A0A077Z2Z5_TRITR Loading...

Diacylglycerol kinase

AlphaFold DB , UniProt , Accession A0A077Z2Z5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 743 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
1M37.7Very low54.2Low116 Ų116101.8 Ų101.857%0.57156%0.557SS**  0590-81.2-148.4137.800110.9Y4 L19 L95M1-Y4 VanDerWaalsContact CA-CE2 3.45Å; M1-Y4 HydrophobicContact CB-CD2 3.71Å; M1-Y4 HydrophobicContact CB-CE2 3.38Å; M1-Y4 HydrophobicContact CE-CE2 3.76Å; M1-Y4 HydrophobicContact CG-CD2 4.21Å; M1-Y4 HydrophobicContact CG-CE2 3.52Å; M1-Y4 WeakPolarHBondContact O-CD2 3.43Å; M1-Y4 HydrophobicContact SD-CD2 4.16Å; M1-Y4 HydrophobicContact SD-CE2 3.73Å; M1-L19 HydrophobicContact CE-CD1 3.84Å; M1-L95 HydrophobicContact SD-CD2 4.41Å
2A36.6Very low57Low100 Ų100100.3 Ų100.383%0.82655%0.548SS*.THydrogen-bonded Turntrans-110.329.5-151.100000116.9
3P35.8Very low59.4Low121 Ų12194.6 Ų94.679%0.78652%0.515SS*.THydrogen-bonded Turn-161.110311234.9-12.5000113.1
4Y43.9Very low61.4Low137 Ų13796.1 Ų96.154%0.53752%0.522SS..  trans-96.1116.2177.9-71.9-77.1000111.9M1 M6M1-Y4 VanDerWaalsContact CA-CE2 3.45Å; M1-Y4 HydrophobicContact CB-CD2 3.71Å; M1-Y4 HydrophobicContact CB-CE2 3.38Å; M1-Y4 HydrophobicContact CE-CE2 3.76Å; M1-Y4 HydrophobicContact CG-CD2 4.21Å; M1-Y4 HydrophobicContact CG-CE2 3.52Å; M1-Y4 WeakPolarHBondContact O-CD2 3.43Å; M1-Y4 HydrophobicContact SD-CD2 4.16Å; M1-Y4 HydrophobicContact SD-CE2 3.73Å; Y4-M6 HydrophobicContact CD1-CE 4.25Å; Y4-M6 HydrophobicContact CG-CE 3.97Å
5R43.2Very low63.1Low229 Ų22991.5 Ų91.586%0.86451%0.506SS*.  trans-67.2123.9155.5-64.3176.3177.3179.9-3106.7
6M52.8Low64.5Low36 Ų3685.9 Ų85.918%0.17748%0.475CS..  trans-135.365.3-173.5-69.5-143.2152.500111.8Y4 G8 L91 L95Y4-M6 HydrophobicContact CD1-CE 4.25Å; Y4-M6 HydrophobicContact CG-CE 3.97Å; M6-G8 PolarHBondContact O-N 2.93Å; M6-L91 HydrophobicContact CE-CD1 4.39Å; M6-L91 HydrophobicContact CE-CD2 3.14Å; M6-L91 HydrophobicContact CE-CG 3.57Å; M6-L91 HydrophobicContact SD-CB 4.37Å; M6-L91 HydrophobicContact SD-CD2 3.7Å; M6-L91 HydrophobicContact SD-CG 3.63Å; M6-L95 HydrophobicContact CE-CD1 3.63Å; M6-L95 HydrophobicContact SD-CD1 3.2Å; M6-L95 WeakPolarHBondContact SD-CD1 3.02Å; M6-L95 HydrophobicContact SD-CG 4.26Å
7N48.5Very low65.8Low106 Ų10683.2 Ų83.257%0.56746%0.457SS*.SBendtrans-90.7103-178.5-68.531.7000109.2E9 E119N7-E9 PolarHBondContact O-N 2.71Å; N7-E9 VanDerWaalsContact O-N 3.1Å; N7-E119 PolarHBondContact ND2-O 3.43Å; N7-E119 PolarHBondContact OD1-O 2.98Å
8G57.7Low66.9Low74 Ų7481.8 Ų81.876%0.76346%0.459SS*.SBendtrans68.88.7167.400000116.9M6 V10M6-G8 PolarHBondContact O-N 2.93Å; G8-V10 PolarHBondContact O-N 3.05Å
9E72.2Confident67.8Low113 Ų11378.6 Ų78.653%0.52844%0.441SS..  trans-68.4122.9-179.8-68.6-173.6170.400111.5N7 L91N7-E9 PolarHBondContact O-N 2.71Å; N7-E9 VanDerWaalsContact O-N 3.1Å; E9-L91 HydrophobicContact CB-CD2 4.45Å; E9-L91 WeakPolarHBondContact O-CB 3.34Å; E9-L91 PolarHBondContact O-N 3.47Å
10V81.9Confident68.4Low64 Ų6475.1 Ų75.139%0.38842%0.421SS..EExtended strand (participates in β ladder)trans-98.6145166.8-69.20000109.6G8 C88 A89 R90G8-V10 PolarHBondContact O-N 3.05Å; V10-C88 HydrophobicContact CB-CB 3.82Å; V10-C88 HydrophobicContact CG1-CB 4.25Å; V10-C88 HydrophobicContact CG2-CB 4.06Å; V10-A89 CarbonylContact C-O 3.58Å; V10-A89 VanDerWaalsContact CA-O 3.3Å; V10-A89 WeakPolarHBondContact CA-O 3.36Å; V10-R90 HydrophobicContact CG1-CG 4.28Å
11I85.5Confident68.8Low24 Ų2473.2 Ų73.212%0.12341%0.41CS..EExtended strand (participates in β ladder)trans-114.4139.717267.2177.6000109.6F16 L19 C88 A89 L91 I94I11-F16 HydrophobicContact CD1-CB 3.79Å; I11-F16 HydrophobicContact CD1-CD2 4.07Å; I11-F16 HydrophobicContact CD1-CG 4.45Å; I11-F16 HydrophobicContact CG1-CB 4.26Å; I11-L19 HydrophobicContact CD1-CD2 4.08Å; I11-C88 WeakPolarHBondContact O-CA 3.5Å; I11-A89 HydrophobicContact CG1-CB 4.3Å; I11-A89 PolarHBondContact N-O 3.22Å; I11-A89 PolarHBondContact O-N 3.37Å; I11-L91 HydrophobicContact CD1-CD1 4.01Å; I11-L91 HydrophobicContact CG2-CB 4.27Å; I11-L91 HydrophobicContact CG2-CD1 4.11Å; I11-L91 HydrophobicContact CG2-CD2 4.22Å; I11-L91 HydrophobicContact CG2-CG 4.44Å; I11-I94 HydrophobicContact CD1-CD1 3.33Å; I11-I94 HydrophobicContact CG1-CD1 3.76Å
12D88.5Confident70.6Confident83 Ų8375 Ų7544%0.44441%0.414SS..  trans-78-177.4168.561.513.6000110.6D14 G15 F16 F37D12-D14 VanDerWaalsContact C-N 3.32Å; D12-D14 PolarHBondContact O-N 2.96Å; D12-D14 PolarHBondContact OD1-N 3.04Å; D12-G15 PolarHBondContact O-N 2.7Å; D12-G15 PolarHBondContact OD1-N 2.66Å; D12-F16 WeakPolarHBondContact O-CB 3.33Å; D12-F16 PolarHBondContact O-N 3.1Å; D12-F37 VanDerWaalsContact C-CE2 3.49Å; D12-F37 WeakPolarHBondContact O-CE2 3.5Å
13F88.3Confident72.3Confident27 Ų2773.4 Ų73.412%0.11839%0.388CS..Hα-helixtrans-60.1-40.9179.8173.6-102.8000112.7F16 K17 K30 C33 L34 F37F13-F16 PolarHBondContact O-N 2.86Å; F13-K17 PolarHBondContact O-N 3.44Å; F13-K30 HydrophobicContact CE1-CG 4.16Å; F13-K30 HydrophobicContact CZ-CG 3.86Å; F13-C33 HydrophobicContact CE2-CB 3.95Å; F13-C33 HydrophobicContact CZ-CB 4.1Å; F13-L34 HydrophobicContact CD2-CD1 3.74Å; F13-L34 VanDerWaalsContact CE2-CA 3.49Å; F13-L34 HydrophobicContact CE2-CB 3.83Å; F13-L34 HydrophobicContact CE2-CD1 3.79Å; F13-L34 HydrophobicContact CE2-CG 4.45Å; F13-L34 HydrophobicContact CG-CD1 4.36Å; F13-L34 HydrophobicContact CZ-CB 4.27Å; F13-L34 HydrophobicContact CZ-CD1 4.41Å; F13-F37 HydrophobicContact CB-CD1 4.02Å; F13-F37 HydrophobicContact CB-CE1 3.92Å; F13-F37 HydrophobicContact CB-CG 4.41Å; F13-F37 HydrophobicContact CB-CZ 4.22Å; F13-F37 HydrophobicContact CD2-CB 3.87Å; F13-F37 AromaticContact CD2-CD1 3.93Å; F13-F37 HydrophobicContact CD2-CD1 3.93Å; F13-F37 AromaticContact CD2-CG 3.89Å; F13-F37 HydrophobicContact CD2-CG 3.89Å; F13-F37 HydrophobicContact CE2-CB 4.37Å; F13-F37 HydrophobicContact CG-CD1 4.47Å
14D87.6Confident74Confident115 Ų11571.4 Ų71.462%0.61537%0.37SS*.Hα-helixtrans-68.3-42.5-177.6-71.2-25.9000110.9D12 K17 A18D12-D14 VanDerWaalsContact C-N 3.32Å; D12-D14 PolarHBondContact O-N 2.96Å; D12-D14 PolarHBondContact OD1-N 3.04Å; D14-K17 PolarHBondContact O-N 2.77Å; D14-A18 WeakPolarHBondContact O-CB 3.33Å; D14-A18 PolarHBondContact O-N 3.08Å
15G86.6Confident75.4Confident28 Ų2871.9 Ų71.929%0.28938%0.382SS..Hα-helixtrans-61.5-41.2171.400000112.6D12 A18 L19D12-G15 PolarHBondContact O-N 2.7Å; D12-G15 PolarHBondContact OD1-N 2.66Å; G15-A18 PolarHBondContact O-N 3.43Å; G15-L19 WeakPolarHBondContact O-CB 3.39Å; G15-L19 PolarHBondContact O-N 2.69Å
16F85.8Confident76.8Confident2 Ų265 Ų651%0.00937%0.366CS..Hα-helixtrans-64.1-43.6175.9179.1-98000112.8I11 D12 F13 L19 L20 C33 L36 F37 F40 I94I11-F16 HydrophobicContact CD1-CB 3.79Å; I11-F16 HydrophobicContact CD1-CD2 4.07Å; I11-F16 HydrophobicContact CD1-CG 4.45Å; I11-F16 HydrophobicContact CG1-CB 4.26Å; D12-F16 WeakPolarHBondContact O-CB 3.33Å; D12-F16 PolarHBondContact O-N 3.1Å; F13-F16 PolarHBondContact O-N 2.86Å; F16-L19 PolarHBondContact O-N 3.43Å; F16-L20 HydrophobicContact CD1-CD1 3.82Å; F16-L20 HydrophobicContact CD1-CG 4.48Å; F16-L20 HydrophobicContact CE1-CD1 3.17Å; F16-L20 HydrophobicContact CE1-CG 4.04Å; F16-L20 HydrophobicContact CE2-CD1 4.42Å; F16-L20 HydrophobicContact CZ-CD1 3.52Å; F16-L20 HydrophobicContact CZ-CG 4.08Å; F16-L20 PolarHBondContact O-N 3.32Å; F16-C33 WeakPolarHBondContact CE1-O 3.43Å; F16-L36 HydrophobicContact CE1-CB 3.83Å; F16-L36 HydrophobicContact CZ-CB 3.8Å; F16-F37 HydrophobicContact CB-CD2 3.46Å; F16-F37 VanDerWaalsContact CB-CD2 3.46Å; F16-F37 HydrophobicContact CB-CE2 3.93Å; F16-F37 HydrophobicContact CB-CG 4.41Å; F16-F37 HydrophobicContact CD1-CB 3.59Å; F16-F37 AromaticContact CD1-CD2 3.88Å; F16-F37 HydrophobicContact CD1-CD2 3.88Å; F16-F37 HydrophobicContact CD1-CG 4.18Å; F16-F37 HydrophobicContact CD2-CD2 4.02Å; F16-F37 HydrophobicContact CE1-CB 3.76Å; F16-F37 HydrophobicContact CG-CB 4.15Å; F16-F37 AromaticContact CG-CD2 3.53Å; F16-F37 HydrophobicContact CG-CD2 3.53Å; F16-F37 HydrophobicContact CG-CE2 4.41Å; F16-F37 HydrophobicContact CG-CG 4.29Å; F16-F37 HydrophobicContact CZ-CB 4.48Å; F16-F40 AromaticContact CE2-CD2 3.7Å; F16-F40 HydrophobicContact CE2-CD2 3.7Å; F16-F40 AromaticContact CE2-CE2 3.9Å; F16-F40 HydrophobicContact CE2-CE2 3.9Å; F16-F40 AromaticContact CZ-CD2 3.97Å; F16-F40 HydrophobicContact CZ-CD2 3.97Å; F16-F40 AromaticContact CZ-CE2 3.99Å; F16-F40 HydrophobicContact CZ-CE2 3.99Å; F16-I94 HydrophobicContact CD2-CD1 3.58Å; F16-I94 HydrophobicContact CD2-CG1 4.12Å; F16-I94 HydrophobicContact CD2-CG2 4.37Å; F16-I94 HydrophobicContact CE2-CD1 3.96Å; F16-I94 HydrophobicContact CE2-CG1 3.97Å; F16-I94 HydrophobicContact CE2-CG2 3.99Å
17K85.8Confident78.2Confident39 Ų3969.4 Ų69.417%0.1739%0.39CS..Hα-helixtrans-62.4-48.6176.2-176.7178.5-173-59.40110.6F13 D14 L19 L20 D21 D27 M28 C33F13-K17 PolarHBondContact O-N 3.44Å; D14-K17 PolarHBondContact O-N 2.77Å; K17-L19 VanDerWaalsContact C-N 3.28Å; K17-L19 PolarHBondContact O-N 2.88Å; K17-L20 PolarHBondContact O-N 3.29Å; K17-L20 VanDerWaalsContact O-N 3.13Å; K17-D21 IonicContact NZ-OD1 3.43Å; K17-D21 PolarHBondContact NZ-OD1 3.34Å; K17-D21 IonicContact NZ-OD2 2.66Å; K17-D21 PolarHBondContact NZ-OD2 2.83Å; K17-D21 VanDerWaalsContact O-CG 3.22Å; K17-D21 PolarHBondContact O-N 3.22Å; K17-D27 IonicContact NZ-OD1 2.69Å; K17-D27 PolarHBondContact NZ-OD1 3.46Å; K17-M28 WeakPolarHBondContact CE-O 3.35Å; K17-C33 HydrophobicContact CG-CB 4.46Å
18A85.5Confident79.4Confident59 Ų5965.6 Ų65.649%0.48837%0.369SS..Hα-helixtrans-59-39.9178.400000112.3D14 G15 F22D14-A18 WeakPolarHBondContact O-CB 3.33Å; D14-A18 PolarHBondContact O-N 3.08Å; G15-A18 PolarHBondContact O-N 3.43Å; A18-F22 WeakPolarHBondContact O-CB 3.47Å; A18-F22 PolarHBondContact O-N 2.98Å; A18-F22 VanDerWaalsContact O-N 3.09Å
19L84.1Confident80.6Confident21 Ų2166 Ų6611%0.1136%0.358CS..Hα-helixtrans-62.6-46.8174.1178.167.8000112M1 I11 G15 F16 K17 F22 Y23 L91 I94 F98M1-L19 HydrophobicContact CE-CD1 3.84Å; I11-L19 HydrophobicContact CD1-CD2 4.08Å; G15-L19 WeakPolarHBondContact O-CB 3.39Å; G15-L19 PolarHBondContact O-N 2.69Å; F16-L19 PolarHBondContact O-N 3.43Å; K17-L19 VanDerWaalsContact C-N 3.28Å; K17-L19 PolarHBondContact O-N 2.88Å; L19-F22 PolarHBondContact O-N 3Å; L19-Y23 VanDerWaalsContact O-CB 3.24Å; L19-Y23 WeakPolarHBondContact O-CB 3.49Å; L19-Y23 PolarHBondContact O-N 3.43Å; L19-L91 HydrophobicContact CD2-CD1 3.65Å; L19-I94 HydrophobicContact CD2-CG2 3.86Å; L19-F98 HydrophobicContact CD2-CE2 4.06Å; L19-F98 HydrophobicContact CG-CE2 4.04Å
20L80Confident81.3Confident8 Ų866.5 Ų66.54%0.04236%0.358CS..Hα-helixtrans-64.1-44.2178.3-88177.2000112.5F16 K17 F22 Y23 L24 L36 F98F16-L20 HydrophobicContact CD1-CD1 3.82Å; F16-L20 HydrophobicContact CD1-CG 4.48Å; F16-L20 HydrophobicContact CE1-CD1 3.17Å; F16-L20 HydrophobicContact CE1-CG 4.04Å; F16-L20 HydrophobicContact CE2-CD1 4.42Å; F16-L20 HydrophobicContact CZ-CD1 3.52Å; F16-L20 HydrophobicContact CZ-CG 4.08Å; F16-L20 PolarHBondContact O-N 3.32Å; K17-L20 PolarHBondContact O-N 3.29Å; K17-L20 VanDerWaalsContact O-N 3.13Å; L20-F22 VanDerWaalsContact C-N 3.29Å; L20-F22 PolarHBondContact O-N 3.17Å; L20-Y23 PolarHBondContact O-N 3.46Å; L20-L24 HydrophobicContact CD2-CD1 4.26Å; L20-L24 WeakPolarHBondContact O-CB 3.5Å; L20-L24 PolarHBondContact O-N 3.13Å; L20-L36 HydrophobicContact CD1-CD1 4.03Å; L20-F98 HydrophobicContact CD2-CE1 3.91Å; L20-F98 HydrophobicContact CD2-CZ 3.62Å; L20-F98 HydrophobicContact CG-CZ 4.34Å
21D77.2Confident81.3Confident35 Ų3569.9 Ų69.919%0.18737%0.374CS..Hα-helixtrans-61.6-42.2179.8-66.6-22.2000110.6K17 D25 T26 M28K17-D21 IonicContact NZ-OD1 3.43Å; K17-D21 PolarHBondContact NZ-OD1 3.34Å; K17-D21 IonicContact NZ-OD2 2.66Å; K17-D21 PolarHBondContact NZ-OD2 2.83Å; K17-D21 VanDerWaalsContact O-CG 3.22Å; K17-D21 PolarHBondContact O-N 3.22Å; D21-D25 VanDerWaalsContact O-CA 3.31Å; D21-D25 WeakPolarHBondContact O-CA 3.37Å; D21-D25 PolarHBondContact O-N 3.4Å; D21-T26 VanDerWaalsContact CA-O 3.3Å; D21-T26 WeakPolarHBondContact CA-O 3.38Å; D21-T26 PolarHBondContact O-N 3.13Å; D21-T26 VanDerWaalsContact O-N 3.14Å; D21-M28 WeakPolarHBondContact OD1-CB 3.45Å; D21-M28 PolarHBondContact OD1-N 3.47Å
22F75.7Confident80.9Confident153 Ų15372.6 Ų72.667%0.67139%0.389SS*.Hα-helixtrans-65.7-44.6174.3178.2-95.9000112.2A18 L19 L20 D25A18-F22 WeakPolarHBondContact O-CB 3.47Å; A18-F22 PolarHBondContact O-N 2.98Å; A18-F22 VanDerWaalsContact O-N 3.09Å; L19-F22 PolarHBondContact O-N 3Å; L20-F22 VanDerWaalsContact C-N 3.29Å; L20-F22 PolarHBondContact O-N 3.17Å; F22-D25 PolarHBondContact O-N 2.97Å
23Y71.3Confident80.7Confident67 Ų6768.7 Ų68.726%0.26337%0.368SS..Hα-helixtrans-66.2-42.2-177.2-178-99.2000112.6L19 L20 F98 E102L19-Y23 VanDerWaalsContact O-CB 3.24Å; L19-Y23 WeakPolarHBondContact O-CB 3.49Å; L19-Y23 PolarHBondContact O-N 3.43Å; L20-Y23 PolarHBondContact O-N 3.46Å; Y23-F98 HydrophobicContact CD1-CD1 4.46Å; Y23-F98 HydrophobicContact CD1-CD2 4.25Å; Y23-F98 HydrophobicContact CD1-CE1 4.38Å; Y23-F98 HydrophobicContact CD1-CE2 4.17Å; Y23-F98 HydrophobicContact CD1-CG 4.41Å; Y23-F98 HydrophobicContact CD1-CZ 4.25Å; Y23-F98 AromaticContact CD2-CD2 3.71Å; Y23-F98 HydrophobicContact CD2-CD2 3.71Å; Y23-F98 HydrophobicContact CD2-CE2 4.01Å; Y23-F98 HydrophobicContact CD2-CG 4.32Å; Y23-F98 HydrophobicContact CE1-CD1 4.25Å; Y23-F98 HydrophobicContact CE1-CD2 4.4Å; Y23-F98 HydrophobicContact CE1-CG 4.17Å; Y23-F98 HydrophobicContact CE2-CB 4.05Å; Y23-F98 AromaticContact CE2-CD2 3.87Å; Y23-F98 HydrophobicContact CE2-CD2 3.87Å; Y23-F98 HydrophobicContact CE2-CG 4.07Å; Y23-F98 AromaticContact CG-CD2 3.92Å; Y23-F98 HydrophobicContact CG-CD2 3.92Å; Y23-F98 AromaticContact CG-CE2 3.8Å; Y23-F98 HydrophobicContact CG-CE2 3.8Å; Y23-F98 HydrophobicContact CG-CG 4.49Å; Y23-F98 HydrophobicContact CG-CZ 4.28Å; Y23-F98 AromaticContact CZ-CG 4Å; Y23-E102 VanDerWaalsContact CE2-OE1 3.31Å; Y23-E102 WeakPolarHBondContact CE2-OE1 3.27Å; Y23-E102 VanDerWaalsContact OH-CG 3.26Å; Y23-E102 WeakPolarHBondContact OH-CG 3.46Å; Y23-E102 PolarHBondContact OH-OE1 2.79Å
24L72.6Confident80.4Confident80 Ų8069.8 Ų69.842%0.41937%0.374SS..Hα-helixtrans-88.8-5.1-179.4-63.4175.4000113.1L20 T26 M28L20-L24 HydrophobicContact CD2-CD1 4.26Å; L20-L24 WeakPolarHBondContact O-CB 3.5Å; L20-L24 PolarHBondContact O-N 3.13Å; L24-T26 PolarHBondContact O-N 3.25Å; L24-T26 PolarHBondContact O-OG1 3.28Å; L24-M28 HydrophobicContact CD1-CE 4Å; L24-M28 HydrophobicContact CD1-CG 3.8Å; L24-M28 HydrophobicContact CD1-SD 3.65Å
25D73.5Confident79.9Confident147 Ų14770.5 Ų70.579%0.78637%0.374SS*.THydrogen-bonded Turntrans49.842-173.5-165.732.3000111.9D21 F22D21-D25 VanDerWaalsContact O-CA 3.31Å; D21-D25 WeakPolarHBondContact O-CA 3.37Å; D21-D25 PolarHBondContact O-N 3.4Å; F22-D25 PolarHBondContact O-N 2.97Å
26T72.6Confident79.6Confident85 Ų8571.9 Ų71.952%0.52137%0.374SS..SBendtrans-157.7138.3-175-66.90000110.5D21 L24 M28D21-T26 VanDerWaalsContact CA-O 3.3Å; D21-T26 WeakPolarHBondContact CA-O 3.38Å; D21-T26 PolarHBondContact O-N 3.13Å; D21-T26 VanDerWaalsContact O-N 3.14Å; L24-T26 PolarHBondContact O-N 3.25Å; L24-T26 PolarHBondContact O-OG1 3.28Å; T26-M28 PolarHBondContact O-N 3.25Å; T26-M28 VanDerWaalsContact O-N 3.17Å
27D81.5Confident79.5Confident128 Ų12872.1 Ų72.168%0.68438%0.375SS*.  trans-70.8106.7173.9-17417.9000110.7K17K17-D27 IonicContact NZ-OD1 2.69Å; K17-D27 PolarHBondContact NZ-OD1 3.46Å
28M74.2Confident79.2Confident26 Ų2674.7 Ų74.713%0.12839%0.391CS..  trans-81138.3-173.7-77.4-71.5-71.400112K17 D21 L24 T26 K30 L32 C33K17-M28 WeakPolarHBondContact CE-O 3.35Å; D21-M28 WeakPolarHBondContact OD1-CB 3.45Å; D21-M28 PolarHBondContact OD1-N 3.47Å; L24-M28 HydrophobicContact CD1-CE 4Å; L24-M28 HydrophobicContact CD1-CG 3.8Å; L24-M28 HydrophobicContact CD1-SD 3.65Å; T26-M28 PolarHBondContact O-N 3.25Å; T26-M28 VanDerWaalsContact O-N 3.17Å; M28-K30 PolarHBondContact O-N 2.85Å; M28-L32 HydrophobicContact CE-CD2 3.42Å; M28-L32 VanDerWaalsContact CE-CD2 3.42Å; M28-L32 HydrophobicContact CE-CG 3.91Å; M28-C33 WeakPolarHBondContact CB-SG 3.23Å
29P82.9Confident78.8Confident82 Ų8276.2 Ų76.253%0.53240%0.395SS..  trans-56.4128.8176.9-24.733.5000111.9D31 L32 C33P29-D31 PolarHBondContact O-N 2.98Å; P29-D31 VanDerWaalsContact O-N 3.13Å; P29-L32 HydrophobicContact CB-CB 4.41Å; P29-L32 PolarHBondContact O-N 2.83Å; P29-C33 PolarHBondContact O-N 3.39Å
30K85.7Confident78.4Confident123 Ų12376.4 Ų76.454%0.53540%0.395SS..Hα-helixtrans-51.4-41.7-175.2-170179.2176.2177.30112.8F13 M28 L32 C33 L34F13-K30 HydrophobicContact CE1-CG 4.16Å; F13-K30 HydrophobicContact CZ-CG 3.86Å; M28-K30 PolarHBondContact O-N 2.85Å; K30-L32 PolarHBondContact O-N 2.91Å; K30-C33 WeakPolarHBondContact O-CB 3.32Å; K30-C33 PolarHBondContact O-N 3.14Å; K30-L34 WeakPolarHBondContact O-CB 3.49Å; K30-L34 PolarHBondContact O-N 3.11Å
31D81.5Confident78.4Confident136 Ų13676.9 Ų76.973%0.72740%0.4SS*.Hα-helixtrans-64.3-39.2-179.6-62.3-26.1000112.6P29 L34 H35P29-D31 PolarHBondContact O-N 2.98Å; P29-D31 VanDerWaalsContact O-N 3.13Å; D31-L34 PolarHBondContact O-N 3.44Å; D31-H35 WeakPolarHBondContact O-CB 3.36Å; D31-H35 PolarHBondContact O-N 3.16Å
32L78.3Confident78.3Confident81 Ų8181.1 Ų81.142%0.42442%0.416SS..Hα-helixtrans-71.6-42.4177-178.557.7000110.7M28 P29 K30 L34 H35 L36M28-L32 HydrophobicContact CE-CD2 3.42Å; M28-L32 VanDerWaalsContact CE-CD2 3.42Å; M28-L32 HydrophobicContact CE-CG 3.91Å; P29-L32 HydrophobicContact CB-CB 4.41Å; P29-L32 PolarHBondContact O-N 2.83Å; K30-L32 PolarHBondContact O-N 2.91Å; L32-L34 VanDerWaalsContact C-N 3.29Å; L32-L34 PolarHBondContact O-N 2.96Å; L32-H35 PolarHBondContact O-N 3.28Å; L32-L36 HydrophobicContact CD1-CG 4.48Å; L32-L36 HydrophobicContact CG-CD1 4.35Å; L32-L36 WeakPolarHBondContact O-CG 3.39Å; L32-L36 PolarHBondContact O-N 3.17Å
33C83.9Confident77.9Confident0 Ų080.1 Ų80.10%041%0.414CS..Hα-helixtrans-57.4-43.9171.8-71.50000111.6F13 F16 K17 M28 P29 K30 L36 F37F13-C33 HydrophobicContact CE2-CB 3.95Å; F13-C33 HydrophobicContact CZ-CB 4.1Å; F16-C33 WeakPolarHBondContact CE1-O 3.43Å; K17-C33 HydrophobicContact CG-CB 4.46Å; M28-C33 WeakPolarHBondContact CB-SG 3.23Å; P29-C33 PolarHBondContact O-N 3.39Å; K30-C33 WeakPolarHBondContact O-CB 3.32Å; K30-C33 PolarHBondContact O-N 3.14Å; C33-L36 PolarHBondContact O-N 3.43Å; C33-F37 VanDerWaalsContact O-CB 3.32Å; C33-F37 WeakPolarHBondContact O-CB 3.4Å; C33-F37 PolarHBondContact O-N 2.9Å
34L82.8Confident77.1Confident50 Ų5081.7 Ų81.726%0.26243%0.426SS..Hα-helixtrans-67.6-41.4-178.6-172.665.8000111F13 K30 D31 L32 L36 F37 N38F13-L34 HydrophobicContact CD2-CD1 3.74Å; F13-L34 VanDerWaalsContact CE2-CA 3.49Å; F13-L34 HydrophobicContact CE2-CB 3.83Å; F13-L34 HydrophobicContact CE2-CD1 3.79Å; F13-L34 HydrophobicContact CE2-CG 4.45Å; F13-L34 HydrophobicContact CG-CD1 4.36Å; F13-L34 HydrophobicContact CZ-CB 4.27Å; F13-L34 HydrophobicContact CZ-CD1 4.41Å; K30-L34 WeakPolarHBondContact O-CB 3.49Å; K30-L34 PolarHBondContact O-N 3.11Å; D31-L34 PolarHBondContact O-N 3.44Å; L32-L34 VanDerWaalsContact C-N 3.29Å; L32-L34 PolarHBondContact O-N 2.96Å; L34-L36 VanDerWaalsContact C-N 3.34Å; L34-L36 PolarHBondContact O-N 3.05Å; L34-F37 PolarHBondContact O-N 3.16Å; L34-N38 WeakPolarHBondContact O-CB 3.39Å; L34-N38 PolarHBondContact O-N 2.92Å; L34-N38 PolarHBondContact O-ND2 2.83Å
35H76.5Confident76Confident131 Ų13182.1 Ų82.161%0.60644%0.441SS*.Hα-helixtrans-58.5-46.2173.2-174.367.8000111.7D31 L32 T39D31-H35 WeakPolarHBondContact O-CB 3.36Å; D31-H35 PolarHBondContact O-N 3.16Å; L32-H35 PolarHBondContact O-N 3.28Å; H35-T39 WeakPolarHBondContact O-CG2 3.44Å
36L80Confident74.3Confident57 Ų5781.4 Ų81.430%0.29844%0.442SS..Hα-helixtrans-66.4-45.6177.1-69.6172.1000111.8F16 L20 L32 C33 L34 N38 T39 F40F16-L36 HydrophobicContact CE1-CB 3.83Å; F16-L36 HydrophobicContact CZ-CB 3.8Å; L20-L36 HydrophobicContact CD1-CD1 4.03Å; L32-L36 HydrophobicContact CD1-CG 4.48Å; L32-L36 HydrophobicContact CG-CD1 4.35Å; L32-L36 WeakPolarHBondContact O-CG 3.39Å; L32-L36 PolarHBondContact O-N 3.17Å; C33-L36 PolarHBondContact O-N 3.43Å; L34-L36 VanDerWaalsContact C-N 3.34Å; L34-L36 PolarHBondContact O-N 3.05Å; L36-N38 VanDerWaalsContact C-N 3.3Å; L36-N38 PolarHBondContact O-N 2.96Å; L36-T39 WeakPolarHBondContact O-CB 3.47Å; L36-T39 PolarHBondContact O-N 2.93Å; L36-T39 PolarHBondContact O-OG1 2.95Å; L36-F40 WeakPolarHBondContact O-CD2 3.46Å
37F83.1Confident72.4Confident6 Ų684.1 Ų84.13%0.02645%0.453CS..Hα-helixtrans-57.3-44.3179.2179.7-110.9000111.5D12 F13 F16 C33 L34 T39 F40 A41 M87 A89D12-F37 VanDerWaalsContact C-CE2 3.49Å; D12-F37 WeakPolarHBondContact O-CE2 3.5Å; F13-F37 HydrophobicContact CB-CD1 4.02Å; F13-F37 HydrophobicContact CB-CE1 3.92Å; F13-F37 HydrophobicContact CB-CG 4.41Å; F13-F37 HydrophobicContact CB-CZ 4.22Å; F13-F37 HydrophobicContact CD2-CB 3.87Å; F13-F37 AromaticContact CD2-CD1 3.93Å; F13-F37 HydrophobicContact CD2-CD1 3.93Å; F13-F37 AromaticContact CD2-CG 3.89Å; F13-F37 HydrophobicContact CD2-CG 3.89Å; F13-F37 HydrophobicContact CE2-CB 4.37Å; F13-F37 HydrophobicContact CG-CD1 4.47Å; F16-F37 HydrophobicContact CB-CD2 3.46Å; F16-F37 VanDerWaalsContact CB-CD2 3.46Å; F16-F37 HydrophobicContact CB-CE2 3.93Å; F16-F37 HydrophobicContact CB-CG 4.41Å; F16-F37 HydrophobicContact CD1-CB 3.59Å; F16-F37 AromaticContact CD1-CD2 3.88Å; F16-F37 HydrophobicContact CD1-CD2 3.88Å; F16-F37 HydrophobicContact CD1-CG 4.18Å; F16-F37 HydrophobicContact CD2-CD2 4.02Å; F16-F37 HydrophobicContact CE1-CB 3.76Å; F16-F37 HydrophobicContact CG-CB 4.15Å; F16-F37 AromaticContact CG-CD2 3.53Å; F16-F37 HydrophobicContact CG-CD2 3.53Å; F16-F37 HydrophobicContact CG-CE2 4.41Å; F16-F37 HydrophobicContact CG-CG 4.29Å; F16-F37 HydrophobicContact CZ-CB 4.48Å; C33-F37 VanDerWaalsContact O-CB 3.32Å; C33-F37 WeakPolarHBondContact O-CB 3.4Å; C33-F37 PolarHBondContact O-N 2.9Å; L34-F37 PolarHBondContact O-N 3.16Å; F37-T39 PolarHBondContact O-N 3.38Å; F37-T39 VanDerWaalsContact O-N 3.09Å; F37-F40 PolarHBondContact O-N 2.96Å; F37-A41 HydrophobicContact CD1-CB 3.95Å; F37-A41 HydrophobicContact CE1-CB 3.64Å; F37-A41 HydrophobicContact CE2-CB 4.44Å; F37-A41 HydrophobicContact CG-CB 4.48Å; F37-A41 HydrophobicContact CZ-CB 3.92Å; F37-A41 WeakPolarHBondContact O-CB 3.32Å; F37-A41 PolarHBondContact O-N 3.47Å; F37-M87 HydrophobicContact CE1-CB 4.16Å; F37-A89 HydrophobicContact CD2-CB 4.15Å; F37-A89 HydrophobicContact CE2-CB 3.68Å; F37-A89 HydrophobicContact CZ-CB 4.46Å
38N80Confident70Confident93 Ų9386.9 Ų86.950%0.49746%0.462SS..Hα-helixtrans-62.3-17.2177.6-73.2-25.5000113.7L34 L36 F40L34-N38 WeakPolarHBondContact O-CB 3.39Å; L34-N38 PolarHBondContact O-N 2.92Å; L34-N38 PolarHBondContact O-ND2 2.83Å; L36-N38 VanDerWaalsContact C-N 3.3Å; L36-N38 PolarHBondContact O-N 2.96Å; N38-F40 VanDerWaalsContact C-N 3.33Å
39T76.7Confident67.9Low92 Ų9290.3 Ų90.356%0.56449%0.489SS*.Hα-helixtrans-75.2-23.5171.569.70000113.1H35 L36 F37H35-T39 WeakPolarHBondContact O-CG2 3.44Å; L36-T39 WeakPolarHBondContact O-CB 3.47Å; L36-T39 PolarHBondContact O-N 2.93Å; L36-T39 PolarHBondContact O-OG1 2.95Å; F37-T39 PolarHBondContact O-N 3.38Å; F37-T39 VanDerWaalsContact O-N 3.09Å
40F77Confident65.4Low25 Ų2592.7 Ų92.711%0.1150%0.502CS..Hα-helixtrans-104.7-29-179.9-59.4-81.2000113.2F16 L36 F37 N38 A89 D93 I94 Y97F16-F40 AromaticContact CE2-CD2 3.7Å; F16-F40 HydrophobicContact CE2-CD2 3.7Å; F16-F40 AromaticContact CE2-CE2 3.9Å; F16-F40 HydrophobicContact CE2-CE2 3.9Å; F16-F40 AromaticContact CZ-CD2 3.97Å; F16-F40 HydrophobicContact CZ-CD2 3.97Å; F16-F40 AromaticContact CZ-CE2 3.99Å; F16-F40 HydrophobicContact CZ-CE2 3.99Å; L36-F40 WeakPolarHBondContact O-CD2 3.46Å; F37-F40 PolarHBondContact O-N 2.96Å; N38-F40 VanDerWaalsContact C-N 3.33Å; F40-A89 HydrophobicContact CB-CB 3.62Å; F40-D93 HydrophobicContact CD1-CB 4.3Å; F40-I94 HydrophobicContact CB-CG1 4.11Å; F40-I94 HydrophobicContact CD1-CG1 3.71Å; F40-I94 HydrophobicContact CD2-CG1 4.05Å; F40-I94 HydrophobicContact CE1-CB 4.46Å; F40-I94 HydrophobicContact CE1-CG1 4.07Å; F40-I94 HydrophobicContact CE2-CG1 4.42Å; F40-I94 HydrophobicContact CG-CG1 3.7Å; F40-I94 HydrophobicContact CZ-CG1 4.44Å; F40-Y97 HydrophobicContact CD1-CD2 4.46Å; F40-Y97 AromaticContact CE1-CD2 3.45Å; F40-Y97 HydrophobicContact CE1-CD2 3.45Å; F40-Y97 VanDerWaalsContact CE1-CD2 3.45Å; F40-Y97 AromaticContact CE1-CE2 3.89Å; F40-Y97 HydrophobicContact CE1-CE2 3.89Å; F40-Y97 AromaticContact CE1-CG 3.84Å; F40-Y97 HydrophobicContact CE1-CG 3.84Å; F40-Y97 HydrophobicContact CZ-CD2 4.11Å; F40-Y97 HydrophobicContact CZ-CG 4.02Å
41A80Confident62.7Low18 Ų1891.8 Ų91.815%0.14951%0.511CS..EExtended strand (participates in β ladder)trans-66.8132.6-171.200000112.3F37 M87F37-A41 HydrophobicContact CD1-CB 3.95Å; F37-A41 HydrophobicContact CE1-CB 3.64Å; F37-A41 HydrophobicContact CE2-CB 4.44Å; F37-A41 HydrophobicContact CG-CB 4.48Å; F37-A41 HydrophobicContact CZ-CB 3.92Å; F37-A41 WeakPolarHBondContact O-CB 3.32Å; F37-A41 PolarHBondContact O-N 3.47Å; A41-M87 HydrophobicContact CB-CB 4.27Å; A41-M87 HydrophobicContact CB-SD 4.19Å
42K74.6Confident60Low124 Ų12495 Ų9554%0.53952%0.522SS..EExtended strand (participates in β ladder)trans-125.9153.9171-65.1177.5-176.9169.60108.7C88K42-C88 PolarHBondContact N-O 2.82Å; K42-C88 PolarHBondContact O-N 3.26Å; K42-C88 VanDerWaalsContact O-N 3.13Å; K42-C88 VanDerWaalsContact O-O 3.08Å
43E68.3Low57.6Low131 Ų13196.3 Ų96.361%0.61254%0.537SS*.EExtended strand (participates in β ladder)trans-72.9131.3173.1-157.8163-173.900109.3A45 M87E43-A45 PolarHBondContact O-N 3.46Å; E43-M87 HydrophobicContact CB-CE 3.54Å; E43-M87 HydrophobicContact CG-CE 3.91Å
44L54.2Low54.8Low101 Ų101100.6 Ų100.653%0.52957%0.573SS.*PPolyproline II helixtrans-66.2118.4172.2-74.9167.3000108.8V46 C88L44-V46 PolarHBondContact O-N 2.81Å; L44-C88 HydrophobicContact CD1-CB 4.22Å; L44-C88 HydrophobicContact CG-CB 4.12Å
45A48.2Very low52.2Low89 Ų89104.8 Ų104.874%0.73660%0.601SS**PPolyproline II helixtrans-67.2119.816600000107.7E43 D47E43-A45 PolarHBondContact O-N 3.46Å; A45-D47 PolarHBondContact O-N 2.98Å; A45-D47 VanDerWaalsContact O-N 3.14Å
46V38.4Very low49.6Very low132 Ų132103 Ų10380%0.861%0.608SS**  trans-62.6115.2172.1-179.30000107.4L44 E48L44-V46 PolarHBondContact O-N 2.81Å; V46-E48 PolarHBondContact O-N 3.4Å
47D32.6Very low47Very low141 Ų141105.2 Ų105.275%0.75463%0.629SS**  trans-62.997.2172.5-90.5-31.2000109.4A45 S49A45-D47 PolarHBondContact O-N 2.98Å; A45-D47 VanDerWaalsContact O-N 3.14Å; D47-S49 PolarHBondContact O-N 3.13Å
48E31.7Very low44.3Very low186 Ų186110.1 Ų110.187%0.86966%0.66SS**THydrogen-bonded Turntrans-70.967.1164.8-75.1-171.6159.200109.9V46V46-E48 PolarHBondContact O-N 3.4Å
49S30.6Very low41.8Very low99 Ų99114.4 Ų114.469%0.69267%0.674SS**THydrogen-bonded Turntrans-1246.3168.666.20000114.2D47D47-S49 PolarHBondContact O-N 3.13Å
50T29.7Very low39.1Very low132 Ų132118 Ų11881%0.8169%0.689SS**SBendtrans-133.763.1170.8240000112.2
51S28.3Very low36.7Very low104 Ų104128.4 Ų128.473%0.72773%0.727SS**  trans-172.758.4155.540.60000112.2S53S51-S53 VanDerWaalsContact C-N 3.34Å; S51-S53 PolarHBondContact O-N 3.33Å
52Q25.9Very low34Very low203 Ų203136.8 Ų136.895%0.94976%0.76SS**  trans-8482.2159-72.5-173.612.800109.4
53S26.4Very low31.4Very low108 Ų108141.9 Ų141.976%0.75578%0.778SS**  trans-138.6113.915375.80000111.1S51S51-S53 VanDerWaalsContact C-N 3.34Å; S51-S53 PolarHBondContact O-N 3.33Å
54A26.6Very low29.2Very low90 Ų90145 Ų14574%0.74479%0.789SS**SBendtrans78129.2154.100000120.1
55T26.9Very low27.7Very low138 Ų138144.5 Ų144.585%0.84779%0.794SS**  trans84.884.2152.235.20000119.3
56A22.5Very low26.4Very low93 Ų93148.2 Ų148.277%0.76980%0.796SS**  trans-20.8128135.700000114.9
57S26.3Very low25.7Very low105 Ų105147.5 Ų147.573%0.73479%0.788SS**  -178.4126.7125.4-85.90000113.6
58T25.6Very low25.4Very low109 Ų109147.6 Ų147.667%0.66978%0.784SS**  trans75.9121.4139.342.30000122.8
59K26.6Very low25Very low183 Ų183146.3 Ų146.380%0.79678%0.778SS**  90.584.5125.7-72.4170.9-175.5176.20118.4R61K59-R61 PolarHBondContact O-N 2.96Å
60L21.2Very low24.6Very low168 Ų168147.4 Ų147.488%0.8878%0.781SS**  -6.1109.6121.3-147.880.8000114.6
61R26.3Very low24.5Very low243 Ų243147.4 Ų147.492%0.91778%0.781SS**  trans-124.8124.6160.5-102.4-176.2170.8-176.3-2.2110.5K59K59-R61 PolarHBondContact O-N 2.96Å
62K23.4Very low24.2Very low194 Ų194151.1 Ų151.184%0.84379%0.787SS**  trans-66.9138.8-176.9-77.1169.4168.9171.40112
63Y19.4Very low24.4Very low231 Ų231149.2 Ų149.291%0.90678%0.783SS**  trans-55.2129156.9-102.2-112.9000111.4
64K23.3Very low24.4Very low196 Ų196153.5 Ų153.585%0.85279%0.791SS**  trans-141.8113.8153.8-100.5-169.5176.1-173.60110.1
65S21.4Very low24.6Very low90 Ų90154.2 Ų154.263%0.62979%0.79SS**  trans-1.9150.3141.657.90000120.8
66Q22.1Very low24.8Very low167 Ų167151.5 Ų151.578%0.7878%0.782SS**  trans105.5121.1142.3-86.9173.4-33.200118.7
67D23.9Very low25.1Very low118 Ų118152 Ų15263%0.63178%0.779SS**  112120126.7-86.111.7000120.4
68Q25.7Very low25Very low143 Ų143155 Ų15567%0.66878%0.783SS**  trans86.7114.2133-68.9174.73600120.8
69Q23.2Very low25.4Very low158 Ų158158.5 Ų158.574%0.73879%0.789SS**  71124.6125.4-72.1179.9-2.700121.1
70T22.6Very low25.5Very low122 Ų122158.1 Ų158.175%0.74879%0.79SS**  trans60.9126.7139.860.20000116.9
71T26.5Very low26.1Very low132 Ų132154.7 Ų154.781%0.8179%0.786SS**  -163.3163.253.440.30000110.6
72Q23.1Very low26.5Very low183 Ų183150.4 Ų150.486%0.85577%0.774SS**  trans-52.1133.3169.3-66.5165.6-45.600112.2
73D28.8Very low27.4Very low163 Ų163144.8 Ų144.887%0.87276%0.759SS**  trans-151.5130.4144.2-107.4-27.5000111.1S75D73-S75 PolarHBondContact O-N 3.39Å
74H27.8Very low28.8Very low198 Ų198140.8 Ų140.892%0.91775%0.749SS**  trans-72.485.3173.3-85.1-91.9000109.2
75S30Very low30.2Very low105 Ų105137.1 Ų137.173%0.73475%0.748SS**  trans-97.4119.5160.9-171.80000109.1D73D73-S75 PolarHBondContact O-N 3.39Å
76A31Very low32.5Very low81 Ų81134.6 Ų134.667%0.66973%0.73SS**  trans-45.7140.1165.300000109.7M78A76-M78 PolarHBondContact O-N 2.99Å
77C28.8Very low35.2Very low104 Ų104128.3 Ų128.370%0.70370%0.701SS**  trans-60.881.4174.1-169.30000109F79C77-F79 PolarHBondContact O-N 2.88Å; C77-F79 VanDerWaalsContact O-N 3.08Å; C77-F79 VanDerWaalsContact SG-CD2 3.55Å; C77-F79 WeakPolarHBondContact SG-CE2 3.41Å
78M25.2Very low38.1Very low166 Ų166123.8 Ų123.882%0.81868%0.679SS**  trans-70.995.6157.4-66.5-157.490.400104.7A76 E80A76-M78 PolarHBondContact O-N 2.99Å; M78-E80 PolarHBondContact O-N 2.89Å
79F32.9Very low40.6Very low184 Ų184117 Ų11781%0.80765%0.647SS**  trans-54.8103.9153.6-82.4-90.6000105.2C77 A81C77-F79 PolarHBondContact O-N 2.88Å; C77-F79 VanDerWaalsContact O-N 3.08Å; C77-F79 VanDerWaalsContact SG-CD2 3.55Å; C77-F79 WeakPolarHBondContact SG-CE2 3.41Å; F79-A81 PolarHBondContact O-N 3.09Å
80E29Very low43.4Very low174 Ų174114 Ų11481%0.81363%0.629SS**  trans-50.7114.8166.1-77.9178.1153.300106.4M78 K82M78-E80 PolarHBondContact O-N 2.89Å; E80-K82 PolarHBondContact O-N 3.43Å
81A33.6Very low46.1Very low96 Ų96109 Ų10979%0.79360%0.597SS**  trans-62.590172.500000107F79 S83F79-A81 PolarHBondContact O-N 3.09Å; A81-S83 PolarHBondContact O-N 2.98Å
82K35Very low48.3Very low154 Ų154103.9 Ų103.967%0.6756%0.564SS**  trans-53.2134.9167.4-67.9-177176.9-173.60106.9E80 E84E80-K82 PolarHBondContact O-N 3.43Å; K82-E84 PolarHBondContact O-N 3.09Å
83S41.9Very low50.8Low76 Ų7695.7 Ų95.753%0.53153%0.526SS..  trans-44.2116.7-17559.20000110.9A81 S85A81-S83 PolarHBondContact O-N 2.98Å; S83-S85 PolarHBondContact O-N 2.94Å
84E48.7Very low53.1Low147 Ų14788 Ų8869%0.68748%0.484SS*.G310 helixtrans-56.5-19.2-175.1-75.5175.7148.100113.2K82 S86K82-E84 PolarHBondContact O-N 3.09Å; E84-S86 PolarHBondContact O-N 3.21Å
85S53.3Low55.4Low118 Ų11879.1 Ų79.183%0.82544%0.444SS*.G310 helixtrans-83.4-3.9-169.170.10000116.6S83S83-S85 PolarHBondContact O-N 2.94Å
86S68.6Low57.5Low37 Ų3774.5 Ų74.526%0.25941%0.411SS..G310 helixtrans-115.5-4.2-179.967.60000114.8E84E84-S86 PolarHBondContact O-N 3.21Å
87M79.3Confident59.6Low35 Ų3573.5 Ų73.517%0.17239%0.391CS..EExtended strand (participates in β ladder)trans-87126.9-176.8-75.4-83.5130.600110.4F37 A41 E43F37-M87 HydrophobicContact CE1-CB 4.16Å; A41-M87 HydrophobicContact CB-CB 4.27Å; A41-M87 HydrophobicContact CB-SD 4.19Å; E43-M87 HydrophobicContact CB-CE 3.54Å; E43-M87 HydrophobicContact CG-CE 3.91Å
88C84.6Confident61.6Low24 Ų2469.3 Ų69.316%0.16236%0.361CS..EExtended strand (participates in β ladder)trans-137137-176.6-90.10000109.7V10 I11 K42 L44V10-C88 HydrophobicContact CB-CB 3.82Å; V10-C88 HydrophobicContact CG1-CB 4.25Å; V10-C88 HydrophobicContact CG2-CB 4.06Å; I11-C88 WeakPolarHBondContact O-CA 3.5Å; K42-C88 PolarHBondContact N-O 2.82Å; K42-C88 PolarHBondContact O-N 3.26Å; K42-C88 VanDerWaalsContact O-N 3.13Å; K42-C88 VanDerWaalsContact O-O 3.08Å; L44-C88 HydrophobicContact CD1-CB 4.22Å; L44-C88 HydrophobicContact CG-CB 4.12Å
89A79.7Confident63.7Low0 Ų062 Ų620%033%0.326CS..EExtended strand (participates in β ladder)trans-103.5137.5174.300000109.3V10 I11 F37 F40 L91 I94V10-A89 CarbonylContact C-O 3.58Å; V10-A89 VanDerWaalsContact CA-O 3.3Å; V10-A89 WeakPolarHBondContact CA-O 3.36Å; I11-A89 HydrophobicContact CG1-CB 4.3Å; I11-A89 PolarHBondContact N-O 3.22Å; I11-A89 PolarHBondContact O-N 3.37Å; F37-A89 HydrophobicContact CD2-CB 4.15Å; F37-A89 HydrophobicContact CE2-CB 3.68Å; F37-A89 HydrophobicContact CZ-CB 4.46Å; F40-A89 HydrophobicContact CB-CB 3.62Å; A89-L91 PolarHBondContact O-N 2.86Å; A89-I94 HydrophobicContact CB-CD1 3.73Å; A89-I94 HydrophobicContact CB-CG1 4.46Å
90R81.3Confident65.2Low96 Ų9655 Ų5536%0.36230%0.297SS..EExtended strand (participates in β ladder)trans-71126173.1-63-173.7-61.9-177.34.9108.8V10 K92 D93 I94V10-R90 HydrophobicContact CG1-CG 4.28Å; R90-K92 HydrophobicContact CB-CG 4.1Å; R90-K92 PolarHBondContact O-N 2.77Å; R90-D93 HydrophobicContact CB-CB 4.39Å; R90-D93 IonicContact CZ-OD1 3.58Å; R90-D93 IonicContact CZ-OD2 3.41Å; R90-D93 VanDerWaalsContact CZ-OD2 3.31Å; R90-D93 IonicContact NE-OD1 3.86Å; R90-D93 PolarHBondContact NE-OD1 3.35Å; R90-D93 IonicContact NE-OD2 3.72Å; R90-D93 PolarHBondContact NE-OD2 3.35Å; R90-D93 VanDerWaalsContact NH2-CG 3.31Å; R90-D93 IonicContact NH2-OD1 3.66Å; R90-D93 PolarHBondContact NH2-OD1 3.03Å; R90-D93 IonicContact NH2-OD2 3.47Å; R90-D93 PolarHBondContact NH2-OD2 2.91Å; R90-D93 PolarHBondContact O-N 3.31Å; R90-I94 PolarHBondContact O-N 2.95Å
91L78.6Confident67Low15 Ų1552.8 Ų52.88%0.07929%0.29CS..Hα-helixtrans-58.5-36.3-178.8-173.151.7000111.9M6 E9 I11 L19 A89 D93 I94 L95M6-L91 HydrophobicContact CE-CD1 4.39Å; M6-L91 HydrophobicContact CE-CD2 3.14Å; M6-L91 HydrophobicContact CE-CG 3.57Å; M6-L91 HydrophobicContact SD-CB 4.37Å; M6-L91 HydrophobicContact SD-CD2 3.7Å; M6-L91 HydrophobicContact SD-CG 3.63Å; E9-L91 HydrophobicContact CB-CD2 4.45Å; E9-L91 WeakPolarHBondContact O-CB 3.34Å; E9-L91 PolarHBondContact O-N 3.47Å; I11-L91 HydrophobicContact CD1-CD1 4.01Å; I11-L91 HydrophobicContact CG2-CB 4.27Å; I11-L91 HydrophobicContact CG2-CD1 4.11Å; I11-L91 HydrophobicContact CG2-CD2 4.22Å; I11-L91 HydrophobicContact CG2-CG 4.44Å; L19-L91 HydrophobicContact CD2-CD1 3.65Å; A89-L91 PolarHBondContact O-N 2.86Å; L91-D93 VanDerWaalsContact C-N 3.34Å; L91-D93 PolarHBondContact O-N 3.1Å; L91-I94 PolarHBondContact O-N 3.32Å; L91-L95 HydrophobicContact CD1-CG 4.44Å; L91-L95 PolarHBondContact O-N 2.97Å
92K73.4Confident68.5Low26 Ų2652.6 Ų52.611%0.11327%0.273CS..Hα-helixtrans-59.4-3917572.2179.9-175.5171.80114R90 I94 C96 L116 E119R90-K92 HydrophobicContact CB-CG 4.1Å; R90-K92 PolarHBondContact O-N 2.77Å; K92-I94 VanDerWaalsContact C-N 3.31Å; K92-I94 PolarHBondContact O-N 2.84Å; K92-C96 WeakPolarHBondContact O-CB 3.43Å; K92-C96 PolarHBondContact O-N 2.53Å; K92-L116 HydrophobicContact CB-CD1 4.29Å; K92-E119 IonicContact NZ-OE1 2.77Å; K92-E119 PolarHBondContact NZ-OE1 3.12Å
93D74.6Confident69.6Low11 Ų1153 Ų536%0.05928%0.282CS..Hα-helixtrans-65.8-41.3-179.9-64.7-11.2000108.8F40 R90 L91 C96 Y97F40-D93 HydrophobicContact CD1-CB 4.3Å; R90-D93 HydrophobicContact CB-CB 4.39Å; R90-D93 IonicContact CZ-OD1 3.58Å; R90-D93 IonicContact CZ-OD2 3.41Å; R90-D93 VanDerWaalsContact CZ-OD2 3.31Å; R90-D93 IonicContact NE-OD1 3.86Å; R90-D93 PolarHBondContact NE-OD1 3.35Å; R90-D93 IonicContact NE-OD2 3.72Å; R90-D93 PolarHBondContact NE-OD2 3.35Å; R90-D93 VanDerWaalsContact NH2-CG 3.31Å; R90-D93 IonicContact NH2-OD1 3.66Å; R90-D93 PolarHBondContact NH2-OD1 3.03Å; R90-D93 IonicContact NH2-OD2 3.47Å; R90-D93 PolarHBondContact NH2-OD2 2.91Å; R90-D93 PolarHBondContact O-N 3.31Å; L91-D93 VanDerWaalsContact C-N 3.34Å; L91-D93 PolarHBondContact O-N 3.1Å; D93-C96 PolarHBondContact O-N 2.71Å; D93-Y97 WeakPolarHBondContact O-CD2 3.3Å; D93-Y97 PolarHBondContact O-N 3.01Å
94I77.9Confident70.4Confident0 Ų050.5 Ų50.50%027%0.269CS..Hα-helixtrans-67.5-48.4179.3-60.7155.3000111.4I11 F16 L19 F40 A89 R90 L91 K92 C96 Y97 F98I11-I94 HydrophobicContact CD1-CD1 3.33Å; I11-I94 HydrophobicContact CG1-CD1 3.76Å; F16-I94 HydrophobicContact CD2-CD1 3.58Å; F16-I94 HydrophobicContact CD2-CG1 4.12Å; F16-I94 HydrophobicContact CD2-CG2 4.37Å; F16-I94 HydrophobicContact CE2-CD1 3.96Å; F16-I94 HydrophobicContact CE2-CG1 3.97Å; F16-I94 HydrophobicContact CE2-CG2 3.99Å; L19-I94 HydrophobicContact CD2-CG2 3.86Å; F40-I94 HydrophobicContact CB-CG1 4.11Å; F40-I94 HydrophobicContact CD1-CG1 3.71Å; F40-I94 HydrophobicContact CD2-CG1 4.05Å; F40-I94 HydrophobicContact CE1-CB 4.46Å; F40-I94 HydrophobicContact CE1-CG1 4.07Å; F40-I94 HydrophobicContact CE2-CG1 4.42Å; F40-I94 HydrophobicContact CG-CG1 3.7Å; F40-I94 HydrophobicContact CZ-CG1 4.44Å; A89-I94 HydrophobicContact CB-CD1 3.73Å; A89-I94 HydrophobicContact CB-CG1 4.46Å; R90-I94 PolarHBondContact O-N 2.95Å; L91-I94 PolarHBondContact O-N 3.32Å; K92-I94 VanDerWaalsContact C-N 3.31Å; K92-I94 PolarHBondContact O-N 2.84Å; I94-C96 VanDerWaalsContact C-N 3.28Å; I94-C96 PolarHBondContact O-N 2.89Å; I94-Y97 WeakPolarHBondContact O-CB 3.22Å; I94-Y97 PolarHBondContact O-N 3.09Å; I94-F98 HydrophobicContact CG2-CD2 4.48Å; I94-F98 HydrophobicContact CG2-CE1 4.08Å; I94-F98 HydrophobicContact CG2-CE2 3.97Å; I94-F98 HydrophobicContact CG2-CZ 3.73Å; I94-F98 PolarHBondContact O-N 3.43Å
95L76.7Confident71.4Confident12 Ų1245 Ų456%0.06325%0.246CC..Hα-helixtrans-63.8-33.7178.2-72.5-167.2000112.9M1 M6 L91 Y97 F98 S99 L116M1-L95 HydrophobicContact SD-CD2 4.41Å; M6-L95 HydrophobicContact CE-CD1 3.63Å; M6-L95 HydrophobicContact SD-CD1 3.2Å; M6-L95 WeakPolarHBondContact SD-CD1 3.02Å; M6-L95 HydrophobicContact SD-CG 4.26Å; L91-L95 HydrophobicContact CD1-CG 4.44Å; L91-L95 PolarHBondContact O-N 2.97Å; L95-Y97 VanDerWaalsContact C-N 3.31Å; L95-Y97 PolarHBondContact O-N 3.34Å; L95-F98 HydrophobicContact CD2-CD2 4.15Å; L95-F98 PolarHBondContact O-N 3.04Å; L95-S99 PolarHBondContact O-N 2.59Å; L95-L116 HydrophobicContact CB-CD1 4.41Å
96C73.8Confident72.3Confident8 Ų840.7 Ų40.75%0.05422%0.216CC..Hα-helixtrans-59.5-44.3171.9-171.30000110.7K92 D93 I94 S99 L100 L116K92-C96 WeakPolarHBondContact O-CB 3.43Å; K92-C96 PolarHBondContact O-N 2.53Å; D93-C96 PolarHBondContact O-N 2.71Å; I94-C96 VanDerWaalsContact C-N 3.28Å; I94-C96 PolarHBondContact O-N 2.89Å; C96-S99 WeakPolarHBondContact O-CB 3.21Å; C96-S99 PolarHBondContact O-N 3.28Å; C96-L100 WeakPolarHBondContact O-CG 3.48Å; C96-L100 PolarHBondContact O-N 2.88Å; C96-L116 HydrophobicContact CB-CD2 3.7Å
97Y74.2Confident72.8Confident61 Ų6143 Ų4324%0.23922%0.222CC..Hα-helixtrans-66.7-38177-89.4-96.4000112.6F40 D93 I94 L95 S99 L100 L101 S139F40-Y97 HydrophobicContact CD1-CD2 4.46Å; F40-Y97 AromaticContact CE1-CD2 3.45Å; F40-Y97 HydrophobicContact CE1-CD2 3.45Å; F40-Y97 VanDerWaalsContact CE1-CD2 3.45Å; F40-Y97 AromaticContact CE1-CE2 3.89Å; F40-Y97 HydrophobicContact CE1-CE2 3.89Å; F40-Y97 AromaticContact CE1-CG 3.84Å; F40-Y97 HydrophobicContact CE1-CG 3.84Å; F40-Y97 HydrophobicContact CZ-CD2 4.11Å; F40-Y97 HydrophobicContact CZ-CG 4.02Å; D93-Y97 WeakPolarHBondContact O-CD2 3.3Å; D93-Y97 PolarHBondContact O-N 3.01Å; I94-Y97 WeakPolarHBondContact O-CB 3.22Å; I94-Y97 PolarHBondContact O-N 3.09Å; L95-Y97 VanDerWaalsContact C-N 3.31Å; L95-Y97 PolarHBondContact O-N 3.34Å; Y97-S99 VanDerWaalsContact C-N 3.32Å; Y97-S99 PolarHBondContact O-N 3.27Å; Y97-L100 HydrophobicContact CD1-CD1 4.27Å; Y97-L100 WeakPolarHBondContact O-CB 3.39Å; Y97-L100 PolarHBondContact O-N 3.41Å; Y97-L100 VanDerWaalsContact O-N 3.13Å; Y97-L101 PolarHBondContact O-N 2.82Å; Y97-S139 PolarHBondContact OH-OG 3.45Å
