F7GZR5_MACMU Loading...

Mitotic spindle assembly checkpoint protein MAD2B

AlphaFold DB , UniProt , Accession F7GZR5, Species MACMU (Macaca mulatta, Rhesus macaque), Gene n/a, Length 224 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
1M31.2Very low47.4Very low246 Ų246124.5 Ų124.5100%1.21263%0.633SS**  094.50-73.8-179.3-169.300107.6
2T37.5Very low50Low133 Ų133114.9 Ų114.982%0.81659%0.588SS**  trans-96.6106.1-178.26.90000108.2L4T2-L4 PolarHBondContact O-N 3.04Å
3T37Very low52.7Low133 Ų133112.5 Ų112.582%0.81657%0.573SS**  trans-66.394.4169.328.10000108.7T5T3-T5 PolarHBondContact O-N 3.37Å; T3-T5 VanDerWaalsContact O-N 3.17Å
4L38.4Very low55.1Low136 Ų136108.4 Ų108.471%0.71256%0.556SS**  trans-55114.7164.7-90.4145.4000108T2 D8T2-L4 PolarHBondContact O-N 3.04Å; L4-D8 HydrophobicContact CD2-CB 4.34Å
5T43.1Very low57.3Low66 Ų66101.4 Ų101.441%0.40552%0.52SS..  trans-81.7148.5-179.467.30000109.5T3 Q7 D8T3-T5 PolarHBondContact O-N 3.37Å; T3-T5 VanDerWaalsContact O-N 3.17Å; T5-Q7 PolarHBondContact O-N 3.25Å; T5-D8 PolarHBondContact N-OD2 3.47Å; T5-D8 WeakPolarHBondContact O-CB 3.47Å; T5-D8 PolarHBondContact O-N 3.49Å; T5-D8 VanDerWaalsContact OG1-CG 3.32Å; T5-D8 PolarHBondContact OG1-OD2 3.48Å
6R40.2Very low59.4Low218 Ų21895.1 Ų95.182%0.82349%0.488SS*.Hα-helixtrans-54.1-21179.4-170.3176.8175.7179.3-1.1114
7Q49.3Very low61.3Low139 Ų13993.8 Ų93.865%0.6548%0.482SS*.Hα-helixtrans-75.4-31.9174.3-70.9-177.5-18.100113T5 L9 F11T5-Q7 PolarHBondContact O-N 3.25Å; Q7-L9 VanDerWaalsContact C-N 3.34Å; Q7-F11 PolarHBondContact O-N 3.26Å
8D50.9Low63.1Low41 Ų4190.6 Ų90.622%0.21947%0.468CS..Hα-helixtrans-70.1-34.3177.7-54.8-47.8000110.9L4 T5 F11 G12 L107L4-D8 HydrophobicContact CD2-CB 4.34Å; T5-D8 PolarHBondContact N-OD2 3.47Å; T5-D8 WeakPolarHBondContact O-CB 3.47Å; T5-D8 PolarHBondContact O-N 3.49Å; T5-D8 VanDerWaalsContact OG1-CG 3.32Å; T5-D8 PolarHBondContact OG1-OD2 3.48Å; D8-F11 PolarHBondContact O-N 3.1Å; D8-G12 PolarHBondContact O-N 2.79Å; D8-L107 HydrophobicContact CB-CD1 3.97Å; D8-L107 WeakPolarHBondContact OD1-CD1 3.21Å
9L52Low64.7Low102 Ų10285.8 Ų85.853%0.53444%0.443SS..Hα-helixtrans-64.7-41.7176.3-75.1165.7000112.7Q7 F11 Q13Q7-L9 VanDerWaalsContact C-N 3.34Å; L9-F11 VanDerWaalsContact C-N 3.27Å; L9-F11 PolarHBondContact O-N 3.04Å; L9-Q13 WeakPolarHBondContact O-CG 3.3Å; L9-Q13 PolarHBondContact O-N 2.7Å
10N69.9Low66.3Low96 Ų9682.4 Ų82.451%0.51343%0.426SS..Hα-helixtrans-68.4-30.4176.8-73.6-4.9000111.9V14N10-V14 WeakPolarHBondContact O-CG2 3.47Å; N10-V14 PolarHBondContact O-N 3.31Å; N10-V14 VanDerWaalsContact O-N 3.16Å
11F72.2Confident67.7Low59 Ų5982.1 Ų82.126%0.25942%0.423SS..Hα-helixtrans-73.6-44-176.5-169-89.7000112.5Q7 D8 L9 Q13 V14 V15 L107 I209Q7-F11 PolarHBondContact O-N 3.26Å; D8-F11 PolarHBondContact O-N 3.1Å; L9-F11 VanDerWaalsContact C-N 3.27Å; L9-F11 PolarHBondContact O-N 3.04Å; F11-Q13 PolarHBondContact O-N 3.37Å; F11-V14 PolarHBondContact O-N 2.64Å; F11-V15 HydrophobicContact CD1-CG2 4.03Å; F11-V15 HydrophobicContact CE1-CG2 3.44Å; F11-V15 VanDerWaalsContact CE1-CG2 3.44Å; F11-V15 HydrophobicContact CZ-CG2 3.8Å; F11-V15 PolarHBondContact O-N 3.21Å; F11-L107 HydrophobicContact CB-CD1 4.07Å; F11-L107 HydrophobicContact CD1-CD1 4.01Å; F11-L107 HydrophobicContact CD1-CD2 3.53Å; F11-L107 HydrophobicContact CD1-CG 4.15Å; F11-L107 HydrophobicContact CE1-CD2 3.72Å; F11-L107 HydrophobicContact CG-CD1 4.18Å; F11-L107 HydrophobicContact CG-CD2 4.01Å; F11-L107 HydrophobicContact CZ-CD2 4.38Å; F11-I209 HydrophobicContact CE1-CB 3.81Å; F11-I209 HydrophobicContact CE1-CG2 3.79Å; F11-I209 HydrophobicContact CE2-CG2 4.17Å; F11-I209 HydrophobicContact CZ-CB 3.54Å; F11-I209 HydrophobicContact CZ-CD1 3.85Å; F11-I209 HydrophobicContact CZ-CG1 4.3Å; F11-I209 HydrophobicContact CZ-CG2 3.22Å
12G77.8Confident70.9Confident10 Ų1070.4 Ų70.410%0.10337%0.365CS..Hα-helixtrans-59.1-37.1174.300000112.5D8 A16D8-G12 PolarHBondContact O-N 2.79Å; G12-A16 VanDerWaalsContact O-CB 3.28Å; G12-A16 WeakPolarHBondContact O-CB 3.35Å; G12-A16 PolarHBondContact O-N 2.66Å
13Q85.4Confident73.8Confident84 Ų8464.1 Ų64.139%0.39333%0.327SS..Hα-helixtrans-63.2-47.1174.1-71.2177.4-1500112.5L9 F11 V15 A16 D17 E76L9-Q13 WeakPolarHBondContact O-CG 3.3Å; L9-Q13 PolarHBondContact O-N 2.7Å; F11-Q13 PolarHBondContact O-N 3.37Å; Q13-V15 PolarHBondContact O-N 3.02Å; Q13-A16 PolarHBondContact O-N 3.38Å; Q13-D17 WeakPolarHBondContact O-CB 3.49Å; Q13-D17 PolarHBondContact O-N 3.17Å; Q13-E76 HydrophobicContact CG-CG 4.18Å
14V87.1Confident76.7Confident54 Ų5460.9 Ų60.933%0.32730%0.303SS..Hα-helixtrans-61.7-43.4178.4172.50000111.4N10 F11 D17 V18 L129N10-V14 WeakPolarHBondContact O-CG2 3.47Å; N10-V14 PolarHBondContact O-N 3.31Å; N10-V14 VanDerWaalsContact O-N 3.16Å; F11-V14 PolarHBondContact O-N 2.64Å; V14-D17 PolarHBondContact O-N 3.49Å; V14-V18 VanDerWaalsContact O-CG2 3.3Å; V14-V18 WeakPolarHBondContact O-CG2 3.46Å; V14-V18 PolarHBondContact O-N 3.43Å; V14-L129 HydrophobicContact CG1-CD1 4.04Å; V14-L129 HydrophobicContact CG1-CD2 3.74Å
15V87Confident79.6Confident4 Ų454.5 Ų54.52%0.02427%0.269CS..Hα-helixtrans-65.3-41.9177.2177.40000111.1F11 Q13 V18 L19 Q104 I209F11-V15 HydrophobicContact CD1-CG2 4.03Å; F11-V15 HydrophobicContact CE1-CG2 3.44Å; F11-V15 VanDerWaalsContact CE1-CG2 3.44Å; F11-V15 HydrophobicContact CZ-CG2 3.8Å; F11-V15 PolarHBondContact O-N 3.21Å; Q13-V15 PolarHBondContact O-N 3.02Å; V15-V18 PolarHBondContact O-N 3.23Å; V15-L19 HydrophobicContact CG1-CD1 3.97Å; V15-L19 HydrophobicContact CG1-CG 4.4Å; V15-L19 WeakPolarHBondContact O-CB 3.48Å; V15-L19 WeakPolarHBondContact O-CG 3.44Å; V15-L19 PolarHBondContact O-N 2.7Å; V15-Q104 HydrophobicContact CG1-CG 4.42Å; V15-I209 HydrophobicContact CG2-CD1 4.05Å
16A91.6Very high82.2Confident0 Ų051.3 Ų51.30%025%0.25CC..Hα-helixtrans-61.8-43175.900000111.8G12 Q13 L19 C20 K72 L75 E76G12-A16 VanDerWaalsContact O-CB 3.28Å; G12-A16 WeakPolarHBondContact O-CB 3.35Å; G12-A16 PolarHBondContact O-N 2.66Å; Q13-A16 PolarHBondContact O-N 3.38Å; A16-L19 PolarHBondContact O-N 3.22Å; A16-C20 WeakPolarHBondContact O-CB 3.48Å; A16-C20 PolarHBondContact O-N 3.29Å; A16-C20 PolarHBondContact O-SG 2.61Å; A16-C20 VanDerWaalsContact O-SG 3.34Å; A16-K72 HydrophobicContact CB-CG 4.41Å; A16-L75 HydrophobicContact CB-CB 3.77Å; A16-E76 HydrophobicContact CB-CB 4.47Å; A16-E76 HydrophobicContact CB-CG 3.62Å
17D92.1Very high85Confident74 Ų7441.2 Ų41.240%0.39621%0.212SC..Hα-helixtrans-61.5-47.2176.6-78.7-32.1000112.1Q13 V14 L19 C20 E21 K72Q13-D17 WeakPolarHBondContact O-CB 3.49Å; Q13-D17 PolarHBondContact O-N 3.17Å; V14-D17 PolarHBondContact O-N 3.49Å; D17-L19 VanDerWaalsContact C-N 3.32Å; D17-L19 PolarHBondContact O-N 2.8Å; D17-C20 PolarHBondContact O-N 3.47Å; D17-E21 PolarHBondContact O-N 3.39Å; D17-K72 WeakPolarHBondContact OD1-CE 3.26Å; D17-K72 IonicContact OD1-NZ 2.58Å; D17-K72 PolarHBondContact OD1-NZ 3.31Å; D17-K72 IonicContact OD2-NZ 3.86Å
18V92.5Very high87.3Confident36 Ų3634.7 Ų34.722%0.21818%0.182CC..Hα-helixtrans-61.8-41.6177.1170.70000111.1V14 V15 F22 L129 V132 L136V14-V18 VanDerWaalsContact O-CG2 3.3Å; V14-V18 WeakPolarHBondContact O-CG2 3.46Å; V14-V18 PolarHBondContact O-N 3.43Å; V15-V18 PolarHBondContact O-N 3.23Å; V18-F22 VanDerWaalsContact O-CB 3.29Å; V18-F22 WeakPolarHBondContact O-CB 3.47Å; V18-F22 PolarHBondContact O-N 3.03Å; V18-L129 HydrophobicContact CG2-CD2 4.36Å; V18-V132 HydrophobicContact CG1-CG1 4.18Å; V18-L136 HydrophobicContact CG1-CD1 3.65Å
19L94.8Very high89.6Confident0 Ų033 Ų330%017%0.172CC..Hα-helixtrans-68.1-42.3177.2-78.4174.7000112.3V15 A16 D17 F22 L23 L75 I102 L210 M212V15-L19 HydrophobicContact CG1-CD1 3.97Å; V15-L19 HydrophobicContact CG1-CG 4.4Å; V15-L19 WeakPolarHBondContact O-CB 3.48Å; V15-L19 WeakPolarHBondContact O-CG 3.44Å; V15-L19 PolarHBondContact O-N 2.7Å; A16-L19 PolarHBondContact O-N 3.22Å; D17-L19 VanDerWaalsContact C-N 3.32Å; D17-L19 PolarHBondContact O-N 2.8Å; L19-F22 PolarHBondContact O-N 3.46Å; L19-L23 VanDerWaalsContact O-CB 3.31Å; L19-L23 WeakPolarHBondContact O-CB 3.42Å; L19-L23 WeakPolarHBondContact O-CG 3.48Å; L19-L23 PolarHBondContact O-N 3.41Å; L19-L75 HydrophobicContact CB-CD1 4.09Å; L19-L75 HydrophobicContact CD1-CD2 4.02Å; L19-I102 HydrophobicContact CD1-CD1 4.49Å; L19-I102 HydrophobicContact CD1-CG2 4Å; L19-L210 HydrophobicContact CD1-CD1 4.03Å; L19-L210 HydrophobicContact CD2-CD1 4.11Å; L19-L210 HydrophobicContact CD2-CD2 3.7Å; L19-L210 HydrophobicContact CG-CD1 4.46Å; L19-L210 HydrophobicContact CG-CD2 4.31Å; L19-M212 HydrophobicContact CD2-SD 4.12Å
20C96.4Very high91.8Very high16 Ų1628.1 Ų28.111%0.10815%0.147CC..Hα-helixtrans-62.4-45.9176.7-770000111.3A16 D17 F22 L23 E24A16-C20 WeakPolarHBondContact O-CB 3.48Å; A16-C20 PolarHBondContact O-N 3.29Å; A16-C20 PolarHBondContact O-SG 2.61Å; A16-C20 VanDerWaalsContact O-SG 3.34Å; D17-C20 PolarHBondContact O-N 3.47Å; C20-F22 VanDerWaalsContact C-N 3.31Å; C20-F22 PolarHBondContact O-N 3.05Å; C20-L23 PolarHBondContact O-N 2.83Å; C20-E24 WeakPolarHBondContact O-CB 3.43Å; C20-E24 PolarHBondContact O-N 3.12Å
21E96.1Very high93.1Very high77 Ų7723.5 Ų23.536%0.3612%0.123SC..Hα-helixtrans-60.2-43.6175-176-178.8-169.500111.1D17 E24 V25 K47D17-E21 PolarHBondContact O-N 3.39Å; E21-E24 PolarHBondContact O-N 2.95Å; E21-V25 WeakPolarHBondContact O-CG2 3.37Å; E21-V25 PolarHBondContact O-N 3.35Å; E21-K47 IonicContact OE1-NZ 2.69Å; E21-K47 PolarHBondContact OE1-NZ 3.11Å
22F97.5Very high94.4Very high0 Ų024 Ų240%012%0.123CC..Hα-helixtrans-64-48179168.3-102.6000112.5V18 L19 C20 E24 V25 A26 Y48 F100 L136 F139 I140 M212V18-F22 VanDerWaalsContact O-CB 3.29Å; V18-F22 WeakPolarHBondContact O-CB 3.47Å; V18-F22 PolarHBondContact O-N 3.03Å; L19-F22 PolarHBondContact O-N 3.46Å; C20-F22 VanDerWaalsContact C-N 3.31Å; C20-F22 PolarHBondContact O-N 3.05Å; F22-E24 VanDerWaalsContact C-N 3.29Å; F22-E24 PolarHBondContact O-N 3.41Å; F22-V25 PolarHBondContact O-N 2.97Å; F22-A26 HydrophobicContact CE1-CB 4.39Å; F22-A26 HydrophobicContact CE2-CB 4.49Å; F22-A26 HydrophobicContact CZ-CB 4.22Å; F22-A26 VanDerWaalsContact O-CB 3.29Å; F22-A26 WeakPolarHBondContact O-CB 3.37Å; F22-A26 PolarHBondContact O-N 3.09Å; F22-Y48 WeakPolarHBondContact CA-OH 3.31Å; F22-Y48 WeakPolarHBondContact CB-OH 3.27Å; F22-Y48 HydrophobicContact CD2-CE2 4.12Å; F22-Y48 PolarHBondContact N-OH 2.93Å; F22-F100 AromaticContact CE1-CD1 3.88Å; F22-F100 HydrophobicContact CE1-CD1 3.88Å; F22-F100 AromaticContact CE1-CE1 3.7Å; F22-F100 HydrophobicContact CE1-CE1 3.7Å; F22-F100 AromaticContact CZ-CE1 3.99Å; F22-F100 HydrophobicContact CZ-CE1 3.99Å; F22-L136 HydrophobicContact CB-CD1 4.13Å; F22-L136 HydrophobicContact CB-CD2 4.4Å; F22-L136 HydrophobicContact CD1-CD2 4.05Å; F22-L136 HydrophobicContact CD2-CB 3.9Å; F22-L136 HydrophobicContact CD2-CD1 4.37Å; F22-L136 HydrophobicContact CD2-CD2 3.79Å; F22-L136 HydrophobicContact CD2-CG 4.22Å; F22-L136 HydrophobicContact CE1-CD2 4.31Å; F22-L136 HydrophobicContact CE2-CB 4.21Å; F22-L136 HydrophobicContact CE2-CD2 4.04Å; F22-L136 HydrophobicContact CG-CD1 4.32Å; F22-L136 HydrophobicContact CG-CD2 3.78Å; F22-L136 HydrophobicContact CG-CG 4.45Å; F22-L136 HydrophobicContact CZ-CD2 4.3Å; F22-F139 HydrophobicContact CE2-CB 3.75Å; F22-F139 HydrophobicContact CE2-CG 4.4Å; F22-F139 HydrophobicContact CZ-CB 3.56Å; F22-F139 HydrophobicContact CZ-CD1 4.28Å; F22-F139 AromaticContact CZ-CG 3.94Å; F22-F139 HydrophobicContact CZ-CG 3.94Å; F22-I140 HydrophobicContact CD2-CD1 4.15Å; F22-I140 HydrophobicContact CE2-CD1 3.71Å; F22-I140 HydrophobicContact CE2-CG1 4.12Å; F22-M212 HydrophobicContact CD1-CE 4Å; F22-M212 HydrophobicContact CD1-SD 4.32Å; F22-M212 HydrophobicContact CE1-CE 3.37Å; F22-M212 HydrophobicContact CE1-SD 3.88Å; F22-M212 HydrophobicContact CZ-CE 3.72Å
23L98.2Very high95.3Very high1 Ų124.7 Ų24.71%0.00513%0.125CC..Hα-helixtrans-62.4-38.6179.5-73.2169.5000110.7L19 C20 V25 A26 V27 L68 L75 V83 F100L19-L23 VanDerWaalsContact O-CB 3.31Å; L19-L23 WeakPolarHBondContact O-CB 3.42Å; L19-L23 WeakPolarHBondContact O-CG 3.48Å; L19-L23 PolarHBondContact O-N 3.41Å; C20-L23 PolarHBondContact O-N 2.83Å; L23-V25 PolarHBondContact O-N 3.12Å; L23-A26 PolarHBondContact O-N 2.9Å; L23-V27 WeakPolarHBondContact O-CB 3.32Å; L23-V27 WeakPolarHBondContact O-CG2 3.5Å; L23-V27 PolarHBondContact O-N 3.32Å; L23-L68 HydrophobicContact CB-CD1 4.36Å; L23-L68 HydrophobicContact CB-CD2 3.75Å; L23-L68 HydrophobicContact CD1-CD2 4.17Å; L23-L75 HydrophobicContact CD1-CD1 4.5Å; L23-V83 HydrophobicContact CD1-CB 4.43Å; L23-V83 HydrophobicContact CD1-CG1 4.37Å; L23-V83 HydrophobicContact CD1-CG2 4.12Å; L23-V83 HydrophobicContact CD2-CB 4.42Å; L23-V83 HydrophobicContact CD2-CG1 4.35Å; L23-F100 HydrophobicContact CD2-CB 4.19Å; L23-F100 HydrophobicContact CD2-CD1 3.95Å; L23-F100 HydrophobicContact CD2-CD2 3.99Å; L23-F100 HydrophobicContact CD2-CE1 4.3Å; L23-F100 HydrophobicContact CD2-CE2 4.35Å; L23-F100 HydrophobicContact CD2-CG 3.77Å; L23-F100 HydrophobicContact CD2-CZ 4.49Å
24E98.3Very high95.9Very high66 Ų6621.4 Ų21.431%0.30811%0.109SC..Hα-helixtrans-58-51.3174.5-171.7-171169.500111.1C20 E21 F22 A26 V27 H28 I64 L68C20-E24 WeakPolarHBondContact O-CB 3.43Å; C20-E24 PolarHBondContact O-N 3.12Å; E21-E24 PolarHBondContact O-N 2.95Å; F22-E24 VanDerWaalsContact C-N 3.29Å; F22-E24 PolarHBondContact O-N 3.41Å; E24-A26 VanDerWaalsContact C-N 3.33Å; E24-A26 PolarHBondContact O-N 2.92Å; E24-V27 PolarHBondContact O-N 3.29Å; E24-H28 PolarHBondContact O-N 3.44Å; E24-H28 VanDerWaalsContact O-N 3.11Å; E24-H28 PolarHBondContact O-ND1 3.09Å; E24-I64 HydrophobicContact CG-CG2 4.22Å; E24-L68 VanDerWaalsContact CA-CD1 3.42Å; E24-L68 HydrophobicContact CB-CD1 3.52Å; E24-L68 HydrophobicContact CG-CD1 4.2Å
25V98.3Very high96.4Very high1 Ų125.9 Ų25.91%0.00613%0.127CC..Hα-helixtrans-64-41.1179.3176.70000111E21 F22 L23 L29 K47 Y48 V52 M54 I140E21-V25 WeakPolarHBondContact O-CG2 3.37Å; E21-V25 PolarHBondContact O-N 3.35Å; F22-V25 PolarHBondContact O-N 2.97Å; L23-V25 PolarHBondContact O-N 3.12Å; V25-L29 WeakPolarHBondContact O-CB 2.85Å; V25-L29 PolarHBondContact O-N 3.23Å; V25-K47 HydrophobicContact CG1-CB 4.16Å; V25-K47 HydrophobicContact CG1-CG 4.42Å; V25-K47 HydrophobicContact CG2-CB 4.25Å; V25-K47 HydrophobicContact CG2-CD 4.26Å; V25-K47 HydrophobicContact CG2-CG 3.86Å; V25-Y48 HydrophobicContact CB-CE2 4.46Å; V25-Y48 HydrophobicContact CG2-CE2 4.46Å; V25-V52 HydrophobicContact CG1-CB 4.09Å; V25-V52 HydrophobicContact CG1-CG1 3.75Å; V25-V52 HydrophobicContact CG1-CG2 4.27Å; V25-M54 HydrophobicContact CB-SD 4.44Å; V25-M54 HydrophobicContact CG1-SD 4.3Å; V25-M54 HydrophobicContact CG2-CE 4.33Å; V25-M54 HydrophobicContact CG2-SD 4.22Å; V25-I140 HydrophobicContact CG1-CD1 3.91Å
26A98.4Very high96.9Very high0 Ų026.5 Ų26.50%013%0.13CC..Hα-helixtrans-66.4-43.5-179.900000112F22 L23 E24 L29 I30 F100 I140 I143F22-A26 HydrophobicContact CE1-CB 4.39Å; F22-A26 HydrophobicContact CE2-CB 4.49Å; F22-A26 HydrophobicContact CZ-CB 4.22Å; F22-A26 VanDerWaalsContact O-CB 3.29Å; F22-A26 WeakPolarHBondContact O-CB 3.37Å; F22-A26 PolarHBondContact O-N 3.09Å; L23-A26 PolarHBondContact O-N 2.9Å; E24-A26 VanDerWaalsContact C-N 3.33Å; E24-A26 PolarHBondContact O-N 2.92Å; A26-L29 PolarHBondContact O-N 3.43Å; A26-I30 WeakPolarHBondContact O-CB 3.42Å; A26-I30 WeakPolarHBondContact O-CD1 3.38Å; A26-I30 WeakPolarHBondContact O-CG1 3.4Å; A26-I30 PolarHBondContact O-N 3.05Å; A26-F100 HydrophobicContact CB-CE1 4.05Å; A26-F100 HydrophobicContact CB-CZ 3.79Å; A26-I140 HydrophobicContact CB-CD1 4.34Å; A26-I143 HydrophobicContact CB-CD1 3.91Å
27V98.6Very high97.2Very high6 Ų630.2 Ų30.24%0.03615%0.145CC..Hα-helixtrans-60.2-51.3176.3171.40000109.9L23 E24 L29 I30 L31 I64 V85 F159L23-V27 WeakPolarHBondContact O-CB 3.32Å; L23-V27 WeakPolarHBondContact O-CG2 3.5Å; L23-V27 PolarHBondContact O-N 3.32Å; E24-V27 PolarHBondContact O-N 3.29Å; V27-L29 VanDerWaalsContact C-N 3.27Å; V27-L29 PolarHBondContact O-N 2.76Å; V27-I30 PolarHBondContact O-N 3.02Å; V27-L31 HydrophobicContact CG1-CD1 4.06Å; V27-L31 HydrophobicContact CG1-CG 4.37Å; V27-L31 VanDerWaalsContact O-CG 3.29Å; V27-L31 WeakPolarHBondContact O-CG 3.46Å; V27-L31 PolarHBondContact O-N 3.16Å; V27-I64 HydrophobicContact CB-CG2 4.41Å; V27-I64 HydrophobicContact CG1-CD1 3.9Å; V27-I64 HydrophobicContact CG1-CG1 4.03Å; V27-I64 HydrophobicContact CG1-CG2 4.17Å; V27-V85 HydrophobicContact CG2-CG2 3.73Å; V27-F159 HydrophobicContact CG1-CE2 4.28Å
