86%0.05814%0.138CC..THydrogen-bonded Turntrans-58.8-19.8-177.9-25.734.7000114.9L229 A239 H244L229-P532 VanDerWaalsContact CD2-O 3.25Å; L229-P532 WeakPolarHBondContact CD2-O 3.2Å; A239-P532 HydrophobicContact CB-CG 3.7Å; H244-P532 WeakPolarHBondContact CD2-CG 3.49Å
533S88.9Confident92Very high18 Ų1827.8 Ų27.813%0.12615%0.15CC..THydrogen-bonded Turntrans-93.1-11-177.679.70000113.9T410 I411 S412 D531T410-S533 WeakPolarHBondContact CB-OG 3.45Å; I411-S533 PolarHBondContact N-OG 3.08Å; S412-S533 WeakPolarHBondContact CB-OG 3.28Å; S412-S533 PolarHBondContact N-OG 3.38Å; D531-S533 PolarHBondContact O-N 2.77Å; D531-S533 VanDerWaalsContact OD1-CA 3.3Å; D531-S533 WeakPolarHBondContact OD1-CA 3.45Å; D531-S533 VanDerWaalsContact OD1-CB 3.29Å; D531-S533 WeakPolarHBondContact OD1-CB 3.46Å; D531-S533 PolarHBondContact OD1-N 3.44Å; D531-S533 PolarHBondContact OD1-OG 3.08Å; D531-S533 PolarHBondContact OD2-OG 2.84Å
534G88.8Confident91.9Very high27 Ų2729 Ų2928%0.27816%0.157SC..EExtended strand (participates in β ladder)trans147.6-158.4174.900000113.7I411 D531I411-G534 WeakPolarHBondContact CD1-O 3.31Å; D531-G534 PolarHBondContact N-O 2.86Å; D531-G534 PolarHBondContact O-N 2.86Å; D531-G534 VanDerWaalsContact O-N 3.11Å; D531-G534 VanDerWaalsContact O-O 3.1Å; D531-G534 PolarHBondContact OD1-N 3.36Å; D531-G534 VanDerWaalsContact OD1-N 3.15Å
535N90.6Very high91.9Very high50 Ų5027.6 Ų27.627%0.26715%0.149SC..EExtended strand (participates in β ladder)trans-120.5152.1-173.6-65.6-39.5000112.4I411 R415 H528 L529 E530I411-N535 WeakPolarHBondContact CG2-O 3.14Å; R415-N535 VanDerWaalsContact CZ-O 3.31Å; R415-N535 PolarHBondContact NE-O 3.34Å; R415-N535 VanDerWaalsContact NE-O 3.11Å; R415-N535 PolarHBondContact NH2-O 3.16Å; H528-N535 WeakPolarHBondContact NE2-CB 3.43Å; L529-N535 CarbonylContact O-C 3.49Å; L529-N535 WeakPolarHBondContact O-CA 3.37Å; E530-N535 WeakPolarHBondContact CA-OD1 3.45Å; E530-N535 VanDerWaalsContact CB-OD1 3.23Å; E530-N535 WeakPolarHBondContact CB-OD1 3.11Å; E530-N535 WeakPolarHBondContact CG-OD1 3.46Å
536L92.7Very high91.6Very high2 Ų228.6 Ų28.61%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-142.9135.1177.8-171.372.1000110.4I411 R415 L470 L529 F627I411-L536 HydrophobicContact CD1-CB 3.93Å; I411-L536 HydrophobicContact CG1-CB 4.05Å; I411-L536 HydrophobicContact CG2-CB 3.9Å; R415-L536 HydrophobicContact CG-CD1 4.49Å; L470-L536 HydrophobicContact CD2-CD2 3.91Å; L529-L536 PolarHBondContact N-O 3.19Å; L529-L536 PolarHBondContact O-N 2.67Å; L536-F627 HydrophobicContact CD1-CD1 3.97Å; L536-F627 HydrophobicContact CD1-CD2 3.62Å; L536-F627 HydrophobicContact CD1-CE1 3.99Å; L536-F627 HydrophobicContact CD1-CE2 3.65Å; L536-F627 HydrophobicContact CD1-CG 3.78Å; L536-F627 HydrophobicContact CD1-CZ 3.83Å; L536-F627 HydrophobicContact CD2-CB 4.45Å; L536-F627 HydrophobicContact CD2-CD1 4.26Å; L536-F627 HydrophobicContact CD2-CG 4.3Å; L536-F627 HydrophobicContact CG-CD2 4.45Å; L536-F627 HydrophobicContact CG-CG 4.32Å
537I94.3Very high91.2Very high100 Ų10028 Ų2851%0.51316%0.159SC..EExtended strand (participates in β ladder)trans-93.8113.1167.9-60.7175.2000107.8F526 L527F526-I537 HydrophobicContact CB-CG2 4.1Å; F526-I537 HydrophobicContact CD1-CG2 4.07Å; L527-I537 WeakPolarHBondContact O-CA 3.47Å
538L95.4Very high91Very high0 Ų028.1 Ų28.10%016%0.159CC..EExtended strand (participates in β ladder)trans-99.1127.1177-171.669000109.8L527 L529 I600 V602 V604 F627 I629L527-L538 HydrophobicContact CB-CB 4.44Å; L527-L538 PolarHBondContact N-O 2.83Å; L527-L538 PolarHBondContact O-N 3.41Å; L529-L538 HydrophobicContact CD1-CB 3.72Å; L529-L538 HydrophobicContact CD1-CD2 3.86Å; L529-L538 HydrophobicContact CD1-CG 4.4Å; L529-L538 HydrophobicContact CG-CB 4.41Å; L538-I600 HydrophobicContact CD2-CD1 4.28Å; L538-V602 HydrophobicContact CD2-CG2 4.18Å; L538-V604 HydrophobicContact CD1-CG1 3.86Å; L538-V604 HydrophobicContact CD1-CG2 4.1Å; L538-F627 HydrophobicContact CD1-CB 3.95Å; L538-I629 HydrophobicContact CD2-CB 3.97Å; L538-I629 HydrophobicContact CD2-CG1 4.44Å; L538-I629 HydrophobicContact CG-CB 4.36Å
539T95.2Very high90.7Very high22 Ų2225.3 Ų25.314%0.13515%0.146CC..EExtended strand (participates in β ladder)trans-88.8128.8177.6-53.80000110.3L524 F526 T541 F627 H628 I629L524-T539 HydrophobicContact CD1-CG2 3.31Å; F526-T539 HydrophobicContact CD1-CG2 4.36Å; F526-T539 HydrophobicContact CE1-CG2 4.03Å; T539-T541 HydrophobicContact CG2-CG2 4Å; T539-F627 WeakPolarHBondContact CB-O 3.43Å; T539-F627 PolarHBondContact N-O 2.92Å; T539-H628 WeakPolarHBondContact O-CA 3.45Å; T539-I629 PolarHBondContact O-N 3.27Å
540V94.3Very high90.4Very high0 Ų026.3 Ų26.30%015%0.152CC..EExtended strand (participates in β ladder)trans-115.7124.2179.3-1760000108L524 F525 L527 N544 V545 L548 I629L524-V540 CarbonylContact C-O 3.59Å; L524-V540 WeakPolarHBondContact CA-O 3.12Å; F525-V540 HydrophobicContact CB-CB 4.28Å; F525-V540 PolarHBondContact N-O 3.37Å; F525-V540 PolarHBondContact O-N 2.77Å; L527-V540 HydrophobicContact CD1-CG2 3.71Å; L527-V540 HydrophobicContact CG-CG2 3.78Å; V540-N544 HydrophobicContact CG1-CB 3.9Å; V540-V545 HydrophobicContact CB-CG2 4.01Å; V540-V545 HydrophobicContact CG1-CB 4.23Å; V540-V545 HydrophobicContact CG1-CG2 3.5Å; V540-V545 VanDerWaalsContact CG1-CG2 3.5Å; V540-V545 WeakPolarHBondContact O-CG2 3.24Å; V540-L548 HydrophobicContact CG1-CD2 4.31Å; V540-I629 HydrophobicContact CB-CG2 3.98Å; V540-I629 HydrophobicContact CG1-CG2 3.82Å; V540-I629 HydrophobicContact CG2-CB 4.4Å; V540-I629 HydrophobicContact CG2-CG2 3.89Å
541T91.7Very high90.1Very high43 Ų4328 Ų2826%0.26417%0.165SC..EExtended strand (participates in β ladder)trans-129.1145.1-173.653.70000113.1P523 L524 T539 H543 N544P523-T541 CarbonylContact O-C 3.49Å; P523-T541 WeakPolarHBondContact O-CA 3.49Å; L524-T541 HydrophobicContact CD1-CG2 3.51Å; T539-T541 HydrophobicContact CG2-CG2 4Å; T541-H543 PolarHBondContact O-N 2.87Å; T541-N544 PolarHBondContact O-N 3.06Å; T541-N544 VanDerWaalsContact O-N 3.13Å
542G89.1Confident89.7Confident8 Ų829 Ų298%0.08217%0.171CC..THydrogen-bonded Turntrans57-123.2167.200000113.4P523 N544 V545 I546P523-G542 PolarHBondContact O-N 3.5Å; G542-N544 PolarHBondContact O-N 2.83Å; G542-N544 VanDerWaalsContact O-N 3.17Å; G542-V545 WeakPolarHBondContact O-CB 3.27Å; G542-V545 PolarHBondContact O-N 3.31Å; G542-I546 PolarHBondContact O-N 2.98Å
543H87Confident89.5Confident118 Ų11829 Ų2955%0.54617%0.17SC..Hα-helixtrans-57.1-31.4-179.2-172.964.5000113.1T541 V545 I546 S547T541-H543 PolarHBondContact O-N 2.87Å; H543-V545 VanDerWaalsContact C-N 3.33Å; H543-V545 PolarHBondContact O-N 3.03Å; H543-I546 PolarHBondContact O-N 3.46Å; H543-S547 WeakPolarHBondContact O-CB 3.31Å; H543-S547 PolarHBondContact O-N 2.84Å
544N89.7Confident89.2Confident28 Ų2833.2 Ų33.215%0.1519%0.191CC..Hα-helixtrans-69-32.5178.4-66.5-21.2000112V540 T541 G542 L548 I629V540-N544 HydrophobicContact CG1-CB 3.9Å; T541-N544 PolarHBondContact O-N 3.06Å; T541-N544 VanDerWaalsContact O-N 3.13Å; G542-N544 PolarHBondContact O-N 2.83Å; G542-N544 VanDerWaalsContact O-N 3.17Å; N544-L548 VanDerWaalsContact O-CB 3.23Å; N544-L548 WeakPolarHBondContact O-CB 3.44Å; N544-L548 PolarHBondContact O-N 3.05Å; N544-I629 HydrophobicContact CB-CG2 3.61Å; N544-I629 PolarHBondContact ND2-O 3.24Å