98F71.6Confident72.8Confident15 Ų1546.8 Ų46.87%0.06624%0.239CC..Hα-helixtrans-62.4-39174-68.7-7.5000112.1L19 L20 Y23 I94 L95 L100 L101 E102L19-F98 HydrophobicContact CD2-CE2 4.06Å; L19-F98 HydrophobicContact CG-CE2 4.04Å; L20-F98 HydrophobicContact CD2-CE1 3.91Å; L20-F98 HydrophobicContact CD2-CZ 3.62Å; L20-F98 HydrophobicContact CG-CZ 4.34Å; Y23-F98 HydrophobicContact CD1-CD1 4.46Å; Y23-F98 HydrophobicContact CD1-CD2 4.25Å; Y23-F98 HydrophobicContact CD1-CE1 4.38Å; Y23-F98 HydrophobicContact CD1-CE2 4.17Å; Y23-F98 HydrophobicContact CD1-CG 4.41Å; Y23-F98 HydrophobicContact CD1-CZ 4.25Å; Y23-F98 AromaticContact CD2-CD2 3.71Å; Y23-F98 HydrophobicContact CD2-CD2 3.71Å; Y23-F98 HydrophobicContact CD2-CE2 4.01Å; Y23-F98 HydrophobicContact CD2-CG 4.32Å; Y23-F98 HydrophobicContact CE1-CD1 4.25Å; Y23-F98 HydrophobicContact CE1-CD2 4.4Å; Y23-F98 HydrophobicContact CE1-CG 4.17Å; Y23-F98 HydrophobicContact CE2-CB 4.05Å; Y23-F98 AromaticContact CE2-CD2 3.87Å; Y23-F98 HydrophobicContact CE2-CD2 3.87Å; Y23-F98 HydrophobicContact CE2-CG 4.07Å; Y23-F98 AromaticContact CG-CD2 3.92Å; Y23-F98 HydrophobicContact CG-CD2 3.92Å; Y23-F98 AromaticContact CG-CE2 3.8Å; Y23-F98 HydrophobicContact CG-CE2 3.8Å; Y23-F98 HydrophobicContact CG-CG 4.49Å; Y23-F98 HydrophobicContact CG-CZ 4.28Å; Y23-F98 AromaticContact CZ-CG 4Å; I94-F98 HydrophobicContact CG2-CD2 4.48Å; I94-F98 HydrophobicContact CG2-CE1 4.08Å; I94-F98 HydrophobicContact CG2-CE2 3.97Å; I94-F98 HydrophobicContact CG2-CZ 3.73Å; I94-F98 PolarHBondContact O-N 3.43Å; L95-F98 HydrophobicContact CD2-CD2 4.15Å; L95-F98 PolarHBondContact O-N 3.04Å; F98-L100 PolarHBondContact O-N 3.27Å; F98-L101 HydrophobicContact CD1-CD1 4.35Å; F98-L101 WeakPolarHBondContact O-CA 3.39Å; F98-L101 WeakPolarHBondContact O-CB 3.37Å; F98-L101 PolarHBondContact O-N 3.18Å; F98-E102 PolarHBondContact O-N 3.14Å
99S68.3Low72.6Confident12 Ų1246.2 Ų46.28%0.08423%0.234CC..Hα-helixtrans-60.8-30.5173.5-173.10000113.7L95 C96 Y97 L101 K109 Y112L95-S99 PolarHBondContact O-N 2.59Å; C96-S99 WeakPolarHBondContact O-CB 3.21Å; C96-S99 PolarHBondContact O-N 3.28Å; Y97-S99 VanDerWaalsContact C-N 3.32Å; Y97-S99 PolarHBondContact O-N 3.27Å; S99-L101 VanDerWaalsContact C-N 3.3Å; S99-K109 PolarHBondContact O-NZ 3.42Å; S99-Y112 WeakPolarHBondContact OG-CD1 3.24Å; S99-Y112 WeakPolarHBondContact OG-CE1 3.46Å
100L65.3Low73Confident38 Ų3846.2 Ų46.220%0.19923%0.234CC..Hα-helixtrans-67.4-32.1172.2-58.8177.2000112.2C96 Y97 F98 V140 L188 L189C96-L100 WeakPolarHBondContact O-CG 3.48Å; C96-L100 PolarHBondContact O-N 2.88Å; Y97-L100 HydrophobicContact CD1-CD1 4.27Å; Y97-L100 WeakPolarHBondContact O-CB 3.39Å; Y97-L100 PolarHBondContact O-N 3.41Å; Y97-L100 VanDerWaalsContact O-N 3.13Å; F98-L100 PolarHBondContact O-N 3.27Å; L100-V140 HydrophobicContact CD1-CG1 4.4Å; L100-V140 HydrophobicContact CD1-CG2 3.76Å; L100-L188 WeakPolarHBondContact CD2-O 3.28Å; L100-L189 WeakPolarHBondContact CD2-O 3.25Å
101L65.6Low73.3Confident128 Ų12845.2 Ų45.267%0.6723%0.234SC*.Hα-helixtrans-80.9-27.5180-60175.6000112.6Y97 F98 S99Y97-L101 PolarHBondContact O-N 2.82Å; F98-L101 HydrophobicContact CD1-CD1 4.35Å; F98-L101 WeakPolarHBondContact O-CA 3.39Å; F98-L101 WeakPolarHBondContact O-CB 3.37Å; F98-L101 PolarHBondContact O-N 3.18Å; S99-L101 VanDerWaalsContact C-N 3.3Å
102E65.9Low73.6Confident92 Ų9248.5 Ų48.543%0.4325%0.245SC..SBendtrans-76149179.7-70.5-179.4-17900112.8Y23 F98 K109Y23-E102 VanDerWaalsContact CE2-OE1 3.31Å; Y23-E102 WeakPolarHBondContact CE2-OE1 3.27Å; Y23-E102 VanDerWaalsContact OH-CG 3.26Å; Y23-E102 WeakPolarHBondContact OH-CG 3.46Å; Y23-E102 PolarHBondContact OH-OE1 2.79Å; F98-E102 PolarHBondContact O-N 3.14Å; E102-K109 WeakPolarHBondContact O-CE 3.29Å; E102-K109 PolarHBondContact O-NZ 2.87Å
103N57.7Low74.2Confident161 Ų16147.4 Ų47.486%0.86124%0.241SC*.  trans-81.8136.6167.8-76.6-33.7000109.6
104G59.9Low75Confident25 Ų2547 Ų4726%0.25824%0.239SC..  trans-163.1157.9175.200000110.7
105S68.2Low75.4Confident30 Ų3052 Ų5221%0.2126%0.262CS..  trans-63154.8170.275.90000110.2E107 E108 K109S105-E107 PolarHBondContact O-N 2.84Å; S105-E108 PolarHBondContact N-OE2 3.44Å; S105-E108 PolarHBondContact O-N 3.09Å; S105-E108 WeakPolarHBondContact OG-CB 3.31Å; S105-E108 WeakPolarHBondContact OG-CG 3.34Å; S105-E108 PolarHBondContact OG-N 3.22Å; S105-E108 PolarHBondContact OG-OE2 3.48Å; S105-K109 WeakPolarHBondContact O-CG 3.33Å; S105-K109 PolarHBondContact O-N 3Å
106P72.3Confident75.7Confident29 Ų2952.6 Ų52.619%0.18827%0.265CS..Hα-helixtrans-52.8-39.1174.6-26.635000113L110 L180 L186 I191P106-L110 WeakPolarHBondContact O-CB 3.4Å; P106-L110 WeakPolarHBondContact O-CD1 3.3Å; P106-L110 WeakPolarHBondContact O-CG 3.36Å; P106-L110 PolarHBondContact O-N 3.5Å; P106-L180 HydrophobicContact CB-CD2 3.49Å; P106-L180 VanDerWaalsContact CB-CD2 3.49Å; P106-L186 HydrophobicContact CB-CD2 4.3Å; P106-I191 HydrophobicContact CB-CD1 4.21Å; P106-I191 HydrophobicContact CB-CG2 4.18Å; P106-I191 HydrophobicContact CG-CG2 3.86Å
107E79.8Confident76.3Confident85 Ų8552.6 Ų52.640%0.39726%0.264SS..Hα-helixtrans-65.2-48.3177.8-66.976.1-17200112.3S105 K109 L110 E111 L180S105-E107 PolarHBondContact O-N 2.84Å; E107-K109 VanDerWaalsContact C-N 3.33Å; E107-K109 PolarHBondContact O-N 2.85Å; E107-L110 PolarHBondContact O-N 2.8Å; E107-E111 VanDerWaalsContact O-CB 3.31Å; E107-E111 WeakPolarHBondContact O-CB 3.4Å; E107-E111 PolarHBondContact O-N 3.03Å; E107-L180 HydrophobicContact CG-CD1 4.05Å; E107-L180 HydrophobicContact CG-CD2 4.14Å; E107-L180 WeakPolarHBondContact OE1-CD1 3.31Å; E107-L180 VanDerWaalsContact OE1-CD2 3.31Å; E107-L180 WeakPolarHBondContact OE1-CD2 3.48Å
108E79.6Confident77Confident114 Ų11450.2 Ų50.253%0.53326%0.255SS..Hα-helixtrans-61.1-42.1178.2-74.7163.7172.700111.4S105 E111 Y112S105-E108 PolarHBondContact N-OE2 3.44Å; S105-E108 PolarHBondContact O-N 3.09Å; S105-E108 WeakPolarHBondContact OG-CB 3.31Å; S105-E108 WeakPolarHBondContact OG-CG 3.34Å; S105-E108 PolarHBondContact OG-N 3.22Å; S105-E108 PolarHBondContact OG-OE2 3.48Å; E108-E111 PolarHBondContact O-N 2.88Å; E108-Y112 VanDerWaalsContact O-CB 3.26Å; E108-Y112 WeakPolarHBondContact O-CB 3.49Å; E108-Y112 PolarHBondContact O-N 2.9Å
109K80.9Confident77.3Confident12 Ų1253.6 Ų53.65%0.05227%0.272CS..Hα-helixtrans-68.7-39178.2-68.9-144.9-172.8-1640112.2S99 E102 S105 E107 T113 I191S99-K109 PolarHBondContact O-NZ 3.42Å; E102-K109 WeakPolarHBondContact O-CE 3.29Å; E102-K109 PolarHBondContact O-NZ 2.87Å; S105-K109 WeakPolarHBondContact O-CG 3.33Å; S105-K109 PolarHBondContact O-N 3Å; E107-K109 VanDerWaalsContact C-N 3.33Å; E107-K109 PolarHBondContact O-N 2.85Å; K109-T113 WeakPolarHBondContact O-CB 3.22Å; K109-T113 PolarHBondContact O-N 3.35Å; K109-T113 PolarHBondContact O-OG1 3.13Å; K109-I191 HydrophobicContact CB-CD1 3.87Å; K109-I191 HydrophobicContact CB-CG1 4.09Å; K109-I191 HydrophobicContact CD-CD1 4.41Å; K109-I191 HydrophobicContact CD-CG1 3.69Å; K109-I191 HydrophobicContact CG-CG1 4.22Å
110L87.3Confident78.1Confident0 Ų057.5 Ų57.50%029%0.292CS..Hα-helixtrans-64.9-45.9174.7-76.4165.9000111P106 E107 T113 F114 W175 K176 L180 L185 L186 L189P106-L110 WeakPolarHBondContact O-CB 3.4Å; P106-L110 WeakPolarHBondContact O-CD1 3.3Å; P106-L110 WeakPolarHBondContact O-CG 3.36Å; P106-L110 PolarHBondContact O-N 3.5Å; E107-L110 PolarHBondContact O-N 2.8Å; L110-T113 PolarHBondContact O-N 2.65Å; L110-F114 WeakPolarHBondContact O-CB 3.15Å; L110-F114 PolarHBondContact O-N 2.8Å; L110-W175 HydrophobicContact CD2-CZ2 4.26Å; L110-W175 VanDerWaalsContact O-CD1 3.25Å; L110-W175 PolarHBondContact O-NE1 3.25Å; L110-K176 HydrophobicContact CB-CG 4.32Å; L110-L180 HydrophobicContact CD1-CD2 3.92Å; L110-L180 HydrophobicContact CD1-CG 3.8Å; L110-L185 HydrophobicContact CD2-CD2 4.27Å; L110-L185 HydrophobicContact CD2-CG 4.49Å; L110-L186 HydrophobicContact CD1-CD2 4.15Å; L110-L189 HydrophobicContact CD2-CD1 3.54Å; L110-L189 HydrophobicContact CG-CD1 4.31Å
111E88.5Confident79Confident75 Ų7560 Ų6035%0.3531%0.312SS..Hα-helixtrans-62.4-44176.7-177.3163.6-136.300112E107 E108 T113 F114 H115 L172 K176E107-E111 VanDerWaalsContact O-CB 3.31Å; E107-E111 WeakPolarHBondContact O-CB 3.4Å; E107-E111 PolarHBondContact O-N 3.03Å; E108-E111 PolarHBondContact O-N 2.88Å; E111-T113 VanDerWaalsContact C-N 3.35Å; E111-T113 PolarHBondContact O-N 3.21Å; E111-F114 WeakPolarHBondContact O-CB 3.41Å; E111-F114 PolarHBondContact O-N 3.01Å; E111-H115 PolarHBondContact O-CD2 3.28Å; E111-H115 PolarHBondContact O-N 3.48Å; E111-L172 HydrophobicContact CB-CD1 4.38Å; E111-L172 HydrophobicContact CG-CD1 4.16Å; E111-K176 HydrophobicContact CB-CD 4.35Å
112Y84.7Confident80.2Confident84 Ų8457.5 Ų57.533%0.32930%0.3SS..Hα-helixtrans-59.5-46173.2179.8-91.8000111.8S99 E108 F114 H115 L116S99-Y112 WeakPolarHBondContact OG-CD1 3.24Å; S99-Y112 WeakPolarHBondContact OG-CE1 3.46Å; E108-Y112 VanDerWaalsContact O-CB 3.26Å; E108-Y112 WeakPolarHBondContact O-CB 3.49Å; E108-Y112 PolarHBondContact O-N 2.9Å; Y112-F114 VanDerWaalsContact C-N 3.32Å; Y112-F114 PolarHBondContact O-N 2.89Å; Y112-H115 PolarHBondContact O-N 2.97Å; Y112-L116 HydrophobicContact CE1-CD2 4.09Å; Y112-L116 VanDerWaalsContact O-CB 3.32Å; Y112-L116 WeakPolarHBondContact O-CB 3.36Å; Y112-L116 PolarHBondContact O-N 2.9Å
113T85.9Confident81.4Confident4 Ų454.6 Ų54.63%0.02529%0.294CS..Hα-helixtrans-62.5-41.3177.6-55.60000111K109 L110 E111 L116 Y117 W175 L189K109-T113 WeakPolarHBondContact O-CB 3.22Å; K109-T113 PolarHBondContact O-N 3.35Å; K109-T113 PolarHBondContact O-OG1 3.13Å; L110-T113 PolarHBondContact O-N 2.65Å; E111-T113 VanDerWaalsContact C-N 3.35Å; E111-T113 PolarHBondContact O-N 3.21Å; T113-L116 WeakPolarHBondContact O-CB 3.33Å; T113-L116 PolarHBondContact O-N 3.28Å; T113-Y117 HydrophobicContact CG2-CD2 3.98Å; T113-Y117 HydrophobicContact CG2-CE2 4.17Å; T113-Y117 WeakPolarHBondContact O-CD2 3.29Å; T113-Y117 PolarHBondContact O-N 2.93Å; T113-W175 HydrophobicContact CG2-CZ2 3.94Å; T113-L189 HydrophobicContact CG2-CD2 3.83Å; T113-L189 WeakPolarHBondContact OG1-CD2 3.43Å
114F90.1Very high83.2Confident1 Ų151.9 Ų51.90%0.00427%0.272CS..Hα-helixtrans-56.4-55.9176.7-174.1-87.6000110.9L110 E111 Y112 L116 Y117 D118 G123 L125 V170 S171 L172 W175L110-F114 WeakPolarHBondContact O-CB 3.15Å; L110-F114 PolarHBondContact O-N 2.8Å; E111-F114 WeakPolarHBondContact O-CB 3.41Å; E111-F114 PolarHBondContact O-N 3.01Å; Y112-F114 VanDerWaalsContact C-N 3.32Å; Y112-F114 PolarHBondContact O-N 2.89Å; F114-L116 PolarHBondContact O-N 3.48Å; F114-Y117 PolarHBondContact O-N 3.38Å; F114-Y117 VanDerWaalsContact O-N 3.07Å; F114-D118 HydrophobicContact CD1-CB 4.45Å; F114-D118 HydrophobicContact CE1-CB 4.18Å; F114-D118 WeakPolarHBondContact O-CB 3.43Å; F114-D118 PolarHBondContact O-N 2.89Å; F114-G123 VanDerWaalsContact CZ-O 3.29Å; F114-G123 WeakPolarHBondContact CZ-O 3.42Å; F114-L125 HydrophobicContact CD2-CD1 3.49Å; F114-L125 VanDerWaalsContact CD2-CD1 3.49Å; F114-L125 HydrophobicContact CD2-CD2 4.49Å; F114-L125 HydrophobicContact CD2-CG 3.77Å; F114-L125 HydrophobicContact CE2-CB 4.49Å; F114-L125 HydrophobicContact CE2-CD1 3.69Å; F114-L125 HydrophobicContact CE2-CD2 4.47Å; F114-L125 HydrophobicContact CE2-CG 3.53Å; F114-L125 HydrophobicContact CG-CD1 4.42Å; F114-L125 HydrophobicContact CZ-CG 4.15Å; F114-V170 WeakPolarHBondContact CE2-O 3.27Å; F114-S171 VanDerWaalsContact CE2-C 3.49Å; F114-L172 HydrophobicContact CB-CD1 3.68Å; F114-L172 HydrophobicContact CD1-CB 4Å; F114-L172 HydrophobicContact CD1-CD1 3.66Å; F114-L172 HydrophobicContact CD1-CG 4.31Å; F114-L172 HydrophobicContact CD2-CB 4.32Å; F114-L172 HydrophobicContact CD2-CD1 4.06Å; F114-L172 HydrophobicContact CE1-CB 3.79Å; F114-L172 HydrophobicContact CE1-CD1 4.35Å; F114-L172 VanDerWaalsContact CE2-CA 3.41Å; F114-L172 HydrophobicContact CE2-CB 4.09Å; F114-L172 VanDerWaalsContact CE2-N 3.31Å; F114-L172 HydrophobicContact CG-CB 4.27Å; F114-L172 HydrophobicContact CG-CD1 3.5Å; F114-L172 HydrophobicContact CG-CG 4.46Å; F114-L172 HydrophobicContact CZ-CB 3.83Å; F114-L172 VanDerWaalsContact CZ-N 3.31Å; F114-W175 HydrophobicContact CB-CG 4.28Å; F114-W175 HydrophobicContact CD2-CB 3.51Å; F114-W175 AromaticContact CD2-CD1 3.77Å; F114-W175 HydrophobicContact CD2-CD2 4.34Å; F114-W175 AromaticContact CD2-CG 3.58Å; F114-W175 HydrophobicContact CD2-CG 3.58Å; F114-W175 HydrophobicContact CE2-CB 3.96Å; F114-W175 HydrophobicContact CE2-CG 4.45Å; F114-W175 HydrophobicContact CG-CG 4.41Å
115H86.8Confident84.8Confident105 Ų10550.7 Ų50.749%0.48626%0.26SS..Hα-helixtrans-65.9-22.3-179.9-67-49.8000113.7E111 Y112 Y117E111-H115 PolarHBondContact O-CD2 3.28Å; E111-H115 PolarHBondContact O-N 3.48Å; Y112-H115 PolarHBondContact O-N 2.97Å; H115-Y117 VanDerWaalsContact C-N 3.35Å
116L83.5Confident85.9Confident26 Ų2651.7 Ų51.714%0.13626%0.263CS..Hα-helixtrans-73.3-27.9175-173.665000112.6K92 L95 C96 Y112 T113 F114K92-L116 HydrophobicContact CB-CD1 4.29Å; L95-L116 HydrophobicContact CB-CD1 4.41Å; C96-L116 HydrophobicContact CB-CD2 3.7Å; Y112-L116 HydrophobicContact CE1-CD2 4.09Å; Y112-L116 VanDerWaalsContact O-CB 3.32Å; Y112-L116 WeakPolarHBondContact O-CB 3.36Å; Y112-L116 PolarHBondContact O-N 2.9Å; T113-L116 WeakPolarHBondContact O-CB 3.33Å; T113-L116 PolarHBondContact O-N 3.28Å; F114-L116 PolarHBondContact O-N 3.48Å
117Y86.7Confident86.8Confident8 Ų854.4 Ų54.43%0.03128%0.283CS..Hα-helixtrans-110.7-13.6-174.5-77.9-87.8000115T113 F114 H115 E119 E129 C132 I133 Q136T113-Y117 HydrophobicContact CG2-CD2 3.98Å; T113-Y117 HydrophobicContact CG2-CE2 4.17Å; T113-Y117 WeakPolarHBondContact O-CD2 3.29Å; T113-Y117 PolarHBondContact O-N 2.93Å; F114-Y117 PolarHBondContact O-N 3.38Å; F114-Y117 VanDerWaalsContact O-N 3.07Å; H115-Y117 VanDerWaalsContact C-N 3.35Å; Y117-E119 VanDerWaalsContact C-N 3.26Å; Y117-E119 PolarHBondContact O-N 3.19Å; Y117-E129 WeakPolarHBondContact O-CB 3.38Å; Y117-E129 VanDerWaalsContact O-CD 3.29Å; Y117-E129 WeakPolarHBondContact O-CG 3.28Å; Y117-C132 HydrophobicContact CD1-CB 3.8Å; Y117-C132 HydrophobicContact CE1-CB 3.76Å; Y117-I133 HydrophobicContact CD1-CG1 3.5Å; Y117-I133 HydrophobicContact CD2-CD1 4.21Å; Y117-I133 HydrophobicContact CD2-CG1 3.54Å; Y117-I133 HydrophobicContact CE1-CG1 3.93Å; Y117-I133 HydrophobicContact CE2-CG1 3.97Å; Y117-I133 HydrophobicContact CG-CD1 3.94Å; Y117-I133 HydrophobicContact CG-CG1 3.29Å; Y117-Q136 WeakPolarHBondContact OH-CB 3.41Å; Y117-Q136 VanDerWaalsContact OH-CG 3.25Å; Y117-Q136 WeakPolarHBondContact OH-CG 3.48Å
118D87.8Confident87.3Confident10 Ų1057.8 Ų57.85%0.05330%0.296CS..  trans-71.779.2166.4177.18.5000109F114 D120 S121 N122 G123 L125F114-D118 HydrophobicContact CD1-CB 4.45Å; F114-D118 HydrophobicContact CE1-CB 4.18Å; F114-D118 WeakPolarHBondContact O-CB 3.43Å; F114-D118 PolarHBondContact O-N 2.89Å; D118-D120 VanDerWaalsContact C-N 3.34Å; D118-D120 PolarHBondContact O-N 3.01Å; D118-S121 PolarHBondContact O-N 3.06Å; D118-S121 WeakPolarHBondContact OD1-CA 3.4Å; D118-S121 PolarHBondContact OD1-N 3.42Å; D118-N122 PolarHBondContact OD1-N 3.03Å; D118-G123 VanDerWaalsContact OD2-CA 3.31Å; D118-G123 WeakPolarHBondContact OD2-CA 3.38Å; D118-G123 PolarHBondContact OD2-N 2.95Å; D118-L125 HydrophobicContact CB-CD2 4.16Å
119E79.1Confident87.9Confident87 Ų8752.8 Ų52.841%0.40727%0.273SS..SBendtrans-67.3-33.6-170.2-72.6-167.1166.100112.1N7 K92 Y117 E129N7-E119 PolarHBondContact ND2-O 3.43Å; N7-E119 PolarHBondContact OD1-O 2.98Å; K92-E119 IonicContact NZ-OE1 2.77Å; K92-E119 PolarHBondContact NZ-OE1 3.12Å; Y117-E119 VanDerWaalsContact C-N 3.26Å; Y117-E119 PolarHBondContact O-N 3.19Å; E119-E129 PolarHBondContact N-OE1 3.44Å
120D84.6Confident88.3Confident94 Ų9453.1 Ų53.150%0.50328%0.275SS..SBendtrans-91.8-4.4178.374.61.7000113.2D118 N122D118-D120 VanDerWaalsContact C-N 3.34Å; D118-D120 PolarHBondContact O-N 3.01Å; D120-N122 PolarHBondContact O-N 2.83Å; D120-N122 WeakPolarHBondContact OD1-CB 3.46Å; D120-N122 PolarHBondContact OD1-N 3.22Å; D120-N122 PolarHBondContact OD1-ND2 3.01Å; D120-N122 PolarHBondContact OD1-OD1 3.1Å; D120-N122 PolarHBondContact OD2-ND2 3.38Å
121S83.5Confident88.5Confident90 Ų9055.9 Ų55.963%0.62929%0.288SS*.  trans56.931.9-179.7-57.40000112.9D118 G123D118-S121 PolarHBondContact O-N 3.06Å; D118-S121 WeakPolarHBondContact OD1-CA 3.4Å; D118-S121 PolarHBondContact OD1-N 3.42Å; S121-G123 PolarHBondContact O-N 2.99Å
122N90.4Very high88.5Confident76 Ų7654.2 Ų54.241%0.40628%0.284SS..SBendtrans-79-9.617873.425.2000112.2D118 D120 Y124D118-N122 PolarHBondContact OD1-N 3.03Å; D120-N122 PolarHBondContact O-N 2.83Å; D120-N122 WeakPolarHBondContact OD1-CB 3.46Å; D120-N122 PolarHBondContact OD1-N 3.22Å; D120-N122 PolarHBondContact OD1-ND2 3.01Å; D120-N122 PolarHBondContact OD1-OD1 3.1Å; D120-N122 PolarHBondContact OD2-ND2 3.38Å; N122-Y124 WeakPolarHBondContact O-CD2 3.48Å; N122-Y124 WeakPolarHBondContact OD1-CA 3.47Å; N122-Y124 VanDerWaalsContact OD1-CB 3.25Å; N122-Y124 WeakPolarHBondContact OD1-CB 3.4Å; N122-Y124 PolarHBondContact OD1-N 2.99Å; N122-Y124 PolarHBondContact OD1-O 3.08Å; N122-Y124 VanDerWaalsContact OD1-O 3.13Å
123G91.9Very high88.5Confident30 Ų3050.4 Ų50.431%0.30927%0.269SS..SBendtrans89.112.6-179.300000114.7F114 D118 S121F114-G123 VanDerWaalsContact CZ-O 3.29Å; F114-G123 WeakPolarHBondContact CZ-O 3.42Å; D118-G123 VanDerWaalsContact OD2-CA 3.31Å; D118-G123 WeakPolarHBondContact OD2-CA 3.38Å; D118-G123 PolarHBondContact OD2-N 2.95Å; S121-G123 PolarHBondContact O-N 2.99Å
124Y94.8Very high88.5Confident104 Ų10450.2 Ų50.241%0.40827%0.268SS..EExtended strand (participates in β ladder)trans-137151.4-179.2-59.4-95.9000110.1N122 T169 V170N122-Y124 WeakPolarHBondContact O-CD2 3.48Å; N122-Y124 WeakPolarHBondContact OD1-CA 3.47Å; N122-Y124 VanDerWaalsContact OD1-CB 3.25Å; N122-Y124 WeakPolarHBondContact OD1-CB 3.4Å; N122-Y124 PolarHBondContact OD1-N 2.99Å; N122-Y124 PolarHBondContact OD1-O 3.08Å; N122-Y124 VanDerWaalsContact OD1-O 3.13Å; Y124-T169 WeakPolarHBondContact CD1-OG1 3.43Å; Y124-V170 CarbonylContact C-O 3.43Å; Y124-V170 WeakPolarHBondContact CA-O 3.39Å
125L93.8Very high88.3Confident1 Ų154.1 Ų54.11%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-101.8117.5169.3-63.2168.4000109.4F114 D118 E129 I130 I133 T169 V170 W175F114-L125 HydrophobicContact CD2-CD1 3.49Å; F114-L125 VanDerWaalsContact CD2-CD1 3.49Å; F114-L125 HydrophobicContact CD2-CD2 4.49Å; F114-L125 HydrophobicContact CD2-CG 3.77Å; F114-L125 HydrophobicContact CE2-CB 4.49Å; F114-L125 HydrophobicContact CE2-CD1 3.69Å; F114-L125 HydrophobicContact CE2-CD2 4.47Å; F114-L125 HydrophobicContact CE2-CG 3.53Å; F114-L125 HydrophobicContact CG-CD1 4.42Å; F114-L125 HydrophobicContact CZ-CG 4.15Å; D118-L125 HydrophobicContact CB-CD2 4.16Å; L125-E129 VanDerWaalsContact CA-OE2 3.31Å; L125-E129 WeakPolarHBondContact CA-OE2 3.46Å; L125-E129 HydrophobicContact CB-CB 4.5Å; L125-E129 HydrophobicContact CD2-CB 4.09Å; L125-I130 HydrophobicContact CB-CD1 3.81Å; L125-I130 HydrophobicContact CB-CG1 4.03Å; L125-I130 HydrophobicContact CD1-CD1 4Å; L125-I133 HydrophobicContact CD1-CD1 3.77Å; L125-I133 HydrophobicContact CD2-CD1 4.35Å; L125-T169 WeakPolarHBondContact O-CA 3.49Å; L125-V170 HydrophobicContact CB-CB 4.27Å; L125-V170 PolarHBondContact N-O 3.25Å; L125-V170 PolarHBondContact O-N 3.07Å; L125-W175 HydrophobicContact CD1-CD2 3.9Å; L125-W175 HydrophobicContact CD1-CE3 3.67Å; L125-W175 HydrophobicContact CD1-CG 4.34Å; L125-W175 HydrophobicContact CD1-CZ3 4.16Å
126D93Very high88Confident51 Ų5150 Ų5027%0.27327%0.27SS..  trans-82.2173.2174.785.413.1000112.4K128 E129 I130D126-K128 PolarHBondContact O-N 2.87Å; D126-K128 WeakPolarHBondContact OD1-CA 3.36Å; D126-K128 VanDerWaalsContact OD1-CB 3.3Å; D126-K128 WeakPolarHBondContact OD1-CB 3.27Å; D126-K128 PolarHBondContact OD1-N 2.9Å; D126-E129 PolarHBondContact N-OE2 3.47Å; D126-E129 PolarHBondContact O-N 3.48Å; D126-E129 PolarHBondContact OD1-N 3.16Å; D126-I130 WeakPolarHBondContact O-CB 3.45Å; D126-I130 VanDerWaalsContact O-CG1 3.26Å; D126-I130 WeakPolarHBondContact O-CG1 3.23Å; D126-I130 PolarHBondContact O-N 2.95Å
127S90.8Very high87.9Confident86 Ų8649 Ų4960%0.60127%0.265SS*.Hα-helixtrans-56.9-30.9179.961.80000115.1E131S127-E131 WeakPolarHBondContact O-CG 3.25Å; S127-E131 PolarHBondContact O-N 3.29Å; S127-E131 VanDerWaalsContact O-N 3.14Å
128K90.5Very high87.6Confident155 Ų15549.9 Ų49.967%0.67427%0.27SS*.Hα-helixtrans-77.5-40.3178.9-64176-179.5170.60110.8D126 E131 C132D126-K128 PolarHBondContact O-N 2.87Å; D126-K128 WeakPolarHBondContact OD1-CA 3.36Å; D126-K128 VanDerWaalsContact OD1-CB 3.3Å; D126-K128 WeakPolarHBondContact OD1-CB 3.27Å; D126-K128 PolarHBondContact OD1-N 2.9Å; K128-E131 PolarHBondContact O-N 3.18Å; K128-C132 PolarHBondContact O-N 2.84Å; K128-C132 PolarHBondContact O-SG 2.97Å
129E91.3Very high87.1Confident9 Ų951.8 Ų51.84%0.04228%0.283CS..Hα-helixtrans-66-42.4177-66.2170.9142.800110.7Y117 E119 L125 D126 E131 C132 I133Y117-E129 WeakPolarHBondContact O-CB 3.38Å; Y117-E129 VanDerWaalsContact O-CD 3.29Å; Y117-E129 WeakPolarHBondContact O-CG 3.28Å; E119-E129 PolarHBondContact N-OE1 3.44Å; L125-E129 VanDerWaalsContact CA-OE2 3.31Å; L125-E129 WeakPolarHBondContact CA-OE2 3.46Å; L125-E129 HydrophobicContact CB-CB 4.5Å; L125-E129 HydrophobicContact CD2-CB 4.09Å; D126-E129 PolarHBondContact N-OE2 3.47Å; D126-E129 PolarHBondContact O-N 3.48Å; D126-E129 PolarHBondContact OD1-N 3.16Å; E129-E131 PolarHBondContact O-N 3.49Å; E129-C132 WeakPolarHBondContact O-CB 3.13Å; E129-C132 PolarHBondContact O-N 2.87Å; E129-C132 VanDerWaalsContact O-N 3.12Å; E129-I133 WeakPolarHBondContact O-CG1 3.25Å; E129-I133 PolarHBondContact O-N 2.99Å
130I90.4Very high86.7Confident20 Ų2048.2 Ų48.210%0.10327%0.268CS..Hα-helixtrans-60-43.9172.3-68.2-67.9000111.7L125 D126 C132 I133 I134 L159 V170 W175L125-I130 HydrophobicContact CB-CD1 3.81Å; L125-I130 HydrophobicContact CB-CG1 4.03Å; L125-I130 HydrophobicContact CD1-CD1 4Å; D126-I130 WeakPolarHBondContact O-CB 3.45Å; D126-I130 VanDerWaalsContact O-CG1 3.26Å; D126-I130 WeakPolarHBondContact O-CG1 3.23Å; D126-I130 PolarHBondContact O-N 2.95Å; I130-C132 VanDerWaalsContact C-N 3.29Å; I130-C132 PolarHBondContact O-N 3.34Å; I130-I133 HydrophobicContact CD1-CD1 4.37Å; I130-I133 WeakPolarHBondContact O-CB 3.36Å; I130-I133 PolarHBondContact O-N 2.92Å; I130-I134 HydrophobicContact CG2-CD1 4.02Å; I130-I134 WeakPolarHBondContact O-CG1 3.32Å; I130-I134 PolarHBondContact O-N 3.46Å; I130-L159 HydrophobicContact CG2-CB 3.92Å; I130-L159 HydrophobicContact CG2-CD1 3.74Å; I130-L159 HydrophobicContact CG2-CG 4.48Å; I130-V170 HydrophobicContact CD1-CB 4.47Å; I130-V170 HydrophobicContact CD1-CG2 4.18Å; I130-W175 HydrophobicContact CD1-CE3 4.48Å; I130-W175 HydrophobicContact CD1-CZ3 4.13Å
131E90.7Very high85.9Confident57 Ų5743.7 Ų43.727%0.26624%0.244SC..Hα-helixtrans-62.7-35.5174.6-78.8-68.9138.200112.3S127 K128 E129 I134 D135 R156S127-E131 WeakPolarHBondContact O-CG 3.25Å; S127-E131 PolarHBondContact O-N 3.29Å; S127-E131 VanDerWaalsContact O-N 3.14Å; K128-E131 PolarHBondContact O-N 3.18Å; E129-E131 PolarHBondContact O-N 3.49Å; E131-I134 PolarHBondContact O-N 2.87Å; E131-D135 PolarHBondContact O-N 3.33Å; E131-R156 WeakPolarHBondContact OE1-CD 3.26Å; E131-R156 WeakPolarHBondContact OE1-CG 3.11Å; E131-R156 IonicContact OE1-CZ 4Å; E131-R156 IonicContact OE1-NE 2.9Å; E131-R156 PolarHBondContact OE1-NE 2.85Å; E131-R156 IonicContact OE1-NH2 3.18Å; E131-R156 IonicContact OE2-CZ 2.71Å; E131-R156 IonicContact OE2-NE 3.31Å; E131-R156 PolarHBondContact OE2-NE 3.15Å; E131-R156 IonicContact OE2-NH2 2.99Å; E131-R156 PolarHBondContact OE2-NH2 2.9Å
132C87.3Confident85.3Confident41 Ų4143.8 Ų43.828%0.27724%0.24SC..Hα-helixtrans-63.6-41.5174.2-68.60000111.9Y117 K128 E129 I130 I134 D135 Q136Y117-C132 HydrophobicContact CD1-CB 3.8Å; Y117-C132 HydrophobicContact CE1-CB 3.76Å; K128-C132 PolarHBondContact O-N 2.84Å; K128-C132 PolarHBondContact O-SG 2.97Å; E129-C132 WeakPolarHBondContact O-CB 3.13Å; E129-C132 PolarHBondContact O-N 2.87Å; E129-C132 VanDerWaalsContact O-N 3.12Å; I130-C132 VanDerWaalsContact C-N 3.29Å; I130-C132 PolarHBondContact O-N 3.34Å; C132-I134 VanDerWaalsContact C-N 3.35Å; C132-D135 PolarHBondContact O-N 2.93Å; C132-Q136 PolarHBondContact O-N 2.92Å; C132-Q136 VanDerWaalsContact O-N 3.1Å
133I86.6Confident84Confident3 Ų347.1 Ų47.12%0.01525%0.253CS..Hα-helixtrans-61-45.7173.9-65.1169.8000110.3Y117 L125 E129 I130 D135 Q136 M137 W175Y117-I133 HydrophobicContact CD1-CG1 3.5Å; Y117-I133 HydrophobicContact CD2-CD1 4.21Å; Y117-I133 HydrophobicContact CD2-CG1 3.54Å; Y117-I133 HydrophobicContact CE1-CG1 3.93Å; Y117-I133 HydrophobicContact CE2-CG1 3.97Å; Y117-I133 HydrophobicContact CG-CD1 3.94Å; Y117-I133 HydrophobicContact CG-CG1 3.29Å; L125-I133 HydrophobicContact CD1-CD1 3.77Å; L125-I133 HydrophobicContact CD2-CD1 4.35Å; E129-I133 WeakPolarHBondContact O-CG1 3.25Å; E129-I133 PolarHBondContact O-N 2.99Å; I130-I133 HydrophobicContact CD1-CD1 4.37Å; I130-I133 WeakPolarHBondContact O-CB 3.36Å; I130-I133 PolarHBondContact O-N 2.92Å; I133-D135 PolarHBondContact O-N 3.22Å; I133-Q136 PolarHBondContact O-N 3.36Å; I133-M137 HydrophobicContact CG2-CG 4.22Å; I133-M137 HydrophobicContact CG2-SD 3.79Å; I133-M137 WeakPolarHBondContact O-CB 3.39Å; I133-M137 VanDerWaalsContact O-CG 3.23Å; I133-M137 WeakPolarHBondContact O-CG 3.3Å; I133-M137 PolarHBondContact O-N 2.92Å; I133-W175 HydrophobicContact CD1-CH2 3.79Å; I133-W175 HydrophobicContact CD1-CZ2 4.26Å; I133-W175 HydrophobicContact CD1-CZ3 4.03Å; I133-W175 HydrophobicContact CG2-CH2 3.92Å
134I85Confident82.3Confident1 Ų149.7 Ų49.71%0.00526%0.259CS..Hα-helixtrans-60.2-45.8178.7-66.9161.8000110.7I130 E131 C132 Q136 M137 M138 K152 L155 R156 L159I130-I134 HydrophobicContact CG2-CD1 4.02Å; I130-I134 WeakPolarHBondContact O-CG1 3.32Å; I130-I134 PolarHBondContact O-N 3.46Å; E131-I134 PolarHBondContact O-N 2.87Å; C132-I134 VanDerWaalsContact C-N 3.35Å; I134-Q136 VanDerWaalsContact C-N 3.29Å; I134-Q136 PolarHBondContact O-N 2.74Å; I134-M137 WeakPolarHBondContact O-CB 3.38Å; I134-M137 PolarHBondContact O-N 2.87Å; I134-M138 HydrophobicContact CG2-CG 4.24Å; I134-M138 VanDerWaalsContact O-CG 3.24Å; I134-M138 WeakPolarHBondContact O-CG 3.1Å; I134-M138 PolarHBondContact O-N 2.92Å; I134-K152 HydrophobicContact CG2-CD 4.43Å; I134-K152 HydrophobicContact CG2-CG 3.82Å; I134-L155 HydrophobicContact CG1-CB 4.37Å; I134-L155 HydrophobicContact CG2-CB 4.17Å; I134-L155 HydrophobicContact CG2-CD1 4.34Å; I134-R156 HydrophobicContact CD1-CB 4.36Å; I134-R156 HydrophobicContact CD1-CG 3.56Å; I134-L159 HydrophobicContact CD1-CD1 3.82Å; I134-L159 HydrophobicContact CG1-CD1 3.37Å; I134-L159 HydrophobicContact CG1-CG 4.48Å
135D86.5Confident80.5Confident82 Ų8250 Ų5044%0.43928%0.276SS..Hα-helixtrans-61-40179.4-79.9-21.6000112E131 C132 I133 M138 S139 K152E131-D135 PolarHBondContact O-N 3.33Å; C132-D135 PolarHBondContact O-N 2.93Å; I133-D135 PolarHBondContact O-N 3.22Å; D135-M138 PolarHBondContact O-N 3.49Å; D135-S139 PolarHBondContact O-N 2.84Å; D135-K152 WeakPolarHBondContact OD1-CE 3.44Å; D135-K152 IonicContact OD1-NZ 3.13Å; D135-K152 PolarHBondContact OD1-NZ 3.06Å
136Q80.2Confident79Confident19 Ų1954.1 Ų54.19%0.08929%0.292CS..Hα-helixtrans-65.8-44.7174-177.764.910.600112Y117 C132 I133 I134 M138 S139 V140Y117-Q136 WeakPolarHBondContact OH-CB 3.41Å; Y117-Q136 VanDerWaalsContact OH-CG 3.25Å; Y117-Q136 WeakPolarHBondContact OH-CG 3.48Å; C132-Q136 PolarHBondContact O-N 2.92Å; C132-Q136 VanDerWaalsContact O-N 3.1Å; I133-Q136 PolarHBondContact O-N 3.36Å; I134-Q136 VanDerWaalsContact C-N 3.29Å; I134-Q136 PolarHBondContact O-N 2.74Å; Q136-M138 PolarHBondContact O-N 3.01Å; Q136-S139 WeakPolarHBondContact O-CB 3.22Å; Q136-S139 PolarHBondContact O-N 2.93Å; Q136-V140 WeakPolarHBondContact O-CG2 3.35Å; Q136-V140 PolarHBondContact O-N 3.46Å
137M80.9Confident77.4Confident6 Ų657.7 Ų57.73%0.0331%0.311CS..Hα-helixtrans-58.2-38.6174.9-74.4176.474.600111.8I133 I134 V140 A141 L155 L185 L188I133-M137 HydrophobicContact CG2-CG 4.22Å; I133-M137 HydrophobicContact CG2-SD 3.79Å; I133-M137 WeakPolarHBondContact O-CB 3.39Å; I133-M137 VanDerWaalsContact O-CG 3.23Å; I133-M137 WeakPolarHBondContact O-CG 3.3Å; I133-M137 PolarHBondContact O-N 2.92Å; I134-M137 WeakPolarHBondContact O-CB 3.38Å; I134-M137 PolarHBondContact O-N 2.87Å; M137-V140 PolarHBondContact O-N 3.49Å; M137-A141 VanDerWaalsContact O-CB 3.28Å; M137-A141 WeakPolarHBondContact O-CB 3.2Å; M137-A141 PolarHBondContact O-N 3.05Å; M137-L155 HydrophobicContact CB-CD1 3.9Å; M137-L155 HydrophobicContact CE-CD1 4.06Å; M137-L155 HydrophobicContact CE-CD2 3.52Å; M137-L155 HydrophobicContact CE-CG 4.38Å; M137-L185 HydrophobicContact CE-CB 3.97Å; M137-L185 HydrophobicContact CE-CD1 3.54Å; M137-L185 HydrophobicContact CE-CG 4.37Å; M137-L185 HydrophobicContact SD-CD1 3.49Å; M137-L185 WeakPolarHBondContact SD-CD1 3.41Å; M137-L188 HydrophobicContact CB-CB 4.41Å; M137-L188 HydrophobicContact CB-CD1 4.02Å; M137-L188 HydrophobicContact CE-CB 4.02Å; M137-L188 HydrophobicContact CE-CD1 3.5Å; M137-L188 HydrophobicContact CE-CG 4.36Å; M137-L188 HydrophobicContact CG-CB 4.18Å; M137-L188 HydrophobicContact CG-CD1 4.44Å
138M80.1Confident76.4Confident26 Ų2655.8 Ų55.813%0.12830%0.296CS..Hα-helixtrans-65.1-40.7174.4-70-59.6-62.600111.6I134 D135 Q136 A141 V142 T148 L151 K152 L155I134-M138 HydrophobicContact CG2-CG 4.24Å; I134-M138 VanDerWaalsContact O-CG 3.24Å; I134-M138 WeakPolarHBondContact O-CG 3.1Å; I134-M138 PolarHBondContact O-N 2.92Å; D135-M138 PolarHBondContact O-N 3.49Å; Q136-M138 PolarHBondContact O-N 3.01Å; M138-A141 PolarHBondContact O-N 2.79Å; M138-V142 WeakPolarHBondContact O-CG2 3.31Å; M138-V142 PolarHBondContact O-N 2.82Å; M138-T148 VanDerWaalsContact CE-CB 3.5Å; M138-T148 HydrophobicContact CE-CG2 3.74Å; M138-L151 HydrophobicContact CE-CB 4.28Å; M138-L151 HydrophobicContact SD-CB 4.06Å; M138-L151 HydrophobicContact SD-CD2 3.93Å; M138-L151 HydrophobicContact SD-CG 3.88Å; M138-K152 HydrophobicContact CE-CB 3.88Å; M138-K152 HydrophobicContact CG-CB 4.19Å; M138-K152 HydrophobicContact CG-CD 4.33Å; M138-K152 HydrophobicContact CG-CG 4.21Å; M138-K152 HydrophobicContact SD-CB 3.73Å; M138-K152 HydrophobicContact SD-CG 4.36Å; M138-L155 HydrophobicContact CG-CD1 4.38Å; M138-L155 HydrophobicContact SD-CD1 3.88Å
139S76.6Confident75.4Confident49 Ų4953.7 Ų53.734%0.34330%0.296SS..Hα-helixtrans-59.5-47.3174.2-174.60000111.8Y97 D135 Q136 A141 V142 H143Y97-S139 PolarHBondContact OH-OG 3.45Å; D135-S139 PolarHBondContact O-N 2.84Å; Q136-S139 WeakPolarHBondContact O-CB 3.22Å; Q136-S139 PolarHBondContact O-N 2.93Å; S139-A141 VanDerWaalsContact C-N 3.33Å; S139-A141 PolarHBondContact O-N 2.84Å; S139-V142 PolarHBondContact O-N 3.5Å; S139-H143 PolarHBondContact O-N 2.78Å; S139-H143 VanDerWaalsContact O-N 3.15Å
140V71.2Confident74.1Confident12 Ų1259.4 Ų59.47%0.07332%0.322CS..Hα-helixtrans-63.1-41.5177178.10000110.6L100 Q136 M137 V142 H143 L144 L188L100-V140 HydrophobicContact CD1-CG1 4.4Å; L100-V140 HydrophobicContact CD1-CG2 3.76Å; Q136-V140 WeakPolarHBondContact O-CG2 3.35Å; Q136-V140 PolarHBondContact O-N 3.46Å; M137-V140 PolarHBondContact O-N 3.49Å; V140-V142 PolarHBondContact O-N 2.78Å; V140-H143 WeakPolarHBondContact O-CB 3.27Å; V140-H143 PolarHBondContact O-N 2.91Å; V140-L144 HydrophobicContact CG1-CD1 3.9Å; V140-L144 HydrophobicContact CG1-CG 4.22Å; V140-L144 WeakPolarHBondContact O-CB 3.29Å; V140-L144 WeakPolarHBondContact O-CG 3.43Å; V140-L144 PolarHBondContact O-N 3.03Å; V140-L188 HydrophobicContact CB-CD2 4.18Å; V140-L188 HydrophobicContact CG1-CD2 3.97Å
141A69Low73Confident0 Ų059.2 Ų59.20%032%0.322CS..Hα-helixtrans-62.2-43.2178.700000112.6M137 M138 S139 H143 L144 S145 W146 T148 L151 L188M137-A141 VanDerWaalsContact O-CB 3.28Å; M137-A141 WeakPolarHBondContact O-CB 3.2Å; M137-A141 PolarHBondContact O-N 3.05Å; M138-A141 PolarHBondContact O-N 2.79Å; S139-A141 VanDerWaalsContact C-N 3.33Å; S139-A141 PolarHBondContact O-N 2.84Å; A141-H143 VanDerWaalsContact C-N 3.31Å; A141-H143 PolarHBondContact O-N 2.83Å; A141-L144 CarbonylContact O-C 3.28Å; A141-L144 PolarHBondContact O-N 2.91Å; A141-S145 PolarHBondContact O-N 2.95Å; A141-S145 VanDerWaalsContact O-N 3.11Å; A141-W146 HydrophobicContact CB-CB 4.06Å; A141-W146 HydrophobicContact CB-CD2 4.49Å; A141-W146 HydrophobicContact CB-CE3 4.44Å; A141-W146 HydrophobicContact CB-CG 4.36Å; A141-W146 WeakPolarHBondContact O-CB 3.14Å; A141-W146 PolarHBondContact O-N 3.22Å; A141-T148 HydrophobicContact CB-CG2 4.3Å; A141-L151 HydrophobicContact CB-CD2 3.45Å; A141-L151 VanDerWaalsContact CB-CD2 3.45Å; A141-L188 HydrophobicContact CB-CD2 3.78Å
142V70.7Confident72.4Confident91 Ų9159 Ų5955%0.55232%0.32SS*.Hα-helixtrans-58.4-45.6173.3172.10000110.3M138 S139 V140 L144 S145 T148M138-V142 WeakPolarHBondContact O-CG2 3.31Å; M138-V142 PolarHBondContact O-N 2.82Å; S139-V142 PolarHBondContact O-N 3.5Å; V140-V142 PolarHBondContact O-N 2.78Å; V142-L144 PolarHBondContact O-N 2.8Å; V142-S145 WeakPolarHBondContact O-CA 3.47Å; V142-S145 PolarHBondContact O-N 3.02Å; V142-T148 HydrophobicContact CG2-CG2 3.71Å
143H61.7Low71.7Confident147 Ų14760.3 Ų60.368%0.68133%0.328SS*.Hα-helixtrans-63.6-41178.8-166.186000112.2S139 V140 A141 S145S139-H143 PolarHBondContact O-N 2.78Å; S139-H143 VanDerWaalsContact O-N 3.15Å; V140-H143 WeakPolarHBondContact O-CB 3.27Å; V140-H143 PolarHBondContact O-N 2.91Å; A141-H143 VanDerWaalsContact C-N 3.31Å; A141-H143 PolarHBondContact O-N 2.83Å; H143-S145 PolarHBondContact O-N 2.44Å; H143-S145 VanDerWaalsContact O-N 3.13Å
144L57.8Low70.8Confident84 Ų8463.9 Ų63.944%0.4435%0.346SS..THydrogen-bonded Turntrans-722.3173-65.4178000113.5V140 A141 V142 W146 L188V140-L144 HydrophobicContact CG1-CD1 3.9Å; V140-L144 HydrophobicContact CG1-CG 4.22Å; V140-L144 WeakPolarHBondContact O-CB 3.29Å; V140-L144 WeakPolarHBondContact O-CG 3.43Å; V140-L144 PolarHBondContact O-N 3.03Å; A141-L144 CarbonylContact O-C 3.28Å; A141-L144 PolarHBondContact O-N 2.91Å; V142-L144 PolarHBondContact O-N 2.8Å; L144-W146 VanDerWaalsContact C-N 3.31Å; L144-W146 HydrophobicContact CB-CG 4.48Å; L144-W146 PolarHBondContact O-N 2.79Å; L144-L188 HydrophobicContact CD1-CD2 4.25Å
145S57.1Low70.3Confident109 Ų10963.9 Ų63.976%0.76235%0.346SS*.THydrogen-bonded Turntrans57.640.1-178.1-53.60000113.3A141 V142 H143A141-S145 PolarHBondContact O-N 2.95Å; A141-S145 VanDerWaalsContact O-N 3.11Å; V142-S145 WeakPolarHBondContact O-CA 3.47Å; V142-S145 PolarHBondContact O-N 3.02Å; H143-S145 PolarHBondContact O-N 2.44Å; H143-S145 VanDerWaalsContact O-N 3.13Å
146W61.5Low70.1Confident89 Ų8964.5 Ų64.534%0.33734%0.342SS..  trans-77.2152.7170.5-71.427.9000109.8A141 L144 T148 L151 P184 V187 L188A141-W146 HydrophobicContact CB-CB 4.06Å; A141-W146 HydrophobicContact CB-CD2 4.49Å; A141-W146 HydrophobicContact CB-CE3 4.44Å; A141-W146 HydrophobicContact CB-CG 4.36Å; A141-W146 WeakPolarHBondContact O-CB 3.14Å; A141-W146 PolarHBondContact O-N 3.22Å; L144-W146 VanDerWaalsContact C-N 3.31Å; L144-W146 HydrophobicContact CB-CG 4.48Å; L144-W146 PolarHBondContact O-N 2.79Å; W146-T148 PolarHBondContact O-N 3.4Å; W146-L151 HydrophobicContact CE3-CD1 4.34Å; W146-L151 HydrophobicContact CE3-CD2 3.92Å; W146-P184 HydrophobicContact CZ3-CB 4.43Å; W146-V187 HydrophobicContact CH2-CB 4.18Å; W146-V187 HydrophobicContact CH2-CG1 4.03Å; W146-V187 HydrophobicContact CZ2-CB 4.25Å; W146-V187 HydrophobicContact CZ2-CG1 3.59Å; W146-L188 HydrophobicContact CE3-CD2 4.48Å; W146-L188 HydrophobicContact CH2-CD2 4.39Å; W146-L188 HydrophobicContact CH2-CG 4.23Å; W146-L188 HydrophobicContact CZ3-CD1 4.1Å; W146-L188 HydrophobicContact CZ3-CD2 4.33Å; W146-L188 HydrophobicContact CZ3-CG 4.22Å
147D58.9Low69.9Low125 Ų12569.8 Ų69.867%0.66837%0.367SS*.  trans-72.6115.6168.7-174-12000108.6V149D147-V149 WeakPolarHBondContact OD1-CB 3.36Å; D147-V149 WeakPolarHBondContact OD1-CG2 3.09Å; D147-V149 PolarHBondContact OD1-N 3.07Å; D147-V149 VanDerWaalsContact OD1-N 3.07Å
148T70.8Confident69.6Low47 Ų4770.7 Ų70.729%0.28837%0.371SS..  trans-97.3-5.5-174.453.60000114.1M138 A141 V142 W146 E150 L151M138-T148 VanDerWaalsContact CE-CB 3.5Å; M138-T148 HydrophobicContact CE-CG2 3.74Å; A141-T148 HydrophobicContact CB-CG2 4.3Å; V142-T148 HydrophobicContact CG2-CG2 3.71Å; W146-T148 PolarHBondContact O-N 3.4Å; T148-E150 VanDerWaalsContact C-N 3.33Å; T148-E150 PolarHBondContact O-N 3Å; T148-L151 HydrophobicContact CG2-CD2 4.46Å; T148-L151 PolarHBondContact O-N 3.34Å
149V69.7Low69.5Low111 Ų11169.7 Ų69.767%0.67337%0.366SS*.THydrogen-bonded Turntrans-58.4-46.2-174.2176.60000111.1D147D147-V149 WeakPolarHBondContact OD1-CB 3.36Å; D147-V149 WeakPolarHBondContact OD1-CG2 3.09Å; D147-V149 PolarHBondContact OD1-N 3.07Å; D147-V149 VanDerWaalsContact OD1-N 3.07Å
150E63.7Low69.8Low128 Ų12873.6 Ų73.660%0.59838%0.383SS*.THydrogen-bonded Turntrans-104.4-3.6-179-63-65.5153.700112.8T148 P153 I154T148-E150 VanDerWaalsContact C-N 3.33Å; T148-E150 PolarHBondContact O-N 3Å; E150-P153 WeakPolarHBondContact O-CD 3.3Å; E150-I154 HydrophobicContact CB-CD1 4.42Å; E150-I154 VanDerWaalsContact O-CD1 3.3Å; E150-I154 WeakPolarHBondContact O-CD1 3.2Å; E150-I154 VanDerWaalsContact O-CG1 3.24Å; E150-I154 WeakPolarHBondContact O-CG1 3.36Å; E150-I154 PolarHBondContact O-N 3.32Å
151L65.8Low70.3Confident17 Ų1779 Ų799%0.08941%0.407CS..Hα-helixtrans-71.8-42.7-170.6-175.961.7000112.6M138 A141 W146 T148 I154 L155M138-L151 HydrophobicContact CE-CB 4.28Å; M138-L151 HydrophobicContact SD-CB 4.06Å; M138-L151 HydrophobicContact SD-CD2 3.93Å; M138-L151 HydrophobicContact SD-CG 3.88Å; A141-L151 HydrophobicContact CB-CD2 3.45Å; A141-L151 VanDerWaalsContact CB-CD2 3.45Å; W146-L151 HydrophobicContact CE3-CD1 4.34Å; W146-L151 HydrophobicContact CE3-CD2 3.92Å; T148-L151 HydrophobicContact CG2-CD2 4.46Å; T148-L151 PolarHBondContact O-N 3.34Å; L151-I154 WeakPolarHBondContact O-CB 3.22Å; L151-I154 PolarHBondContact O-N 3.38Å; L151-I154 VanDerWaalsContact O-N 3.15Å; L151-L155 HydrophobicContact CD1-CD2 4.37Å; L151-L155 HydrophobicContact CD1-CG 4.16Å; L151-L155 HydrophobicContact CG-CD1 4.09Å; L151-L155 HydrophobicContact CG-CG 4.15Å; L151-L155 WeakPolarHBondContact O-CG 3.49Å; L151-L155 PolarHBondContact O-N 3.23Å
152K78.6Confident71.1Confident53 Ų5379.1 Ų79.123%0.2341%0.408CS..Hα-helixtrans-61-46.4-176.1-169.8169.5-175.1174.20112.6I134 D135 M138 I154 L155 R156I134-K152 HydrophobicContact CG2-CD 4.43Å; I134-K152 HydrophobicContact CG2-CG 3.82Å; D135-K152 WeakPolarHBondContact OD1-CE 3.44Å; D135-K152 IonicContact OD1-NZ 3.13Å; D135-K152 PolarHBondContact OD1-NZ 3.06Å; M138-K152 HydrophobicContact CE-CB 3.88Å; M138-K152 HydrophobicContact CG-CB 4.19Å; M138-K152 HydrophobicContact CG-CD 4.33Å; M138-K152 HydrophobicContact CG-CG 4.21Å; M138-K152 HydrophobicContact SD-CB 3.73Å; M138-K152 HydrophobicContact SD-CG 4.36Å; K152-I154 VanDerWaalsContact C-N 3.34Å; K152-I154 PolarHBondContact O-N 2.78Å; K152-L155 PolarHBondContact O-N 2.96Å; K152-R156 VanDerWaalsContact CE-NH2 3.28Å; K152-R156 PolarHBondContact O-N 3.48Å; K152-R156 VanDerWaalsContact O-N 3.08Å
153P74.2Confident71.9Confident68 Ų6876.1 Ų76.144%0.44239%0.388SS..Hα-helixtrans-58.2-42172.1-24.333.7000113.4E150 R156 E157E150-P153 WeakPolarHBondContact O-CD 3.3Å; P153-R156 WeakPolarHBondContact O-CB 3.4Å; P153-R156 PolarHBondContact O-N 3.47Å; P153-E157 PolarHBondContact O-N 3.39Å
154I67.8Low73Confident77 Ų7773 Ų7340%0.39537%0.371SS..Hα-helixtrans-61.1-46.6177.2-67.5167000110.4E150 L151 K152 R156 E157 M158E150-I154 HydrophobicContact CB-CD1 4.42Å; E150-I154 VanDerWaalsContact O-CD1 3.3Å; E150-I154 WeakPolarHBondContact O-CD1 3.2Å; E150-I154 VanDerWaalsContact O-CG1 3.24Å; E150-I154 WeakPolarHBondContact O-CG1 3.36Å; E150-I154 PolarHBondContact O-N 3.32Å; L151-I154 WeakPolarHBondContact O-CB 3.22Å; L151-I154 PolarHBondContact O-N 3.38Å; L151-I154 VanDerWaalsContact O-N 3.15Å; K152-I154 VanDerWaalsContact C-N 3.34Å; K152-I154 PolarHBondContact O-N 2.78Å; I154-R156 VanDerWaalsContact C-N 3.32Å; I154-R156 PolarHBondContact O-N 3.26Å; I154-E157 PolarHBondContact O-N 3.17Å; I154-M158 HydrophobicContact CG2-CG 4.14Å; I154-M158 HydrophobicContact CG2-SD 3.67Å; I154-M158 WeakPolarHBondContact O-CB 3.46Å; I154-M158 WeakPolarHBondContact O-CG 3.17Å; I154-M158 PolarHBondContact O-N 2.64Å