28H98.6Very high97.4Very high2 Ų231.1 Ų31.11%0.00916%0.155CC..Hα-helixtrans-56.2-43.2177.1-77.698.5000112.6E24 L31 Y32 F42 Q53 M54 S55 N61E24-H28 PolarHBondContact O-N 3.44Å; E24-H28 VanDerWaalsContact O-N 3.11Å; E24-H28 PolarHBondContact O-ND1 3.09Å; H28-L31 PolarHBondContact O-N 2.81Å; H28-Y32 PolarHBondContact O-N 2.94Å; H28-Y32 VanDerWaalsContact O-N 3.09Å; H28-F42 WeakPolarHBondContact O-CE1 3.46Å; H28-Q53 WeakPolarHBondContact CB-O 3.46Å; H28-M54 HydrophobicContact CB-CE 4.23Å; H28-M54 HydrophobicContact CB-SD 3.94Å; H28-M54 WeakPolarHBondContact ND1-CE 3.49Å; H28-S55 PolarHBondContact CD2-N 3.25Å; H28-S55 VanDerWaalsContact CD2-N 3.27Å; H28-N61 PolarHBondContact NE2-OD1 3.08Å
29L98.3Very high97.6Very high4 Ų433.4 Ų33.42%0.02117%0.169CC..Hα-helixtrans-68.2-39.7179.4-173.863.8000112.1V25 A26 V27 Y32 V33 Q53 I140 I143V25-L29 WeakPolarHBondContact O-CB 2.85Å; V25-L29 PolarHBondContact O-N 3.23Å; A26-L29 PolarHBondContact O-N 3.43Å; V27-L29 VanDerWaalsContact C-N 3.27Å; V27-L29 PolarHBondContact O-N 2.76Å; L29-Y32 WeakPolarHBondContact O-CB 3.34Å; L29-Y32 PolarHBondContact O-N 2.86Å; L29-V33 HydrophobicContact CD1-CG1 4.14Å; L29-V33 HydrophobicContact CG-CG1 4.37Å; L29-V33 WeakPolarHBondContact O-CG1 3.39Å; L29-V33 WeakPolarHBondContact O-CG2 3.44Å; L29-V33 PolarHBondContact O-N 2.81Å; L29-Q53 HydrophobicContact CD1-CB 4.34Å; L29-Q53 HydrophobicContact CD1-CG 4.47Å; L29-I140 HydrophobicContact CD2-CG2 3.77Å; L29-I140 WeakPolarHBondContact CD2-O 3.36Å; L29-I143 HydrophobicContact CB-CG2 4.21Å; L29-I143 HydrophobicContact CD2-CB 3.87Å; L29-I143 HydrophobicContact CD2-CG2 3.74Å; L29-I143 HydrophobicContact CG-CB 4.41Å; L29-I143 HydrophobicContact CG-CG2 3.71Å
30I98.5Very high97.7Very high0 Ų036.9 Ų36.90%021%0.205CC..Hα-helixtrans-59.3-49.3174.1-71.9162.2000110.1A26 V27 Y32 V33 R34 V85 I87 F98 F100 I143A26-I30 WeakPolarHBondContact O-CB 3.42Å; A26-I30 WeakPolarHBondContact O-CD1 3.38Å; A26-I30 WeakPolarHBondContact O-CG1 3.4Å; A26-I30 PolarHBondContact O-N 3.05Å; V27-I30 PolarHBondContact O-N 3.02Å; I30-Y32 PolarHBondContact O-N 3.28Å; I30-V33 PolarHBondContact O-N 2.76Å; I30-R34 HydrophobicContact CG2-CG 4.21Å; I30-R34 WeakPolarHBondContact O-CB 3.35Å; I30-R34 WeakPolarHBondContact O-CG 3.46Å; I30-R34 PolarHBondContact O-N 2.78Å; I30-V85 HydrophobicContact CD1-CG2 4.28Å; I30-V85 HydrophobicContact CG2-CG1 4.32Å; I30-I87 HydrophobicContact CG2-CD1 4.42Å; I30-F98 HydrophobicContact CD1-CB 3.72Å; I30-F98 HydrophobicContact CD1-CD1 3.7Å; I30-F98 HydrophobicContact CD1-CD2 4.39Å; I30-F98 HydrophobicContact CD1-CE1 4.45Å; I30-F98 HydrophobicContact CD1-CG 3.68Å; I30-F98 HydrophobicContact CG1-CD1 3.83Å; I30-F98 HydrophobicContact CG1-CE1 4.08Å; I30-F98 HydrophobicContact CG1-CG 4.1Å; I30-F98 HydrophobicContact CG2-CD1 4.43Å; I30-F98 HydrophobicContact CG2-CD2 3.74Å; I30-F98 HydrophobicContact CG2-CE1 4.42Å; I30-F98 HydrophobicContact CG2-CE2 3.75Å; I30-F98 HydrophobicContact CG2-CG 4.11Å; I30-F98 HydrophobicContact CG2-CZ 4.11Å; I30-F100 HydrophobicContact CD1-CE2 3.99Å; I30-F100 HydrophobicContact CD1-CZ 3.86Å; I30-I143 HydrophobicContact CG1-CD1 4.42Å; I30-I143 HydrophobicContact CG1-CG2 3.79Å
31L98.4Very high97.8Very high0 Ų038.1 Ų38.10%021%0.21CC..Hα-helixtrans-60.2-33.5179.7-65.2177.5000112.5V27 H28 E35 V36 Y37 F42 L60 I64 F159V27-L31 HydrophobicContact CG1-CD1 4.06Å; V27-L31 HydrophobicContact CG1-CG 4.37Å; V27-L31 VanDerWaalsContact O-CG 3.29Å; V27-L31 WeakPolarHBondContact O-CG 3.46Å; V27-L31 PolarHBondContact O-N 3.16Å; H28-L31 PolarHBondContact O-N 2.81Å; L31-E35 PolarHBondContact O-N 3.27Å; L31-V36 HydrophobicContact CD2-CB 3.84Å; L31-V36 HydrophobicContact CD2-CG1 3.91Å; L31-V36 HydrophobicContact CD2-CG2 4.01Å; L31-V36 PolarHBondContact O-N 3.09Å; L31-V36 VanDerWaalsContact O-N 3.08Å; L31-Y37 HydrophobicContact CB-CD2 4.25Å; L31-Y37 HydrophobicContact CD1-CD2 4.15Å; L31-Y37 HydrophobicContact CD1-CE2 4.03Å; L31-Y37 HydrophobicContact CD2-CD2 4.35Å; L31-Y37 HydrophobicContact CD2-CE2 4.22Å; L31-Y37 HydrophobicContact CG-CD2 4.48Å; L31-F42 HydrophobicContact CB-CE1 4.45Å; L31-F42 HydrophobicContact CB-CZ 3.98Å; L31-L60 HydrophobicContact CD1-CD1 4.14Å; L31-L60 HydrophobicContact CD1-CD2 4.35Å; L31-I64 HydrophobicContact CD1-CD1 3.94Å; L31-F159 HydrophobicContact CD1-CD1 4.32Å; L31-F159 HydrophobicContact CD1-CE1 3.9Å; L31-F159 HydrophobicContact CD1-CE2 4.37Å; L31-F159 HydrophobicContact CD1-CZ 3.92Å; L31-F159 HydrophobicContact CD2-CB 3.96Å; L31-F159 HydrophobicContact CD2-CD1 3.54Å; L31-F159 HydrophobicContact CD2-CD2 4.03Å; L31-F159 HydrophobicContact CD2-CE1 4Å; L31-F159 HydrophobicContact CD2-CE2 4.42Å; L31-F159 HydrophobicContact CD2-CG 3.56Å; L31-F159 HydrophobicContact CD2-CZ 4.41Å
32Y98.3Very high97.9Very high70 Ų7035.4 Ų35.428%0.27520%0.197SC..Hα-helixtrans-71.4-55.5174.3175-94.2000112.5H28 L29 I30 R34 E35 V39 F42 Q53H28-Y32 PolarHBondContact O-N 2.94Å; H28-Y32 VanDerWaalsContact O-N 3.09Å; L29-Y32 WeakPolarHBondContact O-CB 3.34Å; L29-Y32 PolarHBondContact O-N 2.86Å; I30-Y32 PolarHBondContact O-N 3.28Å; Y32-R34 VanDerWaalsContact C-N 3.27Å; Y32-R34 PolarHBondContact O-N 2.91Å; Y32-E35 PolarHBondContact O-N 3.01Å; Y32-E35 VanDerWaalsContact O-N 3.16Å; Y32-V39 HydrophobicContact CD2-CG1 4.45Å; Y32-V39 HydrophobicContact CE2-CB 4.17Å; Y32-V39 HydrophobicContact CE2-CG1 3.93Å; Y32-F42 HydrophobicContact CD2-CB 3.73Å; Y32-F42 HydrophobicContact CD2-CD1 4.23Å; Y32-F42 AromaticContact CD2-CD2 3.73Å; Y32-F42 HydrophobicContact CD2-CD2 3.73Å; Y32-F42 HydrophobicContact CD2-CE2 4.36Å; Y32-F42 AromaticContact CD2-CG 3.65Å; Y32-F42 HydrophobicContact CD2-CG 3.65Å; Y32-F42 HydrophobicContact CE2-CB 4.22Å; Y32-F42 HydrophobicContact CG-CG 4.37Å; Y32-Q53 HydrophobicContact CD1-CB 3.89Å; Y32-Q53 HydrophobicContact CD1-CG 3.56Å; Y32-Q53 HydrophobicContact CD2-CB 3.8Å; Y32-Q53 HydrophobicContact CD2-CG 3.88Å; Y32-Q53 HydrophobicContact CE1-CB 4.37Å; Y32-Q53 HydrophobicContact CE1-CG 3.57Å; Y32-Q53 HydrophobicContact CE2-CB 4.28Å; Y32-Q53 HydrophobicContact CE2-CG 3.87Å; Y32-Q53 HydrophobicContact CG-CB 3.56Å; Y32-Q53 HydrophobicContact CG-CG 3.71Å; Y32-Q53 PolarHBondContact OH-NE2 3.3Å
33V97.6Very high97.9Very high24 Ų2440.1 Ų40.115%0.14522%0.219CC..Hα-helixtrans-71.2-22.9-173.6-59.30000113.1L29 I30 I143L29-V33 HydrophobicContact CD1-CG1 4.14Å; L29-V33 HydrophobicContact CG-CG1 4.37Å; L29-V33 WeakPolarHBondContact O-CG1 3.39Å; L29-V33 WeakPolarHBondContact O-CG2 3.44Å; L29-V33 PolarHBondContact O-N 2.81Å; I30-V33 PolarHBondContact O-N 2.76Å; V33-I143 HydrophobicContact CG2-CG2 4.16Å
34R97.6Very high97.9Very high14 Ų1447.1 Ų47.15%0.05325%0.249CC..THydrogen-bonded Turntrans-96.87175.9-54.7-48.6-65.8151.90.5113.1I30 Y32 V36 I87 E96 F98 D151 N153I30-R34 HydrophobicContact CG2-CG 4.21Å; I30-R34 WeakPolarHBondContact O-CB 3.35Å; I30-R34 WeakPolarHBondContact O-CG 3.46Å; I30-R34 PolarHBondContact O-N 2.78Å; Y32-R34 VanDerWaalsContact C-N 3.27Å; Y32-R34 PolarHBondContact O-N 2.91Å; R34-V36 HydrophobicContact CB-CG2 4.2Å; R34-V36 PolarHBondContact O-N 3.45Å; R34-V36 VanDerWaalsContact O-N 3.12Å; R34-I87 HydrophobicContact CB-CD1 3.64Å; R34-I87 HydrophobicContact CG-CD1 3.8Å; R34-E96 IonicContact CZ-OE1 2.93Å; R34-E96 IonicContact CZ-OE2 3.38Å; R34-E96 IonicContact NE-OE1 3.88Å; R34-E96 PolarHBondContact NE-OE1 3.18Å; R34-E96 IonicContact NE-OE2 3.77Å; R34-E96 PolarHBondContact NE-OE2 2.77Å; R34-E96 IonicContact NH2-OE1 2.87Å; R34-E96 PolarHBondContact NH2-OE1 3.46Å; R34-E96 IonicContact NH2-OE2 2.64Å; R34-E96 PolarHBondContact NH2-OE2 2.84Å; R34-F98 HydrophobicContact CG-CE2 3.95Å; R34-F98 HydrophobicContact CG-CZ 3.78Å; R34-D151 PolarHBondContact NH2-O 2.83Å; R34-N153 PolarHBondContact NH2-OD1 2.88Å
35E97.2Very high97.8Very high149 Ų14950.2 Ų50.270%0.69626%0.258SS*.THydrogen-bonded Turntrans53.333.1174.7-56-175.2123.100113.8L31 Y32 Y37L31-E35 PolarHBondContact O-N 3.27Å; Y32-E35 PolarHBondContact O-N 3.01Å; Y32-E35 VanDerWaalsContact O-N 3.16Å; E35-Y37 PolarHBondContact O-N 2.95Å
36V97.9Very high97.7Very high16 Ų1657 Ų5710%0.09729%0.288CS..SBendtrans-67-32.4177.1-177.60000110.4L31 R34 I87 F159L31-V36 HydrophobicContact CD2-CB 3.84Å; L31-V36 HydrophobicContact CD2-CG1 3.91Å; L31-V36 HydrophobicContact CD2-CG2 4.01Å; L31-V36 PolarHBondContact O-N 3.09Å; L31-V36 VanDerWaalsContact O-N 3.08Å; R34-V36 HydrophobicContact CB-CG2 4.2Å; R34-V36 PolarHBondContact O-N 3.45Å; R34-V36 VanDerWaalsContact O-N 3.12Å; V36-I87 HydrophobicContact CG2-CD1 3.95Å; V36-I87 HydrophobicContact CG2-CG1 4.37Å; V36-I87 HydrophobicContact CG2-CG2 4.31Å; V36-F159 HydrophobicContact CG1-CB 4.43Å; V36-F159 HydrophobicContact CG1-CD1 4.39Å
37Y97.9Very high97.5Very high78 Ų7860.5 Ų60.531%0.30630%0.303SS..SBendtrans-124.9153.7172.2-67.9-82.5000111.2L31 E35 V39 I41 L60 F159L31-Y37 HydrophobicContact CB-CD2 4.25Å; L31-Y37 HydrophobicContact CD1-CD2 4.15Å; L31-Y37 HydrophobicContact CD1-CE2 4.03Å; L31-Y37 HydrophobicContact CD2-CD2 4.35Å; L31-Y37 HydrophobicContact CD2-CE2 4.22Å; L31-Y37 HydrophobicContact CG-CD2 4.48Å; E35-Y37 PolarHBondContact O-N 2.95Å; Y37-V39 PolarHBondContact O-N 2.82Å; Y37-I41 HydrophobicContact CD1-CD1 4.27Å; Y37-I41 HydrophobicContact CG-CD1 4.04Å; Y37-L60 HydrophobicContact CD1-CD2 4.39Å; Y37-L60 HydrophobicContact CD2-CD1 4.47Å; Y37-L60 HydrophobicContact CD2-CD2 3.71Å; Y37-L60 HydrophobicContact CE1-CD2 4.43Å; Y37-L60 HydrophobicContact CE2-CD1 3.69Å; Y37-L60 HydrophobicContact CE2-CD2 3.75Å; Y37-L60 HydrophobicContact CE2-CG 4.39Å; Y37-L60 HydrophobicContact CG-CD2 4.04Å; Y37-F159 AromaticContact CE2-CD1 3.84Å; Y37-F159 HydrophobicContact CE2-CD1 3.84Å; Y37-F159 AromaticContact CE2-CE1 3.68Å; Y37-F159 HydrophobicContact CE2-CE1 3.68Å; Y37-F159 WeakPolarHBondContact OH-CE1 3.32Å
38P97Very high97.2Very high93 Ų9361 Ų6160%0.60430%0.304SS*.  trans-59.1137.2179.6-23.433.3000112.7G40 I41P38-G40 PolarHBondContact O-N 3.15Å; P38-I41 WeakPolarHBondContact O-CG1 3.26Å; P38-I41 PolarHBondContact O-N 3.06Å; P38-I41 VanDerWaalsContact O-N 3.09Å
39V96.1Very high96.9Very high84 Ų8465.5 Ų65.551%0.50933%0.328SS..G310 helixtrans-54.7-24.9179.8-62.40000114.1Y32 Y37 I41 F42Y32-V39 HydrophobicContact CD2-CG1 4.45Å; Y32-V39 HydrophobicContact CE2-CB 4.17Å; Y32-V39 HydrophobicContact CE2-CG1 3.93Å; Y37-V39 PolarHBondContact O-N 2.82Å; V39-I41 PolarHBondContact O-N 2.85Å; V39-F42 PolarHBondContact O-N 2.89Å; V39-F42 VanDerWaalsContact O-N 3.1Å
40G97.1Very high96.8Very high74 Ų7465.9 Ų65.976%0.76333%0.331SS*.G310 helixtrans-65.3-18.5179.800000115.1P38P38-G40 PolarHBondContact O-N 3.15Å
41I97.5Very high96.6Very high41 Ų4169.4 Ų69.421%0.2135%0.354CS..G310 helixtrans-87.9-5.9174.773.1161.7000113Y37 P38 V39 S55 C56 H57 L60Y37-I41 HydrophobicContact CD1-CD1 4.27Å; Y37-I41 HydrophobicContact CG-CD1 4.04Å; P38-I41 WeakPolarHBondContact O-CG1 3.26Å; P38-I41 PolarHBondContact O-N 3.06Å; P38-I41 VanDerWaalsContact O-N 3.09Å; V39-I41 PolarHBondContact O-N 2.85Å; I41-S55 CarbonylContact O-C 3.54Å; I41-S55 WeakPolarHBondContact O-CA 3.46Å; I41-C56 PolarHBondContact O-N 3.3Å; I41-H57 HydrophobicContact CB-CB 4.47Å; I41-H57 HydrophobicContact CD1-CB 3.97Å; I41-L60 HydrophobicContact CD1-CD2 3.8Å
42F98.2Very high96.6Very high21 Ų2169.5 Ų69.59%0.09235%0.354CS..EExtended strand (participates in β ladder)trans-102.5137.5-176.8-66.2-89.7000112H28 L31 Y32 V39 Q53 M54H28-F42 WeakPolarHBondContact O-CE1 3.46Å; L31-F42 HydrophobicContact CB-CE1 4.45Å; L31-F42 HydrophobicContact CB-CZ 3.98Å; Y32-F42 HydrophobicContact CD2-CB 3.73Å; Y32-F42 HydrophobicContact CD2-CD1 4.23Å; Y32-F42 AromaticContact CD2-CD2 3.73Å; Y32-F42 HydrophobicContact CD2-CD2 3.73Å; Y32-F42 HydrophobicContact CD2-CE2 4.36Å; Y32-F42 AromaticContact CD2-CG 3.65Å; Y32-F42 HydrophobicContact CD2-CG 3.65Å; Y32-F42 HydrophobicContact CE2-CB 4.22Å; Y32-F42 HydrophobicContact CG-CG 4.37Å; V39-F42 PolarHBondContact O-N 2.89Å; V39-F42 VanDerWaalsContact O-N 3.1Å; F42-Q53 HydrophobicContact CB-CB 4.27Å; F42-Q53 HydrophobicContact CD1-CB 4.32Å; F42-M54 CarbonylContact C-O 3.59Å; F42-M54 WeakPolarHBondContact CA-O 3.12Å
43Q97.9Very high96.6Very high98 Ų9867.8 Ų67.846%0.45835%0.349SS..EExtended strand (participates in β ladder)trans-115.6132.9175.2-173.1-179.849.800110.4R45 M54 C56Q43-R45 PolarHBondContact O-N 2.87Å; Q43-M54 PolarHBondContact N-O 3.38Å; Q43-M54 PolarHBondContact O-N 3.31Å; Q43-C56 VanDerWaalsContact CB-SG 3.59Å
44K97.4Very high96.6Very high149 Ų14967.2 Ų67.265%0.64834%0.344SS*.EExtended strand (participates in β ladder)trans-65.6122174.5-171175.2-177.3173.90110V52 Q53K44-V52 CarbonylContact C-O 3.57Å; K44-V52 WeakPolarHBondContact CA-O 3.33Å; K44-Q53 VanDerWaalsContact N-OE1 3.15Å
45R96.8Very high96.6Very high131 Ų13166.6 Ų66.649%0.49434%0.343SS..EExtended strand (participates in β ladder)trans-126.2176.9174.6-65.1-166.9177.5-176.9-1.1110.2Q43 P51 V52 M54Q43-R45 PolarHBondContact O-N 2.87Å; R45-P51 WeakPolarHBondContact O-CA 3.22Å; R45-V52 HydrophobicContact CB-CG2 4.07Å; R45-V52 PolarHBondContact N-O 3.35Å; R45-V52 PolarHBondContact O-N 3.05Å; R45-M54 HydrophobicContact CB-CG 4.1Å; R45-M54 HydrophobicContact CG-CB 4.37Å; R45-M54 HydrophobicContact CG-CG 4.19Å
46K96.2Very high96.6Very high144 Ų14462.6 Ų62.663%0.62633%0.33SS*.EExtended strand (participates in β ladder)trans-120.6117.3176.1-171.4175.4176.4-178.90109.1N49 V50K46-N49 WeakPolarHBondContact CE-OD1 3.5Å; K46-N49 PolarHBondContact NZ-OD1 3.38Å; K46-V50 WeakPolarHBondContact CA-O 3.38Å
47K93.5Very high96.6Very high72 Ų7265.4 Ų65.431%0.31334%0.342SS..EExtended strand (participates in β ladder)trans-131.9143.6175-76.5-71.1-164.2168.20108.2E21 V25 N49 V50 V52E21-K47 IonicContact OE1-NZ 2.69Å; E21-K47 PolarHBondContact OE1-NZ 3.11Å; V25-K47 HydrophobicContact CG1-CB 4.16Å; V25-K47 HydrophobicContact CG1-CG 4.42Å; V25-K47 HydrophobicContact CG2-CB 4.25Å; V25-K47 HydrophobicContact CG2-CD 4.26Å; V25-K47 HydrophobicContact CG2-CG 3.86Å; K47-N49 PolarHBondContact O-N 3.06Å; K47-N49 VanDerWaalsContact O-N 3.1Å; K47-V50 PolarHBondContact N-O 2.97Å; K47-V50 WeakPolarHBondContact O-CG2 3.35Å; K47-V50 PolarHBondContact O-N 2.77Å; K47-V52 HydrophobicContact CB-CG1 4.09Å; K47-V52 HydrophobicContact CB-CG2 3.82Å; K47-V52 HydrophobicContact CG-CG2 3.84Å
48Y92.9Very high96.6Very high16 Ų1666.4 Ų66.46%0.06336%0.358CS..THydrogen-bonded Turntrans51.936.3-176.4-50.6-61.6000113.1F22 V25 V50 E133 L136 R137 I140F22-Y48 WeakPolarHBondContact CA-OH 3.31Å; F22-Y48 WeakPolarHBondContact CB-OH 3.27Å; F22-Y48 HydrophobicContact CD2-CE2 4.12Å; F22-Y48 PolarHBondContact N-OH 2.93Å; V25-Y48 HydrophobicContact CB-CE2 4.46Å; V25-Y48 HydrophobicContact CG2-CE2 4.46Å; Y48-V50 PolarHBondContact O-N 3.42Å; Y48-V50 VanDerWaalsContact O-N 3.09Å; Y48-E133 WeakPolarHBondContact CA-OE1 3.46Å; Y48-E133 HydrophobicContact CD1-CG 3.36Å; Y48-E133 HydrophobicContact CE1-CG 3.94Å; Y48-E133 HydrophobicContact CG-CG 4.42Å; Y48-L136 HydrophobicContact CE1-CD1 4.45Å; Y48-R137 WeakPolarHBondContact O-CD 3.31Å; Y48-R137 WeakPolarHBondContact O-CG 3.36Å; Y48-R137 PolarHBondContact O-NE 2.71Å; Y48-R137 PolarHBondContact O-NH2 3.42Å; Y48-I140 HydrophobicContact CD2-CG1 3.94Å; Y48-I140 HydrophobicContact CE2-CG1 4.44Å
49N93.1Very high96.6Very high97 Ų9769.1 Ų69.152%0.51936%0.363SS..THydrogen-bonded Turntrans55.917.9-173.6-158.940.6000116.2K46 K47K46-N49 WeakPolarHBondContact CE-OD1 3.5Å; K46-N49 PolarHBondContact NZ-OD1 3.38Å; K47-N49 PolarHBondContact O-N 3.06Å; K47-N49 VanDerWaalsContact O-N 3.1Å
50V95.2Very high96.7Very high12 Ų1265.5 Ų65.57%0.07334%0.34CS..EExtended strand (participates in β ladder)trans-123.6153.9176.3-68.70000111.1K46 K47 Y48 V52 R137 I140 L141K46-V50 WeakPolarHBondContact CA-O 3.38Å; K47-V50 PolarHBondContact N-O 2.97Å; K47-V50 WeakPolarHBondContact O-CG2 3.35Å; K47-V50 PolarHBondContact O-N 2.77Å; Y48-V50 PolarHBondContact O-N 3.42Å; Y48-V50 VanDerWaalsContact O-N 3.09Å; V50-V52 HydrophobicContact CG2-CG1 4.5Å; V50-R137 HydrophobicContact CB-CG 4.39Å; V50-R137 HydrophobicContact CG1-CG 3.43Å; V50-R137 VanDerWaalsContact CG1-CG 3.43Å; V50-R137 HydrophobicContact CG2-CG 4.05Å; V50-I140 HydrophobicContact CG2-CB 4.14Å; V50-I140 HydrophobicContact CG2-CG2 3.64Å; V50-L141 HydrophobicContact CB-CD2 4.24Å; V50-L141 HydrophobicContact CG1-CD1 4.32Å; V50-L141 HydrophobicContact CG1-CD2 3.84Å; V50-L141 HydrophobicContact CG1-CG 4.1Å