545V90.9Very high88.9Confident0 Ų037.1 Ų37.10%021%0.206CC..Hα-helixtrans-67.8-45.4172.4175.50000110P523 F525 V540 G542 H543 S547 L548 I549 W567P523-V545 HydrophobicContact CB-CB 3.87Å; P523-V545 HydrophobicContact CB-CG1 3.65Å; P523-V545 HydrophobicContact CB-CG2 4.11Å; F525-V545 HydrophobicContact CB-CG2 4.18Å; F525-V545 HydrophobicContact CD1-CG1 3.99Å; F525-V545 HydrophobicContact CD1-CG2 4.41Å; F525-V545 HydrophobicContact CD2-CG1 3.69Å; F525-V545 HydrophobicContact CE1-CG1 3.9Å; F525-V545 HydrophobicContact CE2-CG1 3.6Å; F525-V545 HydrophobicContact CG-CG1 3.88Å; F525-V545 HydrophobicContact CG-CG2 4.13Å; F525-V545 HydrophobicContact CZ-CG1 3.7Å; V540-V545 HydrophobicContact CB-CG2 4.01Å; V540-V545 HydrophobicContact CG1-CB 4.23Å; V540-V545 HydrophobicContact CG1-CG2 3.5Å; V540-V545 VanDerWaalsContact CG1-CG2 3.5Å; V540-V545 WeakPolarHBondContact O-CG2 3.24Å; G542-V545 WeakPolarHBondContact O-CB 3.27Å; G542-V545 PolarHBondContact O-N 3.31Å; H543-V545 VanDerWaalsContact C-N 3.33Å; H543-V545 PolarHBondContact O-N 3.03Å; V545-S547 PolarHBondContact O-N 3.18Å; V545-L548 WeakPolarHBondContact O-CB 3.18Å; V545-L548 PolarHBondContact O-N 3.16Å; V545-I549 HydrophobicContact CG1-CD1 3.7Å; V545-I549 HydrophobicContact CG1-CG1 4.44Å; V545-I549 WeakPolarHBondContact O-CG1 3.37Å; V545-I549 PolarHBondContact O-N 2.77Å; V545-W567 HydrophobicContact CG1-CH2 4.18Å
546I88.9Confident88.6Confident22 Ų2241.9 Ų41.911%0.11323%0.231CC..Hα-helixtrans-59.8-46.8177.8-67.4170.1000110.5G542 H543 L548 I549 N550 I561 N562 W567G542-I546 PolarHBondContact O-N 2.98Å; H543-I546 PolarHBondContact O-N 3.46Å; I546-L548 PolarHBondContact O-N 2.92Å; I546-I549 PolarHBondContact O-N 2.8Å; I546-N550 VanDerWaalsContact O-CB 3.3Å; I546-N550 WeakPolarHBondContact O-CB 3.29Å; I546-N550 VanDerWaalsContact O-CG 3.28Å; I546-N550 PolarHBondContact O-N 3.23Å; I546-N550 PolarHBondContact O-ND2 2.92Å; I546-I561 HydrophobicContact CG2-CG2 4.23Å; I546-N562 WeakPolarHBondContact CG2-OD1 3.43Å; I546-W567 HydrophobicContact CG1-CZ2 3.94Å
547S86.9Confident88.1Confident56 Ų5643.8 Ų43.839%0.39224%0.241SC..Hα-helixtrans-62-42.2176.5-174.90000112H543 V545 N550 S551H543-S547 WeakPolarHBondContact O-CB 3.31Å; H543-S547 PolarHBondContact O-N 2.84Å; V545-S547 PolarHBondContact O-N 3.18Å; S547-N550 PolarHBondContact O-N 3.23Å; S547-S551 PolarHBondContact O-N 2.79Å; S547-S551 VanDerWaalsContact O-N 3.11Å
548L88.7Confident87.7Confident1 Ų143.6 Ų43.61%0.00523%0.234CC..Hα-helixtrans-60.9-47.5177.3178.862.4000111.3L393 L394 L527 V540 N544 V545 I546 S551 L595L393-L548 HydrophobicContact CD2-CD1 3.97Å; L394-L548 HydrophobicContact CD1-CD1 3.89Å; L394-L548 HydrophobicContact CD2-CD1 4.24Å; L394-L548 HydrophobicContact CG-CD1 4.13Å; L527-L548 HydrophobicContact CD1-CD2 4.24Å; L527-L548 HydrophobicContact CD2-CD2 4.27Å; V540-L548 HydrophobicContact CG1-CD2 4.31Å; N544-L548 VanDerWaalsContact O-CB 3.23Å; N544-L548 WeakPolarHBondContact O-CB 3.44Å; N544-L548 PolarHBondContact O-N 3.05Å; V545-L548 WeakPolarHBondContact O-CB 3.18Å; V545-L548 PolarHBondContact O-N 3.16Å; I546-L548 PolarHBondContact O-N 2.92Å; L548-S551 PolarHBondContact O-N 2.75Å; L548-S551 PolarHBondContact O-OG 2.81Å; L548-L595 HydrophobicContact CD1-CD1 4.29Å; L548-L595 HydrophobicContact CD1-CD2 3.57Å; L548-L595 HydrophobicContact CD2-CD1 3.74Å; L548-L595 HydrophobicContact CD2-CD2 4.48Å; L548-L595 HydrophobicContact CG-CD1 3.94Å; L548-L595 HydrophobicContact CG-CD2 4.06Å
549I88Confident87.2Confident1 Ų147.8 Ų47.81%0.00526%0.261CS..Hα-helixtrans-66.5-44.8178.4-64.3162.7000110.6F525 V545 I546 S551 L552 V553 I561 W567 V588 Q591F525-I549 HydrophobicContact CE2-CD1 3.84Å; F525-I549 HydrophobicContact CE2-CG1 4.18Å; F525-I549 HydrophobicContact CZ-CD1 4Å; V545-I549 HydrophobicContact CG1-CD1 3.7Å; V545-I549 HydrophobicContact CG1-CG1 4.44Å; V545-I549 WeakPolarHBondContact O-CG1 3.37Å; V545-I549 PolarHBondContact O-N 2.77Å; I546-I549 PolarHBondContact O-N 2.8Å; I549-S551 PolarHBondContact O-N 2.89Å; I549-S551 VanDerWaalsContact O-N 3.12Å; I549-L552 PolarHBondContact O-N 3.44Å; I549-V553 HydrophobicContact CG2-CG2 3.82Å; I549-V553 VanDerWaalsContact O-CG2 3.28Å; I549-V553 WeakPolarHBondContact O-CG2 3.18Å; I549-V553 PolarHBondContact O-N 3.4Å; I549-I561 HydrophobicContact CB-CG2 4.42Å; I549-I561 HydrophobicContact CG2-CD1 3.73Å; I549-I561 HydrophobicContact CG2-CG1 4.31Å; I549-I561 HydrophobicContact CG2-CG2 4.14Å; I549-W567 HydrophobicContact CD1-CH2 3.5Å; I549-W567 VanDerWaalsContact CD1-CH2 3.5Å; I549-W567 HydrophobicContact CD1-CZ2 3.97Å; I549-V588 HydrophobicContact CD1-CG2 3.85Å; I549-Q591 HydrophobicContact CG2-CB 4.37Å; I549-Q591 HydrophobicContact CG2-CG 4.06Å
550N87.1Confident86.6Confident22 Ų2249 Ų4912%0.11827%0.27CS..Hα-helixtrans-59.3-25.4178.6-81.2-29.2000113.7I546 S547 L552 R558 N562I546-N550 VanDerWaalsContact O-CB 3.3Å; I546-N550 WeakPolarHBondContact O-CB 3.29Å; I546-N550 VanDerWaalsContact O-CG 3.28Å; I546-N550 PolarHBondContact O-N 3.23Å; I546-N550 PolarHBondContact O-ND2 2.92Å; S547-N550 PolarHBondContact O-N 3.23Å; N550-L552 VanDerWaalsContact C-N 3.26Å; N550-L552 PolarHBondContact O-N 3.04Å; N550-R558 HydrophobicContact CB-CG 4.46Å; N550-R558 PolarHBondContact O-NE 3.2Å; N550-R558 VanDerWaalsContact O-NE 3.15Å; N550-N562 PolarHBondContact ND2-OD1 2.75Å
551S84.1Confident86.1Confident50 Ų5049 Ų4935%0.3527%0.27SS..THydrogen-bonded Turntrans-71.2-20.1176.676.70000113.7S547 L548 I549S547-S551 PolarHBondContact O-N 2.79Å; S547-S551 VanDerWaalsContact O-N 3.11Å; L548-S551 PolarHBondContact O-N 2.75Å; L548-S551 PolarHBondContact O-OG 2.81Å; I549-S551 PolarHBondContact O-N 2.89Å; I549-S551 VanDerWaalsContact O-N 3.12Å
552L84.1Confident85.8Confident33 Ų3351 Ų5117%0.17328%0.279CS..THydrogen-bonded Turntrans-106.9-17.9-177-69.8176.1000114.2L393 I549 N550 Q591 R594 L595L393-L552 HydrophobicContact CD1-CD2 3.47Å; L393-L552 VanDerWaalsContact CD1-CD2 3.47Å; L393-L552 HydrophobicContact CD1-CG 4.09Å; L393-L552 HydrophobicContact CD2-CD2 4.3Å; I549-L552 PolarHBondContact O-N 3.44Å; N550-L552 VanDerWaalsContact C-N 3.26Å; N550-L552 PolarHBondContact O-N 3.04Å; L552-Q591 HydrophobicContact CD1-CB 4.28Å; L552-Q591 WeakPolarHBondContact CD1-O 3.37Å; L552-Q591 PolarHBondContact O-OE1 2.84Å; L552-R594 HydrophobicContact CD1-CB 4.21Å; L552-L595 HydrophobicContact CD1-CD1 4.37Å; L552-L595 HydrophobicContact CD1-CD2 3.37Å; L552-L595 HydrophobicContact CD1-CG 3.48Å; L552-L595 VanDerWaalsContact CD1-CG 3.48Å; L552-L595 HydrophobicContact CG-CD2 4.27Å
553V84.1Confident85.5Confident7 Ų754.2 Ų54.24%0.04229%0.294CS..SBendtrans-95.4145.5-171.6174.60000110.9I549 L557 I561 Q591I549-V553 HydrophobicContact CG2-CG2 3.82Å; I549-V553 VanDerWaalsContact O-CG2 3.28Å; I549-V553 WeakPolarHBondContact O-CG2 3.18Å; I549-V553 PolarHBondContact O-N 3.4Å; V553-L557 HydrophobicContact CG1-CB 3.22Å; V553-L557 HydrophobicContact CG1-CD1 3.76Å; V553-L557 HydrophobicContact CG1-CG 4.12Å; V553-I561 HydrophobicContact CB-CD1 3.88Å; V553-I561 HydrophobicContact CG1-CD1 3.65Å; V553-I561 HydrophobicContact CG2-CD1 3.76Å; V553-Q591 HydrophobicContact CG2-CG 3.33Å
554D81.3Confident85.1Confident108 Ų10854 Ų5458%0.57830%0.298SS*.  trans-57.3148.3173.9-59.6-42.6000111.7D556 L557D554-D556 PolarHBondContact O-N 2.8Å; D554-L557 PolarHBondContact O-N 3.01Å
555D83.3Confident84.3Confident109 Ų10956.5 Ų56.558%0.58331%0.314SS*.THydrogen-bonded Turntrans-54.3-31.9-174.5-70.4-19.2000113.1L557 R558D555-L557 VanDerWaalsContact C-N 3.32Å; D555-L557 PolarHBondContact O-N 2.89Å; D555-R558 IonicContact OD1-CZ 3.55Å; D555-R558 IonicContact OD1-NE 2.68Å; D555-R558 IonicContact OD1-NH1 3.47Å; D555-R558 PolarHBondContact OD1-NH1 3.29Å; D555-R558 IonicContact OD1-NH2 3.89Å; D555-R558 PolarHBondContact OD1-NH2 2.97Å
556D83.1Confident83.8Confident149 Ų14957 Ų5780%0.79732%0.315SS*.THydrogen-bonded Turntrans-68-25.1-178.2-67.2-26.3000114.1D554D554-D556 PolarHBondContact O-N 2.8Å
557L82.2Confident83.5Confident43 Ų4356 Ų5623%0.22531%0.311CS..THydrogen-bonded Turntrans-96.5-14.7-176.9-77.7175.2000113.1V553 D554 D555 P559 C560 I561 I587V553-L557 HydrophobicContact CG1-CB 3.22Å; V553-L557 HydrophobicContact CG1-CD1 3.76Å; V553-L557 HydrophobicContact CG1-CG 4.12Å; D554-L557 PolarHBondContact O-N 3.01Å; D555-L557 VanDerWaalsContact C-N 3.32Å; D555-L557 PolarHBondContact O-N 2.89Å; L557-P559 VanDerWaalsContact C-CD 3.43Å; L557-C560 WeakPolarHBondContact O-CB 3.34Å; L557-C560 PolarHBondContact O-N 3.46Å; L557-I561 PolarHBondContact O-N 3.3Å; L557-I561 VanDerWaalsContact O-N 3.16Å; L557-I587 HydrophobicContact CD1-CD1 4.26Å; L557-I587 HydrophobicContact CD1-CG2 4.42Å; L557-I587 HydrophobicContact CD2-CD1 4.15Å