155L73.3Confident74.3Confident1 Ų174 Ų741%0.00538%0.377CS..Hα-helixtrans-61.2-40.2178.8-68.7-179.2000112.1I134 M137 M138 L151 K152 M158 L159 P184 L188I134-L155 HydrophobicContact CG1-CB 4.37Å; I134-L155 HydrophobicContact CG2-CB 4.17Å; I134-L155 HydrophobicContact CG2-CD1 4.34Å; M137-L155 HydrophobicContact CB-CD1 3.9Å; M137-L155 HydrophobicContact CE-CD1 4.06Å; M137-L155 HydrophobicContact CE-CD2 3.52Å; M137-L155 HydrophobicContact CE-CG 4.38Å; M138-L155 HydrophobicContact CG-CD1 4.38Å; M138-L155 HydrophobicContact SD-CD1 3.88Å; L151-L155 HydrophobicContact CD1-CD2 4.37Å; L151-L155 HydrophobicContact CD1-CG 4.16Å; L151-L155 HydrophobicContact CG-CD1 4.09Å; L151-L155 HydrophobicContact CG-CG 4.15Å; L151-L155 WeakPolarHBondContact O-CG 3.49Å; L151-L155 PolarHBondContact O-N 3.23Å; K152-L155 PolarHBondContact O-N 2.96Å; L155-M158 PolarHBondContact O-N 3.38Å; L155-L159 WeakPolarHBondContact O-CB 3.15Å; L155-L159 WeakPolarHBondContact O-CG 3.35Å; L155-L159 PolarHBondContact O-N 2.94Å; L155-P184 HydrophobicContact CD2-CB 4.4Å; L155-L188 HydrophobicContact CD1-CD1 4.34Å; L155-L188 HydrophobicContact CD2-CD1 4.32Å
156R82.1Confident75.7Confident96 Ų9672.7 Ų72.736%0.36237%0.373SS..Hα-helixtrans-59.8-51.8174.1-75.9175.4176.9154.9-5.4112.1E131 I134 K152 P153 I154 M158 L159 L160E131-R156 WeakPolarHBondContact OE1-CD 3.26Å; E131-R156 WeakPolarHBondContact OE1-CG 3.11Å; E131-R156 IonicContact OE1-CZ 4Å; E131-R156 IonicContact OE1-NE 2.9Å; E131-R156 PolarHBondContact OE1-NE 2.85Å; E131-R156 IonicContact OE1-NH2 3.18Å; E131-R156 IonicContact OE2-CZ 2.71Å; E131-R156 IonicContact OE2-NE 3.31Å; E131-R156 PolarHBondContact OE2-NE 3.15Å; E131-R156 IonicContact OE2-NH2 2.99Å; E131-R156 PolarHBondContact OE2-NH2 2.9Å; I134-R156 HydrophobicContact CD1-CB 4.36Å; I134-R156 HydrophobicContact CD1-CG 3.56Å; K152-R156 VanDerWaalsContact CE-NH2 3.28Å; K152-R156 PolarHBondContact O-N 3.48Å; K152-R156 VanDerWaalsContact O-N 3.08Å; P153-R156 WeakPolarHBondContact O-CB 3.4Å; P153-R156 PolarHBondContact O-N 3.47Å; I154-R156 VanDerWaalsContact C-N 3.32Å; I154-R156 PolarHBondContact O-N 3.26Å; R156-M158 VanDerWaalsContact C-N 3.28Å; R156-M158 PolarHBondContact O-N 3.08Å; R156-L159 PolarHBondContact O-N 3.11Å; R156-L160 WeakPolarHBondContact O-CB 3.32Å; R156-L160 VanDerWaalsContact O-CG 3.24Å; R156-L160 WeakPolarHBondContact O-CG 3.22Å; R156-L160 PolarHBondContact O-N 3.33Å
157E75.7Confident77.1Confident129 Ų12972.7 Ų72.760%0.60338%0.38SS*.Hα-helixtrans-58.3-44.1178.2-172.3178.3-173.100110.8P153 I154 L159 L160 E161P153-E157 PolarHBondContact O-N 3.39Å; I154-E157 PolarHBondContact O-N 3.17Å; E157-L159 PolarHBondContact O-N 3.07Å; E157-L160 PolarHBondContact O-N 2.62Å; E157-E161 PolarHBondContact O-N 3.23Å; E157-E161 VanDerWaalsContact O-N 3.13Å
158M74.4Confident78.6Confident26 Ų2669.1 Ų69.113%0.12837%0.372CS..Hα-helixtrans-63.7-40.7178.4-69.7179.190.800113.3I154 L155 R156 E161 T182 P184I154-M158 HydrophobicContact CG2-CG 4.14Å; I154-M158 HydrophobicContact CG2-SD 3.67Å; I154-M158 WeakPolarHBondContact O-CB 3.46Å; I154-M158 WeakPolarHBondContact O-CG 3.17Å; I154-M158 PolarHBondContact O-N 2.64Å; L155-M158 PolarHBondContact O-N 3.38Å; R156-M158 VanDerWaalsContact C-N 3.28Å; R156-M158 PolarHBondContact O-N 3.08Å; M158-E161 PolarHBondContact O-N 3.42Å; M158-T182 HydrophobicContact CB-CG2 4.32Å; M158-T182 HydrophobicContact CE-CG2 3.36Å; M158-T182 HydrophobicContact SD-CG2 4.26Å; M158-P184 HydrophobicContact CE-CB 4.37Å; M158-P184 HydrophobicContact CE-CG 3.74Å; M158-P184 HydrophobicContact SD-CB 4.36Å; M158-P184 HydrophobicContact SD-CG 4.05Å
159L80Confident79.7Confident4 Ų468.8 Ų68.82%0.02137%0.37CS..Hα-helixtrans-75.2-31.7178.7-67.9-175.1000112.1I130 I134 L155 R156 E157 E161 I162 W175 L185I130-L159 HydrophobicContact CG2-CB 3.92Å; I130-L159 HydrophobicContact CG2-CD1 3.74Å; I130-L159 HydrophobicContact CG2-CG 4.48Å; I134-L159 HydrophobicContact CD1-CD1 3.82Å; I134-L159 HydrophobicContact CG1-CD1 3.37Å; I134-L159 HydrophobicContact CG1-CG 4.48Å; L155-L159 WeakPolarHBondContact O-CB 3.15Å; L155-L159 WeakPolarHBondContact O-CG 3.35Å; L155-L159 PolarHBondContact O-N 2.94Å; R156-L159 PolarHBondContact O-N 3.11Å; E157-L159 PolarHBondContact O-N 3.07Å; L159-E161 PolarHBondContact O-N 3.42Å; L159-I162 HydrophobicContact CD2-CD1 3.56Å; L159-I162 HydrophobicContact CD2-CG1 4.48Å; L159-I162 WeakPolarHBondContact O-CB 3.26Å; L159-I162 PolarHBondContact O-N 3.49Å; L159-I162 VanDerWaalsContact O-N 3.1Å; L159-W175 HydrophobicContact CD2-CH2 4.18Å; L159-W175 HydrophobicContact CD2-CZ3 3.78Å; L159-L185 HydrophobicContact CD2-CD2 4.09Å
160L82.9Confident80.9Confident132 Ų13263.9 Ų63.969%0.69134%0.34SS*.Hα-helixtrans-62.4-30.4169.5-71.7169.6000112.2R156 E157 I162R156-L160 WeakPolarHBondContact O-CB 3.32Å; R156-L160 VanDerWaalsContact O-CG 3.24Å; R156-L160 WeakPolarHBondContact O-CG 3.22Å; R156-L160 PolarHBondContact O-N 3.33Å; E157-L160 PolarHBondContact O-N 2.62Å; L160-I162 VanDerWaalsContact C-N 3.26Å; L160-I162 PolarHBondContact O-N 3.48Å
161E81.6Confident82.3Confident126 Ų12659 Ų5959%0.58932%0.321SS*.THydrogen-bonded Turntrans-74.8-10.6174.5-72-169.9172.700114.2E157 M158 L159 Y164E157-E161 PolarHBondContact O-N 3.23Å; E157-E161 VanDerWaalsContact O-N 3.13Å; M158-E161 PolarHBondContact O-N 3.42Å; L159-E161 PolarHBondContact O-N 3.42Å; E161-Y164 WeakPolarHBondContact O-CE1 3.46Å
162I85.5Confident83.6Confident2 Ų259.9 Ų59.91%0.0133%0.325CS..THydrogen-bonded Turntrans-79.1-33.8178.1-62.4-171.5000111.3L159 L160 Y164 V170 E174 W175 L185L159-I162 HydrophobicContact CD2-CD1 3.56Å; L159-I162 HydrophobicContact CD2-CG1 4.48Å; L159-I162 WeakPolarHBondContact O-CB 3.26Å; L159-I162 PolarHBondContact O-N 3.49Å; L159-I162 VanDerWaalsContact O-N 3.1Å; L160-I162 VanDerWaalsContact C-N 3.26Å; L160-I162 PolarHBondContact O-N 3.48Å; I162-Y164 WeakPolarHBondContact O-CD2 3.27Å; I162-Y164 PolarHBondContact O-N 3.15Å; I162-V170 HydrophobicContact CG2-CG1 3.64Å; I162-E174 HydrophobicContact CG2-CB 4.37Å; I162-E174 VanDerWaalsContact CG2-O 3.25Å; I162-E174 WeakPolarHBondContact CG2-O 3.38Å; I162-W175 HydrophobicContact CD1-CZ3 4.47Å; I162-L185 HydrophobicContact CD1-CD2 4.12Å
163D87.6Confident84.2Confident27 Ų2762.9 Ų62.914%0.14434%0.344CS..  trans-63.995.1168.5177.1-0.5000108.5A166 D167 G168 T169 V170D163-A166 WeakPolarHBondContact OD1-CA 3.34Å; D163-A166 PolarHBondContact OD1-N 3.46Å; D163-A166 WeakPolarHBondContact OD2-CA 3.42Å; D163-D167 PolarHBondContact OD1-N 3.19Å; D163-G168 WeakPolarHBondContact OD2-CA 3.48Å; D163-G168 PolarHBondContact OD2-N 3.29Å; D163-T169 VanDerWaalsContact CG-O 3.3Å; D163-V170 HydrophobicContact CB-CG2 4.01Å
164Y83.4Confident85Confident81 Ų8160.4 Ų60.432%0.31833%0.326SS..SBendtrans-86-27.5-167.9-76.1-50000112.7E161 I162 E174 R177 G178 K246E161-Y164 WeakPolarHBondContact O-CE1 3.46Å; I162-Y164 WeakPolarHBondContact O-CD2 3.27Å; I162-Y164 PolarHBondContact O-N 3.15Å; Y164-E174 HydrophobicContact CD2-CB 4.3Å; Y164-E174 HydrophobicContact CD2-CG 4.04Å; Y164-E174 PolarHBondContact N-OE1 3.29Å; Y164-R177 HydrophobicContact CD2-CG 4.5Å; Y164-R177 HydrophobicContact CE2-CB 3.96Å; Y164-R177 HydrophobicContact CE2-CG 3.62Å; Y164-G178 WeakPolarHBondContact OH-CA 3.32Å; Y164-K246 PolarHBondContact OH-NZ 3.18Å
165D86.9Confident86.2Confident106 Ų10656.7 Ų56.757%0.56731%0.307SS*.SBendtrans-94.7-4.7174.664.716.7000113.6D167 E174D165-D167 VanDerWaalsContact C-N 3.3Å; D165-D167 WeakPolarHBondContact OD1-CB 3.43Å; D165-D167 PolarHBondContact OD1-N 3.13Å; D165-E174 PolarHBondContact N-OE1 2.94Å
166A86.1Confident86.7Confident81 Ų8158.7 Ų58.767%0.66932%0.316SS*.  trans61.535.7176.300000112.5D163 G168D163-A166 WeakPolarHBondContact OD1-CA 3.34Å; D163-A166 PolarHBondContact OD1-N 3.46Å; D163-A166 WeakPolarHBondContact OD2-CA 3.42Å; A166-G168 VanDerWaalsContact C-N 3.26Å
167D91Very high86.6Confident90 Ų9059.3 Ų59.348%0.48132%0.318SS..SBendtrans-80.7-7.4178.482.92.9000113.5D163 D165 T169D163-D167 PolarHBondContact OD1-N 3.19Å; D165-D167 VanDerWaalsContact C-N 3.3Å; D165-D167 WeakPolarHBondContact OD1-CB 3.43Å; D165-D167 PolarHBondContact OD1-N 3.13Å; D167-T169 WeakPolarHBondContact OD1-CA 3.48Å; D167-T169 PolarHBondContact OD1-N 3.05Å; D167-T169 PolarHBondContact OD1-OG1 3.07Å; D167-T169 PolarHBondContact OD2-OG1 2.95Å
168G90.3Very high86.7Confident50 Ų5053.1 Ų53.152%0.51529%0.289SS..SBendtrans92.51.7179.400000114D163 A166D163-G168 WeakPolarHBondContact OD2-CA 3.48Å; D163-G168 PolarHBondContact OD2-N 3.29Å; A166-G168 VanDerWaalsContact C-N 3.26Å
169T93.2Very high87Confident40 Ų4051.9 Ų51.925%0.24528%0.283CS..SBendtrans-128.9163.8174.966.70000110.5Y124 L125 D163 D167Y124-T169 WeakPolarHBondContact CD1-OG1 3.43Å; L125-T169 WeakPolarHBondContact O-CA 3.49Å; D163-T169 VanDerWaalsContact CG-O 3.3Å; D167-T169 WeakPolarHBondContact OD1-CA 3.48Å; D167-T169 PolarHBondContact OD1-N 3.05Å; D167-T169 PolarHBondContact OD1-OG1 3.07Å; D167-T169 PolarHBondContact OD2-OG1 2.95Å
170V94.2Very high86.7Confident7 Ų754.4 Ų54.44%0.04230%0.297CS..EExtended strand (participates in β ladder)trans-119.6113.9176.3178.20000109.3F114 Y124 L125 I130 I162 D163 E174 W175F114-V170 WeakPolarHBondContact CE2-O 3.27Å; Y124-V170 CarbonylContact C-O 3.43Å; Y124-V170 WeakPolarHBondContact CA-O 3.39Å; L125-V170 HydrophobicContact CB-CB 4.27Å; L125-V170 PolarHBondContact N-O 3.25Å; L125-V170 PolarHBondContact O-N 3.07Å; I130-V170 HydrophobicContact CD1-CB 4.47Å; I130-V170 HydrophobicContact CD1-CG2 4.18Å; I162-V170 HydrophobicContact CG2-CG1 3.64Å; D163-V170 HydrophobicContact CB-CG2 4.01Å; V170-E174 HydrophobicContact CG1-CB 3.94Å; V170-W175 HydrophobicContact CG1-CB 3.9Å; V170-W175 HydrophobicContact CG1-CE3 4.32Å
171S94.4Very high86Confident27 Ų2749 Ų4919%0.18927%0.269CS..EExtended strand (participates in β ladder)trans-71.9162.3174.164.60000112.6F114 D173 E174 W175F114-S171 VanDerWaalsContact CE2-C 3.49Å; S171-D173 PolarHBondContact O-N 3.07Å; S171-E174 WeakPolarHBondContact CB-OE2 3.4Å; S171-E174 PolarHBondContact N-OE2 3.49Å; S171-E174 PolarHBondContact O-N 3.33Å; S171-E174 VanDerWaalsContact O-N 3.14Å; S171-E174 WeakPolarHBondContact OG-CG 3.41Å; S171-E174 PolarHBondContact OG-N 3.1Å; S171-E174 PolarHBondContact OG-OE2 2.97Å; S171-W175 WeakPolarHBondContact O-CB 3.45Å; S171-W175 PolarHBondContact O-N 3.2Å
172L93.3Very high85.5Confident35 Ų3543.4 Ų43.418%0.18324%0.244CC..Hα-helixtrans-55.4-38.9177.3174.860.5000112.9E111 F114 K176E111-L172 HydrophobicContact CB-CD1 4.38Å; E111-L172 HydrophobicContact CG-CD1 4.16Å; F114-L172 HydrophobicContact CB-CD1 3.68Å; F114-L172 HydrophobicContact CD1-CB 4Å; F114-L172 HydrophobicContact CD1-CD1 3.66Å; F114-L172 HydrophobicContact CD1-CG 4.31Å; F114-L172 HydrophobicContact CD2-CB 4.32Å; F114-L172 HydrophobicContact CD2-CD1 4.06Å; F114-L172 HydrophobicContact CE1-CB 3.79Å; F114-L172 HydrophobicContact CE1-CD1 4.35Å; F114-L172 VanDerWaalsContact CE2-CA 3.41Å; F114-L172 HydrophobicContact CE2-CB 4.09Å; F114-L172 VanDerWaalsContact CE2-N 3.31Å; F114-L172 HydrophobicContact CG-CB 4.27Å; F114-L172 HydrophobicContact CG-CD1 3.5Å; F114-L172 HydrophobicContact CG-CG 4.46Å; F114-L172 HydrophobicContact CZ-CB 3.83Å; F114-L172 VanDerWaalsContact CZ-N 3.31Å; L172-K176 HydrophobicContact CD1-CD 4.07Å; L172-K176 HydrophobicContact CD1-CG 4.15Å; L172-K176 HydrophobicContact CG-CD 4.34Å; L172-K176 WeakPolarHBondContact O-CB 3.43Å; L172-K176 WeakPolarHBondContact O-CE 3.44Å; L172-K176 WeakPolarHBondContact O-CG 3.36Å; L172-K176 PolarHBondContact O-N 3.46Å
173D90.4Very high84.5Confident115 Ų11545.3 Ų45.362%0.61525%0.253SS*.Hα-helixtrans-71.8-37.8179.7-77.5-24.9000112.1S171 K176 R177S171-D173 PolarHBondContact O-N 3.07Å; D173-K176 WeakPolarHBondContact OD1-CE 3.38Å; D173-K176 IonicContact OD1-NZ 3.02Å; D173-K176 PolarHBondContact OD1-NZ 3.35Å; D173-R177 WeakPolarHBondContact O-CB 3.19Å; D173-R177 PolarHBondContact O-N 2.95Å
174E91Very high83.4Confident16 Ų1645.6 Ų45.68%0.07526%0.257CS..Hα-helixtrans-65.2-46.3172.2-69.8174.7122.400111.3I162 Y164 D165 V170 S171 K176 R177 G178I162-E174 HydrophobicContact CG2-CB 4.37Å; I162-E174 VanDerWaalsContact CG2-O 3.25Å; I162-E174 WeakPolarHBondContact CG2-O 3.38Å; Y164-E174 HydrophobicContact CD2-CB 4.3Å; Y164-E174 HydrophobicContact CD2-CG 4.04Å; Y164-E174 PolarHBondContact N-OE1 3.29Å; D165-E174 PolarHBondContact N-OE1 2.94Å; V170-E174 HydrophobicContact CG1-CB 3.94Å; S171-E174 WeakPolarHBondContact CB-OE2 3.4Å; S171-E174 PolarHBondContact N-OE2 3.49Å; S171-E174 PolarHBondContact O-N 3.33Å; S171-E174 VanDerWaalsContact O-N 3.14Å; S171-E174 WeakPolarHBondContact OG-CG 3.41Å; S171-E174 PolarHBondContact OG-N 3.1Å; S171-E174 PolarHBondContact OG-OE2 2.97Å; E174-K176 PolarHBondContact O-N 3.03Å; E174-R177 CarbonylContact O-C 3.55Å; E174-R177 PolarHBondContact O-N 3.28Å; E174-R177 VanDerWaalsContact O-N 3.13Å; E174-G178 PolarHBondContact O-N 3.22Å
175W92.3Very high83Confident0 Ų041.8 Ų41.80%024%0.242CC..Hα-helixtrans-55.2-52.1176.2178.5-104.7000112.3L110 T113 F114 L125 I130 I133 L159 I162 V170 S171 R177 G179 L185L110-W175 HydrophobicContact CD2-CZ2 4.26Å; L110-W175 VanDerWaalsContact O-CD1 3.25Å; L110-W175 PolarHBondContact O-NE1 3.25Å; T113-W175 HydrophobicContact CG2-CZ2 3.94Å; F114-W175 HydrophobicContact CB-CG 4.28Å; F114-W175 HydrophobicContact CD2-CB 3.51Å; F114-W175 AromaticContact CD2-CD1 3.77Å; F114-W175 HydrophobicContact CD2-CD2 4.34Å; F114-W175 AromaticContact CD2-CG 3.58Å; F114-W175 HydrophobicContact CD2-CG 3.58Å; F114-W175 HydrophobicContact CE2-CB 3.96Å; F114-W175 HydrophobicContact CE2-CG 4.45Å; F114-W175 HydrophobicContact CG-CG 4.41Å; L125-W175 HydrophobicContact CD1-CD2 3.9Å; L125-W175 HydrophobicContact CD1-CE3 3.67Å; L125-W175 HydrophobicContact CD1-CG 4.34Å; L125-W175 HydrophobicContact CD1-CZ3 4.16Å; I130-W175 HydrophobicContact CD1-CE3 4.48Å; I130-W175 HydrophobicContact CD1-CZ3 4.13Å; I133-W175 HydrophobicContact CD1-CH2 3.79Å; I133-W175 HydrophobicContact CD1-CZ2 4.26Å; I133-W175 HydrophobicContact CD1-CZ3 4.03Å; I133-W175 HydrophobicContact CG2-CH2 3.92Å; L159-W175 HydrophobicContact CD2-CH2 4.18Å; L159-W175 HydrophobicContact CD2-CZ3 3.78Å; I162-W175 HydrophobicContact CD1-CZ3 4.47Å; V170-W175 HydrophobicContact CG1-CB 3.9Å; V170-W175 HydrophobicContact CG1-CE3 4.32Å; S171-W175 WeakPolarHBondContact O-CB 3.45Å; S171-W175 PolarHBondContact O-N 3.2Å; W175-R177 VanDerWaalsContact C-N 3.34Å; W175-R177 PolarHBondContact O-N 2.87Å; W175-G179 WeakPolarHBondContact O-CA 3.38Å; W175-G179 PolarHBondContact O-N 3.15Å; W175-L185 HydrophobicContact CH2-CD1 3.95Å; W175-L185 HydrophobicContact CH2-CD2 3.81Å; W175-L185 HydrophobicContact CZ2-CD1 4.21Å; W175-L185 HydrophobicContact CZ2-CD2 4.11Å; W175-L185 HydrophobicContact CZ3-CD2 4.32Å
176K84.8Confident82.3Confident43 Ų4337.2 Ų37.219%0.18722%0.217CC..Hα-helixtrans-60-46175.5-73.2179.5-58.8-161.80110.6L110 E111 L172 D173 E174 L180L110-K176 HydrophobicContact CB-CG 4.32Å; E111-K176 HydrophobicContact CB-CD 4.35Å; L172-K176 HydrophobicContact CD1-CD 4.07Å; L172-K176 HydrophobicContact CD1-CG 4.15Å; L172-K176 HydrophobicContact CG-CD 4.34Å; L172-K176 WeakPolarHBondContact O-CB 3.43Å; L172-K176 WeakPolarHBondContact O-CE 3.44Å; L172-K176 WeakPolarHBondContact O-CG 3.36Å; L172-K176 PolarHBondContact O-N 3.46Å; D173-K176 WeakPolarHBondContact OD1-CE 3.38Å; D173-K176 IonicContact OD1-NZ 3.02Å; D173-K176 PolarHBondContact OD1-NZ 3.35Å; E174-K176 PolarHBondContact O-N 3.03Å; K176-L180 WeakPolarHBondContact O-CB 3.33Å; K176-L180 WeakPolarHBondContact O-CG 3.23Å; K176-L180 PolarHBondContact O-N 2.94Å
177R79.2Confident81.4Confident108 Ų10836 Ų3641%0.40820%0.201SC..Hα-helixtrans-66.6-44-175.8-177.9-180-173.4-162.73.5113.4Y164 D173 E174 W175 K246Y164-R177 HydrophobicContact CD2-CG 4.5Å; Y164-R177 HydrophobicContact CE2-CB 3.96Å; Y164-R177 HydrophobicContact CE2-CG 3.62Å; D173-R177 WeakPolarHBondContact O-CB 3.19Å; D173-R177 PolarHBondContact O-N 2.95Å; E174-R177 CarbonylContact O-C 3.55Å; E174-R177 PolarHBondContact O-N 3.28Å; E174-R177 VanDerWaalsContact O-N 3.13Å; W175-R177 VanDerWaalsContact C-N 3.34Å; W175-R177 PolarHBondContact O-N 2.87Å; R177-K246 HydrophobicContact CG-CD 4.06Å
178G78.3Confident80.3Confident0 Ų031.8 Ų31.80%018%0.179CC..Hα-helixtrans-71.6-46.7175.600000111Y164 E174 L180 T181 T182Y164-G178 WeakPolarHBondContact OH-CA 3.32Å; E174-G178 PolarHBondContact O-N 3.22Å; G178-L180 PolarHBondContact O-N 3.16Å; G178-T181 WeakPolarHBondContact O-CA 3.4Å; G178-T181 PolarHBondContact O-N 2.96Å; G178-T181 PolarHBondContact O-OG1 3.08Å; G178-T182 PolarHBondContact O-N 3.36Å; G178-T182 PolarHBondContact O-OG1 2.95Å
179G81.1Confident79.5Confident0 Ų029.9 Ų29.90%016%0.157CC..Hα-helixtrans-57.7-42.4-178.600000114.3W175 T181 T182 L186W175-G179 WeakPolarHBondContact O-CA 3.38Å; W175-G179 PolarHBondContact O-N 3.15Å; G179-T181 PolarHBondContact O-N 2.61Å; G179-T181 VanDerWaalsContact O-N 3.11Å; G179-T182 PolarHBondContact O-N 3.01Å; G179-L186 WeakPolarHBondContact O-CD2 3.39Å; G179-L186 WeakPolarHBondContact O-CG 3.48Å
180L73.4Confident78.1Confident57 Ų5729.7 Ų29.730%0.29816%0.162SC..THydrogen-bonded Turntrans-60.4-21.4175-73.4172.6000113.9P106 E107 L110 K176 G178P106-L180 HydrophobicContact CB-CD2 3.49Å; P106-L180 VanDerWaalsContact CB-CD2 3.49Å; E107-L180 HydrophobicContact CG-CD1 4.05Å; E107-L180 HydrophobicContact CG-CD2 4.14Å; E107-L180 WeakPolarHBondContact OE1-CD1 3.31Å; E107-L180 VanDerWaalsContact OE1-CD2 3.31Å; E107-L180 WeakPolarHBondContact OE1-CD2 3.48Å; L110-L180 HydrophobicContact CD1-CD2 3.92Å; L110-L180 HydrophobicContact CD1-CG 3.8Å; K176-L180 WeakPolarHBondContact O-CB 3.33Å; K176-L180 WeakPolarHBondContact O-CG 3.23Å; K176-L180 PolarHBondContact O-N 2.94Å; G178-L180 PolarHBondContact O-N 3.16Å
181T68.2Low76.5Confident18 Ų1829.8 Ų29.811%0.1116%0.163CC..THydrogen-bonded Turntrans-101.6-19.1179.459.60000113.8G178 G179 I183 A245 K246G178-T181 WeakPolarHBondContact O-CA 3.4Å; G178-T181 PolarHBondContact O-N 2.96Å; G178-T181 PolarHBondContact O-OG1 3.08Å; G179-T181 PolarHBondContact O-N 2.61Å; G179-T181 VanDerWaalsContact O-N 3.11Å; T181-I183 PolarHBondContact O-N 2.93Å; T181-A245 HydrophobicContact CG2-CB 4.29Å; T181-K246 HydrophobicContact CG2-CB 4.33Å
182T70.8Confident74.8Confident9 Ų931.1 Ų31.16%0.05517%0.167CC..  trans-86.985.6-178.4-58.80000109.8M158 G178 G179 L185 L186M158-T182 HydrophobicContact CB-CG2 4.32Å; M158-T182 HydrophobicContact CE-CG2 3.36Å; M158-T182 HydrophobicContact SD-CG2 4.26Å; G178-T182 PolarHBondContact O-N 3.36Å; G178-T182 PolarHBondContact O-OG1 2.95Å; G179-T182 PolarHBondContact O-N 3.01Å; T182-L185 HydrophobicContact CG2-CB 3.4Å; T182-L185 VanDerWaalsContact CG2-CB 3.4Å; T182-L185 HydrophobicContact CG2-CD2 4.29Å; T182-L185 WeakPolarHBondContact O-CA 3.26Å; T182-L185 VanDerWaalsContact O-CB 3.32Å; T182-L185 WeakPolarHBondContact O-CB 3.47Å; T182-L185 PolarHBondContact O-N 2.86Å; T182-L186 PolarHBondContact O-N 3.01Å
183I63.5Low72.7Confident41 Ų4130.9 Ų30.921%0.2117%0.171CC..Hα-helixtrans-54.9-46.1-174.9-64.9173.2000113.5T181 L185 L186 V187 L206 L231T181-I183 PolarHBondContact O-N 2.93Å; I183-L185 VanDerWaalsContact C-N 3.26Å; I183-L185 PolarHBondContact O-N 3.13Å; I183-L186 PolarHBondContact O-N 2.79Å; I183-V187 HydrophobicContact CG2-CG2 4.24Å; I183-V187 WeakPolarHBondContact O-CG2 3.26Å; I183-V187 PolarHBondContact O-N 3.21Å; I183-L206 HydrophobicContact CD1-CB 4.49Å; I183-L231 HydrophobicContact CD1-CD2 3.63Å
184P65.5Low70.9Confident34 Ų3426.8 Ų26.822%0.22115%0.148CC..Hα-helixtrans-51.7-42.9172.4-29.435.7000113.6W146 L155 M158 V187 L188W146-P184 HydrophobicContact CZ3-CB 4.43Å; L155-P184 HydrophobicContact CD2-CB 4.4Å; M158-P184 HydrophobicContact CE-CB 4.37Å; M158-P184 HydrophobicContact CE-CG 3.74Å; M158-P184 HydrophobicContact SD-CB 4.36Å; M158-P184 HydrophobicContact SD-CG 4.05Å; P184-V187 PolarHBondContact O-N 3.05Å; P184-L188 WeakPolarHBondContact O-CB 3.34Å; P184-L188 WeakPolarHBondContact O-CD1 3.34Å; P184-L188 WeakPolarHBondContact O-CG 3.17Å; P184-L188 PolarHBondContact O-N 3.5Å
185L75.5Confident69.1Low0 Ų031.4 Ų31.40%017%0.165CC..Hα-helixtrans-62-50.3176.1176.160.5000111.1L110 M137 L159 I162 W175 T182 I183 V187 L188 L189L110-L185 HydrophobicContact CD2-CD2 4.27Å; L110-L185 HydrophobicContact CD2-CG 4.49Å; M137-L185 HydrophobicContact CE-CB 3.97Å; M137-L185 HydrophobicContact CE-CD1 3.54Å; M137-L185 HydrophobicContact CE-CG 4.37Å; M137-L185 HydrophobicContact SD-CD1 3.49Å; M137-L185 WeakPolarHBondContact SD-CD1 3.41Å; L159-L185 HydrophobicContact CD2-CD2 4.09Å; I162-L185 HydrophobicContact CD1-CD2 4.12Å; W175-L185 HydrophobicContact CH2-CD1 3.95Å; W175-L185 HydrophobicContact CH2-CD2 3.81Å; W175-L185 HydrophobicContact CZ2-CD1 4.21Å; W175-L185 HydrophobicContact CZ2-CD2 4.11Å; W175-L185 HydrophobicContact CZ3-CD2 4.32Å; T182-L185 HydrophobicContact CG2-CB 3.4Å; T182-L185 VanDerWaalsContact CG2-CB 3.4Å; T182-L185 HydrophobicContact CG2-CD2 4.29Å; T182-L185 WeakPolarHBondContact O-CA 3.26Å; T182-L185 VanDerWaalsContact O-CB 3.32Å; T182-L185 WeakPolarHBondContact O-CB 3.47Å; T182-L185 PolarHBondContact O-N 2.86Å; I183-L185 VanDerWaalsContact C-N 3.26Å; I183-L185 PolarHBondContact O-N 3.13Å; L185-V187 VanDerWaalsContact C-N 3.32Å; L185-V187 PolarHBondContact O-N 2.87Å; L185-L188 PolarHBondContact O-N 2.93Å; L185-L188 VanDerWaalsContact O-N 3.15Å; L185-L189 HydrophobicContact CD1-CD1 3.79Å; L185-L189 HydrophobicContact CD1-CD2 4.39Å; L185-L189 HydrophobicContact CD1-CG 3.93Å; L185-L189 HydrophobicContact CG-CD1 3.96Å; L185-L189 HydrophobicContact CG-CG 4.43Å; L185-L189 VanDerWaalsContact O-CG 3.27Å; L185-L189 WeakPolarHBondContact O-CG 3.38Å; L185-L189 PolarHBondContact O-N 3.04Å
186L71.4Confident67Low11 Ų1136.3 Ų36.36%0.05819%0.194CC..Hα-helixtrans-55.7-45.4177.6-64177.2000112.7P106 L110 G179 T182 I183 L188 L189 G190 I191P106-L186 HydrophobicContact CB-CD2 4.3Å; L110-L186 HydrophobicContact CD1-CD2 4.15Å; G179-L186 WeakPolarHBondContact O-CD2 3.39Å; G179-L186 WeakPolarHBondContact O-CG 3.48Å; T182-L186 PolarHBondContact O-N 3.01Å; I183-L186 PolarHBondContact O-N 2.79Å; L186-L188 PolarHBondContact O-N 2.76Å; L186-L189 CarbonylContact O-C 3.45Å; L186-L189 PolarHBondContact O-N 2.8Å; L186-G190 PolarHBondContact O-N 2.77Å; L186-I191 HydrophobicContact CB-CB 4.19Å; L186-I191 HydrophobicContact CB-CD1 4.32Å; L186-I191 HydrophobicContact CD2-CD1 3.48Å; L186-I191 VanDerWaalsContact CD2-CD1 3.48Å; L186-I191 WeakPolarHBondContact O-CA 3.28Å; L186-I191 VanDerWaalsContact O-CB 3.23Å; L186-I191 WeakPolarHBondContact O-CB 3.47Å; L186-I191 PolarHBondContact O-N 3.37Å
187V66.5Low65.7Low55 Ų5537.1 Ų37.133%0.33320%0.199SC..Hα-helixtrans-66.3-39.3-179.6177.60000111.6W146 I183 P184 L185 L189 G190W146-V187 HydrophobicContact CH2-CB 4.18Å; W146-V187 HydrophobicContact CH2-CG1 4.03Å; W146-V187 HydrophobicContact CZ2-CB 4.25Å; W146-V187 HydrophobicContact CZ2-CG1 3.59Å; I183-V187 HydrophobicContact CG2-CG2 4.24Å; I183-V187 WeakPolarHBondContact O-CG2 3.26Å; I183-V187 PolarHBondContact O-N 3.21Å; P184-V187 PolarHBondContact O-N 3.05Å; L185-V187 VanDerWaalsContact C-N 3.32Å; L185-V187 PolarHBondContact O-N 2.87Å; V187-L189 VanDerWaalsContact C-N 3.28Å; V187-L189 PolarHBondContact O-N 2.95Å; V187-G190 PolarHBondContact O-N 2.82Å; V187-G190 VanDerWaalsContact O-N 3.09Å
188L69.1Low64.9Low2 Ų239.5 Ų39.51%0.0121%0.214CC..Hα-helixtrans-73.7-20.5178.5-67.4168.7000112.6L100 M137 V140 A141 L144 W146 L155 P184 L185 L186 G190L100-L188 WeakPolarHBondContact CD2-O 3.28Å; M137-L188 HydrophobicContact CB-CB 4.41Å; M137-L188 HydrophobicContact CB-CD1 4.02Å; M137-L188 HydrophobicContact CE-CB 4.02Å; M137-L188 HydrophobicContact CE-CD1 3.5Å; M137-L188 HydrophobicContact CE-CG 4.36Å; M137-L188 HydrophobicContact CG-CB 4.18Å; M137-L188 HydrophobicContact CG-CD1 4.44Å; V140-L188 HydrophobicContact CB-CD2 4.18Å; V140-L188 HydrophobicContact CG1-CD2 3.97Å; A141-L188 HydrophobicContact CB-CD2 3.78Å; L144-L188 HydrophobicContact CD1-CD2 4.25Å; W146-L188 HydrophobicContact CE3-CD2 4.48Å; W146-L188 HydrophobicContact CH2-CD2 4.39Å; W146-L188 HydrophobicContact CH2-CG 4.23Å; W146-L188 HydrophobicContact CZ3-CD1 4.1Å; W146-L188 HydrophobicContact CZ3-CD2 4.33Å; W146-L188 HydrophobicContact CZ3-CG 4.22Å; L155-L188 HydrophobicContact CD1-CD1 4.34Å; L155-L188 HydrophobicContact CD2-CD1 4.32Å; P184-L188 WeakPolarHBondContact O-CB 3.34Å; P184-L188 WeakPolarHBondContact O-CD1 3.34Å; P184-L188 WeakPolarHBondContact O-CG 3.17Å; P184-L188 PolarHBondContact O-N 3.5Å; L185-L188 PolarHBondContact O-N 2.93Å; L185-L188 VanDerWaalsContact O-N 3.15Å; L186-L188 PolarHBondContact O-N 2.76Å; L188-G190 PolarHBondContact O-N 3.31Å
189L72.3Confident64.6Low10 Ų1040.3 Ų40.35%0.05222%0.219CC..THydrogen-bonded Turntrans-8511.7167.4-62.7178.8000113.4L100 L110 T113 L185 L186 V187 I191L100-L189 WeakPolarHBondContact CD2-O 3.25Å; L110-L189 HydrophobicContact CD2-CD1 3.54Å; L110-L189 HydrophobicContact CG-CD1 4.31Å; T113-L189 HydrophobicContact CG2-CD2 3.83Å; T113-L189 WeakPolarHBondContact OG1-CD2 3.43Å; L185-L189 HydrophobicContact CD1-CD1 3.79Å; L185-L189 HydrophobicContact CD1-CD2 4.39Å; L185-L189 HydrophobicContact CD1-CG 3.93Å; L185-L189 HydrophobicContact CG-CD1 3.96Å; L185-L189 HydrophobicContact CG-CG 4.43Å; L185-L189 VanDerWaalsContact O-CG 3.27Å; L185-L189 WeakPolarHBondContact O-CG 3.38Å; L185-L189 PolarHBondContact O-N 3.04Å; L186-L189 CarbonylContact O-C 3.45Å; L186-L189 PolarHBondContact O-N 2.8Å; V187-L189 VanDerWaalsContact C-N 3.28Å; V187-L189 PolarHBondContact O-N 2.95Å; L189-I191 HydrophobicContact CB-CD1 4.07Å; L189-I191 HydrophobicContact CB-CG1 4.35Å; L189-I191 PolarHBondContact O-N 3.17Å
190G63.8Low64.6Low35 Ų3541 Ų4136%0.36123%0.225SC..THydrogen-bonded Turntrans70.217.6177.400000113.5L186 V187 L188 D192L186-G190 PolarHBondContact O-N 2.77Å; V187-G190 PolarHBondContact O-N 2.82Å; V187-G190 VanDerWaalsContact O-N 3.09Å; L188-G190 PolarHBondContact O-N 3.31Å; G190-D192 PolarHBondContact O-N 3.38Å
191I62.5Low65.1Low10 Ų1040.1 Ų40.15%0.05122%0.222CC..  trans-88.1101.3175-55.7159.7000107.3P106 K109 L186 L189 A193P106-I191 HydrophobicContact CB-CD1 4.21Å; P106-I191 HydrophobicContact CB-CG2 4.18Å; P106-I191 HydrophobicContact CG-CG2 3.86Å; K109-I191 HydrophobicContact CB-CD1 3.87Å; K109-I191 HydrophobicContact CB-CG1 4.09Å; K109-I191 HydrophobicContact CD-CD1 4.41Å; K109-I191 HydrophobicContact CD-CG1 3.69Å; K109-I191 HydrophobicContact CG-CG1 4.22Å; L186-I191 HydrophobicContact CB-CB 4.19Å; L186-I191 HydrophobicContact CB-CD1 4.32Å; L186-I191 HydrophobicContact CD2-CD1 3.48Å; L186-I191 VanDerWaalsContact CD2-CD1 3.48Å; L186-I191 WeakPolarHBondContact O-CA 3.28Å; L186-I191 VanDerWaalsContact O-CB 3.23Å; L186-I191 WeakPolarHBondContact O-CB 3.47Å; L186-I191 PolarHBondContact O-N 3.37Å; L189-I191 HydrophobicContact CB-CD1 4.07Å; L189-I191 HydrophobicContact CB-CG1 4.35Å; L189-I191 PolarHBondContact O-N 3.17Å; I191-A193 VanDerWaalsContact C-N 3.32Å; I191-A193 PolarHBondContact O-N 3.02Å
192D57Low66Low54 Ų5439.7 Ų39.729%0.28922%0.219SC..  trans-7396.2160.3-170.88.4000107.5G190 Q194 R195G190-D192 PolarHBondContact O-N 3.38Å; D192-Q194 PolarHBondContact O-N 3.17Å; D192-Q194 WeakPolarHBondContact OD1-CB 3.44Å; D192-Q194 WeakPolarHBondContact OD1-CG 3.4Å; D192-Q194 PolarHBondContact OD1-N 3.19Å; D192-Q194 PolarHBondContact OD1-NE2 2.87Å; D192-R195 HydrophobicContact CB-CG 4.16Å; D192-R195 PolarHBondContact O-N 3.31Å; D192-R195 IonicContact OD2-CZ 2.64Å; D192-R195 IonicContact OD2-NE 3.38Å; D192-R195 PolarHBondContact OD2-NE 3Å; D192-R195 IonicContact OD2-NH2 3.34Å
193A50.5Low66.7Low30 Ų3039.6 Ų39.625%0.24822%0.219CC..THydrogen-bonded Turntrans-59.822.6174.500000113.8I191 H197 V203I191-A193 VanDerWaalsContact C-N 3.32Å; I191-A193 PolarHBondContact O-N 3.02Å; A193-H197 PolarHBondContact O-CE1 2.74Å; A193-H197 PolarHBondContact O-NE2 2.83Å; A193-H197 VanDerWaalsContact O-NE2 3.11Å; A193-V203 WeakPolarHBondContact O-CG1 3.45Å
194Q51.8Low67.7Low30 Ų3039.8 Ų39.814%0.1422%0.217CC..THydrogen-bonded Turntrans-116.6-7.9178.1-66.1169.788.200113.7D192 H197 Y392D192-Q194 PolarHBondContact O-N 3.17Å; D192-Q194 WeakPolarHBondContact OD1-CB 3.44Å; D192-Q194 WeakPolarHBondContact OD1-CG 3.4Å; D192-Q194 PolarHBondContact OD1-N 3.19Å; D192-Q194 PolarHBondContact OD1-NE2 2.87Å; Q194-H197 VanDerWaalsContact C-NE2 3.26Å; Q194-H197 VanDerWaalsContact CA-NE2 3.34Å; Q194-H197 WeakPolarHBondContact CA-NE2 3.29Å; Q194-Y392 HydrophobicContact CB-CE1 4.49Å
195R54.6Low68.5Low112 Ų11239.4 Ų39.442%0.42322%0.215SC..SBendtrans-111.6-34-162.5-64.2-174.8-169.8175.5-14.2116.5D192 E409D192-R195 HydrophobicContact CB-CG 4.16Å; D192-R195 PolarHBondContact O-N 3.31Å; D192-R195 IonicContact OD2-CZ 2.64Å; D192-R195 IonicContact OD2-NE 3.38Å; D192-R195 PolarHBondContact OD2-NE 3Å; D192-R195 IonicContact OD2-NH2 3.34Å; R195-E409 IonicContact CZ-OE1 3.05Å; R195-E409 IonicContact CZ-OE2 3.52Å; R195-E409 IonicContact NE-OE2 2.83Å; R195-E409 IonicContact NH1-OE1 2.87Å; R195-E409 PolarHBondContact NH1-OE1 2.9Å; R195-E409 IonicContact NH1-OE2 3.35Å; R195-E409 PolarHBondContact NH1-OE2 3.31Å; R195-E409 IonicContact NH2-OE1 3.88Å; R195-E409 PolarHBondContact NH2-OE1 2.75Å; R195-E409 IonicContact NH2-OE2 3.2Å; R195-E409 PolarHBondContact NH2-OE2 3.48Å
196V46.3Very low68.8Low103 Ų10343.6 Ų43.662%0.62424%0.237SC*.  trans-122.3103.7-179.7-172.70000108.2
197H57.8Low69.2Low60 Ų6047.3 Ų47.328%0.27825%0.252SS..  trans-127125.3178.3-62.2-52.5000110.8A193 Q194 D199 V203 F235A193-H197 PolarHBondContact O-CE1 2.74Å; A193-H197 PolarHBondContact O-NE2 2.83Å; A193-H197 VanDerWaalsContact O-NE2 3.11Å; Q194-H197 VanDerWaalsContact C-NE2 3.26Å; Q194-H197 VanDerWaalsContact CA-NE2 3.34Å; Q194-H197 WeakPolarHBondContact CA-NE2 3.29Å; H197-D199 PolarHBondContact O-N 2.93Å; H197-V203 HydrophobicContact CB-CG2 4.33Å; H197-V203 WeakPolarHBondContact CE1-CG2 3.48Å; H197-V203 VanDerWaalsContact CG-CG2 3.44Å; H197-V203 VanDerWaalsContact ND1-CG2 3.26Å; H197-V203 WeakPolarHBondContact ND1-CG2 3.34Å; H197-V203 WeakPolarHBondContact NE2-CG2 3.3Å; H197-F235 HydrophobicContact CB-CE2 4.44Å; H197-F235 AromaticContact CD2-CE2 3.85Å; H197-F235 AromaticContact CD2-CZ 3.75Å
198E62.1Low69.9Low158 Ų15850.4 Ų50.474%0.73826%0.263SS*.  trans-58.1131.4160.8-67.1-167.6152.100109.9G200 T201E198-G200 PolarHBondContact O-N 2.83Å; E198-T201 WeakPolarHBondContact O-CB 3.49Å; E198-T201 PolarHBondContact O-N 3Å; E198-T201 VanDerWaalsContact O-N 3.08Å
199D72.1Confident70.6Confident18 Ų1850.8 Ų50.810%0.09627%0.265CS..THydrogen-bonded Turntrans-65.8116.6-178.6-16979.4000110.9H197 S254 T255 Y256 K258H197-D199 PolarHBondContact O-N 2.93Å; D199-S254 WeakPolarHBondContact OD2-CA 3.11Å; D199-S254 WeakPolarHBondContact OD2-CB 3.48Å; D199-S254 PolarHBondContact OD2-OG 3.39Å; D199-T255 WeakPolarHBondContact OD1-CB 3.29Å; D199-T255 PolarHBondContact OD1-N 2.91Å; D199-T255 PolarHBondContact OD1-OG1 3.28Å; D199-Y256 HydrophobicContact CB-CD1 4.32Å; D199-Y256 HydrophobicContact CB-CE1 3.58Å; D199-K258 PolarHBondContact O-NZ 3.21Å; D199-K258 WeakPolarHBondContact OD2-CE 3.33Å
200G81.9Confident70.9Confident13 Ų1355.5 Ų55.513%0.13430%0.299CS..THydrogen-bonded Turntrans109.5-9-174.100000114.4E198 N250 C252 I253E198-G200 PolarHBondContact O-N 2.83Å; G200-N250 CarbonylContact O-C 3.5Å; G200-C252 WeakPolarHBondContact O-CA 3.41Å; G200-C252 WeakPolarHBondContact O-CB 3.36Å; G200-C252 PolarHBondContact O-N 3.49Å; G200-I253 PolarHBondContact N-O 3.21Å
201T84.3Confident71.9Confident39 Ų3960.9 Ų60.924%0.23931%0.312CS..  trans-88.9144.1179.9-580000111.9E198 C252E198-T201 WeakPolarHBondContact O-CB 3.49Å; E198-T201 PolarHBondContact O-N 3Å; E198-T201 VanDerWaalsContact O-N 3.08Å; T201-C252 WeakPolarHBondContact O-CB 3.43Å
202H86.9Confident72.9Confident10 Ų1064.5 Ų64.55%0.04634%0.336CS..  trans-76.2147176.4-66-73.9000111.1W204 C233 C236 L249 N251 C252H202-W204 HydrophobicContact CB-CD2 4.25Å; H202-W204 HydrophobicContact CB-CH2 3.83Å; H202-W204 HydrophobicContact CB-CZ2 3.41Å; H202-W204 VanDerWaalsContact CB-CZ2 3.41Å; H202-W204 HydrophobicContact CB-CZ3 4.42Å; H202-W204 AromaticContact CD2-CZ2 3.87Å; H202-W204 AromaticContact CG-CH2 3.79Å; H202-W204 AromaticContact CG-CZ2 3.7Å; H202-C233 HydrophobicContact CB-CB 4.24Å; H202-C236 PolarHBondContact CE1-SG 3.45Å; H202-C236 PolarHBondContact ND1-SG 3.13Å; H202-L249 PolarHBondContact CD2-O 3.27Å; H202-L249 VanDerWaalsContact CD2-O 3.26Å; H202-L249 PolarHBondContact NE2-O 2.91Å; H202-N251 PolarHBondContact NE2-OD1 3.45Å; H202-C252 PolarHBondContact ND1-SG 3.28Å; H202-C252 VanDerWaalsContact ND1-SG 3.36Å
203V84.6Confident74.4Confident7 Ų762.4 Ų62.44%0.04233%0.326CS..  trans-120.598.6179.1178.80000109A193 H197 C233 I234 F235A193-V203 WeakPolarHBondContact O-CG1 3.45Å; H197-V203 HydrophobicContact CB-CG2 4.33Å; H197-V203 WeakPolarHBondContact CE1-CG2 3.48Å; H197-V203 VanDerWaalsContact CG-CG2 3.44Å; H197-V203 VanDerWaalsContact ND1-CG2 3.26Å; H197-V203 WeakPolarHBondContact ND1-CG2 3.34Å; H197-V203 WeakPolarHBondContact NE2-CG2 3.3Å; V203-C233 PolarHBondContact N-SG 3.34Å; V203-C233 CarbonylContact O-C 3.51Å; V203-C233 WeakPolarHBondContact O-CA 3.46Å; V203-I234 HydrophobicContact CB-CD1 4.03Å; V203-I234 HydrophobicContact CB-CG1 3.86Å; V203-I234 HydrophobicContact CG1-CD1 3.5Å; V203-I234 HydrophobicContact CG1-CG1 3.84Å; V203-I234 PolarHBondContact O-N 3.07Å; V203-F235 HydrophobicContact CB-CD2 4.26Å; V203-F235 HydrophobicContact CB-CE2 4.07Å; V203-F235 HydrophobicContact CG2-CD2 3.74Å; V203-F235 HydrophobicContact CG2-CE2 3.28Å; V203-F235 HydrophobicContact CG2-CZ 4.01Å
204W85Confident76.4Confident44 Ų4464 Ų6417%0.16733%0.325CS..EExtended strand (participates in β ladder)trans-76.7138.1-170-58.1115.8000112.2H202 L231 C233 H238 V240 A245 A248H202-W204 HydrophobicContact CB-CD2 4.25Å; H202-W204 HydrophobicContact CB-CH2 3.83Å; H202-W204 HydrophobicContact CB-CZ2 3.41Å; H202-W204 VanDerWaalsContact CB-CZ2 3.41Å; H202-W204 HydrophobicContact CB-CZ3 4.42Å; H202-W204 AromaticContact CD2-CZ2 3.87Å; H202-W204 AromaticContact CG-CH2 3.79Å; H202-W204 AromaticContact CG-CZ2 3.7Å; W204-L231 HydrophobicContact CB-CB 4.33Å; W204-L231 HydrophobicContact CB-CD1 4.15Å; W204-L231 HydrophobicContact CD2-CB 4.46Å; W204-L231 HydrophobicContact CE3-CB 4.06Å; W204-L231 HydrophobicContact CG-CD1 4.32Å; W204-C233 HydrophobicContact CE3-CB 4.1Å; W204-C233 HydrophobicContact CH2-CB 4.49Å; W204-C233 HydrophobicContact CZ3-CB 3.86Å; W204-H238 AromaticContact CH2-CD2 3.67Å; W204-V240 HydrophobicContact CD2-CG2 4.25Å; W204-V240 HydrophobicContact CE3-CG2 3.81Å; W204-V240 HydrophobicContact CH2-CG1 4.09Å; W204-V240 HydrophobicContact CH2-CG2 3.71Å; W204-V240 HydrophobicContact CZ2-CG2 4.11Å; W204-V240 HydrophobicContact CZ3-CG1 4.41Å; W204-V240 HydrophobicContact CZ3-CG2 3.53Å; W204-A245 HydrophobicContact CD2-CB 4.44Å; W204-A248 HydrophobicContact CH2-CB 4.16Å; W204-A248 HydrophobicContact CZ2-CB 3.84Å
205C82.3Confident78.3Confident27 Ų2762.5 Ų62.518%0.18232%0.319CS..EExtended strand (participates in β ladder)trans-132.5134.9171.5174.40000108.6K207 C232 I234 R393C205-K207 PolarHBondContact O-N 3.33Å; C205-C232 PolarHBondContact N-O 2.88Å; C205-C232 PolarHBondContact O-N 3.2Å; C205-I234 HydrophobicContact CB-CG2 3.71Å; C205-R393 PolarHBondContact SG-NH1 2.93Å
206L81Confident80.2Confident88 Ų8857.8 Ų57.846%0.46130%0.302SS..EExtended strand (participates in β ladder)trans-58.8132169.5-171.965.7000109.8I183 Q229 L231I183-L206 HydrophobicContact CD1-CB 4.49Å; L206-Q229 HydrophobicContact CD1-CB 4.23Å; L206-L231 HydrophobicContact CB-CD2 4.49Å; L206-L231 HydrophobicContact CD1-CD2 4.3Å
207K80.8Confident82.4Confident88 Ų8857 Ų5738%0.38329%0.291SS..EExtended strand (participates in β ladder)trans-139.5129.9-178-177.4176174-166.50110.8C205 F209 G230 C232C205-K207 PolarHBondContact O-N 3.33Å; K207-F209 HydrophobicContact CB-CE2 4.07Å; K207-F209 HydrophobicContact CB-CZ 4.11Å; K207-F209 HydrophobicContact CD-CD1 4.24Å; K207-F209 HydrophobicContact CD-CE1 3.7Å; K207-F209 HydrophobicContact CD-CE2 4.47Å; K207-F209 HydrophobicContact CD-CZ 3.83Å; K207-F209 HydrophobicContact CG-CE1 4.25Å; K207-F209 HydrophobicContact CG-CE2 4.26Å; K207-F209 HydrophobicContact CG-CZ 4.12Å; K207-F209 VanDerWaalsContact O-CD2 3.26Å; K207-F209 WeakPolarHBondContact O-CD2 3.15Å; K207-F209 VanDerWaalsContact O-CE2 3.31Å; K207-F209 WeakPolarHBondContact O-CE2 3.31Å; K207-G230 PolarHBondContact N-O 2.77Å; K207-G230 PolarHBondContact O-N 2.78Å; K207-C232 HydrophobicContact CB-CB 3.99Å; K207-C232 HydrophobicContact CD-CB 3.68Å
208H81.6Confident84Confident121 Ų12156.2 Ų56.256%0.5629%0.292SS*.EExtended strand (participates in β ladder)trans-82.4126.7166.3-167.991000110.3K228H208-K228 WeakPolarHBondContact CA-O 3.21Å
209F83.4Confident85.4Confident9 Ų953 Ų534%0.03928%0.278CS..  trans-100.9115.9-178.4-64.6-90.2000110.9K207 K211 S213 L222 K228 C232 T239K207-F209 HydrophobicContact CB-CE2 4.07Å; K207-F209 HydrophobicContact CB-CZ 4.11Å; K207-F209 HydrophobicContact CD-CD1 4.24Å; K207-F209 HydrophobicContact CD-CE1 3.7Å; K207-F209 HydrophobicContact CD-CE2 4.47Å; K207-F209 HydrophobicContact CD-CZ 3.83Å; K207-F209 HydrophobicContact CG-CE1 4.25Å; K207-F209 HydrophobicContact CG-CE2 4.26Å; K207-F209 HydrophobicContact CG-CZ 4.12Å; K207-F209 VanDerWaalsContact O-CD2 3.26Å; K207-F209 WeakPolarHBondContact O-CD2 3.15Å; K207-F209 VanDerWaalsContact O-CE2 3.31Å; K207-F209 WeakPolarHBondContact O-CE2 3.31Å; F209-K211 VanDerWaalsContact C-N 3.27Å; F209-K211 PolarHBondContact O-N 2.78Å; F209-S213 WeakPolarHBondContact CD1-OG 3.42Å; F209-L222 HydrophobicContact CD2-CD1 4.26Å; F209-L222 HydrophobicContact CE1-CD1 4.28Å; F209-L222 HydrophobicContact CE2-CD1 3.74Å; F209-L222 HydrophobicContact CZ-CD1 3.74Å; F209-K228 PolarHBondContact N-O 3.32Å; F209-C232 HydrophobicContact CZ-CB 4.33Å; F209-T239 HydrophobicContact CE1-CG2 3.75Å; F209-T239 HydrophobicContact CZ-CG2 3.7Å
210S79.3Confident86.3Confident110 Ų11059.1 Ų59.177%0.76930%0.304SS*.SBendtrans-75.7-13.6176.958.20000114.1
211K83.1Confident86.6Confident148 Ų14862.5 Ų62.564%0.64332%0.316SS*.SBendtrans-124153.7179.2-64.9-176179.2-175.60110F209 S213F209-K211 VanDerWaalsContact C-N 3.27Å; F209-K211 PolarHBondContact O-N 2.78Å; K211-S213 PolarHBondContact O-N 2.72Å; K211-S213 VanDerWaalsContact O-N 3.09Å; K211-S213 PolarHBondContact O-OG 3.27Å
212P84.7Confident86.7Confident86 Ų8660.8 Ų60.856%0.55831%0.305SS*.  trans-44.3119.9165.5-30.337.8000110.5
213S89.2Confident86Confident9 Ų962.8 Ų62.86%0.06332%0.318CS..  trans-136.3147.1-177-58.80000107.8F209 K211 L222F209-S213 WeakPolarHBondContact CD1-OG 3.42Å; K211-S213 PolarHBondContact O-N 2.72Å; K211-S213 VanDerWaalsContact O-N 3.09Å; K211-S213 PolarHBondContact O-OG 3.27Å; S213-L222 WeakPolarHBondContact O-CB 3.49Å; S213-L222 PolarHBondContact O-N 2.95Å
214Y91.6Very high84.5Confident63 Ų6366 Ų6625%0.24734%0.341CS..BIsolated β-bridgetrans-121.2147.5-170.7-57.8-102.6000110.4N216 K220 H221 T239 N274 A288 L289Y214-N216 PolarHBondContact O-N 2.94Å; Y214-K220 CarbonylContact C-O 3.55Å; Y214-K220 VanDerWaalsContact CA-O 3.31Å; Y214-K220 WeakPolarHBondContact CA-O 3.25Å; Y214-H221 AromaticContact CD1-CD2 3.77Å; Y214-H221 AromaticContact CE1-CD2 3.18Å; Y214-H221 WeakPolarHBondContact CE1-CD2 3.49Å; Y214-H221 AromaticContact CE1-NE2 3.48Å; Y214-H221 WeakPolarHBondContact CE1-NE2 3.34Å; Y214-H221 AromaticContact CZ-CD2 3.63Å; Y214-H221 AromaticContact CZ-NE2 3.38Å; Y214-H221 PolarHBondContact OH-NE2 3.44Å; Y214-T239 PolarHBondContact O-OG1 3.08Å; Y214-N274 WeakPolarHBondContact CB-OD1 3.11Å; Y214-N274 WeakPolarHBondContact CD2-OD1 3.07Å; Y214-N274 PolarHBondContact N-OD1 2.64Å; Y214-N274 PolarHBondContact O-ND2 3.46Å; Y214-N274 PolarHBondContact O-OD1 3.31Å; Y214-A288 HydrophobicContact CD2-CB 3.94Å; Y214-A288 HydrophobicContact CE2-CB 3.7Å; Y214-L289 HydrophobicContact CD1-CD1 3.82Å; Y214-L289 HydrophobicContact CD2-CD1 4.25Å; Y214-L289 HydrophobicContact CD2-CG 4.27Å; Y214-L289 HydrophobicContact CG-CD1 3.62Å; Y214-L289 HydrophobicContact CG-CG 4.09Å