51P95.8Very high96.7Very high74 Ų7464 Ų6448%0.48132%0.315SS..EExtended strand (participates in β ladder)trans-67.8135.8174.828.8-34.2000110.4R45R45-P51 WeakPolarHBondContact O-CA 3.22Å
52V97.1Very high96.7Very high2 Ų266.5 Ų66.51%0.01233%0.326CS..EExtended strand (participates in β ladder)trans-134.2162.2175.4-61.50000109.9V25 K44 R45 K47 V50 M54 I140V25-V52 HydrophobicContact CG1-CB 4.09Å; V25-V52 HydrophobicContact CG1-CG1 3.75Å; V25-V52 HydrophobicContact CG1-CG2 4.27Å; K44-V52 CarbonylContact C-O 3.57Å; K44-V52 WeakPolarHBondContact CA-O 3.33Å; R45-V52 HydrophobicContact CB-CG2 4.07Å; R45-V52 PolarHBondContact N-O 3.35Å; R45-V52 PolarHBondContact O-N 3.05Å; K47-V52 HydrophobicContact CB-CG1 4.09Å; K47-V52 HydrophobicContact CB-CG2 3.82Å; K47-V52 HydrophobicContact CG-CG2 3.84Å; V50-V52 HydrophobicContact CG2-CG1 4.5Å; V52-M54 HydrophobicContact CG2-CG 4.06Å; V52-M54 HydrophobicContact CG2-SD 4.18Å; V52-I140 HydrophobicContact CG1-CG2 3.52Å
53Q97.9Very high96.7Very high35 Ų3569.2 Ų69.216%0.16434%0.336CS..EExtended strand (participates in β ladder)trans-112.4121.5176.2-62.5-72.6900108.1H28 L29 Y32 F42 K44H28-Q53 WeakPolarHBondContact CB-O 3.46Å; L29-Q53 HydrophobicContact CD1-CB 4.34Å; L29-Q53 HydrophobicContact CD1-CG 4.47Å; Y32-Q53 HydrophobicContact CD1-CB 3.89Å; Y32-Q53 HydrophobicContact CD1-CG 3.56Å; Y32-Q53 HydrophobicContact CD2-CB 3.8Å; Y32-Q53 HydrophobicContact CD2-CG 3.88Å; Y32-Q53 HydrophobicContact CE1-CB 4.37Å; Y32-Q53 HydrophobicContact CE1-CG 3.57Å; Y32-Q53 HydrophobicContact CE2-CB 4.28Å; Y32-Q53 HydrophobicContact CE2-CG 3.87Å; Y32-Q53 HydrophobicContact CG-CB 3.56Å; Y32-Q53 HydrophobicContact CG-CG 3.71Å; Y32-Q53 PolarHBondContact OH-NE2 3.3Å; F42-Q53 HydrophobicContact CB-CB 4.27Å; F42-Q53 HydrophobicContact CD1-CB 4.32Å; K44-Q53 VanDerWaalsContact N-OE1 3.15Å
54M98Very high96.7Very high11 Ų1164.7 Ų64.75%0.05432%0.315CS..EExtended strand (participates in β ladder)trans-118.9136.5-178.2-59.6-62.1-64.200109V25 H28 F42 Q43 R45 V52V25-M54 HydrophobicContact CB-SD 4.44Å; V25-M54 HydrophobicContact CG1-SD 4.3Å; V25-M54 HydrophobicContact CG2-CE 4.33Å; V25-M54 HydrophobicContact CG2-SD 4.22Å; H28-M54 HydrophobicContact CB-CE 4.23Å; H28-M54 HydrophobicContact CB-SD 3.94Å; H28-M54 WeakPolarHBondContact ND1-CE 3.49Å; F42-M54 CarbonylContact C-O 3.59Å; F42-M54 WeakPolarHBondContact CA-O 3.12Å; Q43-M54 PolarHBondContact N-O 3.38Å; Q43-M54 PolarHBondContact O-N 3.31Å; R45-M54 HydrophobicContact CB-CG 4.1Å; R45-M54 HydrophobicContact CG-CB 4.37Å; R45-M54 HydrophobicContact CG-CG 4.19Å; V52-M54 HydrophobicContact CG2-CG 4.06Å; V52-M54 HydrophobicContact CG2-SD 4.18Å
55S98.1Very high96.6Very high2 Ų262.8 Ų62.81%0.01431%0.308CS..EExtended strand (participates in β ladder)trans-68145.3178160.90000110.6H28 I41 H57 N61H28-S55 PolarHBondContact CD2-N 3.25Å; H28-S55 VanDerWaalsContact CD2-N 3.27Å; I41-S55 CarbonylContact O-C 3.54Å; I41-S55 WeakPolarHBondContact O-CA 3.46Å; S55-H57 PolarHBondContact OG-N 2.98Å; S55-N61 WeakPolarHBondContact CB-OD1 3.34Å; S55-N61 PolarHBondContact O-ND2 2.92Å; S55-N61 PolarHBondContact O-OD1 3.33Å; S55-N61 PolarHBondContact OG-OD1 2.65Å
56C97.1Very high96.6Very high64 Ų6458.1 Ų58.143%0.43229%0.293SS..  trans-105.50.9169.3-65.70000112.2I41 Q43 P58I41-C56 PolarHBondContact O-N 3.3Å; Q43-C56 VanDerWaalsContact CB-SG 3.59Å; C56-P58 WeakPolarHBondContact O-CD 3.5Å
57H97.9Very high96.6Very high75 Ų7551.5 Ų51.535%0.34727%0.265SS..  trans-77.4115178.6-169.8-89.7000110.7I41 S55 E59 L60 N61I41-H57 HydrophobicContact CB-CB 4.47Å; I41-H57 HydrophobicContact CD1-CB 3.97Å; S55-H57 PolarHBondContact OG-N 2.98Å; H57-E59 IonicContact CE1-OE2 3.54Å; H57-E59 PolarHBondContact O-N 3.16Å; H57-L60 HydrophobicContact CB-CB 4.05Å; H57-L60 PolarHBondContact ND1-N 3.34Å; H57-L60 PolarHBondContact O-N 3.08Å; H57-N61 PolarHBondContact O-N 2.86Å; H57-N61 PolarHBondContact O-OD1 3.01Å; H57-N61 VanDerWaalsContact O-OD1 3.14Å
58P97.6Very high96.7Very high99 Ų9948.7 Ų48.764%0.64325%0.253SS*.Hα-helixtrans-57.7-44.7-171.2-26.835.7000114C56 L60 N61 Q62C56-P58 WeakPolarHBondContact O-CD 3.5Å; P58-L60 VanDerWaalsContact C-N 3.35Å; P58-L60 PolarHBondContact O-N 3.17Å; P58-N61 PolarHBondContact O-N 3.04Å; P58-Q62 WeakPolarHBondContact O-CB 3.43Å; P58-Q62 PolarHBondContact O-N 3.17Å
59E97.6Very high96.7Very high151 Ų15152.7 Ų52.771%0.70627%0.272SS*.Hα-helixtrans-70.5-32.4-176.8-56.3178.4168.700112.4H57 Y63H57-E59 IonicContact CE1-OE2 3.54Å; H57-E59 PolarHBondContact O-N 3.16Å; E59-Y63 WeakPolarHBondContact O-CB 3.48Å; E59-Y63 PolarHBondContact O-N 2.89Å
60L97.8Very high96.7Very high7 Ų748.1 Ų48.14%0.03725%0.248CC..Hα-helixtrans-70.8-44.4177.117657.7000109.8L31 Y37 I41 H57 P58 Q62 Y63 I64 F159L31-L60 HydrophobicContact CD1-CD1 4.14Å; L31-L60 HydrophobicContact CD1-CD2 4.35Å; Y37-L60 HydrophobicContact CD1-CD2 4.39Å; Y37-L60 HydrophobicContact CD2-CD1 4.47Å; Y37-L60 HydrophobicContact CD2-CD2 3.71Å; Y37-L60 HydrophobicContact CE1-CD2 4.43Å; Y37-L60 HydrophobicContact CE2-CD1 3.69Å; Y37-L60 HydrophobicContact CE2-CD2 3.75Å; Y37-L60 HydrophobicContact CE2-CG 4.39Å; Y37-L60 HydrophobicContact CG-CD2 4.04Å; I41-L60 HydrophobicContact CD1-CD2 3.8Å; H57-L60 HydrophobicContact CB-CB 4.05Å; H57-L60 PolarHBondContact ND1-N 3.34Å; H57-L60 PolarHBondContact O-N 3.08Å; P58-L60 VanDerWaalsContact C-N 3.35Å; P58-L60 PolarHBondContact O-N 3.17Å; L60-Q62 VanDerWaalsContact C-N 3.31Å; L60-Q62 PolarHBondContact O-N 2.85Å; L60-Y63 PolarHBondContact O-N 2.93Å; L60-I64 HydrophobicContact CD1-CD1 3.9Å; L60-I64 HydrophobicContact CD1-CG1 4.27Å; L60-I64 HydrophobicContact CG-CD1 3.99Å; L60-I64 WeakPolarHBondContact O-CG1 3.29Å; L60-I64 PolarHBondContact O-N 3.3Å; L60-F159 HydrophobicContact CD1-CE1 3.75Å; L60-F159 HydrophobicContact CD1-CZ 3.95Å
61N97.6Very high96.6Very high44 Ų4447.5 Ų47.524%0.23524%0.244CC..Hα-helixtrans-62.2-43.4177.9-64.66.2000110.6H28 S55 H57 P58 I64 Q65H28-N61 PolarHBondContact NE2-OD1 3.08Å; S55-N61 WeakPolarHBondContact CB-OD1 3.34Å; S55-N61 PolarHBondContact O-ND2 2.92Å; S55-N61 PolarHBondContact O-OD1 3.33Å; S55-N61 PolarHBondContact OG-OD1 2.65Å; H57-N61 PolarHBondContact O-N 2.86Å; H57-N61 PolarHBondContact O-OD1 3.01Å; H57-N61 VanDerWaalsContact O-OD1 3.14Å; P58-N61 PolarHBondContact O-N 3.04Å; N61-I64 PolarHBondContact O-N 3.11Å; N61-Q65 VanDerWaalsContact O-CB 3.25Å; N61-Q65 WeakPolarHBondContact O-CB 3.15Å; N61-Q65 PolarHBondContact O-N 3.32Å
62Q97.3Very high96.5Very high92 Ų9246.7 Ų46.743%0.4323%0.233SC..Hα-helixtrans-61.7-46.3176.6-170.561.653.200111.4P58 L60 I64 Q65 D66P58-Q62 WeakPolarHBondContact O-CB 3.43Å; P58-Q62 PolarHBondContact O-N 3.17Å; L60-Q62 VanDerWaalsContact C-N 3.31Å; L60-Q62 PolarHBondContact O-N 2.85Å; Q62-I64 PolarHBondContact O-N 2.95Å; Q62-Q65 PolarHBondContact O-N 3.27Å; Q62-D66 WeakPolarHBondContact CG-OD2 3.49Å; Q62-D66 PolarHBondContact NE2-OD1 2.74Å; Q62-D66 PolarHBondContact NE2-OD2 2.87Å; Q62-D66 WeakPolarHBondContact O-CB 3.47Å; Q62-D66 VanDerWaalsContact O-CG 3.26Å; Q62-D66 PolarHBondContact O-N 3.28Å
63Y97.9Very high96.2Very high78 Ų7847.9 Ų47.931%0.30624%0.241SC..Hα-helixtrans-57.9-47176.9175.8-92000112.6E59 L60 Q65 T67 F159 F182E59-Y63 WeakPolarHBondContact O-CB 3.48Å; E59-Y63 PolarHBondContact O-N 2.89Å; L60-Y63 PolarHBondContact O-N 2.93Å; Y63-Q65 VanDerWaalsContact C-N 3.35Å; Y63-T67 WeakPolarHBondContact O-CB 3.5Å; Y63-T67 PolarHBondContact O-N 3.29Å; Y63-T67 PolarHBondContact O-OG1 3.03Å; Y63-F159 HydrophobicContact CD1-CE2 4.37Å; Y63-F159 AromaticContact CD1-CZ 3.76Å; Y63-F159 HydrophobicContact CD1-CZ 3.76Å; Y63-F159 HydrophobicContact CE1-CE1 4.44Å; Y63-F159 AromaticContact CE1-CE2 3.86Å; Y63-F159 HydrophobicContact CE1-CE2 3.86Å; Y63-F159 AromaticContact CE1-CZ 3.62Å; Y63-F159 HydrophobicContact CE1-CZ 3.62Å; Y63-F182 AromaticContact CD2-CE2 3.71Å; Y63-F182 HydrophobicContact CD2-CE2 3.71Å; Y63-F182 HydrophobicContact CD2-CZ 4.07Å; Y63-F182 AromaticContact CE2-CE2 3.82Å; Y63-F182 HydrophobicContact CE2-CE2 3.82Å; Y63-F182 AromaticContact CE2-CZ 3.83Å; Y63-F182 HydrophobicContact CE2-CZ 3.83Å
64I97.8Very high95.8Very high4 Ų446.2 Ų46.22%0.02123%0.233CC..Hα-helixtrans-64.7-42.8178.6-64.6165.6000110.2E24 V27 L31 L60 N61 Q62 T67 L68 F159E24-I64 HydrophobicContact CG-CG2 4.22Å; V27-I64 HydrophobicContact CB-CG2 4.41Å; V27-I64 HydrophobicContact CG1-CD1 3.9Å; V27-I64 HydrophobicContact CG1-CG1 4.03Å; V27-I64 HydrophobicContact CG1-CG2 4.17Å; L31-I64 HydrophobicContact CD1-CD1 3.94Å; L60-I64 HydrophobicContact CD1-CD1 3.9Å; L60-I64 HydrophobicContact CD1-CG1 4.27Å; L60-I64 HydrophobicContact CG-CD1 3.99Å; L60-I64 WeakPolarHBondContact O-CG1 3.29Å; L60-I64 PolarHBondContact O-N 3.3Å; N61-I64 PolarHBondContact O-N 3.11Å; Q62-I64 PolarHBondContact O-N 2.95Å; I64-T67 PolarHBondContact O-N 3.45Å; I64-L68 HydrophobicContact CG2-CD1 3.98Å; I64-L68 WeakPolarHBondContact O-CG 3.07Å; I64-L68 PolarHBondContact O-N 3.1Å; I64-F159 HydrophobicContact CG1-CZ 4.2Å
65Q96.6Very high95.5Very high108 Ų10845.7 Ų45.751%0.50523%0.23SC..Hα-helixtrans-63.9-46.3179.3-174.6176.3-11.500111.8N61 Q62 Y63 L68 H69N61-Q65 VanDerWaalsContact O-CB 3.25Å; N61-Q65 WeakPolarHBondContact O-CB 3.15Å; N61-Q65 PolarHBondContact O-N 3.32Å; Q62-Q65 PolarHBondContact O-N 3.27Å; Y63-Q65 VanDerWaalsContact C-N 3.35Å; Q65-L68 PolarHBondContact O-N 3.22Å; Q65-H69 VanDerWaalsContact O-CB 3.29Å; Q65-H69 WeakPolarHBondContact O-CB 3.34Å; Q65-H69 PolarHBondContact O-N 3.36Å
66D96Very high95.1Very high34 Ų3448.7 Ų48.718%0.18224%0.244CC..Hα-helixtrans-64.1-42.1178.6-70.7-22.9000111.2Q62 L68 H69 C70 I179 F182Q62-D66 WeakPolarHBondContact CG-OD2 3.49Å; Q62-D66 PolarHBondContact NE2-OD1 2.74Å; Q62-D66 PolarHBondContact NE2-OD2 2.87Å; Q62-D66 WeakPolarHBondContact O-CB 3.47Å; Q62-D66 VanDerWaalsContact O-CG 3.26Å; Q62-D66 PolarHBondContact O-N 3.28Å; D66-L68 PolarHBondContact O-N 3.31Å; D66-H69 PolarHBondContact O-N 3.45Å; D66-C70 PolarHBondContact O-N 2.85Å; D66-C70 PolarHBondContact O-SG 3.14Å; D66-I179 HydrophobicContact CB-CD1 3.68Å; D66-F182 HydrophobicContact CB-CD2 4.03Å; D66-F182 HydrophobicContact CB-CE2 4.17Å; D66-F182 HydrophobicContact CB-CG 4.22Å; D66-F182 HydrophobicContact CB-CZ 4.48Å
67T96.1Very high94.7Very high4 Ų451.3 Ų51.33%0.02525%0.248CC..Hα-helixtrans-55.5-52.2173.4-580000110.8Y63 I64 H69 C70 V71 V161 F182 W184Y63-T67 WeakPolarHBondContact O-CB 3.5Å; Y63-T67 PolarHBondContact O-N 3.29Å; Y63-T67 PolarHBondContact O-OG1 3.03Å; I64-T67 PolarHBondContact O-N 3.45Å; T67-H69 VanDerWaalsContact C-N 3.34Å; T67-H69 PolarHBondContact O-N 2.89Å; T67-C70 WeakPolarHBondContact O-CB 3.37Å; T67-C70 PolarHBondContact O-N 2.78Å; T67-V71 VanDerWaalsContact O-CG2 3.32Å; T67-V71 WeakPolarHBondContact O-CG2 3.34Å; T67-V71 PolarHBondContact O-N 2.87Å; T67-V71 VanDerWaalsContact O-N 3.11Å; T67-V161 HydrophobicContact CG2-CB 3.89Å; T67-V161 HydrophobicContact CG2-CG1 3.98Å; T67-V161 HydrophobicContact CG2-CG2 4.12Å; T67-F182 VanDerWaalsContact OG1-CZ 3.31Å; T67-F182 WeakPolarHBondContact OG1-CZ 3.49Å; T67-W184 HydrophobicContact CG2-CH2 3.84Å; T67-W184 HydrophobicContact CG2-CZ2 3.78Å
68L95.6Very high94.3Very high13 Ų1350 Ų507%0.06824%0.244CC..Hα-helixtrans-71.7-28.7-177.9-66.9173.8000112.9L23 E24 I64 Q65 D66 C70 V71 K72L23-L68 HydrophobicContact CB-CD1 4.36Å; L23-L68 HydrophobicContact CB-CD2 3.75Å; L23-L68 HydrophobicContact CD1-CD2 4.17Å; E24-L68 VanDerWaalsContact CA-CD1 3.42Å; E24-L68 HydrophobicContact CB-CD1 3.52Å; E24-L68 HydrophobicContact CG-CD1 4.2Å; I64-L68 HydrophobicContact CG2-CD1 3.98Å; I64-L68 WeakPolarHBondContact O-CG 3.07Å; I64-L68 PolarHBondContact O-N 3.1Å; Q65-L68 PolarHBondContact O-N 3.22Å; D66-L68 PolarHBondContact O-N 3.31Å; L68-C70 VanDerWaalsContact C-N 3.34Å; L68-V71 PolarHBondContact O-N 3.27Å; L68-K72 PolarHBondContact O-N 2.97Å
69H93.7Very high94Very high101 Ų10146.1 Ų46.147%0.46822%0.218SC..Hα-helixtrans-64.1-40.8173.3-166.376.4000111.4Q65 D66 T67 P73 I179Q65-H69 VanDerWaalsContact O-CB 3.29Å; Q65-H69 WeakPolarHBondContact O-CB 3.34Å; Q65-H69 PolarHBondContact O-N 3.36Å; D66-H69 PolarHBondContact O-N 3.45Å; T67-H69 VanDerWaalsContact C-N 3.34Å; T67-H69 PolarHBondContact O-N 2.89Å; H69-P73 WeakPolarHBondContact O-CD 3.42Å; H69-I179 HydrophobicContact CB-CD1 4.23Å
70C92.4Very high93.8Very high0 Ų039 Ų390%018%0.184CC..Hα-helixtrans-66.6-34.7172-73.90000113.1D66 T67 L68 P73 I176 W184D66-C70 PolarHBondContact O-N 2.85Å; D66-C70 PolarHBondContact O-SG 3.14Å; T67-C70 WeakPolarHBondContact O-CB 3.37Å; T67-C70 PolarHBondContact O-N 2.78Å; L68-C70 VanDerWaalsContact C-N 3.34Å; C70-P73 WeakPolarHBondContact O-CD 3.47Å; C70-P73 WeakPolarHBondContact O-CG 3.23Å; C70-I176 HydrophobicContact CB-CG1 3.98Å; C70-I176 WeakPolarHBondContact CB-O 3.37Å; C70-I176 PolarHBondContact SG-O 2.87Å; C70-W184 HydrophobicContact CB-CZ2 4.01Å; C70-W184 PolarHBondContact SG-NE1 3.35Å; C70-W184 VanDerWaalsContact SG-NE1 3.4Å
71V93.3Very high93.7Very high0 Ų042.1 Ų42.10%020%0.199CC..Hα-helixtrans-74.1-33179.3174.50000112.5T67 L68 L74 L75 V80 V83 V163 W184T67-V71 VanDerWaalsContact O-CG2 3.32Å; T67-V71 WeakPolarHBondContact O-CG2 3.34Å; T67-V71 PolarHBondContact O-N 2.87Å; T67-V71 VanDerWaalsContact O-N 3.11Å; L68-V71 PolarHBondContact O-N 3.27Å; V71-L74 WeakPolarHBondContact O-CB 3.38Å; V71-L74 PolarHBondContact O-N 2.83Å; V71-L75 HydrophobicContact CG1-CD1 3.8Å; V71-L75 HydrophobicContact CG1-CG 3.93Å; V71-L75 PolarHBondContact O-N 2.84Å; V71-V80 HydrophobicContact CG1-CG2 4.45Å; V71-V83 HydrophobicContact CG1-CG2 4.29Å; V71-V163 HydrophobicContact CG2-CG2 3.66Å; V71-W184 HydrophobicContact CG2-CH2 4.08Å; V71-W184 HydrophobicContact CG2-CZ2 4.14Å
72K92.8Very high93.6Very high56 Ų5641.9 Ų41.924%0.24320%0.196CC..Hα-helixtrans-48.5-53.7-178.2-176.3173.6168.6173.10114.8A16 D17 L68 L74 L75 E76A16-K72 HydrophobicContact CB-CG 4.41Å; D17-K72 WeakPolarHBondContact OD1-CE 3.26Å; D17-K72 IonicContact OD1-NZ 2.58Å; D17-K72 PolarHBondContact OD1-NZ 3.31Å; D17-K72 IonicContact OD2-NZ 3.86Å; L68-K72 PolarHBondContact O-N 2.97Å; K72-L74 PolarHBondContact O-N 3.43Å; K72-L75 WeakPolarHBondContact O-CB 3.36Å; K72-L75 PolarHBondContact O-N 2.96Å; K72-E76 WeakPolarHBondContact CE-OE1 3.23Å; K72-E76 HydrophobicContact CG-CG 4.49Å; K72-E76 WeakPolarHBondContact O-CG 3.48Å; K72-E76 PolarHBondContact O-N 3.02Å
73P91.3Very high93.7Very high27 Ų2737.6 Ų37.618%0.17518%0.176CC..Hα-helixtrans-64-24.3-179.126.1-37.4000113.8H69 C70 K77 V178H69-P73 WeakPolarHBondContact O-CD 3.42Å; C70-P73 WeakPolarHBondContact O-CD 3.47Å; C70-P73 WeakPolarHBondContact O-CG 3.23Å; P73-K77 WeakPolarHBondContact O-CG 3.4Å; P73-K77 PolarHBondContact O-N 3.2Å; P73-V178 HydrophobicContact CG-CG2 3.92Å
74L90.2Very high93.7Very high0 Ų034.1 Ų34.10%016%0.163CC..Hα-helixtrans-75.4-38.7173.3-63.7165.6000110.9V71 K72 K77 N78 D79 V80 V163 T165 N172 K175 I176V71-L74 WeakPolarHBondContact O-CB 3.38Å; V71-L74 PolarHBondContact O-N 2.83Å; K72-L74 PolarHBondContact O-N 3.43Å; L74-K77 PolarHBondContact O-N 2.86Å; L74-N78 PolarHBondContact O-N 2.83Å; L74-N78 VanDerWaalsContact O-N 3.16Å; L74-D79 HydrophobicContact CB-CB 4.36Å; L74-D79 HydrophobicContact CD2-CB 4.05Å; L74-D79 PolarHBondContact O-N 3.03Å; L74-V80 HydrophobicContact CB-CG2 3.42Å; L74-V80 VanDerWaalsContact CB-CG2 3.42Å; L74-V163 HydrophobicContact CD1-CG1 4.42Å; L74-T165 HydrophobicContact CD1-CG2 4.46Å; L74-N172 HydrophobicContact CD2-CB 3.82Å; L74-K175 HydrophobicContact CD2-CB 4.24Å; L74-K175 HydrophobicContact CD2-CD 4.39Å; L74-I176 HydrophobicContact CD1-CB 3.92Å; L74-I176 HydrophobicContact CD1-CD1 3.54Å; L74-I176 HydrophobicContact CD1-CG1 3.66Å
75L91.3Very high93.7Very high0 Ų033.9 Ų33.90%016%0.162CC..Hα-helixtrans-64.1-41.1173.7-72.2171000111.7A16 L19 L23 V71 K72 K77 N78 V80 I102 Q104A16-L75 HydrophobicContact CB-CB 3.77Å; L19-L75 HydrophobicContact CB-CD1 4.09Å; L19-L75 HydrophobicContact CD1-CD2 4.02Å; L23-L75 HydrophobicContact CD1-CD1 4.5Å; V71-L75 HydrophobicContact CG1-CD1 3.8Å; V71-L75 HydrophobicContact CG1-CG 3.93Å; V71-L75 PolarHBondContact O-N 2.84Å; K72-L75 WeakPolarHBondContact O-CB 3.36Å; K72-L75 PolarHBondContact O-N 2.96Å; L75-K77 PolarHBondContact O-N 3.45Å; L75-N78 PolarHBondContact O-N 3.41Å; L75-V80 HydrophobicContact CD2-CB 3.86Å; L75-V80 HydrophobicContact CD2-CG1 4.25Å; L75-V80 HydrophobicContact CD2-CG2 3.95Å; L75-V80 HydrophobicContact CG-CG2 4.08Å; L75-I102 HydrophobicContact CD2-CD1 4.13Å; L75-Q104 PolarHBondContact O-NE2 2.91Å