558R86.5Confident82.9Confident96 Ų9655.6 Ų55.636%0.36231%0.305SS..Hα-helixtrans-55.4-40177.6-66.3-171.5178.4135.715.5114N550 D555 C560 I561 N562N550-R558 HydrophobicContact CB-CG 4.46Å; N550-R558 PolarHBondContact O-NE 3.2Å; N550-R558 VanDerWaalsContact O-NE 3.15Å; D555-R558 IonicContact OD1-CZ 3.55Å; D555-R558 IonicContact OD1-NE 2.68Å; D555-R558 IonicContact OD1-NH1 3.47Å; D555-R558 PolarHBondContact OD1-NH1 3.29Å; D555-R558 IonicContact OD1-NH2 3.89Å; D555-R558 PolarHBondContact OD1-NH2 2.97Å; R558-C560 PolarHBondContact O-N 3.19Å; R558-I561 PolarHBondContact O-N 2.86Å; R558-N562 WeakPolarHBondContact O-CB 3.09Å; R558-N562 VanDerWaalsContact O-CG 3.28Å; R558-N562 PolarHBondContact O-N 3Å; R558-N562 PolarHBondContact O-ND2 3.24Å; R558-N562 VanDerWaalsContact O-ND2 3.16Å
559P84.7Confident82.2Confident88 Ų8855.8 Ų55.857%0.57131%0.308SS*.Hα-helixtrans-61.9-32.9175.8-2334.7000113.1L557 N563L557-P559 VanDerWaalsContact C-CD 3.43Å; P559-N563 PolarHBondContact O-N 3.31Å
560C82.2Confident81.7Confident46 Ų4656.3 Ų56.331%0.31131%0.311SS..Hα-helixtrans-69.6-48176.7-61.30000110.9L557 R558 N562 N563 W566L557-C560 WeakPolarHBondContact O-CB 3.34Å; L557-C560 PolarHBondContact O-N 3.46Å; R558-C560 PolarHBondContact O-N 3.19Å; C560-N562 VanDerWaalsContact C-N 3.29Å; C560-N562 PolarHBondContact O-N 3.14Å; C560-N563 WeakPolarHBondContact O-CB 3.45Å; C560-N563 PolarHBondContact O-N 2.79Å; C560-N563 VanDerWaalsContact O-N 3.09Å; C560-W566 HydrophobicContact CB-CG 4.41Å; C560-W566 WeakPolarHBondContact O-CB 3.41Å; C560-W566 VanDerWaalsContact O-CG 3.32Å
561I84.2Confident81.1Confident2 Ų255.7 Ų55.71%0.0131%0.307CS..Hα-helixtrans-65.5-33.7-178-64.7156.6000112I546 I549 V553 L557 R558 N563 W567I546-I561 HydrophobicContact CG2-CG2 4.23Å; I549-I561 HydrophobicContact CB-CG2 4.42Å; I549-I561 HydrophobicContact CG2-CD1 3.73Å; I549-I561 HydrophobicContact CG2-CG1 4.31Å; I549-I561 HydrophobicContact CG2-CG2 4.14Å; V553-I561 HydrophobicContact CB-CD1 3.88Å; V553-I561 HydrophobicContact CG1-CD1 3.65Å; V553-I561 HydrophobicContact CG2-CD1 3.76Å; L557-I561 PolarHBondContact O-N 3.3Å; L557-I561 VanDerWaalsContact O-N 3.16Å; R558-I561 PolarHBondContact O-N 2.86Å; I561-N563 PolarHBondContact O-N 3.02Å; I561-W567 HydrophobicContact CG2-CZ2 4.23Å; I561-W567 PolarHBondContact O-NE1 2.87Å
562N86.1Confident80.6Confident85 Ų8555.5 Ų55.546%0.45530%0.3SS..THydrogen-bonded Turntrans-77.1-6.2176.8-69.9-28.5000113.8I546 N550 R558 C560I546-N562 WeakPolarHBondContact CG2-OD1 3.43Å; N550-N562 PolarHBondContact ND2-OD1 2.75Å; R558-N562 WeakPolarHBondContact O-CB 3.09Å; R558-N562 VanDerWaalsContact O-CG 3.28Å; R558-N562 PolarHBondContact O-N 3Å; R558-N562 PolarHBondContact O-ND2 3.24Å; R558-N562 VanDerWaalsContact O-ND2 3.16Å; C560-N562 VanDerWaalsContact C-N 3.29Å; C560-N562 PolarHBondContact O-N 3.14Å
563N83.5Confident79.8Confident74 Ų7458.9 Ų58.940%0.39632%0.315SS..  trans-95.2121.9179.4-175-7.1000110.5P559 C560 I561 T565 W566P559-N563 PolarHBondContact O-N 3.31Å; C560-N563 WeakPolarHBondContact O-CB 3.45Å; C560-N563 PolarHBondContact O-N 2.79Å; C560-N563 VanDerWaalsContact O-N 3.09Å; I561-N563 PolarHBondContact O-N 3.02Å; N563-T565 PolarHBondContact ND2-OG1 3.2Å; N563-T565 PolarHBondContact O-N 3.26Å; N563-T565 VanDerWaalsContact O-N 3.11Å; N563-T565 PolarHBondContact OD1-N 2.76Å; N563-T565 PolarHBondContact OD1-OG1 3.21Å; N563-T565 VanDerWaalsContact OD1-OG1 3.05Å; N563-W566 WeakPolarHBondContact O-CB 3.4Å; N563-W566 PolarHBondContact O-N 3.41Å
564D76.8Confident78.7Confident115 Ų11561.5 Ų61.562%0.61533%0.328SS*.Hα-helixtrans-53.4-33.3177.1-66.2-17.9000112.7W566 W567 T568D564-W566 PolarHBondContact O-N 2.56Å; D564-W567 PolarHBondContact O-N 2.89Å; D564-W567 VanDerWaalsContact O-N 3.14Å; D564-T568 PolarHBondContact O-N 3.2Å; D564-T568 PolarHBondContact O-OG1 3.49Å; D564-T568 VanDerWaalsContact O-OG1 3.09Å
565T74.8Confident77.7Confident79 Ų7964.1 Ų64.149%0.48533%0.334SS..Hα-helixtrans-63.1-27.6178.766.40000112.9N563 T568 G569N563-T565 PolarHBondContact ND2-OG1 3.2Å; N563-T565 PolarHBondContact O-N 3.26Å; N563-T565 VanDerWaalsContact O-N 3.11Å; N563-T565 PolarHBondContact OD1-N 2.76Å; N563-T565 PolarHBondContact OD1-OG1 3.21Å; N563-T565 VanDerWaalsContact OD1-OG1 3.05Å; T565-T568 PolarHBondContact O-N 3.41Å; T565-G569 PolarHBondContact O-N 3.45Å
566W79.6Confident76.5Confident10 Ų1065.4 Ų65.44%0.03834%0.336CS..Hα-helixtrans-66.9-41.7177.3-172.790.6000110.9C560 N563 D564 G569 L570 P584 I587 V588C560-W566 HydrophobicContact CB-CG 4.41Å; C560-W566 WeakPolarHBondContact O-CB 3.41Å; C560-W566 VanDerWaalsContact O-CG 3.32Å; N563-W566 WeakPolarHBondContact O-CB 3.4Å; N563-W566 PolarHBondContact O-N 3.41Å; D564-W566 PolarHBondContact O-N 2.56Å; W566-G569 PolarHBondContact O-N 3.49Å; W566-L570 HydrophobicContact CE3-CD1 4.19Å; W566-L570 HydrophobicContact CH2-CD1 3.93Å; W566-L570 HydrophobicContact CZ3-CD1 3.51Å; W566-L570 HydrophobicContact CZ3-CG 4.34Å; W566-L570 PolarHBondContact O-N 2.73Å; W566-P584 HydrophobicContact CD2-CB 4.31Å; W566-P584 HydrophobicContact CH2-CB 3.92Å; W566-P584 WeakPolarHBondContact CH2-O 3.48Å; W566-P584 VanDerWaalsContact CZ2-CA 3.47Å; W566-P584 HydrophobicContact CZ2-CB 3.45Å; W566-P584 VanDerWaalsContact CZ2-CB 3.45Å; W566-P584 WeakPolarHBondContact CZ2-O 3.43Å; W566-I587 HydrophobicContact CZ2-CB 4.44Å; W566-V588 HydrophobicContact CH2-CB 4.06Å; W566-V588 HydrophobicContact CH2-CG2 3.26Å; W566-V588 HydrophobicContact CZ2-CG2 4.36Å; W566-V588 HydrophobicContact CZ3-CG2 3.71Å
567W82.8Confident75.4Confident3 Ų359.8 Ų59.81%0.01131%0.306CS..Hα-helixtrans-70.2-36.1174.3-62.998.4000112.2L489 I521 P523 V545 I546 I549 I561 D564 G569 L570 V588L489-W567 HydrophobicContact CD2-CE3 3.63Å; L489-W567 HydrophobicContact CD2-CZ3 3.85Å; I521-W567 HydrophobicContact CB-CB 4.34Å; I521-W567 HydrophobicContact CD1-CB 4.23Å; I521-W567 HydrophobicContact CG2-CB 3.92Å; P523-W567 HydrophobicContact CB-CE3 4.27Å; P523-W567 HydrophobicContact CB-CH2 4.01Å; P523-W567 HydrophobicContact CB-CZ3 3.86Å; P523-W567 HydrophobicContact CG-CD2 3.72Å; P523-W567 HydrophobicContact CG-CE3 3.59Å; P523-W567 HydrophobicContact CG-CG 4.47Å; P523-W567 HydrophobicContact CG-CH2 3.77Å; P523-W567 HydrophobicContact CG-CZ2 3.92Å; P523-W567 HydrophobicContact CG-CZ3 3.62Å; V545-W567 HydrophobicContact CG1-CH2 4.18Å; I546-W567 HydrophobicContact CG1-CZ2 3.94Å; I549-W567 HydrophobicContact CD1-CH2 3.5Å; I549-W567 VanDerWaalsContact CD1-CH2 3.5Å; I549-W567 HydrophobicContact CD1-CZ2 3.97Å; I561-W567 HydrophobicContact CG2-CZ2 4.23Å; I561-W567 PolarHBondContact O-NE1 2.87Å; D564-W567 PolarHBondContact O-N 2.89Å; D564-W567 VanDerWaalsContact O-N 3.14Å; W567-G569 VanDerWaalsContact C-N 3.28Å; W567-G569 PolarHBondContact O-N 2.85Å; W567-L570 HydrophobicContact CE3-CD1 3.66Å; W567-L570 HydrophobicContact CZ3-CD1 4Å; W567-L570 WeakPolarHBondContact O-CB 3.21Å; W567-L570 PolarHBondContact O-N 3.02Å; W567-L570 VanDerWaalsContact O-N 3.16Å; W567-V588 HydrophobicContact CH2-CG2 4.16Å; W567-V588 HydrophobicContact CZ3-CG2 4.39Å
568T74.8Confident74.5Confident46 Ų4663.6 Ų63.628%0.28232%0.323SS..Hα-helixtrans-60.5-40.5171.7-52.80000111.6I521 D564 T565 L570 I571 F572I521-T568 HydrophobicContact CD1-CG2 4.44Å; I521-T568 VanDerWaalsContact CD1-N 3.28Å; I521-T568 WeakPolarHBondContact CD1-OG1 3.45Å; D564-T568 PolarHBondContact O-N 3.2Å; D564-T568 PolarHBondContact O-OG1 3.49Å; D564-T568 VanDerWaalsContact O-OG1 3.09Å; T565-T568 PolarHBondContact O-N 3.41Å; T568-L570 PolarHBondContact O-N 3.48Å; T568-I571 PolarHBondContact O-N 2.83Å; T568-I571 VanDerWaalsContact O-N 3.13Å; T568-F572 HydrophobicContact CG2-CD2 3.59Å; T568-F572 HydrophobicContact CG2-CE2 3.96Å; T568-F572 WeakPolarHBondContact O-CD2 3.36Å; T568-F572 PolarHBondContact O-N 2.96Å; T568-F572 VanDerWaalsContact O-N 3.09Å