215C92.4Very high83Confident0 Ų074.3 Ų74.30%038%0.379CS..  trans-68.4129.1171.4174.80000109.2H217 C218 M219 K220 L222 T239 H241C215-H217 VanDerWaalsContact C-N 3.25Å; C215-H217 PolarHBondContact O-N 3.23Å; C215-H217 PolarHBondContact SG-N 3.22Å; C215-H217 VanDerWaalsContact SG-N 3.36Å; C215-C218 PolarHBondContact SG-N 3.22Å; C215-C218 VanDerWaalsContact SG-N 3.36Å; C215-M219 WeakPolarHBondContact O-CA 3.48Å; C215-M219 PolarHBondContact O-N 3.47Å; C215-K220 PolarHBondContact N-O 3.22Å; C215-L222 HydrophobicContact CB-CD2 3.77Å; C215-L222 HydrophobicContact CB-CG 4.46Å; C215-T239 CarbonylContact C-O 3.56Å; C215-T239 WeakPolarHBondContact CA-O 3.44Å; C215-H241 WeakPolarHBondContact CB-CE1 3.28Å; C215-H241 VanDerWaalsContact CB-ND1 3.29Å; C215-H241 WeakPolarHBondContact CB-ND1 3.24Å
216N93Very high81.7Confident13 Ų1378.7 Ų78.77%0.0741%0.409CS..THydrogen-bonded Turntrans-76-13.5177.6-68.9121.8000113.2Y214 H238 T239 E272Y214-N216 PolarHBondContact O-N 2.94Å; N216-H238 WeakPolarHBondContact CB-CE1 3.3Å; N216-H238 VanDerWaalsContact CB-NE2 3.31Å; N216-H238 WeakPolarHBondContact CB-NE2 3.35Å; N216-T239 WeakPolarHBondContact CB-O 3.35Å; N216-T239 PolarHBondContact N-O 3.01Å; N216-T239 PolarHBondContact OD1-N 3.18Å; N216-T239 PolarHBondContact OD1-O 3.47Å; N216-T239 PolarHBondContact OD1-OG1 3.3Å; N216-E272 WeakPolarHBondContact ND2-CB 3.48Å; N216-E272 PolarHBondContact ND2-O 3.07Å
217H92.3Very high80.6Confident87 Ų8775.9 Ų75.940%0.40340%0.402SS..THydrogen-bonded Turntrans-85.3-62.8173.4172.673.6000111.3C215 V240 C244 F247C215-H217 VanDerWaalsContact C-N 3.25Å; C215-H217 PolarHBondContact O-N 3.23Å; C215-H217 PolarHBondContact SG-N 3.22Å; C215-H217 VanDerWaalsContact SG-N 3.36Å; H217-V240 HydrophobicContact CB-CG1 4.29Å; H217-C244 HydrophobicContact CB-CB 4.26Å; H217-F247 WeakPolarHBondContact CE1-CB 3.4Å; H217-F247 PolarHBondContact CE1-O 3.47Å; H217-F247 PolarHBondContact ND1-O 3.41Å; H217-F247 VanDerWaalsContact ND1-O 3.16Å; H217-F247 WeakPolarHBondContact NE2-CB 3.45Å
218C92.4Very high79.9Confident43 Ų4376.9 Ų76.929%0.29141%0.406SS..THydrogen-bonded Turntrans-92.7-2.8-174.980.20000114.4C215 K220 H241C215-C218 PolarHBondContact SG-N 3.22Å; C215-C218 VanDerWaalsContact SG-N 3.36Å; C218-K220 PolarHBondContact O-N 2.99Å; C218-K220 VanDerWaalsContact SG-CB 3.58Å; C218-H241 PolarHBondContact SG-CE1 3.33Å
219M92Very high79.6Confident89 Ų8976.4 Ų76.444%0.43840%0.404SS..  trans60.313.6-179.7-53.5-62.4-91.100115.4C215 L289C215-M219 WeakPolarHBondContact O-CA 3.48Å; C215-M219 PolarHBondContact O-N 3.47Å; M219-L289 HydrophobicContact CB-CD1 4.26Å; M219-L289 HydrophobicContact CE-CB 3.97Å; M219-L289 HydrophobicContact CE-CD1 3.82Å; M219-L289 HydrophobicContact CE-CD2 3.88Å; M219-L289 HydrophobicContact CE-CG 4.1Å; M219-L289 HydrophobicContact SD-CD1 4.1Å; M219-L289 HydrophobicContact SD-CD2 4.04Å
220K91Very high79.7Confident147 Ų14776.2 Ų76.264%0.63940%0.404SS*.SBendtrans-95.2161.8176.9-58.9176-177.1178.50111.3Y214 C215 C218Y214-K220 CarbonylContact C-O 3.55Å; Y214-K220 VanDerWaalsContact CA-O 3.31Å; Y214-K220 WeakPolarHBondContact CA-O 3.25Å; C215-K220 PolarHBondContact N-O 3.22Å; C218-K220 PolarHBondContact O-N 2.99Å; C218-K220 VanDerWaalsContact SG-CB 3.58Å
221H88.7Confident80.1Confident84 Ų8471 Ų7139%0.38937%0.368SS..BIsolated β-bridgetrans-55.4136.1175.5-102.7-113.1000112.3Y214 H241Y214-H221 AromaticContact CD1-CD2 3.77Å; Y214-H221 AromaticContact CE1-CD2 3.18Å; Y214-H221 WeakPolarHBondContact CE1-CD2 3.49Å; Y214-H221 AromaticContact CE1-NE2 3.48Å; Y214-H221 WeakPolarHBondContact CE1-NE2 3.34Å; Y214-H221 AromaticContact CZ-CD2 3.63Å; Y214-H221 AromaticContact CZ-NE2 3.38Å; Y214-H221 PolarHBondContact OH-NE2 3.44Å; H221-H241 PolarHBondContact O-CE1 3.33Å; H221-H241 PolarHBondContact O-NE2 3.31Å
222L86Confident80.4Confident4 Ų464.3 Ų64.32%0.02134%0.34CS..SBendtrans-74.5-27.5173-71171.6000112.9F209 S213 C215 S224 V240 H241F209-L222 HydrophobicContact CD2-CD1 4.26Å; F209-L222 HydrophobicContact CE1-CD1 4.28Å; F209-L222 HydrophobicContact CE2-CD1 3.74Å; F209-L222 HydrophobicContact CZ-CD1 3.74Å; S213-L222 WeakPolarHBondContact O-CB 3.49Å; S213-L222 PolarHBondContact O-N 2.95Å; C215-L222 HydrophobicContact CB-CD2 3.77Å; C215-L222 HydrophobicContact CB-CG 4.46Å; L222-S224 PolarHBondContact O-N 3.2Å; L222-V240 WeakPolarHBondContact CD2-O 3.41Å; L222-H241 HydrophobicContact CD2-CB 4.5Å; L222-H241 VanDerWaalsContact CD2-N 3.26Å
223V70.7Confident80.7Confident51 Ų5160.2 Ų60.231%0.30931%0.313SS..  trans-74.9114.7-179-176.70000109.2K228V223-K228 HydrophobicContact CB-CG 4.47Å; V223-K228 HydrophobicContact CG1-CB 4.34Å; V223-K228 HydrophobicContact CG1-CG 3.67Å; V223-K228 HydrophobicContact CG2-CB 4.13Å; V223-K228 HydrophobicContact CG2-CG 3.97Å
224S55.2Low80.6Confident75 Ų7560 Ų6052%0.52431%0.312SS..BIsolated β-bridgetrans-99.1170.6167-167.40000110.5L222 S226 G227L222-S224 PolarHBondContact O-N 3.2Å; S224-S226 PolarHBondContact O-N 3.43Å; S224-G227 PolarHBondContact N-O 3.49Å; S224-G227 PolarHBondContact O-N 2.8Å; S224-G227 VanDerWaalsContact O-N 3.13Å
225F51.7Low80.7Confident219 Ų21957.8 Ų57.896%0.96130%0.303SS*.THydrogen-bonded Turntrans-55.9-33-178-177.3-103.5000113.6
226S55Low80.7Confident118 Ų11857.9 Ų57.983%0.82530%0.304SS*.THydrogen-bonded Turntrans-85.3-2.9179.354.80000115.2S224S224-S226 PolarHBondContact O-N 3.43Å
227G58.4Low80.7Confident29 Ų2960.2 Ų60.230%0.29931%0.313SS..BIsolated β-bridgetrans157.3159.1175.300000116.3S224 Q229S224-G227 PolarHBondContact N-O 3.49Å; S224-G227 PolarHBondContact O-N 2.8Å; S224-G227 VanDerWaalsContact O-N 3.13Å; G227-Q229 PolarHBondContact O-N 2.89Å; G227-Q229 VanDerWaalsContact O-N 3.1Å
228K65.9Low80.7Confident109 Ų10956.6 Ų56.647%0.47430%0.297SS..SBendtrans-84.150177.4-60.1173.7-179.4172.90112.5H208 F209 V223H208-K228 WeakPolarHBondContact CA-O 3.21Å; F209-K228 PolarHBondContact N-O 3.32Å; V223-K228 HydrophobicContact CB-CG 4.47Å; V223-K228 HydrophobicContact CG1-CB 4.34Å; V223-K228 HydrophobicContact CG1-CG 3.67Å; V223-K228 HydrophobicContact CG2-CB 4.13Å; V223-K228 HydrophobicContact CG2-CG 3.97Å
229Q75.4Confident80.7Confident111 Ų11154.8 Ų54.852%0.51928%0.284SS..EExtended strand (participates in β ladder)trans-113.4150.5-175.8-68179.6-18.700111.9L206 G227L206-Q229 HydrophobicContact CD1-CB 4.23Å; G227-Q229 PolarHBondContact O-N 2.89Å; G227-Q229 VanDerWaalsContact O-N 3.1Å
230G85Confident80.7Confident5 Ų550.5 Ų50.55%0.05226%0.263CS..EExtended strand (participates in β ladder)trans-172.6176.1173.500000110.4K207K207-G230 PolarHBondContact N-O 2.77Å; K207-G230 PolarHBondContact O-N 2.78Å
231L88.7Confident80.5Confident2 Ų244.4 Ų44.41%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-93.6144.6-178.2-59.9-177.2000111.1I183 W204 L206 T239 V240 E242 A245I183-L231 HydrophobicContact CD1-CD2 3.63Å; W204-L231 HydrophobicContact CB-CB 4.33Å; W204-L231 HydrophobicContact CB-CD1 4.15Å; W204-L231 HydrophobicContact CD2-CB 4.46Å; W204-L231 HydrophobicContact CE3-CB 4.06Å; W204-L231 HydrophobicContact CG-CD1 4.32Å; L206-L231 HydrophobicContact CB-CD2 4.49Å; L206-L231 HydrophobicContact CD1-CD2 4.3Å; L231-T239 CarbonylContact O-C 3.47Å; L231-T239 WeakPolarHBondContact O-CA 3.34Å; L231-V240 HydrophobicContact CB-CG2 3.91Å; L231-V240 PolarHBondContact N-O 2.99Å; L231-V240 PolarHBondContact O-N 3.17Å; L231-E242 HydrophobicContact CD1-CB 4.43Å; L231-E242 HydrophobicContact CD1-CG 4.48Å; L231-A245 HydrophobicContact CD1-CB 3.84Å
232C89.2Confident80.3Confident7 Ų743.9 Ų43.95%0.04724%0.235CC..EExtended strand (participates in β ladder)trans-138.5124.2176.9-175.20000110.2C205 K207 F209 I234 H238 T239C205-C232 PolarHBondContact N-O 2.88Å; C205-C232 PolarHBondContact O-N 3.2Å; K207-C232 HydrophobicContact CB-CB 3.99Å; K207-C232 HydrophobicContact CD-CB 3.68Å; F209-C232 HydrophobicContact CZ-CB 4.33Å; C232-I234 PolarHBondContact O-N 2.99Å; C232-H238 CarbonylContact C-O 3.51Å; C232-H238 WeakPolarHBondContact CA-O 3.36Å; C232-T239 HydrophobicContact CB-CG2 3.97Å
233C91.1Very high80.2Confident0 Ų052 Ų520%027%0.265CS..EExtended strand (participates in β ladder)trans-63.1127.4176.3176.50000110.6H202 V203 W204 F235 C236 K237 H238H202-C233 HydrophobicContact CB-CB 4.24Å; V203-C233 PolarHBondContact N-SG 3.34Å; V203-C233 CarbonylContact O-C 3.51Å; V203-C233 WeakPolarHBondContact O-CA 3.46Å; W204-C233 HydrophobicContact CE3-CB 4.1Å; W204-C233 HydrophobicContact CH2-CB 4.49Å; W204-C233 HydrophobicContact CZ3-CB 3.86Å; C233-F235 VanDerWaalsContact C-N 3.29Å; C233-F235 PolarHBondContact O-N 2.85Å; C233-C236 WeakPolarHBondContact CB-SG 3.27Å; C233-C236 PolarHBondContact SG-N 3.43Å; C233-C236 VanDerWaalsContact SG-N 3.42Å; C233-C236 PolarHBondContact SG-SG 3.33Å; C233-K237 VanDerWaalsContact O-CA 3.27Å; C233-K237 WeakPolarHBondContact O-CA 3.49Å; C233-K237 PolarHBondContact O-N 3.47Å; C233-H238 HydrophobicContact CB-CB 4.36Å; C233-H238 PolarHBondContact N-O 3.04Å
234I88Confident81.1Confident5 Ų550 Ų503%0.02625%0.253CS..THydrogen-bonded Turntrans-65.4-36.8-178.869.4-178.3000111.1V203 C205 C232 K237 R393V203-I234 HydrophobicContact CB-CD1 4.03Å; V203-I234 HydrophobicContact CB-CG1 3.86Å; V203-I234 HydrophobicContact CG1-CD1 3.5Å; V203-I234 HydrophobicContact CG1-CG1 3.84Å; V203-I234 PolarHBondContact O-N 3.07Å; C205-I234 HydrophobicContact CB-CG2 3.71Å; C232-I234 PolarHBondContact O-N 2.99Å; I234-K237 PolarHBondContact O-NZ 3.49Å; I234-R393 HydrophobicContact CG2-CG 4.23Å
235F91.9Very high82.6Confident15 Ų1546.8 Ų46.87%0.06623%0.231CC..THydrogen-bonded Turntrans-77.9-58.7-177.9-60.2-34000112H197 V203 C233 I253 R295 Q396 Y397 P401H197-F235 HydrophobicContact CB-CE2 4.44Å; H197-F235 AromaticContact CD2-CE2 3.85Å; H197-F235 AromaticContact CD2-CZ 3.75Å; V203-F235 HydrophobicContact CB-CD2 4.26Å; V203-F235 HydrophobicContact CB-CE2 4.07Å; V203-F235 HydrophobicContact CG2-CD2 3.74Å; V203-F235 HydrophobicContact CG2-CE2 3.28Å; V203-F235 HydrophobicContact CG2-CZ 4.01Å; C233-F235 VanDerWaalsContact C-N 3.29Å; C233-F235 PolarHBondContact O-N 2.85Å; F235-I253 HydrophobicContact CB-CD1 3.97Å; F235-I253 HydrophobicContact CB-CG1 3.97Å; F235-R295 WeakPolarHBondContact O-CD 3.05Å; F235-R295 PolarHBondContact O-NE 3.41Å; F235-Q396 HydrophobicContact CD1-CB 4.32Å; F235-Q396 HydrophobicContact CE1-CB 4.26Å; F235-Y397 VanDerWaalsContact O-CD2 3.28Å; F235-Y397 WeakPolarHBondContact O-CD2 3.46Å; F235-P401 HydrophobicContact CD1-CB 4.23Å; F235-P401 HydrophobicContact CD1-CG 3.58Å; F235-P401 HydrophobicContact CE1-CB 3.85Å; F235-P401 HydrophobicContact CE1-CG 3.74Å; F235-P401 HydrophobicContact CG-CG 4.25Å; F235-P401 HydrophobicContact CZ-CB 4.4Å; F235-P401 HydrophobicContact CZ-CG 4.46Å
236C93.1Very high83.8Confident3 Ų339.4 Ų39.42%0.0220%0.198CC..THydrogen-bonded Turntrans-96-21.3-168.977.20000112.8H202 C233 H238 C252 I271H202-C236 PolarHBondContact CE1-SG 3.45Å; H202-C236 PolarHBondContact ND1-SG 3.13Å; C233-C236 WeakPolarHBondContact CB-SG 3.27Å; C233-C236 PolarHBondContact SG-N 3.43Å; C233-C236 VanDerWaalsContact SG-N 3.42Å; C233-C236 PolarHBondContact SG-SG 3.33Å; C236-H238 VanDerWaalsContact C-N 3.29Å; C236-H238 WeakPolarHBondContact SG-CB 3.49Å; C236-H238 PolarHBondContact SG-N 3.29Å; C236-C252 VanDerWaalsContact CB-SG 3.55Å; C236-C252 VanDerWaalsContact SG-SG 3.66Å; C236-I271 HydrophobicContact CB-CD1 3.4Å; C236-I271 VanDerWaalsContact CB-CD1 3.4Å; C236-I271 WeakPolarHBondContact O-CD1 3.43Å
237K92.3Very high85.3Confident61 Ų6138.7 Ų38.727%0.26518%0.181SC..  trans68.818.8-170.8-54-67.6177.8-130.40115C233 I234 Y397C233-K237 VanDerWaalsContact O-CA 3.27Å; C233-K237 WeakPolarHBondContact O-CA 3.49Å; C233-K237 PolarHBondContact O-N 3.47Å; I234-K237 PolarHBondContact O-NZ 3.49Å; K237-Y397 HydrophobicContact CB-CE2 4.13Å; K237-Y397 HydrophobicContact CD-CD2 4.11Å; K237-Y397 HydrophobicContact CD-CE2 4.28Å; K237-Y397 HydrophobicContact CG-CD2 3.42Å; K237-Y397 VanDerWaalsContact CG-CD2 3.42Å; K237-Y397 HydrophobicContact CG-CE2 3.17Å; K237-Y397 HydrophobicContact CG-CG 4.21Å
238H93Very high86.6Confident12 Ų1237.8 Ų37.86%0.05617%0.17CC..  trans-57.1141.9160.2-164.198.5000109.1W204 N216 C232 C233 C236 I271W204-H238 AromaticContact CH2-CD2 3.67Å; N216-H238 WeakPolarHBondContact CB-CE1 3.3Å; N216-H238 VanDerWaalsContact CB-NE2 3.31Å; N216-H238 WeakPolarHBondContact CB-NE2 3.35Å; C232-H238 CarbonylContact C-O 3.51Å; C232-H238 WeakPolarHBondContact CA-O 3.36Å; C233-H238 HydrophobicContact CB-CB 4.36Å; C233-H238 PolarHBondContact N-O 3.04Å; C236-H238 VanDerWaalsContact C-N 3.29Å; C236-H238 WeakPolarHBondContact SG-CB 3.49Å; C236-H238 PolarHBondContact SG-N 3.29Å; H238-I271 HydrophobicContact CB-CG2 4.18Å
239T92.7Very high87.5Confident4 Ų438.8 Ų38.83%0.02518%0.18CC..EExtended strand (participates in β ladder)trans-131.4134.4-173.151.40000110.8F209 Y214 C215 N216 L231 C232 N274F209-T239 HydrophobicContact CE1-CG2 3.75Å; F209-T239 HydrophobicContact CZ-CG2 3.7Å; Y214-T239 PolarHBondContact O-OG1 3.08Å; C215-T239 CarbonylContact C-O 3.56Å; C215-T239 WeakPolarHBondContact CA-O 3.44Å; N216-T239 WeakPolarHBondContact CB-O 3.35Å; N216-T239 PolarHBondContact N-O 3.01Å; N216-T239 PolarHBondContact OD1-N 3.18Å; N216-T239 PolarHBondContact OD1-O 3.47Å; N216-T239 PolarHBondContact OD1-OG1 3.3Å; L231-T239 CarbonylContact O-C 3.47Å; L231-T239 WeakPolarHBondContact O-CA 3.34Å; C232-T239 HydrophobicContact CB-CG2 3.97Å; T239-N274 PolarHBondContact OG1-ND2 3.49Å
240V91Very high87.8Confident0 Ų039 Ų390%019%0.185CC..EExtended strand (participates in β ladder)trans-143.4157.8-174.5-68.30000110.7W204 H217 L222 L231 C244 A245 A248W204-V240 HydrophobicContact CD2-CG2 4.25Å; W204-V240 HydrophobicContact CE3-CG2 3.81Å; W204-V240 HydrophobicContact CH2-CG1 4.09Å; W204-V240 HydrophobicContact CH2-CG2 3.71Å; W204-V240 HydrophobicContact CZ2-CG2 4.11Å; W204-V240 HydrophobicContact CZ3-CG1 4.41Å; W204-V240 HydrophobicContact CZ3-CG2 3.53Å; H217-V240 HydrophobicContact CB-CG1 4.29Å; L222-V240 WeakPolarHBondContact CD2-O 3.41Å; L231-V240 HydrophobicContact CB-CG2 3.91Å; L231-V240 PolarHBondContact N-O 2.99Å; L231-V240 PolarHBondContact O-N 3.17Å; V240-C244 HydrophobicContact CB-CB 4.09Å; V240-A245 HydrophobicContact CG2-CB 3.79Å; V240-A248 HydrophobicContact CG1-CB 4.19Å
241H87.7Confident87.9Confident19 Ų1942.5 Ų42.59%0.08820%0.202CC..  trans-63.9157160.3-56.6101.8000108.9C215 C218 H221 L222 R243 C244 A245C215-H241 WeakPolarHBondContact CB-CE1 3.28Å; C215-H241 VanDerWaalsContact CB-ND1 3.29Å; C215-H241 WeakPolarHBondContact CB-ND1 3.24Å; C218-H241 PolarHBondContact SG-CE1 3.33Å; H221-H241 PolarHBondContact O-CE1 3.33Å; H221-H241 PolarHBondContact O-NE2 3.31Å; L222-H241 HydrophobicContact CD2-CB 4.5Å; L222-H241 VanDerWaalsContact CD2-N 3.26Å; H241-R243 HydrophobicContact CB-CG 3.91Å; H241-R243 PolarHBondContact O-N 3.26Å; H241-C244 HydrophobicContact CB-CB 3.91Å; H241-C244 PolarHBondContact ND1-SG 2.92Å; H241-C244 VanDerWaalsContact ND1-SG 3.41Å; H241-C244 WeakPolarHBondContact O-CA 3.45Å; H241-C244 WeakPolarHBondContact O-CB 3.36Å; H241-C244 PolarHBondContact O-N 3.49Å; H241-A245 PolarHBondContact O-N 3.21Å; H241-A245 VanDerWaalsContact O-N 3.15Å
242E84.5Confident88Confident73 Ų7342.8 Ų42.834%0.34120%0.204SC..G310 helixtrans-51.6-56.6171.7-170.4157.6-165.600111.4L231 C244 A245L231-E242 HydrophobicContact CD1-CB 4.43Å; L231-E242 HydrophobicContact CD1-CG 4.48Å; E242-C244 PolarHBondContact O-N 3.45Å; E242-A245 WeakPolarHBondContact O-CB 3.48Å; E242-A245 PolarHBondContact O-N 2.86Å; E242-A245 VanDerWaalsContact O-N 3.07Å
243R84.3Confident88.2Confident175 Ų17542.6 Ų42.666%0.6620%0.203SC*.G310 helixtrans-56.3-23.1172.566-179.9173.7-130.4-1.8116.1H241 F247H241-R243 HydrophobicContact CB-CG 3.91Å; H241-R243 PolarHBondContact O-N 3.26Å; R243-F247 WeakPolarHBondContact O-CD2 3.45Å; R243-F247 WeakPolarHBondContact O-CE2 3.43Å
244C89.7Confident88Confident9 Ų944.9 Ų44.96%0.06122%0.219CC..G310 helixtrans-90.9-12.7-177.8-70.30000112.7H217 V240 H241 E242 K246 F247 A248H217-C244 HydrophobicContact CB-CB 4.26Å; V240-C244 HydrophobicContact CB-CB 4.09Å; H241-C244 HydrophobicContact CB-CB 3.91Å; H241-C244 PolarHBondContact ND1-SG 2.92Å; H241-C244 VanDerWaalsContact ND1-SG 3.41Å; H241-C244 WeakPolarHBondContact O-CA 3.45Å; H241-C244 WeakPolarHBondContact O-CB 3.36Å; H241-C244 PolarHBondContact O-N 3.49Å; E242-C244 PolarHBondContact O-N 3.45Å; C244-K246 VanDerWaalsContact C-N 3.35Å; C244-K246 PolarHBondContact O-N 2.75Å; C244-F247 PolarHBondContact O-N 3.12Å; C244-A248 PolarHBondContact O-N 3.34Å
245A86.2Confident88.1Confident6 Ų645.2 Ų45.25%0.0522%0.221CC..G310 helixtrans-62.8-39.1-172.900000113.3T181 W204 L231 V240 H241 E242 F247 A248T181-A245 HydrophobicContact CG2-CB 4.29Å; W204-A245 HydrophobicContact CD2-CB 4.44Å; L231-A245 HydrophobicContact CD1-CB 3.84Å; V240-A245 HydrophobicContact CG2-CB 3.79Å; H241-A245 PolarHBondContact O-N 3.21Å; H241-A245 VanDerWaalsContact O-N 3.15Å; E242-A245 WeakPolarHBondContact O-CB 3.48Å; E242-A245 PolarHBondContact O-N 2.86Å; E242-A245 VanDerWaalsContact O-N 3.07Å; A245-F247 VanDerWaalsContact C-N 3.31Å; A245-F247 PolarHBondContact O-N 3.01Å; A245-A248 WeakPolarHBondContact O-CB 3.4Å; A245-A248 PolarHBondContact O-N 3.14Å
246K77Confident87.8Confident65 Ų6546.2 Ų46.228%0.28323%0.225SC..G310 helixtrans-67.4-28.4177.168.1-170.8-176.4-176.50114.3Y164 R177 T181 C244 A248Y164-K246 PolarHBondContact OH-NZ 3.18Å; R177-K246 HydrophobicContact CG-CD 4.06Å; T181-K246 HydrophobicContact CG2-CB 4.33Å; C244-K246 VanDerWaalsContact C-N 3.35Å; C244-K246 PolarHBondContact O-N 2.75Å; K246-A248 VanDerWaalsContact C-N 3.31Å
247F87Confident87.3Confident103 Ų10346.3 Ų46.345%0.45223%0.225SC..G310 helixtrans-88.8-2.7176.9-53.8-70.7000112.3H217 R243 C244 A245H217-F247 WeakPolarHBondContact CE1-CB 3.4Å; H217-F247 PolarHBondContact CE1-O 3.47Å; H217-F247 PolarHBondContact ND1-O 3.41Å; H217-F247 VanDerWaalsContact ND1-O 3.16Å; H217-F247 WeakPolarHBondContact NE2-CB 3.45Å; R243-F247 WeakPolarHBondContact O-CD2 3.45Å; R243-F247 WeakPolarHBondContact O-CE2 3.43Å; C244-F247 PolarHBondContact O-N 3.12Å; A245-F247 VanDerWaalsContact C-N 3.31Å; A245-F247 PolarHBondContact O-N 3.01Å
248A84.9Confident86.1Confident9 Ų948.8 Ų48.87%0.07424%0.236CC..SBendtrans-71.9130.317400000109.2W204 V240 C244 A245 K246 N250W204-A248 HydrophobicContact CH2-CB 4.16Å; W204-A248 HydrophobicContact CZ2-CB 3.84Å; V240-A248 HydrophobicContact CG1-CB 4.19Å; C244-A248 PolarHBondContact O-N 3.34Å; A245-A248 WeakPolarHBondContact O-CB 3.4Å; A245-A248 PolarHBondContact O-N 3.14Å; K246-A248 VanDerWaalsContact C-N 3.31Å; A248-N250 PolarHBondContact O-N 3.1Å
249L84.5Confident84.6Confident131 Ų13150 Ų5069%0.68625%0.246SC*.  trans-60.7135.2175.9-63.6170.7000110.1H202 N251H202-L249 PolarHBondContact CD2-O 3.27Å; H202-L249 VanDerWaalsContact CD2-O 3.26Å; H202-L249 PolarHBondContact NE2-O 2.91Å; L249-N251 HydrophobicContact CB-CB 4.44Å; L249-N251 PolarHBondContact O-N 3.01Å; L249-N251 PolarHBondContact O-OD1 3.26Å
250N81.2Confident83Confident115 Ų11555 Ų5562%0.61527%0.268SS*.SBendtrans-74.464.1172.1-77.5-24.2000111.2G200 A248G200-N250 CarbonylContact O-C 3.5Å; A248-N250 PolarHBondContact O-N 3.1Å
251N87.7Confident81.6Confident78 Ų7864.5 Ų64.542%0.41731%0.309SS..  trans-115.435.5179.969.3-12.5000111.1H202 L249 H269H202-N251 PolarHBondContact NE2-OD1 3.45Å; L249-N251 HydrophobicContact CB-CB 4.44Å; L249-N251 PolarHBondContact O-N 3.01Å; L249-N251 PolarHBondContact O-OD1 3.26Å; N251-H269 PolarHBondContact O-CE1 2.74Å; N251-H269 PolarHBondContact O-NE2 3.39Å
252C91.5Very high80.7Confident8 Ų868 Ų685%0.05433%0.328CS..  trans-68-178.9175.4-149.80000111G200 T201 H202 C236 H269G200-C252 WeakPolarHBondContact O-CA 3.41Å; G200-C252 WeakPolarHBondContact O-CB 3.36Å; G200-C252 PolarHBondContact O-N 3.49Å; T201-C252 WeakPolarHBondContact O-CB 3.43Å; H202-C252 PolarHBondContact ND1-SG 3.28Å; H202-C252 VanDerWaalsContact ND1-SG 3.36Å; C236-C252 VanDerWaalsContact CB-SG 3.55Å; C236-C252 VanDerWaalsContact SG-SG 3.66Å; C252-H269 PolarHBondContact O-CE1 3.4Å; C252-H269 VanDerWaalsContact O-CE1 3.24Å
253I92.3Very high80.1Confident3 Ų367 Ų672%0.01533%0.327CS..  trans-69.2144.4177.654.8170.2000111.5G200 F235 H269 R295 W296 P401G200-I253 PolarHBondContact N-O 3.21Å; F235-I253 HydrophobicContact CB-CD1 3.97Å; F235-I253 HydrophobicContact CB-CG1 3.97Å; I253-H269 HydrophobicContact CG2-CB 4.28Å; I253-R295 HydrophobicContact CD1-CG 4.43Å; I253-R295 HydrophobicContact CG2-CB 4.06Å; I253-R295 HydrophobicContact CG2-CG 3.48Å; I253-R295 VanDerWaalsContact CG2-CG 3.48Å; I253-W296 HydrophobicContact CB-CZ2 4.07Å; I253-W296 HydrophobicContact CD1-CH2 3.99Å; I253-W296 HydrophobicContact CD1-CZ2 3.91Å; I253-W296 HydrophobicContact CG2-CZ2 4.1Å; I253-P401 HydrophobicContact CD1-CG 4.25Å
254S88.6Confident79.5Confident48 Ų4861.9 Ų61.934%0.33633%0.329SS..  trans-77.7146.2153.9-71.40000110.8D199 P325D199-S254 WeakPolarHBondContact OD2-CA 3.11Å; D199-S254 WeakPolarHBondContact OD2-CB 3.48Å; D199-S254 PolarHBondContact OD2-OG 3.39Å; S254-P325 WeakPolarHBondContact O-CG 3.5Å
255T89.8Confident79.3Confident13 Ų1365.7 Ų65.78%0.0835%0.352CS..SBendtrans-106.4-16.9178.862.70000112D199 N400 P401 R402D199-T255 WeakPolarHBondContact OD1-CB 3.29Å; D199-T255 PolarHBondContact OD1-N 2.91Å; D199-T255 PolarHBondContact OD1-OG1 3.28Å; T255-N400 PolarHBondContact O-ND2 3.47Å; T255-N400 PolarHBondContact O-OD1 2.76Å; T255-P401 HydrophobicContact CG2-CB 4.2Å; T255-P401 HydrophobicContact CG2-CG 3.94Å; T255-R402 PolarHBondContact OG1-NE 3.32Å
256Y85.5Confident79.6Confident36 Ų3666.4 Ų66.414%0.14135%0.354CS..SBendtrans-145.5171.4174.268.1-84.5000110.5D199 K258 P325 I328 P330 F364D199-Y256 HydrophobicContact CB-CD1 4.32Å; D199-Y256 HydrophobicContact CB-CE1 3.58Å; Y256-K258 HydrophobicContact CE2-CG 3.94Å; Y256-P325 CarbonylContact C-O 3.58Å; Y256-P325 WeakPolarHBondContact CA-O 3.48Å; Y256-I328 WeakPolarHBondContact CB-O 3.25Å; Y256-P330 HydrophobicContact CD2-CG 3.8Å; Y256-P330 HydrophobicContact CE2-CG 3.73Å; Y256-F364 HydrophobicContact CD1-CE1 4.39Å; Y256-F364 HydrophobicContact CD2-CE1 4.11Å; Y256-F364 AromaticContact CG-CE1 3.96Å; Y256-F364 HydrophobicContact CG-CE1 3.96Å
257S81.6Confident80.4Confident5 Ų567.4 Ų67.44%0.03537%0.365CS..  trans-89.4124.1176.9-175.80000111.5S259 D262 P325 I328 P330S257-S259 VanDerWaalsContact C-N 3.33Å; S257-S259 PolarHBondContact OG-O 2.88Å; S257-D262 WeakPolarHBondContact OG-CB 3.31Å; S257-P325 PolarHBondContact N-O 2.97Å; S257-I328 WeakPolarHBondContact CB-O 3.41Å; S257-I328 PolarHBondContact N-O 2.99Å; S257-P330 VanDerWaalsContact O-CD 3.24Å; S257-P330 WeakPolarHBondContact O-CD 3.31Å
258K67.3Low80.8Confident112 Ų11263.6 Ų63.649%0.48735%0.349SS..SBendtrans-80-14.6177-63.6-179.4-177178.10112.6D199 Y256 L333D199-K258 PolarHBondContact O-NZ 3.21Å; D199-K258 WeakPolarHBondContact OD2-CE 3.33Å; Y256-K258 HydrophobicContact CE2-CG 3.94Å; K258-L333 WeakPolarHBondContact O-CD1 3.36Å
259S61.3Low81.2Confident39 Ų3965.2 Ų65.227%0.27336%0.355SS..SBendtrans-151.9157.4179.285.90000112.7S257 K261 D262S257-S259 VanDerWaalsContact C-N 3.33Å; S257-S259 PolarHBondContact OG-O 2.88Å; S259-K261 PolarHBondContact O-N 3.01Å; S259-K261 PolarHBondContact OG-N 3.19Å; S259-D262 WeakPolarHBondContact CB-OD2 3.23Å; S259-D262 PolarHBondContact N-OD2 2.83Å; S259-D262 PolarHBondContact O-N 2.87Å; S259-D262 VanDerWaalsContact O-N 3.1Å; S259-D262 VanDerWaalsContact OG-CG 3.31Å; S259-D262 PolarHBondContact OG-N 3.11Å; S259-D262 PolarHBondContact OG-OD2 3.16Å
260K59.7Low81.7Confident109 Ų10961.7 Ų61.747%0.47433%0.333SS..G310 helixtrans-62.2-23.6172.2-82.3-161.1-176175.30113.6D262 T263K260-D262 PolarHBondContact O-N 2.84Å; K260-T263 WeakPolarHBondContact O-CB 3.42Å; K260-T263 PolarHBondContact O-N 3.08Å; K260-T263 VanDerWaalsContact O-N 3.13Å; K260-T263 PolarHBondContact O-OG1 2.73Å
261K61.9Low82.3Confident199 Ų19956.8 Ų56.887%0.86531%0.306SS*.G310 helixtrans-66.8-25.6176.6-66.9-178.3178.3179.50112S259 T263S259-K261 PolarHBondContact O-N 3.01Å; S259-K261 PolarHBondContact OG-N 3.19Å; K261-T263 VanDerWaalsContact C-N 3.29Å
262D67.4Low82.5Confident91 Ų9155.5 Ų55.549%0.48730%0.298SS..G310 helixtrans-90.78.2177.8-45.7-51.9000112.2S257 S259 K260 T326S257-D262 WeakPolarHBondContact OG-CB 3.31Å; S259-D262 WeakPolarHBondContact CB-OD2 3.23Å; S259-D262 PolarHBondContact N-OD2 2.83Å; S259-D262 PolarHBondContact O-N 2.87Å; S259-D262 VanDerWaalsContact O-N 3.1Å; S259-D262 VanDerWaalsContact OG-CG 3.31Å; S259-D262 PolarHBondContact OG-N 3.11Å; S259-D262 PolarHBondContact OG-OD2 3.16Å; K260-D262 PolarHBondContact O-N 2.84Å; D262-T326 VanDerWaalsContact O-CG2 3.32Å; D262-T326 WeakPolarHBondContact O-CG2 3.34Å
263T72.2Confident82.2Confident53 Ų5355.2 Ų55.233%0.32530%0.296SS..SBendtrans-89.1154.7176.965.80000111.9K260 K261 V265 V329K260-T263 WeakPolarHBondContact O-CB 3.42Å; K260-T263 PolarHBondContact O-N 3.08Å; K260-T263 VanDerWaalsContact O-N 3.13Å; K260-T263 PolarHBondContact O-OG1 2.73Å; K261-T263 VanDerWaalsContact C-N 3.29Å; T263-V265 PolarHBondContact O-N 3.28Å; T263-V329 HydrophobicContact CG2-CG2 3.83Å
264G72.8Confident82Confident68 Ų6856.5 Ų56.570%0.70130%0.303SS*.SBendtrans93.5-47.2168.800000116.7
265V85.8Confident81.5Confident89 Ų8956.6 Ų56.654%0.53930%0.303SS..  trans-112.1109.8-177.8-173.90000111.7T263 V267 K312T263-V265 PolarHBondContact O-N 3.28Å; V265-V267 PolarHBondContact O-N 3.37Å; V265-K312 HydrophobicContact CG1-CG 4.26Å
266M91.9Very high81Confident21 Ų2158.5 Ų58.510%0.10332%0.317CS..PPolyproline II helixtrans-71.2122.5171.8-171.568-170.700110.7W296 K312 C313 L315 P324 T326M266-W296 HydrophobicContact CE-CB 4.05Å; M266-W296 HydrophobicContact CE-CD2 3.57Å; M266-W296 VanDerWaalsContact CE-CE2 3.5Å; M266-W296 HydrophobicContact CE-CE3 4.49Å; M266-W296 HydrophobicContact CE-CG 3.28Å; M266-W296 HydrophobicContact CE-CZ2 4.35Å; M266-K312 CarbonylContact O-C 3.52Å; M266-K312 WeakPolarHBondContact O-CA 3.47Å; M266-C313 HydrophobicContact CG-CB 4Å; M266-C313 PolarHBondContact O-N 2.75Å; M266-L315 HydrophobicContact CE-CD2 4.01Å; M266-L315 HydrophobicContact CG-CD2 3.74Å; M266-L315 HydrophobicContact CG-CG 4.43Å; M266-L315 HydrophobicContact SD-CD2 4.25Å; M266-P324 HydrophobicContact SD-CB 3.85Å; M266-T326 HydrophobicContact SD-CG2 4.15Å
267V93.1Very high81.1Confident85 Ų8561.1 Ų61.152%0.51533%0.333SS..BIsolated β-bridgetrans-103156.1174.4-64.10000112.1V265 S311V265-V267 PolarHBondContact O-N 3.37Å; V267-S311 WeakPolarHBondContact CA-O 3.43Å
268H95.5Very high81.8Confident24 Ų2464.1 Ų64.111%0.11135%0.354CS..PPolyproline II helixtrans-66.9134.5175.2-73.8-92.6000111.5W270 C294 C297 D310 S311 K312 C313H268-W270 HydrophobicContact CB-CD2 4.1Å; H268-W270 HydrophobicContact CB-CG 4.4Å; H268-W270 HydrophobicContact CB-CH2 4.48Å; H268-W270 HydrophobicContact CB-CZ2 3.57Å; H268-W270 AromaticContact CD2-CZ2 3.95Å; H268-W270 AromaticContact CE1-CZ2 4Å; H268-W270 AromaticContact CG-CE2 3.8Å; H268-W270 AromaticContact CG-CZ2 3.43Å; H268-W270 VanDerWaalsContact CG-CZ2 3.43Å; H268-W270 AromaticContact ND1-CH2 3.69Å; H268-W270 AromaticContact ND1-CZ2 3.46Å; H268-W270 WeakPolarHBondContact ND1-CZ2 3.47Å; H268-C294 HydrophobicContact CB-CB 4.42Å; H268-C294 WeakPolarHBondContact ND1-CB 3.26Å; H268-C294 PolarHBondContact ND1-SG 3.38Å; H268-C297 PolarHBondContact CE1-SG 3.07Å; H268-C297 PolarHBondContact ND1-SG 3.3Å; H268-D310 PolarHBondContact CD2-O 3.36Å; H268-S311 PolarHBondContact CD2-O 3.04Å; H268-S311 PolarHBondContact N-O 2.84Å; H268-S311 VanDerWaalsContact N-O 3.17Å; H268-K312 PolarHBondContact NE2-O 2.78Å; H268-C313 HydrophobicContact CB-CB 4.4Å
269H94.7Very high83.1Confident43 Ų4358.9 Ų58.920%0.19933%0.331CS..  trans-103.297.5171.1-175.793.9000109.3N251 C252 I253 C294 R295N251-H269 PolarHBondContact O-CE1 2.74Å; N251-H269 PolarHBondContact O-NE2 3.39Å; C252-H269 PolarHBondContact O-CE1 3.4Å; C252-H269 VanDerWaalsContact O-CE1 3.24Å; I253-H269 HydrophobicContact CG2-CB 4.28Å; H269-C294 CarbonylContact O-C 3.56Å; H269-C294 VanDerWaalsContact O-CA 3.31Å; H269-C294 WeakPolarHBondContact O-CA 3.35Å; H269-R295 HydrophobicContact CB-CB 4.27Å; H269-R295 PolarHBondContact O-N 3.3Å
270W94.5Very high84.7Confident57 Ų5760.5 Ų60.522%0.21634%0.336CS..EExtended strand (participates in β ladder)trans-88.6134.4-170.9-65.1112.3000112.8H268 K292 C294 V301 L306 M309H268-W270 HydrophobicContact CB-CD2 4.1Å; H268-W270 HydrophobicContact CB-CG 4.4Å; H268-W270 HydrophobicContact CB-CH2 4.48Å; H268-W270 HydrophobicContact CB-CZ2 3.57Å; H268-W270 AromaticContact CD2-CZ2 3.95Å; H268-W270 AromaticContact CE1-CZ2 4Å; H268-W270 AromaticContact CG-CE2 3.8Å; H268-W270 AromaticContact CG-CZ2 3.43Å; H268-W270 VanDerWaalsContact CG-CZ2 3.43Å; H268-W270 AromaticContact ND1-CH2 3.69Å; H268-W270 AromaticContact ND1-CZ2 3.46Å; H268-W270 WeakPolarHBondContact ND1-CZ2 3.47Å; W270-K292 HydrophobicContact CB-CB 4.11Å; W270-K292 HydrophobicContact CB-CD 3.82Å; W270-K292 HydrophobicContact CD2-CB 4.41Å; W270-K292 HydrophobicContact CE3-CB 3.91Å; W270-C294 HydrophobicContact CD2-CB 4.39Å; W270-C294 HydrophobicContact CE3-CB 3.84Å; W270-C294 VanDerWaalsContact CE3-N 3.34Å; W270-C294 HydrophobicContact CH2-CB 3.96Å; W270-C294 HydrophobicContact CZ3-CB 3.61Å; W270-V301 HydrophobicContact CH2-CB 4.44Å; W270-V301 HydrophobicContact CH2-CG2 3.64Å; W270-V301 HydrophobicContact CZ3-CB 4.42Å; W270-V301 HydrophobicContact CZ3-CG2 3.93Å; W270-L306 HydrophobicContact CD2-CD1 3.97Å; W270-L306 HydrophobicContact CG-CD1 4.35Å; W270-L306 HydrophobicContact CH2-CD1 4.49Å; W270-L306 HydrophobicContact CZ2-CD1 3.93Å; W270-M309 HydrophobicContact CH2-CE 4.21Å; W270-M309 HydrophobicContact CZ2-CE 4.38Å
271I93.1Very high86.3Confident12 Ų1261.4 Ų61.46%0.06234%0.337CS..EExtended strand (participates in β ladder)trans-131.7140.4178.6-54.7163.5000108.6C236 H238 S273 K292 R293 R295C236-I271 HydrophobicContact CB-CD1 3.4Å; C236-I271 VanDerWaalsContact CB-CD1 3.4Å; C236-I271 WeakPolarHBondContact O-CD1 3.43Å; H238-I271 HydrophobicContact CB-CG2 4.18Å; I271-S273 PolarHBondContact O-N 3.41Å; I271-K292 CarbonylContact O-C 3.5Å; I271-K292 VanDerWaalsContact O-CA 3.25Å; I271-K292 WeakPolarHBondContact O-CA 3.24Å; I271-R293 PolarHBondContact N-O 2.84Å; I271-R293 PolarHBondContact O-N 3.01Å; I271-R295 HydrophobicContact CD1-CB 4.03Å
272E91.8Very high87.9Confident50 Ų5054.2 Ų54.223%0.23431%0.311CS..EExtended strand (participates in β ladder)trans-56.2120.1175.6-70.866.3-14100110.6N216 K292N216-E272 WeakPolarHBondContact ND2-CB 3.48Å; N216-E272 PolarHBondContact ND2-O 3.07Å; E272-K292 WeakPolarHBondContact OE1-CE 3.44Å; E272-K292 IonicContact OE1-NZ 3.18Å; E272-K292 PolarHBondContact OE1-NZ 2.8Å
273S86Confident89.2Confident3 Ų356.6 Ų56.62%0.02132%0.317CS..  trans-85.6122.4-170.8-171.80000111.9I271 C275 L289 G291 E300I271-S273 PolarHBondContact O-N 3.41Å; S273-C275 VanDerWaalsContact C-N 3.26Å; S273-C275 PolarHBondContact OG-N 2.95Å; S273-C275 VanDerWaalsContact OG-N 3.15Å; S273-C275 PolarHBondContact OG-O 3.35Å; S273-L289 PolarHBondContact O-N 2.9Å; S273-G291 WeakPolarHBondContact CB-O 3.3Å; S273-G291 PolarHBondContact N-O 3.04Å; S273-E300 PolarHBondContact OG-OE1 3.19Å
274N87.4Confident90.4Very high29 Ų2961.3 Ų61.316%0.15533%0.333CS..  trans-85.44.9165.6-91.7-67.4000113.6Y214 T239Y214-N274 WeakPolarHBondContact CB-OD1 3.11Å; Y214-N274 WeakPolarHBondContact CD2-OD1 3.07Å; Y214-N274 PolarHBondContact N-OD1 2.64Å; Y214-N274 PolarHBondContact O-ND2 3.46Å; Y214-N274 PolarHBondContact O-OD1 3.31Å; T239-N274 PolarHBondContact OG1-ND2 3.49Å
275C77.6Confident91.4Very high51 Ų5166.3 Ų66.335%0.34533%0.331SS..SBendtrans-106.7154.7-177.2-710000111.1S273 R293 E300S273-C275 VanDerWaalsContact C-N 3.26Å; S273-C275 PolarHBondContact OG-N 2.95Å; S273-C275 VanDerWaalsContact OG-N 3.15Å; S273-C275 PolarHBondContact OG-O 3.35Å; C275-R293 PolarHBondContact SG-NH1 3.17Å; C275-R293 PolarHBondContact SG-NH2 2.79Å; C275-R293 VanDerWaalsContact SG-NH2 3.38Å; C275-E300 VanDerWaalsContact CB-OE1 3.32Å; C275-E300 WeakPolarHBondContact CB-OE1 3.46Å
276S79.9Confident91.8Very high53 Ų5362 Ų6237%0.37131%0.305SS..  trans-106.5103.1169.669.80000110.6R285 V286S276-R285 PolarHBondContact OG-NH2 2.83Å; S276-R285 VanDerWaalsContact OG-NH2 3.08Å; S276-V286 WeakPolarHBondContact CA-O 3.34Å; S276-V286 WeakPolarHBondContact CB-O 3.5Å
277D88.8Confident91.8Very high90 Ų9067.2 Ų67.248%0.48133%0.327SS..  trans-126.8-178.3169.8-149.1-28.1000109.8V286 E300D277-V286 PolarHBondContact O-N 3.1Å; D277-E300 WeakPolarHBondContact CA-OE2 3.33Å; D277-E300 HydrophobicContact CB-CB 4.43Å; D277-E300 HydrophobicContact CB-CG 4.02Å; D277-E300 WeakPolarHBondContact CB-OE2 3.32Å; D277-E300 PolarHBondContact N-OE2 2.98Å
278C94.9Very high91.5Very high69 Ų6964.7 Ų64.747%0.46632%0.315SS..BIsolated β-bridgetrans-84134.2175.2-67.60000111.2L280C278-L280 PolarHBondContact O-N 3.1Å
279C95.4Very high91.2Very high1 Ų165.1 Ų65.11%0.00732%0.318CS..BIsolated β-bridgetrans-59.9127.9173.1175.60000110.4R281 C282 K283 K284 V286 E300 H302C279-R281 PolarHBondContact O-N 2.85Å; C279-C282 VanDerWaalsContact SG-SG 3.65Å; C279-K283 WeakPolarHBondContact O-CA 3.16Å; C279-K283 PolarHBondContact O-N 2.78Å; C279-K284 WeakPolarHBondContact CB-O 3.45Å; C279-K284 PolarHBondContact N-O 2.87Å; C279-V286 HydrophobicContact CB-CG2 3.72Å; C279-E300 CarbonylContact C-O 3.46Å; C279-E300 WeakPolarHBondContact CA-O 3.21Å; C279-H302 VanDerWaalsContact CB-CE1 3.49Å; C279-H302 WeakPolarHBondContact CB-CE1 3.29Å; C279-H302 WeakPolarHBondContact CB-ND1 3.18Å; C279-H302 PolarHBondContact SG-ND1 3.04Å; C279-H302 VanDerWaalsContact SG-ND1 3.39Å
280L94.1Very high91.1Very high73 Ų7367 Ų6738%0.38233%0.327SS..THydrogen-bonded Turntrans-58.7-35.2-179.3-174.366.7000111.8C278 K283 E300 V301 M309C278-L280 PolarHBondContact O-N 3.1Å; L280-K283 WeakPolarHBondContact O-CE 3.45Å; L280-K283 PolarHBondContact O-NZ 3.29Å; L280-E300 PolarHBondContact N-O 3.28Å; L280-V301 HydrophobicContact CB-CG2 4.28Å; L280-M309 HydrophobicContact CD2-CE 3.88Å
281R94Very high91Very high128 Ų12864.4 Ų64.448%0.48332%0.317SS..THydrogen-bonded Turntrans-82.2-60.6-175.9-170.2174.7179.3-148.2-6112.6C279 C305 G308 M309C279-R281 PolarHBondContact O-N 2.85Å; R281-C305 HydrophobicContact CB-CB 4.22Å; R281-C305 VanDerWaalsContact CD-O 3.25Å; R281-C305 WeakPolarHBondContact CD-O 3.39Å; R281-C305 PolarHBondContact NH1-O 3.3Å; R281-G308 VanDerWaalsContact CZ-CA 3.5Å; R281-G308 PolarHBondContact NE-O 3.46Å; R281-M309 HydrophobicContact CB-SD 4.08Å
282C95Very high91.1Very high48 Ų4866.3 Ų66.332%0.32433%0.325SS..THydrogen-bonded Turntrans-94-3-174.278.40000114.3C279 K284 H302C279-C282 VanDerWaalsContact SG-SG 3.65Å; C282-K284 PolarHBondContact O-N 2.83Å; C282-H302 VanDerWaalsContact SG-CE1 3.58Å; C282-H302 PolarHBondContact SG-ND1 3.37Å; C282-H302 VanDerWaalsContact SG-ND1 3.37Å
283K95.5Very high91.3Very high141 Ų14166.4 Ų66.461%0.61332%0.323SS*.  trans600.4-178.2-50.3-55.4-174-168.40116.3C279 L280C279-K283 WeakPolarHBondContact O-CA 3.16Å; C279-K283 PolarHBondContact O-N 2.78Å; L280-K283 WeakPolarHBondContact O-CE 3.45Å; L280-K283 PolarHBondContact O-NZ 3.29Å
284K96.1Very high91.7Very high153 Ų15366.2 Ų66.267%0.66532%0.322SS*.SBendtrans-78.8154.8174.4-59.9179.6-179.8179.60110.9C279 C282 H302C279-K284 WeakPolarHBondContact CB-O 3.45Å; C279-K284 PolarHBondContact N-O 2.87Å; C282-K284 PolarHBondContact O-N 2.83Å; K284-H302 PolarHBondContact O-CE1 3.18Å
285R95.3Very high92.1Very high172 Ų17265 Ų6565%0.64932%0.315SS*.BIsolated β-bridgetrans-62.9133.6177.6-172173.1-179.2167.20.4111.3S276 H302S276-R285 PolarHBondContact OG-NH2 2.83Å; S276-R285 VanDerWaalsContact OG-NH2 3.08Å; R285-H302 PolarHBondContact O-CE1 2.77Å; R285-H302 PolarHBondContact O-NE2 2.74Å
286V93.4Very high93Very high0 Ų062.9 Ų62.90%030%0.3CS..PPolyproline II helixtrans-92.8124.7169.5-174.20000106.9S276 D277 C279 E290 E300S276-V286 WeakPolarHBondContact CA-O 3.34Å; S276-V286 WeakPolarHBondContact CB-O 3.5Å; D277-V286 PolarHBondContact O-N 3.1Å; C279-V286 HydrophobicContact CB-CG2 3.72Å; V286-E290 HydrophobicContact CG1-CB 4.44Å; V286-E300 HydrophobicContact CG2-CB 4.44Å
287K91.1Very high93.7Very high130 Ų13060.8 Ų60.857%0.56529%0.285SS*.PPolyproline II helixtrans-85.1169170.6-51.6-179.7-166.6159.90110.1L289 E290K287-L289 PolarHBondContact O-N 2.89Å; K287-E290 VanDerWaalsContact CB-CD 3.48Å; K287-E290 HydrophobicContact CB-CG 4.09Å; K287-E290 VanDerWaalsContact CB-OE2 3.29Å; K287-E290 WeakPolarHBondContact CB-OE2 3.47Å; K287-E290 WeakPolarHBondContact CD-OE1 3.35Å; K287-E290 WeakPolarHBondContact CG-OE2 3.06Å; K287-E290 PolarHBondContact N-OE2 3.31Å; K287-E290 PolarHBondContact O-N 2.77Å; K287-E290 VanDerWaalsContact O-N 3.12Å
288A88.6Confident94Very high32 Ų3259 Ų5926%0.26427%0.273SS..THydrogen-bonded Turntrans-54.6135177.800000110.5Y214 E290Y214-A288 HydrophobicContact CD2-CB 3.94Å; Y214-A288 HydrophobicContact CE2-CB 3.7Å; A288-E290 PolarHBondContact O-N 3.49Å; A288-E290 VanDerWaalsContact O-N 3.09Å
289L87.9Confident94Very high32 Ų3256.9 Ų56.917%0.16826%0.259CS..THydrogen-bonded Turntrans63.4-0.9-177.1-53.7-179.4000116.8Y214 M219 S273 K287 G291Y214-L289 HydrophobicContact CD1-CD1 3.82Å; Y214-L289 HydrophobicContact CD2-CD1 4.25Å; Y214-L289 HydrophobicContact CD2-CG 4.27Å; Y214-L289 HydrophobicContact CG-CD1 3.62Å; Y214-L289 HydrophobicContact CG-CG 4.09Å; M219-L289 HydrophobicContact CB-CD1 4.26Å; M219-L289 HydrophobicContact CE-CB 3.97Å; M219-L289 HydrophobicContact CE-CD1 3.82Å; M219-L289 HydrophobicContact CE-CD2 3.88Å; M219-L289 HydrophobicContact CE-CG 4.1Å; M219-L289 HydrophobicContact SD-CD1 4.1Å; M219-L289 HydrophobicContact SD-CD2 4.04Å; S273-L289 PolarHBondContact O-N 2.9Å; K287-L289 PolarHBondContact O-N 2.89Å; L289-G291 VanDerWaalsContact C-N 3.31Å
290E91.9Very high94Very high84 Ų8457 Ų5739%0.39326%0.259SS..SBendtrans-86-1.1176.1-66.3-178.9173.700113.6V286 K287 A288 I303V286-E290 HydrophobicContact CG1-CB 4.44Å; K287-E290 VanDerWaalsContact CB-CD 3.48Å; K287-E290 HydrophobicContact CB-CG 4.09Å; K287-E290 VanDerWaalsContact CB-OE2 3.29Å; K287-E290 WeakPolarHBondContact CB-OE2 3.47Å; K287-E290 WeakPolarHBondContact CD-OE1 3.35Å; K287-E290 WeakPolarHBondContact CG-OE2 3.06Å; K287-E290 PolarHBondContact N-OE2 3.31Å; K287-E290 PolarHBondContact O-N 2.77Å; K287-E290 VanDerWaalsContact O-N 3.12Å; A288-E290 PolarHBondContact O-N 3.49Å; A288-E290 VanDerWaalsContact O-N 3.09Å; E290-I303 PolarHBondContact O-N 3.09Å; E290-I303 VanDerWaalsContact O-N 3.15Å
291G93.9Very high94.1Very high1 Ų153.5 Ų53.51%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-157.1172.9-176.300000114.3S273 L289 V301S273-G291 WeakPolarHBondContact CB-O 3.3Å; S273-G291 PolarHBondContact N-O 3.04Å; L289-G291 VanDerWaalsContact C-N 3.31Å; G291-V301 CarbonylContact C-O 3.56Å; G291-V301 WeakPolarHBondContact CA-O 3.38Å
292K94.9Very high94.2Very high53 Ų5348.6 Ų48.623%0.2322%0.224CC..EExtended strand (participates in β ladder)trans-113.6146.6177.4-56.6-160.8-176.6-140.70110.7W270 I271 E272 E300 V301 L306W270-K292 HydrophobicContact CB-CB 4.11Å; W270-K292 HydrophobicContact CB-CD 3.82Å; W270-K292 HydrophobicContact CD2-CB 4.41Å; W270-K292 HydrophobicContact CE3-CB 3.91Å; I271-K292 CarbonylContact O-C 3.5Å; I271-K292 VanDerWaalsContact O-CA 3.25Å; I271-K292 WeakPolarHBondContact O-CA 3.24Å; E272-K292 WeakPolarHBondContact OE1-CE 3.44Å; E272-K292 IonicContact OE1-NZ 3.18Å; E272-K292 PolarHBondContact OE1-NZ 2.8Å; K292-E300 CarbonylContact O-C 3.5Å; K292-E300 WeakPolarHBondContact O-CA 3.43Å; K292-V301 PolarHBondContact N-O 3.03Å; K292-V301 PolarHBondContact O-N 3.36Å; K292-L306 HydrophobicContact CD-CD2 4.29Å
293R94.9Very high94.2Very high51 Ų5151 Ų5119%0.19223%0.232CC..EExtended strand (participates in β ladder)trans-112133.3172.3-179.6-178.6-77.9148.2-17.3109.7I271 C275 S299 E300I271-R293 PolarHBondContact N-O 2.84Å; I271-R293 PolarHBondContact O-N 3.01Å; C275-R293 PolarHBondContact SG-NH1 3.17Å; C275-R293 PolarHBondContact SG-NH2 2.79Å; C275-R293 VanDerWaalsContact SG-NH2 3.38Å; R293-S299 WeakPolarHBondContact CA-O 3.47Å; R293-E300 HydrophobicContact CB-CG 4.15Å; R293-E300 HydrophobicContact CG-CG 4.24Å; R293-E300 IonicContact CZ-OE1 3Å; R293-E300 IonicContact NE-OE1 2.57Å; R293-E300 PolarHBondContact NE-OE1 3.41Å; R293-E300 IonicContact NH1-OE1 2.83Å; R293-E300 IonicContact NH2-OE1 2.58Å; R293-E300 PolarHBondContact NH2-OE1 2.82Å