76E90.3Very high93.8Very high65 Ų6528.8 Ų28.830%0.30414%0.138SC..Hα-helixtrans-58.6-34.2176.9-70.9179.6-178.900112.6Q13 A16 K72Q13-E76 HydrophobicContact CG-CG 4.18Å; A16-E76 HydrophobicContact CB-CB 4.47Å; A16-E76 HydrophobicContact CB-CG 3.62Å; K72-E76 WeakPolarHBondContact CE-OE1 3.23Å; K72-E76 HydrophobicContact CG-CG 4.49Å; K72-E76 WeakPolarHBondContact O-CG 3.48Å; K72-E76 PolarHBondContact O-N 3.02Å
77K87.3Confident93.9Very high119 Ų11927.1 Ų27.152%0.51713%0.129SC..THydrogen-bonded Turntrans-90.2-1178.4-67.1176.2-175.9172.10113.5P73 L74 L75 D79 K175P73-K77 WeakPolarHBondContact O-CG 3.4Å; P73-K77 PolarHBondContact O-N 3.2Å; L74-K77 PolarHBondContact O-N 2.86Å; L75-K77 PolarHBondContact O-N 3.45Å; K77-D79 HydrophobicContact CB-CB 4.45Å; K77-D79 WeakPolarHBondContact CB-OD2 3.46Å; K77-D79 PolarHBondContact O-N 3.5Å; K77-K175 HydrophobicContact CD-CD 4.32Å
78N89.2Confident93.9Very high48 Ų4827.6 Ų27.626%0.25713%0.131SC..THydrogen-bonded Turntrans5630.1-171.3-168.126.3000113L74 L75 V80 Q104 R166L74-N78 PolarHBondContact O-N 2.83Å; L74-N78 VanDerWaalsContact O-N 3.16Å; L75-N78 PolarHBondContact O-N 3.41Å; N78-V80 VanDerWaalsContact C-N 3.3Å; N78-Q104 HydrophobicContact CB-CB 4.49Å; N78-Q104 PolarHBondContact ND2-O 3.34Å; N78-Q104 VanDerWaalsContact ND2-O 3.11Å; N78-Q104 WeakPolarHBondContact OD1-CB 3.45Å; N78-R166 WeakPolarHBondContact O-CD 3.47Å; N78-R166 PolarHBondContact O-NE 3.3Å; N78-R166 PolarHBondContact OD1-NE 3.45Å; N78-R166 PolarHBondContact OD1-NH2 3.49Å
79D91.1Very high93.8Very high18 Ų1827.1 Ų27.110%0.09613%0.128CC..  trans-82-8.1179.4-76.9-25.1000112.1L74 K77 T165 R166 N172 K175L74-D79 HydrophobicContact CB-CB 4.36Å; L74-D79 HydrophobicContact CD2-CB 4.05Å; L74-D79 PolarHBondContact O-N 3.03Å; K77-D79 HydrophobicContact CB-CB 4.45Å; K77-D79 WeakPolarHBondContact CB-OD2 3.46Å; K77-D79 PolarHBondContact O-N 3.5Å; D79-T165 CarbonylContact O-C 3.53Å; D79-T165 WeakPolarHBondContact O-CA 3.47Å; D79-T165 WeakPolarHBondContact O-CB 3.38Å; D79-R166 PolarHBondContact O-N 2.92Å; D79-N172 PolarHBondContact OD2-OD1 2.93Å; D79-K175 IonicContact OD2-NZ 2.78Å; D79-K175 PolarHBondContact OD2-NZ 3.33Å
80V93.9Very high93.8Very high0 Ų028.2 Ų28.20%013%0.132CC..EExtended strand (participates in β ladder)trans-94.3130179.2-176.20000111.2V71 L74 L75 N78 V83 V163 R166V71-V80 HydrophobicContact CG1-CG2 4.45Å; L74-V80 HydrophobicContact CB-CG2 3.42Å; L74-V80 VanDerWaalsContact CB-CG2 3.42Å; L75-V80 HydrophobicContact CD2-CB 3.86Å; L75-V80 HydrophobicContact CD2-CG1 4.25Å; L75-V80 HydrophobicContact CD2-CG2 3.95Å; L75-V80 HydrophobicContact CG-CG2 4.08Å; N78-V80 VanDerWaalsContact C-N 3.3Å; V80-V83 HydrophobicContact CG1-CG2 3.79Å; V80-V163 HydrophobicContact CG1-CG1 4.06Å; V80-V163 HydrophobicContact CG2-CG1 4.16Å; V80-R166 PolarHBondContact O-NE 3.4Å; V80-R166 PolarHBondContact O-NH2 3.05Å
81E95.2Very high93.8Very high74 Ų7432.7 Ų32.735%0.34615%0.153SC..EExtended strand (participates in β ladder)trans-98.3-46.6170.3-169-176.2163.800111.5I102 H164 R166E81-I102 PolarHBondContact O-N 3.38Å; E81-H164 PolarHBondContact N-O 2.82Å; E81-R166 HydrophobicContact CB-CG 4.1Å
82K97.5Very high93.7Very high38 Ų3838.9 Ų38.917%0.16518%0.182CC..EExtended strand (participates in β ladder)trans-138.8139.1-179-45.9-174.9179.2-160.40111.2V84 V99 F100 E101 V163 H164 Y215K82-V84 HydrophobicContact CB-CG2 4.16Å; K82-V99 HydrophobicContact CB-CG1 4.28Å; K82-V99 HydrophobicContact CD-CG1 3.93Å; K82-V99 HydrophobicContact CG-CG1 4.44Å; K82-F100 VanDerWaalsContact CA-O 3.28Å; K82-F100 WeakPolarHBondContact CA-O 3.29Å; K82-E101 WeakPolarHBondContact CE-OE1 3.35Å; K82-E101 HydrophobicContact CG-CB 4.44Å; K82-E101 HydrophobicContact CG-CG 4.34Å; K82-E101 IonicContact NZ-OE1 3.02Å; K82-E101 PolarHBondContact NZ-OE1 2.97Å; K82-V163 WeakPolarHBondContact O-CA 3.33Å; K82-H164 HydrophobicContact CB-CB 3.91Å; K82-H164 HydrophobicContact CG-CB 4.22Å; K82-H164 PolarHBondContact N-O 3.06Å; K82-H164 PolarHBondContact O-N 2.99Å; K82-Y215 PolarHBondContact NZ-OH 2.78Å
83V98Very high93.7Very high3 Ų342.4 Ų42.42%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-110.7128.1162.7-178.70000106.7L23 V71 V80 F100 I102 V161L23-V83 HydrophobicContact CD1-CB 4.43Å; L23-V83 HydrophobicContact CD1-CG1 4.37Å; L23-V83 HydrophobicContact CD1-CG2 4.12Å; L23-V83 HydrophobicContact CD2-CB 4.42Å; L23-V83 HydrophobicContact CD2-CG1 4.35Å; V71-V83 HydrophobicContact CG1-CG2 4.29Å; V80-V83 HydrophobicContact CG1-CG2 3.79Å; V83-F100 HydrophobicContact CB-CB 4.4Å; V83-F100 PolarHBondContact N-O 3.46Å; V83-F100 WeakPolarHBondContact O-CA 3.4Å; V83-F100 WeakPolarHBondContact O-CB 3.14Å; V83-F100 WeakPolarHBondContact O-CD2 3.11Å; V83-F100 PolarHBondContact O-N 3.32Å; V83-I102 HydrophobicContact CG2-CD1 4.1Å; V83-V161 HydrophobicContact CG1-CG1 4.02Å
84V98.4Very high93.9Very high4 Ų441.4 Ų41.42%0.02419%0.187CC..EExtended strand (participates in β ladder)trans-127122.8-172.2-170.70000109.8K82 V86 K97 F98 V99 V161 L162K82-V84 HydrophobicContact CB-CG2 4.16Å; V84-V86 HydrophobicContact CB-CG2 4.48Å; V84-V86 HydrophobicContact CG1-CG2 3.84Å; V84-K97 HydrophobicContact CG1-CB 3.7Å; V84-K97 HydrophobicContact CG1-CD 4.15Å; V84-K97 HydrophobicContact CG1-CG 4.3Å; V84-F98 WeakPolarHBondContact CA-O 3.48Å; V84-V99 HydrophobicContact CG1-CG2 3.91Å; V84-V99 HydrophobicContact CG2-CG1 4.15Å; V84-V99 HydrophobicContact CG2-CG2 4.22Å; V84-V161 CarbonylContact O-C 3.6Å; V84-V161 VanDerWaalsContact O-CA 3.31Å; V84-V161 WeakPolarHBondContact O-CA 3.43Å; V84-L162 HydrophobicContact CB-CB 4.19Å; V84-L162 PolarHBondContact N-O 2.87Å; V84-L162 PolarHBondContact O-N 3.47Å
85V98.5Very high94.1Very high0 Ų041.4 Ų41.40%019%0.187CC..EExtended strand (participates in β ladder)trans-91110.1168.3-174.60000107.4V27 I30 K97 F98 F100 F159V27-V85 HydrophobicContact CG2-CG2 3.73Å; I30-V85 HydrophobicContact CD1-CG2 4.28Å; I30-V85 HydrophobicContact CG2-CG1 4.32Å; V85-K97 CarbonylContact O-C 3.57Å; V85-K97 WeakPolarHBondContact O-CA 3.35Å; V85-F98 HydrophobicContact CB-CB 4.22Å; V85-F98 PolarHBondContact N-O 2.9Å; V85-F98 PolarHBondContact O-N 3.47Å; V85-F100 HydrophobicContact CG2-CE2 4.2Å; V85-F159 HydrophobicContact CG1-CD2 4.13Å
86V98.1Very high94.4Very high0 Ų041.4 Ų41.40%019%0.187CC..EExtended strand (participates in β ladder)trans-98124.5-179.5-176.80000108.4V84 L88 P94 K97 F159 T160 L162V84-V86 HydrophobicContact CB-CG2 4.48Å; V84-V86 HydrophobicContact CG1-CG2 3.84Å; V86-L88 HydrophobicContact CG1-CD2 3.72Å; V86-L88 HydrophobicContact CG1-CG 4.31Å; V86-P94 HydrophobicContact CG1-CB 4.01Å; V86-P94 HydrophobicContact CG1-CG 4.2Å; V86-K97 HydrophobicContact CG1-CG 4.22Å; V86-K97 HydrophobicContact CG2-CD 4.21Å; V86-K97 HydrophobicContact CG2-CG 4.09Å; V86-F159 CarbonylContact O-C 3.54Å; V86-F159 WeakPolarHBondContact O-CA 3.38Å; V86-F159 WeakPolarHBondContact O-CB 3.47Å; V86-T160 HydrophobicContact CB-CG2 3.87Å; V86-T160 HydrophobicContact CG1-CG2 4.44Å; V86-T160 HydrophobicContact CG2-CG2 4.46Å; V86-T160 PolarHBondContact N-O 2.89Å; V86-T160 PolarHBondContact O-N 2.93Å; V86-L162 HydrophobicContact CG2-CD1 3.6Å; V86-L162 HydrophobicContact CG2-CG 3.77Å
87I97.7Very high94.8Very high0 Ų039 Ų390%018%0.175CC..EExtended strand (participates in β ladder)trans-94129.9170.2-56.5-175.4000107.6I30 R34 V36 V95 E96 F98 C157 T158I30-I87 HydrophobicContact CG2-CD1 4.42Å; R34-I87 HydrophobicContact CB-CD1 3.64Å; R34-I87 HydrophobicContact CG-CD1 3.8Å; V36-I87 HydrophobicContact CG2-CD1 3.95Å; V36-I87 HydrophobicContact CG2-CG1 4.37Å; V36-I87 HydrophobicContact CG2-CG2 4.31Å; I87-V95 HydrophobicContact CB-CG2 3.89Å; I87-V95 HydrophobicContact CG2-CG2 3.59Å; I87-V95 VanDerWaalsContact O-CG2 3.27Å; I87-V95 WeakPolarHBondContact O-CG2 3.17Å; I87-V95 PolarHBondContact O-N 3.48Å; I87-E96 HydrophobicContact CB-CB 4.23Å; I87-E96 HydrophobicContact CD1-CB 4.42Å; I87-E96 WeakPolarHBondContact CD1-OE2 3.4Å; I87-E96 HydrophobicContact CG1-CB 4.48Å; I87-E96 PolarHBondContact N-O 2.69Å; I87-F98 HydrophobicContact CD1-CE2 3.98Å; I87-C157 HydrophobicContact CG2-CB 3.73Å; I87-T158 WeakPolarHBondContact CA-O 3.5Å
88L96Very high95.3Very high13 Ų1333.3 Ų33.37%0.06815%0.151CC..EExtended strand (participates in β ladder)trans-112.5142.3-177.3-58.4172.3000109.6V86 R93 P94 C157 T158 T160V86-L88 HydrophobicContact CG1-CD2 3.72Å; V86-L88 HydrophobicContact CG1-CG 4.31Å; L88-R93 WeakPolarHBondContact CA-O 3.47Å; L88-P94 HydrophobicContact CD2-CB 4.46Å; L88-P94 HydrophobicContact CD2-CG 4.01Å; L88-C157 CarbonylContact O-C 3.53Å; L88-C157 WeakPolarHBondContact O-CA 3.29Å; L88-C157 WeakPolarHBondContact O-CB 3.47Å; L88-C157 PolarHBondContact O-SG 3.03Å; L88-C157 VanDerWaalsContact O-SG 3.34Å; L88-T158 PolarHBondContact N-O 3.32Å; L88-T158 PolarHBondContact O-N 2.81Å; L88-T160 HydrophobicContact CD1-CG2 4.06Å
89D94.2Very high95.8Very high3 Ų331.1 Ų31.12%0.01614%0.139CC..  trans-75.7178.8167.961.429.7000112.1E91 H92 R93 V95 R219D89-E91 PolarHBondContact O-N 3.41Å; D89-E91 WeakPolarHBondContact OD1-CA 3.36Å; D89-E91 WeakPolarHBondContact OD1-CB 3.47Å; D89-E91 PolarHBondContact OD1-N 3.32Å; D89-H92 WeakPolarHBondContact O-CA 3.37Å; D89-H92 PolarHBondContact O-N 2.84Å; D89-H92 PolarHBondContact OD1-N 3.19Å; D89-R93 PolarHBondContact N-O 3.44Å; D89-R93 WeakPolarHBondContact OD1-CB 3.43Å; D89-R93 PolarHBondContact OD1-N 2.84Å; D89-R93 IonicContact OD1-NE 3.39Å; D89-R93 IonicContact OD2-CZ 2.77Å; D89-R93 IonicContact OD2-NE 3.73Å; D89-R93 PolarHBondContact OD2-NE 3.47Å; D89-R93 IonicContact OD2-NH2 3.66Å; D89-V95 HydrophobicContact CB-CG1 3.81Å; D89-R219 IonicContact OD2-CZ 2.7Å; D89-R219 IonicContact OD2-NH1 3.34Å; D89-R219 PolarHBondContact OD2-NH1 3.47Å; D89-R219 IonicContact OD2-NH2 2.66Å; D89-R219 PolarHBondContact OD2-NH2 2.89Å
90K93.5Very high96.1Very high124 Ų12430.3 Ų30.354%0.53914%0.135SC..THydrogen-bonded Turntrans-61.6-18.1178.268-169.5174.5-169.40113.8H92K90-H92 VanDerWaalsContact C-N 3.33Å
91E91.6Very high96.3Very high94 Ų9432.6 Ų32.644%0.43915%0.145SC..THydrogen-bonded Turntrans-94.213.2172.4-64.783-158.600112.6D89 R93D89-E91 PolarHBondContact O-N 3.41Å; D89-E91 WeakPolarHBondContact OD1-CA 3.36Å; D89-E91 WeakPolarHBondContact OD1-CB 3.47Å; D89-E91 PolarHBondContact OD1-N 3.32Å; E91-R93 HydrophobicContact CB-CG 4.37Å; E91-R93 PolarHBondContact O-N 3.26Å; E91-R93 IonicContact OE2-CZ 3.38Å; E91-R93 IonicContact OE2-NH2 2.61Å; E91-R93 PolarHBondContact OE2-NH2 2.81Å
92H91.8Very high96.3Very high131 Ų13129 Ų2961%0.60613%0.129SC*.SBendtrans60.128.8-177.8-60.9-80.9000114.2D89 K90D89-H92 WeakPolarHBondContact O-CA 3.37Å; D89-H92 PolarHBondContact O-N 2.84Å; D89-H92 PolarHBondContact OD1-N 3.19Å; K90-H92 VanDerWaalsContact C-N 3.33Å
93R92.5Very high96.1Very high129 Ų12930 Ų3049%0.48714%0.138SC..  trans-98.4137.7176.2-61173.5-68.1-173-6.5110.9L88 D89 E91 V95L88-R93 WeakPolarHBondContact CA-O 3.47Å; D89-R93 PolarHBondContact N-O 3.44Å; D89-R93 WeakPolarHBondContact OD1-CB 3.43Å; D89-R93 PolarHBondContact OD1-N 2.84Å; D89-R93 IonicContact OD1-NE 3.39Å; D89-R93 IonicContact OD2-CZ 2.77Å; D89-R93 IonicContact OD2-NE 3.73Å; D89-R93 PolarHBondContact OD2-NE 3.47Å; D89-R93 IonicContact OD2-NH2 3.66Å; E91-R93 HydrophobicContact CB-CG 4.37Å; E91-R93 PolarHBondContact O-N 3.26Å; E91-R93 IonicContact OE2-CZ 3.38Å; E91-R93 IonicContact OE2-NH2 2.61Å; E91-R93 PolarHBondContact OE2-NH2 2.81Å; R93-V95 PolarHBondContact O-N 3.5Å
94P95.3Very high95.6Very high6 Ų631 Ų314%0.03914%0.142CC..EExtended strand (participates in β ladder)trans-55.9127.6174-26.435.5000112.4V86 L88 M194 R219V86-P94 HydrophobicContact CG1-CB 4.01Å; V86-P94 HydrophobicContact CG1-CG 4.2Å; L88-P94 HydrophobicContact CD2-CB 4.46Å; L88-P94 HydrophobicContact CD2-CG 4.01Å; P94-M194 HydrophobicContact CB-CB 4.46Å; P94-M194 HydrophobicContact CB-SD 4.25Å; P94-R219 PolarHBondContact O-NH1 3.2Å
95V95.6Very high94.7Very high0 Ų032 Ų320%015%0.149CC..EExtended strand (participates in β ladder)trans-109.3-37.1172.6-66.50000112.2I87 D89 R93 P154 R219I87-V95 HydrophobicContact CB-CG2 3.89Å; I87-V95 HydrophobicContact CG2-CG2 3.59Å; I87-V95 VanDerWaalsContact O-CG2 3.27Å; I87-V95 WeakPolarHBondContact O-CG2 3.17Å; I87-V95 PolarHBondContact O-N 3.48Å; D89-V95 HydrophobicContact CB-CG1 3.81Å; R93-V95 PolarHBondContact O-N 3.5Å; V95-P154 HydrophobicContact CG1-CG 4.4Å; V95-R219 WeakPolarHBondContact O-CB 3.26Å; V95-R219 PolarHBondContact O-N 3.41Å
96E97.3Very high93.4Very high0 Ų036.7 Ų36.70%018%0.179CC..EExtended strand (participates in β ladder)trans-144.5147.5178.6-62.5-174.214600109.9R34 I87 F98 N153 V216 E217 K222R34-E96 IonicContact CZ-OE1 2.93Å; R34-E96 IonicContact CZ-OE2 3.38Å; R34-E96 IonicContact NE-OE1 3.88Å; R34-E96 PolarHBondContact NE-OE1 3.18Å; R34-E96 IonicContact NE-OE2 3.77Å; R34-E96 PolarHBondContact NE-OE2 2.77Å; R34-E96 IonicContact NH2-OE1 2.87Å; R34-E96 PolarHBondContact NH2-OE1 3.46Å; R34-E96 IonicContact NH2-OE2 2.64Å; R34-E96 PolarHBondContact NH2-OE2 2.84Å; I87-E96 HydrophobicContact CB-CB 4.23Å; I87-E96 HydrophobicContact CD1-CB 4.42Å; I87-E96 WeakPolarHBondContact CD1-OE2 3.4Å; I87-E96 HydrophobicContact CG1-CB 4.48Å; I87-E96 PolarHBondContact N-O 2.69Å; E96-F98 HydrophobicContact CB-CE2 4.35Å; E96-N153 WeakPolarHBondContact CG-OD1 3.08Å; E96-N153 PolarHBondContact OE1-OD1 2.96Å; E96-N153 PolarHBondContact OE2-ND2 2.91Å; E96-N153 PolarHBondContact OE2-OD1 3.11Å; E96-V216 HydrophobicContact CB-CG1 4.4Å; E96-E217 CarbonylContact C-O 3.53Å; E96-E217 VanDerWaalsContact CA-O 3.31Å; E96-E217 WeakPolarHBondContact CA-O 3.39Å; E96-K222 IonicContact OE1-NZ 3.72Å; E96-K222 PolarHBondContact OE1-NZ 3.44Å
97K98.2Very high91.6Very high14 Ų1438.9 Ų38.96%0.06119%0.191CC..EExtended strand (participates in β ladder)trans-132.7118.9170.1-56-170.4-159.7147.80110.5V84 V85 V86 V99 V192 M194 V216 E217V84-K97 HydrophobicContact CG1-CB 3.7Å; V84-K97 HydrophobicContact CG1-CD 4.15Å; V84-K97 HydrophobicContact CG1-CG 4.3Å; V85-K97 CarbonylContact O-C 3.57Å; V85-K97 WeakPolarHBondContact O-CA 3.35Å; V86-K97 HydrophobicContact CG1-CG 4.22Å; V86-K97 HydrophobicContact CG2-CD 4.21Å; V86-K97 HydrophobicContact CG2-CG 4.09Å; K97-V99 HydrophobicContact CB-CG2 4.18Å; K97-V99 PolarHBondContact O-N 3.39Å; K97-V192 WeakPolarHBondContact CE-O 3.39Å; K97-V192 PolarHBondContact NZ-O 3.04Å; K97-M194 HydrophobicContact CG-CE 4.21Å; K97-V216 CarbonylContact O-C 3.6Å; K97-V216 VanDerWaalsContact O-CA 3.23Å; K97-V216 WeakPolarHBondContact O-CA 3.49Å; K97-E217 HydrophobicContact CB-CB 4.13Å; K97-E217 WeakPolarHBondContact CD-OE2 3.49Å; K97-E217 PolarHBondContact N-O 3.26Å; K97-E217 IonicContact NZ-OE2 3.06Å; K97-E217 PolarHBondContact NZ-OE2 2.86Å; K97-E217 PolarHBondContact O-N 3.01Å
98F98.6Very high89.3Confident0 Ų045.3 Ų45.30%023%0.225CC..EExtended strand (participates in β ladder)trans-88.3102.7170.6-69.6-103.3000108.3I30 R34 V84 V85 I87 E96 F100 L150 L202 L214 V216I30-F98 HydrophobicContact CD1-CB 3.72Å; I30-F98 HydrophobicContact CD1-CD1 3.7Å; I30-F98 HydrophobicContact CD1-CD2 4.39Å; I30-F98 HydrophobicContact CD1-CE1 4.45Å; I30-F98 HydrophobicContact CD1-CG 3.68Å; I30-F98 HydrophobicContact CG1-CD1 3.83Å; I30-F98 HydrophobicContact CG1-CE1 4.08Å; I30-F98 HydrophobicContact CG1-CG 4.1Å; I30-F98 HydrophobicContact CG2-CD1 4.43Å; I30-F98 HydrophobicContact CG2-CD2 3.74Å; I30-F98 HydrophobicContact CG2-CE1 4.42Å; I30-F98 HydrophobicContact CG2-CE2 3.75Å; I30-F98 HydrophobicContact CG2-CG 4.11Å; I30-F98 HydrophobicContact CG2-CZ 4.11Å; R34-F98 HydrophobicContact CG-CE2 3.95Å; R34-F98 HydrophobicContact CG-CZ 3.78Å; V84-F98 WeakPolarHBondContact CA-O 3.48Å; V85-F98 HydrophobicContact CB-CB 4.22Å; V85-F98 PolarHBondContact N-O 2.9Å; V85-F98 PolarHBondContact O-N 3.47Å; I87-F98 HydrophobicContact CD1-CE2 3.98Å; E96-F98 HydrophobicContact CB-CE2 4.35Å; F98-F100 HydrophobicContact CB-CE2 4.28Å; F98-L150 HydrophobicContact CE1-CD1 4.24Å; F98-L150 HydrophobicContact CZ-CD1 3.7Å; F98-L202 HydrophobicContact CD1-CD1 4.4Å; F98-L202 HydrophobicContact CE1-CD1 4.26Å; F98-L214 HydrophobicContact CB-CD1 4.38Å; F98-V216 HydrophobicContact CD1-CG2 3.6Å; F98-V216 HydrophobicContact CE1-CG2 3.53Å; F98-V216 HydrophobicContact CE2-CG1 4.47Å; F98-V216 HydrophobicContact CG-CG2 4.16Å; F98-V216 HydrophobicContact CZ-CG2 4.02Å