569G73.2Confident73.3Confident6 Ų665.8 Ų65.86%0.06234%0.342CS..Hα-helixtrans-59.6-27.5175.200000114.8T565 W566 W567 E573T565-G569 PolarHBondContact O-N 3.45Å; W566-G569 PolarHBondContact O-N 3.49Å; W567-G569 VanDerWaalsContact C-N 3.28Å; W567-G569 PolarHBondContact O-N 2.85Å; G569-E573 WeakPolarHBondContact O-CA 3.46Å; G569-E573 PolarHBondContact O-N 3.33Å; G569-E573 VanDerWaalsContact O-N 3.12Å
570L78.4Confident72.4Confident12 Ų1267.2 Ų67.26%0.06334%0.343CS..Hα-helixtrans-71.6-31.6176-76.4170.7000113.3L485 L489 W566 W567 T568 P584 D585L485-L570 HydrophobicContact CD2-CD1 4.41Å; L485-L570 HydrophobicContact CD2-CD2 3.85Å; L489-L570 HydrophobicContact CD1-CB 3.7Å; L489-L570 HydrophobicContact CD1-CD1 4.14Å; W566-L570 HydrophobicContact CE3-CD1 4.19Å; W566-L570 HydrophobicContact CH2-CD1 3.93Å; W566-L570 HydrophobicContact CZ3-CD1 3.51Å; W566-L570 HydrophobicContact CZ3-CG 4.34Å; W566-L570 PolarHBondContact O-N 2.73Å; W567-L570 HydrophobicContact CE3-CD1 3.66Å; W567-L570 HydrophobicContact CZ3-CD1 4Å; W567-L570 WeakPolarHBondContact O-CB 3.21Å; W567-L570 PolarHBondContact O-N 3.02Å; W567-L570 VanDerWaalsContact O-N 3.16Å; T568-L570 PolarHBondContact O-N 3.48Å; L570-P584 HydrophobicContact CD2-CB 3.6Å; L570-P584 HydrophobicContact CG-CB 3.92Å; L570-D585 VanDerWaalsContact CD2-CA 3.5Å; L570-D585 HydrophobicContact CD2-CB 3.8Å
571I74.4Confident71.8Confident9 Ų968.4 Ų68.45%0.04636%0.363CS..Hα-helixtrans-83-51.4179.4-60.6-179000109.7L489 L491 I521 T568L489-I571 HydrophobicContact CB-CD1 4.09Å; L489-I571 HydrophobicContact CB-CG1 4.31Å; L489-I571 HydrophobicContact CD1-CD1 4.3Å; L489-I571 HydrophobicContact CD1-CG1 3.72Å; L491-I571 HydrophobicContact CD1-CD1 3.99Å; L491-I571 HydrophobicContact CD2-CD1 4.42Å; L491-I571 HydrophobicContact CG-CD1 4.11Å; I521-I571 HydrophobicContact CD1-CD1 3.9Å; I521-I571 HydrophobicContact CG1-CD1 4.06Å; T568-I571 PolarHBondContact O-N 2.83Å; T568-I571 VanDerWaalsContact O-N 3.13Å
572F72.3Confident71.1Confident46 Ų4670.9 Ų70.920%0.20238%0.376CS..Hα-helixtrans-9710-169.6-61.1-77.3000115I505 D509 A511 T568 M574I505-F572 HydrophobicContact CG2-CE1 4.13Å; I505-F572 HydrophobicContact CG2-CZ 4.44Å; D509-F572 WeakPolarHBondContact O-CE1 3.35Å; A511-F572 HydrophobicContact CB-CZ 4.32Å; T568-F572 HydrophobicContact CG2-CD2 3.59Å; T568-F572 HydrophobicContact CG2-CE2 3.96Å; T568-F572 WeakPolarHBondContact O-CD2 3.36Å; T568-F572 PolarHBondContact O-N 2.96Å; T568-F572 VanDerWaalsContact O-N 3.09Å; F572-M574 VanDerWaalsContact C-N 3.31Å; F572-M574 PolarHBondContact O-N 3.05Å; F572-M574 VanDerWaalsContact O-N 3.16Å
573E67Low70.7Confident104 Ų10468.7 Ų68.749%0.48637%0.367SS..THydrogen-bonded Turntrans47.547.9177.1-62.1-174.6-172.300113.8K486 G569 K575K486-E573 IonicContact NZ-OE1 3.01Å; K486-E573 PolarHBondContact NZ-OE1 2.99Å; G569-E573 WeakPolarHBondContact O-CA 3.46Å; G569-E573 PolarHBondContact O-N 3.33Å; G569-E573 VanDerWaalsContact O-N 3.12Å; E573-K575 PolarHBondContact O-N 2.84Å; E573-K575 VanDerWaalsContact O-N 3.09Å
574M61.1Low70.5Confident62 Ų6265.7 Ų65.731%0.30535%0.352SS..  trans-54.9117.7-173.9-70.3-178.776.700112F572 E576 L577F572-M574 VanDerWaalsContact C-N 3.31Å; F572-M574 PolarHBondContact O-N 3.05Å; F572-M574 VanDerWaalsContact O-N 3.16Å; M574-E576 PolarHBondContact O-N 3.48Å; M574-L577 HydrophobicContact CB-CD1 4.39Å; M574-L577 PolarHBondContact O-N 3.03Å
575K60.7Low70.8Confident163 Ų16361.9 Ų61.971%0.70933%0.331SS*.Hα-helixtrans-53.4-26.7178.6-68.7179.9179.9172.80113.8E573 L577 Q578 N579E573-K575 PolarHBondContact O-N 2.84Å; E573-K575 VanDerWaalsContact O-N 3.09Å; K575-L577 VanDerWaalsContact C-N 3.31Å; K575-L577 PolarHBondContact O-N 3.19Å; K575-Q578 PolarHBondContact O-N 3.04Å; K575-N579 PolarHBondContact O-N 3.44Å
576E59.3Low71.1Confident135 Ų13564.7 Ų64.763%0.63134%0.337SS*.Hα-helixtrans-61.9-36178.6-64.9175.8172.200112.7M574M574-E576 PolarHBondContact O-N 3.48Å
577L60Low71.3Confident31 Ų3165.3 Ų65.316%0.16234%0.341CS..Hα-helixtrans-73.2-37.3177.3-70.1162.7000111.6M574 K575 N579 I580 P584M574-L577 HydrophobicContact CB-CD1 4.39Å; M574-L577 PolarHBondContact O-N 3.03Å; K575-L577 VanDerWaalsContact C-N 3.31Å; K575-L577 PolarHBondContact O-N 3.19Å; L577-N579 VanDerWaalsContact C-N 3.26Å; L577-N579 PolarHBondContact O-N 2.87Å; L577-I580 PolarHBondContact O-N 2.83Å; L577-I580 VanDerWaalsContact O-N 3.14Å; L577-P584 HydrophobicContact CB-CG 4.35Å; L577-P584 HydrophobicContact CD1-CG 3.62Å; L577-P584 HydrophobicContact CD2-CG 4.29Å; L577-P584 HydrophobicContact CG-CG 4.29Å
578Q62.3Low71.4Confident124 Ų12465.1 Ų65.158%0.57934%0.34SS*.Hα-helixtrans-60.9-36.5175.8-63.7-179.9-2.300111.8K575 I580 G581K575-Q578 PolarHBondContact O-N 3.04Å; Q578-I580 PolarHBondContact O-N 3.13Å; Q578-G581 PolarHBondContact O-N 2.81Å; Q578-G581 VanDerWaalsContact O-N 3.11Å
579N62Low72Confident141 Ų14163.2 Ų63.275%0.75433%0.328SS*.Hα-helixtrans-65.9-23.5178.2-72.1-20000113.8K575 L577 G581K575-N579 PolarHBondContact O-N 3.44Å; L577-N579 VanDerWaalsContact C-N 3.26Å; L577-N579 PolarHBondContact O-N 2.87Å; N579-G581 VanDerWaalsContact C-N 3.33Å
580I65.9Low72.6Confident119 Ų11967 Ų6761%0.6134%0.344SS*.THydrogen-bonded Turntrans-88.8-5.9178.4-53.7170.6000110.7L577 Q578 I582L577-I580 PolarHBondContact O-N 2.83Å; L577-I580 VanDerWaalsContact O-N 3.14Å; Q578-I580 PolarHBondContact O-N 3.13Å; I580-I582 HydrophobicContact CB-CD1 4.48Å; I580-I582 HydrophobicContact CB-CG1 4.49Å; I580-I582 HydrophobicContact CG2-CD1 3.67Å; I580-I582 HydrophobicContact CG2-CG1 3.99Å; I580-I582 PolarHBondContact O-N 3.5Å
581G68.7Low72.9Confident70 Ų7066.7 Ų66.772%0.72234%0.342SS*.THydrogen-bonded Turntrans71.513.7-175.900000113.6Q578 N579Q578-G581 PolarHBondContact O-N 2.81Å; Q578-G581 VanDerWaalsContact O-N 3.11Å; N579-G581 VanDerWaalsContact C-N 3.33Å
582I70Confident73.4Confident54 Ų5466.2 Ų66.228%0.27734%0.34SS..  trans-97.4128.2177.1-64.9174.5000108.1I580 P584 I587I580-I582 HydrophobicContact CB-CD1 4.48Å; I580-I582 HydrophobicContact CB-CG1 4.49Å; I580-I582 HydrophobicContact CG2-CD1 3.67Å; I580-I582 HydrophobicContact CG2-CG1 3.99Å; I580-I582 PolarHBondContact O-N 3.5Å; I582-P584 WeakPolarHBondContact O-CD 3.25Å; I582-I587 HydrophobicContact CG2-CD1 3.57Å
583S78Confident74Confident39 Ų3968.9 Ų68.927%0.27335%0.349SS..  trans-10897.4174.6-158.10000107.5D585 K586 I587S583-D585 WeakPolarHBondContact CB-OD1 3.46Å; S583-D585 PolarHBondContact O-N 3.36Å; S583-D585 PolarHBondContact OG-OD1 2.81Å; S583-K586 PolarHBondContact O-N 3.46Å; S583-K586 VanDerWaalsContact O-N 3.1Å; S583-K586 WeakPolarHBondContact OG-CG 3.47Å; S583-I587 PolarHBondContact O-N 3.25Å; S583-I587 VanDerWaalsContact O-N 3.11Å
584P79.5Confident74.8Confident11 Ų1168.9 Ų68.97%0.07134%0.344CS..Hα-helixtrans-54.3-38.6-175.6-29.737.5000113.4W566 L570 L577 I582 I587 V588W566-P584 HydrophobicContact CD2-CB 4.31Å; W566-P584 HydrophobicContact CH2-CB 3.92Å; W566-P584 WeakPolarHBondContact CH2-O 3.48Å; W566-P584 VanDerWaalsContact CZ2-CA 3.47Å; W566-P584 HydrophobicContact CZ2-CB 3.45Å; W566-P584 VanDerWaalsContact CZ2-CB 3.45Å; W566-P584 WeakPolarHBondContact CZ2-O 3.43Å; L570-P584 HydrophobicContact CD2-CB 3.6Å; L570-P584 HydrophobicContact CG-CB 3.92Å; L577-P584 HydrophobicContact CB-CG 4.35Å; L577-P584 HydrophobicContact CD1-CG 3.62Å; L577-P584 HydrophobicContact CD2-CG 4.29Å; L577-P584 HydrophobicContact CG-CG 4.29Å; I582-P584 WeakPolarHBondContact O-CD 3.25Å; P584-I587 PolarHBondContact O-N 3.45Å; P584-V588 PolarHBondContact O-N 3.36Å