294C96Very high94.1Very high0 Ų049.2 Ų49.20%024%0.236CC..EExtended strand (participates in β ladder)trans-76.9129.2171.5176.70000110.4H268 H269 W270 W296 C297 K298 S299H268-C294 HydrophobicContact CB-CB 4.42Å; H268-C294 WeakPolarHBondContact ND1-CB 3.26Å; H268-C294 PolarHBondContact ND1-SG 3.38Å; H269-C294 CarbonylContact O-C 3.56Å; H269-C294 VanDerWaalsContact O-CA 3.31Å; H269-C294 WeakPolarHBondContact O-CA 3.35Å; W270-C294 HydrophobicContact CD2-CB 4.39Å; W270-C294 HydrophobicContact CE3-CB 3.84Å; W270-C294 VanDerWaalsContact CE3-N 3.34Å; W270-C294 HydrophobicContact CH2-CB 3.96Å; W270-C294 HydrophobicContact CZ3-CB 3.61Å; C294-W296 VanDerWaalsContact C-N 3.28Å; C294-W296 PolarHBondContact O-N 3.04Å; C294-W296 PolarHBondContact SG-N 3.42Å; C294-C297 WeakPolarHBondContact CB-SG 3.28Å; C294-C297 VanDerWaalsContact SG-SG 3.64Å; C294-K298 WeakPolarHBondContact O-CA 3.39Å; C294-K298 PolarHBondContact O-N 3.26Å; C294-S299 PolarHBondContact N-O 3.3Å
295R95.4Very high94.1Very high2 Ų242.6 Ų42.61%0.00821%0.209CC..THydrogen-bonded Turntrans-63.6-29.7175.1170.451.3-169.771.73.7112.7F235 I253 H269 I271 K298 Q396 Y397 L399F235-R295 WeakPolarHBondContact O-CD 3.05Å; F235-R295 PolarHBondContact O-NE 3.41Å; I253-R295 HydrophobicContact CD1-CG 4.43Å; I253-R295 HydrophobicContact CG2-CB 4.06Å; I253-R295 HydrophobicContact CG2-CG 3.48Å; I253-R295 VanDerWaalsContact CG2-CG 3.48Å; H269-R295 HydrophobicContact CB-CB 4.27Å; H269-R295 PolarHBondContact O-N 3.3Å; I271-R295 HydrophobicContact CD1-CB 4.03Å; R295-K298 VanDerWaalsContact NH1-NZ 3.19Å; R295-K298 WeakPolarHBondContact O-CD 3.48Å; R295-K298 VanDerWaalsContact O-CE 3.31Å; R295-K298 WeakPolarHBondContact O-CE 3.48Å; R295-K298 PolarHBondContact O-NZ 2.83Å; R295-Q396 PolarHBondContact NH2-O 2.77Å; R295-Y397 PolarHBondContact NE-O 2.99Å; R295-Y397 PolarHBondContact NH1-O 3.18Å; R295-Y397 VanDerWaalsContact NH2-C 3.29Å; R295-Y397 PolarHBondContact NH2-O 3.42Å; R295-L399 PolarHBondContact NH2-O 3.34Å
296W95.9Very high94.1Very high8 Ų836.8 Ų36.83%0.0319%0.191CC..THydrogen-bonded Turntrans-86.8-67.6-176.8-61.6107.7000111.6I253 M266 C294 K298 L315 I322 P325 N400I253-W296 HydrophobicContact CB-CZ2 4.07Å; I253-W296 HydrophobicContact CD1-CH2 3.99Å; I253-W296 HydrophobicContact CD1-CZ2 3.91Å; I253-W296 HydrophobicContact CG2-CZ2 4.1Å; M266-W296 HydrophobicContact CE-CB 4.05Å; M266-W296 HydrophobicContact CE-CD2 3.57Å; M266-W296 VanDerWaalsContact CE-CE2 3.5Å; M266-W296 HydrophobicContact CE-CE3 4.49Å; M266-W296 HydrophobicContact CE-CG 3.28Å; M266-W296 HydrophobicContact CE-CZ2 4.35Å; C294-W296 VanDerWaalsContact C-N 3.28Å; C294-W296 PolarHBondContact O-N 3.04Å; C294-W296 PolarHBondContact SG-N 3.42Å; W296-K298 VanDerWaalsContact C-N 3.27Å; W296-K298 PolarHBondContact O-N 3.5Å; W296-L315 HydrophobicContact CB-CD2 3.91Å; W296-L315 HydrophobicContact CG-CD2 4.39Å; W296-I322 HydrophobicContact CE3-CG2 4.21Å; W296-I322 HydrophobicContact CZ3-CG2 4.23Å; W296-P325 HydrophobicContact CH2-CG 3.77Å; W296-P325 HydrophobicContact CZ2-CG 3.47Å; W296-P325 VanDerWaalsContact CZ2-CG 3.47Å; W296-N400 HydrophobicContact CH2-CB 4.3Å; W296-N400 HydrophobicContact CZ3-CB 4.23Å
297C95.7Very high94Very high8 Ų846.9 Ų46.95%0.05424%0.235CC..THydrogen-bonded Turntrans-75.3-9.1-178.168.50000115.6H268 C294 S299H268-C297 PolarHBondContact CE1-SG 3.07Å; H268-C297 PolarHBondContact ND1-SG 3.3Å; C294-C297 WeakPolarHBondContact CB-SG 3.28Å; C294-C297 VanDerWaalsContact SG-SG 3.64Å; C297-S299 PolarHBondContact O-N 2.95Å; C297-S299 VanDerWaalsContact O-N 3.15Å; C297-S299 PolarHBondContact SG-OG 3.06Å
298K94.5Very high93.9Very high53 Ų5342.6 Ų42.623%0.2323%0.228CC..  trans65.74.3-178.9-43.2-55.5-178.1-174.80115.5C294 R295 W296 Y397C294-K298 WeakPolarHBondContact O-CA 3.39Å; C294-K298 PolarHBondContact O-N 3.26Å; R295-K298 VanDerWaalsContact NH1-NZ 3.19Å; R295-K298 WeakPolarHBondContact O-CD 3.48Å; R295-K298 VanDerWaalsContact O-CE 3.31Å; R295-K298 WeakPolarHBondContact O-CE 3.48Å; R295-K298 PolarHBondContact O-NZ 2.83Å; W296-K298 VanDerWaalsContact C-N 3.27Å; W296-K298 PolarHBondContact O-N 3.5Å; K298-Y397 HydrophobicContact CD-CE1 4.18Å; K298-Y397 PolarHBondContact NZ-O 3.2Å
299S94.7Very high94Very high24 Ų2443 Ų4317%0.16823%0.225CC..  trans-64.3141.6176.6-60.50000111.8R293 C294 C297R293-S299 WeakPolarHBondContact CA-O 3.47Å; C294-S299 PolarHBondContact N-O 3.3Å; C297-S299 PolarHBondContact O-N 2.95Å; C297-S299 VanDerWaalsContact O-N 3.15Å; C297-S299 PolarHBondContact SG-OG 3.06Å
300E95.2Very high94.2Very high4 Ų446.5 Ų46.52%0.01924%0.244CC..EExtended strand (participates in β ladder)trans-102.7143.3170.4-68.2-166.6-177.900111S273 C275 D277 C279 L280 V286 K292 R293S273-E300 PolarHBondContact OG-OE1 3.19Å; C275-E300 VanDerWaalsContact CB-OE1 3.32Å; C275-E300 WeakPolarHBondContact CB-OE1 3.46Å; D277-E300 WeakPolarHBondContact CA-OE2 3.33Å; D277-E300 HydrophobicContact CB-CB 4.43Å; D277-E300 HydrophobicContact CB-CG 4.02Å; D277-E300 WeakPolarHBondContact CB-OE2 3.32Å; D277-E300 PolarHBondContact N-OE2 2.98Å; C279-E300 CarbonylContact C-O 3.46Å; C279-E300 WeakPolarHBondContact CA-O 3.21Å; L280-E300 PolarHBondContact N-O 3.28Å; V286-E300 HydrophobicContact CG2-CB 4.44Å; K292-E300 CarbonylContact O-C 3.5Å; K292-E300 WeakPolarHBondContact O-CA 3.43Å; R293-E300 HydrophobicContact CB-CG 4.15Å; R293-E300 HydrophobicContact CG-CG 4.24Å; R293-E300 IonicContact CZ-OE1 3Å; R293-E300 IonicContact NE-OE1 2.57Å; R293-E300 PolarHBondContact NE-OE1 3.41Å; R293-E300 IonicContact NH1-OE1 2.83Å; R293-E300 IonicContact NH2-OE1 2.58Å; R293-E300 PolarHBondContact NH2-OE1 2.82Å
301V96Very high94.1Very high0 Ų046.6 Ų46.60%025%0.253CS..EExtended strand (participates in β ladder)trans-144134.8178.9-172.70000108.9W270 L280 G291 K292 C305 M309W270-V301 HydrophobicContact CH2-CB 4.44Å; W270-V301 HydrophobicContact CH2-CG2 3.64Å; W270-V301 HydrophobicContact CZ3-CB 4.42Å; W270-V301 HydrophobicContact CZ3-CG2 3.93Å; L280-V301 HydrophobicContact CB-CG2 4.28Å; G291-V301 CarbonylContact C-O 3.56Å; G291-V301 WeakPolarHBondContact CA-O 3.38Å; K292-V301 PolarHBondContact N-O 3.03Å; K292-V301 PolarHBondContact O-N 3.36Å; V301-C305 HydrophobicContact CG1-CB 3.46Å; V301-C305 VanDerWaalsContact CG1-CB 3.46Å; V301-M309 HydrophobicContact CG1-CG 3.77Å; V301-M309 HydrophobicContact CG1-SD 4.11Å; V301-M309 HydrophobicContact CG2-CE 3.8Å; V301-M309 HydrophobicContact CG2-CG 4.06Å; V301-M309 HydrophobicContact CG2-SD 3.75Å
302H96Very high94.1Very high25 Ų2552.6 Ų52.612%0.11628%0.279CS..EExtended strand (participates in β ladder)trans-58.7150.5170.6-65.1101.6000111.3C279 C282 K284 R285 C304 C305 L306C279-H302 VanDerWaalsContact CB-CE1 3.49Å; C279-H302 WeakPolarHBondContact CB-CE1 3.29Å; C279-H302 WeakPolarHBondContact CB-ND1 3.18Å; C279-H302 PolarHBondContact SG-ND1 3.04Å; C279-H302 VanDerWaalsContact SG-ND1 3.39Å; C282-H302 VanDerWaalsContact SG-CE1 3.58Å; C282-H302 PolarHBondContact SG-ND1 3.37Å; C282-H302 VanDerWaalsContact SG-ND1 3.37Å; K284-H302 PolarHBondContact O-CE1 3.18Å; R285-H302 PolarHBondContact O-CE1 2.77Å; R285-H302 PolarHBondContact O-NE2 2.74Å; H302-C304 VanDerWaalsContact C-N 3.27Å; H302-C304 PolarHBondContact O-N 2.83Å; H302-C305 HydrophobicContact CB-CB 4.01Å; H302-C305 WeakPolarHBondContact O-CA 3.21Å; H302-C305 WeakPolarHBondContact O-CB 3.26Å; H302-C305 PolarHBondContact O-N 2.75Å; H302-L306 PolarHBondContact O-N 3.15Å
303I94.5Very high94.1Very high97 Ų9750.2 Ų50.250%0.49727%0.269SS..G310 helixtrans-54.9-44.5177-65.8167.5000111.1E290 C305 L306E290-I303 PolarHBondContact O-N 3.09Å; E290-I303 VanDerWaalsContact O-N 3.15Å; I303-C305 VanDerWaalsContact C-N 3.27Å; I303-C305 PolarHBondContact O-N 3.49Å; I303-L306 WeakPolarHBondContact O-CB 3.31Å; I303-L306 PolarHBondContact O-N 3.41Å
304C95.1Very high94.1Very high104 Ų10453.3 Ų53.370%0.70329%0.289SS*.G310 helixtrans-66.4-26.9177.263.10000113.6H302H302-C304 VanDerWaalsContact C-N 3.27Å; H302-C304 PolarHBondContact O-N 2.83Å
305C95.5Very high94.1Very high14 Ų1454.2 Ų54.210%0.09529%0.294CS..G310 helixtrans-81.1-17.3-179.2-74.50000112.5R281 V301 H302 I303 K307 G308R281-C305 HydrophobicContact CB-CB 4.22Å; R281-C305 VanDerWaalsContact CD-O 3.25Å; R281-C305 WeakPolarHBondContact CD-O 3.39Å; R281-C305 PolarHBondContact NH1-O 3.3Å; V301-C305 HydrophobicContact CG1-CB 3.46Å; V301-C305 VanDerWaalsContact CG1-CB 3.46Å; H302-C305 HydrophobicContact CB-CB 4.01Å; H302-C305 WeakPolarHBondContact O-CA 3.21Å; H302-C305 WeakPolarHBondContact O-CB 3.26Å; H302-C305 PolarHBondContact O-N 2.75Å; I303-C305 VanDerWaalsContact C-N 3.27Å; I303-C305 PolarHBondContact O-N 3.49Å; C305-K307 VanDerWaalsContact C-N 3.34Å; C305-K307 PolarHBondContact O-N 3.04Å; C305-G308 PolarHBondContact O-N 3.26Å
306L94.1Very high94.1Very high50 Ų5055.2 Ų55.226%0.26231%0.305SS..G310 helixtrans-61.6-36.4-173.8-165.266.9000113.4W270 K292 H302 I303 G308 M309W270-L306 HydrophobicContact CD2-CD1 3.97Å; W270-L306 HydrophobicContact CG-CD1 4.35Å; W270-L306 HydrophobicContact CH2-CD1 4.49Å; W270-L306 HydrophobicContact CZ2-CD1 3.93Å; K292-L306 HydrophobicContact CD-CD2 4.29Å; H302-L306 PolarHBondContact O-N 3.15Å; I303-L306 WeakPolarHBondContact O-CB 3.31Å; I303-L306 PolarHBondContact O-N 3.41Å; L306-G308 PolarHBondContact O-N 3.46Å; L306-G308 VanDerWaalsContact O-N 3.08Å; L306-M309 WeakPolarHBondContact O-CB 3.38Å; L306-M309 PolarHBondContact O-N 2.94Å; L306-M309 VanDerWaalsContact O-N 3.07Å
307K91.3Very high94Very high212 Ų21262.7 Ų62.792%0.92234%0.338SS*.G310 helixtrans-61.1-18.8-178.5-69.1-171.8179.4-1760114.8C305C305-K307 VanDerWaalsContact C-N 3.34Å; C305-K307 PolarHBondContact O-N 3.04Å
308G89.6Confident94.1Very high41 Ų4162.7 Ų62.742%0.42334%0.337SS..G310 helixtrans-11723.817700000113.3R281 C305 L306R281-G308 VanDerWaalsContact CZ-CA 3.5Å; R281-G308 PolarHBondContact NE-O 3.46Å; C305-G308 PolarHBondContact O-N 3.26Å; L306-G308 PolarHBondContact O-N 3.46Å; L306-G308 VanDerWaalsContact O-N 3.08Å
309M91.8Very high94.1Very high40 Ų4061.7 Ų61.720%0.19734%0.339CS..SBendtrans-89.7148.9168.5-73.4-70.7-58.300110.1W270 L280 R281 V301 L306W270-M309 HydrophobicContact CH2-CE 4.21Å; W270-M309 HydrophobicContact CZ2-CE 4.38Å; L280-M309 HydrophobicContact CD2-CE 3.88Å; R281-M309 HydrophobicContact CB-SD 4.08Å; V301-M309 HydrophobicContact CG1-CG 3.77Å; V301-M309 HydrophobicContact CG1-SD 4.11Å; V301-M309 HydrophobicContact CG2-CE 3.8Å; V301-M309 HydrophobicContact CG2-CG 4.06Å; V301-M309 HydrophobicContact CG2-SD 3.75Å; L306-M309 WeakPolarHBondContact O-CB 3.38Å; L306-M309 PolarHBondContact O-N 2.94Å; L306-M309 VanDerWaalsContact O-N 3.07Å
310D90.8Very high94.2Very high106 Ų10663.6 Ų63.657%0.56734%0.343SS*.  trans-61.8140.5164.3-169.1-5.2000109.8H268 K312H268-D310 PolarHBondContact CD2-O 3.36Å; D310-K312 VanDerWaalsContact C-N 3.32Å; D310-K312 PolarHBondContact OD1-N 2.71Å
311S89.7Confident94.4Very high85 Ų8563.4 Ų63.459%0.59434%0.342SS*.SBendtrans-73.8-27.5173.165.80000111.7V267 H268 C313V267-S311 WeakPolarHBondContact CA-O 3.43Å; H268-S311 PolarHBondContact CD2-O 3.04Å; H268-S311 PolarHBondContact N-O 2.84Å; H268-S311 VanDerWaalsContact N-O 3.17Å; S311-C313 PolarHBondContact O-N 2.57Å
312K93.9Very high94.4Very high127 Ų12763.4 Ų63.455%0.55234%0.342SS*.BIsolated β-bridgetrans-74.7122.5-179.7-174.3178.8-179.5177.30111.3V265 M266 H268 D310V265-K312 HydrophobicContact CG1-CG 4.26Å; M266-K312 CarbonylContact O-C 3.52Å; M266-K312 WeakPolarHBondContact O-CA 3.47Å; H268-K312 PolarHBondContact NE2-O 2.78Å; D310-K312 VanDerWaalsContact C-N 3.32Å; D310-K312 PolarHBondContact OD1-N 2.71Å
313C95.2Very high94.4Very high4 Ų462.2 Ų62.23%0.02734%0.337CS..  trans-87.9126174.5-169.90000111.2M266 H268 S311 L315M266-C313 HydrophobicContact CG-CB 4Å; M266-C313 PolarHBondContact O-N 2.75Å; H268-C313 HydrophobicContact CB-CB 4.4Å; S311-C313 PolarHBondContact O-N 2.57Å; C313-L315 VanDerWaalsContact C-N 3.27Å; C313-L315 PolarHBondContact O-N 2.71Å; C313-L315 PolarHBondContact SG-N 3.05Å
314N94.5Very high94.4Very high115 Ų11557.9 Ų57.962%0.61532%0.315SS*.  trans-85.211175.370.1-4.6000114.4G316 A319N314-G316 PolarHBondContact O-N 3.24Å; N314-G316 PolarHBondContact OD1-N 3.46Å; N314-G316 VanDerWaalsContact OD1-N 3.07Å; N314-A319 WeakPolarHBondContact O-CB 3.36Å
315L95.8Very high94.3Very high20 Ų2053.3 Ų53.311%0.10528%0.284CS..  trans59.3-2.3-176.7-55.7174.2000116M266 W296 C313 A319 I322 P324M266-L315 HydrophobicContact CE-CD2 4.01Å; M266-L315 HydrophobicContact CG-CD2 3.74Å; M266-L315 HydrophobicContact CG-CG 4.43Å; M266-L315 HydrophobicContact SD-CD2 4.25Å; W296-L315 HydrophobicContact CB-CD2 3.91Å; W296-L315 HydrophobicContact CG-CD2 4.39Å; C313-L315 VanDerWaalsContact C-N 3.27Å; C313-L315 PolarHBondContact O-N 2.71Å; C313-L315 PolarHBondContact SG-N 3.05Å; L315-A319 HydrophobicContact CB-CB 3.76Å; L315-I322 HydrophobicContact CB-CD1 4.28Å; L315-I322 HydrophobicContact CD1-CB 4.33Å; L315-I322 HydrophobicContact CD1-CG2 4.17Å; L315-I322 HydrophobicContact CD2-CG2 4.17Å; L315-P324 HydrophobicContact CD1-CB 4.21Å; L315-P324 HydrophobicContact CD1-CG 4.39Å
316G95.5Very high94.2Very high23 Ų2353.9 Ų53.924%0.23729%0.287CS..G310 helixtrans66.4-149.317200000114.5N314 L318 A319N314-G316 PolarHBondContact O-N 3.24Å; N314-G316 PolarHBondContact OD1-N 3.46Å; N314-G316 VanDerWaalsContact OD1-N 3.07Å; G316-L318 PolarHBondContact O-N 3.36Å; G316-A319 WeakPolarHBondContact O-CB 3.21Å; G316-A319 PolarHBondContact O-N 3.06Å; G316-A319 VanDerWaalsContact O-N 3.1Å
317K95Very high94.1Very high164 Ų16451.9 Ų51.971%0.71328%0.278SS*.G310 helixtrans-65.7-10.1-168.9-63.8178-178.1172.20115.3
318L96.5Very high93.9Very high8 Ų841.8 Ų41.84%0.04223%0.234CC..G310 helixtrans-120.217.2179.7-64.4178.2000111.6G316 Y320 H321 I322 L398 M485 L488G316-L318 PolarHBondContact O-N 3.36Å; L318-Y320 PolarHBondContact O-N 3.09Å; L318-Y320 VanDerWaalsContact O-N 3.09Å; L318-H321 PolarHBondContact O-N 3.31Å; L318-I322 HydrophobicContact CB-CD1 3.9Å; L318-I322 HydrophobicContact CB-CG1 4.25Å; L318-I322 WeakPolarHBondContact O-CG1 3.47Å; L318-I322 PolarHBondContact O-N 3.08Å; L318-L398 HydrophobicContact CD1-CB 4.01Å; L318-L398 HydrophobicContact CD1-CD2 4.21Å; L318-L398 HydrophobicContact CD1-CG 4.49Å; L318-M485 HydrophobicContact CD1-CE 3.94Å; L318-M485 HydrophobicContact CD1-SD 3.86Å; L318-M485 HydrophobicContact CD2-CE 3.88Å; L318-M485 HydrophobicContact CG-CE 3.85Å; L318-M485 HydrophobicContact CG-SD 4.42Å; L318-L488 HydrophobicContact CD1-CD1 3.79Å; L318-L488 HydrophobicContact CD2-CB 3.8Å; L318-L488 HydrophobicContact CD2-CD1 4.06Å
319A96.4Very high93.5Very high33 Ų3340.7 Ų40.727%0.27322%0.219SC..THydrogen-bonded Turntrans-50.2-36.9179.800000112.9N314 L315 G316 H321 I322 C372N314-A319 WeakPolarHBondContact O-CB 3.36Å; L315-A319 HydrophobicContact CB-CB 3.76Å; G316-A319 WeakPolarHBondContact O-CB 3.21Å; G316-A319 PolarHBondContact O-N 3.06Å; G316-A319 VanDerWaalsContact O-N 3.1Å; A319-H321 VanDerWaalsContact C-N 3.25Å; A319-H321 PolarHBondContact O-N 2.88Å; A319-I322 PolarHBondContact O-N 2.9Å; A319-C372 PolarHBondContact O-SG 3.07Å
320Y96.9Very high92.4Very high63 Ų6339.4 Ų39.425%0.24721%0.213CC..THydrogen-bonded Turntrans-57.4-33.4176.1-176.2-97.1000113.8L318 C372 R373 E492L318-Y320 PolarHBondContact O-N 3.09Å; L318-Y320 VanDerWaalsContact O-N 3.09Å; Y320-C372 PolarHBondContact O-SG 3.13Å; Y320-C372 VanDerWaalsContact O-SG 3.38Å; Y320-R373 HydrophobicContact CE1-CB 3.87Å; Y320-R373 HydrophobicContact CE2-CB 4.01Å; Y320-R373 CarbonylContact O-C 3.49Å; Y320-R373 VanDerWaalsContact O-C 3.28Å; Y320-R373 PolarHBondContact O-N 2.92Å; Y320-R373 VanDerWaalsContact O-O 3.1Å; Y320-E492 HydrophobicContact CD1-CB 3.78Å; Y320-E492 HydrophobicContact CD1-CG 3.71Å; Y320-E492 HydrophobicContact CD2-CG 4.22Å; Y320-E492 HydrophobicContact CE1-CB 4.04Å; Y320-E492 HydrophobicContact CE1-CG 4.07Å; Y320-E492 HydrophobicContact CG-CB 4.34Å; Y320-E492 HydrophobicContact CG-CG 3.78Å
321H98Very high91.2Very high0 Ų035.1 Ų35.10%019%0.193CC..THydrogen-bonded Turntrans-99.8-18.7-174.7-61.6-68.6000114L318 A319 L375 L399 Q403 L488L318-H321 PolarHBondContact O-N 3.31Å; A319-H321 VanDerWaalsContact C-N 3.25Å; A319-H321 PolarHBondContact O-N 2.88Å; H321-L375 HydrophobicContact CB-CB 3.97Å; H321-L375 PolarHBondContact O-N 3.4Å; H321-L399 HydrophobicContact CB-CD2 3.85Å; H321-Q403 PolarHBondContact O-NE2 3.48Å; H321-L488 PolarHBondContact CE1-O 2.9Å; H321-L488 VanDerWaalsContact CE1-O 3.3Å; H321-L488 PolarHBondContact NE2-O 3.16Å
322I97.3Very high89.4Confident1 Ų136 Ų361%0.00520%0.195CC..  trans-86.2122.8-170.6-66.9164.9000109.7W296 L315 L318 A319 P324 C372 L399W296-I322 HydrophobicContact CE3-CG2 4.21Å; W296-I322 HydrophobicContact CZ3-CG2 4.23Å; L315-I322 HydrophobicContact CB-CD1 4.28Å; L315-I322 HydrophobicContact CD1-CB 4.33Å; L315-I322 HydrophobicContact CD1-CG2 4.17Å; L315-I322 HydrophobicContact CD2-CG2 4.17Å; L318-I322 HydrophobicContact CB-CD1 3.9Å; L318-I322 HydrophobicContact CB-CG1 4.25Å; L318-I322 WeakPolarHBondContact O-CG1 3.47Å; L318-I322 PolarHBondContact O-N 3.08Å; A319-I322 PolarHBondContact O-N 2.9Å; I322-P324 VanDerWaalsContact O-CD 3.27Å; I322-P324 WeakPolarHBondContact O-CD 3.34Å; I322-C372 PolarHBondContact O-SG 3.12Å; I322-C372 VanDerWaalsContact O-SG 3.36Å; I322-L399 HydrophobicContact CG1-CD2 4.07Å
323L95.3Very high87.5Confident0 Ų032.4 Ų32.40%018%0.181CC..  trans-82.9107164-175.559.4000108.7A327 I328 I366 P374 N400 Q403 F419L323-A327 HydrophobicContact CD1-CB 3.67Å; L323-A327 HydrophobicContact CG-CB 4.47Å; L323-I328 HydrophobicContact CD2-CD1 3.53Å; L323-I328 HydrophobicContact CD2-CG1 3.63Å; L323-I328 HydrophobicContact CG-CD1 3.82Å; L323-I328 HydrophobicContact CG-CG1 3.75Å; L323-I366 HydrophobicContact CD1-CG2 3.77Å; L323-I366 HydrophobicContact CD2-CD1 4.11Å; L323-I366 HydrophobicContact CD2-CG1 4.49Å; L323-I366 HydrophobicContact CD2-CG2 3.77Å; L323-I366 HydrophobicContact CG-CG2 4.41Å; L323-P374 HydrophobicContact CB-CB 4.1Å; L323-P374 HydrophobicContact CB-CG 4.18Å; L323-P374 HydrophobicContact CD1-CG 3.92Å; L323-N400 WeakPolarHBondContact O-CB 3.26Å; L323-N400 PolarHBondContact O-ND2 3.17Å; L323-Q403 HydrophobicContact CB-CG 4.07Å; L323-F419 HydrophobicContact CD2-CE1 4.42Å; L323-F419 HydrophobicContact CD2-CZ 3.79Å
324P95.2Very high85.6Confident5 Ų532.9 Ų32.93%0.03218%0.184CC..  trans-66149.5-177.327.1-33.8000110.9M266 L315 I322 T326 A327 P369M266-P324 HydrophobicContact SD-CB 3.85Å; L315-P324 HydrophobicContact CD1-CB 4.21Å; L315-P324 HydrophobicContact CD1-CG 4.39Å; I322-P324 VanDerWaalsContact O-CD 3.27Å; I322-P324 WeakPolarHBondContact O-CD 3.34Å; P324-T326 PolarHBondContact O-N 3.3Å; P324-T326 VanDerWaalsContact O-N 3.12Å; P324-A327 HydrophobicContact CG-CB 3.8Å; P324-A327 WeakPolarHBondContact O-CB 3.05Å; P324-A327 PolarHBondContact O-N 2.82Å; P324-P369 HydrophobicContact CG-CG 3.65Å
325P92.7Very high83.6Confident9 Ų932 Ų326%0.05818%0.178CC..G310 helixtrans-52.2-34.5174.2-28.436000113.3S254 Y256 S257 W296 A327 I328S254-P325 WeakPolarHBondContact O-CG 3.5Å; Y256-P325 CarbonylContact C-O 3.58Å; Y256-P325 WeakPolarHBondContact CA-O 3.48Å; S257-P325 PolarHBondContact N-O 2.97Å; W296-P325 HydrophobicContact CH2-CG 3.77Å; W296-P325 HydrophobicContact CZ2-CG 3.47Å; W296-P325 VanDerWaalsContact CZ2-CG 3.47Å; P325-A327 PolarHBondContact O-N 3.25Å; P325-A327 VanDerWaalsContact O-N 3.14Å; P325-I328 PolarHBondContact O-N 3.02Å; P325-I328 VanDerWaalsContact O-N 3.12Å
326T92.4Very high80.9Confident25 Ų2538.9 Ų38.915%0.15320%0.204CC..G310 helixtrans-65.4-13178.961.90000114.1D262 M266 P324D262-T326 VanDerWaalsContact O-CG2 3.32Å; D262-T326 WeakPolarHBondContact O-CG2 3.34Å; M266-T326 HydrophobicContact SD-CG2 4.15Å; P324-T326 PolarHBondContact O-N 3.3Å; P324-T326 VanDerWaalsContact O-N 3.12Å
327A92Very high78.8Confident8 Ų840.8 Ų40.87%0.06621%0.207CC..G310 helixtrans-99.5-2.1178.300000113.3L323 P324 P325 I366 E367 P369L323-A327 HydrophobicContact CD1-CB 3.67Å; L323-A327 HydrophobicContact CG-CB 4.47Å; P324-A327 HydrophobicContact CG-CB 3.8Å; P324-A327 WeakPolarHBondContact O-CB 3.05Å; P324-A327 PolarHBondContact O-N 2.82Å; P325-A327 PolarHBondContact O-N 3.25Å; P325-A327 VanDerWaalsContact O-N 3.14Å; A327-I366 WeakPolarHBondContact O-CA 3.25Å; A327-E367 WeakPolarHBondContact CB-O 3.34Å; A327-E367 PolarHBondContact O-N 3.5Å; A327-E367 VanDerWaalsContact O-N 3.1Å; A327-P369 HydrophobicContact CB-CG 4.31Å
328I88.1Confident76.8Confident0 Ų040.9 Ų40.90%020%0.203CC..EExtended strand (participates in β ladder)trans-115.8114.3-178.2-51.2-177000107.8Y256 S257 L323 P325 F364 R402 M418Y256-I328 WeakPolarHBondContact CB-O 3.25Å; S257-I328 WeakPolarHBondContact CB-O 3.41Å; S257-I328 PolarHBondContact N-O 2.99Å; L323-I328 HydrophobicContact CD2-CD1 3.53Å; L323-I328 HydrophobicContact CD2-CG1 3.63Å; L323-I328 HydrophobicContact CG-CD1 3.82Å; L323-I328 HydrophobicContact CG-CG1 3.75Å; P325-I328 PolarHBondContact O-N 3.02Å; P325-I328 VanDerWaalsContact O-N 3.12Å; I328-F364 HydrophobicContact CG2-CB 3.83Å; I328-F364 HydrophobicContact CG2-CD1 3.41Å; I328-F364 VanDerWaalsContact CG2-CD1 3.41Å; I328-F364 HydrophobicContact CG2-CD2 4.37Å; I328-F364 HydrophobicContact CG2-CE1 4.04Å; I328-F364 HydrophobicContact CG2-CG 3.61Å; I328-R402 HydrophobicContact CD1-CB 4.36Å; I328-M418 HydrophobicContact CD1-CE 4.22Å; I328-M418 HydrophobicContact CG2-CE 4.04Å
329V79.6Confident74.4Confident18 Ų1847.5 Ų47.511%0.10923%0.227CC..EExtended strand (participates in β ladder)trans-125129.8-178-175.10000109.8T263 A331 L333 V334 F364 D365T263-V329 HydrophobicContact CG2-CG2 3.83Å; V329-A331 PolarHBondContact O-N 2.71Å; V329-L333 HydrophobicContact CG1-CB 4.37Å; V329-V334 HydrophobicContact CB-CG2 4.34Å; V329-V334 HydrophobicContact CG1-CG2 3.88Å; V329-F364 CarbonylContact O-C 3.54Å; V329-F364 WeakPolarHBondContact O-CA 3.27Å; V329-D365 PolarHBondContact N-O 3.44Å; V329-D365 PolarHBondContact O-N 3.03Å
330P70.5Confident71.8Confident13 Ų1354 Ų548%0.08425%0.25CC..EExtended strand (participates in β ladder)trans-55.3127.9172.8-25.231.7000111.8Y256 S257 V332 L333 V334 F364Y256-P330 HydrophobicContact CD2-CG 3.8Å; Y256-P330 HydrophobicContact CE2-CG 3.73Å; S257-P330 VanDerWaalsContact O-CD 3.24Å; S257-P330 WeakPolarHBondContact O-CD 3.31Å; P330-V332 HydrophobicContact CB-CG1 4.12Å; P330-V332 PolarHBondContact O-N 3.26Å; P330-V332 VanDerWaalsContact O-N 3.16Å; P330-L333 HydrophobicContact CB-CD1 4.27Å; P330-L333 HydrophobicContact CB-CG 4.32Å; P330-L333 HydrophobicContact CG-CD1 4.09Å; P330-L333 WeakPolarHBondContact O-CB 3.38Å; P330-L333 PolarHBondContact O-N 2.91Å; P330-V334 PolarHBondContact O-N 2.84Å; P330-F364 HydrophobicContact CG-CD1 4.36Å; P330-F364 HydrophobicContact CG-CE1 4.06Å
331A65Low69.8Low17 Ų1755 Ų5514%0.1427%0.271CS..Hα-helixtrans-61.2-29.3-175.600000112.8V329 L333 V334 L335 S363V329-A331 PolarHBondContact O-N 2.71Å; A331-L333 PolarHBondContact O-N 3.41Å; A331-V334 WeakPolarHBondContact O-CB 3.45Å; A331-V334 PolarHBondContact O-N 3.27Å; A331-L335 WeakPolarHBondContact O-CG 3.5Å; A331-L335 PolarHBondContact O-N 3.41Å; A331-S363 WeakPolarHBondContact CB-O 3.43Å; A331-S363 VanDerWaalsContact CB-OG 3.25Å; A331-S363 WeakPolarHBondContact CB-OG 3.5Å; A331-S363 PolarHBondContact N-O 2.92Å
332V52.6Low67.6Low104 Ų10461 Ų6163%0.6330%0.303SS*.Hα-helixtrans-57.1-38174.366.10000112.1P330 Y336P330-V332 HydrophobicContact CB-CG1 4.12Å; P330-V332 PolarHBondContact O-N 3.26Å; P330-V332 VanDerWaalsContact O-N 3.16Å; V332-Y336 VanDerWaalsContact O-CB 3.29Å; V332-Y336 WeakPolarHBondContact O-CB 3.37Å; V332-Y336 PolarHBondContact O-N 3.34Å
333L53.1Low65.1Low51 Ų5164.1 Ų64.127%0.26734%0.336SS..Hα-helixtrans-70.5-35.2176.4-63.8176.8000111.5K258 V329 P330 A331 Q337K258-L333 WeakPolarHBondContact O-CD1 3.36Å; V329-L333 HydrophobicContact CG1-CB 4.37Å; P330-L333 HydrophobicContact CB-CD1 4.27Å; P330-L333 HydrophobicContact CB-CG 4.32Å; P330-L333 HydrophobicContact CG-CD1 4.09Å; P330-L333 WeakPolarHBondContact O-CB 3.38Å; P330-L333 PolarHBondContact O-N 2.91Å; A331-L333 PolarHBondContact O-N 3.41Å; L333-Q337 WeakPolarHBondContact O-CB 3.27Å; L333-Q337 WeakPolarHBondContact O-CG 3.42Å; L333-Q337 PolarHBondContact O-N 3.13Å
334V55.9Low62.4Low14 Ų1472.2 Ų72.29%0.08537%0.371CS..Hα-helixtrans-68.6-45.8176.9-1780000110.9V329 P330 A331 Q337 R338 D365V329-V334 HydrophobicContact CB-CG2 4.34Å; V329-V334 HydrophobicContact CG1-CG2 3.88Å; P330-V334 PolarHBondContact O-N 2.84Å; A331-V334 WeakPolarHBondContact O-CB 3.45Å; A331-V334 PolarHBondContact O-N 3.27Å; V334-Q337 PolarHBondContact O-N 3.3Å; V334-R338 PolarHBondContact O-N 2.76Å; V334-D365 HydrophobicContact CG2-CB 3.92Å
335L52.3Low59.6Low95 Ų9580.9 Ų80.950%0.49741%0.411SS..Hα-helixtrans-66-47.8-179.6-70.3174.3000112.3A331 Q337 R338 R339A331-L335 WeakPolarHBondContact O-CG 3.5Å; A331-L335 PolarHBondContact O-N 3.41Å; L335-Q337 PolarHBondContact O-N 3.09Å; L335-R338 PolarHBondContact O-N 3.49Å; L335-R339 WeakPolarHBondContact O-CG 3.26Å; L335-R339 PolarHBondContact O-N 2.82Å; L335-R339 VanDerWaalsContact O-N 3.13Å
336Y39.3Very low57.1Low165 Ų16585.2 Ų85.265%0.64745%0.448SS*.Hα-helixtrans-56.2-39.2177.3-179.2-105.1000111.5V332 K340V332-Y336 VanDerWaalsContact O-CB 3.29Å; V332-Y336 WeakPolarHBondContact O-CB 3.37Å; V332-Y336 PolarHBondContact O-N 3.34Å; Y336-K340 PolarHBondContact O-N 3.49Å
337Q49.7Very low54.3Low64 Ų6489.1 Ų89.130%0.29948%0.476SS..Hα-helixtrans-80.5-36.2-178.8-67.9174.58.800113.9L333 V334 L335 R339 K340 A341L333-Q337 WeakPolarHBondContact O-CB 3.27Å; L333-Q337 WeakPolarHBondContact O-CG 3.42Å; L333-Q337 PolarHBondContact O-N 3.13Å; V334-Q337 PolarHBondContact O-N 3.3Å; L335-Q337 PolarHBondContact O-N 3.09Å; Q337-R339 PolarHBondContact O-N 2.83Å; Q337-K340 PolarHBondContact O-N 3.27Å; Q337-K340 VanDerWaalsContact O-N 3.16Å; Q337-A341 PolarHBondContact O-N 3.04Å
338R54.8Low51.7Low165 Ų16593.8 Ų93.862%0.62351%0.508SS*.Hα-helixtrans-59.6-37171.3-84.3-174.7-178.7166.54.5111.5V334 L335 A341 N342V334-R338 PolarHBondContact O-N 2.76Å; L335-R338 PolarHBondContact O-N 3.49Å; R338-A341 PolarHBondContact O-N 2.79Å; R338-N342 WeakPolarHBondContact O-CB 3.18Å; R338-N342 PolarHBondContact O-N 3.34Å
339R45.3Very low49.2Very low147 Ų14799.6 Ų99.656%0.55554%0.543SS*.Hα-helixtrans-64.1-41.4173.7-72.4178.7179.4170.90112.4L335 Q337 N342 G343L335-R339 WeakPolarHBondContact O-CG 3.26Å; L335-R339 PolarHBondContact O-N 2.82Å; L335-R339 VanDerWaalsContact O-N 3.13Å; Q337-R339 PolarHBondContact O-N 2.83Å; R339-N342 PolarHBondContact O-N 3.44Å; R339-G343 PolarHBondContact O-N 3.39Å
340K41.5Very low46.9Very low171 Ų171103.8 Ų103.874%0.74357%0.571SS**Hα-helixtrans-65.5-38.4175.6-165.9173.8-178.7174.40112.7Y336 Q337Y336-K340 PolarHBondContact O-N 3.49Å; Q337-K340 PolarHBondContact O-N 3.27Å; Q337-K340 VanDerWaalsContact O-N 3.16Å
341A54.4Low44.8Very low84 Ų84107.6 Ų107.669%0.69460%0.603SS**Hα-helixtrans-70.9-35.9177.500000113.2Q337 R338 G343Q337-A341 PolarHBondContact O-N 3.04Å; R338-A341 PolarHBondContact O-N 2.79Å; A341-G343 VanDerWaalsContact C-N 3.34Å; A341-G343 PolarHBondContact O-N 3.16Å
342N51.6Low43.2Very low124 Ų124112 Ų11266%0.66363%0.629SS**THydrogen-bonded Turntrans-87.56.5-179-76.6-1.1000114.4R338 R339 K344R338-N342 WeakPolarHBondContact O-CB 3.18Å; R338-N342 PolarHBondContact O-N 3.34Å; R339-N342 PolarHBondContact O-N 3.44Å; N342-K344 PolarHBondContact O-N 2.76Å
343G45.7Very low42Very low68 Ų68112.2 Ų112.270%0.70163%0.634SS**THydrogen-bonded Turntrans62.313.1172.800000116.3R339 A341R339-G343 PolarHBondContact O-N 3.39Å; A341-G343 VanDerWaalsContact C-N 3.34Å; A341-G343 PolarHBondContact O-N 3.16Å
344K38.3Very low40.6Very low169 Ų169117.6 Ų117.674%0.73566%0.663SS**  trans-90.2117.7-179.4-68.6-172179.3-175.90110.5N342N342-K344 PolarHBondContact O-N 2.76Å
345Q36.3Very low39.2Very low187 Ų187118.9 Ų118.987%0.87468%0.679SS**  trans-58.9149.8174.5-70.8-176.48.300111.4S347Q345-S347 VanDerWaalsContact C-N 3.34Å; Q345-S347 PolarHBondContact O-N 3.13Å
346A39.6Very low38.2Very low101 Ų101120.4 Ų120.484%0.83570%0.695SS**  trans-71.179.7-175.300000112.1
347S35.5Very low37.7Very low106 Ų106122.4 Ų122.474%0.74171%0.707SS**  trans-83.9121.4163.657.70000109.7Q345Q345-S347 VanDerWaalsContact C-N 3.34Å; Q345-S347 PolarHBondContact O-N 3.13Å
348S36.7Very low36.6Very low107 Ų107122.7 Ų122.775%0.74872%0.717SS**  trans11.4119.7166.257.70000118.1
349V36.4Very low35.6Very low122 Ų122120.1 Ų120.174%0.73972%0.721SS**  trans-51.6125.7166.9-143.10000109.4A351V349-A351 PolarHBondContact O-N 2.8Å
350P30Very low35Very low105 Ų105118.9 Ų118.968%0.68274%0.735SS**  trans-64.8124.8164.1-12.226.4000107.1V352P350-V352 PolarHBondContact O-N 3.49Å
351A27.8Very low34.9Very low93 Ų93116.2 Ų116.277%0.76973%0.728SS**  trans-54.7103.9169.500000107.9V349 S353V349-A351 PolarHBondContact O-N 2.8Å; A351-S353 PolarHBondContact O-N 2.9Å
352V31.3Very low34.6Very low111 Ų111117.5 Ų117.567%0.67372%0.719SS**  trans-64.6116.5168.41770000105.1P350 N354P350-V352 PolarHBondContact O-N 3.49Å; V352-N354 PolarHBondContact O-N 3.3Å
353S26.7Very low35.2Very low107 Ų107115.1 Ų115.175%0.74871%0.712SS**  trans-37.4124.6-175.7-51.20000112.2A351 G355A351-S353 PolarHBondContact O-N 2.9Å; S353-G355 VanDerWaalsContact C-N 3.25Å; S353-G355 PolarHBondContact O-N 3.15Å
354N24.1Very low36.7Very low164 Ų164113.3 Ų113.388%0.87769%0.685SS**  trans-61.282.5175.8-68.3-17.1000110.3V352V352-N354 PolarHBondContact O-N 3.3Å
355G25.9Very low38.7Very low41 Ų41108.9 Ų108.942%0.42367%0.67SS.*  trans-82152.7149.400000108.4S353 F357S353-G355 VanDerWaalsContact C-N 3.25Å; S353-G355 PolarHBondContact O-N 3.15Å; G355-F357 PolarHBondContact O-N 3.01Å
356P31.6Very low41.3Very low128 Ų128101.1 Ų101.183%0.83163%0.634SS**SBendtrans-61.66.3-176.1-20.131.3000115.8
357F27.7Very low43.6Very low206 Ų206104 Ų10490%0.90463%0.63SS**  trans-135.678.5179.8-66.1-79.1000111G355G355-F357 PolarHBondContact O-N 3.01Å
358S27.3Very low46.3Very low71 Ų71100.6 Ų100.650%0.49761%0.605SS.*  trans-153.7142.1169-172.80000110.4
359P34Very low48.9Very low110 Ų11097.4 Ų97.471%0.71458%0.582SS**SBendcis-131.1109.7-49.233.7-15.4000111
360S32.8Very low51.4Low121 Ų12197 Ų9785%0.84658%0.582SS**  trans-94.7-6.1160.860.80000112.7Q362S360-Q362 PolarHBondContact O-N 3.44Å
361I39.2Very low54.2Low116 Ų11699.7 Ų99.760%0.59559%0.59SS**SBendtrans-71105.2176.8-58.6174.9000107.4S363I361-S363 VanDerWaalsContact C-N 3.26Å; I361-S363 PolarHBondContact O-N 3.41Å
362Q48.7Very low57.2Low110 Ų11095.8 Ų95.851%0.51456%0.557SS.*  trans-52.394.6162-71.7175.3-11.400108.1S360 F364S360-Q362 PolarHBondContact O-N 3.44Å; Q362-F364 HydrophobicContact CB-CE2 4.12Å; Q362-F364 HydrophobicContact CB-CZ 4.04Å; Q362-F364 VanDerWaalsContact O-CD2 3.31Å; Q362-F364 WeakPolarHBondContact O-CD2 3.41Å; Q362-F364 WeakPolarHBondContact O-CE2 3.32Å; Q362-F364 PolarHBondContact O-N 3.49Å
363S64.6Low60.3Low74 Ų7492.7 Ų92.752%0.51753%0.534SS..PPolyproline II helixtrans-66.7125.6170.157.60000107.2A331 I361A331-S363 WeakPolarHBondContact CB-O 3.43Å; A331-S363 VanDerWaalsContact CB-OG 3.25Å; A331-S363 WeakPolarHBondContact CB-OG 3.5Å; A331-S363 PolarHBondContact N-O 2.92Å; I361-S363 VanDerWaalsContact C-N 3.26Å; I361-S363 PolarHBondContact O-N 3.41Å
364F76.6Confident63.7Low30 Ų3087.6 Ų87.613%0.13250%0.498CS..EExtended strand (participates in β ladder)trans-97.6141.4176-67-77.1000110.2Y256 I328 V329 P330 Q362 I366 M418Y256-F364 HydrophobicContact CD1-CE1 4.39Å; Y256-F364 HydrophobicContact CD2-CE1 4.11Å; Y256-F364 AromaticContact CG-CE1 3.96Å; Y256-F364 HydrophobicContact CG-CE1 3.96Å; I328-F364 HydrophobicContact CG2-CB 3.83Å; I328-F364 HydrophobicContact CG2-CD1 3.41Å; I328-F364 VanDerWaalsContact CG2-CD1 3.41Å; I328-F364 HydrophobicContact CG2-CD2 4.37Å; I328-F364 HydrophobicContact CG2-CE1 4.04Å; I328-F364 HydrophobicContact CG2-CG 3.61Å; V329-F364 CarbonylContact O-C 3.54Å; V329-F364 WeakPolarHBondContact O-CA 3.27Å; P330-F364 HydrophobicContact CG-CD1 4.36Å; P330-F364 HydrophobicContact CG-CE1 4.06Å; Q362-F364 HydrophobicContact CB-CE2 4.12Å; Q362-F364 HydrophobicContact CB-CZ 4.04Å; Q362-F364 VanDerWaalsContact O-CD2 3.31Å; Q362-F364 WeakPolarHBondContact O-CD2 3.41Å; Q362-F364 WeakPolarHBondContact O-CE2 3.32Å; Q362-F364 PolarHBondContact O-N 3.49Å; F364-I366 HydrophobicContact CB-CG1 4.29Å; F364-M418 HydrophobicContact CB-CE 4.35Å; F364-M418 HydrophobicContact CD2-CE 3.71Å; F364-M418 HydrophobicContact CD2-SD 4.29Å; F364-M418 HydrophobicContact CE2-CE 4.33Å; F364-M418 HydrophobicContact CG-CE 4.17Å
365D80.7Confident67.2Low76 Ų7679.8 Ų79.841%0.40646%0.456SS..EExtended strand (participates in β ladder)trans-88129.1160.2-163.29.4000107.9V329 V334V329-D365 PolarHBondContact N-O 3.44Å; V329-D365 PolarHBondContact O-N 3.03Å; V334-D365 HydrophobicContact CG2-CB 3.92Å
366I90.1Very high70.7Confident24 Ų2477.9 Ų77.912%0.12344%0.436CS..EExtended strand (participates in β ladder)trans-122.2113.3-174.2-62.9176.1000109.1L323 A327 F364 V368 M418 F419 V422L323-I366 HydrophobicContact CD1-CG2 3.77Å; L323-I366 HydrophobicContact CD2-CD1 4.11Å; L323-I366 HydrophobicContact CD2-CG1 4.49Å; L323-I366 HydrophobicContact CD2-CG2 3.77Å; L323-I366 HydrophobicContact CG-CG2 4.41Å; A327-I366 WeakPolarHBondContact O-CA 3.25Å; F364-I366 HydrophobicContact CB-CG1 4.29Å; I366-V368 HydrophobicContact CG2-CG2 4.35Å; I366-M418 HydrophobicContact CD1-CE 3.94Å; I366-M418 HydrophobicContact CD1-CG 4.04Å; I366-M418 WeakPolarHBondContact CD1-O 3.19Å; I366-F419 HydrophobicContact CD1-CD2 4.44Å; I366-F419 HydrophobicContact CD1-CE2 4.31Å; I366-V422 HydrophobicContact CB-CG2 3.87Å; I366-V422 HydrophobicContact CD1-CG2 3.99Å; I366-V422 HydrophobicContact CG2-CG2 3.8Å
367E89Confident73.8Confident162 Ų16271.8 Ų71.876%0.75740%0.396SS*.  trans-105.2104175-170.9176.4-178.500109.7A327 P369A327-E367 WeakPolarHBondContact CB-O 3.34Å; A327-E367 PolarHBondContact O-N 3.5Å; A327-E367 VanDerWaalsContact O-N 3.1Å; E367-P369 WeakPolarHBondContact O-CD 3.41Å
368V92.1Very high77.1Confident34 Ų3462 Ų6221%0.20635%0.353CS..PPolyproline II helixtrans-69.3126.1-176-178.30000110.4I366 C372 P374 V422I366-V368 HydrophobicContact CG2-CG2 4.35Å; V368-C372 HydrophobicContact CG1-CB 4.14Å; V368-P374 VanDerWaalsContact CG1-CD 3.48Å; V368-P374 HydrophobicContact CG1-CG 3.87Å; V368-P374 HydrophobicContact CG2-CG 4.11Å; V368-V422 HydrophobicContact CG2-CG1 3.51Å
369P89.9Confident80.2Confident40 Ų4058.6 Ų58.626%0.2633%0.33SS..PPolyproline II helixtrans-62.6153.1174.4-21.132.1000112.5P324 A327 E367 C372P324-P369 HydrophobicContact CG-CG 3.65Å; A327-P369 HydrophobicContact CB-CG 4.31Å; E367-P369 WeakPolarHBondContact O-CD 3.41Å; P369-C372 HydrophobicContact CB-CB 4.37Å; P369-C372 WeakPolarHBondContact O-CB 3.49Å; P369-C372 PolarHBondContact O-N 3.42Å
370P88.9Confident82.8Confident115 Ų11554.7 Ų54.775%0.74730%0.303SS*.THydrogen-bonded Turntrans-61.6148.6177.426.8-35.3000111.9C372P370-C372 PolarHBondContact O-N 2.9Å
371N88.2Confident85Confident161 Ų16150 Ų5086%0.86127%0.269SS*.THydrogen-bonded Turntrans59.121.6-177.5-51.3-57.2000114.3
372C91.9Very high86.7Confident11 Ų1153 Ų537%0.07428%0.278CS..  trans-114.6143.6174.7-171.20000109.3A319 Y320 I322 V368 P369 P370A319-C372 PolarHBondContact O-SG 3.07Å; Y320-C372 PolarHBondContact O-SG 3.13Å; Y320-C372 VanDerWaalsContact O-SG 3.38Å; I322-C372 PolarHBondContact O-SG 3.12Å; I322-C372 VanDerWaalsContact O-SG 3.36Å; V368-C372 HydrophobicContact CG1-CB 4.14Å; P369-C372 HydrophobicContact CB-CB 4.37Å; P369-C372 WeakPolarHBondContact O-CB 3.49Å; P369-C372 PolarHBondContact O-N 3.42Å; P370-C372 PolarHBondContact O-N 2.9Å
373R96.9Very high87.6Confident46 Ų4648.4 Ų48.417%0.17426%0.259CS..  trans-131.785.7167.2-167.1169.4-179.5998108.1Y320 L375 E424 C425 N426Y320-R373 HydrophobicContact CE1-CB 3.87Å; Y320-R373 HydrophobicContact CE2-CB 4.01Å; Y320-R373 CarbonylContact O-C 3.49Å; Y320-R373 VanDerWaalsContact O-C 3.28Å; Y320-R373 PolarHBondContact O-N 2.92Å; Y320-R373 VanDerWaalsContact O-O 3.1Å; R373-L375 PolarHBondContact O-N 3.31Å; R373-E424 WeakPolarHBondContact CA-O 3.41Å; R373-E424 WeakPolarHBondContact CG-O 3.31Å; R373-C425 VanDerWaalsContact CZ-O 3.25Å; R373-C425 PolarHBondContact NE-O 3.23Å; R373-C425 VanDerWaalsContact NE-O 3.13Å; R373-C425 PolarHBondContact NH2-O 2.83Å; R373-N426 VanDerWaalsContact CD-ND2 3.35Å; R373-N426 WeakPolarHBondContact CD-ND2 3.23Å; R373-N426 WeakPolarHBondContact CD-OD1 3.43Å; R373-N426 PolarHBondContact NE-OD1 3.24Å
374P97.7Very high87.5Confident0 Ų046.4 Ų46.40%025%0.249CC..  trans-47134.1-176.9-35.239.7000113.3L323 V368 F419 E424 C425 N426L323-P374 HydrophobicContact CB-CB 4.1Å; L323-P374 HydrophobicContact CB-CG 4.18Å; L323-P374 HydrophobicContact CD1-CG 3.92Å; V368-P374 VanDerWaalsContact CG1-CD 3.48Å; V368-P374 HydrophobicContact CG1-CG 3.87Å; V368-P374 HydrophobicContact CG2-CG 4.11Å; P374-F419 HydrophobicContact CB-CE1 3.94Å; P374-E424 VanDerWaalsContact CD-O 3.26Å; P374-E424 WeakPolarHBondContact CD-O 3.42Å; P374-C425 WeakPolarHBondContact O-CA 3.19Å; P374-C425 VanDerWaalsContact O-CB 3.3Å; P374-C425 WeakPolarHBondContact O-CB 3.49Å; P374-N426 PolarHBondContact O-N 3.31Å
375L98.5Very high86.8Confident0 Ų047.2 Ų47.20%027%0.266CS..EExtended strand (participates in β ladder)trans-95.6111.3178.2-170.266.9000110H321 R373 V377 L399 Q403 N426 L428 L488 I491H321-L375 HydrophobicContact CB-CB 3.97Å; H321-L375 PolarHBondContact O-N 3.4Å; R373-L375 PolarHBondContact O-N 3.31Å; L375-V377 HydrophobicContact CD2-CG2 4.12Å; L375-V377 HydrophobicContact CG-CG2 4.01Å; L375-L399 HydrophobicContact CB-CD1 4.49Å; L375-L399 HydrophobicContact CD2-CD1 4.33Å; L375-Q403 WeakPolarHBondContact O-CB 3.24Å; L375-Q403 PolarHBondContact O-NE2 3.08Å; L375-N426 CarbonylContact C-O 3.54Å; L375-N426 WeakPolarHBondContact CA-O 3.24Å; L375-N426 HydrophobicContact CD1-CB 3.68Å; L375-L428 HydrophobicContact CD1-CB 3.94Å; L375-L428 HydrophobicContact CD2-CB 4.15Å; L375-L428 HydrophobicContact CD2-CD2 4.11Å; L375-L428 HydrophobicContact CG-CB 4.1Å; L375-L488 HydrophobicContact CD2-CD2 3.5Å; L375-L488 VanDerWaalsContact CD2-CD2 3.5Å; L375-I491 HydrophobicContact CD1-CD1 4.37Å; L375-I491 HydrophobicContact CD1-CG2 4.13Å; L375-I491 HydrophobicContact CD2-CD1 4.07Å
376L98.2Very high85.8Confident0 Ų052.7 Ų52.70%029%0.286CS..EExtended strand (participates in β ladder)trans-85.3125.9169.1175.861.7000109.1F378 F405 L416 F419 N426 I427 L428L376-F378 HydrophobicContact CD1-CZ 4.28Å; L376-F378 HydrophobicContact CD2-CE2 3.66Å; L376-F378 HydrophobicContact CD2-CZ 3.58Å; L376-F378 HydrophobicContact CG-CE2 3.82Å; L376-F378 HydrophobicContact CG-CZ 3.87Å; L376-F405 HydrophobicContact CD1-CD2 3.56Å; L376-F405 HydrophobicContact CD1-CE2 3.49Å; L376-F405 VanDerWaalsContact CD1-CE2 3.49Å; L376-L416 HydrophobicContact CD2-CD2 4.44Å; L376-F419 HydrophobicContact CB-CD1 4.18Å; L376-F419 HydrophobicContact CB-CE1 4.28Å; L376-F419 HydrophobicContact CB-CG 4.36Å; L376-F419 HydrophobicContact CD1-CD2 3.95Å; L376-F419 HydrophobicContact CD1-CE2 4.06Å; L376-F419 HydrophobicContact CD1-CG 4.42Å; L376-F419 HydrophobicContact CD2-CB 3.9Å; L376-F419 HydrophobicContact CD2-CD1 4.49Å; L376-F419 HydrophobicContact CD2-CD2 4.2Å; L376-F419 HydrophobicContact CD2-CG 3.95Å; L376-F419 HydrophobicContact CG-CD2 4.5Å; L376-F419 HydrophobicContact CG-CG 4.49Å; L376-N426 PolarHBondContact N-O 2.9Å; L376-I427 HydrophobicContact CB-CG1 4.3Å; L376-I427 HydrophobicContact CD2-CG1 4.27Å; L376-I427 CarbonylContact O-C 3.54Å; L376-I427 VanDerWaalsContact O-CA 3.24Å; L376-I427 WeakPolarHBondContact O-CA 3.37Å; L376-L428 PolarHBondContact O-N 3.39Å
377V97.4Very high84.6Confident0 Ų054.4 Ų54.40%029%0.294CS..EExtended strand (participates in β ladder)trans-117.4123.4-172.1-170.70000110.3L375 L395 L399 Q403 V404 F405 L428L375-V377 HydrophobicContact CD2-CG2 4.12Å; L375-V377 HydrophobicContact CG-CG2 4.01Å; V377-L395 HydrophobicContact CG1-CD1 3.75Å; V377-L399 HydrophobicContact CG2-CD1 3.64Å; V377-Q403 PolarHBondContact N-O 3.37Å; V377-V404 HydrophobicContact CB-CG1 4.32Å; V377-V404 HydrophobicContact CB-CG2 4.44Å; V377-V404 WeakPolarHBondContact O-CA 3.43Å; V377-F405 PolarHBondContact O-N 2.92Å; V377-L428 WeakPolarHBondContact CA-O 3.26Å; V377-L428 HydrophobicContact CG1-CB 4.24Å; V377-L428 HydrophobicContact CG1-CD2 4.12Å; V377-L428 HydrophobicContact CG1-CG 4.26Å; V377-L428 HydrophobicContact CG2-CB 4.2Å; V377-L428 HydrophobicContact CG2-CD2 4.37Å