99V98.6Very high86.9Confident3 Ų346.9 Ų46.92%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-96.2114.2-174-176.70000109.7K82 V84 K97 L214 Y215 E217K82-V99 HydrophobicContact CB-CG1 4.28Å; K82-V99 HydrophobicContact CD-CG1 3.93Å; K82-V99 HydrophobicContact CG-CG1 4.44Å; V84-V99 HydrophobicContact CG1-CG2 3.91Å; V84-V99 HydrophobicContact CG2-CG1 4.15Å; V84-V99 HydrophobicContact CG2-CG2 4.22Å; K97-V99 HydrophobicContact CB-CG2 4.18Å; K97-V99 PolarHBondContact O-N 3.39Å; V99-L214 WeakPolarHBondContact O-CA 3.34Å; V99-Y215 HydrophobicContact CB-CD1 4.33Å; V99-Y215 HydrophobicContact CB-CD2 4.03Å; V99-Y215 HydrophobicContact CB-CE1 3.94Å; V99-Y215 HydrophobicContact CB-CE2 3.62Å; V99-Y215 HydrophobicContact CB-CG 4.38Å; V99-Y215 HydrophobicContact CG1-CE1 3.75Å; V99-Y215 HydrophobicContact CG1-CE2 4.01Å; V99-Y215 VanDerWaalsContact CG1-CZ 3.44Å; V99-Y215 WeakPolarHBondContact CG1-OH 3.49Å; V99-Y215 HydrophobicContact CG2-CD2 4.24Å; V99-Y215 HydrophobicContact CG2-CE2 3.67Å; V99-Y215 PolarHBondContact N-O 3.42Å; V99-Y215 PolarHBondContact O-N 2.82Å; V99-E217 HydrophobicContact CG2-CG 4.12Å
100F98.5Very high84.7Confident0 Ų050.1 Ų50.10%025%0.253CS..EExtended strand (participates in β ladder)trans-94.795.4169-59.8-94.5000108.5F22 L23 A26 I30 K82 V83 V85 F98 M212 Q213 L214F22-F100 AromaticContact CE1-CD1 3.88Å; F22-F100 HydrophobicContact CE1-CD1 3.88Å; F22-F100 AromaticContact CE1-CE1 3.7Å; F22-F100 HydrophobicContact CE1-CE1 3.7Å; F22-F100 AromaticContact CZ-CE1 3.99Å; F22-F100 HydrophobicContact CZ-CE1 3.99Å; L23-F100 HydrophobicContact CD2-CB 4.19Å; L23-F100 HydrophobicContact CD2-CD1 3.95Å; L23-F100 HydrophobicContact CD2-CD2 3.99Å; L23-F100 HydrophobicContact CD2-CE1 4.3Å; L23-F100 HydrophobicContact CD2-CE2 4.35Å; L23-F100 HydrophobicContact CD2-CG 3.77Å; L23-F100 HydrophobicContact CD2-CZ 4.49Å; A26-F100 HydrophobicContact CB-CE1 4.05Å; A26-F100 HydrophobicContact CB-CZ 3.79Å; I30-F100 HydrophobicContact CD1-CE2 3.99Å; I30-F100 HydrophobicContact CD1-CZ 3.86Å; K82-F100 VanDerWaalsContact CA-O 3.28Å; K82-F100 WeakPolarHBondContact CA-O 3.29Å; V83-F100 HydrophobicContact CB-CB 4.4Å; V83-F100 PolarHBondContact N-O 3.46Å; V83-F100 WeakPolarHBondContact O-CA 3.4Å; V83-F100 WeakPolarHBondContact O-CB 3.14Å; V83-F100 WeakPolarHBondContact O-CD2 3.11Å; V83-F100 PolarHBondContact O-N 3.32Å; V85-F100 HydrophobicContact CG2-CE2 4.2Å; F98-F100 HydrophobicContact CB-CE2 4.28Å; F100-M212 HydrophobicContact CD1-SD 4.36Å; F100-Q213 CarbonylContact C-O 3.5Å; F100-Q213 WeakPolarHBondContact CA-O 3.36Å; F100-L214 HydrophobicContact CD1-CD1 3.92Å; F100-L214 HydrophobicContact CD2-CD1 4.26Å; F100-L214 HydrophobicContact CE1-CD1 3.71Å; F100-L214 HydrophobicContact CE1-CD2 4.07Å; F100-L214 HydrophobicContact CE1-CG 4.34Å; F100-L214 HydrophobicContact CE2-CD1 4.06Å; F100-L214 HydrophobicContact CG-CD1 4.19Å; F100-L214 HydrophobicContact CZ-CD1 3.78Å; F100-L214 HydrophobicContact CZ-CD2 4.43Å
101E97.9Very high82.2Confident48 Ų4852.9 Ų52.922%0.22426%0.26CS..EExtended strand (participates in β ladder)trans-84.7119.2175.1-174.8171.6-122.700109.5K82 M212 Q213 Y215K82-E101 WeakPolarHBondContact CE-OE1 3.35Å; K82-E101 HydrophobicContact CG-CB 4.44Å; K82-E101 HydrophobicContact CG-CG 4.34Å; K82-E101 IonicContact NZ-OE1 3.02Å; K82-E101 PolarHBondContact NZ-OE1 2.97Å; E101-M212 CarbonylContact O-C 3.41Å; E101-M212 VanDerWaalsContact O-CA 3.25Å; E101-M212 WeakPolarHBondContact O-CA 3.38Å; E101-Q213 HydrophobicContact CB-CB 4.36Å; E101-Q213 PolarHBondContact N-O 3.16Å; E101-Q213 PolarHBondContact O-N 3.01Å; E101-Y215 HydrophobicContact CB-CE1 4.38Å
102I95.4Very high79.6Confident0 Ų058.2 Ų58.20%028%0.276CS..EExtended strand (participates in β ladder)trans-116.9131.9-168.6-60.2169.6000109.1L19 L75 E81 V83 Q104 R166 L210 M212L19-I102 HydrophobicContact CD1-CD1 4.49Å; L19-I102 HydrophobicContact CD1-CG2 4Å; L75-I102 HydrophobicContact CD2-CD1 4.13Å; E81-I102 PolarHBondContact O-N 3.38Å; V83-I102 HydrophobicContact CG2-CD1 4.1Å; I102-Q104 HydrophobicContact CG2-CG 4.41Å; I102-R166 PolarHBondContact O-NH2 3.06Å; I102-L210 HydrophobicContact CG2-CD1 3.97Å; I102-M212 HydrophobicContact CG1-CG 4.31Å; I102-M212 HydrophobicContact CG1-SD 4.38Å
103T92.6Very high77.2Confident59 Ų5955.8 Ų55.836%0.36228%0.279SS..EExtended strand (participates in β ladder)trans-135.2117172.3-64.30000109.8P105 K211T103-P105 WeakPolarHBondContact O-CD 3.38Å; T103-K211 PolarHBondContact N-O 3.3Å; T103-K211 PolarHBondContact O-N 2.72Å
104Q86.6Confident74.6Confident22 Ų2253 Ų5310%0.10328%0.283CS..  trans-97.8105.5172.8-52.4178.235.900108.4V15 L75 N78 I102V15-Q104 HydrophobicContact CG1-CG 4.42Å; L75-Q104 PolarHBondContact O-NE2 2.91Å; N78-Q104 HydrophobicContact CB-CB 4.49Å; N78-Q104 PolarHBondContact ND2-O 3.34Å; N78-Q104 VanDerWaalsContact ND2-O 3.11Å; N78-Q104 WeakPolarHBondContact OD1-CB 3.45Å; I102-Q104 HydrophobicContact CG2-CG 4.41Å
105P80.6Confident72.1Confident27 Ų2759.5 Ų59.518%0.17533%0.326CS..  trans-64.5144.5177.826.8-33.9000110.9T103 L107 D208T103-P105 WeakPolarHBondContact O-CD 3.38Å; P105-L107 PolarHBondContact O-N 3.1Å; P105-D208 WeakPolarHBondContact CG-O 3.21Å
106P70.5Confident69.8Low97 Ų9763 Ų6363%0.6336%0.355SS*.  trans-63131.6177.822.9-30.4000110.7L108 S109P106-L108 PolarHBondContact O-N 2.88Å; P106-S109 PolarHBondContact O-N 2.93Å; P106-S109 PolarHBondContact O-OG 2.82Å
107L60.3Low67.2Low47 Ų4769 Ų6925%0.24639%0.394CS..THydrogen-bonded Turntrans-51.4-22.1-175.9-76.5172.2000115.3D8 F11 P105 S109 I110D8-L107 HydrophobicContact CB-CD1 3.97Å; D8-L107 WeakPolarHBondContact OD1-CD1 3.21Å; F11-L107 HydrophobicContact CB-CD1 4.07Å; F11-L107 HydrophobicContact CD1-CD1 4.01Å; F11-L107 HydrophobicContact CD1-CD2 3.53Å; F11-L107 HydrophobicContact CD1-CG 4.15Å; F11-L107 HydrophobicContact CE1-CD2 3.72Å; F11-L107 HydrophobicContact CG-CD1 4.18Å; F11-L107 HydrophobicContact CG-CD2 4.01Å; F11-L107 HydrophobicContact CZ-CD2 4.38Å; P105-L107 PolarHBondContact O-N 3.1Å; L107-S109 PolarHBondContact O-N 2.96Å; L107-I110 HydrophobicContact CD2-CD1 3.65Å; L107-I110 WeakPolarHBondContact O-CB 3.34Å; L107-I110 PolarHBondContact O-N 2.64Å; L107-I110 VanDerWaalsContact O-N 3.1Å
108L50.2Low64.8Low135 Ų13579.7 Ų79.771%0.70743%0.434SS*.Hα-helixtrans-55.1-32.4172.7-79.9159.5000112P106 I110 R111P106-L108 PolarHBondContact O-N 2.88Å; L108-I110 PolarHBondContact O-N 2.76Å; L108-R111 PolarHBondContact O-N 3.39Å; L108-R111 VanDerWaalsContact O-N 3.15Å
109S44.6Very low62.1Low46 Ų4684.8 Ų84.832%0.32247%0.467SS..Hα-helixtrans-65-19.4178.552.20000115.2P106 L107P106-S109 PolarHBondContact O-N 2.93Å; P106-S109 PolarHBondContact O-OG 2.82Å; L107-S109 PolarHBondContact O-N 2.96Å
110I48.2Very low59.4Low70 Ų7092.6 Ų92.636%0.35951%0.508SS..Hα-helixtrans-82.7-25.4177.5-49.3-177.9000111.1L107 L108 D208 I209L107-I110 HydrophobicContact CD2-CD1 3.65Å; L107-I110 WeakPolarHBondContact O-CB 3.34Å; L107-I110 PolarHBondContact O-N 2.64Å; L107-I110 VanDerWaalsContact O-N 3.1Å; L108-I110 PolarHBondContact O-N 2.76Å; I110-D208 HydrophobicContact CD1-CB 4.25Å; I110-D208 HydrophobicContact CG1-CB 4.24Å; I110-I209 HydrophobicContact CD1-CG2 3.69Å
111R41Very low56.7Low183 Ų18398 Ų9869%0.69155%0.553SS**Hα-helixtrans-91.7-17-174.3-62.3-152.9-157.7-106.18.2115.3L108L108-R111 PolarHBondContact O-N 3.39Å; L108-R111 VanDerWaalsContact O-N 3.15Å
112W38.5Very low54Low205 Ų20598.8 Ų98.878%0.77757%0.574SS**SBendtrans-102.2-9.4-176.774.8-95.2000114.8A114W112-A114 VanDerWaalsContact C-N 3.35Å; W112-A114 PolarHBondContact O-N 3.39Å
113A40.8Very low51.7Low80 Ų80103.3 Ų103.366%0.66161%0.605SS**SBendtrans-82.33.3-174.600000115.6
114A37.9Very low50.1Low70 Ų70104.7 Ų104.758%0.57962%0.617SS**  trans-150.7123.9176.300000114.3W112 A116W112-A114 VanDerWaalsContact C-N 3.35Å; W112-A114 PolarHBondContact O-N 3.39Å; A114-A116 HydrophobicContact CB-CB 4.4Å; A114-A116 PolarHBondContact O-N 3.48Å
115P42.6Very low48.8Very low143 Ų143106.8 Ų106.893%0.92963%0.634SS**  trans-85.182.5151.733-24000107.9
116A47.2Very low48.2Very low74 Ų74110.7 Ų110.761%0.61265%0.654SS**  trans-143.2146.1173.300000110.7A114A114-A116 HydrophobicContact CB-CB 4.4Å; A114-A116 PolarHBondContact O-N 3.48Å
117P42.9Very low48.4Very low126 Ų126109.9 Ų109.982%0.81865%0.65SS**  trans-65.9140.1-16526.8-32.8000111.5
118R47.7Very low49Very low238 Ų238109.5 Ų109.590%0.89865%0.648SS**  trans-44.8123.8179.8-59.2173.7-178.7178.7-0.7111.3
119P40.9Very low50.4Low108 Ų108105.7 Ų105.770%0.70163%0.628SS**  trans-75.7141.6157.318.4-6.6000108.6A121P119-A121 PolarHBondContact O-N 3.09Å
120L42.4Very low52.3Low167 Ų167106 Ų10687%0.87463%0.63SS**  trans-46.9130.3173.8-70.6146.5000110.2G122L120-G122 PolarHBondContact O-N 3.01Å
121A42.4Very low54.1Low114 Ų114106.8 Ų106.894%0.94263%0.632SS**THydrogen-bonded Turntrans-56.8108.618000000110P119P119-A121 PolarHBondContact O-N 3.09Å
122G41.7Very low56.4Low64 Ų6498.1 Ų98.166%0.6660%0.6SS**THydrogen-bonded Turntrans157.5-15.6173.700000117.1L120L120-G122 PolarHBondContact O-N 3.01Å
123S46Very low58.8Low95 Ų9592.1 Ų92.166%0.66458%0.58SS**SBendtrans-120.9-1.7-168.5-1680000116.5
124S59.4Low61.2Low88 Ų8893.5 Ų93.562%0.61557%0.573SS**Hα-helixtrans-93.8-32.2-170.457.60000115L128S124-L128 WeakPolarHBondContact O-CB 3.39Å; S124-L128 PolarHBondContact O-N 3.43Å
125S60.1Low63.9Low65 Ų6592.1 Ų92.146%0.45556%0.556SS.*Hα-helixtrans-69.6-45.2-179.849.30000111.9S127 L128 L129S125-S127 PolarHBondContact O-N 2.94Å; S125-L128 PolarHBondContact O-N 2.87Å; S125-L128 VanDerWaalsContact O-N 3.09Å; S125-L129 WeakPolarHBondContact O-CG 3.33Å; S125-L129 PolarHBondContact O-N 3.44Å
126D66.3Low66.5Low110 Ų11085.3 Ų85.359%0.58851%0.511SS*.Hα-helixtrans-69.6-36.6-174.5-63.60000111.5L128 S130D126-L128 VanDerWaalsContact C-N 3.27Å; D126-L128 PolarHBondContact O-N 2.83Å; D126-S130 WeakPolarHBondContact O-CB 3.37Å; D126-S130 PolarHBondContact O-N 3.2Å; D126-S130 PolarHBondContact O-OG 3.09Å
127S74.4Confident68.8Low79 Ų7984.8 Ų84.855%0.55249%0.494SS*.Hα-helixtrans-64.9-32.8172.1-176.20000112.3S125 S130 H131S125-S127 PolarHBondContact O-N 2.94Å; S127-S130 WeakPolarHBondContact CA-OG 3Å; S127-S130 PolarHBondContact O-OG 3.22Å; S127-H131 WeakPolarHBondContact O-CB 3.25Å; S127-H131 PolarHBondContact O-N 3.28Å
128L74.9Confident71.4Confident40 Ų4080.1 Ų80.121%0.20947%0.465CS..Hα-helixtrans-80.3-40-179-177.2145.2000111.4S124 S125 D126 H131 V132 D208 I209S124-L128 WeakPolarHBondContact O-CB 3.39Å; S124-L128 PolarHBondContact O-N 3.43Å; S125-L128 PolarHBondContact O-N 2.87Å; S125-L128 VanDerWaalsContact O-N 3.09Å; D126-L128 VanDerWaalsContact C-N 3.27Å; D126-L128 PolarHBondContact O-N 2.83Å; L128-H131 WeakPolarHBondContact O-CB 3.44Å; L128-H131 PolarHBondContact O-N 3.46Å; L128-V132 PolarHBondContact O-N 3.3Å; L128-D208 HydrophobicContact CD1-CB 4.41Å; L128-I209 HydrophobicContact CD1-CG2 4.08Å; L128-I209 HydrophobicContact CD2-CB 4.35Å; L128-I209 HydrophobicContact CD2-CD1 3.28Å; L128-I209 HydrophobicContact CD2-CG1 3.69Å; L128-I209 HydrophobicContact CD2-CG2 3.78Å
129L79.1Confident73.8Confident54 Ų5468.8 Ų68.828%0.28342%0.423SS..Hα-helixtrans-65.5-42.4174.9-68.4175.7000111.6V14 V18 S125 H131 V132 E133V14-L129 HydrophobicContact CG1-CD1 4.04Å; V14-L129 HydrophobicContact CG1-CD2 3.74Å; V18-L129 HydrophobicContact CG2-CD2 4.36Å; S125-L129 WeakPolarHBondContact O-CG 3.33Å; S125-L129 PolarHBondContact O-N 3.44Å; L129-H131 VanDerWaalsContact C-N 3.3Å; L129-H131 PolarHBondContact O-N 3Å; L129-V132 PolarHBondContact O-N 3.32Å; L129-E133 WeakPolarHBondContact O-CB 3.49Å; L129-E133 PolarHBondContact O-N 2.93Å
130S84.9Confident76.5Confident52 Ų5263.6 Ų63.636%0.36439%0.389SS..Hα-helixtrans-63.7-34.6173.555.90000112.5D126 S127 E133 Q134D126-S130 WeakPolarHBondContact O-CB 3.37Å; D126-S130 PolarHBondContact O-N 3.2Å; D126-S130 PolarHBondContact O-OG 3.09Å; S127-S130 WeakPolarHBondContact CA-OG 3Å; S127-S130 PolarHBondContact O-OG 3.22Å; S130-E133 WeakPolarHBondContact O-CB 3.44Å; S130-E133 PolarHBondContact O-N 3.3Å; S130-Q134 WeakPolarHBondContact O-CG 3.28Å; S130-Q134 PolarHBondContact O-N 3.44Å
131H85.9Confident79.1Confident87 Ų8759.7 Ų59.740%0.40337%0.369SS..Hα-helixtrans-65.2-44.6172-174.959.7000112S127 L128 L129 E133 Q134 L135S127-H131 WeakPolarHBondContact O-CB 3.25Å; S127-H131 PolarHBondContact O-N 3.28Å; L128-H131 WeakPolarHBondContact O-CB 3.44Å; L128-H131 PolarHBondContact O-N 3.46Å; L129-H131 VanDerWaalsContact C-N 3.3Å; L129-H131 PolarHBondContact O-N 3Å; H131-E133 VanDerWaalsContact C-N 3.32Å; H131-E133 PolarHBondContact O-N 2.85Å; H131-Q134 WeakPolarHBondContact O-CB 3.43Å; H131-Q134 PolarHBondContact O-N 3.01Å; H131-L135 WeakPolarHBondContact O-CG 3.46Å; H131-L135 PolarHBondContact O-N 3.43Å
132V88.4Confident81.7Confident2 Ų259 Ų591%0.01235%0.345CS..Hα-helixtrans-61.1-41.7174.1167.80000111.2V18 L128 L129 Q134 L135 L136 M205 I209 L210V18-V132 HydrophobicContact CG1-CG1 4.18Å; L128-V132 PolarHBondContact O-N 3.3Å; L129-V132 PolarHBondContact O-N 3.32Å; V132-Q134 VanDerWaalsContact C-N 3.29Å; V132-Q134 PolarHBondContact O-N 2.8Å; V132-L135 WeakPolarHBondContact O-CA 3.48Å; V132-L135 WeakPolarHBondContact O-CB 3.41Å; V132-L135 PolarHBondContact O-N 3.41Å; V132-L136 HydrophobicContact CG1-CD1 3.82Å; V132-L136 HydrophobicContact CG1-CG 4.06Å; V132-L136 VanDerWaalsContact O-CG 3.29Å; V132-L136 WeakPolarHBondContact O-CG 3.25Å; V132-L136 PolarHBondContact O-N 3.35Å; V132-M205 HydrophobicContact CG1-CE 4.26Å; V132-I209 HydrophobicContact CG2-CD1 3.88Å; V132-I209 HydrophobicContact CG2-CG1 4.01Å; V132-L210 HydrophobicContact CG1-CD2 4.44Å
133E89.9Confident84.4Confident78 Ų7856 Ų5636%0.36431%0.313SS..Hα-helixtrans-55.6-44174.6-162.1-163.2149.600112.1Y48 L129 S130 H131 L135 L136 R137Y48-E133 WeakPolarHBondContact CA-OE1 3.46Å; Y48-E133 HydrophobicContact CD1-CG 3.36Å; Y48-E133 HydrophobicContact CE1-CG 3.94Å; Y48-E133 HydrophobicContact CG-CG 4.42Å; L129-E133 WeakPolarHBondContact O-CB 3.49Å; L129-E133 PolarHBondContact O-N 2.93Å; S130-E133 WeakPolarHBondContact O-CB 3.44Å; S130-E133 PolarHBondContact O-N 3.3Å; H131-E133 VanDerWaalsContact C-N 3.32Å; H131-E133 PolarHBondContact O-N 2.85Å; E133-L135 VanDerWaalsContact C-N 3.34Å; E133-L135 PolarHBondContact O-N 2.82Å; E133-L136 PolarHBondContact O-N 2.96Å; E133-R137 PolarHBondContact O-N 3.01Å
134Q90.8Very high86.8Confident110 Ų11053.5 Ų53.551%0.51430%0.296SS..Hα-helixtrans-64.8-36.6175.2-69.9171.3-21.200112.5S130 H131 V132 R137S130-Q134 WeakPolarHBondContact O-CG 3.28Å; S130-Q134 PolarHBondContact O-N 3.44Å; H131-Q134 WeakPolarHBondContact O-CB 3.43Å; H131-Q134 PolarHBondContact O-N 3.01Å; V132-Q134 VanDerWaalsContact C-N 3.29Å; V132-Q134 PolarHBondContact O-N 2.8Å; Q134-R137 WeakPolarHBondContact O-CB 3.43Å
135L94.1Very high88.6Confident40 Ų4053.3 Ų53.321%0.20929%0.291CS..Hα-helixtrans-68.9-43.6175.6-66.4175000111.2H131 V132 E133 R137 A138 F139 M205H131-L135 WeakPolarHBondContact O-CG 3.46Å; H131-L135 PolarHBondContact O-N 3.43Å; V132-L135 WeakPolarHBondContact O-CA 3.48Å; V132-L135 WeakPolarHBondContact O-CB 3.41Å; V132-L135 PolarHBondContact O-N 3.41Å; E133-L135 VanDerWaalsContact C-N 3.34Å; E133-L135 PolarHBondContact O-N 2.82Å; L135-R137 VanDerWaalsContact C-N 3.31Å; L135-R137 PolarHBondContact O-N 3.47Å; L135-A138 WeakPolarHBondContact O-CB 3.3Å; L135-A138 PolarHBondContact O-N 3.03Å; L135-A138 VanDerWaalsContact O-N 3.08Å; L135-F139 WeakPolarHBondContact O-CD2 3.44Å; L135-M205 HydrophobicContact CB-CB 4.24Å; L135-M205 HydrophobicContact CB-CE 3.65Å; L135-M205 HydrophobicContact CB-SD 3.86Å; L135-M205 HydrophobicContact CD1-CB 4.39Å; L135-M205 HydrophobicContact CD1-CE 3.7Å; L135-M205 HydrophobicContact CG-CE 4.34Å