585D82.3Confident76Confident35 Ų3566 Ų6619%0.18733%0.33CS..Hα-helixtrans-61.3-47.2177.561.3-49.6000111.2V482 L485 L570 S583 I587 V588 L589V482-D585 HydrophobicContact CG2-CB 4.35Å; L485-D585 HydrophobicContact CD2-CB 4Å; L570-D585 VanDerWaalsContact CD2-CA 3.5Å; L570-D585 HydrophobicContact CD2-CB 3.8Å; S583-D585 WeakPolarHBondContact CB-OD1 3.46Å; S583-D585 PolarHBondContact O-N 3.36Å; S583-D585 PolarHBondContact OG-OD1 2.81Å; D585-I587 VanDerWaalsContact C-N 3.32Å; D585-I587 PolarHBondContact O-N 3.23Å; D585-V588 PolarHBondContact O-N 2.86Å; D585-L589 VanDerWaalsContact O-CB 3.3Å; D585-L589 WeakPolarHBondContact O-CB 3.39Å; D585-L589 WeakPolarHBondContact O-CG 3.45Å; D585-L589 PolarHBondContact O-N 3.19Å
586K81.8Confident77.2Confident138 Ų13859.5 Ų59.560%0.630%0.303SS*.Hα-helixtrans-63.2-40.6177.6-64.8-176.7-174.9176.80111.4S583 E590S583-K586 PolarHBondContact O-N 3.46Å; S583-K586 VanDerWaalsContact O-N 3.1Å; S583-K586 WeakPolarHBondContact OG-CG 3.47Å; K586-E590 WeakPolarHBondContact O-CB 3.2Å; K586-E590 PolarHBondContact O-N 3.18Å
587I83Confident78.4Confident23 Ų2353.3 Ų53.312%0.11828%0.275CS..Hα-helixtrans-61.7-52.8178.1-67.7177.5000110L557 W566 I582 S583 P584 D585 L589 E590 Q591L557-I587 HydrophobicContact CD1-CD1 4.26Å; L557-I587 HydrophobicContact CD1-CG2 4.42Å; L557-I587 HydrophobicContact CD2-CD1 4.15Å; W566-I587 HydrophobicContact CZ2-CB 4.44Å; I582-I587 HydrophobicContact CG2-CD1 3.57Å; S583-I587 PolarHBondContact O-N 3.25Å; S583-I587 VanDerWaalsContact O-N 3.11Å; P584-I587 PolarHBondContact O-N 3.45Å; D585-I587 VanDerWaalsContact C-N 3.32Å; D585-I587 PolarHBondContact O-N 3.23Å; I587-L589 PolarHBondContact O-N 3.27Å; I587-E590 PolarHBondContact O-N 3.06Å; I587-Q591 VanDerWaalsContact O-CG 3.28Å; I587-Q591 WeakPolarHBondContact O-CG 3.31Å; I587-Q591 PolarHBondContact O-N 3.31Å; I587-Q591 PolarHBondContact O-NE2 2.79Å
588V85.8Confident79.7Confident0 Ų054.1 Ų54.10%028%0.278CS..Hα-helixtrans-61.8-44.8-1801480000112L485 F525 I549 W566 W567 P584 D585 E590 Q591 C592L485-V588 HydrophobicContact CD1-CG1 3.64Å; L485-V588 HydrophobicContact CD2-CB 4.47Å; L485-V588 HydrophobicContact CD2-CG1 3.96Å; L485-V588 HydrophobicContact CG-CG1 4.48Å; F525-V588 HydrophobicContact CE2-CG1 4.48Å; F525-V588 HydrophobicContact CZ-CG1 3.78Å; I549-V588 HydrophobicContact CD1-CG2 3.85Å; W566-V588 HydrophobicContact CH2-CB 4.06Å; W566-V588 HydrophobicContact CH2-CG2 3.26Å; W566-V588 HydrophobicContact CZ2-CG2 4.36Å; W566-V588 HydrophobicContact CZ3-CG2 3.71Å; W567-V588 HydrophobicContact CH2-CG2 4.16Å; W567-V588 HydrophobicContact CZ3-CG2 4.39Å; P584-V588 PolarHBondContact O-N 3.36Å; D585-V588 PolarHBondContact O-N 2.86Å; V588-E590 VanDerWaalsContact C-N 3.32Å; V588-E590 PolarHBondContact O-N 3.31Å; V588-Q591 PolarHBondContact O-N 2.97Å; V588-C592 PolarHBondContact O-N 3.25Å; V588-C592 PolarHBondContact O-SG 2.93Å
589L86.6Confident81.2Confident6 Ų648.5 Ų48.53%0.03125%0.251CS..Hα-helixtrans-66.7-34.9179.4-68176.6000112.1P479 V482 L485 D585 I587 C592 R593P479-L589 HydrophobicContact CB-CD2 4.33Å; P479-L589 HydrophobicContact CG-CD2 4.42Å; V482-L589 HydrophobicContact CG2-CD1 3.85Å; L485-L589 HydrophobicContact CB-CD2 4.4Å; L485-L589 HydrophobicContact CD2-CG 4.36Å; D585-L589 VanDerWaalsContact O-CB 3.3Å; D585-L589 WeakPolarHBondContact O-CB 3.39Å; D585-L589 WeakPolarHBondContact O-CG 3.45Å; D585-L589 PolarHBondContact O-N 3.19Å; I587-L589 PolarHBondContact O-N 3.27Å; L589-C592 PolarHBondContact O-N 3.32Å; L589-R593 WeakPolarHBondContact O-CG 3.32Å; L589-R593 PolarHBondContact O-N 3.21Å
590E84.8Confident82.7Confident84 Ų8441.8 Ų41.839%0.39322%0.216SC..Hα-helixtrans-62.7-43.4171.6-174.2-175.6165.400111.1K586 I587 V588 C592 R593 R594K586-E590 WeakPolarHBondContact O-CB 3.2Å; K586-E590 PolarHBondContact O-N 3.18Å; I587-E590 PolarHBondContact O-N 3.06Å; V588-E590 VanDerWaalsContact C-N 3.32Å; V588-E590 PolarHBondContact O-N 3.31Å; E590-C592 VanDerWaalsContact C-N 3.34Å; E590-C592 PolarHBondContact O-N 3.34Å; E590-R593 PolarHBondContact O-N 3.26Å; E590-R594 WeakPolarHBondContact O-CG 3.28Å; E590-R594 PolarHBondContact O-N 3.32Å; E590-R594 IonicContact OE1-CZ 2.62Å; E590-R594 IonicContact OE1-NE 3.37Å; E590-R594 PolarHBondContact OE1-NE 2.78Å; E590-R594 IonicContact OE1-NH2 2.64Å; E590-R594 PolarHBondContact OE1-NH2 3.13Å
591Q85.1Confident84.1Confident6 Ų636.5 Ų36.53%0.02819%0.188CC..Hα-helixtrans-65.7-38.9175.7-57.2-35.6-62.300111.9I549 L552 V553 I587 V588 R593 R594 L595I549-Q591 HydrophobicContact CG2-CB 4.37Å; I549-Q591 HydrophobicContact CG2-CG 4.06Å; L552-Q591 HydrophobicContact CD1-CB 4.28Å; L552-Q591 WeakPolarHBondContact CD1-O 3.37Å; L552-Q591 PolarHBondContact O-OE1 2.84Å; V553-Q591 HydrophobicContact CG2-CG 3.33Å; I587-Q591 VanDerWaalsContact O-CG 3.28Å; I587-Q591 WeakPolarHBondContact O-CG 3.31Å; I587-Q591 PolarHBondContact O-N 3.31Å; I587-Q591 PolarHBondContact O-NE2 2.79Å; V588-Q591 PolarHBondContact O-N 2.97Å; Q591-R593 VanDerWaalsContact C-N 3.27Å; Q591-R593 PolarHBondContact O-N 3.25Å; Q591-R594 WeakPolarHBondContact O-CB 3.29Å; Q591-R594 PolarHBondContact O-N 3.01Å; Q591-R594 VanDerWaalsContact O-N 3.11Å; Q591-L595 WeakPolarHBondContact O-CG 3.34Å; Q591-L595 PolarHBondContact O-N 3.47Å; Q591-L595 VanDerWaalsContact O-N 3.08Å
592C86.4Confident85.3Confident0 Ų033.3 Ų33.30%016%0.155CC..Hα-helixtrans-58.1-41.7173.6-65.80000111I477 P479 F525 V588 L589 E590 L595I477-C592 HydrophobicContact CD1-CB 3.92Å; I477-C592 HydrophobicContact CG1-CB 4.49Å; I477-C592 HydrophobicContact CG2-CB 4.13Å; P479-C592 WeakPolarHBondContact O-CB 3.39Å; F525-C592 VanDerWaalsContact CE2-SG 3.56Å; V588-C592 PolarHBondContact O-N 3.25Å; V588-C592 PolarHBondContact O-SG 2.93Å; L589-C592 PolarHBondContact O-N 3.32Å; E590-C592 VanDerWaalsContact C-N 3.34Å; E590-C592 PolarHBondContact O-N 3.34Å; C592-L595 WeakPolarHBondContact O-CB 3.43Å; C592-L595 PolarHBondContact O-N 2.57Å
593R83.7Confident86.4Confident102 Ų10230.7 Ų30.739%0.38514%0.142SC..Hα-helixtrans-65.9-38.4174.8-68.8172.2-164.8128.98112.7L480 L589 E590 Q591 L595 L596L480-R593 HydrophobicContact CD2-CG 4.1Å; L480-R593 PolarHBondContact O-NH2 2.79Å; L589-R593 WeakPolarHBondContact O-CG 3.32Å; L589-R593 PolarHBondContact O-N 3.21Å; E590-R593 PolarHBondContact O-N 3.26Å; Q591-R593 VanDerWaalsContact C-N 3.27Å; Q591-R593 PolarHBondContact O-N 3.25Å; R593-L595 PolarHBondContact O-N 3.45Å; R593-L596 WeakPolarHBondContact O-CB 3.39Å; R593-L596 PolarHBondContact O-N 2.87Å; R593-L596 VanDerWaalsContact O-N 3.15Å
594R84.3Confident87.2Confident104 Ų10428.9 Ų28.939%0.39213%0.129SC..Hα-helixtrans-64.2-22.2175.3-70.5177.8-176.9-172.2-0.3113.2L552 E590 Q591 L596 Q598L552-R594 HydrophobicContact CD1-CB 4.21Å; E590-R594 WeakPolarHBondContact O-CG 3.28Å; E590-R594 PolarHBondContact O-N 3.32Å; E590-R594 IonicContact OE1-CZ 2.62Å; E590-R594 IonicContact OE1-NE 3.37Å; E590-R594 PolarHBondContact OE1-NE 2.78Å; E590-R594 IonicContact OE1-NH2 2.64Å; E590-R594 PolarHBondContact OE1-NH2 3.13Å; Q591-R594 WeakPolarHBondContact O-CB 3.29Å; Q591-R594 PolarHBondContact O-N 3.01Å; Q591-R594 VanDerWaalsContact O-N 3.11Å; R594-L596 VanDerWaalsContact C-N 3.33Å; R594-Q598 VanDerWaalsContact O-CG 3.28Å; R594-Q598 WeakPolarHBondContact O-CG 3.48Å