378F96.5Very high83.7Confident0 Ų046.7 Ų46.70%026%0.258CS..EExtended strand (participates in β ladder)trans-107.4131.3171.2-66.1-67.2000109.8L376 F405 L407 P412 L416 I427 L428 C430 V439L376-F378 HydrophobicContact CD1-CZ 4.28Å; L376-F378 HydrophobicContact CD2-CE2 3.66Å; L376-F378 HydrophobicContact CD2-CZ 3.58Å; L376-F378 HydrophobicContact CG-CE2 3.82Å; L376-F378 HydrophobicContact CG-CZ 3.87Å; F378-F405 HydrophobicContact CD1-CB 3.93Å; F378-F405 HydrophobicContact CE1-CB 4.08Å; F378-F405 HydrophobicContact CE1-CD2 4.47Å; F378-F405 HydrophobicContact CE1-CG 4.41Å; F378-L407 HydrophobicContact CB-CD1 4.1Å; F378-L407 HydrophobicContact CB-CD2 3.95Å; F378-L407 HydrophobicContact CB-CG 4.09Å; F378-L407 HydrophobicContact CD1-CD2 3.74Å; F378-L407 HydrophobicContact CG-CD2 4.11Å; F378-P412 HydrophobicContact CD1-CB 3.99Å; F378-P412 HydrophobicContact CE1-CB 3.8Å; F378-P412 VanDerWaalsContact CE1-O 3.25Å; F378-P412 WeakPolarHBondContact CE1-O 3.28Å; F378-P412 HydrophobicContact CE2-CB 4.48Å; F378-P412 HydrophobicContact CG-CB 4.42Å; F378-P412 HydrophobicContact CZ-CB 4.06Å; F378-P412 WeakPolarHBondContact CZ-O 3.41Å; F378-L416 HydrophobicContact CE2-CD2 3.72Å; F378-L416 HydrophobicContact CE2-CG 4.15Å; F378-L416 HydrophobicContact CZ-CD2 3.74Å; F378-L416 HydrophobicContact CZ-CG 3.7Å; F378-I427 HydrophobicContact CD2-CG2 3.69Å; F378-I427 HydrophobicContact CE2-CG2 3.9Å; F378-L428 PolarHBondContact N-O 2.97Å; F378-C430 WeakPolarHBondContact O-CB 3.4Å; F378-C430 PolarHBondContact O-N 3.32Å; F378-V439 HydrophobicContact CB-CG2 4.13Å; F378-V439 HydrophobicContact CD2-CG1 3.92Å; F378-V439 HydrophobicContact CD2-CG2 4.16Å; F378-V439 HydrophobicContact CE2-CG1 4.22Å; F378-V439 HydrophobicContact CG-CG2 4.24Å
379L92Very high82.8Confident0 Ų047.6 Ų47.60%026%0.264CS..EExtended strand (participates in β ladder)trans-129123.2-175.8-164.7111.2000111.3P381 G388 L391 L395 F405 L406 L407 C430 L460L379-P381 VanDerWaalsContact O-CD 3.26Å; L379-P381 WeakPolarHBondContact O-CD 3.26Å; L379-G388 VanDerWaalsContact CD2-O 3.25Å; L379-G388 WeakPolarHBondContact CD2-O 3.34Å; L379-L391 HydrophobicContact CD1-CB 4.27Å; L379-L391 HydrophobicContact CD1-CD2 3.57Å; L379-L391 HydrophobicContact CD1-CG 3.76Å; L379-L395 HydrophobicContact CD1-CD1 4.01Å; L379-F405 PolarHBondContact N-O 3.19Å; L379-L406 HydrophobicContact CB-CD2 4.26Å; L379-L406 HydrophobicContact CD2-CD2 3.69Å; L379-L406 WeakPolarHBondContact O-CA 3.2Å; L379-L407 PolarHBondContact O-N 3.18Å; L379-C430 HydrophobicContact CB-CB 4.27Å; L379-C430 HydrophobicContact CD1-CB 3.4Å; L379-C430 VanDerWaalsContact CD1-CB 3.4Å; L379-C430 HydrophobicContact CG-CB 3.99Å; L379-L460 HydrophobicContact CD1-CD1 4.23Å
380N88Confident82.2Confident28 Ų2854.5 Ų54.515%0.1529%0.285CS..  trans-89.8107171.2-177.1-16.4000109.6K382 S383 L407 C430 T435N380-K382 VanDerWaalsContact C-N 3.25Å; N380-K382 PolarHBondContact O-N 3.47Å; N380-K382 WeakPolarHBondContact OD1-CB 3.34Å; N380-K382 PolarHBondContact OD1-N 3.46Å; N380-S383 WeakPolarHBondContact O-CB 3.44Å; N380-S383 PolarHBondContact O-N 2.88Å; N380-S383 VanDerWaalsContact O-N 3.13Å; N380-L407 HydrophobicContact CB-CD1 4.26Å; N380-C430 PolarHBondContact N-O 3.06Å; N380-T435 HydrophobicContact CB-CG2 3.75Å; N380-T435 PolarHBondContact ND2-OG1 2.89Å
381P79.1Confident82.1Confident22 Ų2249.7 Ų49.714%0.14325%0.252CS..THydrogen-bonded Turntrans-68-23.8-176.426.2-32.1000113.4L379 S383 L406 D408L379-P381 VanDerWaalsContact O-CD 3.26Å; L379-P381 WeakPolarHBondContact O-CD 3.26Å; P381-S383 PolarHBondContact O-N 3.15Å; P381-L406 HydrophobicContact CB-CD2 4.43Å; P381-L406 HydrophobicContact CG-CD2 4.39Å; P381-D408 HydrophobicContact CG-CB 3.8Å; P381-D408 VanDerWaalsContact CG-OD2 3.29Å; P381-D408 WeakPolarHBondContact CG-OD2 3.31Å
382K75Confident82Confident180 Ų18043 Ų4378%0.78322%0.215SC*.THydrogen-bonded Turntrans-70.4-16.7176-59.6179.5179175.30112.1N380N380-K382 VanDerWaalsContact C-N 3.25Å; N380-K382 PolarHBondContact O-N 3.47Å; N380-K382 WeakPolarHBondContact OD1-CB 3.34Å; N380-K382 PolarHBondContact OD1-N 3.46Å
383S69.1Low81.8Confident14 Ų1446.1 Ų46.110%0.09823%0.225CC..THydrogen-bonded Turntrans-79.4132.3179.6-670000112.7N380 P381N380-S383 WeakPolarHBondContact O-CB 3.44Å; N380-S383 PolarHBondContact O-N 2.88Å; N380-S383 VanDerWaalsContact O-N 3.13Å; P381-S383 PolarHBondContact O-N 3.15Å
384G61.6Low81.5Confident31 Ų3147.4 Ų47.432%0.3223%0.232SC..THydrogen-bonded Turntrans8025.6164.800000116.8Q387 L460G384-Q387 WeakPolarHBondContact O-CG 3.48Å; G384-L460 WeakPolarHBondContact CA-O 3.39Å; G384-L460 PolarHBondContact N-O 3.28Å
385G62.4Low81.3Confident48 Ų4847.4 Ų47.450%0.49523%0.232SC..THydrogen-bonded Turntrans68.455.716900000114.2Q387G385-Q387 PolarHBondContact O-N 3.08Å
386K60.4Low81Confident190 Ų19047.6 Ų47.683%0.82623%0.233SC*.THydrogen-bonded Turntrans6710.4179.9-50.9-175.6179-174.20115.7G388K386-G388 PolarHBondContact O-N 3.18Å
387Q64.2Low80.8Confident60 Ų6048.5 Ų48.528%0.2824%0.237SC..Hα-helixtrans-64.5-26.5168.5-71.7-170.1-200112.4G384 G385 R390 L391G384-Q387 WeakPolarHBondContact O-CG 3.48Å; G385-Q387 PolarHBondContact O-N 3.08Å; Q387-R390 PolarHBondContact O-N 3.09Å; Q387-L391 WeakPolarHBondContact O-CB 3.45Å; Q387-L391 PolarHBondContact O-N 3.42Å
388G69.3Low80.7Confident0 Ų049 Ų490%024%0.239CC..Hα-helixtrans-53.2-57.3-176.200000113.6L379 K386 R390 L391 Y392L379-G388 VanDerWaalsContact CD2-O 3.25Å; L379-G388 WeakPolarHBondContact CD2-O 3.34Å; K386-G388 PolarHBondContact O-N 3.18Å; G388-R390 VanDerWaalsContact C-N 3.34Å; G388-R390 PolarHBondContact O-N 3.44Å; G388-L391 CarbonylContact O-C 3.34Å; G388-L391 WeakPolarHBondContact O-CA 3.42Å; G388-L391 WeakPolarHBondContact O-CB 3.5Å; G388-L391 PolarHBondContact O-N 3.04Å; G388-Y392 WeakPolarHBondContact O-CB 3.26Å; G388-Y392 PolarHBondContact O-N 2.86Å
389T73.4Confident80.7Confident54 Ų5449 Ų4933%0.33124%0.239SC..Hα-helixtrans-61-39.8-176-42.90000113L391 Y392 R393T389-L391 VanDerWaalsContact C-N 3.33Å; T389-L391 PolarHBondContact O-N 3.47Å; T389-Y392 WeakPolarHBondContact O-CB 3.3Å; T389-Y392 PolarHBondContact O-N 3.43Å; T389-R393 WeakPolarHBondContact O-CG 3.43Å; T389-R393 PolarHBondContact O-N 3.42Å
390R77.4Confident80.9Confident185 Ų18549 Ų4970%0.69824%0.239SC*.Hα-helixtrans-65.7-39.6176.2-178177.3177.1175.9-0.9111.4Q387 G388 K394Q387-R390 PolarHBondContact O-N 3.09Å; G388-R390 VanDerWaalsContact C-N 3.34Å; G388-R390 PolarHBondContact O-N 3.44Å; R390-K394 WeakPolarHBondContact O-CB 3.29Å; R390-K394 PolarHBondContact O-N 3.15Å
391L86.4Confident81.2Confident13 Ų1348.2 Ų48.27%0.06824%0.236CC..Hα-helixtrans-70-40.8178.5179.858.3000111.5L379 Q387 G388 T389 K394 L395 L458 L460 F476 L484L379-L391 HydrophobicContact CD1-CB 4.27Å; L379-L391 HydrophobicContact CD1-CD2 3.57Å; L379-L391 HydrophobicContact CD1-CG 3.76Å; Q387-L391 WeakPolarHBondContact O-CB 3.45Å; Q387-L391 PolarHBondContact O-N 3.42Å; G388-L391 CarbonylContact O-C 3.34Å; G388-L391 WeakPolarHBondContact O-CA 3.42Å; G388-L391 WeakPolarHBondContact O-CB 3.5Å; G388-L391 PolarHBondContact O-N 3.04Å; T389-L391 VanDerWaalsContact C-N 3.33Å; T389-L391 PolarHBondContact O-N 3.47Å; L391-K394 CarbonylContact O-C 3.52Å; L391-K394 WeakPolarHBondContact O-CA 3.48Å; L391-K394 WeakPolarHBondContact O-CB 3.3Å; L391-K394 PolarHBondContact O-N 3.38Å; L391-K394 VanDerWaalsContact O-N 3.1Å; L391-L395 HydrophobicContact CD1-CD1 4.07Å; L391-L395 HydrophobicContact CD1-CG 4.17Å; L391-L395 HydrophobicContact CG-CD1 3.87Å; L391-L395 HydrophobicContact CG-CG 4.45Å; L391-L395 WeakPolarHBondContact O-CG 3.24Å; L391-L395 PolarHBondContact O-N 3.4Å; L391-L458 HydrophobicContact CD2-CD2 3.28Å; L391-L458 HydrophobicContact CG-CD2 4.47Å; L391-L460 HydrophobicContact CD2-CD1 3.83Å; L391-L460 HydrophobicContact CD2-CD2 4.1Å; L391-L460 HydrophobicContact CD2-CG 4.48Å; L391-F476 HydrophobicContact CD1-CE1 4.49Å; L391-L484 HydrophobicContact CD1-CD1 3.83Å; L391-L484 HydrophobicContact CD1-CD2 3.55Å; L391-L484 HydrophobicContact CD1-CG 4.25Å
392Y87.7Confident81.7Confident21 Ų2150.1 Ų50.18%0.08224%0.24CC..Hα-helixtrans-51.8-59.1173.2-178.2-123.2000111.4Q194 G388 T389 K394 L395 Q396 V404 L406Q194-Y392 HydrophobicContact CB-CE1 4.49Å; G388-Y392 WeakPolarHBondContact O-CB 3.26Å; G388-Y392 PolarHBondContact O-N 2.86Å; T389-Y392 WeakPolarHBondContact O-CB 3.3Å; T389-Y392 PolarHBondContact O-N 3.43Å; Y392-K394 PolarHBondContact O-N 2.9Å; Y392-K394 VanDerWaalsContact O-N 3.12Å; Y392-L395 PolarHBondContact O-N 3.05Å; Y392-Q396 HydrophobicContact CD2-CG 4.37Å; Y392-Q396 HydrophobicContact CE2-CG 4.08Å; Y392-Q396 VanDerWaalsContact CZ-CD 3.47Å; Y392-Q396 WeakPolarHBondContact O-CG 3.29Å; Y392-Q396 PolarHBondContact O-N 2.99Å; Y392-Q396 PolarHBondContact OH-NE2 3.16Å; Y392-V404 HydrophobicContact CD2-CG1 3.54Å; Y392-V404 HydrophobicContact CE2-CB 4.22Å; Y392-V404 HydrophobicContact CE2-CG1 3.69Å; Y392-L406 HydrophobicContact CD1-CD1 4.16Å; Y392-L406 HydrophobicContact CD1-CD2 4.32Å; Y392-L406 HydrophobicContact CD1-CG 4.36Å; Y392-L406 HydrophobicContact CD2-CD2 3.68Å; Y392-L406 HydrophobicContact CD2-CG 3.89Å; Y392-L406 HydrophobicContact CE1-CD1 3.93Å; Y392-L406 HydrophobicContact CE1-CG 4.22Å; Y392-L406 HydrophobicContact CE2-CD1 4.37Å; Y392-L406 HydrophobicContact CE2-CD2 4.1Å; Y392-L406 HydrophobicContact CE2-CG 3.77Å; Y392-L406 HydrophobicContact CG-CD1 4.46Å; Y392-L406 HydrophobicContact CG-CD2 3.81Å; Y392-L406 HydrophobicContact CG-CG 4.2Å
393R86.9Confident82.7Confident76 Ų7641.5 Ų41.529%0.28720%0.203SC..Hα-helixtrans-59.1-29.9178-65.1174.2-174.51742.7112.7C205 I234 T389 Y397C205-R393 PolarHBondContact SG-NH1 2.93Å; I234-R393 HydrophobicContact CG2-CG 4.23Å; T389-R393 WeakPolarHBondContact O-CG 3.43Å; T389-R393 PolarHBondContact O-N 3.42Å; R393-Y397 WeakPolarHBondContact O-CB 3.45Å; R393-Y397 PolarHBondContact O-N 3.41Å
394K89.7Confident83.9Confident73 Ų7341 Ų4132%0.31720%0.199SC..Hα-helixtrans-75.4-41.9177.2-172.663.8178.1-178.50111.5R390 L391 Y392 Y397 L398 L484R390-K394 WeakPolarHBondContact O-CB 3.29Å; R390-K394 PolarHBondContact O-N 3.15Å; L391-K394 CarbonylContact O-C 3.52Å; L391-K394 WeakPolarHBondContact O-CA 3.48Å; L391-K394 WeakPolarHBondContact O-CB 3.3Å; L391-K394 PolarHBondContact O-N 3.38Å; L391-K394 VanDerWaalsContact O-N 3.1Å; Y392-K394 PolarHBondContact O-N 2.9Å; Y392-K394 VanDerWaalsContact O-N 3.12Å; K394-Y397 WeakPolarHBondContact O-CB 3.03Å; K394-Y397 PolarHBondContact O-N 2.71Å; K394-L398 HydrophobicContact CG-CD1 4.2Å; K394-L398 VanDerWaalsContact O-CG 3.31Å; K394-L398 WeakPolarHBondContact O-CG 3.19Å; K394-L398 PolarHBondContact O-N 2.83Å; K394-L484 HydrophobicContact CB-CD2 4.33Å; K394-L484 HydrophobicContact CG-CD2 3.73Å
395L93.8Very high85.4Confident0 Ų040.6 Ų40.60%019%0.189CC..Hα-helixtrans-66-45.1176.2-75.3161.6000111.1V377 L379 L391 Y392 Y397 L398 L399 V404 L484V377-L395 HydrophobicContact CG1-CD1 3.75Å; L379-L395 HydrophobicContact CD1-CD1 4.01Å; L391-L395 HydrophobicContact CD1-CD1 4.07Å; L391-L395 HydrophobicContact CD1-CG 4.17Å; L391-L395 HydrophobicContact CG-CD1 3.87Å; L391-L395 HydrophobicContact CG-CG 4.45Å; L391-L395 WeakPolarHBondContact O-CG 3.24Å; L391-L395 PolarHBondContact O-N 3.4Å; Y392-L395 PolarHBondContact O-N 3.05Å; L395-Y397 PolarHBondContact O-N 3.19Å; L395-L398 PolarHBondContact O-N 2.77Å; L395-L399 HydrophobicContact CD2-CD1 4.37Å; L395-L399 PolarHBondContact O-N 2.88Å; L395-V404 HydrophobicContact CB-CG1 3.89Å; L395-V404 HydrophobicContact CB-CG2 3.91Å; L395-V404 HydrophobicContact CD1-CG1 4.34Å; L395-L484 HydrophobicContact CD2-CD1 4.24Å; L395-L484 HydrophobicContact CD2-CD2 4.17Å; L395-L484 HydrophobicContact CG-CD2 4.28Å
396Q93.1Very high86.7Confident4 Ų439.9 Ų39.92%0.01917%0.174CC..Hα-helixtrans-59.2-28.3172.7-69.8179.5-48.200112.7F235 R295 Y392 P401 V404F235-Q396 HydrophobicContact CD1-CB 4.32Å; F235-Q396 HydrophobicContact CE1-CB 4.26Å; R295-Q396 PolarHBondContact NH2-O 2.77Å; Y392-Q396 HydrophobicContact CD2-CG 4.37Å; Y392-Q396 HydrophobicContact CE2-CG 4.08Å; Y392-Q396 VanDerWaalsContact CZ-CD 3.47Å; Y392-Q396 WeakPolarHBondContact O-CG 3.29Å; Y392-Q396 PolarHBondContact O-N 2.99Å; Y392-Q396 PolarHBondContact OH-NE2 3.16Å; Q396-P401 HydrophobicContact CB-CB 4.45Å; Q396-P401 HydrophobicContact CB-CG 4.47Å; Q396-P401 HydrophobicContact CG-CB 4.42Å; Q396-V404 HydrophobicContact CG-CB 4.1Å; Q396-V404 HydrophobicContact CG-CG1 4.38Å; Q396-V404 HydrophobicContact CG-CG2 4.38Å
397Y93.8Very high88.2Confident20 Ų2030.9 Ų30.98%0.07813%0.134CC..Hα-helixtrans-79-32.4170.9175.3-103.9000113.2F235 K237 R295 K298 R393 K394 L395F235-Y397 VanDerWaalsContact O-CD2 3.28Å; F235-Y397 WeakPolarHBondContact O-CD2 3.46Å; K237-Y397 HydrophobicContact CB-CE2 4.13Å; K237-Y397 HydrophobicContact CD-CD2 4.11Å; K237-Y397 HydrophobicContact CD-CE2 4.28Å; K237-Y397 HydrophobicContact CG-CD2 3.42Å; K237-Y397 VanDerWaalsContact CG-CD2 3.42Å; K237-Y397 HydrophobicContact CG-CE2 3.17Å; K237-Y397 HydrophobicContact CG-CG 4.21Å; R295-Y397 PolarHBondContact NE-O 2.99Å; R295-Y397 PolarHBondContact NH1-O 3.18Å; R295-Y397 VanDerWaalsContact NH2-C 3.29Å; R295-Y397 PolarHBondContact NH2-O 3.42Å; K298-Y397 HydrophobicContact CD-CE1 4.18Å; K298-Y397 PolarHBondContact NZ-O 3.2Å; R393-Y397 WeakPolarHBondContact O-CB 3.45Å; R393-Y397 PolarHBondContact O-N 3.41Å; K394-Y397 WeakPolarHBondContact O-CB 3.03Å; K394-Y397 PolarHBondContact O-N 2.71Å; L395-Y397 PolarHBondContact O-N 3.19Å
398L95.2Very high89Confident9 Ų931.1 Ų31.15%0.04714%0.138CC..Hα-helixtrans-84.6-34.9-176.3-72178000112.5L318 K394 L395 L484 M485 L488L318-L398 HydrophobicContact CD1-CB 4.01Å; L318-L398 HydrophobicContact CD1-CD2 4.21Å; L318-L398 HydrophobicContact CD1-CG 4.49Å; K394-L398 HydrophobicContact CG-CD1 4.2Å; K394-L398 VanDerWaalsContact O-CG 3.31Å; K394-L398 WeakPolarHBondContact O-CG 3.19Å; K394-L398 PolarHBondContact O-N 2.83Å; L395-L398 PolarHBondContact O-N 2.77Å; L398-L484 HydrophobicContact CD1-CD2 3.68Å; L398-L484 HydrophobicContact CD1-CG 4.18Å; L398-M485 HydrophobicContact CD1-SD 3.94Å; L398-M485 HydrophobicContact CD2-SD 3.84Å; L398-L488 HydrophobicContact CD1-CD1 3.95Å
399L96.4Very high89.1Confident0 Ų036.3 Ų36.30%016%0.162CC..SBendtrans-107.6-173.6-179.4-56.6178000110.3R295 H321 I322 L375 V377 L395 V404R295-L399 PolarHBondContact NH2-O 3.34Å; H321-L399 HydrophobicContact CB-CD2 3.85Å; I322-L399 HydrophobicContact CG1-CD2 4.07Å; L375-L399 HydrophobicContact CB-CD1 4.49Å; L375-L399 HydrophobicContact CD2-CD1 4.33Å; V377-L399 HydrophobicContact CG2-CD1 3.64Å; L395-L399 HydrophobicContact CD2-CD1 4.37Å; L395-L399 PolarHBondContact O-N 2.88Å; L399-V404 HydrophobicContact CD1-CG2 4.44Å
400N95.7Very high89.3Confident0 Ų038.6 Ų38.60%017%0.172CC..  trans-74.2131.3161.8-175.7-27.7000108.7T255 W296 L323 R402 Q403T255-N400 PolarHBondContact O-ND2 3.47Å; T255-N400 PolarHBondContact O-OD1 2.76Å; W296-N400 HydrophobicContact CH2-CB 4.3Å; W296-N400 HydrophobicContact CZ3-CB 4.23Å; L323-N400 WeakPolarHBondContact O-CB 3.26Å; L323-N400 PolarHBondContact O-ND2 3.17Å; N400-R402 PolarHBondContact O-N 3.39Å; N400-R402 VanDerWaalsContact O-N 3.11Å; N400-R402 PolarHBondContact OD1-N 3.48Å; N400-R402 VanDerWaalsContact OD1-N 3.15Å; N400-Q403 HydrophobicContact CB-CG 4.09Å; N400-Q403 VanDerWaalsContact CB-OE1 3.28Å; N400-Q403 VanDerWaalsContact N-OE1 3.07Å; N400-Q403 VanDerWaalsContact O-CB 3.26Å; N400-Q403 WeakPolarHBondContact O-CB 3.43Å; N400-Q403 PolarHBondContact O-N 3.01Å
401P93.6Very high89.9Confident13 Ų1330 Ų308%0.08414%0.141CC..G310 helixtrans-50.6-33.3178.4-29.635.7000114.6F235 I253 T255 Q396 Q403 V404F235-P401 HydrophobicContact CD1-CB 4.23Å; F235-P401 HydrophobicContact CD1-CG 3.58Å; F235-P401 HydrophobicContact CE1-CB 3.85Å; F235-P401 HydrophobicContact CE1-CG 3.74Å; F235-P401 HydrophobicContact CG-CG 4.25Å; F235-P401 HydrophobicContact CZ-CB 4.4Å; F235-P401 HydrophobicContact CZ-CG 4.46Å; I253-P401 HydrophobicContact CD1-CG 4.25Å; T255-P401 HydrophobicContact CG2-CB 4.2Å; T255-P401 HydrophobicContact CG2-CG 3.94Å; Q396-P401 HydrophobicContact CB-CB 4.45Å; Q396-P401 HydrophobicContact CB-CG 4.47Å; Q396-P401 HydrophobicContact CG-CB 4.42Å; P401-Q403 PolarHBondContact O-N 2.68Å; P401-V404 PolarHBondContact O-N 2.85Å
402R91.2Very high90.3Very high61 Ų6129.3 Ų29.323%0.2314%0.137CC..G310 helixtrans-69.40.9176.6-67.7-173.5179.3-82.3-0.1115T255 I328 N400 F405 M418T255-R402 PolarHBondContact OG1-NE 3.32Å; I328-R402 HydrophobicContact CD1-CB 4.36Å; N400-R402 PolarHBondContact O-N 3.39Å; N400-R402 VanDerWaalsContact O-N 3.11Å; N400-R402 PolarHBondContact OD1-N 3.48Å; N400-R402 VanDerWaalsContact OD1-N 3.15Å; R402-F405 VanDerWaalsContact O-CE2 3.27Å; R402-F405 WeakPolarHBondContact O-CE2 3.25Å; R402-M418 HydrophobicContact CB-CE 3.99Å; R402-M418 HydrophobicContact CB-SD 4.41Å
403Q95.8Very high90.6Very high0 Ų031.8 Ų31.80%015%0.147CC..G310 helixtrans-99.9-1.7173-62.5180-98.400112.4H321 L323 L375 V377 N400 P401 F419H321-Q403 PolarHBondContact O-NE2 3.48Å; L323-Q403 HydrophobicContact CB-CG 4.07Å; L375-Q403 WeakPolarHBondContact O-CB 3.24Å; L375-Q403 PolarHBondContact O-NE2 3.08Å; V377-Q403 PolarHBondContact N-O 3.37Å; N400-Q403 HydrophobicContact CB-CG 4.09Å; N400-Q403 VanDerWaalsContact CB-OE1 3.28Å; N400-Q403 VanDerWaalsContact N-OE1 3.07Å; N400-Q403 VanDerWaalsContact O-CB 3.26Å; N400-Q403 WeakPolarHBondContact O-CB 3.43Å; N400-Q403 PolarHBondContact O-N 3.01Å; P401-Q403 PolarHBondContact O-N 2.68Å; Q403-F419 HydrophobicContact CG-CZ 4.22Å
404V94.5Very high90.7Very high4 Ų432.8 Ų32.82%0.02416%0.155CC..EExtended strand (participates in β ladder)trans-126.6114.2-169.9-167.50000109.8V377 Y392 L395 Q396 L399 P401V377-V404 HydrophobicContact CB-CG1 4.32Å; V377-V404 HydrophobicContact CB-CG2 4.44Å; V377-V404 WeakPolarHBondContact O-CA 3.43Å; Y392-V404 HydrophobicContact CD2-CG1 3.54Å; Y392-V404 HydrophobicContact CE2-CB 4.22Å; Y392-V404 HydrophobicContact CE2-CG1 3.69Å; L395-V404 HydrophobicContact CB-CG1 3.89Å; L395-V404 HydrophobicContact CB-CG2 3.91Å; L395-V404 HydrophobicContact CD1-CG1 4.34Å; Q396-V404 HydrophobicContact CG-CB 4.1Å; Q396-V404 HydrophobicContact CG-CG1 4.38Å; Q396-V404 HydrophobicContact CG-CG2 4.38Å; L399-V404 HydrophobicContact CD1-CG2 4.44Å; P401-V404 PolarHBondContact O-N 2.85Å
405F92.1Very high90.9Very high21 Ų2129.3 Ų29.39%0.09214%0.14CC..EExtended strand (participates in β ladder)trans-119.1138.8-176-64.9-94000110.7L376 V377 F378 L379 R402 E414 M418L376-F405 HydrophobicContact CD1-CD2 3.56Å; L376-F405 HydrophobicContact CD1-CE2 3.49Å; L376-F405 VanDerWaalsContact CD1-CE2 3.49Å; V377-F405 PolarHBondContact O-N 2.92Å; F378-F405 HydrophobicContact CD1-CB 3.93Å; F378-F405 HydrophobicContact CE1-CB 4.08Å; F378-F405 HydrophobicContact CE1-CD2 4.47Å; F378-F405 HydrophobicContact CE1-CG 4.41Å; L379-F405 PolarHBondContact N-O 3.19Å; R402-F405 VanDerWaalsContact O-CE2 3.27Å; R402-F405 WeakPolarHBondContact O-CE2 3.25Å; F405-E414 HydrophobicContact CD1-CB 4.41Å; F405-E414 HydrophobicContact CD1-CG 4.4Å; F405-E414 HydrophobicContact CE1-CB 4.35Å; F405-E414 HydrophobicContact CE1-CG 3.94Å; F405-M418 HydrophobicContact CZ-SD 4.09Å
406L90.2Very high91Very high34 Ų3429.3 Ų29.318%0.17814%0.14CC..EExtended strand (participates in β ladder)trans-86.5143.3167.7-64.5173.1000109.4L379 P381 Y392 D408L379-L406 HydrophobicContact CB-CD2 4.26Å; L379-L406 HydrophobicContact CD2-CD2 3.69Å; L379-L406 WeakPolarHBondContact O-CA 3.2Å; P381-L406 HydrophobicContact CB-CD2 4.43Å; P381-L406 HydrophobicContact CG-CD2 4.39Å; Y392-L406 HydrophobicContact CD1-CD1 4.16Å; Y392-L406 HydrophobicContact CD1-CD2 4.32Å; Y392-L406 HydrophobicContact CD1-CG 4.36Å; Y392-L406 HydrophobicContact CD2-CD2 3.68Å; Y392-L406 HydrophobicContact CD2-CG 3.89Å; Y392-L406 HydrophobicContact CE1-CD1 3.93Å; Y392-L406 HydrophobicContact CE1-CG 4.22Å; Y392-L406 HydrophobicContact CE2-CD1 4.37Å; Y392-L406 HydrophobicContact CE2-CD2 4.1Å; Y392-L406 HydrophobicContact CE2-CG 3.77Å; Y392-L406 HydrophobicContact CG-CD1 4.46Å; Y392-L406 HydrophobicContact CG-CD2 3.81Å; Y392-L406 HydrophobicContact CG-CG 4.2Å; L406-D408 VanDerWaalsContact CB-OD1 3.24Å; L406-D408 WeakPolarHBondContact CB-OD1 3.41Å
407L91Very high91Very high0 Ų035 Ų350%016%0.164CC..SBendtrans-94.1-7-176.7-68.5177000114.3F378 L379 N380 E409 P412 T435 W438 V439F378-L407 HydrophobicContact CB-CD1 4.1Å; F378-L407 HydrophobicContact CB-CD2 3.95Å; F378-L407 HydrophobicContact CB-CG 4.09Å; F378-L407 HydrophobicContact CD1-CD2 3.74Å; F378-L407 HydrophobicContact CG-CD2 4.11Å; L379-L407 PolarHBondContact O-N 3.18Å; N380-L407 HydrophobicContact CB-CD1 4.26Å; L407-E409 VanDerWaalsContact C-N 3.3Å; L407-E409 PolarHBondContact O-N 2.71Å; L407-P412 HydrophobicContact CD2-CB 3.74Å; L407-P412 HydrophobicContact CD2-CG 4.39Å; L407-T435 HydrophobicContact CD1-CG2 3.32Å; L407-W438 HydrophobicContact CB-CE3 4.5Å; L407-W438 HydrophobicContact CB-CH2 4.43Å; L407-W438 HydrophobicContact CB-CZ3 3.96Å; L407-W438 HydrophobicContact CD1-CE3 4.49Å; L407-W438 WeakPolarHBondContact O-CH2 3.31Å; L407-W438 WeakPolarHBondContact O-CZ3 3.45Å; L407-V439 HydrophobicContact CD1-CG2 4.27Å
408D82.7Confident90.8Very high66 Ų6635.5 Ų35.535%0.35317%0.168SC..SBendtrans-70-19-170.449.8-17000115.3P381 L406P381-D408 HydrophobicContact CG-CB 3.8Å; P381-D408 VanDerWaalsContact CG-OD2 3.29Å; P381-D408 WeakPolarHBondContact CG-OD2 3.31Å; L406-D408 VanDerWaalsContact CB-OD1 3.24Å; L406-D408 WeakPolarHBondContact CB-OD1 3.41Å
409E71.3Confident90.7Very high109 Ų10935.1 Ų35.151%0.50917%0.166SC..SBendtrans-117-70.9-175.9-53.8-162.7140.300113.2R195 L407 G411R195-E409 IonicContact CZ-OE1 3.05Å; R195-E409 IonicContact CZ-OE2 3.52Å; R195-E409 IonicContact NE-OE2 2.83Å; R195-E409 IonicContact NH1-OE1 2.87Å; R195-E409 PolarHBondContact NH1-OE1 2.9Å; R195-E409 IonicContact NH1-OE2 3.35Å; R195-E409 PolarHBondContact NH1-OE2 3.31Å; R195-E409 IonicContact NH2-OE1 3.88Å; R195-E409 PolarHBondContact NH2-OE1 2.75Å; R195-E409 IonicContact NH2-OE2 3.2Å; R195-E409 PolarHBondContact NH2-OE2 3.48Å; L407-E409 VanDerWaalsContact C-N 3.3Å; L407-E409 PolarHBondContact O-N 2.71Å; E409-G411 VanDerWaalsContact C-N 3.28Å; E409-G411 PolarHBondContact O-N 2.76Å
410N76.8Confident90.5Very high101 Ų10139 Ų3954%0.5418%0.184SC..SBendtrans-90.98.5-174.9-62.5-32.5000113E414N410-E414 PolarHBondContact ND2-OE2 3.36Å
411G89.6Confident90.2Very high4 Ų446 Ų464%0.04122%0.217CC..THydrogen-bonded Turntrans54.1-152.2-17000000112.2E409E409-G411 VanDerWaalsContact C-N 3.28Å; E409-G411 PolarHBondContact O-N 2.76Å
412P95.3Very high90.2Very high0 Ų045.7 Ų45.70%021%0.214CC..THydrogen-bonded Turntrans-82.6-9.4-178.232.8-36.7000114.1F378 L407 E414 G415 L416 V439 A442F378-P412 HydrophobicContact CD1-CB 3.99Å; F378-P412 HydrophobicContact CE1-CB 3.8Å; F378-P412 VanDerWaalsContact CE1-O 3.25Å; F378-P412 WeakPolarHBondContact CE1-O 3.28Å; F378-P412 HydrophobicContact CE2-CB 4.48Å; F378-P412 HydrophobicContact CG-CB 4.42Å; F378-P412 HydrophobicContact CZ-CB 4.06Å; F378-P412 WeakPolarHBondContact CZ-O 3.41Å; L407-P412 HydrophobicContact CD2-CB 3.74Å; L407-P412 HydrophobicContact CD2-CG 4.39Å; P412-E414 PolarHBondContact O-N 3.26Å; P412-G415 PolarHBondContact O-N 2.91Å; P412-L416 HydrophobicContact CB-CD1 3.92Å; P412-L416 HydrophobicContact CB-CG 4.21Å; P412-L416 HydrophobicContact CG-CD1 4.17Å; P412-L416 VanDerWaalsContact O-CG 3.24Å; P412-L416 WeakPolarHBondContact O-CG 3.5Å; P412-L416 PolarHBondContact O-N 3.26Å; P412-V439 HydrophobicContact CB-CG2 4.27Å; P412-A442 HydrophobicContact CB-CB 4.27Å; P412-A442 HydrophobicContact CG-CB 3.24Å
413Y94.4Very high90.2Very high72 Ų7248.8 Ų48.828%0.28223%0.226SC..Hα-helixtrans-64.3-37.6-163.9-66.2-77.2000114.6L416 K417 A442 Q445 V446Y413-L416 PolarHBondContact O-N 2.94Å; Y413-K417 VanDerWaalsContact O-CB 3.3Å; Y413-K417 WeakPolarHBondContact O-CB 3.29Å; Y413-K417 VanDerWaalsContact O-CG 3.26Å; Y413-K417 WeakPolarHBondContact O-CG 3.49Å; Y413-K417 PolarHBondContact O-N 3.2Å; Y413-A442 HydrophobicContact CD1-CB 4.28Å; Y413-A442 HydrophobicContact CE1-CB 3.81Å; Y413-Q445 PolarHBondContact OH-NE2 3Å; Y413-Q445 PolarHBondContact OH-OE1 3.37Å; Y413-V446 HydrophobicContact CD1-CG2 4Å
414E89.2Confident89.9Confident98 Ų9854.2 Ų54.246%0.45825%0.251SS..Hα-helixtrans-60.3-52.2179.2-172.7-171.8155.100111.1F405 N410 P412 K417 M418F405-E414 HydrophobicContact CD1-CB 4.41Å; F405-E414 HydrophobicContact CD1-CG 4.4Å; F405-E414 HydrophobicContact CE1-CB 4.35Å; F405-E414 HydrophobicContact CE1-CG 3.94Å; N410-E414 PolarHBondContact ND2-OE2 3.36Å; P412-E414 PolarHBondContact O-N 3.26Å; E414-K417 PolarHBondContact O-N 3.49Å; E414-M418 PolarHBondContact O-N 3.44Å
415G93.4Very high90Very high0 Ų054 Ų540%025%0.25CS..Hα-helixtrans-65.1-40.1177.800000112.7P412 M418 F419P412-G415 PolarHBondContact O-N 2.91Å; G415-M418 PolarHBondContact O-N 3.24Å; G415-F419 PolarHBondContact O-N 3.44Å; G415-F419 VanDerWaalsContact O-N 3.12Å
416L95.9Very high90.3Very high0 Ų053.1 Ų53.10%025%0.247CC..Hα-helixtrans-63.8-44.7177.2-68.1177.4000111.7L376 F378 P412 Y413 F419 Q420 I427 A442 M443 V446 F447L376-L416 HydrophobicContact CD2-CD2 4.44Å; F378-L416 HydrophobicContact CE2-CD2 3.72Å; F378-L416 HydrophobicContact CE2-CG 4.15Å; F378-L416 HydrophobicContact CZ-CD2 3.74Å; F378-L416 HydrophobicContact CZ-CG 3.7Å; P412-L416 HydrophobicContact CB-CD1 3.92Å; P412-L416 HydrophobicContact CB-CG 4.21Å; P412-L416 HydrophobicContact CG-CD1 4.17Å; P412-L416 VanDerWaalsContact O-CG 3.24Å; P412-L416 WeakPolarHBondContact O-CG 3.5Å; P412-L416 PolarHBondContact O-N 3.26Å; Y413-L416 PolarHBondContact O-N 2.94Å; L416-F419 CarbonylContact O-C 3.49Å; L416-F419 PolarHBondContact O-N 2.81Å; L416-Q420 WeakPolarHBondContact O-CA 3.43Å; L416-Q420 PolarHBondContact O-N 3.2Å; L416-I427 HydrophobicContact CD2-CD1 4.03Å; L416-A442 HydrophobicContact CD1-CB 3.53Å; L416-M443 HydrophobicContact CD1-CG 4.21Å; L416-M443 HydrophobicContact CD2-CG 3.74Å; L416-V446 HydrophobicContact CB-CB 4.16Å; L416-V446 HydrophobicContact CB-CG1 3.95Å; L416-V446 HydrophobicContact CB-CG2 4.03Å; L416-V446 HydrophobicContact CD1-CG2 4.22Å; L416-F447 HydrophobicContact CD2-CE2 3.72Å; L416-F447 HydrophobicContact CD2-CZ 4.41Å
417K92.1Very high90.7Very high122 Ų12251.5 Ų51.553%0.5324%0.238SC..Hα-helixtrans-63.4-40.9176.8-75.4176.8-179.6179.50111.5Y413 E414 F419 Q420 V446Y413-K417 VanDerWaalsContact O-CB 3.3Å; Y413-K417 WeakPolarHBondContact O-CB 3.29Å; Y413-K417 VanDerWaalsContact O-CG 3.26Å; Y413-K417 WeakPolarHBondContact O-CG 3.49Å; Y413-K417 PolarHBondContact O-N 3.2Å; E414-K417 PolarHBondContact O-N 3.49Å; K417-F419 VanDerWaalsContact C-N 3.26Å; K417-F419 PolarHBondContact O-N 2.71Å; K417-Q420 WeakPolarHBondContact O-CB 3.45Å; K417-Q420 PolarHBondContact O-N 3.17Å; K417-V446 HydrophobicContact CG-CG1 4.45Å
418M90.2Very high91.1Very high32 Ų3251.6 Ų51.616%0.15824%0.238CC..Hα-helixtrans-60.1-36.3175.7-178.9176.3-178.200112.3I328 F364 I366 R402 F405 E414 G415I328-M418 HydrophobicContact CD1-CE 4.22Å; I328-M418 HydrophobicContact CG2-CE 4.04Å; F364-M418 HydrophobicContact CB-CE 4.35Å; F364-M418 HydrophobicContact CD2-CE 3.71Å; F364-M418 HydrophobicContact CD2-SD 4.29Å; F364-M418 HydrophobicContact CE2-CE 4.33Å; F364-M418 HydrophobicContact CG-CE 4.17Å; I366-M418 HydrophobicContact CD1-CE 3.94Å; I366-M418 HydrophobicContact CD1-CG 4.04Å; I366-M418 WeakPolarHBondContact CD1-O 3.19Å; R402-M418 HydrophobicContact CB-CE 3.99Å; R402-M418 HydrophobicContact CB-SD 4.41Å; F405-M418 HydrophobicContact CZ-SD 4.09Å; E414-M418 PolarHBondContact O-N 3.44Å; G415-M418 PolarHBondContact O-N 3.24Å
419F94Very high91.7Very high0 Ų048.4 Ų48.40%022%0.222CC..THydrogen-bonded Turntrans-99.17.4-178.5-83.6-113000113.8L323 I366 P374 L376 Q403 G415 L416 K417 Q421 V422 C425L323-F419 HydrophobicContact CD2-CE1 4.42Å; L323-F419 HydrophobicContact CD2-CZ 3.79Å; I366-F419 HydrophobicContact CD1-CD2 4.44Å; I366-F419 HydrophobicContact CD1-CE2 4.31Å; P374-F419 HydrophobicContact CB-CE1 3.94Å; L376-F419 HydrophobicContact CB-CD1 4.18Å; L376-F419 HydrophobicContact CB-CE1 4.28Å; L376-F419 HydrophobicContact CB-CG 4.36Å; L376-F419 HydrophobicContact CD1-CD2 3.95Å; L376-F419 HydrophobicContact CD1-CE2 4.06Å; L376-F419 HydrophobicContact CD1-CG 4.42Å; L376-F419 HydrophobicContact CD2-CB 3.9Å; L376-F419 HydrophobicContact CD2-CD1 4.49Å; L376-F419 HydrophobicContact CD2-CD2 4.2Å; L376-F419 HydrophobicContact CD2-CG 3.95Å; L376-F419 HydrophobicContact CG-CD2 4.5Å; L376-F419 HydrophobicContact CG-CG 4.49Å; Q403-F419 HydrophobicContact CG-CZ 4.22Å; G415-F419 PolarHBondContact O-N 3.44Å; G415-F419 VanDerWaalsContact O-N 3.12Å; L416-F419 CarbonylContact O-C 3.49Å; L416-F419 PolarHBondContact O-N 2.81Å; K417-F419 VanDerWaalsContact C-N 3.26Å; K417-F419 PolarHBondContact O-N 2.71Å; F419-Q421 PolarHBondContact O-N 3.05Å; F419-Q421 VanDerWaalsContact O-N 3.11Å; F419-V422 HydrophobicContact CB-CB 4.44Å; F419-V422 HydrophobicContact CB-CG2 4.39Å; F419-V422 HydrophobicContact CD1-CB 4.04Å; F419-V422 HydrophobicContact CD1-CG1 4.18Å; F419-V422 HydrophobicContact CD1-CG2 4.08Å; F419-V422 HydrophobicContact CG-CG2 4.31Å; F419-V422 WeakPolarHBondContact O-CB 3.4Å; F419-V422 PolarHBondContact O-N 3.02Å; F419-C425 HydrophobicContact CD1-CB 4Å; F419-C425 HydrophobicContact CE1-CB 4.37Å
420Q92.4Very high92.8Very high81 Ų8143.2 Ų43.238%0.37920%0.197SC..THydrogen-bonded Turntrans-56.4-36.1-171.6-170.9-178.320.300112.9L416 K417 V446L416-Q420 WeakPolarHBondContact O-CA 3.43Å; L416-Q420 PolarHBondContact O-N 3.2Å; K417-Q420 WeakPolarHBondContact O-CB 3.45Å; K417-Q420 PolarHBondContact O-N 3.17Å; Q420-V446 HydrophobicContact CB-CG1 4.2Å; Q420-V446 HydrophobicContact CG-CG1 3.9Å; Q420-V446 PolarHBondContact NE2-O 3.48Å
421Q89Confident93.6Very high148 Ų14838.4 Ų38.469%0.69217%0.172SC*.THydrogen-bonded Turntrans-92.9-3-179.5-57-57-32.100113.7F419 R423F419-Q421 PolarHBondContact O-N 3.05Å; F419-Q421 VanDerWaalsContact O-N 3.11Å; Q421-R423 PolarHBondContact O-N 3.23Å
422V92.9Very high93.7Very high6 Ų638.6 Ų38.64%0.03617%0.174CC..  trans-85.793.8-175.1-174.60000110I366 V368 F419 E424 C425I366-V422 HydrophobicContact CB-CG2 3.87Å; I366-V422 HydrophobicContact CD1-CG2 3.99Å; I366-V422 HydrophobicContact CG2-CG2 3.8Å; V368-V422 HydrophobicContact CG2-CG1 3.51Å; F419-V422 HydrophobicContact CB-CB 4.44Å; F419-V422 HydrophobicContact CB-CG2 4.39Å; F419-V422 HydrophobicContact CD1-CB 4.04Å; F419-V422 HydrophobicContact CD1-CG1 4.18Å; F419-V422 HydrophobicContact CD1-CG2 4.08Å; F419-V422 HydrophobicContact CG-CG2 4.31Å; F419-V422 WeakPolarHBondContact O-CB 3.4Å; F419-V422 PolarHBondContact O-N 3.02Å; V422-E424 VanDerWaalsContact C-N 3.33Å; V422-E424 PolarHBondContact O-N 2.86Å; V422-C425 HydrophobicContact CB-CB 4.49Å; V422-C425 HydrophobicContact CG1-CB 3.83Å; V422-C425 PolarHBondContact O-SG 3.29Å
423R90.4Very high93.6Very high127 Ų12739 Ų3948%0.47918%0.175SC..SBendtrans-68.7-27.7-175.4-56.9-64.4-81.5-124.97.5114.1Q421 D450 F451Q421-R423 PolarHBondContact O-N 3.23Å; R423-D450 IonicContact CZ-OD2 3.99Å; R423-D450 IonicContact NH1-OD2 2.74Å; R423-D450 IonicContact NH2-OD2 3.93Å; R423-D450 PolarHBondContact NH2-OD2 3.1Å; R423-F451 VanDerWaalsContact C-CZ 3.47Å; R423-F451 HydrophobicContact CB-CE2 4.19Å; R423-F451 HydrophobicContact CB-CZ 4.18Å; R423-F451 VanDerWaalsContact NE-CG 3.32Å; R423-F451 WeakPolarHBondContact O-CE2 3.5Å; R423-F451 WeakPolarHBondContact O-CZ 3.5Å
424E90.7Very high93.6Very high113 Ų11337.5 Ų37.553%0.52818%0.182SC..SBendtrans-108.563.9-178.3-62.2-169.4131.200111.2R373 P374 V422R373-E424 WeakPolarHBondContact CA-O 3.41Å; R373-E424 WeakPolarHBondContact CG-O 3.31Å; P374-E424 VanDerWaalsContact CD-O 3.26Å; P374-E424 WeakPolarHBondContact CD-O 3.42Å; V422-E424 VanDerWaalsContact C-N 3.33Å; V422-E424 PolarHBondContact O-N 2.86Å
425C96.7Very high93.8Very high0 Ų033.2 Ų33.20%016%0.163CC..  trans-128162.5173.866.50000113R373 P374 F419 V422 P453R373-C425 VanDerWaalsContact CZ-O 3.25Å; R373-C425 PolarHBondContact NE-O 3.23Å; R373-C425 VanDerWaalsContact NE-O 3.13Å; R373-C425 PolarHBondContact NH2-O 2.83Å; P374-C425 WeakPolarHBondContact O-CA 3.19Å; P374-C425 VanDerWaalsContact O-CB 3.3Å; P374-C425 WeakPolarHBondContact O-CB 3.49Å; F419-C425 HydrophobicContact CD1-CB 4Å; F419-C425 HydrophobicContact CE1-CB 4.37Å; V422-C425 HydrophobicContact CB-CB 4.49Å; V422-C425 HydrophobicContact CG1-CB 3.83Å; V422-C425 PolarHBondContact O-SG 3.29Å; C425-P453 WeakPolarHBondContact SG-CG 3.37Å
426N98.2Very high93.9Very high3 Ų333.2 Ų33.22%0.01616%0.163CC..EExtended strand (participates in β ladder)trans-117.9150.2169-73.8-33.2000108.9R373 P374 L375 L376 L722R373-N426 VanDerWaalsContact CD-ND2 3.35Å; R373-N426 WeakPolarHBondContact CD-ND2 3.23Å; R373-N426 WeakPolarHBondContact CD-OD1 3.43Å; R373-N426 PolarHBondContact NE-OD1 3.24Å; P374-N426 PolarHBondContact O-N 3.31Å; L375-N426 CarbonylContact C-O 3.54Å; L375-N426 WeakPolarHBondContact CA-O 3.24Å; L375-N426 HydrophobicContact CD1-CB 3.68Å; L376-N426 PolarHBondContact N-O 2.9Å; N426-L722 HydrophobicContact CB-CD1 4.02Å
427I98.7Very high94Very high0 Ų033.6 Ų33.60%017%0.165CC..EExtended strand (participates in β ladder)trans-107.4139.2172.4-64.6171.3000108.9L376 F378 L416 V439 M443 F447 P453 P454 V455 A456L376-I427 HydrophobicContact CB-CG1 4.3Å; L376-I427 HydrophobicContact CD2-CG1 4.27Å; L376-I427 CarbonylContact O-C 3.54Å; L376-I427 VanDerWaalsContact O-CA 3.24Å; L376-I427 WeakPolarHBondContact O-CA 3.37Å; F378-I427 HydrophobicContact CD2-CG2 3.69Å; F378-I427 HydrophobicContact CE2-CG2 3.9Å; L416-I427 HydrophobicContact CD2-CD1 4.03Å; I427-V439 HydrophobicContact CG2-CG1 4.25Å; I427-M443 HydrophobicContact CD1-CE 3.92Å; I427-M443 HydrophobicContact CD1-CG 4.25Å; I427-M443 HydrophobicContact CD1-SD 3.64Å; I427-F447 HydrophobicContact CD1-CE2 4.38Å; I427-P453 HydrophobicContact CD1-CB 3.99Å; I427-P453 HydrophobicContact CD1-CG 4.29Å; I427-P453 HydrophobicContact CG1-CB 4.09Å; I427-P454 PolarHBondContact N-O 2.94Å; I427-V455 HydrophobicContact CB-CG2 4.15Å; I427-V455 HydrophobicContact CG2-CG1 4.23Å; I427-V455 HydrophobicContact CG2-CG2 4.4Å; I427-V455 CarbonylContact O-C 3.57Å; I427-V455 WeakPolarHBondContact O-CA 3.33Å; I427-A456 PolarHBondContact O-N 2.67Å
428L98.4Very high94.1Very high1 Ų132.8 Ų32.81%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-116110.1169177.561.4000109.1L375 L376 V377 F378 A456 L458 L488 I491L375-L428 HydrophobicContact CD1-CB 3.94Å; L375-L428 HydrophobicContact CD2-CB 4.15Å; L375-L428 HydrophobicContact CD2-CD2 4.11Å; L375-L428 HydrophobicContact CG-CB 4.1Å; L376-L428 PolarHBondContact O-N 3.39Å; V377-L428 WeakPolarHBondContact CA-O 3.26Å; V377-L428 HydrophobicContact CG1-CB 4.24Å; V377-L428 HydrophobicContact CG1-CD2 4.12Å; V377-L428 HydrophobicContact CG1-CG 4.26Å; V377-L428 HydrophobicContact CG2-CB 4.2Å; V377-L428 HydrophobicContact CG2-CD2 4.37Å; F378-L428 PolarHBondContact N-O 2.97Å; L428-A456 WeakPolarHBondContact CA-O 3.35Å; L428-A456 HydrophobicContact CD1-CB 3.88Å; L428-L458 HydrophobicContact CD1-CB 4.08Å; L428-L488 HydrophobicContact CD2-CD2 4.41Å; L428-I491 HydrophobicContact CD1-CD1 3.86Å; L428-I491 HydrophobicContact CD2-CD1 4.13Å; L428-I491 HydrophobicContact CG-CD1 4.41Å
429C97Very high94.5Very high0 Ų031.3 Ų31.30%015%0.151CC..EExtended strand (participates in β ladder)trans-91.2117.1173.4-175.10000110.4T435 V436 V455 A456 V457 L458C429-T435 VanDerWaalsContact SG-CG2 3.56Å; C429-V436 HydrophobicContact CB-CG2 4.19Å; C429-V455 HydrophobicContact CB-CG1 4.1Å; C429-A456 PolarHBondContact N-O 3.13Å; C429-V457 WeakPolarHBondContact O-CA 3.38Å; C429-L458 PolarHBondContact O-N 3.38Å
430C94.2Very high94.7Very high0 Ų031.3 Ų31.30%015%0.151CC..EExtended strand (participates in β ladder)trans-104.695.8-179-59.50000110.2F378 L379 N380 L458 L460F378-C430 WeakPolarHBondContact O-CB 3.4Å; F378-C430 PolarHBondContact O-N 3.32Å; L379-C430 HydrophobicContact CB-CB 4.27Å; L379-C430 HydrophobicContact CD1-CB 3.4Å; L379-C430 VanDerWaalsContact CD1-CB 3.4Å; L379-C430 HydrophobicContact CG-CB 3.99Å; N380-C430 PolarHBondContact N-O 3.06Å; C430-L458 HydrophobicContact CB-CB 4.18Å; C430-L458 HydrophobicContact CB-CD2 4.12Å; C430-L460 HydrophobicContact CB-CD1 3.83Å
431G92.2Very high94.8Very high0 Ų029.1 Ų29.10%014%0.142CC..EExtended strand (participates in β ladder)trans-178.2-160.5-170.900000113.2L458 L460 G461 N464G431-L458 PolarHBondContact N-O 3.12Å; G431-L458 VanDerWaalsContact N-O 3.13Å; G431-L460 PolarHBondContact O-N 2.89Å; G431-G461 PolarHBondContact O-N 3.4Å; G431-G461 VanDerWaalsContact O-N 3.12Å; G431-N464 PolarHBondContact O-OD1 3.13Å
432G91.6Very high95.2Very high8 Ų822.1 Ų22.18%0.08211%0.109CC..  trans-99.2-172.3164.900000111.6G434 T435 V436 G463G432-G434 PolarHBondContact O-N 3.45Å; G432-T435 PolarHBondContact N-OG1 3.2Å; G432-T435 WeakPolarHBondContact O-CB 3.25Å; G432-T435 PolarHBondContact O-N 2.98Å; G432-V436 PolarHBondContact O-N 3.43Å; G432-G463 VanDerWaalsContact CA-O 3.31Å; G432-G463 WeakPolarHBondContact CA-O 3.44Å
433D94.7Very high95.4Very high7 Ų721.9 Ų21.94%0.03711%0.108CC..Hα-helixtrans-56-44.9-178.5-61.1-40.3000112.5T435 V436 N437 G463 N464 D465 L466 N525D433-T435 VanDerWaalsContact C-N 3.3Å; D433-T435 PolarHBondContact O-N 3.17Å; D433-V436 WeakPolarHBondContact O-CA 3.39Å; D433-V436 WeakPolarHBondContact O-CB 3.37Å; D433-V436 PolarHBondContact O-N 3.17Å; D433-N437 PolarHBondContact O-N 2.67Å; D433-G463 PolarHBondContact N-O 3.14Å; D433-N464 WeakPolarHBondContact OD1-CA 3.23Å; D433-N464 WeakPolarHBondContact OD2-CA 3.35Å; D433-N464 PolarHBondContact OD2-N 3.16Å; D433-N464 VanDerWaalsContact OD2-N 3.08Å; D433-D465 PolarHBondContact OD1-N 3.24Å; D433-D465 VanDerWaalsContact OD1-N 3.17Å; D433-D465 PolarHBondContact OD2-N 3.41Å; D433-L466 WeakPolarHBondContact OD1-CB 3.42Å; D433-L466 PolarHBondContact OD1-N 3.08Å; D433-L466 VanDerWaalsContact OD1-N 3.14Å; D433-N525 WeakPolarHBondContact CB-ND2 3.03Å
434G93Very high95.6Very high41 Ų4117.5 Ų17.542%0.4239%0.094SC..Hα-helixtrans-60.8-32.5175.600000114.6G432 V436 N437 W438G432-G434 PolarHBondContact O-N 3.45Å; G434-V436 VanDerWaalsContact C-N 3.34Å; G434-N437 PolarHBondContact O-N 3.45Å; G434-W438 PolarHBondContact O-N 3.49Å
435T93.5Very high95.8Very high8 Ų818.5 Ų18.55%0.04910%0.099CC..Hα-helixtrans-67.6-37.7172.8-50.90000111.1N380 L407 C429 G432 D433 V439N380-T435 HydrophobicContact CB-CG2 3.75Å; N380-T435 PolarHBondContact ND2-OG1 2.89Å; L407-T435 HydrophobicContact CD1-CG2 3.32Å; C429-T435 VanDerWaalsContact SG-CG2 3.56Å; G432-T435 PolarHBondContact N-OG1 3.2Å; G432-T435 WeakPolarHBondContact O-CB 3.25Å; G432-T435 PolarHBondContact O-N 2.98Å; D433-T435 VanDerWaalsContact C-N 3.3Å; D433-T435 PolarHBondContact O-N 3.17Å; T435-V439 WeakPolarHBondContact O-CG2 3.41Å; T435-V439 PolarHBondContact O-N 2.81Å
436V96.9Very high95.7Very high0 Ų019.1 Ų19.10%010%0.102CC..Hα-helixtrans-66.8-45.7177.4-176.40000109.9C429 G432 D433 G434 W438 V439 L440 V457 L466 M721C429-V436 HydrophobicContact CB-CG2 4.19Å; G432-V436 PolarHBondContact O-N 3.43Å; D433-V436 WeakPolarHBondContact O-CA 3.39Å; D433-V436 WeakPolarHBondContact O-CB 3.37Å; D433-V436 PolarHBondContact O-N 3.17Å; G434-V436 VanDerWaalsContact C-N 3.34Å; V436-W438 VanDerWaalsContact C-N 3.35Å; V436-W438 PolarHBondContact O-N 3.27Å; V436-V439 PolarHBondContact O-N 3.44Å; V436-L440 HydrophobicContact CG1-CD1 3.92Å; V436-L440 HydrophobicContact CG1-CG 4.16Å; V436-L440 VanDerWaalsContact O-CG 3.31Å; V436-L440 WeakPolarHBondContact O-CG 3.2Å; V436-L440 PolarHBondContact O-N 3.32Å; V436-V457 HydrophobicContact CG1-CG2 4.41Å; V436-V457 HydrophobicContact CG2-CG1 3.92Å; V436-V457 HydrophobicContact CG2-CG2 3.83Å; V436-L466 HydrophobicContact CB-CD2 4.26Å; V436-L466 HydrophobicContact CG1-CD2 3.68Å; V436-M721 HydrophobicContact CG1-CE 4.18Å
437N96.3Very high95.5Very high9 Ų919.4 Ų19.45%0.04810%0.104CC..Hα-helixtrans-55.3-49.3175.5-74.4-8.1000111.7D433 G434 V439 L440 D441 T524 D700D433-N437 PolarHBondContact O-N 2.67Å; G434-N437 PolarHBondContact O-N 3.45Å; N437-V439 VanDerWaalsContact C-N 3.31Å; N437-V439 PolarHBondContact O-N 3.26Å; N437-L440 PolarHBondContact O-N 2.83Å; N437-L440 VanDerWaalsContact O-N 3.1Å; N437-D441 VanDerWaalsContact O-CG 3.28Å; N437-D441 PolarHBondContact O-N 3Å; N437-T524 WeakPolarHBondContact OD1-CB 3.48Å; N437-T524 WeakPolarHBondContact OD1-CG2 3.44Å; N437-T524 PolarHBondContact OD1-OG1 3.21Å; N437-D700 PolarHBondContact ND2-OD2 3Å