136L96.2Very high90.2Very high0 Ų050.2 Ų50.20%027%0.269CS..Hα-helixtrans-62.4-36.5177-67.7175000112.1V18 F22 Y48 V132 E133 A138 F139 I140 M205 M212V18-L136 HydrophobicContact CG1-CD1 3.65Å; F22-L136 HydrophobicContact CB-CD1 4.13Å; F22-L136 HydrophobicContact CB-CD2 4.4Å; F22-L136 HydrophobicContact CD1-CD2 4.05Å; F22-L136 HydrophobicContact CD2-CB 3.9Å; F22-L136 HydrophobicContact CD2-CD1 4.37Å; F22-L136 HydrophobicContact CD2-CD2 3.79Å; F22-L136 HydrophobicContact CD2-CG 4.22Å; F22-L136 HydrophobicContact CE1-CD2 4.31Å; F22-L136 HydrophobicContact CE2-CB 4.21Å; F22-L136 HydrophobicContact CE2-CD2 4.04Å; F22-L136 HydrophobicContact CG-CD1 4.32Å; F22-L136 HydrophobicContact CG-CD2 3.78Å; F22-L136 HydrophobicContact CG-CG 4.45Å; F22-L136 HydrophobicContact CZ-CD2 4.3Å; Y48-L136 HydrophobicContact CE1-CD1 4.45Å; V132-L136 HydrophobicContact CG1-CD1 3.82Å; V132-L136 HydrophobicContact CG1-CG 4.06Å; V132-L136 VanDerWaalsContact O-CG 3.29Å; V132-L136 WeakPolarHBondContact O-CG 3.25Å; V132-L136 PolarHBondContact O-N 3.35Å; E133-L136 PolarHBondContact O-N 2.96Å; L136-A138 PolarHBondContact O-N 3.42Å; L136-A138 VanDerWaalsContact O-N 3.16Å; L136-F139 WeakPolarHBondContact O-CB 3.29Å; L136-F139 PolarHBondContact O-N 2.98Å; L136-I140 PolarHBondContact O-N 2.82Å; L136-M205 HydrophobicContact CD2-SD 3.92Å; L136-M212 HydrophobicContact CD2-CE 3.52Å
137R96.5Very high91.5Very high64 Ų6449.1 Ų49.124%0.24226%0.263CS..Hα-helixtrans-51.3-38.9171.7-176.8-173.7-61.4162.65.4112.5Y48 V50 E133 Q134 L135 F139 I140 L141Y48-R137 WeakPolarHBondContact O-CD 3.31Å; Y48-R137 WeakPolarHBondContact O-CG 3.36Å; Y48-R137 PolarHBondContact O-NE 2.71Å; Y48-R137 PolarHBondContact O-NH2 3.42Å; V50-R137 HydrophobicContact CB-CG 4.39Å; V50-R137 HydrophobicContact CG1-CG 3.43Å; V50-R137 VanDerWaalsContact CG1-CG 3.43Å; V50-R137 HydrophobicContact CG2-CG 4.05Å; E133-R137 PolarHBondContact O-N 3.01Å; Q134-R137 WeakPolarHBondContact O-CB 3.43Å; L135-R137 VanDerWaalsContact C-N 3.31Å; L135-R137 PolarHBondContact O-N 3.47Å; R137-F139 VanDerWaalsContact C-N 3.27Å; R137-F139 PolarHBondContact O-N 3.23Å; R137-I140 PolarHBondContact O-N 3.02Å; R137-L141 HydrophobicContact CG-CD1 4.26Å; R137-L141 WeakPolarHBondContact O-CG 3.31Å; R137-L141 PolarHBondContact O-N 3.48Å
138A96.6Very high92.4Very high27 Ų2749.5 Ų49.522%0.22327%0.271CS..Hα-helixtrans-66.1-30.1-179.700000112.6L135 L136 K142 K203L135-A138 WeakPolarHBondContact O-CB 3.3Å; L135-A138 PolarHBondContact O-N 3.03Å; L135-A138 VanDerWaalsContact O-N 3.08Å; L136-A138 PolarHBondContact O-N 3.42Å; L136-A138 VanDerWaalsContact O-N 3.16Å; A138-K142 WeakPolarHBondContact O-CB 3.35Å; A138-K142 VanDerWaalsContact O-CG 3.26Å; A138-K142 WeakPolarHBondContact O-CG 3.4Å; A138-K142 PolarHBondContact O-N 2.86Å; A138-K142 VanDerWaalsContact O-N 3.11Å; A138-K203 HydrophobicContact CB-CD 4.16Å; A138-K203 HydrophobicContact CB-CG 4.36Å
139F98.1Very high93.3Very high0 Ų051.2 Ų51.20%028%0.283CS..Hα-helixtrans-68.4-47.3173.7-70.3-103.2000110.8F22 L135 L136 R137 L141 K142 I143 K203 M205 M212 L214F22-F139 HydrophobicContact CE2-CB 3.75Å; F22-F139 HydrophobicContact CE2-CG 4.4Å; F22-F139 HydrophobicContact CZ-CB 3.56Å; F22-F139 HydrophobicContact CZ-CD1 4.28Å; F22-F139 AromaticContact CZ-CG 3.94Å; F22-F139 HydrophobicContact CZ-CG 3.94Å; L135-F139 WeakPolarHBondContact O-CD2 3.44Å; L136-F139 WeakPolarHBondContact O-CB 3.29Å; L136-F139 PolarHBondContact O-N 2.98Å; R137-F139 VanDerWaalsContact C-N 3.27Å; R137-F139 PolarHBondContact O-N 3.23Å; F139-L141 VanDerWaalsContact C-N 3.3Å; F139-L141 PolarHBondContact O-N 3.13Å; F139-K142 PolarHBondContact O-N 2.87Å; F139-I143 WeakPolarHBondContact O-CG1 3.32Å; F139-I143 PolarHBondContact O-N 3.12Å; F139-K203 HydrophobicContact CD1-CB 3.79Å; F139-K203 HydrophobicContact CD1-CG 4.13Å; F139-K203 HydrophobicContact CD2-CB 4.4Å; F139-K203 HydrophobicContact CD2-CG 3.84Å; F139-K203 HydrophobicContact CE1-CB 3.77Å; F139-K203 HydrophobicContact CE1-CG 4.01Å; F139-K203 WeakPolarHBondContact CE1-O 3.2Å; F139-K203 HydrophobicContact CE2-CB 4.37Å; F139-K203 HydrophobicContact CE2-CG 3.69Å; F139-K203 HydrophobicContact CG-CB 4.1Å; F139-K203 HydrophobicContact CG-CG 4.04Å; F139-K203 HydrophobicContact CZ-CB 4.06Å; F139-K203 HydrophobicContact CZ-CG 3.78Å; F139-M205 HydrophobicContact CD2-SD 4.31Å; F139-M205 HydrophobicContact CE2-CB 3.78Å; F139-M205 HydrophobicContact CE2-CG 3.55Å; F139-M205 HydrophobicContact CE2-SD 3.47Å; F139-M205 WeakPolarHBondContact CE2-SD 3.31Å; F139-M205 HydrophobicContact CZ-CB 4.06Å; F139-M205 HydrophobicContact CZ-CG 3.66Å; F139-M205 HydrophobicContact CZ-SD 4.06Å; F139-M212 HydrophobicContact CD1-CE 3.88Å; F139-M212 HydrophobicContact CD2-CE 4.03Å; F139-M212 HydrophobicContact CE1-CE 3.69Å; F139-M212 HydrophobicContact CE1-CG 4.37Å; F139-M212 HydrophobicContact CE2-CE 3.86Å; F139-M212 HydrophobicContact CG-CE 4.06Å; F139-M212 HydrophobicContact CZ-CB 4.39Å; F139-M212 HydrophobicContact CZ-CE 3.7Å; F139-M212 HydrophobicContact CZ-CG 4.46Å; F139-L214 HydrophobicContact CD1-CB 3.5Å; F139-L214 VanDerWaalsContact CD1-CB 3.5Å; F139-L214 HydrophobicContact CD1-CD2 3.93Å; F139-L214 HydrophobicContact CD1-CG 4.38Å; F139-L214 HydrophobicContact CE1-CB 3.56Å
140I98.1Very high94.1Very high0 Ų049 Ų490%027%0.272CS..Hα-helixtrans-57.8-43.9178.1-60.8-52.6000111.5F22 V25 A26 L29 Y48 V50 V52 L136 R137 K142 I143 S144F22-I140 HydrophobicContact CD2-CD1 4.15Å; F22-I140 HydrophobicContact CE2-CD1 3.71Å; F22-I140 HydrophobicContact CE2-CG1 4.12Å; V25-I140 HydrophobicContact CG1-CD1 3.91Å; A26-I140 HydrophobicContact CB-CD1 4.34Å; L29-I140 HydrophobicContact CD2-CG2 3.77Å; L29-I140 WeakPolarHBondContact CD2-O 3.36Å; Y48-I140 HydrophobicContact CD2-CG1 3.94Å; Y48-I140 HydrophobicContact CE2-CG1 4.44Å; V50-I140 HydrophobicContact CG2-CB 4.14Å; V50-I140 HydrophobicContact CG2-CG2 3.64Å; V52-I140 HydrophobicContact CG1-CG2 3.52Å; L136-I140 PolarHBondContact O-N 2.82Å; R137-I140 PolarHBondContact O-N 3.02Å; I140-K142 VanDerWaalsContact C-N 3.33Å; I140-K142 PolarHBondContact O-N 2.77Å; I140-I143 PolarHBondContact O-N 2.74Å; I140-S144 WeakPolarHBondContact O-CB 3.45Å; I140-S144 PolarHBondContact O-N 2.85Å; I140-S144 PolarHBondContact O-OG 3Å
141L97.5Very high94.5Very high85 Ų8550.3 Ų50.345%0.44528%0.275SS..Hα-helixtrans-63.6-37.9175.6-70173.9000112.4V50 R137 F139 S144 V145V50-L141 HydrophobicContact CB-CD2 4.24Å; V50-L141 HydrophobicContact CG1-CD1 4.32Å; V50-L141 HydrophobicContact CG1-CD2 3.84Å; V50-L141 HydrophobicContact CG1-CG 4.1Å; R137-L141 HydrophobicContact CG-CD1 4.26Å; R137-L141 WeakPolarHBondContact O-CG 3.31Å; R137-L141 PolarHBondContact O-N 3.48Å; F139-L141 VanDerWaalsContact C-N 3.3Å; F139-L141 PolarHBondContact O-N 3.13Å; L141-S144 PolarHBondContact O-N 3.13Å; L141-V145 WeakPolarHBondContact O-CG2 3.36Å
142K97.8Very high94.9Very high100 Ų10053.7 Ų53.744%0.43529%0.29SS..Hα-helixtrans-70.7-37.1177.4-76-71.2-175-177.90112.9A138 F139 I140 S144 V145 C146 L202 K203A138-K142 WeakPolarHBondContact O-CB 3.35Å; A138-K142 VanDerWaalsContact O-CG 3.26Å; A138-K142 WeakPolarHBondContact O-CG 3.4Å; A138-K142 PolarHBondContact O-N 2.86Å; A138-K142 VanDerWaalsContact O-N 3.11Å; F139-K142 PolarHBondContact O-N 2.87Å; I140-K142 VanDerWaalsContact C-N 3.33Å; I140-K142 PolarHBondContact O-N 2.77Å; K142-S144 VanDerWaalsContact C-N 3.32Å; K142-V145 PolarHBondContact O-N 2.85Å; K142-C146 PolarHBondContact O-N 3.21Å; K142-L202 HydrophobicContact CB-CB 4.35Å; K142-L202 WeakPolarHBondContact CD-O 3.34Å; K142-L202 WeakPolarHBondContact CG-O 3.13Å; K142-K203 HydrophobicContact CG-CB 4.27Å
143I97.9Very high95.2Very high0 Ų055 Ų550%030%0.297CS..Hα-helixtrans-65.3-39.1172.8-63.8166.3000110.1A26 L29 I30 V33 F139 I140 V145 C146 L214A26-I143 HydrophobicContact CB-CD1 3.91Å; L29-I143 HydrophobicContact CB-CG2 4.21Å; L29-I143 HydrophobicContact CD2-CB 3.87Å; L29-I143 HydrophobicContact CD2-CG2 3.74Å; L29-I143 HydrophobicContact CG-CB 4.41Å; L29-I143 HydrophobicContact CG-CG2 3.71Å; I30-I143 HydrophobicContact CG1-CD1 4.42Å; I30-I143 HydrophobicContact CG1-CG2 3.79Å; V33-I143 HydrophobicContact CG2-CG2 4.16Å; F139-I143 WeakPolarHBondContact O-CG1 3.32Å; F139-I143 PolarHBondContact O-N 3.12Å; I140-I143 PolarHBondContact O-N 2.74Å; I143-V145 PolarHBondContact O-N 3.06Å; I143-C146 PolarHBondContact O-N 3.02Å; I143-C146 PolarHBondContact O-SG 3.34Å; I143-L214 HydrophobicContact CD1-CD2 3.82Å; I143-L214 HydrophobicContact CG1-CD2 3.66Å
144S96.8Very high95.4Very high43 Ų4352.2 Ų52.230%0.30129%0.286SS..THydrogen-bonded Turntrans-62.7-16.5-179.1-61.60000114.5I140 L141 K142I140-S144 WeakPolarHBondContact O-CB 3.45Å; I140-S144 PolarHBondContact O-N 2.85Å; I140-S144 PolarHBondContact O-OG 3Å; L141-S144 PolarHBondContact O-N 3.13Å; K142-S144 VanDerWaalsContact C-N 3.32Å
145V95.6Very high95.5Very high83 Ų8352 Ų5250%0.50329%0.294SS..THydrogen-bonded Turntrans-126.715.1-178.2-56.30000112.1L141 K142 I143 D147 A148L141-V145 WeakPolarHBondContact O-CG2 3.36Å; K142-V145 PolarHBondContact O-N 2.85Å; I143-V145 PolarHBondContact O-N 3.06Å; V145-D147 VanDerWaalsContact C-N 3.26Å; V145-D147 VanDerWaalsContact C-OD1 3.25Å; V145-D147 WeakPolarHBondContact CA-OD1 3.37Å; V145-D147 PolarHBondContact O-N 3.44Å; V145-A148 PolarHBondContact O-N 2.94Å
146C95.1Very high95.5Very high1 Ų152.9 Ų52.91%0.00731%0.313CS..G310 helixtrans-74.6-19.6-178.570.40000112.6K142 I143 A148 V149 L150 L202K142-C146 PolarHBondContact O-N 3.21Å; I143-C146 PolarHBondContact O-N 3.02Å; I143-C146 PolarHBondContact O-SG 3.34Å; C146-A148 PolarHBondContact O-N 3.25Å; C146-V149 HydrophobicContact CB-CG2 4.47Å; C146-V149 WeakPolarHBondContact O-CG2 3.32Å; C146-V149 PolarHBondContact O-N 3.43Å; C146-L150 HydrophobicContact CB-CD1 4.03Å; C146-L150 WeakPolarHBondContact O-CB 3.36Å; C146-L150 VanDerWaalsContact O-CG 3.26Å; C146-L150 WeakPolarHBondContact O-CG 3.37Å; C146-L150 PolarHBondContact O-N 3.39Å; C146-L202 HydrophobicContact CB-CD1 4.11Å; C146-L202 HydrophobicContact CB-CD2 4.03Å
147D93.3Very high95.6Very high87 Ų8753.6 Ų53.647%0.46532%0.317SS..G310 helixtrans-55.9-32.3172.266-33.3000113V145 V149V145-D147 VanDerWaalsContact C-N 3.26Å; V145-D147 VanDerWaalsContact C-OD1 3.25Å; V145-D147 WeakPolarHBondContact CA-OD1 3.37Å; V145-D147 PolarHBondContact O-N 3.44Å; D147-V149 VanDerWaalsContact C-N 3.26Å; D147-V149 PolarHBondContact O-N 2.58Å
148A93Very high95.6Very high87 Ų8753.4 Ų53.472%0.71932%0.323SS*.G310 helixtrans-72.6-15.2177.500000114.3V145 C146V145-A148 PolarHBondContact O-N 2.94Å; C146-A148 PolarHBondContact O-N 3.25Å
149V94.3Very high95.7Very high75 Ų7553 Ų5346%0.45532%0.317SS..THydrogen-bonded Turntrans-116.4-12.7-178.8-59.30000113.6C146 D147 R198 I200 L202C146-V149 HydrophobicContact CB-CG2 4.47Å; C146-V149 WeakPolarHBondContact O-CG2 3.32Å; C146-V149 PolarHBondContact O-N 3.43Å; D147-V149 VanDerWaalsContact C-N 3.26Å; D147-V149 PolarHBondContact O-N 2.58Å; V149-R198 PolarHBondContact O-NH2 2.85Å; V149-I200 HydrophobicContact CG2-CG2 4.17Å; V149-L202 HydrophobicContact CG2-CD2 4.29Å
150L94.8Very high95.7Very high8 Ų854.8 Ų54.84%0.04233%0.327CS..SBendtrans-103.6142178.7-62.1175.1000110.2F98 C146 I200 V216 E218F98-L150 HydrophobicContact CE1-CD1 4.24Å; F98-L150 HydrophobicContact CZ-CD1 3.7Å; C146-L150 HydrophobicContact CB-CD1 4.03Å; C146-L150 WeakPolarHBondContact O-CB 3.36Å; C146-L150 VanDerWaalsContact O-CG 3.26Å; C146-L150 WeakPolarHBondContact O-CG 3.37Å; C146-L150 PolarHBondContact O-N 3.39Å; L150-I200 HydrophobicContact CD2-CD1 3.47Å; L150-I200 VanDerWaalsContact CD2-CD1 3.47Å; L150-V216 HydrophobicContact CD1-CG1 4.38Å; L150-V216 HydrophobicContact CD1-CG2 4.31Å; L150-V216 HydrophobicContact CD2-CB 3.97Å; L150-V216 HydrophobicContact CD2-CG1 3.75Å; L150-V216 HydrophobicContact CD2-CG2 4.27Å; L150-E218 WeakPolarHBondContact CA-OE1 3.39Å
151D94.4Very high95.7Very high80 Ų8055.4 Ų55.443%0.42833%0.331SS..PPolyproline II helixtrans-69.3152.9174.2-65.6-30.6000110.4R34 N153 E218 K222R34-D151 PolarHBondContact NH2-O 2.83Å; D151-N153 PolarHBondContact O-N 3.23Å; D151-E218 PolarHBondContact N-OE1 3.04Å; D151-K222 HydrophobicContact CB-CD 4.37Å; D151-K222 PolarHBondContact O-NZ 2.96Å
152H93.6Very high95.6Very high157 Ų15752.2 Ų52.273%0.72731%0.314SS*.PPolyproline II helixtrans-60.4138.9177.8-68.9-66.8000112K222H152-K222 WeakPolarHBondContact O-CD 3.49Å
153N94.9Very high95.5Very high30 Ų3048.8 Ų48.816%0.1630%0.302CS..PPolyproline II helixtrans-78.1151175-72.7-20.9000110.8R34 E96 D151 K222R34-N153 PolarHBondContact NH2-OD1 2.88Å; E96-N153 WeakPolarHBondContact CG-OD1 3.08Å; E96-N153 PolarHBondContact OE1-OD1 2.96Å; E96-N153 PolarHBondContact OE2-ND2 2.91Å; E96-N153 PolarHBondContact OE2-OD1 3.11Å; D151-N153 PolarHBondContact O-N 3.23Å; N153-K222 PolarHBondContact OD1-NZ 3.01Å
154P94.1Very high95.3Very high20 Ų2052.2 Ų52.213%0.1332%0.318CS..PPolyproline II helixtrans-58.2153.7169.5-21.733.4000111.7V95 C157 K222V95-P154 HydrophobicContact CG1-CG 4.4Å; P154-C157 PolarHBondContact O-SG 3.31Å; P154-K222 HydrophobicContact CG-CB 4.42Å; P154-K222 WeakPolarHBondContact CG-O 3.43Å
155P93.3Very high95.1Very high106 Ų10651.6 Ų51.669%0.68831%0.312SS*.THydrogen-bonded Turntrans-67.5150.9174.229.6-35000111.2
156G94Very high94.6Very high58 Ų5852.2 Ų52.260%0.59831%0.306SS*.THydrogen-bonded Turntrans76.925.417700000114
157C97Very high94Very high14 Ų1456.6 Ų56.610%0.09533%0.326CS..  trans-65.3149.5173.2-80.90000112.5I87 L88 P154I87-C157 HydrophobicContact CG2-CB 3.73Å; L88-C157 CarbonylContact O-C 3.53Å; L88-C157 WeakPolarHBondContact O-CA 3.29Å; L88-C157 WeakPolarHBondContact O-CB 3.47Å; L88-C157 PolarHBondContact O-SG 3.03Å; L88-C157 VanDerWaalsContact O-SG 3.34Å; P154-C157 PolarHBondContact O-SG 3.31Å
158T97.6Very high93.1Very high60 Ų6055.5 Ų55.537%0.36833%0.329SS..EExtended strand (participates in β ladder)trans-123.1-180170.560.30000109.4I87 L88I87-T158 WeakPolarHBondContact CA-O 3.5Å; L88-T158 PolarHBondContact N-O 3.32Å; L88-T158 PolarHBondContact O-N 2.81Å
159F98.4Very high91.8Very high19 Ų1953.3 Ų53.38%0.08331%0.311CS..EExtended strand (participates in β ladder)trans-138.2157.3175.785.4-73.7000112.6V27 L31 V36 Y37 L60 Y63 I64 V85 V86 V161V27-F159 HydrophobicContact CG1-CE2 4.28Å; L31-F159 HydrophobicContact CD1-CD1 4.32Å; L31-F159 HydrophobicContact CD1-CE1 3.9Å; L31-F159 HydrophobicContact CD1-CE2 4.37Å; L31-F159 HydrophobicContact CD1-CZ 3.92Å; L31-F159 HydrophobicContact CD2-CB 3.96Å; L31-F159 HydrophobicContact CD2-CD1 3.54Å; L31-F159 HydrophobicContact CD2-CD2 4.03Å; L31-F159 HydrophobicContact CD2-CE1 4Å; L31-F159 HydrophobicContact CD2-CE2 4.42Å; L31-F159 HydrophobicContact CD2-CG 3.56Å; L31-F159 HydrophobicContact CD2-CZ 4.41Å; V36-F159 HydrophobicContact CG1-CB 4.43Å; V36-F159 HydrophobicContact CG1-CD1 4.39Å; Y37-F159 AromaticContact CE2-CD1 3.84Å; Y37-F159 HydrophobicContact CE2-CD1 3.84Å; Y37-F159 AromaticContact CE2-CE1 3.68Å; Y37-F159 HydrophobicContact CE2-CE1 3.68Å; Y37-F159 WeakPolarHBondContact OH-CE1 3.32Å; L60-F159 HydrophobicContact CD1-CE1 3.75Å; L60-F159 HydrophobicContact CD1-CZ 3.95Å; Y63-F159 HydrophobicContact CD1-CE2 4.37Å; Y63-F159 AromaticContact CD1-CZ 3.76Å; Y63-F159 HydrophobicContact CD1-CZ 3.76Å; Y63-F159 HydrophobicContact CE1-CE1 4.44Å; Y63-F159 AromaticContact CE1-CE2 3.86Å; Y63-F159 HydrophobicContact CE1-CE2 3.86Å; Y63-F159 AromaticContact CE1-CZ 3.62Å; Y63-F159 HydrophobicContact CE1-CZ 3.62Å; I64-F159 HydrophobicContact CG1-CZ 4.2Å; V85-F159 HydrophobicContact CG1-CD2 4.13Å; V86-F159 CarbonylContact O-C 3.54Å; V86-F159 WeakPolarHBondContact O-CA 3.38Å; V86-F159 WeakPolarHBondContact O-CB 3.47Å; F159-V161 HydrophobicContact CD2-CG2 4.44Å; F159-V161 HydrophobicContact CE2-CG2 4.21Å
160T97.5Very high90.4Very high37 Ų3754.3 Ų54.323%0.22732%0.318CS..EExtended strand (participates in β ladder)trans-140.7165.5168-171.50000109.8V86 L88V86-T160 HydrophobicContact CB-CG2 3.87Å; V86-T160 HydrophobicContact CG1-CG2 4.44Å; V86-T160 HydrophobicContact CG2-CG2 4.46Å; V86-T160 PolarHBondContact N-O 2.89Å; V86-T160 PolarHBondContact O-N 2.93Å; L88-T160 HydrophobicContact CD1-CG2 4.06Å
161V97.8Very high89Confident14 Ų1462.1 Ų62.19%0.08535%0.346CS..EExtended strand (participates in β ladder)trans-117.2125.6178179.80000110T67 V83 V84 F159T67-V161 HydrophobicContact CG2-CB 3.89Å; T67-V161 HydrophobicContact CG2-CG1 3.98Å; T67-V161 HydrophobicContact CG2-CG2 4.12Å; V83-V161 HydrophobicContact CG1-CG1 4.02Å; V84-V161 CarbonylContact O-C 3.6Å; V84-V161 VanDerWaalsContact O-CA 3.31Å; V84-V161 WeakPolarHBondContact O-CA 3.43Å; F159-V161 HydrophobicContact CD2-CG2 4.44Å; F159-V161 HydrophobicContact CE2-CG2 4.21Å