595L86.3Confident87.9Confident1 Ų130 Ų301%0.00513%0.132CC..Hα-helixtrans-70-27.8174.2-69.7171.2000113L393 V474 I477 L527 L548 L552 Q591 C592 R593 G597 Q598L393-L595 HydrophobicContact CD2-CD2 3.13Å; V474-L595 WeakPolarHBondContact CB-O 3.34Å; V474-L595 HydrophobicContact CG1-CB 4.43Å; I477-L595 HydrophobicContact CD1-CB 4.25Å; I477-L595 HydrophobicContact CD1-CD1 3.29Å; I477-L595 HydrophobicContact CD1-CG 4.33Å; L527-L595 HydrophobicContact CD2-CD1 4.42Å; L548-L595 HydrophobicContact CD1-CD1 4.29Å; L548-L595 HydrophobicContact CD1-CD2 3.57Å; L548-L595 HydrophobicContact CD2-CD1 3.74Å; L548-L595 HydrophobicContact CD2-CD2 4.48Å; L548-L595 HydrophobicContact CG-CD1 3.94Å; L548-L595 HydrophobicContact CG-CD2 4.06Å; L552-L595 HydrophobicContact CD1-CD1 4.37Å; L552-L595 HydrophobicContact CD1-CD2 3.37Å; L552-L595 HydrophobicContact CD1-CG 3.48Å; L552-L595 VanDerWaalsContact CD1-CG 3.48Å; L552-L595 HydrophobicContact CG-CD2 4.27Å; Q591-L595 WeakPolarHBondContact O-CG 3.34Å; Q591-L595 PolarHBondContact O-N 3.47Å; Q591-L595 VanDerWaalsContact O-N 3.08Å; C592-L595 WeakPolarHBondContact O-CB 3.43Å; C592-L595 PolarHBondContact O-N 2.57Å; R593-L595 PolarHBondContact O-N 3.45Å; L595-G597 PolarHBondContact O-N 2.74Å; L595-Q598 VanDerWaalsContact O-CB 3.29Å; L595-Q598 WeakPolarHBondContact O-CB 3.49Å; L595-Q598 WeakPolarHBondContact O-CG 3.44Å; L595-Q598 PolarHBondContact O-N 3.1Å; L595-Q598 VanDerWaalsContact O-N 3.11Å
596L85.9Confident88.4Confident27 Ų2728.3 Ų28.314%0.14112%0.124CC..THydrogen-bonded Turntrans-59.4131.5-178.8-62.7173.7000110.2F281 I477 R593 R594 Q598F281-L596 HydrophobicContact CZ-CB 4.06Å; F281-L596 WeakPolarHBondContact CZ-O 3.44Å; I477-L596 HydrophobicContact CG2-CD2 4.01Å; I477-L596 HydrophobicContact CG2-CG 4.47Å; R593-L596 WeakPolarHBondContact O-CB 3.39Å; R593-L596 PolarHBondContact O-N 2.87Å; R593-L596 VanDerWaalsContact O-N 3.15Å; R594-L596 VanDerWaalsContact C-N 3.33Å; L596-Q598 PolarHBondContact O-N 2.88Å
597G83.8Confident88.9Confident4 Ų422 Ų224%0.04110%0.096CC..THydrogen-bonded Turntrans79.6-14.1-179.300000115.8F281 V474 L595F281-G597 VanDerWaalsContact CE1-N 3.29Å; F281-G597 VanDerWaalsContact CZ-CA 3.43Å; V474-G597 PolarHBondContact O-N 3.33Å; L595-G597 PolarHBondContact O-N 2.74Å
598Q88.8Confident89.3Confident49 Ų4921 Ų2123%0.2299%0.091CC..  trans-66153.9171.7-57.7-59.6-31.600109.4L393 R473 V474 R594 L595 L596L393-Q598 HydrophobicContact CB-CB 4.24Å; L393-Q598 HydrophobicContact CD2-CB 4.16Å; L393-Q598 HydrophobicContact CD2-CG 4.44Å; R473-Q598 WeakPolarHBondContact CA-O 3.35Å; V474-Q598 PolarHBondContact N-O 3.27Å; R594-Q598 VanDerWaalsContact O-CG 3.28Å; R594-Q598 WeakPolarHBondContact O-CG 3.48Å; L595-Q598 VanDerWaalsContact O-CB 3.29Å; L595-Q598 WeakPolarHBondContact O-CB 3.49Å; L595-Q598 WeakPolarHBondContact O-CG 3.44Å; L595-Q598 PolarHBondContact O-N 3.1Å; L595-Q598 VanDerWaalsContact O-N 3.11Å; L596-Q598 PolarHBondContact O-N 2.88Å
599W92.7Very high89.2Confident6 Ų622.2 Ų22.22%0.02310%0.1CC..EExtended strand (participates in β ladder)trans-112.7146.8171.973.1-77.6000110.7H237 A240 L241 R390 P391 P392 L393 C471 A472 R473 D601H237-W599 AromaticContact CD2-CH2 3.54Å; H237-W599 AromaticContact CD2-CZ3 3.82Å; H237-W599 AromaticContact NE2-CH2 3.46Å; H237-W599 WeakPolarHBondContact NE2-CH2 3.23Å; A240-W599 HydrophobicContact CB-CB 3.96Å; A240-W599 HydrophobicContact CB-CD2 4.06Å; A240-W599 HydrophobicContact CB-CE3 3.65Å; A240-W599 HydrophobicContact CB-CG 4.25Å; A240-W599 HydrophobicContact CB-CZ3 4.42Å; L241-W599 HydrophobicContact CB-CZ2 4.37Å; L241-W599 HydrophobicContact CD1-CZ2 4.2Å; R390-W599 PolarHBondContact O-NE1 2.93Å; P391-W599 PolarHBondContact O-NE1 3.49Å; P392-W599 VanDerWaalsContact CA-CE2 3.43Å; P392-W599 HydrophobicContact CB-CD2 3.9Å; P392-W599 HydrophobicContact CB-CE3 3.82Å; P392-W599 HydrophobicContact CB-CH2 3.49Å; P392-W599 VanDerWaalsContact CB-CH2 3.49Å; P392-W599 HydrophobicContact CB-CZ2 3.57Å; P392-W599 HydrophobicContact CB-CZ3 3.62Å; P392-W599 HydrophobicContact CG-CH2 3.68Å; P392-W599 HydrophobicContact CG-CZ2 3.82Å; P392-W599 HydrophobicContact CG-CZ3 4.24Å; P392-W599 VanDerWaalsContact N-CZ2 3.27Å; L393-W599 WeakPolarHBondContact CB-O 3.25Å; L393-W599 PolarHBondContact N-O 2.97Å; C471-W599 HydrophobicContact CB-CZ3 4.45Å; A472-W599 VanDerWaalsContact O-CA 3.31Å; A472-W599 WeakPolarHBondContact O-CA 3.42Å; R473-W599 HydrophobicContact CG-CB 3.59Å; W599-D601 HydrophobicContact CZ3-CB 4.19Å
600I93.9Very high88.9Confident0 Ų027.2 Ų27.20%012%0.122CC..EExtended strand (participates in β ladder)trans-119.4151.2-176.562.5171.9000109.7L393 L394 C471 A472 V474 L527 L529 L538 V602L393-I600 HydrophobicContact CB-CG2 4.44Å; L394-I600 HydrophobicContact CB-CB 4.36Å; L394-I600 HydrophobicContact CB-CG2 4.41Å; L394-I600 HydrophobicContact CD1-CG2 4.39Å; L394-I600 HydrophobicContact CG-CG2 4.31Å; C471-I600 VanDerWaalsContact CA-O 3.28Å; C471-I600 WeakPolarHBondContact CA-O 3.35Å; A472-I600 PolarHBondContact N-O 3.05Å; A472-I600 PolarHBondContact O-N 3.39Å; V474-I600 HydrophobicContact CG2-CG2 4.23Å; L527-I600 HydrophobicContact CD1-CD1 4.23Å; L529-I600 HydrophobicContact CD1-CD1 3.79Å; L529-I600 HydrophobicContact CD2-CD1 3.69Å; L529-I600 HydrophobicContact CD2-CG1 4.22Å; L529-I600 HydrophobicContact CG-CD1 4.42Å; L538-I600 HydrophobicContact CD2-CD1 4.28Å; I600-V602 HydrophobicContact CB-CG1 4.06Å; I600-V602 HydrophobicContact CD1-CG1 4.21Å; I600-V602 HydrophobicContact CD1-CG2 3.86Å; I600-V602 HydrophobicContact CG1-CG1 4.42Å; I600-V602 HydrophobicContact CG1-CG2 4.31Å
601D94.3Very high88.2Confident7 Ų732.1 Ų32.14%0.03714%0.142CC..EExtended strand (participates in β ladder)trans-130.497173.9178.99.7000108.6P392 L394 K395 R469 L470 C471 W599 W632P392-D601 HydrophobicContact CB-CB 4.05Å; L394-D601 CarbonylContact C-O 3.53Å; L394-D601 CarbonylContact O-C 3.58Å; L394-D601 WeakPolarHBondContact O-CA 3.42Å; L394-D601 VanDerWaalsContact O-CB 3.29Å; L394-D601 WeakPolarHBondContact O-CB 3.28Å; L394-D601 PolarHBondContact O-N 2.94Å; L394-D601 VanDerWaalsContact O-O 3.09Å; K395-D601 VanDerWaalsContact CA-O 3.31Å; K395-D601 WeakPolarHBondContact CA-O 3.07Å; R469-D601 IonicContact CZ-OD1 2.86Å; R469-D601 IonicContact CZ-OD2 3.85Å; R469-D601 IonicContact NE-OD1 3.88Å; R469-D601 PolarHBondContact NE-OD1 3.36Å; R469-D601 IonicContact NE-OD2 3.81Å; R469-D601 IonicContact NH2-OD1 2.65Å; R469-D601 PolarHBondContact NH2-OD1 2.66Å; R469-D601 IonicContact NH2-OD2 2.76Å; R469-D601 PolarHBondContact NH2-OD2 2.74Å; L470-D601 WeakPolarHBondContact O-CA 3.32Å; C471-D601 VanDerWaalsContact SG-CG 3.56Å; C471-D601 PolarHBondContact SG-OD1 2.96Å; C471-D601 VanDerWaalsContact SG-OD1 3.35Å; W599-D601 HydrophobicContact CZ3-CB 4.19Å; D601-W632 PolarHBondContact O-NE1 3.03Å
602V94Very high87Confident3 Ų333.4 Ų33.42%0.01815%0.151CC..EExtended strand (participates in β ladder)trans-134.3154.2-163.2-64.10000112.6L394 R469 L470 L538 I600 V604 I629L394-V602 HydrophobicContact CB-CG1 3.71Å; L394-V602 HydrophobicContact CD1-CG1 3.66Å; L394-V602 HydrophobicContact CG-CG1 4.37Å; R469-V602 WeakPolarHBondContact CA-O 3.46Å; L470-V602 HydrophobicContact CB-CG2 4.37Å; L470-V602 PolarHBondContact N-O 2.86Å; L470-V602 PolarHBondContact O-N 3.06Å; L538-V602 HydrophobicContact CD2-CG2 4.18Å; I600-V602 HydrophobicContact CB-CG1 4.06Å; I600-V602 HydrophobicContact CD1-CG1 4.21Å; I600-V602 HydrophobicContact CD1-CG2 3.86Å; I600-V602 HydrophobicContact CG1-CG1 4.42Å; I600-V602 HydrophobicContact CG1-CG2 4.31Å; V602-V604 HydrophobicContact CG2-CG2 4.14Å; V602-I629 HydrophobicContact CB-CD1 4.15Å; V602-I629 HydrophobicContact CB-CG1 4.06Å; V602-I629 HydrophobicContact CG1-CD1 3.7Å; V602-I629 HydrophobicContact CG1-CG1 4.18Å; V602-I629 HydrophobicContact CG2-CG1 4.45Å
603A93.8Very high85.3Confident0 Ų039.3 Ų39.30%018%0.181CC..EExtended strand (participates in β ladder)trans-79133163.600000109.7T468 N630 W632 V635T468-A603 CarbonylContact O-C 3.56Å; T468-A603 WeakPolarHBondContact O-CA 3.48Å; A603-N630 HydrophobicContact CB-CB 4.33Å; A603-N630 PolarHBondContact O-N 2.91Å; A603-W632 HydrophobicContact CB-CD2 4.06Å; A603-W632 HydrophobicContact CB-CE3 3.85Å; A603-W632 HydrophobicContact CB-CH2 3.92Å; A603-W632 HydrophobicContact CB-CZ2 4.14Å; A603-W632 HydrophobicContact CB-CZ3 3.77Å; A603-V635 HydrophobicContact CB-CG2 3.78Å