438W95.5Very high95.1Very high105 Ų10522.2 Ų22.240%0.39812%0.124SC..Hα-helixtrans-56.7-43.6178-174.515.7000112.9L407 G434 V436 A442L407-W438 HydrophobicContact CB-CE3 4.5Å; L407-W438 HydrophobicContact CB-CH2 4.43Å; L407-W438 HydrophobicContact CB-CZ3 3.96Å; L407-W438 HydrophobicContact CD1-CE3 4.49Å; L407-W438 WeakPolarHBondContact O-CH2 3.31Å; L407-W438 WeakPolarHBondContact O-CZ3 3.45Å; G434-W438 PolarHBondContact O-N 3.49Å; V436-W438 VanDerWaalsContact C-N 3.35Å; V436-W438 PolarHBondContact O-N 3.27Å; W438-A442 WeakPolarHBondContact O-CB 3.17Å; W438-A442 PolarHBondContact O-N 2.83Å
439V97.6Very high94.5Very high0 Ų027.2 Ų27.20%016%0.158CC..Hα-helixtrans-65.7-43.7176.6173.40000111.3F378 L407 P412 I427 T435 V436 N437 D441 A442 M443F378-V439 HydrophobicContact CB-CG2 4.13Å; F378-V439 HydrophobicContact CD2-CG1 3.92Å; F378-V439 HydrophobicContact CD2-CG2 4.16Å; F378-V439 HydrophobicContact CE2-CG1 4.22Å; F378-V439 HydrophobicContact CG-CG2 4.24Å; L407-V439 HydrophobicContact CD1-CG2 4.27Å; P412-V439 HydrophobicContact CB-CG2 4.27Å; I427-V439 HydrophobicContact CG2-CG1 4.25Å; T435-V439 WeakPolarHBondContact O-CG2 3.41Å; T435-V439 PolarHBondContact O-N 2.81Å; V436-V439 PolarHBondContact O-N 3.44Å; N437-V439 VanDerWaalsContact C-N 3.31Å; N437-V439 PolarHBondContact O-N 3.26Å; V439-D441 VanDerWaalsContact C-N 3.35Å; V439-D441 PolarHBondContact O-N 2.93Å; V439-A442 PolarHBondContact O-N 3.14Å; V439-M443 HydrophobicContact CG1-CG 4.42Å; V439-M443 HydrophobicContact CG1-SD 4Å; V439-M443 WeakPolarHBondContact O-CB 3.35Å; V439-M443 WeakPolarHBondContact O-CG 3.29Å; V439-M443 PolarHBondContact O-N 2.8Å
440L98Very high94Very high0 Ų032.4 Ų32.40%019%0.186CC..Hα-helixtrans-65.1-36.5179.5-67.6176.6000112.6V436 N437 M443 D444 V455 R501 T524 V719 M721V436-L440 HydrophobicContact CG1-CD1 3.92Å; V436-L440 HydrophobicContact CG1-CG 4.16Å; V436-L440 VanDerWaalsContact O-CG 3.31Å; V436-L440 WeakPolarHBondContact O-CG 3.2Å; V436-L440 PolarHBondContact O-N 3.32Å; N437-L440 PolarHBondContact O-N 2.83Å; N437-L440 VanDerWaalsContact O-N 3.1Å; L440-M443 HydrophobicContact CD2-SD 4.08Å; L440-M443 WeakPolarHBondContact O-CB 3.23Å; L440-M443 PolarHBondContact O-N 3.45Å; L440-D444 PolarHBondContact O-N 3.06Å; L440-D444 VanDerWaalsContact O-N 3.15Å; L440-V455 HydrophobicContact CD2-CG2 3.86Å; L440-R501 PolarHBondContact O-NH1 3.26Å; L440-T524 HydrophobicContact CD1-CG2 4.09Å; L440-V719 HydrophobicContact CD1-CG2 4.15Å; L440-V719 HydrophobicContact CD2-CB 4.18Å; L440-V719 HydrophobicContact CD2-CG1 4.25Å; L440-V719 HydrophobicContact CD2-CG2 3.97Å; L440-M721 HydrophobicContact CD2-SD 4.27Å
441D95.7Very high93.7Very high35 Ų3533.8 Ų33.819%0.18719%0.192CC..Hα-helixtrans-71.9-39.5177.7-66.2-20.7000111.2N437 V439 M443 D444 Q445 R501N437-D441 VanDerWaalsContact O-CG 3.28Å; N437-D441 PolarHBondContact O-N 3Å; V439-D441 VanDerWaalsContact C-N 3.35Å; V439-D441 PolarHBondContact O-N 2.93Å; D441-M443 VanDerWaalsContact C-N 3.31Å; D441-M443 PolarHBondContact O-N 2.96Å; D441-D444 WeakPolarHBondContact O-CB 3.38Å; D441-D444 PolarHBondContact O-N 2.81Å; D441-Q445 PolarHBondContact O-N 3.48Å; D441-R501 IonicContact OD1-NH1 3.74Å; D441-R501 PolarHBondContact OD1-NH1 3.46Å
442A96.9Very high93.8Very high1 Ų135.5 Ų35.51%0.00820%0.199CC..Hα-helixtrans-66.2-34.4171.900000112.4P412 Y413 L416 W438 V439 D444 Q445 V446P412-A442 HydrophobicContact CB-CB 4.27Å; P412-A442 HydrophobicContact CG-CB 3.24Å; Y413-A442 HydrophobicContact CD1-CB 4.28Å; Y413-A442 HydrophobicContact CE1-CB 3.81Å; L416-A442 HydrophobicContact CD1-CB 3.53Å; W438-A442 WeakPolarHBondContact O-CB 3.17Å; W438-A442 PolarHBondContact O-N 2.83Å; V439-A442 PolarHBondContact O-N 3.14Å; A442-D444 VanDerWaalsContact C-N 3.27Å; A442-D444 PolarHBondContact O-N 2.89Å; A442-Q445 PolarHBondContact O-N 2.97Å; A442-Q445 VanDerWaalsContact O-N 3.16Å; A442-V446 WeakPolarHBondContact O-CG2 3.39Å; A442-V446 PolarHBondContact O-N 3.25Å; A442-V446 VanDerWaalsContact O-N 3.08Å
443M97.3Very high94Very high1 Ų135.1 Ų35.11%0.00520%0.195CC..Hα-helixtrans-62.4-33.1172.8-75.417063.800112.3L416 I427 V439 L440 D441 Q445 F447 R452 P453 V455L416-M443 HydrophobicContact CD1-CG 4.21Å; L416-M443 HydrophobicContact CD2-CG 3.74Å; I427-M443 HydrophobicContact CD1-CE 3.92Å; I427-M443 HydrophobicContact CD1-CG 4.25Å; I427-M443 HydrophobicContact CD1-SD 3.64Å; V439-M443 HydrophobicContact CG1-CG 4.42Å; V439-M443 HydrophobicContact CG1-SD 4Å; V439-M443 WeakPolarHBondContact O-CB 3.35Å; V439-M443 WeakPolarHBondContact O-CG 3.29Å; V439-M443 PolarHBondContact O-N 2.8Å; L440-M443 HydrophobicContact CD2-SD 4.08Å; L440-M443 WeakPolarHBondContact O-CB 3.23Å; L440-M443 PolarHBondContact O-N 3.45Å; D441-M443 VanDerWaalsContact C-N 3.31Å; D441-M443 PolarHBondContact O-N 2.96Å; M443-Q445 VanDerWaalsContact C-N 3.26Å; M443-Q445 PolarHBondContact O-N 3.33Å; M443-F447 HydrophobicContact CB-CD2 3.98Å; M443-F447 HydrophobicContact CG-CD2 3.95Å; M443-F447 HydrophobicContact CG-CE2 4.01Å; M443-F447 WeakPolarHBondContact O-CB 3.35Å; M443-F447 PolarHBondContact O-N 3.21Å; M443-R452 HydrophobicContact CE-CB 4.02Å; M443-P453 VanDerWaalsContact CE-O 3.31Å; M443-P453 WeakPolarHBondContact CE-O 3.45Å; M443-V455 HydrophobicContact CE-CG2 3.86Å; M443-V455 HydrophobicContact SD-CG2 3.67Å
444D95.6Very high94.2Very high35 Ų3534.8 Ų34.819%0.18719%0.193CC..Hα-helixtrans-64.6-31.5174.6-74.5-29.2000113.2L440 D441 A442 R452 R501 K716 N717L440-D444 PolarHBondContact O-N 3.06Å; L440-D444 VanDerWaalsContact O-N 3.15Å; D441-D444 WeakPolarHBondContact O-CB 3.38Å; D441-D444 PolarHBondContact O-N 2.81Å; A442-D444 VanDerWaalsContact C-N 3.27Å; A442-D444 PolarHBondContact O-N 2.89Å; D444-R452 IonicContact OD1-CZ 3.79Å; D444-R452 IonicContact OD1-NE 3.85Å; D444-R452 PolarHBondContact OD1-NE 3.21Å; D444-R452 IonicContact OD1-NH2 3.74Å; D444-R452 PolarHBondContact OD1-NH2 3.38Å; D444-R501 IonicContact OD1-CZ 2.73Å; D444-R501 IonicContact OD1-NH1 3.6Å; D444-R501 IonicContact OD1-NH2 2.75Å; D444-R501 PolarHBondContact OD1-NH2 3.33Å; D444-R501 IonicContact OD2-CZ 3.28Å; D444-R501 IonicContact OD2-NH1 3.57Å; D444-R501 PolarHBondContact OD2-NH1 2.73Å; D444-R501 IonicContact OD2-NH2 3.45Å; D444-R501 PolarHBondContact OD2-NH2 3.05Å; D444-K716 IonicContact OD2-NZ 3.39Å; D444-K716 PolarHBondContact OD2-NZ 2.8Å; D444-N717 PolarHBondContact OD1-ND2 3.36Å; D444-N717 VanDerWaalsContact OD1-ND2 3.09Å
445Q94.8Very high94.5Very high134 Ų13432.8 Ų32.863%0.62617%0.173SC*.Hα-helixtrans-82.3-33.1-179.4-61.4174.325.700112.3Y413 D441 A442 M443Y413-Q445 PolarHBondContact OH-NE2 3Å; Y413-Q445 PolarHBondContact OH-OE1 3.37Å; D441-Q445 PolarHBondContact O-N 3.48Å; A442-Q445 PolarHBondContact O-N 2.97Å; A442-Q445 VanDerWaalsContact O-N 3.16Å; M443-Q445 VanDerWaalsContact C-N 3.26Å; M443-Q445 PolarHBondContact O-N 3.33Å
446V94.2Very high94.7Very high13 Ų1332.4 Ų32.48%0.07917%0.17CC..Hα-helixtrans-93.4-40.4-174177.70000112.5Y413 L416 K417 Q420 A442Y413-V446 HydrophobicContact CD1-CG2 4Å; L416-V446 HydrophobicContact CB-CB 4.16Å; L416-V446 HydrophobicContact CB-CG1 3.95Å; L416-V446 HydrophobicContact CB-CG2 4.03Å; L416-V446 HydrophobicContact CD1-CG2 4.22Å; K417-V446 HydrophobicContact CG-CG1 4.45Å; Q420-V446 HydrophobicContact CB-CG1 4.2Å; Q420-V446 HydrophobicContact CG-CG1 3.9Å; Q420-V446 PolarHBondContact NE2-O 3.48Å; A442-V446 WeakPolarHBondContact O-CG2 3.39Å; A442-V446 PolarHBondContact O-N 3.25Å; A442-V446 VanDerWaalsContact O-N 3.08Å
447F94.3Very high94.7Very high9 Ų932.4 Ų32.44%0.03917%0.17CC..SBendtrans-97.7146.4-176.8-68.1-70.7000111.9L416 I427 M443 F451 R452 P453L416-F447 HydrophobicContact CD2-CE2 3.72Å; L416-F447 HydrophobicContact CD2-CZ 4.41Å; I427-F447 HydrophobicContact CD1-CE2 4.38Å; M443-F447 HydrophobicContact CB-CD2 3.98Å; M443-F447 HydrophobicContact CG-CD2 3.95Å; M443-F447 HydrophobicContact CG-CE2 4.01Å; M443-F447 WeakPolarHBondContact O-CB 3.35Å; M443-F447 PolarHBondContact O-N 3.21Å; F447-F451 WeakPolarHBondContact CB-O 3.21Å; F447-F451 HydrophobicContact CD1-CD1 4.32Å; F447-F451 HydrophobicContact CD1-CE1 4.41Å; F447-F451 HydrophobicContact CE1-CE1 4.32Å; F447-R452 HydrophobicContact CB-CG 3.97Å; F447-P453 HydrophobicContact CE1-CG 4Å; F447-P453 HydrophobicContact CE2-CG 4.03Å; F447-P453 HydrophobicContact CZ-CG 3.64Å
448S89.6Confident94.6Very high60 Ų6032 Ų3242%0.4217%0.168SC..  trans-69.3158.7173.856.30000111.7D450 F451S448-D450 WeakPolarHBondContact CB-OD1 3.38Å; S448-D450 PolarHBondContact O-N 3.46Å; S448-D450 PolarHBondContact OG-OD1 2.81Å; S448-F451 CarbonylContact O-C 3.53Å; S448-F451 PolarHBondContact O-N 2.71Å; S448-F451 VanDerWaalsContact O-O 3.07Å
449S86Confident94.5Very high105 Ų10527.2 Ų27.273%0.73415%0.151SC*.THydrogen-bonded Turntrans-65.8-24.5-17753.60000114.1F451S449-F451 VanDerWaalsContact C-N 3.34Å
450D86.5Confident94.1Very high109 Ų10927.3 Ų27.358%0.58315%0.151SC*.THydrogen-bonded Turntrans-76.8-18.7178.365.9-60.3000113.3R423 S448R423-D450 IonicContact CZ-OD2 3.99Å; R423-D450 IonicContact NH1-OD2 2.74Å; R423-D450 IonicContact NH2-OD2 3.93Å; R423-D450 PolarHBondContact NH2-OD2 3.1Å; S448-D450 WeakPolarHBondContact CB-OD1 3.38Å; S448-D450 PolarHBondContact O-N 3.46Å; S448-D450 PolarHBondContact OG-OD1 2.81Å
451F87.8Confident93.4Very high30 Ų3027.7 Ų27.713%0.13216%0.155CC..  trans-147.1114.6-174.7178.1-100.3000112.7R423 F447 S448 S449 P453R423-F451 VanDerWaalsContact C-CZ 3.47Å; R423-F451 HydrophobicContact CB-CE2 4.19Å; R423-F451 HydrophobicContact CB-CZ 4.18Å; R423-F451 VanDerWaalsContact NE-CG 3.32Å; R423-F451 WeakPolarHBondContact O-CE2 3.5Å; R423-F451 WeakPolarHBondContact O-CZ 3.5Å; F447-F451 WeakPolarHBondContact CB-O 3.21Å; F447-F451 HydrophobicContact CD1-CD1 4.32Å; F447-F451 HydrophobicContact CD1-CE1 4.41Å; F447-F451 HydrophobicContact CE1-CE1 4.32Å; S448-F451 CarbonylContact O-C 3.53Å; S448-F451 PolarHBondContact O-N 2.71Å; S448-F451 VanDerWaalsContact O-O 3.07Å; S449-F451 VanDerWaalsContact C-N 3.34Å; F451-P453 HydrophobicContact CE1-CG 3.9Å; F451-P453 HydrophobicContact CZ-CG 3.93Å
452R93.9Very high92.8Very high35 Ų3528 Ų2813%0.13216%0.158CC..  trans-132.7127.7168.5-68.2-171.9-178.382.88110M443 D444 F447M443-R452 HydrophobicContact CE-CB 4.02Å; D444-R452 IonicContact OD1-CZ 3.79Å; D444-R452 IonicContact OD1-NE 3.85Å; D444-R452 PolarHBondContact OD1-NE 3.21Å; D444-R452 IonicContact OD1-NH2 3.74Å; D444-R452 PolarHBondContact OD1-NH2 3.38Å; F447-R452 HydrophobicContact CB-CG 3.97Å
453P96.8Very high92.1Very high0 Ų029.5 Ų29.50%017%0.174CC..  trans-59.7142.5176.1-25.534.6000112.6C425 I427 M443 F447 F451C425-P453 WeakPolarHBondContact SG-CG 3.37Å; I427-P453 HydrophobicContact CD1-CB 3.99Å; I427-P453 HydrophobicContact CD1-CG 4.29Å; I427-P453 HydrophobicContact CG1-CB 4.09Å; M443-P453 VanDerWaalsContact CE-O 3.31Å; M443-P453 WeakPolarHBondContact CE-O 3.45Å; F447-P453 HydrophobicContact CE1-CG 4Å; F447-P453 HydrophobicContact CE2-CG 4.03Å; F447-P453 HydrophobicContact CZ-CG 3.64Å; F451-P453 HydrophobicContact CE1-CG 3.9Å; F451-P453 HydrophobicContact CZ-CG 3.93Å
454P98Very high91.9Very high0 Ų029.5 Ų29.50%017%0.174CC..  trans-62.6141.2173.8-2333.2000113.2I427 I496 Q720 L722I427-P454 PolarHBondContact N-O 2.94Å; P454-I496 HydrophobicContact CB-CG1 4.26Å; P454-I496 HydrophobicContact CG-CD1 3.71Å; P454-I496 HydrophobicContact CG-CG1 3.91Å; P454-I496 HydrophobicContact CG-CG2 4.48Å; P454-Q720 CarbonylContact C-O 3.52Å; P454-Q720 VanDerWaalsContact CA-O 3.27Å; P454-Q720 WeakPolarHBondContact CA-O 3.44Å; P454-Q720 HydrophobicContact CB-CB 4.14Å; P454-Q720 HydrophobicContact CG-CB 4.11Å; P454-L722 HydrophobicContact CB-CD1 4.3Å; P454-L722 HydrophobicContact CB-CD2 3.49Å; P454-L722 VanDerWaalsContact CB-CD2 3.49Å; P454-L722 HydrophobicContact CB-CG 3.63Å; P454-L722 HydrophobicContact CG-CD2 4.3Å
455V98.7Very high91.9Very high0 Ų028 Ų280%017%0.166CC..EExtended strand (participates in β ladder)trans-109123-179.1-173.30000111.8I427 C429 L440 M443 Q720 M721 L722I427-V455 HydrophobicContact CB-CG2 4.15Å; I427-V455 HydrophobicContact CG2-CG1 4.23Å; I427-V455 HydrophobicContact CG2-CG2 4.4Å; I427-V455 CarbonylContact O-C 3.57Å; I427-V455 WeakPolarHBondContact O-CA 3.33Å; C429-V455 HydrophobicContact CB-CG1 4.1Å; L440-V455 HydrophobicContact CD2-CG2 3.86Å; M443-V455 HydrophobicContact CE-CG2 3.86Å; M443-V455 HydrophobicContact SD-CG2 3.67Å; V455-Q720 PolarHBondContact N-O 3.42Å; V455-M721 HydrophobicContact CB-CE 3.9Å; V455-M721 HydrophobicContact CB-SD 3.89Å; V455-M721 HydrophobicContact CG1-CE 4.15Å; V455-M721 CarbonylContact O-C 3.58Å; V455-M721 WeakPolarHBondContact O-CA 3.43Å; V455-M721 WeakPolarHBondContact O-CE 3.48Å; V455-L722 PolarHBondContact O-N 3.37Å
456A98.4Very high92Very high0 Ų021.6 Ų21.60%014%0.136CC..EExtended strand (participates in β ladder)trans-93.1155.316400000110.9I427 L428 C429 W472 I491 L722I427-A456 PolarHBondContact O-N 2.67Å; L428-A456 WeakPolarHBondContact CA-O 3.35Å; L428-A456 HydrophobicContact CD1-CB 3.88Å; C429-A456 PolarHBondContact N-O 3.13Å; A456-W472 HydrophobicContact CB-CZ2 3.9Å; A456-I491 HydrophobicContact CB-CD1 4.05Å; A456-I491 HydrophobicContact CB-CG1 3.98Å; A456-L722 HydrophobicContact CB-CB 3.96Å; A456-L722 HydrophobicContact CB-CD1 3.94Å; A456-L722 HydrophobicContact CB-CG 4.47Å
457V97Very high92.2Very high0 Ų021 Ų210%013%0.132CC..EExtended strand (participates in β ladder)trans-118130.3179.7-174.10000110.7C429 V436 L470 W472 M721C429-V457 WeakPolarHBondContact O-CA 3.38Å; V436-V457 HydrophobicContact CG1-CG2 4.41Å; V436-V457 HydrophobicContact CG2-CG1 3.92Å; V436-V457 HydrophobicContact CG2-CG2 3.83Å; V457-L470 HydrophobicContact CG2-CD1 4.06Å; V457-W472 WeakPolarHBondContact O-CB 3.24Å; V457-W472 VanDerWaalsContact O-CG 3.23Å; V457-M721 HydrophobicContact CG2-CE 4.17Å
458L94.7Very high92.2Very high1 Ų124.1 Ų24.11%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-103.8108.4164.3-172.190.3000108.8L391 L428 C429 C430 G431 L460 F476 V487L391-L458 HydrophobicContact CD2-CD2 3.28Å; L391-L458 HydrophobicContact CG-CD2 4.47Å; L428-L458 HydrophobicContact CD1-CB 4.08Å; C429-L458 PolarHBondContact O-N 3.38Å; C430-L458 HydrophobicContact CB-CB 4.18Å; C430-L458 HydrophobicContact CB-CD2 4.12Å; G431-L458 PolarHBondContact N-O 3.12Å; G431-L458 VanDerWaalsContact N-O 3.13Å; L458-L460 HydrophobicContact CD2-CD1 4.33Å; L458-L460 HydrophobicContact CD2-CD2 3.91Å; L458-L460 HydrophobicContact CD2-CG 4.07Å; L458-L460 PolarHBondContact O-N 3.49Å; L458-F476 HydrophobicContact CD1-CD2 3.75Å; L458-F476 HydrophobicContact CD1-CE2 4.03Å; L458-F476 HydrophobicContact CD1-CG 4.13Å; L458-F476 HydrophobicContact CD2-CD1 4.3Å; L458-F476 HydrophobicContact CD2-CG 4.37Å; L458-F476 HydrophobicContact CG-CB 4.4Å; L458-F476 HydrophobicContact CG-CD2 4.39Å; L458-F476 HydrophobicContact CG-CG 4.27Å; L458-V487 HydrophobicContact CD1-CB 4.22Å; L458-V487 HydrophobicContact CD1-CG1 3.81Å; L458-V487 HydrophobicContact CD1-CG2 3.9Å
459P93Very high92.4Very high4 Ų422.2 Ų22.23%0.02613%0.13CC..EExtended strand (participates in β ladder)trans-75.189.1-169.727.1-34.2000113N464 S467 G475 F476P459-N464 WeakPolarHBondContact CA-OD1 3.34Å; P459-N464 HydrophobicContact CB-CB 3.85Å; P459-N464 VanDerWaalsContact CB-CG 3.43Å; P459-N464 WeakPolarHBondContact CB-OD1 3.32Å; P459-S467 WeakPolarHBondContact CB-OG 3.44Å; P459-S467 WeakPolarHBondContact CG-OG 3.48Å; P459-G475 CarbonylContact O-C 3.58Å; P459-G475 WeakPolarHBondContact O-CA 3.41Å; P459-F476 PolarHBondContact O-N 2.91Å
460L88.6Confident93Very high1 Ų117.2 Ų17.21%0.00510%0.095CC..  trans-93.7-17.9173.9-60.7-178000112.5L379 G384 L391 C430 G431 L458 F476L379-L460 HydrophobicContact CD1-CD1 4.23Å; G384-L460 WeakPolarHBondContact CA-O 3.39Å; G384-L460 PolarHBondContact N-O 3.28Å; L391-L460 HydrophobicContact CD2-CD1 3.83Å; L391-L460 HydrophobicContact CD2-CD2 4.1Å; L391-L460 HydrophobicContact CD2-CG 4.48Å; C430-L460 HydrophobicContact CB-CD1 3.83Å; G431-L460 PolarHBondContact O-N 2.89Å; L458-L460 HydrophobicContact CD2-CD1 4.33Å; L458-L460 HydrophobicContact CD2-CD2 3.91Å; L458-L460 HydrophobicContact CD2-CG 4.07Å; L458-L460 PolarHBondContact O-N 3.49Å; L460-F476 HydrophobicContact CD2-CB 3.94Å; L460-F476 HydrophobicContact CD2-CD1 3.92Å; L460-F476 HydrophobicContact CD2-CG 4.33Å
461G83.3Confident93.4Very high9 Ų914.9 Ų14.99%0.0938%0.083CC..SBendtrans-77-176.8-176.900000115G431 N464 R553G431-G461 PolarHBondContact O-N 3.4Å; G431-G461 VanDerWaalsContact O-N 3.12Å; G461-N464 PolarHBondContact N-OD1 3.39Å; G461-N464 PolarHBondContact O-ND2 2.89Å; G461-R553 WeakPolarHBondContact O-CD 3.36Å
462T82.8Confident93.7Very high40 Ų4014.9 Ų14.925%0.2458%0.082CC..SBendtrans-88.8-51.7169.5-55.30000110.6R553 N556T462-R553 HydrophobicContact CG2-CG 4.37Å; T462-N556 HydrophobicContact CG2-CB 3.62Å; T462-N556 PolarHBondContact OG1-ND2 3.47Å; T462-N556 VanDerWaalsContact OG1-ND2 3.08Å
463G83.8Confident93.6Very high34 Ų3414.5 Ų14.535%0.3519%0.089SC..  trans-77.6115.1164.900000109.3G432 D433G432-G463 VanDerWaalsContact CA-O 3.31Å; G432-G463 WeakPolarHBondContact CA-O 3.44Å; D433-G463 PolarHBondContact N-O 3.14Å
464N92.4Very high93.2Very high1 Ų115.2 Ų15.21%0.00510%0.097CC..  trans-139.638.8-179.7-65.9-51.8000108.7G431 D433 P459 G461 S467 R468 G474G431-N464 PolarHBondContact O-OD1 3.13Å; D433-N464 WeakPolarHBondContact OD1-CA 3.23Å; D433-N464 WeakPolarHBondContact OD2-CA 3.35Å; D433-N464 PolarHBondContact OD2-N 3.16Å; D433-N464 VanDerWaalsContact OD2-N 3.08Å; P459-N464 WeakPolarHBondContact CA-OD1 3.34Å; P459-N464 HydrophobicContact CB-CB 3.85Å; P459-N464 VanDerWaalsContact CB-CG 3.43Å; P459-N464 WeakPolarHBondContact CB-OD1 3.32Å; G461-N464 PolarHBondContact N-OD1 3.39Å; G461-N464 PolarHBondContact O-ND2 2.89Å; N464-S467 PolarHBondContact O-N 3.23Å; N464-R468 WeakPolarHBondContact O-CG 3.37Å; N464-R468 PolarHBondContact O-N 3.01Å; N464-R468 VanDerWaalsContact O-N 3.16Å; N464-G474 PolarHBondContact ND2-O 3.03Å
465D96.2Very high92.6Very high2 Ų216.9 Ų16.91%0.01111%0.113CC..Hα-helixtrans-66.2-42-175.4-80.6-51.3000110.9D433 S467 R468 C469 Y526 I605 S607 Y609 G610 G611D433-D465 PolarHBondContact OD1-N 3.24Å; D433-D465 VanDerWaalsContact OD1-N 3.17Å; D433-D465 PolarHBondContact OD2-N 3.41Å; D465-S467 VanDerWaalsContact C-N 3.34Å; D465-S467 PolarHBondContact O-N 2.99Å; D465-R468 WeakPolarHBondContact O-CB 3.42Å; D465-R468 PolarHBondContact O-N 3.29Å; D465-R468 VanDerWaalsContact O-N 3.08Å; D465-C469 PolarHBondContact O-N 3.3Å; D465-Y526 HydrophobicContact CB-CE1 4.33Å; D465-Y526 PolarHBondContact OD2-OH 2.77Å; D465-I605 HydrophobicContact CB-CD1 4.09Å; D465-S607 WeakPolarHBondContact CB-O 3.45Å; D465-S607 WeakPolarHBondContact O-CB 3.42Å; D465-S607 PolarHBondContact OD1-OG 3.19Å; D465-Y609 PolarHBondContact OD2-N 3.29Å; D465-G610 VanDerWaalsContact OD1-CA 3.26Å; D465-G610 WeakPolarHBondContact OD1-CA 3.28Å; D465-G610 PolarHBondContact OD1-N 3.43Å; D465-G610 PolarHBondContact OD2-N 3.27Å; D465-G610 VanDerWaalsContact OD2-N 3.09Å; D465-G611 PolarHBondContact OD1-N 3.01Å
466L97.3Very high92Very high0 Ų017.8 Ų17.80%012%0.117CC..Hα-helixtrans-61-44.6175.7-17654.3000111.7D433 V436 R468 C469 L470 L499 T524 N525 I605 M721D433-L466 WeakPolarHBondContact OD1-CB 3.42Å; D433-L466 PolarHBondContact OD1-N 3.08Å; D433-L466 VanDerWaalsContact OD1-N 3.14Å; V436-L466 HydrophobicContact CB-CD2 4.26Å; V436-L466 HydrophobicContact CG1-CD2 3.68Å; L466-R468 PolarHBondContact O-N 3.34Å; L466-C469 PolarHBondContact O-N 2.81Å; L466-C469 VanDerWaalsContact O-N 3.17Å; L466-L470 HydrophobicContact CD1-CD1 4.08Å; L466-L470 HydrophobicContact CD1-CG 4.35Å; L466-L470 HydrophobicContact CG-CD1 3.97Å; L466-L470 WeakPolarHBondContact O-CG 3.43Å; L466-L470 PolarHBondContact O-N 2.95Å; L466-L499 HydrophobicContact CD1-CD1 4.28Å; L466-L499 HydrophobicContact CD1-CD2 3.82Å; L466-L499 HydrophobicContact CD2-CD2 4.19Å; L466-T524 HydrophobicContact CD2-CG2 4.14Å; L466-N525 WeakPolarHBondContact CB-OD1 3.42Å; L466-I605 HydrophobicContact CB-CD1 4.3Å; L466-I605 HydrophobicContact CD1-CD1 4.47Å; L466-I605 HydrophobicContact CD1-CG2 4.27Å; L466-M721 HydrophobicContact CD2-CE 4.08Å
467S96.6Very high90.7Very high0 Ų020.5 Ų20.50%014%0.14CC..Hα-helixtrans-59.3-31.6176.1174.70000113P459 N464 D465 N471 W472 G473P459-S467 WeakPolarHBondContact CB-OG 3.44Å; P459-S467 WeakPolarHBondContact CG-OG 3.48Å; N464-S467 PolarHBondContact O-N 3.23Å; D465-S467 VanDerWaalsContact C-N 3.34Å; D465-S467 PolarHBondContact O-N 2.99Å; S467-N471 PolarHBondContact O-N 2.92Å; S467-W472 PolarHBondContact O-N 2.96Å; S467-W472 VanDerWaalsContact OG-CB 3.31Å; S467-W472 WeakPolarHBondContact OG-CB 3.45Å; S467-G473 WeakPolarHBondContact CB-O 3.38Å; S467-G473 PolarHBondContact O-N 2.76Å; S467-G473 VanDerWaalsContact O-N 3.16Å; S467-G473 PolarHBondContact OG-O 3.4Å
468R94.7Very high89.3Confident76 Ų7621.5 Ų21.529%0.28715%0.15SC..Hα-helixtrans-70.7-44.9175.2-69.4171.8-173.5-72.66.7111.6N464 D465 L466 L470 N471 G610 G611N464-R468 WeakPolarHBondContact O-CG 3.37Å; N464-R468 PolarHBondContact O-N 3.01Å; N464-R468 VanDerWaalsContact O-N 3.16Å; D465-R468 WeakPolarHBondContact O-CB 3.42Å; D465-R468 PolarHBondContact O-N 3.29Å; D465-R468 VanDerWaalsContact O-N 3.08Å; L466-R468 PolarHBondContact O-N 3.34Å; R468-L470 PolarHBondContact O-N 3.42Å; R468-N471 PolarHBondContact O-N 3.24Å; R468-G610 PolarHBondContact NE-O 3.23Å; R468-G610 PolarHBondContact NH2-O 3.4Å; R468-G611 VanDerWaalsContact CD-CA 3.49Å
469C95.1Very high87.6Confident19 Ų1929.8 Ų29.813%0.12819%0.186CC..Hα-helixtrans-62.1-34.9176.4-70.70000112.2D465 L466 N471 S607 M651 Q723D465-C469 PolarHBondContact O-N 3.3Å; L466-C469 PolarHBondContact O-N 2.81Å; L466-C469 VanDerWaalsContact O-N 3.17Å; C469-N471 PolarHBondContact O-N 2.95Å; C469-S607 WeakPolarHBondContact SG-CB 3.37Å; C469-S607 PolarHBondContact SG-N 3.07Å; C469-S607 VanDerWaalsContact SG-N 3.45Å; C469-M651 HydrophobicContact CB-SD 4.43Å; C469-Q723 PolarHBondContact O-NE2 2.81Å
470L96.7Very high85.9Confident0 Ų032.7 Ų32.70%020%0.204CC..THydrogen-bonded Turntrans-82.38.7176-63.9173000114.1V457 L466 R468 W472 V497 M651 M721 Q723 A724V457-L470 HydrophobicContact CG2-CD1 4.06Å; L466-L470 HydrophobicContact CD1-CD1 4.08Å; L466-L470 HydrophobicContact CD1-CG 4.35Å; L466-L470 HydrophobicContact CG-CD1 3.97Å; L466-L470 WeakPolarHBondContact O-CG 3.43Å; L466-L470 PolarHBondContact O-N 2.95Å; R468-L470 PolarHBondContact O-N 3.42Å; L470-W472 VanDerWaalsContact CB-CD1 3.45Å; L470-W472 PolarHBondContact O-N 2.83Å; L470-W472 VanDerWaalsContact O-N 3.16Å; L470-V497 HydrophobicContact CD2-CG2 3.71Å; L470-M651 HydrophobicContact CD2-CE 3.9Å; L470-M721 HydrophobicContact CD1-CB 3.96Å; L470-M721 HydrophobicContact CD1-CE 3.6Å; L470-M721 HydrophobicContact CD1-CG 4.34Å; L470-M721 HydrophobicContact CD2-CB 3.62Å; L470-M721 HydrophobicContact CD2-CG 4.43Å; L470-M721 HydrophobicContact CG-CB 4.46Å; L470-Q723 HydrophobicContact CD2-CB 4.28Å; L470-Q723 WeakPolarHBondContact O-CA 3.35Å; L470-A724 PolarHBondContact O-N 3.12Å
471N95.2Very high84.8Confident60 Ų6034.6 Ų34.632%0.32122%0.224SC..THydrogen-bonded Turntrans60.714.7-179.8-56.5-43.8000115.8S467 R468 C469 G473 Q723 A724S467-N471 PolarHBondContact O-N 2.92Å; R468-N471 PolarHBondContact O-N 3.24Å; C469-N471 PolarHBondContact O-N 2.95Å; N471-G473 VanDerWaalsContact C-N 3.28Å; N471-Q723 WeakPolarHBondContact ND2-CG 3.35Å; N471-A724 HydrophobicContact CB-CB 4.03Å; N471-A724 WeakPolarHBondContact CB-O 3.11Å; N471-A724 PolarHBondContact ND2-O 3.23Å
472W94.7Very high84.6Confident31 Ų3142.4 Ų42.412%0.11726%0.255CS..SBendtrans-77.9-18172-61.4114.3000112.4A456 V457 S467 L470 V487 N490 I491 L722 A724A456-W472 HydrophobicContact CB-CZ2 3.9Å; V457-W472 WeakPolarHBondContact O-CB 3.24Å; V457-W472 VanDerWaalsContact O-CG 3.23Å; S467-W472 PolarHBondContact O-N 2.96Å; S467-W472 VanDerWaalsContact OG-CB 3.31Å; S467-W472 WeakPolarHBondContact OG-CB 3.45Å; L470-W472 VanDerWaalsContact CB-CD1 3.45Å; L470-W472 PolarHBondContact O-N 2.83Å; L470-W472 VanDerWaalsContact O-N 3.16Å; W472-V487 HydrophobicContact CE3-CG1 4.41Å; W472-V487 HydrophobicContact CZ3-CG1 4.23Å; W472-N490 HydrophobicContact CH2-CB 4.21Å; W472-N490 HydrophobicContact CZ3-CB 3.8Å; W472-I491 HydrophobicContact CH2-CB 4.33Å; W472-I491 HydrophobicContact CH2-CG1 3.54Å; W472-I491 HydrophobicContact CZ2-CG1 4.22Å; W472-I491 HydrophobicContact CZ3-CG1 4.04Å; W472-L722 HydrophobicContact CZ2-CB 4.21Å; W472-L722 PolarHBondContact NE1-O 2.76Å; W472-A724 HydrophobicContact CD2-CB 3.89Å; W472-A724 HydrophobicContact CE3-CB 3.77Å; W472-A724 HydrophobicContact CH2-CB 3.85Å; W472-A724 HydrophobicContact CZ2-CB 3.99Å; W472-A724 HydrophobicContact CZ3-CB 3.77Å
473G91.4Very high84.8Confident27 Ų2743 Ų4328%0.27826%0.257SS..  trans96.4-178.2173.700000113.2S467 N471S467-G473 WeakPolarHBondContact CB-O 3.38Å; S467-G473 PolarHBondContact O-N 2.76Å; S467-G473 VanDerWaalsContact O-N 3.16Å; S467-G473 PolarHBondContact OG-O 3.4Å; N471-G473 VanDerWaalsContact C-N 3.28Å
474G88.3Confident85.1Confident15 Ų1541.6 Ų41.616%0.15524%0.242CC..SBendtrans-910.7-174.200000116.1N464N464-G474 PolarHBondContact ND2-O 3.03Å
475G86.6Confident85.1Confident34 Ų3443.8 Ų43.835%0.35125%0.252SS..  trans174.4136.3-174.900000113.7P459P459-G475 CarbonylContact O-C 3.58Å; P459-G475 WeakPolarHBondContact O-CA 3.41Å
476F85.8Confident84.9Confident19 Ų1949 Ų498%0.08328%0.275CS..  trans-79126.7168.9-171.5-119.7000109.1L391 L458 P459 L460 G478 D483 L484 V487 R553L391-F476 HydrophobicContact CD1-CE1 4.49Å; L458-F476 HydrophobicContact CD1-CD2 3.75Å; L458-F476 HydrophobicContact CD1-CE2 4.03Å; L458-F476 HydrophobicContact CD1-CG 4.13Å; L458-F476 HydrophobicContact CD2-CD1 4.3Å; L458-F476 HydrophobicContact CD2-CG 4.37Å; L458-F476 HydrophobicContact CG-CB 4.4Å; L458-F476 HydrophobicContact CG-CD2 4.39Å; L458-F476 HydrophobicContact CG-CG 4.27Å; P459-F476 PolarHBondContact O-N 2.91Å; L460-F476 HydrophobicContact CD2-CB 3.94Å; L460-F476 HydrophobicContact CD2-CD1 3.92Å; L460-F476 HydrophobicContact CD2-CG 4.33Å; F476-G478 VanDerWaalsContact C-N 3.33Å; F476-D483 HydrophobicContact CE2-CB 3.77Å; F476-D483 HydrophobicContact CZ-CB 4.09Å; F476-L484 HydrophobicContact CZ-CB 4.1Å; F476-V487 HydrophobicContact CE2-CG2 4.31Å; F476-R553 PolarHBondContact O-NH2 2.79Å
477A70.9Confident84.8Confident57 Ų5750 Ų5047%0.47128%0.281SS..  trans-72.6-29.4178.800000111.6K479A477-K479 WeakPolarHBondContact O-CG 3.16Å; A477-K479 PolarHBondContact O-N 3.3Å
478G66.9Low84.8Confident22 Ų2250 Ų5023%0.22728%0.281CS..  trans61.22.5175.900000115.9F476 T480F476-G478 VanDerWaalsContact C-N 3.33Å; G478-T480 PolarHBondContact O-N 2.87Å
479K59.6Low84.8Confident175 Ų17550.6 Ų50.676%0.76129%0.286SS*.SBendtrans-71.4-31.2-171.7-65.6-170.3179.9-177.70112.1A477A477-K479 WeakPolarHBondContact O-CG 3.16Å; A477-K479 PolarHBondContact O-N 3.3Å
480T56.3Low84.8Confident65 Ų6551.7 Ų51.740%0.39929%0.29SS..  trans-133.8151.5-175.177.20000113.4G478 K482 D483G478-T480 PolarHBondContact O-N 2.87Å; T480-K482 PolarHBondContact O-N 2.84Å; T480-K482 PolarHBondContact OG1-N 2.86Å; T480-D483 PolarHBondContact N-OD2 3.49Å; T480-D483 VanDerWaalsContact N-OD2 3.17Å; T480-D483 PolarHBondContact O-N 2.91Å; T480-D483 VanDerWaalsContact OG1-CG 3.23Å; T480-D483 PolarHBondContact OG1-N 2.83Å; T480-D483 PolarHBondContact OG1-OD2 3.29Å
481G66.8Low84.9Confident41 Ų4151.8 Ų51.842%0.42329%0.291SS..Hα-helixtrans-63.7-14.2168.700000113.7M485G481-M485 WeakPolarHBondContact O-CG 3.38Å
482K79.5Confident84.9Confident173 Ų17352.9 Ų52.975%0.75229%0.294SS*.Hα-helixtrans-74.1-33.6177.1-64.7-178.6177.6179.10111.6T480 M485 K486T480-K482 PolarHBondContact O-N 2.84Å; T480-K482 PolarHBondContact OG1-N 2.86Å; K482-M485 PolarHBondContact O-N 3.35Å; K482-K486 PolarHBondContact O-N 2.98Å
483D86Confident84.9Confident53 Ų5358.3 Ų58.328%0.28332%0.318SS..Hα-helixtrans-64.2-45.9-179.3-58.7-45.3000111.3F476 T480 K486 V487F476-D483 HydrophobicContact CE2-CB 3.77Å; F476-D483 HydrophobicContact CZ-CB 4.09Å; T480-D483 PolarHBondContact N-OD2 3.49Å; T480-D483 VanDerWaalsContact N-OD2 3.17Å; T480-D483 PolarHBondContact O-N 2.91Å; T480-D483 VanDerWaalsContact OG1-CG 3.23Å; T480-D483 PolarHBondContact OG1-N 2.83Å; T480-D483 PolarHBondContact OG1-OD2 3.29Å; D483-K486 WeakPolarHBondContact O-CB 3.4Å; D483-K486 PolarHBondContact O-N 3.11Å; D483-V487 WeakPolarHBondContact O-CG2 3.38Å; D483-V487 PolarHBondContact O-N 2.89Å
484L91.2Very high85.2Confident4 Ų458.1 Ų58.12%0.02131%0.313CS..Hα-helixtrans-63.5-43.4176.9-176.159.8000112.1L391 K394 L395 L398 F476 K486 V487 L488L391-L484 HydrophobicContact CD1-CD1 3.83Å; L391-L484 HydrophobicContact CD1-CD2 3.55Å; L391-L484 HydrophobicContact CD1-CG 4.25Å; K394-L484 HydrophobicContact CB-CD2 4.33Å; K394-L484 HydrophobicContact CG-CD2 3.73Å; L395-L484 HydrophobicContact CD2-CD1 4.24Å; L395-L484 HydrophobicContact CD2-CD2 4.17Å; L395-L484 HydrophobicContact CG-CD2 4.28Å; L398-L484 HydrophobicContact CD1-CD2 3.68Å; L398-L484 HydrophobicContact CD1-CG 4.18Å; F476-L484 HydrophobicContact CZ-CB 4.1Å; L484-K486 PolarHBondContact O-N 3.01Å; L484-V487 PolarHBondContact O-N 3.32Å; L484-V487 VanDerWaalsContact O-N 3.14Å; L484-L488 HydrophobicContact CG-CD1 4.41Å; L484-L488 WeakPolarHBondContact O-CG 3.31Å; L484-L488 PolarHBondContact O-N 2.84Å
485M92.2Very high85.6Confident47 Ų4761.3 Ų61.323%0.23233%0.329CS..Hα-helixtrans-60.4-35.4176.3-72.1-63.1-57.400112.1L318 L398 G481 K482 K489L318-M485 HydrophobicContact CD1-CE 3.94Å; L318-M485 HydrophobicContact CD1-SD 3.86Å; L318-M485 HydrophobicContact CD2-CE 3.88Å; L318-M485 HydrophobicContact CG-CE 3.85Å; L318-M485 HydrophobicContact CG-SD 4.42Å; L398-M485 HydrophobicContact CD1-SD 3.94Å; L398-M485 HydrophobicContact CD2-SD 3.84Å; G481-M485 WeakPolarHBondContact O-CG 3.38Å; K482-M485 PolarHBondContact O-N 3.35Å; M485-K489 WeakPolarHBondContact O-CG 3.01Å; M485-K489 PolarHBondContact O-N 3.39Å; M485-K489 VanDerWaalsContact O-N 3.11Å
486K92.2Very high86.2Confident111 Ų11164 Ų6448%0.48333%0.334SS..Hα-helixtrans-66.8-43175.1-176.4174.6-178.61670111.2K482 D483 L484 K489 N490K482-K486 PolarHBondContact O-N 2.98Å; D483-K486 WeakPolarHBondContact O-CB 3.4Å; D483-K486 PolarHBondContact O-N 3.11Å; L484-K486 PolarHBondContact O-N 3.01Å; K486-K489 PolarHBondContact O-N 3.16Å; K486-N490 WeakPolarHBondContact O-CB 3.4Å; K486-N490 VanDerWaalsContact O-CG 3.26Å; K486-N490 PolarHBondContact O-N 3.49Å; K486-N490 PolarHBondContact O-OD1 3.01Å
487V94.1Very high86.7Confident22 Ų2264.5 Ų64.513%0.13334%0.339CS..Hα-helixtrans-59.7-50.9175.8174.40000110.7L458 W472 F476 D483 L484 K489 N490 I491L458-V487 HydrophobicContact CD1-CB 4.22Å; L458-V487 HydrophobicContact CD1-CG1 3.81Å; L458-V487 HydrophobicContact CD1-CG2 3.9Å; W472-V487 HydrophobicContact CE3-CG1 4.41Å; W472-V487 HydrophobicContact CZ3-CG1 4.23Å; F476-V487 HydrophobicContact CE2-CG2 4.31Å; D483-V487 WeakPolarHBondContact O-CG2 3.38Å; D483-V487 PolarHBondContact O-N 2.89Å; L484-V487 PolarHBondContact O-N 3.32Å; L484-V487 VanDerWaalsContact O-N 3.14Å; V487-K489 VanDerWaalsContact C-N 3.32Å; V487-K489 PolarHBondContact O-N 2.79Å; V487-N490 WeakPolarHBondContact O-CA 3.27Å; V487-N490 WeakPolarHBondContact O-CB 3.38Å; V487-N490 PolarHBondContact O-N 2.97Å; V487-I491 HydrophobicContact CG1-CD1 4.2Å; V487-I491 WeakPolarHBondContact O-CG1 3.43Å; V487-I491 PolarHBondContact O-N 3.41Å
488L96Very high88Confident0 Ų064.6 Ų64.60%033%0.334CS..Hα-helixtrans-58.1-43.6179.6-63.7174.6000111.9L318 H321 L375 L398 L428 L484 N490 I491 E492L318-L488 HydrophobicContact CD1-CD1 3.79Å; L318-L488 HydrophobicContact CD2-CB 3.8Å; L318-L488 HydrophobicContact CD2-CD1 4.06Å; H321-L488 PolarHBondContact CE1-O 2.9Å; H321-L488 VanDerWaalsContact CE1-O 3.3Å; H321-L488 PolarHBondContact NE2-O 3.16Å; L375-L488 HydrophobicContact CD2-CD2 3.5Å; L375-L488 VanDerWaalsContact CD2-CD2 3.5Å; L398-L488 HydrophobicContact CD1-CD1 3.95Å; L428-L488 HydrophobicContact CD2-CD2 4.41Å; L484-L488 HydrophobicContact CG-CD1 4.41Å; L484-L488 WeakPolarHBondContact O-CG 3.31Å; L484-L488 PolarHBondContact O-N 2.84Å; L488-N490 VanDerWaalsContact C-N 3.3Å; L488-N490 PolarHBondContact O-N 3.35Å; L488-I491 HydrophobicContact CD2-CD1 4.4Å; L488-I491 WeakPolarHBondContact O-CB 3.45Å; L488-I491 PolarHBondContact O-N 3.33Å; L488-E492 PolarHBondContact O-N 3.07Å
489K95.3Very high89.5Confident88 Ų8863.5 Ų63.538%0.38332%0.323SS..Hα-helixtrans-65.4-31.3174.6-74-177.4173.5-164.20113.8M485 K486 V487 K493M485-K489 WeakPolarHBondContact O-CG 3.01Å; M485-K489 PolarHBondContact O-N 3.39Å; M485-K489 VanDerWaalsContact O-N 3.11Å; K486-K489 PolarHBondContact O-N 3.16Å; V487-K489 VanDerWaalsContact C-N 3.32Å; V487-K489 PolarHBondContact O-N 2.79Å; K489-K493 PolarHBondContact O-N 2.97Å
490N95.6Very high91.3Very high42 Ų4255.2 Ų55.223%0.22529%0.287CS..Hα-helixtrans-73-30.9176.1-77.42.8000111.6W472 K486 V487 L488 K493 S494W472-N490 HydrophobicContact CH2-CB 4.21Å; W472-N490 HydrophobicContact CZ3-CB 3.8Å; K486-N490 WeakPolarHBondContact O-CB 3.4Å; K486-N490 VanDerWaalsContact O-CG 3.26Å; K486-N490 PolarHBondContact O-N 3.49Å; K486-N490 PolarHBondContact O-OD1 3.01Å; V487-N490 WeakPolarHBondContact O-CA 3.27Å; V487-N490 WeakPolarHBondContact O-CB 3.38Å; V487-N490 PolarHBondContact O-N 2.97Å; L488-N490 VanDerWaalsContact C-N 3.3Å; L488-N490 PolarHBondContact O-N 3.35Å; N490-K493 CarbonylContact O-C 3.57Å; N490-K493 PolarHBondContact O-N 2.87Å; N490-S494 WeakPolarHBondContact O-CB 3.5Å; N490-S494 PolarHBondContact O-N 2.79Å
491I97.6Very high93.3Very high1 Ų152.1 Ų52.11%0.00527%0.268CS..Hα-helixtrans-62.3-44.5173.2-66.2170.7000110.2L375 L428 A456 W472 V487 L488 K493 S494 L722L375-I491 HydrophobicContact CD1-CD1 4.37Å; L375-I491 HydrophobicContact CD1-CG2 4.13Å; L375-I491 HydrophobicContact CD2-CD1 4.07Å; L428-I491 HydrophobicContact CD1-CD1 3.86Å; L428-I491 HydrophobicContact CD2-CD1 4.13Å; L428-I491 HydrophobicContact CG-CD1 4.41Å; A456-I491 HydrophobicContact CB-CD1 4.05Å; A456-I491 HydrophobicContact CB-CG1 3.98Å; W472-I491 HydrophobicContact CH2-CB 4.33Å; W472-I491 HydrophobicContact CH2-CG1 3.54Å; W472-I491 HydrophobicContact CZ2-CG1 4.22Å; W472-I491 HydrophobicContact CZ3-CG1 4.04Å; V487-I491 HydrophobicContact CG1-CD1 4.2Å; V487-I491 WeakPolarHBondContact O-CG1 3.43Å; V487-I491 PolarHBondContact O-N 3.41Å; L488-I491 HydrophobicContact CD2-CD1 4.4Å; L488-I491 WeakPolarHBondContact O-CB 3.45Å; L488-I491 PolarHBondContact O-N 3.33Å; I491-K493 PolarHBondContact O-N 3.19Å; I491-S494 WeakPolarHBondContact O-CB 3.49Å; I491-S494 PolarHBondContact O-N 3.23Å; I491-S494 VanDerWaalsContact O-N 3.14Å; I491-S494 PolarHBondContact O-OG 3.46Å; I491-L722 HydrophobicContact CG2-CD1 3.85Å
492E95.8Very high94.9Very high83 Ų8350.1 Ų50.139%0.38825%0.248SC..Hα-helixtrans-58-32.8175.4178.8-176.716800113Y320 L488Y320-E492 HydrophobicContact CD1-CB 3.78Å; Y320-E492 HydrophobicContact CD1-CG 3.71Å; Y320-E492 HydrophobicContact CD2-CG 4.22Å; Y320-E492 HydrophobicContact CE1-CB 4.04Å; Y320-E492 HydrophobicContact CE1-CG 4.07Å; Y320-E492 HydrophobicContact CG-CB 4.34Å; Y320-E492 HydrophobicContact CG-CG 3.78Å; L488-E492 PolarHBondContact O-N 3.07Å
493K95.7Very high95.8Very high146 Ų14643.9 Ų43.964%0.63522%0.222SC*.THydrogen-bonded Turntrans-99.26.1-178.8-60.2-179-179.3-1680113.8K489 N490 I491K489-K493 PolarHBondContact O-N 2.97Å; N490-K493 CarbonylContact O-C 3.57Å; N490-K493 PolarHBondContact O-N 2.87Å; I491-K493 PolarHBondContact O-N 3.19Å
494S97.2Very high96.3Very high23 Ų2341.7 Ų41.716%0.16121%0.21CC..PPolyproline II helixtrans-77.7158.4-175.264.20000111.1N490 I491 L722 Q723N490-S494 WeakPolarHBondContact O-CB 3.5Å; N490-S494 PolarHBondContact O-N 2.79Å; I491-S494 WeakPolarHBondContact O-CB 3.49Å; I491-S494 PolarHBondContact O-N 3.23Å; I491-S494 VanDerWaalsContact O-N 3.14Å; I491-S494 PolarHBondContact O-OG 3.46Å; S494-L722 WeakPolarHBondContact OG-CD2 3.45Å; S494-Q723 WeakPolarHBondContact CA-O 3.49Å; S494-Q723 VanDerWaalsContact CB-O 3.25Å; S494-Q723 WeakPolarHBondContact CB-O 3.19Å
495T97.3Very high96.5Very high82 Ų8245 Ų4550%0.50323%0.228SC..EExtended strand (participates in β ladder)trans-103.3145.9174.652.90000109.7Q723T495-Q723 PolarHBondContact N-O 2.83Å; T495-Q723 VanDerWaalsContact N-O 3.08Å; T495-Q723 PolarHBondContact O-N 3.15Å
496I97.5Very high96.6Very high89 Ų8944.9 Ų44.946%0.45623%0.228SC..EExtended strand (participates in β ladder)trans-80130.7172.8-61168.9000108.3P454 Q720 M721 L722P454-I496 HydrophobicContact CB-CG1 4.26Å; P454-I496 HydrophobicContact CG-CD1 3.71Å; P454-I496 HydrophobicContact CG-CG1 3.91Å; P454-I496 HydrophobicContact CG-CG2 4.48Å; I496-Q720 HydrophobicContact CG2-CB 3.87Å; I496-Q720 HydrophobicContact CG2-CG 3.96Å; I496-M721 WeakPolarHBondContact CA-O 3.36Å; I496-L722 HydrophobicContact CG1-CD2 3.76Å
497V97.3Very high96.6Very high30 Ų3044.2 Ų44.218%0.18223%0.233CC..EExtended strand (participates in β ladder)trans-127.1151.4173-61.90000109.1L470 M651 M721 Q723L470-V497 HydrophobicContact CD2-CG2 3.71Å; V497-M651 HydrophobicContact CB-CE 4.08Å; V497-M651 HydrophobicContact CG2-CE 3.48Å; V497-M651 VanDerWaalsContact CG2-CE 3.48Å; V497-M721 HydrophobicContact CG2-CB 4.03Å; V497-M721 PolarHBondContact N-O 2.89Å; V497-M721 PolarHBondContact O-N 2.81Å; V497-Q723 HydrophobicContact CG1-CB 3.93Å; V497-Q723 HydrophobicContact CG2-CB 3.97Å
498T97.8Very high96.2Very high59 Ų5946.7 Ų46.736%0.36224%0.244SC..EExtended strand (participates in β ladder)trans-85.7144.9174.4450000110.3V719T498-V719 WeakPolarHBondContact CA-O 3.33Å
499L98.2Very high95.3Very high0 Ų051.4 Ų51.40%027%0.265CS..EExtended strand (participates in β ladder)trans-126.7117.9172.3176.166.4000108.3L466 T524 N604 I605 M651 Q718 V719 M721L466-L499 HydrophobicContact CD1-CD1 4.28Å; L466-L499 HydrophobicContact CD1-CD2 3.82Å; L466-L499 HydrophobicContact CD2-CD2 4.19Å; L499-T524 HydrophobicContact CD2-CG2 3.59Å; L499-T524 HydrophobicContact CG-CG2 4.43Å; L499-N604 WeakPolarHBondContact CD1-ND2 3.49Å; L499-I605 HydrophobicContact CD1-CG2 3.81Å; L499-M651 CarbonylContact C-O 3.55Å; L499-M651 VanDerWaalsContact CA-O 3.31Å; L499-M651 WeakPolarHBondContact CA-O 3.49Å; L499-M651 HydrophobicContact CD1-CB 3.97Å; L499-M651 HydrophobicContact CD1-CG 4.09Å; L499-M651 HydrophobicContact CD1-SD 4.24Å; L499-Q718 CarbonylContact O-C 3.51Å; L499-Q718 VanDerWaalsContact O-CA 3.29Å; L499-Q718 WeakPolarHBondContact O-CA 3.29Å; L499-V719 HydrophobicContact CB-CG2 3.88Å; L499-V719 HydrophobicContact CD2-CG2 4.06Å; L499-V719 HydrophobicContact CG-CG2 4.27Å; L499-V719 PolarHBondContact N-O 3.47Å; L499-V719 PolarHBondContact O-N 3.05Å; L499-M721 HydrophobicContact CB-CG 3.65Å; L499-M721 HydrophobicContact CD2-CG 3.8Å; L499-M721 HydrophobicContact CD2-SD 4.1Å; L499-M721 HydrophobicContact CG-CG 4.39Å
500D98.5Very high94.2Very high0 Ų052.6 Ų52.60%028%0.276CS..EExtended strand (participates in β ladder)trans-66.8146.1170.5-66.5-42.4000109.9N604 M651 G652 D653 K654 H715 Q718D500-N604 WeakPolarHBondContact CB-OD1 3.5Å; D500-N604 PolarHBondContact O-ND2 2.67Å; D500-M651 PolarHBondContact N-O 3.29Å; D500-G652 WeakPolarHBondContact OD2-CA 3.4Å; D500-G652 PolarHBondContact OD2-N 3.38Å; D500-D653 PolarHBondContact OD2-N 3.13Å; D500-K654 VanDerWaalsContact OD2-CA 3.29Å; D500-K654 WeakPolarHBondContact OD2-CA 3.33Å; D500-K654 PolarHBondContact OD2-N 2.94Å; D500-H715 IonicContact OD1-CD2 2.61Å; D500-H715 IonicContact OD1-NE2 2.62Å; D500-H715 PolarHBondContact OD1-NE2 3.08Å; D500-Q718 VanDerWaalsContact OD1-CD 3.23Å; D500-Q718 WeakPolarHBondContact OD1-CG 3.43Å; D500-Q718 PolarHBondContact OD1-NE2 2.75Å
501R98.3Very high92.7Very high0 Ų058.5 Ų58.50%031%0.308CS..EExtended strand (participates in β ladder)trans-126.6139166.7-70.7-169.2-62.6179.3-10.7108.7L440 D441 D444 I522 V523 T524 K716 N717L440-R501 PolarHBondContact O-NH1 3.26Å; D441-R501 IonicContact OD1-NH1 3.74Å; D441-R501 PolarHBondContact OD1-NH1 3.46Å; D444-R501 IonicContact OD1-CZ 2.73Å; D444-R501 IonicContact OD1-NH1 3.6Å; D444-R501 IonicContact OD1-NH2 2.75Å; D444-R501 PolarHBondContact OD1-NH2 3.33Å; D444-R501 IonicContact OD2-CZ 3.28Å; D444-R501 IonicContact OD2-NH1 3.57Å; D444-R501 PolarHBondContact OD2-NH1 2.73Å; D444-R501 IonicContact OD2-NH2 3.45Å; D444-R501 PolarHBondContact OD2-NH2 3.05Å; R501-I522 HydrophobicContact CB-CG2 4Å; R501-I522 HydrophobicContact CG-CG2 4.46Å; R501-V523 WeakPolarHBondContact CA-O 3.24Å; R501-T524 HydrophobicContact CG-CG2 4.41Å; R501-K716 WeakPolarHBondContact O-CA 3.39Å; R501-K716 VanDerWaalsContact O-CB 3.29Å; R501-K716 WeakPolarHBondContact O-CB 3.35Å; R501-K716 PolarHBondContact O-N 3.31Å; R501-N717 VanDerWaalsContact CZ-OD1 3.28Å; R501-N717 PolarHBondContact N-O 3.48Å; R501-N717 PolarHBondContact NE-OD1 3.17Å; R501-N717 VanDerWaalsContact NH2-CG 3.3Å; R501-N717 PolarHBondContact NH2-ND2 3.17Å; R501-N717 PolarHBondContact NH2-OD1 3.36Å; R501-N717 PolarHBondContact O-N 3.39Å