162L96.4Very high87.8Confident17 Ų1758.5 Ų58.59%0.08933%0.327CS..EExtended strand (participates in β ladder)trans-106144.1172.8-53.3177.8000110.3V84 V86 A187 V192V84-L162 HydrophobicContact CB-CB 4.19Å; V84-L162 PolarHBondContact N-O 2.87Å; V84-L162 PolarHBondContact O-N 3.47Å; V86-L162 HydrophobicContact CG2-CD1 3.6Å; V86-L162 HydrophobicContact CG2-CG 3.77Å; L162-A187 HydrophobicContact CD2-CB 4.04Å; L162-V192 HydrophobicContact CD1-CG2 4.16Å
163V95.6Very high86.8Confident29 Ų2953.7 Ų53.718%0.17631%0.305CS..EExtended strand (participates in β ladder)trans-125113.6177.3-177.30000108.1V71 L74 V80 K82 T165 W184V71-V163 HydrophobicContact CG2-CG2 3.66Å; L74-V163 HydrophobicContact CD1-CG1 4.42Å; V80-V163 HydrophobicContact CG1-CG1 4.06Å; V80-V163 HydrophobicContact CG2-CG1 4.16Å; K82-V163 WeakPolarHBondContact O-CA 3.33Å; V163-T165 HydrophobicContact CG1-CG2 4.33Å; V163-W184 HydrophobicContact CB-CZ3 4.29Å; V163-W184 HydrophobicContact CG2-CH2 3.58Å; V163-W184 HydrophobicContact CG2-CZ3 3.62Å
164H93.8Very high85.4Confident72 Ų7260.6 Ų60.633%0.33334%0.337SS..EExtended strand (participates in β ladder)trans-88.3118.1172.6-68.4-119.8000108E81 K82E81-H164 PolarHBondContact N-O 2.82Å; K82-H164 HydrophobicContact CB-CB 3.91Å; K82-H164 HydrophobicContact CG-CB 4.22Å; K82-H164 PolarHBondContact N-O 3.06Å; K82-H164 PolarHBondContact O-N 2.99Å
165T91.9Very high84.1Confident29 Ų2962.6 Ų62.618%0.17834%0.343CS..EExtended strand (participates in β ladder)trans-95147.6177.358.70000111.8L74 D79 V163 E167 N172L74-T165 HydrophobicContact CD1-CG2 4.46Å; D79-T165 CarbonylContact O-C 3.53Å; D79-T165 WeakPolarHBondContact O-CA 3.47Å; D79-T165 WeakPolarHBondContact O-CB 3.38Å; V163-T165 HydrophobicContact CG1-CG2 4.33Å; T165-E167 VanDerWaalsContact C-N 3.34Å; T165-E167 PolarHBondContact O-N 3.29Å; T165-E167 PolarHBondContact OG1-O 2.8Å; T165-N172 WeakPolarHBondContact CB-ND2 3.29Å; T165-N172 HydrophobicContact CG2-CB 4.13Å; T165-N172 PolarHBondContact OG1-ND2 3.29Å
166R86.8Confident83.2Confident97 Ų9758.2 Ų58.237%0.36631%0.314SS..SBendtrans-67.4-33.7179.1-61.8-171.7-169.4-72.1-10.2113.1N78 D79 V80 E81 I102N78-R166 WeakPolarHBondContact O-CD 3.47Å; N78-R166 PolarHBondContact O-NE 3.3Å; N78-R166 PolarHBondContact OD1-NE 3.45Å; N78-R166 PolarHBondContact OD1-NH2 3.49Å; D79-R166 PolarHBondContact O-N 2.92Å; V80-R166 PolarHBondContact O-NE 3.4Å; V80-R166 PolarHBondContact O-NH2 3.05Å; E81-R166 HydrophobicContact CB-CG 4.1Å; I102-R166 PolarHBondContact O-NH2 3.06Å
167E82.1Confident82.3Confident92 Ų9260.1 Ų60.143%0.4331%0.307SS..SBendtrans-100.5164.6173.1-65.7-165.917700110.9T165 A169T165-E167 VanDerWaalsContact C-N 3.34Å; T165-E167 PolarHBondContact O-N 3.29Å; T165-E167 PolarHBondContact OG1-O 2.8Å; E167-A169 PolarHBondContact O-N 3.38Å
168A74.4Confident81.2Confident64 Ų6463 Ų6353%0.52932%0.324SS..  trans-51.2128.8176.300000111.7T170 R171A168-T170 PolarHBondContact O-N 3.24Å; A168-R171 PolarHBondContact O-N 3.1Å
169A65.9Low80.2Confident42 Ų4261.9 Ų61.935%0.34732%0.316SS..Hα-helixtrans-56.4-27.8-172.700000113.7E167 R171 N172 M173 L186E167-A169 PolarHBondContact O-N 3.38Å; A169-R171 VanDerWaalsContact C-N 3.27Å; A169-R171 PolarHBondContact O-N 2.69Å; A169-N172 CarbonylContact O-C 3.54Å; A169-N172 PolarHBondContact O-N 3.11Å; A169-M173 PolarHBondContact O-N 3.36Å; A169-L186 HydrophobicContact CB-CD2 3.32Å
170T64.3Low78.8Confident96 Ų9670.3 Ų70.359%0.58935%0.352SS*.Hα-helixtrans-58-34.5176.650.60000113.6A168 N172A168-T170 PolarHBondContact O-N 3.24Å; T170-N172 VanDerWaalsContact C-N 3.33Å
171R64.6Low78.1Confident171 Ų17175.5 Ų75.565%0.64538%0.379SS*.Hα-helixtrans-77.3-22.7176.7-67-175.3175.2-149.2-3.5113.3A168 A169A168-R171 PolarHBondContact O-N 3.1Å; A169-R171 VanDerWaalsContact C-N 3.27Å; A169-R171 PolarHBondContact O-N 2.69Å
172N70.9Confident77.6Confident4 Ų476.7 Ų76.72%0.02138%0.383CS..Hα-helixtrans-98.6-13.2-176.8-67.9-34.2000112.2L74 D79 T165 A169 T170 E174 K175 I176L74-N172 HydrophobicContact CD2-CB 3.82Å; D79-N172 PolarHBondContact OD2-OD1 2.93Å; T165-N172 WeakPolarHBondContact CB-ND2 3.29Å; T165-N172 HydrophobicContact CG2-CB 4.13Å; T165-N172 PolarHBondContact OG1-ND2 3.29Å; A169-N172 CarbonylContact O-C 3.54Å; A169-N172 PolarHBondContact O-N 3.11Å; T170-N172 VanDerWaalsContact C-N 3.33Å; N172-E174 PolarHBondContact O-N 2.78Å; N172-K175 WeakPolarHBondContact O-CA 3.5Å; N172-K175 WeakPolarHBondContact O-CB 3.34Å; N172-K175 PolarHBondContact O-N 3.5Å; N172-K175 WeakPolarHBondContact OD1-CD 3.35Å; N172-K175 WeakPolarHBondContact OD1-CE 3.13Å; N172-K175 PolarHBondContact OD1-NZ 3.49Å; N172-I176 PolarHBondContact O-N 3.07Å
173M71.1Confident77.3Confident56 Ų5680.5 Ų80.528%0.27641%0.409SS..Hα-helixtrans-62.1-42179.4-152.3169.7-163.100112.1A169 K175 I176 Q177 W184 L186A169-M173 PolarHBondContact O-N 3.36Å; M173-K175 VanDerWaalsContact C-N 3.27Å; M173-K175 PolarHBondContact O-N 2.79Å; M173-I176 WeakPolarHBondContact O-CG2 3.28Å; M173-Q177 WeakPolarHBondContact O-CB 3.46Å; M173-Q177 VanDerWaalsContact O-CG 3.26Å; M173-Q177 WeakPolarHBondContact O-CG 3.11Å; M173-Q177 PolarHBondContact O-N 3.41Å; M173-W184 VanDerWaalsContact CE-O 3.28Å; M173-W184 WeakPolarHBondContact CE-O 3.43Å; M173-L186 HydrophobicContact CE-CG 4.23Å
174E66.7Low77.1Confident176 Ų17680.8 Ų80.882%0.82241%0.406SS*.Hα-helixtrans-66.7-30.4173.3-65.9178.7178.300112.3N172N172-E174 PolarHBondContact O-N 2.78Å
175K66.6Low76.9Confident61 Ų6183.4 Ų83.427%0.26542%0.422SS..Hα-helixtrans-79.2-33.4-178.2-57.8177.4-169.9162.90112.6L74 K77 D79 N172 M173 V178L74-K175 HydrophobicContact CD2-CB 4.24Å; L74-K175 HydrophobicContact CD2-CD 4.39Å; K77-K175 HydrophobicContact CD-CD 4.32Å; D79-K175 IonicContact OD2-NZ 2.78Å; D79-K175 PolarHBondContact OD2-NZ 3.33Å; N172-K175 WeakPolarHBondContact O-CA 3.5Å; N172-K175 WeakPolarHBondContact O-CB 3.34Å; N172-K175 PolarHBondContact O-N 3.5Å; N172-K175 WeakPolarHBondContact OD1-CD 3.35Å; N172-K175 WeakPolarHBondContact OD1-CE 3.13Å; N172-K175 PolarHBondContact OD1-NZ 3.49Å; M173-K175 VanDerWaalsContact C-N 3.27Å; M173-K175 PolarHBondContact O-N 2.79Å; K175-V178 VanDerWaalsContact O-CG2 3.28Å; K175-V178 WeakPolarHBondContact O-CG2 3.42Å
176I74Confident76.8Confident14 Ų1486.3 Ų86.37%0.07244%0.436CS..Hα-helixtrans-84.6-24.7-177.7-157.4173.9000111.8C70 L74 N172 M173 V178 W184C70-I176 HydrophobicContact CB-CG1 3.98Å; C70-I176 WeakPolarHBondContact CB-O 3.37Å; C70-I176 PolarHBondContact SG-O 2.87Å; L74-I176 HydrophobicContact CD1-CB 3.92Å; L74-I176 HydrophobicContact CD1-CD1 3.54Å; L74-I176 HydrophobicContact CD1-CG1 3.66Å; N172-I176 PolarHBondContact O-N 3.07Å; M173-I176 WeakPolarHBondContact O-CG2 3.28Å; I176-V178 PolarHBondContact O-N 3.37Å; I176-W184 HydrophobicContact CB-CG 4.49Å; I176-W184 HydrophobicContact CD1-CB 4.48Å; I176-W184 HydrophobicContact CD1-CD2 3.36Å; I176-W184 HydrophobicContact CD1-CE3 3.54Å; I176-W184 HydrophobicContact CD1-CG 3.81Å; I176-W184 HydrophobicContact CD1-CH2 4.14Å; I176-W184 HydrophobicContact CD1-CZ2 3.99Å; I176-W184 HydrophobicContact CD1-CZ3 3.93Å; I176-W184 HydrophobicContact CG1-CD2 3.87Å; I176-W184 HydrophobicContact CG1-CG 3.9Å; I176-W184 HydrophobicContact CG1-CZ2 4.43Å; I176-W184 HydrophobicContact CG2-CB 3.7Å; I176-W184 HydrophobicContact CG2-CG 3.85Å
177Q75.6Confident77Confident98 Ų9884.1 Ų84.146%0.45844%0.439SS..  trans-76.459173.9-71.5-173.717.500112M173 W184M173-Q177 WeakPolarHBondContact O-CB 3.46Å; M173-Q177 VanDerWaalsContact O-CG 3.26Å; M173-Q177 WeakPolarHBondContact O-CG 3.11Å; M173-Q177 PolarHBondContact O-N 3.41Å; Q177-W184 PolarHBondContact NE2-O 3.21Å
178V74.4Confident77.2Confident74 Ų7485 Ų8545%0.44845%0.446SS..  trans-77.3-37.1177.8-174.50000111.2P73 K175 I176P73-V178 HydrophobicContact CG-CG2 3.92Å; K175-V178 VanDerWaalsContact O-CG2 3.28Å; K175-V178 WeakPolarHBondContact O-CG2 3.42Å; I176-V178 PolarHBondContact O-N 3.37Å
179I75.8Confident77.8Confident38 Ų3890.2 Ų90.220%0.19546%0.459CS..SBendtrans-100.6116.5-177-59.9171.5000108.2D66 H69 D181 F182D66-I179 HydrophobicContact CB-CD1 3.68Å; H69-I179 HydrophobicContact CB-CD1 4.23Å; I179-D181 VanDerWaalsContact C-N 3.25Å; I179-D181 PolarHBondContact O-N 3.02Å; I179-F182 HydrophobicContact CB-CB 3.81Å; I179-F182 HydrophobicContact CG2-CB 3.6Å; I179-F182 PolarHBondContact O-N 3.24Å; I179-F182 VanDerWaalsContact O-N 3.08Å
180K69.1Low78.5Confident195 Ų19596 Ų9685%0.84848%0.48SS*.THydrogen-bonded Turntrans-57.5-36.6-173.8-173.9-178.5174.6-171.60113.4
181D81.6Confident79.3Confident147 Ų14793.9 Ų93.979%0.78646%0.464SS*.THydrogen-bonded Turntrans-98.414.2-177.4-55.9-47.1000112.7I179I179-D181 VanDerWaalsContact C-N 3.25Å; I179-D181 PolarHBondContact O-N 3.02Å
182F87.6Confident80.2Confident39 Ų3988.2 Ų88.217%0.17145%0.449CS..SBendtrans-131.972.2177.7-163.4-92.8000110.5Y63 D66 T67 I179 W184Y63-F182 AromaticContact CD2-CE2 3.71Å; Y63-F182 HydrophobicContact CD2-CE2 3.71Å; Y63-F182 HydrophobicContact CD2-CZ 4.07Å; Y63-F182 AromaticContact CE2-CE2 3.82Å; Y63-F182 HydrophobicContact CE2-CE2 3.82Å; Y63-F182 AromaticContact CE2-CZ 3.83Å; Y63-F182 HydrophobicContact CE2-CZ 3.83Å; D66-F182 HydrophobicContact CB-CD2 4.03Å; D66-F182 HydrophobicContact CB-CE2 4.17Å; D66-F182 HydrophobicContact CB-CG 4.22Å; D66-F182 HydrophobicContact CB-CZ 4.48Å; T67-F182 VanDerWaalsContact OG1-CZ 3.31Å; T67-F182 WeakPolarHBondContact OG1-CZ 3.49Å; I179-F182 HydrophobicContact CB-CB 3.81Å; I179-F182 HydrophobicContact CG2-CB 3.6Å; I179-F182 PolarHBondContact O-N 3.24Å; I179-F182 VanDerWaalsContact O-N 3.08Å; F182-W184 AromaticContact CD1-NE1 3.7Å; F182-W184 HydrophobicContact CE1-CZ2 4.36Å; F182-W184 AromaticContact CE1-NE1 3.7Å
183P90.3Very high81.1Confident96 Ų9694 Ų9462%0.62348%0.475SS*.  trans-73.8136.5-175.230.1-34.4000111.6
184W90.8Very high82Confident35 Ų3592 Ų9213%0.13347%0.465CS..  trans-94.5140.2168.1-72.873000110.4T67 C70 V71 V163 M173 I176 Q177 F182T67-W184 HydrophobicContact CG2-CH2 3.84Å; T67-W184 HydrophobicContact CG2-CZ2 3.78Å; C70-W184 HydrophobicContact CB-CZ2 4.01Å; C70-W184 PolarHBondContact SG-NE1 3.35Å; C70-W184 VanDerWaalsContact SG-NE1 3.4Å; V71-W184 HydrophobicContact CG2-CH2 4.08Å; V71-W184 HydrophobicContact CG2-CZ2 4.14Å; V163-W184 HydrophobicContact CB-CZ3 4.29Å; V163-W184 HydrophobicContact CG2-CH2 3.58Å; V163-W184 HydrophobicContact CG2-CZ3 3.62Å; M173-W184 VanDerWaalsContact CE-O 3.28Å; M173-W184 WeakPolarHBondContact CE-O 3.43Å; I176-W184 HydrophobicContact CB-CG 4.49Å; I176-W184 HydrophobicContact CD1-CB 4.48Å; I176-W184 HydrophobicContact CD1-CD2 3.36Å; I176-W184 HydrophobicContact CD1-CE3 3.54Å; I176-W184 HydrophobicContact CD1-CG 3.81Å; I176-W184 HydrophobicContact CD1-CH2 4.14Å; I176-W184 HydrophobicContact CD1-CZ2 3.99Å; I176-W184 HydrophobicContact CD1-CZ3 3.93Å; I176-W184 HydrophobicContact CG1-CD2 3.87Å; I176-W184 HydrophobicContact CG1-CG 3.9Å; I176-W184 HydrophobicContact CG1-CZ2 4.43Å; I176-W184 HydrophobicContact CG2-CB 3.7Å; I176-W184 HydrophobicContact CG2-CG 3.85Å; Q177-W184 PolarHBondContact NE2-O 3.21Å; F182-W184 AromaticContact CD1-NE1 3.7Å; F182-W184 HydrophobicContact CE1-CZ2 4.36Å; F182-W184 AromaticContact CE1-NE1 3.7Å
185I90.6Very high82.7Confident128 Ų12890.3 Ų90.366%0.65646%0.457SS*.  trans-114.8163.2175.163.4170.7000110.5
186L89.7Confident83.6Confident89 Ų8992.7 Ų92.747%0.46647%0.473SS..PPolyproline II helixtrans-72.3132.7167-61.8178.5000108.1A169 M173A169-L186 HydrophobicContact CB-CD2 3.32Å; M173-L186 HydrophobicContact CE-CG 4.23Å
187A90.3Very high84.5Confident52 Ų5294.5 Ų94.543%0.4349%0.485SS..PPolyproline II helixtrans-69135.4178.700000110.3L162 D191 V192L162-A187 HydrophobicContact CD2-CB 4.04Å; A187-D191 HydrophobicContact CB-CB 4.41Å; A187-V192 HydrophobicContact CB-CG2 3.74Å
188D87.9Confident85.4Confident110 Ų11095.4 Ų95.459%0.58849%0.485SS*.PPolyproline II helixtrans-81.4163.8174.9-73.2-39.4000110.3Q190 D191 V192D188-Q190 PolarHBondContact O-N 3.3Å; D188-Q190 VanDerWaalsContact O-N 3.12Å; D188-D191 PolarHBondContact N-OD2 3.48Å; D188-D191 VanDerWaalsContact N-OD2 3.13Å; D188-D191 PolarHBondContact O-N 3.44Å; D188-D191 VanDerWaalsContact O-N 3.09Å; D188-V192 PolarHBondContact O-N 2.95Å
189E85.4Confident86.5Confident173 Ų17397.3 Ų97.381%0.80849%0.492SS*.Hα-helixtrans-56.9-30.5178-70.8-173.3170.900112.4D191 V192 H193E189-D191 VanDerWaalsContact C-N 3.34Å; E189-D191 PolarHBondContact O-N 3.34Å; E189-V192 PolarHBondContact O-N 3.27Å; E189-H193 WeakPolarHBondContact O-CA 3.44Å; E189-H193 WeakPolarHBondContact O-CB 3.28Å; E189-H193 PolarHBondContact O-N 3.07Å
190Q82.3Confident87.5Confident165 Ų16596.5 Ų96.577%0.77149%0.488SS*.Hα-helixtrans-68.4-32.2-179.9-62.1-179.220.700112.8D188D188-Q190 PolarHBondContact O-N 3.3Å; D188-Q190 VanDerWaalsContact O-N 3.12Å
191D80.4Confident88.8Confident50 Ų5092.3 Ų92.327%0.26748%0.48SS..Hα-helixtrans-75.6-31178.8-57.8-47.9000111.7A187 D188 E189A187-D191 HydrophobicContact CB-CB 4.41Å; D188-D191 PolarHBondContact N-OD2 3.48Å; D188-D191 VanDerWaalsContact N-OD2 3.13Å; D188-D191 PolarHBondContact O-N 3.44Å; D188-D191 VanDerWaalsContact O-N 3.09Å; E189-D191 VanDerWaalsContact C-N 3.34Å; E189-D191 PolarHBondContact O-N 3.34Å
192V84.3Confident89.6Confident52 Ų5286 Ų8632%0.31545%0.447SS..Hα-helixtrans-98.1-34.7-173-173.40000111.9K97 L162 A187 D188 E189 M194K97-V192 WeakPolarHBondContact CE-O 3.39Å; K97-V192 PolarHBondContact NZ-O 3.04Å; L162-V192 HydrophobicContact CD1-CG2 4.16Å; A187-V192 HydrophobicContact CB-CG2 3.74Å; D188-V192 PolarHBondContact O-N 2.95Å; E189-V192 PolarHBondContact O-N 3.27Å; V192-M194 PolarHBondContact O-N 3.35Å
193H89.3Confident90.1Very high125 Ų12587.7 Ų87.758%0.57945%0.454SS*.  trans-73123.7-173.3-174.475.7000110.9E189E189-H193 WeakPolarHBondContact O-CA 3.44Å; E189-H193 WeakPolarHBondContact O-CB 3.28Å; E189-H193 PolarHBondContact O-N 3.07Å
194M88.6Confident90.4Very high14 Ų1486.5 Ų86.57%0.06945%0.445CS..  trans-122.4125.4167.9-172.3154.76600108.5P94 K97 V192 D196 P197 E217 R219P94-M194 HydrophobicContact CB-CB 4.46Å; P94-M194 HydrophobicContact CB-SD 4.25Å; K97-M194 HydrophobicContact CG-CE 4.21Å; V192-M194 PolarHBondContact O-N 3.35Å; M194-D196 PolarHBondContact O-N 3.2Å; M194-P197 HydrophobicContact CE-CB 3.5Å; M194-P197 VanDerWaalsContact CE-CB 3.5Å; M194-P197 HydrophobicContact CG-CB 4.27Å; M194-E217 HydrophobicContact CE-CB 3.14Å; M194-E217 HydrophobicContact CE-CG 4.43Å; M194-E217 VanDerWaalsContact CE-O 3.23Å; M194-E217 WeakPolarHBondContact CE-O 3.32Å; M194-R219 HydrophobicContact CG-CB 4.28Å; M194-R219 HydrophobicContact SD-CB 4.02Å
195H81.4Confident90.5Very high141 Ų14185.2 Ų85.265%0.65344%0.44SS*.SBendtrans-75.7123-177.8-173.4-74000110.5
196D86.7Confident90.5Very high112 Ų11283.4 Ų83.460%0.59944%0.436SS*.SBendtrans47.464175.6-16531.3000114.1M194M194-D196 PolarHBondContact O-N 3.2Å
197P92.6Very high90.3Very high51 Ų5179.9 Ų79.933%0.33142%0.419SS..EExtended strand (participates in β ladder)trans-77.8132.1-174.731.9-34.3000112.2M194 E217 E218M194-P197 HydrophobicContact CE-CB 3.5Å; M194-P197 VanDerWaalsContact CE-CB 3.5Å; M194-P197 HydrophobicContact CG-CB 4.27Å; P197-E217 HydrophobicContact CB-CB 4.11Å; P197-E218 CarbonylContact C-O 3.57Å; P197-E218 WeakPolarHBondContact CA-O 3.41Å
198R95Very high89.8Confident117 Ų11782.3 Ų82.344%0.44242%0.424SS..EExtended strand (participates in β ladder)trans-77.6126166-174173.474159.45.4109.4V149 I200 E218V149-R198 PolarHBondContact O-NH2 2.85Å; R198-I200 HydrophobicContact CG-CG1 4.2Å; R198-E218 HydrophobicContact CB-CB 4.49Å; R198-E218 IonicContact CZ-OE2 3.19Å; R198-E218 PolarHBondContact N-O 3.06Å; R198-E218 IonicContact NE-OE2 3.04Å; R198-E218 PolarHBondContact NE-OE2 3.43Å; R198-E218 IonicContact NH2-OE2 2.82Å; R198-E218 PolarHBondContact NH2-OE2 3.46Å; R198-E218 PolarHBondContact O-N 3.05Å
199L96.3Very high89.6Confident114 Ų11477.5 Ų77.560%0.59740%0.398SS*.EExtended strand (participates in β ladder)trans-90.4123.3177.1-76.1169.1000111.4Y215 E217L199-Y215 HydrophobicContact CD2-CD2 3.57Å; L199-Y215 HydrophobicContact CD2-CE2 3.63Å; L199-E217 HydrophobicContact CD2-CG 3.75Å