604V94.7Very high83.5Confident0 Ų035.8 Ų35.80%017%0.172CC..EExtended strand (participates in β ladder)trans-113.5119.7178.1179.80000108.7Y467 T468 L470 L538 V602 I606 F627 H628Y467-V604 WeakPolarHBondContact CA-O 3.42Å; T468-V604 HydrophobicContact CG2-CB 4.14Å; T468-V604 PolarHBondContact N-O 2.75Å; T468-V604 PolarHBondContact O-N 3.14Å; L470-V604 HydrophobicContact CB-CG2 3.53Å; L470-V604 HydrophobicContact CD2-CG2 3.83Å; L470-V604 HydrophobicContact CG-CG2 4.34Å; L538-V604 HydrophobicContact CD1-CG1 3.86Å; L538-V604 HydrophobicContact CD1-CG2 4.1Å; V602-V604 HydrophobicContact CG2-CG2 4.14Å; V604-I606 HydrophobicContact CG1-CG1 4.1Å; V604-F627 HydrophobicContact CG1-CB 4.32Å; V604-F627 HydrophobicContact CG1-CD1 4.29Å; V604-H628 CarbonylContact C-O 3.58Å; V604-H628 WeakPolarHBondContact CA-O 3.32Å
605K94.1Very high81.7Confident35 Ų3533.6 Ų33.615%0.15218%0.182CC..EExtended strand (participates in β ladder)trans-79.8119165.2-174.6-175-177.5-175.80107.7E460 V465 Y467 H628 N630E460-K605 IonicContact OE1-NZ 2.94Å; E460-K605 PolarHBondContact OE1-NZ 3.38Å; E460-K605 IonicContact OE2-NZ 3.35Å; E460-K605 PolarHBondContact OE2-NZ 3.36Å; V465-K605 HydrophobicContact CG1-CD 4.18Å; V465-K605 HydrophobicContact CG1-CG 3.79Å; Y467-K605 HydrophobicContact CD1-CB 3.95Å; Y467-K605 HydrophobicContact CD1-CG 4.32Å; Y467-K605 HydrophobicContact CE1-CB 3.69Å; Y467-K605 HydrophobicContact CE1-CD 4.28Å; Y467-K605 HydrophobicContact CE1-CG 3.75Å; K605-H628 HydrophobicContact CB-CB 4.34Å; K605-H628 PolarHBondContact N-O 3.19Å; K605-H628 PolarHBondContact O-N 2.86Å; K605-N630 HydrophobicContact CB-CB 4.4Å
606I93.8Very high79.7Confident0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-106.7129.6173.5-45.2171.9000107.4I414 I417 V465 V466 T468 V604 W608 Q626 F627I414-I606 HydrophobicContact CG2-CD1 3.7Å; I414-I606 HydrophobicContact CG2-CG1 4.36Å; I417-I606 HydrophobicContact CB-CD1 4.43Å; I417-I606 HydrophobicContact CD1-CD1 3.6Å; V465-I606 WeakPolarHBondContact CA-O 3.23Å; V466-I606 HydrophobicContact CG2-CB 3.87Å; V466-I606 HydrophobicContact CG2-CD1 3.96Å; V466-I606 HydrophobicContact CG2-CG1 4.23Å; V466-I606 PolarHBondContact N-O 3.09Å; V466-I606 PolarHBondContact O-N 3.44Å; T468-I606 HydrophobicContact CG2-CD1 3.83Å; T468-I606 HydrophobicContact CG2-CG1 4.37Å; V604-I606 HydrophobicContact CG1-CG1 4.1Å; I606-W608 HydrophobicContact CB-CZ3 4.48Å; I606-W608 HydrophobicContact CG2-CE3 4.1Å; I606-W608 HydrophobicContact CG2-CZ3 4.15Å; I606-Q626 WeakPolarHBondContact CA-O 3.14Å; I606-F627 HydrophobicContact CG1-CD1 4.11Å; I606-F627 HydrophobicContact CG1-CE1 4.28Å; I606-F627 HydrophobicContact CG2-CD1 4.11Å; I606-F627 HydrophobicContact CG2-CE1 3.8Å
607S91.7Very high77.3Confident4 Ų442.9 Ų42.93%0.02824%0.24CC..EExtended strand (participates in β ladder)trans-135.3142.8175.462.60000113.1N464 Q626N464-S607 VanDerWaalsContact O-CA 3.23Å; N464-S607 WeakPolarHBondContact O-CA 3.4Å; S607-Q626 PolarHBondContact N-O 3.17Å; S607-Q626 PolarHBondContact O-N 2.82Å
608W90.1Very high75Confident2 Ų249.9 Ų49.91%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-151.3156.5178.368.798.9000111.4P418 V421 L463 N464 V466 I606 D624 L625P418-W608 HydrophobicContact CB-CD2 3.95Å; P418-W608 HydrophobicContact CB-CE3 4.36Å; P418-W608 HydrophobicContact CB-CG 4.35Å; P418-W608 HydrophobicContact CB-CZ2 4.1Å; P418-W608 HydrophobicContact CG-CD2 4.02Å; P418-W608 HydrophobicContact CG-CE3 3.96Å; P418-W608 HydrophobicContact CG-CH2 4.47Å; P418-W608 HydrophobicContact CG-CZ3 4.2Å; V421-W608 HydrophobicContact CB-CH2 4.26Å; V421-W608 HydrophobicContact CB-CZ2 3.94Å; V421-W608 HydrophobicContact CG1-CH2 4.31Å; V421-W608 HydrophobicContact CG1-CZ2 3.87Å; V421-W608 HydrophobicContact CG2-CH2 4.17Å; V421-W608 HydrophobicContact CG2-CZ2 4.36Å; L463-W608 CarbonylContact C-O 3.37Å; L463-W608 VanDerWaalsContact CA-O 3.31Å; L463-W608 WeakPolarHBondContact CA-O 3.35Å; N464-W608 HydrophobicContact CB-CD2 3.68Å; N464-W608 HydrophobicContact CB-CE3 4.12Å; N464-W608 HydrophobicContact CB-CG 4.24Å; N464-W608 HydrophobicContact CB-CH2 3.88Å; N464-W608 HydrophobicContact CB-CZ2 3.41Å; N464-W608 VanDerWaalsContact CB-CZ2 3.41Å; N464-W608 HydrophobicContact CB-CZ3 4.21Å; N464-W608 PolarHBondContact N-O 2.68Å; N464-W608 PolarHBondContact ND2-NE1 3.28Å; N464-W608 PolarHBondContact O-N 2.95Å; V466-W608 HydrophobicContact CG1-CH2 3.9Å; V466-W608 HydrophobicContact CG1-CZ3 4.25Å; V466-W608 HydrophobicContact CG2-CH2 4.18Å; V466-W608 HydrophobicContact CG2-CZ3 3.87Å; I606-W608 HydrophobicContact CB-CZ3 4.48Å; I606-W608 HydrophobicContact CG2-CE3 4.1Å; I606-W608 HydrophobicContact CG2-CZ3 4.15Å; W608-D624 WeakPolarHBondContact CA-O 3.26Å; W608-L625 HydrophobicContact CB-CD2 3.54Å; W608-L625 HydrophobicContact CG-CD2 4.17Å
609S85.6Confident72.7Confident27 Ų2753.8 Ų53.819%0.18930%0.304CS..EExtended strand (participates in β ladder)trans-63.4135.5179.1-179.20000112.4K611 S612S609-K611 PolarHBondContact O-N 3.02Å; S609-K611 PolarHBondContact OG-N 2.96Å; S609-K611 VanDerWaalsContact OG-N 3.17Å; S609-S612 PolarHBondContact O-N 3.06Å; S609-S612 PolarHBondContact O-OG 3.44Å
610K79.6Confident70.2Confident111 Ų11162.2 Ų62.248%0.48334%0.343SS..THydrogen-bonded Turntrans-63.3-17.7169.2-76.9172.3175.5159.70113.4S461 Y462 L463 N464S461-K610 PolarHBondContact O-NZ 3.48Å; Y462-K610 VanDerWaalsContact O-CB 3.32Å; Y462-K610 WeakPolarHBondContact O-CB 3.25Å; Y462-K610 WeakPolarHBondContact O-CG 3.24Å; Y462-K610 PolarHBondContact O-N 3.44Å; L463-K610 WeakPolarHBondContact O-CE 3.42Å; L463-K610 PolarHBondContact O-NZ 3.35Å; N464-K610 WeakPolarHBondContact OD1-CE 3.47Å; N464-K610 WeakPolarHBondContact OD1-CG 3.34Å
611K69.4Low67.5Low187 Ų18768.1 Ų68.181%0.81338%0.375SS*.THydrogen-bonded Turntrans-84.6-15.3178.8-66.1-176.5179176.90113.2S609S609-K611 PolarHBondContact O-N 3.02Å; S609-K611 PolarHBondContact OG-N 2.96Å; S609-K611 VanDerWaalsContact OG-N 3.17Å
612S61.1Low65.4Low32 Ų3271.7 Ų71.722%0.22439%0.394CS..  trans-67.7136.4173.264.70000108.4S609 P614S609-S612 PolarHBondContact O-N 3.06Å; S609-S612 PolarHBondContact O-OG 3.44Å; S612-P614 VanDerWaalsContact O-CD 3.29Å; S612-P614 WeakPolarHBondContact O-CD 3.22Å
613I50.4Low63.5Low124 Ų12477.8 Ų77.864%0.63643%0.426SS*.  trans-107.391.1171.6-56171.8000106.6G615 T616I613-G615 PolarHBondContact O-N 3.23Å; I613-T616 PolarHBondContact O-OG1 2.83Å
614P46.4Very low62.5Low29 Ų2982.3 Ų82.319%0.18845%0.45CS..THydrogen-bonded Turntrans-69.2124.4174.4-24.639.7000110.3V419 N422 R426 S612V419-P614 HydrophobicContact CG2-CB 4.27Å; N422-P614 WeakPolarHBondContact ND2-CD 3.23Å; N422-P614 WeakPolarHBondContact ND2-CG 3.41Å; R426-P614 PolarHBondContact NH2-O 3.24Å; R426-P614 VanDerWaalsContact NH2-O 3.12Å; S612-P614 VanDerWaalsContact O-CD 3.29Å; S612-P614 WeakPolarHBondContact O-CD 3.22Å
615G46.3Very low62.1Low58 Ų5884.1 Ų84.160%0.59846%0.46SS*.THydrogen-bonded Turntrans133.2-14.8-176.400000114.3I613 T617I613-G615 PolarHBondContact O-N 3.23Å; G615-T617 PolarHBondContact O-N 3.19Å
616T43.4Very low61.9Low113 Ų11387.4 Ų87.469%0.69348%0.476SS*.SBendtrans-84.2104.7160.848.10000108.1I613 N618I613-T616 PolarHBondContact O-OG1 2.83Å; T616-N618 PolarHBondContact O-N 3.15Å
617T36.3Very low61.9Low110 Ų11088.1 Ų88.168%0.67548%0.479SS*.SBendtrans-53.990.8178.250.80000111.6G615G615-T617 PolarHBondContact O-N 3.19Å
618N34.1Very low61.9Low151 Ų15190.2 Ų90.281%0.80749%0.488SS*.  trans-14279.7150.1-92.6-9.4000105.4T616 E620T616-N618 PolarHBondContact O-N 3.15Å; N618-E620 PolarHBondContact O-N 3.48Å; N618-E620 VanDerWaalsContact O-N 3.1Å
619T41.7Very low62Low131 Ų13190.7 Ų90.780%0.80449%0.491SS*.THydrogen-bonded Turntrans-67.95.2-18038.40000114