200I97.2Very high89.7Confident21 Ų2169.3 Ų69.311%0.10836%0.36CS..EExtended strand (participates in β ladder)trans-124.599.7-176-56.6166.3000108.9V149 L150 R198 L202 Y215 V216 E218V149-I200 HydrophobicContact CG2-CG2 4.17Å; L150-I200 HydrophobicContact CD2-CD1 3.47Å; L150-I200 VanDerWaalsContact CD2-CD1 3.47Å; R198-I200 HydrophobicContact CG-CG1 4.2Å; I200-L202 HydrophobicContact CG2-CD2 4.49Å; I200-L202 PolarHBondContact O-N 3.2Å; I200-Y215 CarbonylContact O-C 3.57Å; I200-Y215 WeakPolarHBondContact O-CA 3.17Å; I200-V216 HydrophobicContact CB-CB 4.4Å; I200-V216 PolarHBondContact N-O 3.16Å; I200-V216 PolarHBondContact O-N 2.86Å; I200-E218 HydrophobicContact CD1-CB 4.01Å; I200-E218 VanDerWaalsContact CD1-OE2 3.3Å; I200-E218 WeakPolarHBondContact CD1-OE2 3.44Å
201P97.4Very high90.2Very high107 Ų10766.1 Ų66.170%0.69534%0.344SS*.EExtended strand (participates in β ladder)trans-70.8129.2179.528-32.8000110.9
202L97.1Very high91Very high16 Ų1663.8 Ų63.88%0.08433%0.331CS..EExtended strand (participates in β ladder)trans-99.8-51.6176.3-63.9-174.9000111.6F98 K142 C146 V149 I200 L214 V216F98-L202 HydrophobicContact CD1-CD1 4.4Å; F98-L202 HydrophobicContact CE1-CD1 4.26Å; K142-L202 HydrophobicContact CB-CB 4.35Å; K142-L202 WeakPolarHBondContact CD-O 3.34Å; K142-L202 WeakPolarHBondContact CG-O 3.13Å; C146-L202 HydrophobicContact CB-CD1 4.11Å; C146-L202 HydrophobicContact CB-CD2 4.03Å; V149-L202 HydrophobicContact CG2-CD2 4.29Å; I200-L202 HydrophobicContact CG2-CD2 4.49Å; I200-L202 PolarHBondContact O-N 3.2Å; L202-L214 HydrophobicContact CB-CD2 4.22Å; L202-L214 HydrophobicContact CB-CG 4.1Å; L202-L214 HydrophobicContact CD1-CD2 3.95Å; L202-L214 HydrophobicContact CD1-CG 4.06Å; L202-L214 PolarHBondContact N-O 3.08Å; L202-V216 HydrophobicContact CD1-CG2 3.7Å; L202-V216 HydrophobicContact CG-CG2 4.08Å
203K97.8Very high91.7Very high74 Ų7465.5 Ų65.532%0.32234%0.336SS..EExtended strand (participates in β ladder)trans-159146.2-178.4-168.862.1-169.1173.60113.1A138 F139 K142 L214A138-K203 HydrophobicContact CB-CD 4.16Å; A138-K203 HydrophobicContact CB-CG 4.36Å; F139-K203 HydrophobicContact CD1-CB 3.79Å; F139-K203 HydrophobicContact CD1-CG 4.13Å; F139-K203 HydrophobicContact CD2-CB 4.4Å; F139-K203 HydrophobicContact CD2-CG 3.84Å; F139-K203 HydrophobicContact CE1-CB 3.77Å; F139-K203 HydrophobicContact CE1-CG 4.01Å; F139-K203 WeakPolarHBondContact CE1-O 3.2Å; F139-K203 HydrophobicContact CE2-CB 4.37Å; F139-K203 HydrophobicContact CE2-CG 3.69Å; F139-K203 HydrophobicContact CG-CB 4.1Å; F139-K203 HydrophobicContact CG-CG 4.04Å; F139-K203 HydrophobicContact CZ-CB 4.06Å; F139-K203 HydrophobicContact CZ-CG 3.78Å; K142-K203 HydrophobicContact CG-CB 4.27Å; K203-L214 PolarHBondContact N-O 3.23Å; K203-L214 PolarHBondContact O-N 3.46Å
204T97.1Very high92.1Very high70 Ų7059.6 Ų59.643%0.42931%0.309SS..EExtended strand (participates in β ladder)trans-126.2142.3169.3-56.80000109.4M212 Q213T204-M212 WeakPolarHBondContact CA-O 3.28Å; T204-Q213 HydrophobicContact CG2-CG 3.82Å
205M93.1Very high92.6Very high8 Ų860.5 Ų60.54%0.03931%0.311CS..EExtended strand (participates in β ladder)trans-132.1151.6168.766.5-180-84.600111.3V132 L135 L136 F139 L210 K211 M212V132-M205 HydrophobicContact CG1-CE 4.26Å; L135-M205 HydrophobicContact CB-CB 4.24Å; L135-M205 HydrophobicContact CB-CE 3.65Å; L135-M205 HydrophobicContact CB-SD 3.86Å; L135-M205 HydrophobicContact CD1-CB 4.39Å; L135-M205 HydrophobicContact CD1-CE 3.7Å; L135-M205 HydrophobicContact CG-CE 4.34Å; L136-M205 HydrophobicContact CD2-SD 3.92Å; F139-M205 HydrophobicContact CD2-SD 4.31Å; F139-M205 HydrophobicContact CE2-CB 3.78Å; F139-M205 HydrophobicContact CE2-CG 3.55Å; F139-M205 HydrophobicContact CE2-SD 3.47Å; F139-M205 WeakPolarHBondContact CE2-SD 3.31Å; F139-M205 HydrophobicContact CZ-CB 4.06Å; F139-M205 HydrophobicContact CZ-CG 3.66Å; F139-M205 HydrophobicContact CZ-SD 4.06Å; M205-L210 HydrophobicContact CE-CB 4.5Å; M205-L210 HydrophobicContact CE-CD2 3.97Å; M205-L210 HydrophobicContact CE-CG 4.27Å; M205-L210 HydrophobicContact SD-CD2 4.46Å; M205-K211 WeakPolarHBondContact O-CA 3.33Å; M205-M212 HydrophobicContact CG-CB 3.93Å; M205-M212 PolarHBondContact N-O 3.38Å; M205-M212 PolarHBondContact O-N 2.85Å; M205-M212 VanDerWaalsContact O-N 3.1Å; M205-M212 HydrophobicContact SD-CB 4.35Å; M205-M212 HydrophobicContact SD-CE 4.11Å
206T90.2Very high93.4Very high91 Ų9153.8 Ų53.856%0.55828%0.28SS*.EExtended strand (participates in β ladder)trans-137.8127.8171.1-70.20000107.6K211T206-K211 HydrophobicContact CG2-CD 4.2Å; T206-K211 HydrophobicContact CG2-CG 3.97Å
207S85.4Confident93.9Very high15 Ų1550.2 Ų50.211%0.10526%0.26CS..  trans-135.5173.3171.668.40000108.7I209 L210S207-I209 PolarHBondContact O-N 3.2Å; S207-I209 VanDerWaalsContact O-N 3.13Å; S207-I209 PolarHBondContact OG-N 2.92Å; S207-L210 PolarHBondContact N-O 3.15Å; S207-L210 PolarHBondContact OG-N 2.91Å; S207-L210 PolarHBondContact OG-O 3.3Å
208D81.3Confident94Very high103 Ų10347.8 Ų47.855%0.55124%0.244SC*.SBendtrans-62-20.4178.8-60.9-26.5000113.1P105 I110 L128P105-D208 WeakPolarHBondContact CG-O 3.21Å; I110-D208 HydrophobicContact CD1-CB 4.25Å; I110-D208 HydrophobicContact CG1-CB 4.24Å; L128-D208 HydrophobicContact CD1-CB 4.41Å
209I81.8Confident93.9Very high8 Ų844 Ų444%0.04123%0.23CC..SBendtrans-121.1-20-168.665.7155.4000113.3F11 V15 I110 L128 V132 S207F11-I209 HydrophobicContact CE1-CB 3.81Å; F11-I209 HydrophobicContact CE1-CG2 3.79Å; F11-I209 HydrophobicContact CE2-CG2 4.17Å; F11-I209 HydrophobicContact CZ-CB 3.54Å; F11-I209 HydrophobicContact CZ-CD1 3.85Å; F11-I209 HydrophobicContact CZ-CG1 4.3Å; F11-I209 HydrophobicContact CZ-CG2 3.22Å; V15-I209 HydrophobicContact CG2-CD1 4.05Å; I110-I209 HydrophobicContact CD1-CG2 3.69Å; L128-I209 HydrophobicContact CD1-CG2 4.08Å; L128-I209 HydrophobicContact CD2-CB 4.35Å; L128-I209 HydrophobicContact CD2-CD1 3.28Å; L128-I209 HydrophobicContact CD2-CG1 3.69Å; L128-I209 HydrophobicContact CD2-CG2 3.78Å; V132-I209 HydrophobicContact CG2-CD1 3.88Å; V132-I209 HydrophobicContact CG2-CG1 4.01Å; S207-I209 PolarHBondContact O-N 3.2Å; S207-I209 VanDerWaalsContact O-N 3.13Å; S207-I209 PolarHBondContact OG-N 2.92Å
210L88.4Confident93.3Very high2 Ų240.4 Ų40.41%0.0122%0.217CC..  trans-151124.5-174.5178.963.5000109.9L19 I102 V132 M205 S207 M212L19-L210 HydrophobicContact CD1-CD1 4.03Å; L19-L210 HydrophobicContact CD2-CD1 4.11Å; L19-L210 HydrophobicContact CD2-CD2 3.7Å; L19-L210 HydrophobicContact CG-CD1 4.46Å; L19-L210 HydrophobicContact CG-CD2 4.31Å; I102-L210 HydrophobicContact CG2-CD1 3.97Å; V132-L210 HydrophobicContact CG1-CD2 4.44Å; M205-L210 HydrophobicContact CE-CB 4.5Å; M205-L210 HydrophobicContact CE-CD2 3.97Å; M205-L210 HydrophobicContact CE-CG 4.27Å; M205-L210 HydrophobicContact SD-CD2 4.46Å; S207-L210 PolarHBondContact N-O 3.15Å; S207-L210 PolarHBondContact OG-N 2.91Å; S207-L210 PolarHBondContact OG-O 3.3Å; L210-M212 HydrophobicContact CG-CB 4.46Å
211K93.4Very high92.5Very high98 Ų9846.8 Ų46.843%0.42625%0.246SC..EExtended strand (participates in β ladder)trans-109.3131.8161.3-61.3-177-178.5-178.60107.5T103 M205 T206T103-K211 PolarHBondContact N-O 3.3Å; T103-K211 PolarHBondContact O-N 2.72Å; M205-K211 WeakPolarHBondContact O-CA 3.33Å; T206-K211 HydrophobicContact CG2-CD 4.2Å; T206-K211 HydrophobicContact CG2-CG 3.97Å
212M96.9Very high91.6Very high1 Ų142.7 Ų42.71%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-143.7138.3179.3-172.4172.767.700110.6L19 F22 F100 E101 I102 L136 F139 T204 M205 L210L19-M212 HydrophobicContact CD2-SD 4.12Å; F22-M212 HydrophobicContact CD1-CE 4Å; F22-M212 HydrophobicContact CD1-SD 4.32Å; F22-M212 HydrophobicContact CE1-CE 3.37Å; F22-M212 HydrophobicContact CE1-SD 3.88Å; F22-M212 HydrophobicContact CZ-CE 3.72Å; F100-M212 HydrophobicContact CD1-SD 4.36Å; E101-M212 CarbonylContact O-C 3.41Å; E101-M212 VanDerWaalsContact O-CA 3.25Å; E101-M212 WeakPolarHBondContact O-CA 3.38Å; I102-M212 HydrophobicContact CG1-CG 4.31Å; I102-M212 HydrophobicContact CG1-SD 4.38Å; L136-M212 HydrophobicContact CD2-CE 3.52Å; F139-M212 HydrophobicContact CD1-CE 3.88Å; F139-M212 HydrophobicContact CD2-CE 4.03Å; F139-M212 HydrophobicContact CE1-CE 3.69Å; F139-M212 HydrophobicContact CE1-CG 4.37Å; F139-M212 HydrophobicContact CE2-CE 3.86Å; F139-M212 HydrophobicContact CG-CE 4.06Å; F139-M212 HydrophobicContact CZ-CB 4.39Å; F139-M212 HydrophobicContact CZ-CE 3.7Å; F139-M212 HydrophobicContact CZ-CG 4.46Å; T204-M212 WeakPolarHBondContact CA-O 3.28Å; M205-M212 HydrophobicContact CG-CB 3.93Å; M205-M212 PolarHBondContact N-O 3.38Å; M205-M212 PolarHBondContact O-N 2.85Å; M205-M212 VanDerWaalsContact O-N 3.1Å; M205-M212 HydrophobicContact SD-CB 4.35Å; M205-M212 HydrophobicContact SD-CE 4.11Å; L210-M212 HydrophobicContact CG-CB 4.46Å
213Q97.9Very high90.1Very high87 Ų8744.7 Ų44.741%0.40724%0.241SC..EExtended strand (participates in β ladder)trans-120.9140.6170.5-51.1-1636.900109.6F100 E101 T204F100-Q213 CarbonylContact C-O 3.5Å; F100-Q213 WeakPolarHBondContact CA-O 3.36Å; E101-Q213 HydrophobicContact CB-CB 4.36Å; E101-Q213 PolarHBondContact N-O 3.16Å; E101-Q213 PolarHBondContact O-N 3.01Å; T204-Q213 HydrophobicContact CG2-CG 3.82Å
214L98.5Very high87.5Confident2 Ų248.9 Ų48.91%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-121.5119.6170.7175.262000108.2F98 V99 F100 F139 I143 L202 K203F98-L214 HydrophobicContact CB-CD1 4.38Å; V99-L214 WeakPolarHBondContact O-CA 3.34Å; F100-L214 HydrophobicContact CD1-CD1 3.92Å; F100-L214 HydrophobicContact CD2-CD1 4.26Å; F100-L214 HydrophobicContact CE1-CD1 3.71Å; F100-L214 HydrophobicContact CE1-CD2 4.07Å; F100-L214 HydrophobicContact CE1-CG 4.34Å; F100-L214 HydrophobicContact CE2-CD1 4.06Å; F100-L214 HydrophobicContact CG-CD1 4.19Å; F100-L214 HydrophobicContact CZ-CD1 3.78Å; F100-L214 HydrophobicContact CZ-CD2 4.43Å; F139-L214 HydrophobicContact CD1-CB 3.5Å; F139-L214 VanDerWaalsContact CD1-CB 3.5Å; F139-L214 HydrophobicContact CD1-CD2 3.93Å; F139-L214 HydrophobicContact CD1-CG 4.38Å; F139-L214 HydrophobicContact CE1-CB 3.56Å; I143-L214 HydrophobicContact CD1-CD2 3.82Å; I143-L214 HydrophobicContact CG1-CD2 3.66Å; L202-L214 HydrophobicContact CB-CD2 4.22Å; L202-L214 HydrophobicContact CB-CG 4.1Å; L202-L214 HydrophobicContact CD1-CD2 3.95Å; L202-L214 HydrophobicContact CD1-CG 4.06Å; L202-L214 PolarHBondContact N-O 3.08Å; K203-L214 PolarHBondContact N-O 3.23Å; K203-L214 PolarHBondContact O-N 3.46Å
215Y98.4Very high87Confident33 Ų3347.9 Ų47.913%0.12927%0.273CS..EExtended strand (participates in β ladder)trans-137158.217261.7-92.4000109.7K82 V99 E101 L199 I200 E217K82-Y215 PolarHBondContact NZ-OH 2.78Å; V99-Y215 HydrophobicContact CB-CD1 4.33Å; V99-Y215 HydrophobicContact CB-CD2 4.03Å; V99-Y215 HydrophobicContact CB-CE1 3.94Å; V99-Y215 HydrophobicContact CB-CE2 3.62Å; V99-Y215 HydrophobicContact CB-CG 4.38Å; V99-Y215 HydrophobicContact CG1-CE1 3.75Å; V99-Y215 HydrophobicContact CG1-CE2 4.01Å; V99-Y215 VanDerWaalsContact CG1-CZ 3.44Å; V99-Y215 WeakPolarHBondContact CG1-OH 3.49Å; V99-Y215 HydrophobicContact CG2-CD2 4.24Å; V99-Y215 HydrophobicContact CG2-CE2 3.67Å; V99-Y215 PolarHBondContact N-O 3.42Å; V99-Y215 PolarHBondContact O-N 2.82Å; E101-Y215 HydrophobicContact CB-CE1 4.38Å; L199-Y215 HydrophobicContact CD2-CD2 3.57Å; L199-Y215 HydrophobicContact CD2-CE2 3.63Å; I200-Y215 CarbonylContact O-C 3.57Å; I200-Y215 WeakPolarHBondContact O-CA 3.17Å; Y215-E217 HydrophobicContact CD2-CG 4.19Å; Y215-E217 HydrophobicContact CE2-CG 3.83Å
216V98.3Very high86.7Confident0 Ų049.9 Ų49.90%029%0.285CS..EExtended strand (participates in β ladder)trans-107.3127.3174.8-174.50000108.5E96 K97 F98 L150 I200 L202E96-V216 HydrophobicContact CB-CG1 4.4Å; K97-V216 CarbonylContact O-C 3.6Å; K97-V216 VanDerWaalsContact O-CA 3.23Å; K97-V216 WeakPolarHBondContact O-CA 3.49Å; F98-V216 HydrophobicContact CD1-CG2 3.6Å; F98-V216 HydrophobicContact CE1-CG2 3.53Å; F98-V216 HydrophobicContact CE2-CG1 4.47Å; F98-V216 HydrophobicContact CG-CG2 4.16Å; F98-V216 HydrophobicContact CZ-CG2 4.02Å; L150-V216 HydrophobicContact CD1-CG1 4.38Å; L150-V216 HydrophobicContact CD1-CG2 4.31Å; L150-V216 HydrophobicContact CD2-CB 3.97Å; L150-V216 HydrophobicContact CD2-CG1 3.75Å; L150-V216 HydrophobicContact CD2-CG2 4.27Å; I200-V216 HydrophobicContact CB-CB 4.4Å; I200-V216 PolarHBondContact N-O 3.16Å; I200-V216 PolarHBondContact O-N 2.86Å; L202-V216 HydrophobicContact CD1-CG2 3.7Å; L202-V216 HydrophobicContact CG-CG2 4.08Å
217E97.4Very high86.5Confident37 Ų3747.7 Ų47.717%0.17327%0.27CS..EExtended strand (participates in β ladder)trans-88.4124.8160.7-53.8-178.217300106.9E96 K97 V99 M194 P197 L199 Y215E96-E217 CarbonylContact C-O 3.53Å; E96-E217 VanDerWaalsContact CA-O 3.31Å; E96-E217 WeakPolarHBondContact CA-O 3.39Å; K97-E217 HydrophobicContact CB-CB 4.13Å; K97-E217 WeakPolarHBondContact CD-OE2 3.49Å; K97-E217 PolarHBondContact N-O 3.26Å; K97-E217 IonicContact NZ-OE2 3.06Å; K97-E217 PolarHBondContact NZ-OE2 2.86Å; K97-E217 PolarHBondContact O-N 3.01Å; V99-E217 HydrophobicContact CG2-CG 4.12Å; M194-E217 HydrophobicContact CE-CB 3.14Å; M194-E217 HydrophobicContact CE-CG 4.43Å; M194-E217 VanDerWaalsContact CE-O 3.23Å; M194-E217 WeakPolarHBondContact CE-O 3.32Å; P197-E217 HydrophobicContact CB-CB 4.11Å; L199-E217 HydrophobicContact CD2-CG 3.75Å; Y215-E217 HydrophobicContact CD2-CG 4.19Å; Y215-E217 HydrophobicContact CE2-CG 3.83Å
218E95.6Very high86.5Confident0 Ų049.6 Ų49.60%028%0.28CS..EExtended strand (participates in β ladder)trans-122.6130.7-176.3-174.7-179.1-126.300110.9L150 D151 P197 R198 I200 A220 K222L150-E218 WeakPolarHBondContact CA-OE1 3.39Å; D151-E218 PolarHBondContact N-OE1 3.04Å; P197-E218 CarbonylContact C-O 3.57Å; P197-E218 WeakPolarHBondContact CA-O 3.41Å; R198-E218 HydrophobicContact CB-CB 4.49Å; R198-E218 IonicContact CZ-OE2 3.19Å; R198-E218 PolarHBondContact N-O 3.06Å; R198-E218 IonicContact NE-OE2 3.04Å; R198-E218 PolarHBondContact NE-OE2 3.43Å; R198-E218 IonicContact NH2-OE2 2.82Å; R198-E218 PolarHBondContact NH2-OE2 3.46Å; R198-E218 PolarHBondContact O-N 3.05Å; I200-E218 HydrophobicContact CD1-CB 4.01Å; I200-E218 VanDerWaalsContact CD1-OE2 3.3Å; I200-E218 WeakPolarHBondContact CD1-OE2 3.44Å; E218-A220 PolarHBondContact O-N 2.67Å; E218-K222 WeakPolarHBondContact OE1-CE 3.49Å; E218-K222 IonicContact OE1-NZ 3.4Å; E218-K222 PolarHBondContact OE1-NZ 2.86Å
219R92.6Very high86.8Confident36 Ų3646.3 Ų46.314%0.13626%0.263CS..EExtended strand (participates in β ladder)trans-64122.8175.2-171.9166.877.5-161.79.9109.7D89 P94 V95 M194 H221 K222D89-R219 IonicContact OD2-CZ 2.7Å; D89-R219 IonicContact OD2-NH1 3.34Å; D89-R219 PolarHBondContact OD2-NH1 3.47Å; D89-R219 IonicContact OD2-NH2 2.66Å; D89-R219 PolarHBondContact OD2-NH2 2.89Å; P94-R219 PolarHBondContact O-NH1 3.2Å; V95-R219 WeakPolarHBondContact O-CB 3.26Å; V95-R219 PolarHBondContact O-N 3.41Å; M194-R219 HydrophobicContact CG-CB 4.28Å; M194-R219 HydrophobicContact SD-CB 4.02Å; R219-H221 PolarHBondContact NE-O 3Å; R219-H221 VanDerWaalsContact NE-O 3.15Å; R219-H221 PolarHBondContact O-N 3.03Å; R219-K222 HydrophobicContact CB-CG 4.49Å
220A83.4Confident87.2Confident39 Ų3948.8 Ų48.832%0.32228%0.277SS..SBendtrans-54.1-29.5-175.700000114.4E218E218-A220 PolarHBondContact O-N 2.67Å
221H81.4Confident87.1Confident156 Ų15652.1 Ų52.172%0.72230%0.296SS*.  trans-130.4104.2175.5-58.583.3000109.7R219 G223R219-H221 PolarHBondContact NE-O 3Å; R219-H221 VanDerWaalsContact NE-O 3.15Å; R219-H221 PolarHBondContact O-N 3.03Å; H221-G223 PolarHBondContact O-N 3.17Å
222K78.5Confident86.6Confident21 Ų2148.6 Ų48.69%0.09129%0.286CS..  trans-88.433.2174.3-60.2-176.2-168.5166.30112.8E96 D151 H152 N153 P154 E218 R219E96-K222 IonicContact OE1-NZ 3.72Å; E96-K222 PolarHBondContact OE1-NZ 3.44Å; D151-K222 HydrophobicContact CB-CD 4.37Å; D151-K222 PolarHBondContact O-NZ 2.96Å; H152-K222 WeakPolarHBondContact O-CD 3.49Å; N153-K222 PolarHBondContact OD1-NZ 3.01Å; P154-K222 HydrophobicContact CG-CB 4.42Å; P154-K222 WeakPolarHBondContact CG-O 3.43Å; E218-K222 WeakPolarHBondContact OE1-CE 3.49Å; E218-K222 IonicContact OE1-NZ 3.4Å; E218-K222 PolarHBondContact OE1-NZ 2.86Å; R219-K222 HydrophobicContact CB-CG 4.49Å
223G64Low85.8Confident57 Ų5752.6 Ų52.659%0.58831%0.31SS*.  trans-40.6145.8-165.600000116.4H221H221-G223 PolarHBondContact O-N 3.17Å
224S43.1Very low84.7Confident163 Ų16349.5 Ų49.5100%1.1430%0.301SS*.  trans-650176.875.60000113

Retrieved 224 of 224 residues in 102.7 ms (Link to these results)

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