620E39.5Very low62Low182 Ų18290.7 Ų90.785%0.8549%0.489SS*.THydrogen-bonded Turntrans-83.5-11.1-177.9-72.1-170.9161.500114.7N618N618-E620 PolarHBondContact O-N 3.48Å; N618-E620 VanDerWaalsContact O-N 3.1Å
621N38.4Very low62Low125 Ų12586.6 Ų86.667%0.66847%0.472SS*.  trans-115.575.4177-74.2-21.7000111.7N623N621-N623 PolarHBondContact O-N 3.24Å
622D50.1Low62.5Low81 Ų8179 Ų7943%0.43344%0.438SS..G310 helixtrans-59.93.4163.7-138.93.1000112.4R415 D624 L625R415-D622 IonicContact CZ-OD2 3.67Å; R415-D622 IonicContact NH1-OD2 2.8Å; R415-D622 PolarHBondContact NH1-OD2 3.01Å; D622-D624 VanDerWaalsContact C-N 3.3Å; D622-D624 PolarHBondContact O-N 3.45Å; D622-L625 PolarHBondContact O-N 3.47Å
623N53.5Low63.3Low131 Ų13182.7 Ų82.770%0.70146%0.455SS*.G310 helixtrans-70.4-12.9-166.6-69.3-19.9000115.6N621N621-N623 PolarHBondContact O-N 3.24Å
624D71.8Confident64.2Low95 Ų9584.2 Ų84.251%0.50846%0.458SS..G310 helixtrans-96.9-7.1-177.9-83.4-2.3000113.5W608 D622W608-D624 WeakPolarHBondContact CA-O 3.26Å; D622-D624 VanDerWaalsContact C-N 3.3Å; D622-D624 PolarHBondContact O-N 3.45Å
625L86.1Confident65Low38 Ų3885.4 Ų85.420%0.19946%0.464CS..  trans-92.4121.6178.7-60.4-173.7000110.7P418 W608 D622 F627P418-L625 HydrophobicContact CB-CD2 4.29Å; P418-L625 HydrophobicContact CG-CD1 4.29Å; P418-L625 HydrophobicContact CG-CD2 3.66Å; W608-L625 HydrophobicContact CB-CD2 3.54Å; W608-L625 HydrophobicContact CG-CD2 4.17Å; D622-L625 PolarHBondContact O-N 3.47Å; L625-F627 HydrophobicContact CB-CE2 3.74Å; L625-F627 HydrophobicContact CB-CZ 3.85Å; L625-F627 HydrophobicContact CD1-CZ 4.04Å
626Q90.6Very high65.9Low104 Ų10486.8 Ų86.849%0.48646%0.457SS..EExtended strand (participates in β ladder)trans-111.8127.5175.5-62.5-179.9-2.400110.4I606 S607I606-Q626 WeakPolarHBondContact CA-O 3.14Å; S607-Q626 PolarHBondContact N-O 3.17Å; S607-Q626 PolarHBondContact O-N 2.82Å
627F93.9Very high67.1Low16 Ų1685.4 Ų85.47%0.0745%0.445CS..EExtended strand (participates in β ladder)trans-114.7116178.6-54.5-84.2000109.3I414 R415 L536 L538 T539 V604 I606 L625I414-F627 HydrophobicContact CG2-CD1 4.16Å; I414-F627 HydrophobicContact CG2-CE1 3.82Å; R415-F627 HydrophobicContact CG-CZ 4.5Å; L536-F627 HydrophobicContact CD1-CD1 3.97Å; L536-F627 HydrophobicContact CD1-CD2 3.62Å; L536-F627 HydrophobicContact CD1-CE1 3.99Å; L536-F627 HydrophobicContact CD1-CE2 3.65Å; L536-F627 HydrophobicContact CD1-CG 3.78Å; L536-F627 HydrophobicContact CD1-CZ 3.83Å; L536-F627 HydrophobicContact CD2-CB 4.45Å; L536-F627 HydrophobicContact CD2-CD1 4.26Å; L536-F627 HydrophobicContact CD2-CG 4.3Å; L536-F627 HydrophobicContact CG-CD2 4.45Å; L536-F627 HydrophobicContact CG-CG 4.32Å; L538-F627 HydrophobicContact CD1-CB 3.95Å; T539-F627 WeakPolarHBondContact CB-O 3.43Å; T539-F627 PolarHBondContact N-O 2.92Å; V604-F627 HydrophobicContact CG1-CB 4.32Å; V604-F627 HydrophobicContact CG1-CD1 4.29Å; I606-F627 HydrophobicContact CG1-CD1 4.11Å; I606-F627 HydrophobicContact CG1-CE1 4.28Å; I606-F627 HydrophobicContact CG2-CD1 4.11Å; I606-F627 HydrophobicContact CG2-CE1 3.8Å; L625-F627 HydrophobicContact CB-CE2 3.74Å; L625-F627 HydrophobicContact CB-CZ 3.85Å; L625-F627 HydrophobicContact CD1-CZ 4.04Å
628H92.6Very high68.8Low47 Ų4784 Ų8422%0.21843%0.432CS..EExtended strand (participates in β ladder)trans-121.8139.5178.4-66.8-96.2000110.4T539 V604 K605 N630T539-H628 WeakPolarHBondContact O-CA 3.45Å; V604-H628 CarbonylContact C-O 3.58Å; V604-H628 WeakPolarHBondContact CA-O 3.32Å; K605-H628 HydrophobicContact CB-CB 4.34Å; K605-H628 PolarHBondContact N-O 3.19Å; K605-H628 PolarHBondContact O-N 2.86Å; H628-N630 PolarHBondContact O-N 3.47Å
629I91Very high70.9Confident12 Ų1280.1 Ų80.16%0.06241%0.41CS..EExtended strand (participates in β ladder)trans-65.4134164.9-165.3174.5000108.8L394 L538 T539 V540 N544 V602L394-I629 HydrophobicContact CD1-CD1 3.67Å; L538-I629 HydrophobicContact CD2-CB 3.97Å; L538-I629 HydrophobicContact CD2-CG1 4.44Å; L538-I629 HydrophobicContact CG-CB 4.36Å; T539-I629 PolarHBondContact O-N 3.27Å; V540-I629 HydrophobicContact CB-CG2 3.98Å; V540-I629 HydrophobicContact CG1-CG2 3.82Å; V540-I629 HydrophobicContact CG2-CB 4.4Å; V540-I629 HydrophobicContact CG2-CG2 3.89Å; N544-I629 HydrophobicContact CB-CG2 3.61Å; N544-I629 PolarHBondContact ND2-O 3.24Å; V602-I629 HydrophobicContact CB-CD1 4.15Å; V602-I629 HydrophobicContact CB-CG1 4.06Å; V602-I629 HydrophobicContact CG1-CD1 3.7Å; V602-I629 HydrophobicContact CG1-CG1 4.18Å; V602-I629 HydrophobicContact CG2-CG1 4.45Å
630N85Confident72.7Confident28 Ų2876.9 Ų76.915%0.1539%0.386CS..EExtended strand (participates in β ladder)trans-113.1144172.8-155.850.6000109.6Y467 A603 K605 H628 V635Y467-N630 HydrophobicContact CD1-CB 4.27Å; Y467-N630 HydrophobicContact CE1-CB 4.09Å; Y467-N630 VanDerWaalsContact CE1-ND2 3.29Å; Y467-N630 WeakPolarHBondContact CE1-ND2 3.32Å; A603-N630 HydrophobicContact CB-CB 4.33Å; A603-N630 PolarHBondContact O-N 2.91Å; K605-N630 HydrophobicContact CB-CB 4.4Å; H628-N630 PolarHBondContact O-N 3.47Å; N630-V635 HydrophobicContact CB-CG2 4.33Å; N630-V635 WeakPolarHBondContact ND2-CG2 3.33Å
631D80.4Confident74.9Confident24 Ų2469.9 Ų69.913%0.12836%0.355CS..  trans-71.5136.5171.6177.72.9000108.9K397 D633 F634K397-D631 IonicContact NZ-OD1 3.01Å; D631-D633 PolarHBondContact O-N 3.02Å; D631-D633 PolarHBondContact OD1-N 2.9Å; D631-D633 VanDerWaalsContact OD1-N 3.12Å; D631-F634 HydrophobicContact CB-CD2 3.85Å; D631-F634 HydrophobicContact CB-CE2 4.35Å; D631-F634 PolarHBondContact O-N 3.26Å; D631-F634 VanDerWaalsContact O-N 3.08Å
632W80.3Confident77.5Confident29 Ų2965.9 Ų65.911%0.1133%0.332CS..G310 helixtrans-59.7-27.2-180-73.1110000112.7P396 L401 L405 R469 D601 A603 F634 V635P396-W632 HydrophobicContact CB-CD2 4.17Å; P396-W632 HydrophobicContact CB-CG 4.45Å; P396-W632 HydrophobicContact CB-CZ2 4.42Å; P396-W632 HydrophobicContact CG-CD2 4.25Å; P396-W632 HydrophobicContact CG-CH2 4.09Å; P396-W632 HydrophobicContact CG-CZ2 3.61Å; L401-W632 HydrophobicContact CD2-CE3 3.77Å; L401-W632 HydrophobicContact CD2-CH2 3.93Å; L401-W632 HydrophobicContact CD2-CZ3 3.41Å; L401-W632 VanDerWaalsContact CD2-CZ3 3.41Å; L405-W632 HydrophobicContact CD1-CZ3 4.16Å; R469-W632 HydrophobicContact CB-CH2 4.19Å; R469-W632 HydrophobicContact CG-CH2 3.85Å; R469-W632 HydrophobicContact CG-CZ2 4.31Å; D601-W632 PolarHBondContact O-NE1 3.03Å; A603-W632 HydrophobicContact CB-CD2 4.06Å; A603-W632 HydrophobicContact CB-CE3 3.85Å; A603-W632 HydrophobicContact CB-CH2 3.92Å; A603-W632 HydrophobicContact CB-CZ2 4.14Å; A603-W632 HydrophobicContact CB-CZ3 3.77Å; W632-F634 PolarHBondContact O-N 2.81Å; W632-V635 PolarHBondContact O-N 3.16Å
633D77Confident79.6Confident108 Ų10864.8 Ų64.858%0.57832%0.324SS*.G310 helixtrans-69.9-17.3177.8-66.8-20.3000113K397 D631K397-D633 IonicContact NZ-OD1 3.8Å; K397-D633 IonicContact NZ-OD2 3.69Å; K397-D633 PolarHBondContact NZ-OD2 3.26Å; D631-D633 PolarHBondContact O-N 3.02Å; D631-D633 PolarHBondContact OD1-N 2.9Å; D631-D633 VanDerWaalsContact OD1-N 3.12Å
634F69.7Low81.8Confident157 Ų15759.3 Ų59.369%0.68929%0.293SS*.G310 helixtrans-95-9.3176.9-72.7-88.9000113.8D631 W632D631-F634 HydrophobicContact CB-CD2 3.85Å; D631-F634 HydrophobicContact CB-CE2 4.35Å; D631-F634 PolarHBondContact O-N 3.26Å; D631-F634 VanDerWaalsContact O-N 3.08Å; W632-F634 PolarHBondContact O-N 2.81Å
635V63.1Low82.7Confident53 Ų5356 Ų5632%0.32127%0.274SS..  trans-98.60-179.7-177.10000109.1L405 L451 Y467 A603 N630 W632L405-V635 HydrophobicContact CD1-CG1 3.25Å; L451-V635 HydrophobicContact CD2-CG1 4.29Å; Y467-V635 HydrophobicContact CD1-CG2 4.2Å; Y467-V635 HydrophobicContact CG-CG2 4.49Å; A603-V635 HydrophobicContact CB-CG2 3.78Å; N630-V635 HydrophobicContact CB-CG2 4.33Å; N630-V635 WeakPolarHBondContact ND2-CG2 3.33Å; W632-V635 PolarHBondContact O-N 3.16Å

Retrieved 635 of 635 residues in 553.2 ms (Link to these results)

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