502W98.6Very high91.1Very high0 Ų063.6 Ų63.60%034%0.343CS..EExtended strand (participates in β ladder)trans-112.9138.2-173.3-56.878.7000110.7I522 V523 N604 K654 K655 I656 S685 I713 T714 H715W502-I522 CarbonylContact O-C 3.58Å; W502-I522 WeakPolarHBondContact O-CA 3.47Å; W502-V523 HydrophobicContact CB-CB 4.13Å; W502-V523 PolarHBondContact N-O 2.79Å; W502-V523 PolarHBondContact O-N 2.95Å; W502-N604 PolarHBondContact NE1-OD1 3.01Å; W502-K654 WeakPolarHBondContact CH2-O 3.38Å; W502-K655 WeakPolarHBondContact CZ2-O 3.31Å; W502-I656 HydrophobicContact CD2-CB 4.28Å; W502-I656 HydrophobicContact CD2-CD1 3.97Å; W502-I656 HydrophobicContact CE3-CB 4.48Å; W502-I656 HydrophobicContact CG-CD1 3.98Å; W502-I656 HydrophobicContact CH2-CB 3.94Å; W502-I656 HydrophobicContact CH2-CG2 4.18Å; W502-I656 HydrophobicContact CZ2-CB 3.73Å; W502-I656 HydrophobicContact CZ2-CG2 4.47Å; W502-I656 HydrophobicContact CZ3-CB 4.3Å; W502-I656 HydrophobicContact CZ3-CG2 4.2Å; W502-S685 WeakPolarHBondContact CZ3-O 3.5Å; W502-I713 HydrophobicContact CB-CG2 4.02Å; W502-I713 HydrophobicContact CD2-CG2 4.49Å; W502-I713 HydrophobicContact CE3-CG2 4.02Å; W502-T714 CarbonylContact C-O 3.52Å; W502-T714 WeakPolarHBondContact CA-O 3.16Å; W502-H715 HydrophobicContact CE3-CB 4.24Å; W502-H715 HydrophobicContact CH2-CB 4.42Å; W502-H715 HydrophobicContact CZ3-CB 4.06Å
503L98.2Very high89.6Confident42 Ų4265.2 Ų65.222%0.2235%0.351CS..EExtended strand (participates in β ladder)trans-93.3129.8173.7177.366.3000109.5N521 I522 I713 T714 K716L503-N521 HydrophobicContact CD1-CB 4.32Å; L503-I522 HydrophobicContact CB-CD1 4.47Å; L503-I522 HydrophobicContact CD1-CD1 3.6Å; L503-I713 WeakPolarHBondContact O-CA 3.44Å; L503-T714 PolarHBondContact N-O 2.92Å; L503-T714 PolarHBondContact O-N 3.09Å; L503-K716 HydrophobicContact CB-CB 4.12Å
504I97.3Very high88.2Confident6 Ų668.5 Ų68.53%0.03137%0.365CS..EExtended strand (participates in β ladder)trans-102.5120170.3-66.9-175.7000108N521 V523 F527 V699 I711 S712 I713I504-N521 PolarHBondContact N-O 2.98Å; I504-N521 WeakPolarHBondContact O-CB 3.31Å; I504-V523 HydrophobicContact CD1-CG2 3.28Å; I504-V523 HydrophobicContact CG1-CG2 3.67Å; I504-F527 HydrophobicContact CD1-CB 3.84Å; I504-F527 HydrophobicContact CD1-CD1 4.29Å; I504-F527 HydrophobicContact CD1-CD2 3.46Å; I504-F527 VanDerWaalsContact CD1-CD2 3.46Å; I504-F527 HydrophobicContact CD1-CE2 4.06Å; I504-F527 HydrophobicContact CD1-CG 3.58Å; I504-V699 HydrophobicContact CD1-CG2 3.73Å; I504-I711 HydrophobicContact CG2-CG2 3.61Å; I504-S712 WeakPolarHBondContact CA-O 3.24Å; I504-I713 HydrophobicContact CG1-CG1 4.28Å
505N96.1Very high86.7Confident73 Ų7368.3 Ų68.339%0.3937%0.367SS..EExtended strand (participates in β ladder)trans-107.8132.9165.5-55-48.5000108.8I711 S712N505-I711 CarbonylContact O-C 3.53Å; N505-I711 WeakPolarHBondContact O-CA 3.18Å; N505-S712 WeakPolarHBondContact CB-OG 3.39Å; N505-S712 PolarHBondContact N-O 3.2Å; N505-S712 PolarHBondContact O-N 3.11Å
506L93.3Very high85.8Confident45 Ų4567.6 Ų67.624%0.23636%0.36CS..EExtended strand (participates in β ladder)trans-117.5131.1-176.7-169.4146.2000109.9E508 V518 Q706 C709 I711L506-E508 HydrophobicContact CD2-CG 3.55Å; L506-V518 HydrophobicContact CD1-CG2 4.12Å; L506-Q706 VanDerWaalsContact CD1-CD 3.41Å; L506-Q706 HydrophobicContact CD1-CG 3.81Å; L506-C709 HydrophobicContact CD2-CB 3.96Å; L506-C709 HydrophobicContact CG-CB 4.09Å; L506-I711 HydrophobicContact CD1-CD1 4.23Å; L506-I711 HydrophobicContact CD1-CG1 4.03Å; L506-I711 HydrophobicContact CG-CG1 4.18Å
507V92Very high85.1Confident98 Ų9867.7 Ų67.759%0.59437%0.374SS*.EExtended strand (participates in β ladder)trans-124.7113.1174.9-177.20000108.2C709 T710V507-C709 CarbonylContact O-C 3.57Å; V507-C709 WeakPolarHBondContact O-CA 3.34Å; V507-C709 WeakPolarHBondContact O-CB 3.47Å; V507-T710 PolarHBondContact N-O 3.1Å; V507-T710 PolarHBondContact O-N 3.49Å
508E85.7Confident84.4Confident74 Ų7469 Ų6935%0.34638%0.382SS..EExtended strand (participates in β ladder)trans-72.6146.5177.1-61.4-170.515000110.9L506 Q706L506-E508 HydrophobicContact CD2-CG 3.55Å; E508-Q706 PolarHBondContact OE1-NE2 3.04Å
509Q78.4Confident83.8Confident98 Ų9869.3 Ų69.346%0.45839%0.385SS..SBendtrans-87.9-28.9-178-68.3179.112.600113P708Q509-P708 PolarHBondContact N-O 2.93Å; Q509-P708 VanDerWaalsContact N-O 3.16Å
510D71Confident83.3Confident114 Ų11471.2 Ų71.261%0.6140%0.395SS*.  trans-134.3138.6-176.5-76-41.5000112.1
511N65.2Low83.1Confident165 Ų16574.8 Ų74.888%0.88241%0.414SS*.SBendtrans-917.5-178.7-78.2-13.9000114.6
512S64.3Low83Confident108 Ų10875.2 Ų75.276%0.75542%0.417SS*.SBendtrans-83.5-31.9-167.754.10000114.7
513E64Low83Confident117 Ų11775.2 Ų75.255%0.54742%0.417SS..SBendtrans-121122.2178.6-69.6-172176.300111G515 Q707E513-G515 PolarHBondContact O-N 3.46Å; E513-G515 VanDerWaalsContact O-N 3.1Å; E513-Q707 PolarHBondContact OE2-NE2 3.42Å
514K66.3Low83Confident215 Ų21573.2 Ų73.294%0.93541%0.406SS*.  trans-68.2109.6171.7-70.7-174.3178.9-178.70109.1
515G65.1Low83Confident20 Ų2073 Ų7321%0.20641%0.405CS..  trans-66.6175.8165.900000112.1E513E513-G515 PolarHBondContact O-N 3.46Å; E513-G515 VanDerWaalsContact O-N 3.1Å
516D79.1Confident83.1Confident67 Ų6770 Ų7036%0.35839%0.389SS..PPolyproline II helixtrans-66.7146.5170.7-60.7-22.4000109.4V518 W704 L705D516-V518 PolarHBondContact O-N 2.89Å; D516-W704 HydrophobicContact CB-CB 3.94Å; D516-L705 WeakPolarHBondContact OD2-CB 3.35Å; D516-L705 PolarHBondContact OD2-N 2.74Å
517A81.7Confident83.3Confident91 Ų9167.9 Ų67.975%0.75238%0.377SS*.PPolyproline II helixtrans-65133.317500000110.6P519A517-P519 WeakPolarHBondContact O-CD 3.44Å
518V84Confident83.6Confident56 Ų5663.2 Ų63.234%0.33935%0.349SS..PPolyproline II helixtrans-64.6120.1175.8-178.10000108.9L506 D516 N520 W704L506-V518 HydrophobicContact CD1-CG2 4.12Å; D516-V518 PolarHBondContact O-N 2.89Å; V518-N520 WeakPolarHBondContact CG1-O 3.36Å; V518-N520 PolarHBondContact O-N 3.25Å; V518-W704 HydrophobicContact CG1-CH2 4.29Å; V518-W704 HydrophobicContact CG1-CZ2 4.1Å; V518-W704 HydrophobicContact CG2-CZ2 4.4Å
519P84.8Confident84.2Confident66 Ų6659.8 Ų59.843%0.42933%0.333SS..SBendtrans-73.3-31.9-169.926.9-34.3000113.2A517 E702 W704A517-P519 WeakPolarHBondContact O-CD 3.44Å; P519-E702 HydrophobicContact CB-CB 4.25Å; P519-E702 HydrophobicContact CG-CB 3.97Å; P519-W704 HydrophobicContact CG-CE3 3.85Å; P519-W704 HydrophobicContact CG-CZ3 4.3Å
520N87Confident85.1Confident40 Ų4055.1 Ų55.121%0.21431%0.311CS..  trans-156.2148.1175.7-163.3-12.8000109.6V518 I522V518-N520 WeakPolarHBondContact CG1-O 3.36Å; V518-N520 PolarHBondContact O-N 3.25Å; N520-I522 PolarHBondContact OD1-N 3.43Å
521N94.1Very high86.3Confident75 Ų7549.7 Ų49.740%0.40128%0.282SS..SBendtrans-104.50.7175.566.5-10.7000113.4L503 I504L503-N521 HydrophobicContact CD1-CB 4.32Å; I504-N521 PolarHBondContact N-O 2.98Å; I504-N521 WeakPolarHBondContact O-CB 3.31Å
522I97.5Very high87.7Confident9 Ų942 Ų425%0.04624%0.241CC..EExtended strand (participates in β ladder)trans-106.5124.7178.5-51.6-44.5000111.2R501 W502 L503 N520 V699 K716R501-I522 HydrophobicContact CB-CG2 4Å; R501-I522 HydrophobicContact CG-CG2 4.46Å; W502-I522 CarbonylContact O-C 3.58Å; W502-I522 WeakPolarHBondContact O-CA 3.47Å; L503-I522 HydrophobicContact CB-CD1 4.47Å; L503-I522 HydrophobicContact CD1-CD1 3.6Å; N520-I522 PolarHBondContact OD1-N 3.43Å; I522-V699 VanDerWaalsContact O-CG1 3.23Å; I522-V699 WeakPolarHBondContact O-CG1 3.38Å; I522-K716 HydrophobicContact CD1-CD 3.37Å; I522-K716 HydrophobicContact CG1-CD 4.03Å; I522-K716 HydrophobicContact CG2-CD 4.18Å
523V97.9Very high89.3Confident0 Ų036.9 Ų36.90%021%0.205CC..EExtended strand (participates in β ladder)trans-99.1115.7174.3-171.30000109.7R501 W502 I504 F527 V699R501-V523 WeakPolarHBondContact CA-O 3.24Å; W502-V523 HydrophobicContact CB-CB 4.13Å; W502-V523 PolarHBondContact N-O 2.79Å; W502-V523 PolarHBondContact O-N 2.95Å; I504-V523 HydrophobicContact CD1-CG2 3.28Å; I504-V523 HydrophobicContact CG1-CG2 3.67Å; V523-F527 HydrophobicContact CG1-CB 4.25Å; V523-F527 HydrophobicContact CG2-CB 3.81Å; V523-V699 HydrophobicContact CB-CG1 4.47Å; V523-V699 HydrophobicContact CG2-CG1 4.07Å; V523-V699 HydrophobicContact CG2-CG2 4.32Å
524T97.9Very high90.8Very high1 Ų132.2 Ų32.21%0.00619%0.185CC..SBendtrans-101.5-31.3173.6-56.90000111.5N437 L440 L466 L499 R501 N604 D700N437-T524 WeakPolarHBondContact OD1-CB 3.48Å; N437-T524 WeakPolarHBondContact OD1-CG2 3.44Å; N437-T524 PolarHBondContact OD1-OG1 3.21Å; L440-T524 HydrophobicContact CD1-CG2 4.09Å; L466-T524 HydrophobicContact CD2-CG2 4.14Å; L499-T524 HydrophobicContact CD2-CG2 3.59Å; L499-T524 HydrophobicContact CG-CG2 4.43Å; R501-T524 HydrophobicContact CG-CG2 4.41Å; T524-N604 PolarHBondContact O-ND2 2.89Å; T524-D700 WeakPolarHBondContact CA-OD2 3.37Å; T524-D700 VanDerWaalsContact CB-OD2 3.3Å; T524-D700 WeakPolarHBondContact CB-OD2 3.18Å; T524-D700 PolarHBondContact N-OD1 3.22Å; T524-D700 PolarHBondContact N-OD2 3.46Å
525N97.8Very high92.1Very high0 Ų022.6 Ų22.60%014%0.144CC..SBendtrans-113.1-60.5-178.6-62-18.1000112.1D433 L466 N604 I605 D700D433-N525 WeakPolarHBondContact CB-ND2 3.03Å; L466-N525 WeakPolarHBondContact CB-OD1 3.42Å; N525-N604 WeakPolarHBondContact O-CA 3.39Å; N525-N604 WeakPolarHBondContact O-CB 3.38Å; N525-N604 PolarHBondContact O-N 3.22Å; N525-I605 HydrophobicContact CB-CD1 3.67Å; N525-I605 HydrophobicContact CB-CG1 3.93Å; N525-I605 PolarHBondContact O-N 3.02Å; N525-I605 WeakPolarHBondContact OD1-CD1 3.48Å; N525-D700 VanDerWaalsContact CA-OD1 3.28Å; N525-D700 WeakPolarHBondContact CA-OD1 3.14Å; N525-D700 HydrophobicContact CB-CB 4.48Å; N525-D700 VanDerWaalsContact CB-OD1 3.26Å; N525-D700 WeakPolarHBondContact CB-OD1 3.46Å; N525-D700 PolarHBondContact N-OD1 3.36Å; N525-D700 PolarHBondContact N-OD2 3.03Å
526Y97.9Very high93.5Very high12 Ų1222 Ų225%0.04714%0.137CC..EExtended strand (participates in β ladder)trans-165.5151.1-177.247.4-98000112.5D465 F602 I608 Y609 D700D465-Y526 HydrophobicContact CB-CE1 4.33Å; D465-Y526 PolarHBondContact OD2-OH 2.77Å; Y526-F602 CarbonylContact C-O 3.56Å; Y526-F602 WeakPolarHBondContact CA-O 3.21Å; Y526-F602 WeakPolarHBondContact CB-O 3.41Å; Y526-I608 HydrophobicContact CD1-CB 3.82Å; Y526-I608 HydrophobicContact CD1-CD1 3.73Å; Y526-I608 HydrophobicContact CD1-CG1 3.64Å; Y526-I608 HydrophobicContact CD2-CD1 3.53Å; Y526-I608 HydrophobicContact CD2-CG1 3.97Å; Y526-I608 HydrophobicContact CE1-CB 3.79Å; Y526-I608 HydrophobicContact CE1-CD1 4.08Å; Y526-I608 HydrophobicContact CE1-CG1 3.52Å; Y526-I608 HydrophobicContact CE2-CD1 3.88Å; Y526-I608 HydrophobicContact CE2-CG1 3.84Å; Y526-I608 HydrophobicContact CG-CB 4.44Å; Y526-I608 HydrophobicContact CG-CD1 3.44Å; Y526-I608 VanDerWaalsContact CG-CD1 3.44Å; Y526-I608 HydrophobicContact CG-CG1 3.87Å; Y526-Y609 HydrophobicContact CE2-CE1 4.48Å; Y526-D700 PolarHBondContact N-OD1 3.28Å; Y526-D700 PolarHBondContact O-N 3.29Å
527F98.1Very high94.3Very high0 Ų021 Ų210%013%0.13CC..EExtended strand (participates in β ladder)trans-117.7145.2167.5164.5-102.6000109.2I504 V523 I529 A601 F602 I689 M697 Q698 V699 W704 I711 I713I504-F527 HydrophobicContact CD1-CB 3.84Å; I504-F527 HydrophobicContact CD1-CD1 4.29Å; I504-F527 HydrophobicContact CD1-CD2 3.46Å; I504-F527 VanDerWaalsContact CD1-CD2 3.46Å; I504-F527 HydrophobicContact CD1-CE2 4.06Å; I504-F527 HydrophobicContact CD1-CG 3.58Å; V523-F527 HydrophobicContact CG1-CB 4.25Å; V523-F527 HydrophobicContact CG2-CB 3.81Å; F527-I529 HydrophobicContact CE1-CD1 3.87Å; F527-I529 HydrophobicContact CE1-CG1 3.68Å; F527-I529 HydrophobicContact CE2-CG1 4.44Å; F527-I529 HydrophobicContact CZ-CD1 3.84Å; F527-I529 HydrophobicContact CZ-CG1 3.49Å; F527-I529 VanDerWaalsContact CZ-CG1 3.49Å; F527-A601 CarbonylContact O-C 3.52Å; F527-A601 WeakPolarHBondContact O-CA 3.47Å; F527-F602 HydrophobicContact CB-CB 4.43Å; F527-F602 HydrophobicContact CD1-CB 4.42Å; F527-F602 AromaticContact CD1-CD2 3.75Å; F527-F602 HydrophobicContact CD1-CD2 3.75Å; F527-F602 HydrophobicContact CD1-CE2 4.44Å; F527-F602 HydrophobicContact CD1-CG 4.33Å; F527-F602 HydrophobicContact CE1-CD2 4.24Å; F527-F602 PolarHBondContact N-O 2.99Å; F527-F602 PolarHBondContact O-N 3.05Å; F527-I689 HydrophobicContact CD1-CD1 4.44Å; F527-I689 HydrophobicContact CE1-CD1 3.71Å; F527-M697 HydrophobicContact CE2-CB 4.22Å; F527-M697 HydrophobicContact CE2-SD 4.29Å; F527-M697 HydrophobicContact CZ-SD 4.08Å; F527-Q698 WeakPolarHBondContact CA-O 3.45Å; F527-Q698 WeakPolarHBondContact CD2-O 3.5Å; F527-V699 HydrophobicContact CB-CG2 4.49Å; F527-V699 HydrophobicContact CD2-CG2 3.71Å; F527-W704 HydrophobicContact CD2-CH2 4.34Å; F527-W704 AromaticContact CE2-CH2 3.88Å; F527-W704 HydrophobicContact CE2-CH2 3.88Å; F527-W704 HydrophobicContact CE2-CZ2 4.42Å; F527-I711 HydrophobicContact CZ-CD1 3.85Å; F527-I713 HydrophobicContact CD1-CD1 3.71Å; F527-I713 HydrophobicContact CE1-CD1 4.19Å
528S98Very high94.9Very high0 Ų020.6 Ų20.60%011%0.109CC..EExtended strand (participates in β ladder)trans-153.3159.6175.4600000113.9D532 V600 M697 Q698S528-D532 WeakPolarHBondContact CB-OD2 3.45Å; S528-D532 PolarHBondContact OG-OD2 2.52Å; S528-V600 CarbonylContact C-O 3.58Å; S528-V600 WeakPolarHBondContact CA-O 3.25Å; S528-V600 VanDerWaalsContact CB-O 3.3Å; S528-V600 WeakPolarHBondContact CB-O 3.34Å; S528-M697 VanDerWaalsContact O-CA 3.29Å; S528-M697 WeakPolarHBondContact O-CA 3.32Å; S528-Q698 PolarHBondContact N-O 2.83Å; S528-Q698 PolarHBondContact O-N 3.1Å; S528-Q698 WeakPolarHBondContact OG-CG 3.31Å; S528-Q698 PolarHBondContact OG-NE2 3.11Å
529I98.2Very high95.3Very high1 Ų118.4 Ų18.41%0.00510%0.095CC..EExtended strand (participates in β ladder)trans-128.4127.7179.4-50.5174000107.2F527 L576 G599 V600 I689 T691 F695 M697F527-I529 HydrophobicContact CE1-CD1 3.87Å; F527-I529 HydrophobicContact CE1-CG1 3.68Å; F527-I529 HydrophobicContact CE2-CG1 4.44Å; F527-I529 HydrophobicContact CZ-CD1 3.84Å; F527-I529 HydrophobicContact CZ-CG1 3.49Å; F527-I529 VanDerWaalsContact CZ-CG1 3.49Å; I529-L576 HydrophobicContact CG2-CD1 4.12Å; I529-G599 CarbonylContact O-C 3.54Å; I529-G599 WeakPolarHBondContact O-CA 3.33Å; I529-V600 PolarHBondContact N-O 3.33Å; I529-V600 PolarHBondContact O-N 3.12Å; I529-I689 HydrophobicContact CD1-CD1 4.18Å; I529-I689 HydrophobicContact CD1-CG2 3.75Å; I529-T691 HydrophobicContact CD1-CG2 4.33Å; I529-F695 HydrophobicContact CG2-CB 3.72Å; I529-F695 HydrophobicContact CG2-CD2 4.31Å; I529-F695 HydrophobicContact CG2-CG 4.03Å; I529-M697 HydrophobicContact CB-CG 4.45Å; I529-M697 HydrophobicContact CD1-CE 4.08Å; I529-M697 HydrophobicContact CG1-CE 4.21Å; I529-M697 HydrophobicContact CG1-CG 4.07Å; I529-M697 HydrophobicContact CG1-SD 4.23Å; I529-M697 HydrophobicContact CG2-CE 4.1Å; I529-M697 HydrophobicContact CG2-CG 4.16Å
530G97.7Very high95.6Very high0 Ų017.7 Ų17.70%09%0.086CC..EExtended strand (participates in β ladder)trans116.5-143.9171.700000115.1D532 A533 S534 L576 E598 P696G530-D532 VanDerWaalsContact C-N 3.3Å; G530-D532 PolarHBondContact O-N 2.93Å; G530-A533 WeakPolarHBondContact O-CA 3.44Å; G530-A533 WeakPolarHBondContact O-CB 3.48Å; G530-A533 PolarHBondContact O-N 2.87Å; G530-S534 PolarHBondContact O-N 2.73Å; G530-L576 VanDerWaalsContact CA-CD1 3.43Å; G530-E598 WeakPolarHBondContact CA-O 3.2Å; G530-P696 PolarHBondContact N-O 3.49Å; G530-P696 WeakPolarHBondContact O-CG 3.44Å
531V95.6Very high95.9Very high0 Ų018.6 Ų18.60%09%0.093CC..Hα-helixtrans-58.1-37.4-163.369.30000114.3S534 I535 E567 C573 E598 I661 V664 M667V531-S534 WeakPolarHBondContact O-CB 3.33Å; V531-S534 PolarHBondContact O-N 2.92Å; V531-I535 WeakPolarHBondContact O-CG1 3.32Å; V531-I535 PolarHBondContact O-N 2.82Å; V531-E567 HydrophobicContact CG2-CG 3.43Å; V531-E567 VanDerWaalsContact CG2-CG 3.43Å; V531-C573 HydrophobicContact CB-CB 4.23Å; V531-E598 HydrophobicContact CB-CB 3.96Å; V531-E598 HydrophobicContact CG1-CB 3.84Å; V531-E598 PolarHBondContact N-O 2.86Å; V531-I661 HydrophobicContact CG1-CG2 3.79Å; V531-V664 HydrophobicContact CG1-CG2 4.42Å; V531-V664 HydrophobicContact CG2-CG2 3.47Å; V531-V664 VanDerWaalsContact CG2-CG2 3.47Å; V531-M667 HydrophobicContact CG1-CE 4.09Å
532D95Very high95.7Very high5 Ų517.5 Ų17.53%0.0279%0.086CC..Hα-helixtrans-71-37.7177.459.2-75.8000112.5S528 G530 S534 I535 A536 Y609 I661 M667S528-D532 WeakPolarHBondContact CB-OD2 3.45Å; S528-D532 PolarHBondContact OG-OD2 2.52Å; G530-D532 VanDerWaalsContact C-N 3.3Å; G530-D532 PolarHBondContact O-N 2.93Å; D532-S534 VanDerWaalsContact C-N 3.33Å; D532-I535 PolarHBondContact O-N 3.42Å; D532-A536 PolarHBondContact O-N 3.15Å; D532-Y609 HydrophobicContact CB-CE1 3.94Å; D532-Y609 HydrophobicContact CB-CE2 4.11Å; D532-Y609 VanDerWaalsContact CB-CZ 3.46Å; D532-Y609 WeakPolarHBondContact CB-OH 3.25Å; D532-Y609 PolarHBondContact OD2-OH 3.11Å; D532-I661 HydrophobicContact CB-CD1 4.23Å; D532-I661 WeakPolarHBondContact OD1-CD1 3.02Å; D532-M667 HydrophobicContact CB-CE 4.1Å; D532-M667 HydrophobicContact CB-SD 4.12Å
533A96.7Very high95.2Very high0 Ų023.1 Ų23.10%011%0.107CC..Hα-helixtrans-67.1-34.4172.100000111.7G530 I535 A536 H537 P696 Q698G530-A533 WeakPolarHBondContact O-CA 3.44Å; G530-A533 WeakPolarHBondContact O-CB 3.48Å; G530-A533 PolarHBondContact O-N 2.87Å; A533-I535 VanDerWaalsContact C-N 3.34Å; A533-I535 PolarHBondContact O-N 3.07Å; A533-A536 PolarHBondContact O-N 3.06Å; A533-H537 WeakPolarHBondContact O-CB 3.42Å; A533-H537 PolarHBondContact O-N 2.93Å; A533-P696 HydrophobicContact CB-CB 4.05Å; A533-P696 WeakPolarHBondContact CB-O 3.45Å; A533-Q698 HydrophobicContact CB-CB 4.13Å; A533-Q698 HydrophobicContact CB-CG 3.76Å
534S96.6Very high94.8Very high18 Ų1829.5 Ų29.513%0.12614%0.137CC..Hα-helixtrans-59.3-45172.3-1710000111.6G530 V531 D532 A536 H537 R538 E567G530-S534 PolarHBondContact O-N 2.73Å; V531-S534 WeakPolarHBondContact O-CB 3.33Å; V531-S534 PolarHBondContact O-N 2.92Å; D532-S534 VanDerWaalsContact C-N 3.33Å; S534-A536 PolarHBondContact O-N 2.76Å; S534-H537 WeakPolarHBondContact O-CB 3.09Å; S534-H537 PolarHBondContact O-N 2.77Å; S534-R538 PolarHBondContact O-N 2.83Å; S534-E567 WeakPolarHBondContact CB-OE2 3.41Å; S534-E567 PolarHBondContact OG-OE2 2.82Å
535I93.7Very high94.4Very high14 Ų1436 Ų367%0.07217%0.165CC..Hα-helixtrans-62.2-44.9177-65.3161.9000110.5V531 D532 A533 R538 F539 Y560 F563 A564 E567 V664V531-I535 WeakPolarHBondContact O-CG1 3.32Å; V531-I535 PolarHBondContact O-N 2.82Å; D532-I535 PolarHBondContact O-N 3.42Å; A533-I535 VanDerWaalsContact C-N 3.34Å; A533-I535 PolarHBondContact O-N 3.07Å; I535-R538 PolarHBondContact O-N 2.75Å; I535-F539 WeakPolarHBondContact O-CB 3.31Å; I535-F539 PolarHBondContact O-N 2.89Å; I535-Y560 HydrophobicContact CG2-CD1 4.05Å; I535-F563 HydrophobicContact CG2-CB 4.07Å; I535-A564 HydrophobicContact CD1-CB 3.79Å; I535-A564 HydrophobicContact CG1-CB 4.43Å; I535-A564 HydrophobicContact CG2-CB 4.46Å; I535-E567 HydrophobicContact CD1-CB 4.31Å; I535-E567 HydrophobicContact CD1-CG 4.4Å; I535-E567 HydrophobicContact CG1-CB 3.8Å; I535-E567 HydrophobicContact CG1-CG 3.95Å; I535-V664 HydrophobicContact CD1-CG1 4.38Å; I535-V664 HydrophobicContact CD1-CG2 3.95Å
536A95Very high93.9Very high7 Ų739.5 Ų39.56%0.05818%0.179CC..Hα-helixtrans-61.2-45.4175.800000111.4D532 A533 S534 R538 F539 H540 P703D532-A536 PolarHBondContact O-N 3.15Å; A533-A536 PolarHBondContact O-N 3.06Å; S534-A536 PolarHBondContact O-N 2.76Å; A536-R538 PolarHBondContact O-N 3.06Å; A536-F539 WeakPolarHBondContact O-CB 3.45Å; A536-F539 PolarHBondContact O-N 3.04Å; A536-F539 VanDerWaalsContact O-N 3.16Å; A536-H540 WeakPolarHBondContact O-CB 2.99Å; A536-H540 PolarHBondContact O-N 3.46Å; A536-P703 HydrophobicContact CB-CB 3.95Å; A536-P703 HydrophobicContact CB-CG 4.28Å
537H95.2Very high93.2Very high47 Ų4743 Ų4322%0.21820%0.203CC..Hα-helixtrans-57.6-47.1177.9-176.5-90.9000112A533 S534 F539 H540 T541 P703A533-H537 WeakPolarHBondContact O-CB 3.42Å; A533-H537 PolarHBondContact O-N 2.93Å; S534-H537 WeakPolarHBondContact O-CB 3.09Å; S534-H537 PolarHBondContact O-N 2.77Å; H537-F539 PolarHBondContact O-N 3.38Å; H537-H540 PolarHBondContact O-N 3.08Å; H537-T541 WeakPolarHBondContact O-CB 3.27Å; H537-T541 PolarHBondContact O-N 2.89Å; H537-T541 PolarHBondContact O-OG1 3.05Å; H537-P703 VanDerWaalsContact CA-CG 3.44Å; H537-P703 HydrophobicContact CB-CB 3.91Å; H537-P703 HydrophobicContact CB-CG 4.26Å
538R94Very high92.5Very high81 Ų8148 Ų4831%0.30623%0.226SC..Hα-helixtrans-64.3-39.8176.4-169.6169.7-179.2165.1-2.8112S534 I535 A536 M542 F563S534-R538 PolarHBondContact O-N 2.83Å; I535-R538 PolarHBondContact O-N 2.75Å; A536-R538 PolarHBondContact O-N 3.06Å; R538-M542 WeakPolarHBondContact O-CB 3.25Å; R538-M542 VanDerWaalsContact O-CG 3.23Å; R538-M542 WeakPolarHBondContact O-CG 3.45Å; R538-M542 PolarHBondContact O-N 2.82Å; R538-M542 VanDerWaalsContact O-N 3.07Å; R538-F563 HydrophobicContact CB-CG 4.37Å; R538-F563 HydrophobicContact CG-CD1 3.77Å; R538-F563 HydrophobicContact CG-CD2 4.44Å; R538-F563 HydrophobicContact CG-CE1 4.06Å; R538-F563 HydrophobicContact CG-CG 3.99Å
539F91.7Very high91.6Very high10 Ų1052.2 Ų52.24%0.04424%0.244CC..Hα-helixtrans-60.9-46.1174179.6-86.4000112I535 A536 H537 R543 F550 N556 W559 Y560 F563I535-F539 WeakPolarHBondContact O-CB 3.31Å; I535-F539 PolarHBondContact O-N 2.89Å; A536-F539 WeakPolarHBondContact O-CB 3.45Å; A536-F539 PolarHBondContact O-N 3.04Å; A536-F539 VanDerWaalsContact O-N 3.16Å; H537-F539 PolarHBondContact O-N 3.38Å; F539-R543 VanDerWaalsContact O-CB 3.26Å; F539-R543 WeakPolarHBondContact O-CB 3.24Å; F539-R543 PolarHBondContact O-N 3.1Å; F539-F550 HydrophobicContact CD2-CD1 4.33Å; F539-F550 AromaticContact CD2-CE1 3.78Å; F539-F550 HydrophobicContact CD2-CE1 3.78Å; F539-F550 HydrophobicContact CE1-CD1 4.33Å; F539-F550 AromaticContact CE2-CD1 3.59Å; F539-F550 HydrophobicContact CE2-CD1 3.59Å; F539-F550 AromaticContact CE2-CE1 3.48Å; F539-F550 HydrophobicContact CE2-CE1 3.48Å; F539-F550 VanDerWaalsContact CE2-CE1 3.48Å; F539-F550 HydrophobicContact CG-CE1 4.42Å; F539-F550 AromaticContact CZ-CD1 3.58Å; F539-F550 HydrophobicContact CZ-CD1 3.58Å; F539-F550 AromaticContact CZ-CE1 3.89Å; F539-F550 HydrophobicContact CZ-CE1 3.89Å; F539-N556 HydrophobicContact CE2-CB 4Å; F539-N556 WeakPolarHBondContact CE2-O 3.39Å; F539-N556 HydrophobicContact CZ-CB 3.91Å; F539-W559 HydrophobicContact CD2-CB 4.06Å; F539-W559 HydrophobicContact CE2-CB 4.05Å; F539-Y560 HydrophobicContact CB-CD1 4.35Å; F539-Y560 HydrophobicContact CB-CE1 3.88Å; F539-Y560 HydrophobicContact CD1-CE1 4.27Å; F539-Y560 AromaticContact CD1-CE2 3.87Å; F539-Y560 HydrophobicContact CD1-CE2 3.87Å; F539-Y560 AromaticContact CD1-CZ 3.55Å; F539-Y560 VanDerWaalsContact CD1-OH 3.27Å; F539-Y560 WeakPolarHBondContact CD1-OH 3.45Å; F539-Y560 HydrophobicContact CD2-CD1 4.19Å; F539-Y560 AromaticContact CD2-CD2 3.63Å; F539-Y560 HydrophobicContact CD2-CD2 3.63Å; F539-Y560 HydrophobicContact CD2-CE1 4.07Å; F539-Y560 AromaticContact CD2-CE2 3.47Å; F539-Y560 HydrophobicContact CD2-CE2 3.47Å; F539-Y560 VanDerWaalsContact CD2-CE2 3.47Å; F539-Y560 AromaticContact CD2-CG 3.98Å; F539-Y560 HydrophobicContact CD2-CG 3.98Å; F539-Y560 AromaticContact CD2-CZ 3.71Å; F539-Y560 AromaticContact CE1-CE2 3.77Å; F539-Y560 HydrophobicContact CE1-CE2 3.77Å; F539-Y560 AromaticContact CE1-CZ 3.89Å; F539-Y560 AromaticContact CE2-CD2 3.57Å; F539-Y560 HydrophobicContact CE2-CD2 3.57Å; F539-Y560 AromaticContact CE2-CE2 3.36Å; F539-Y560 HydrophobicContact CE2-CE2 3.36Å; F539-Y560 HydrophobicContact CE2-CG 4.35Å; F539-Y560 HydrophobicContact CG-CD1 4.32Å; F539-Y560 HydrophobicContact CG-CD2 4.27Å; F539-Y560 AromaticContact CG-CE1 3.81Å; F539-Y560 HydrophobicContact CG-CE1 3.81Å; F539-Y560 AromaticContact CG-CE2 3.74Å; F539-Y560 HydrophobicContact CG-CE2 3.74Å; F539-Y560 AromaticContact CG-CZ 3.47Å; F539-Y560 VanDerWaalsContact CG-CZ 3.47Å; F539-Y560 HydrophobicContact CZ-CD2 4.18Å; F539-Y560 AromaticContact CZ-CE2 3.53Å; F539-Y560 HydrophobicContact CZ-CE2 3.53Å; F539-F563 HydrophobicContact CB-CD2 3.89Å; F539-F563 HydrophobicContact CB-CE2 4.05Å; F539-F563 HydrophobicContact CD2-CD2 4.28Å; F539-F563 HydrophobicContact CD2-CE2 4.09Å; F539-F563 HydrophobicContact CG-CE2 4.49Å
540H91.9Very high90.8Very high51 Ų5152.7 Ų52.724%0.23625%0.247CC..Hα-helixtrans-62.8-53.3179.2-173.399000111.3A536 H537 M542 R543 E544 E702 P703A536-H540 WeakPolarHBondContact O-CB 2.99Å; A536-H540 PolarHBondContact O-N 3.46Å; H537-H540 PolarHBondContact O-N 3.08Å; H540-M542 VanDerWaalsContact C-N 3.29Å; H540-M542 PolarHBondContact O-N 3.12Å; H540-R543 WeakPolarHBondContact O-CA 3.04Å; H540-R543 WeakPolarHBondContact O-CB 3.42Å; H540-R543 PolarHBondContact O-N 3.19Å; H540-E544 IonicContact CD2-OE1 3.79Å; H540-E544 IonicContact CD2-OE2 2.71Å; H540-E544 VanDerWaalsContact NE2-CD 3.27Å; H540-E544 IonicContact NE2-OE1 3.44Å; H540-E544 PolarHBondContact NE2-OE1 3.18Å; H540-E544 VanDerWaalsContact NE2-OE1 3.13Å; H540-E544 IonicContact NE2-OE2 2.94Å; H540-E544 PolarHBondContact O-N 3.26Å; H540-E702 IonicContact CE1-OE2 3.18Å; H540-E702 IonicContact ND1-OE2 3.77Å; H540-P703 HydrophobicContact CB-CG 3.54Å
541T92.7Very high89.8Confident60 Ų6057.2 Ų57.237%0.36827%0.271SS..Hα-helixtrans-53.8-45.5178.3-55.30000111.7H537 R543 K545H537-T541 WeakPolarHBondContact O-CB 3.27Å; H537-T541 PolarHBondContact O-N 2.89Å; H537-T541 PolarHBondContact O-OG1 3.05Å; T541-R543 VanDerWaalsContact C-N 3.35Å; T541-K545 WeakPolarHBondContact O-CB 3.26Å; T541-K545 PolarHBondContact O-N 3.34Å; T541-K545 VanDerWaalsContact O-N 3.08Å
542M90.5Very high88.9Confident51 Ų5159 Ų5925%0.25128%0.284SS..Hα-helixtrans-70.3-32.1179.9-71.2-63.3-66.800112.7R538 H540 Y546 F550 F563R538-M542 WeakPolarHBondContact O-CB 3.25Å; R538-M542 VanDerWaalsContact O-CG 3.23Å; R538-M542 WeakPolarHBondContact O-CG 3.45Å; R538-M542 PolarHBondContact O-N 2.82Å; R538-M542 VanDerWaalsContact O-N 3.07Å; H540-M542 VanDerWaalsContact C-N 3.29Å; H540-M542 PolarHBondContact O-N 3.12Å; M542-Y546 HydrophobicContact CE-CD2 3.69Å; M542-Y546 HydrophobicContact CE-CE2 3.71Å; M542-Y546 PolarHBondContact O-N 2.9Å; M542-Y546 HydrophobicContact SD-CD2 4.35Å; M542-Y546 HydrophobicContact SD-CE2 4.2Å; M542-F550 VanDerWaalsContact C-CE2 3.48Å; M542-F550 HydrophobicContact CB-CE2 4.14Å; M542-F550 HydrophobicContact CB-CZ 3.7Å; M542-F550 VanDerWaalsContact O-CE2 3.25Å; M542-F550 WeakPolarHBondContact O-CE2 3.39Å; M542-F563 HydrophobicContact CB-CE2 4.39Å; M542-F563 HydrophobicContact CB-CZ 3.9Å; M542-F563 HydrophobicContact CG-CE1 4.17Å; M542-F563 HydrophobicContact CG-CE2 4.48Å; M542-F563 HydrophobicContact CG-CZ 3.7Å
543R87.7Confident88Confident127 Ų12761.9 Ų61.948%0.47929%0.294SS..Hα-helixtrans-70.9-37.6176.9177.5178.2175.4-153.3-6.1112.4F539 H540 T541 P547 F550F539-R543 VanDerWaalsContact O-CB 3.26Å; F539-R543 WeakPolarHBondContact O-CB 3.24Å; F539-R543 PolarHBondContact O-N 3.1Å; H540-R543 WeakPolarHBondContact O-CA 3.04Å; H540-R543 WeakPolarHBondContact O-CB 3.42Å; H540-R543 PolarHBondContact O-N 3.19Å; T541-R543 VanDerWaalsContact C-N 3.35Å; R543-P547 WeakPolarHBondContact O-CA 3.38Å; R543-F550 HydrophobicContact CB-CB 4.4Å; R543-F550 HydrophobicContact CB-CD1 3.92Å; R543-F550 HydrophobicContact CB-CD2 3.96Å; R543-F550 HydrophobicContact CB-CE1 4.13Å; R543-F550 HydrophobicContact CB-CE2 4.19Å; R543-F550 HydrophobicContact CB-CG 3.82Å; R543-F550 HydrophobicContact CB-CZ 4.26Å; R543-F550 HydrophobicContact CG-CB 3.87Å; R543-F550 HydrophobicContact CG-CD1 4.22Å; R543-F550 HydrophobicContact CG-CD2 4.24Å; R543-F550 HydrophobicContact CG-CG 3.85Å
544E88.1Confident87.2Confident134 Ų13469 Ų6963%0.62633%0.329SS*.Hα-helixtrans-68.5-41.4174.1-68-173.2134.500111.4H540H540-E544 IonicContact CD2-OE1 3.79Å; H540-E544 IonicContact CD2-OE2 2.71Å; H540-E544 VanDerWaalsContact NE2-CD 3.27Å; H540-E544 IonicContact NE2-OE1 3.44Å; H540-E544 PolarHBondContact NE2-OE1 3.18Å; H540-E544 VanDerWaalsContact NE2-OE1 3.13Å; H540-E544 IonicContact NE2-OE2 2.94Å; H540-E544 PolarHBondContact O-N 3.26Å
545K90.6Very high86.3Confident138 Ų13873 Ų7360%0.634%0.344SS*.Hα-helixtrans-71.3-31.9-179.9-164.9173.3-177.3-176.70113.7T541T541-K545 WeakPolarHBondContact O-CB 3.26Å; T541-K545 PolarHBondContact O-N 3.34Å; T541-K545 VanDerWaalsContact O-N 3.08Å
546Y86.3Confident85.8Confident73 Ų7372.7 Ų72.729%0.28634%0.342SS..  trans-138.959.2-174.1-54.2-69.7000112.8M542 E548 K549 F550M542-Y546 HydrophobicContact CE-CD2 3.69Å; M542-Y546 HydrophobicContact CE-CE2 3.71Å; M542-Y546 PolarHBondContact O-N 2.9Å; M542-Y546 HydrophobicContact SD-CD2 4.35Å; M542-Y546 HydrophobicContact SD-CE2 4.2Å; Y546-E548 VanDerWaalsContact CA-OE2 3.32Å; Y546-E548 WeakPolarHBondContact CA-OE2 3.5Å; Y546-E548 PolarHBondContact O-N 3.26Å; Y546-K549 HydrophobicContact CG-CD 4.34Å; Y546-K549 WeakPolarHBondContact O-CB 3.25Å; Y546-K549 PolarHBondContact O-N 3.05Å; Y546-F550 VanDerWaalsContact O-CD2 3.27Å; Y546-F550 WeakPolarHBondContact O-CD2 3.41Å
547P83.5Confident85.1Confident85 Ų8577.1 Ų77.155%0.55236%0.36SS*.G310 helixtrans-56.7-29-171.723.7-34.7000114R543 K549 F550R543-P547 WeakPolarHBondContact O-CA 3.38Å; P547-K549 PolarHBondContact O-N 3.27Å; P547-F550 PolarHBondContact O-N 3.17Å; P547-F550 VanDerWaalsContact O-N 3.07Å
548E83.5Confident84.2Confident105 Ų10580.1 Ų80.149%0.49138%0.378SS..G310 helixtrans-62.1-27.7176.877.1-67.3163.600113.3Y546 F550 N551Y546-E548 VanDerWaalsContact CA-OE2 3.32Å; Y546-E548 WeakPolarHBondContact CA-OE2 3.5Å; Y546-E548 PolarHBondContact O-N 3.26Å; E548-F550 VanDerWaalsContact C-N 3.29Å; E548-F550 PolarHBondContact O-N 3.04Å; E548-N551 VanDerWaalsContact O-CG 3.3Å; E548-N551 PolarHBondContact O-ND2 3.5Å; E548-N551 VanDerWaalsContact O-ND2 3.08Å
549K79.5Confident83.8Confident89 Ų8978.8 Ų78.839%0.38737%0.373SS..G310 helixtrans-79.3-11.9176.9-63.8-178.7-172.61730113.1Y546 P547 W559Y546-K549 HydrophobicContact CG-CD 4.34Å; Y546-K549 WeakPolarHBondContact O-CB 3.25Å; Y546-K549 PolarHBondContact O-N 3.05Å; P547-K549 PolarHBondContact O-N 3.27Å; K549-W559 HydrophobicContact CB-CZ2 4.38Å; K549-W559 HydrophobicContact CD-CZ2 4.32Å; K549-W559 PolarHBondContact O-NE1 3.07Å
550F81.8Confident83.4Confident12 Ų1282 Ų825%0.05339%0.385CS..G310 helixtrans-111.918.5-173.8-65.9-98.1000114.2F539 M542 R543 Y546 P547 E548 S552 N556 W559F539-F550 HydrophobicContact CD2-CD1 4.33Å; F539-F550 AromaticContact CD2-CE1 3.78Å; F539-F550 HydrophobicContact CD2-CE1 3.78Å; F539-F550 HydrophobicContact CE1-CD1 4.33Å; F539-F550 AromaticContact CE2-CD1 3.59Å; F539-F550 HydrophobicContact CE2-CD1 3.59Å; F539-F550 AromaticContact CE2-CE1 3.48Å; F539-F550 HydrophobicContact CE2-CE1 3.48Å; F539-F550 VanDerWaalsContact CE2-CE1 3.48Å; F539-F550 HydrophobicContact CG-CE1 4.42Å; F539-F550 AromaticContact CZ-CD1 3.58Å; F539-F550 HydrophobicContact CZ-CD1 3.58Å; F539-F550 AromaticContact CZ-CE1 3.89Å; F539-F550 HydrophobicContact CZ-CE1 3.89Å; M542-F550 VanDerWaalsContact C-CE2 3.48Å; M542-F550 HydrophobicContact CB-CE2 4.14Å; M542-F550 HydrophobicContact CB-CZ 3.7Å; M542-F550 VanDerWaalsContact O-CE2 3.25Å; M542-F550 WeakPolarHBondContact O-CE2 3.39Å; R543-F550 HydrophobicContact CB-CB 4.4Å; R543-F550 HydrophobicContact CB-CD1 3.92Å; R543-F550 HydrophobicContact CB-CD2 3.96Å; R543-F550 HydrophobicContact CB-CE1 4.13Å; R543-F550 HydrophobicContact CB-CE2 4.19Å; R543-F550 HydrophobicContact CB-CG 3.82Å; R543-F550 HydrophobicContact CB-CZ 4.26Å; R543-F550 HydrophobicContact CG-CB 3.87Å; R543-F550 HydrophobicContact CG-CD1 4.22Å; R543-F550 HydrophobicContact CG-CD2 4.24Å; R543-F550 HydrophobicContact CG-CG 3.85Å; Y546-F550 VanDerWaalsContact O-CD2 3.27Å; Y546-F550 WeakPolarHBondContact O-CD2 3.41Å; P547-F550 PolarHBondContact O-N 3.17Å; P547-F550 VanDerWaalsContact O-N 3.07Å; E548-F550 VanDerWaalsContact C-N 3.29Å; E548-F550 PolarHBondContact O-N 3.04Å; F550-S552 VanDerWaalsContact C-N 3.27Å; F550-S552 PolarHBondContact O-N 2.86Å; F550-N556 VanDerWaalsContact C-OD1 3.22Å; F550-N556 WeakPolarHBondContact CA-OD1 3.48Å; F550-N556 WeakPolarHBondContact CB-OD1 3.48Å; F550-N556 PolarHBondContact O-ND2 3.49Å; F550-N556 PolarHBondContact O-OD1 3.1Å; F550-N556 VanDerWaalsContact O-OD1 3.04Å; F550-W559 AromaticContact CD1-CD1 3.79Å; F550-W559 HydrophobicContact CD1-CG 4.43Å; F550-W559 HydrophobicContact CE1-CB 3.94Å; F550-W559 AromaticContact CE1-CD1 3.46Å; F550-W559 VanDerWaalsContact CE1-CD1 3.46Å; F550-W559 HydrophobicContact CE1-CD2 4.44Å; F550-W559 AromaticContact CE1-CG 3.71Å; F550-W559 HydrophobicContact CE1-CG 3.71Å; F550-W559 AromaticContact CZ-CD1 3.82Å; F550-W559 HydrophobicContact CZ-CD2 4.24Å; F550-W559 AromaticContact CZ-CG 3.99Å; F550-W559 HydrophobicContact CZ-CG 3.99Å
551N76.2Confident82.7Confident94 Ų9484.7 Ų84.750%0.50340%0.401SS..SBendtrans-78.50-176.66513.5000115.4E548E548-N551 VanDerWaalsContact O-CG 3.3Å; E548-N551 PolarHBondContact O-ND2 3.5Å; E548-N551 VanDerWaalsContact O-ND2 3.08Å
552S76.7Confident82.1Confident39 Ų3986.2 Ų86.227%0.27340%0.403SS..  trans-132.9129.4-178.7170.60000111.2F550 M554 K555 N556F550-S552 VanDerWaalsContact C-N 3.27Å; F550-S552 PolarHBondContact O-N 2.86Å; S552-M554 PolarHBondContact O-N 2.86Å; S552-M554 VanDerWaalsContact O-N 3.16Å; S552-M554 PolarHBondContact OG-N 3.17Å; S552-K555 PolarHBondContact O-N 2.84Å; S552-K555 VanDerWaalsContact O-N 3.08Å; S552-N556 WeakPolarHBondContact O-CB 3.34Å; S552-N556 PolarHBondContact O-N 3.39Å; S552-N556 PolarHBondContact O-ND2 3.4Å; S552-N556 PolarHBondContact O-OD1 3.13Å
553R77.2Confident82Confident65 Ų6584 Ų8425%0.24539%0.392CS..Hα-helixtrans-54.7-34.9174.4175172.154.6-158.1-7113.1G461 T462 F476 K557G461-R553 WeakPolarHBondContact O-CD 3.36Å; T462-R553 HydrophobicContact CG2-CG 4.37Å; F476-R553 PolarHBondContact O-NH2 2.79Å; R553-K557 WeakPolarHBondContact O-CG 3.49Å; R553-K557 PolarHBondContact O-N 3.24Å
554M78.3Confident81.6Confident148 Ų14878.7 Ų78.773%0.72938%0.376SS*.Hα-helixtrans-70.5-44.8178.1-174.7177.375.500111S552 N556 K557 L558S552-M554 PolarHBondContact O-N 2.86Å; S552-M554 VanDerWaalsContact O-N 3.16Å; S552-M554 PolarHBondContact OG-N 3.17Å; M554-N556 VanDerWaalsContact C-N 3.34Å; M554-K557 PolarHBondContact O-N 2.88Å; M554-L558 PolarHBondContact O-N 3.33Å
555K78.5Confident81Confident102 Ų10275.5 Ų75.544%0.44337%0.366SS..Hα-helixtrans-61.8-43.5175.2-67-176.7179.7179.10111.2S552 K557 L558 W559S552-K555 PolarHBondContact O-N 2.84Å; S552-K555 VanDerWaalsContact O-N 3.08Å; K555-K557 VanDerWaalsContact C-N 3.3Å; K555-K557 PolarHBondContact O-N 3.02Å; K555-L558 WeakPolarHBondContact O-CA 3.26Å; K555-L558 WeakPolarHBondContact O-CB 3.48Å; K555-L558 PolarHBondContact O-N 3Å; K555-W559 VanDerWaalsContact O-CD1 3.31Å; K555-W559 PolarHBondContact O-N 3.27Å
556N83.5Confident80.4Confident8 Ų870.5 Ų70.54%0.04335%0.348CS..Hα-helixtrans-59.6-41.4178.6-63.9-6.6000111.9T462 F539 F550 S552 M554 L558 W559 Y560T462-N556 HydrophobicContact CG2-CB 3.62Å; T462-N556 PolarHBondContact OG1-ND2 3.47Å; T462-N556 VanDerWaalsContact OG1-ND2 3.08Å; F539-N556 HydrophobicContact CE2-CB 4Å; F539-N556 WeakPolarHBondContact CE2-O 3.39Å; F539-N556 HydrophobicContact CZ-CB 3.91Å; F550-N556 VanDerWaalsContact C-OD1 3.22Å; F550-N556 WeakPolarHBondContact CA-OD1 3.48Å; F550-N556 WeakPolarHBondContact CB-OD1 3.48Å; F550-N556 PolarHBondContact O-ND2 3.49Å; F550-N556 PolarHBondContact O-OD1 3.1Å; F550-N556 VanDerWaalsContact O-OD1 3.04Å; S552-N556 WeakPolarHBondContact O-CB 3.34Å; S552-N556 PolarHBondContact O-N 3.39Å; S552-N556 PolarHBondContact O-ND2 3.4Å; S552-N556 PolarHBondContact O-OD1 3.13Å; M554-N556 VanDerWaalsContact C-N 3.34Å; N556-L558 VanDerWaalsContact C-N 3.31Å; N556-L558 PolarHBondContact O-N 3.18Å; N556-W559 PolarHBondContact O-N 3Å; N556-Y560 VanDerWaalsContact O-CD2 3.27Å; N556-Y560 WeakPolarHBondContact O-CD2 3.5Å; N556-Y560 PolarHBondContact O-N 2.86Å; N556-Y560 VanDerWaalsContact O-N 3.07Å
557K80.5Confident80.3Confident100 Ų10067.2 Ų67.244%0.43534%0.335SS..Hα-helixtrans-64.2-35.1174.7-74.2176.7179.7-175.40113R553 M554 K555 L561R553-K557 WeakPolarHBondContact O-CG 3.49Å; R553-K557 PolarHBondContact O-N 3.24Å; M554-K557 PolarHBondContact O-N 2.88Å; K555-K557 VanDerWaalsContact C-N 3.3Å; K555-K557 PolarHBondContact O-N 3.02Å; K557-L561 PolarHBondContact O-N 3.16Å
558L75.8Confident80Confident111 Ų11165.2 Ų65.258%0.58132%0.323SS*.Hα-helixtrans-67.3-41.8175.3-175.662.1000111.1M554 K555 N556 Y560 L561 E562M554-L558 PolarHBondContact O-N 3.33Å; K555-L558 WeakPolarHBondContact O-CA 3.26Å; K555-L558 WeakPolarHBondContact O-CB 3.48Å; K555-L558 PolarHBondContact O-N 3Å; N556-L558 VanDerWaalsContact C-N 3.31Å; N556-L558 PolarHBondContact O-N 3.18Å; L558-Y560 PolarHBondContact O-N 3.31Å; L558-L561 HydrophobicContact CD1-CD2 4.41Å; L558-L561 WeakPolarHBondContact O-CB 3.44Å; L558-L561 PolarHBondContact O-N 3.05Å; L558-L561 VanDerWaalsContact O-N 3.1Å; L558-E562 PolarHBondContact O-N 2.79Å
559W84.7Confident79.7Confident53 Ų5368.7 Ų68.720%0.20134%0.337CS..Hα-helixtrans-58.7-44.9173.4-73.9125.5000112.6F539 K549 F550 K555 N556 L561 E562 F563F539-W559 HydrophobicContact CD2-CB 4.06Å; F539-W559 HydrophobicContact CE2-CB 4.05Å; K549-W559 HydrophobicContact CB-CZ2 4.38Å; K549-W559 HydrophobicContact CD-CZ2 4.32Å; K549-W559 PolarHBondContact O-NE1 3.07Å; F550-W559 AromaticContact CD1-CD1 3.79Å; F550-W559 HydrophobicContact CD1-CG 4.43Å; F550-W559 HydrophobicContact CE1-CB 3.94Å; F550-W559 AromaticContact CE1-CD1 3.46Å; F550-W559 VanDerWaalsContact CE1-CD1 3.46Å; F550-W559 HydrophobicContact CE1-CD2 4.44Å; F550-W559 AromaticContact CE1-CG 3.71Å; F550-W559 HydrophobicContact CE1-CG 3.71Å; F550-W559 AromaticContact CZ-CD1 3.82Å; F550-W559 HydrophobicContact CZ-CD2 4.24Å; F550-W559 AromaticContact CZ-CG 3.99Å; F550-W559 HydrophobicContact CZ-CG 3.99Å; K555-W559 VanDerWaalsContact O-CD1 3.31Å; K555-W559 PolarHBondContact O-N 3.27Å; N556-W559 PolarHBondContact O-N 3Å; W559-L561 VanDerWaalsContact C-N 3.27Å; W559-L561 PolarHBondContact O-N 3.28Å; W559-E562 VanDerWaalsContact CE3-OE2 3.27Å; W559-E562 WeakPolarHBondContact CZ3-OE2 3.43Å; W559-E562 PolarHBondContact O-N 3.37Å; W559-F563 HydrophobicContact CB-CD2 4.38Å; W559-F563 HydrophobicContact CB-CE2 3.83Å; W559-F563 HydrophobicContact CB-CZ 4.35Å; W559-F563 HydrophobicContact CD2-CZ 4.32Å; W559-F563 HydrophobicContact CE3-CE1 4.11Å; W559-F563 HydrophobicContact CE3-CE2 4.35Å; W559-F563 AromaticContact CE3-CZ 3.72Å; W559-F563 HydrophobicContact CE3-CZ 3.72Å; W559-F563 HydrophobicContact CG-CE2 4.5Å; W559-F563 HydrophobicContact CZ3-CZ 4.41Å; W559-F563 WeakPolarHBondContact O-CD2 3.21Å; W559-F563 VanDerWaalsContact O-CG 3.26Å; W559-F563 WeakPolarHBondContact O-CG 3.39Å; W559-F563 PolarHBondContact O-N 3.48Å
560Y84.1Confident79.9Confident78 Ų7869.9 Ų69.931%0.30634%0.344SS..Hα-helixtrans-57.5-39.4173.6-86.3-71.3000112.8I535 F539 N556 L558 A564I535-Y560 HydrophobicContact CG2-CD1 4.05Å; F539-Y560 HydrophobicContact CB-CD1 4.35Å; F539-Y560 HydrophobicContact CB-CE1 3.88Å; F539-Y560 HydrophobicContact CD1-CE1 4.27Å; F539-Y560 AromaticContact CD1-CE2 3.87Å; F539-Y560 HydrophobicContact CD1-CE2 3.87Å; F539-Y560 AromaticContact CD1-CZ 3.55Å; F539-Y560 VanDerWaalsContact CD1-OH 3.27Å; F539-Y560 WeakPolarHBondContact CD1-OH 3.45Å; F539-Y560 HydrophobicContact CD2-CD1 4.19Å; F539-Y560 AromaticContact CD2-CD2 3.63Å; F539-Y560 HydrophobicContact CD2-CD2 3.63Å; F539-Y560 HydrophobicContact CD2-CE1 4.07Å; F539-Y560 AromaticContact CD2-CE2 3.47Å; F539-Y560 HydrophobicContact CD2-CE2 3.47Å; F539-Y560 VanDerWaalsContact CD2-CE2 3.47Å; F539-Y560 AromaticContact CD2-CG 3.98Å; F539-Y560 HydrophobicContact CD2-CG 3.98Å; F539-Y560 AromaticContact CD2-CZ 3.71Å; F539-Y560 AromaticContact CE1-CE2 3.77Å; F539-Y560 HydrophobicContact CE1-CE2 3.77Å; F539-Y560 AromaticContact CE1-CZ 3.89Å; F539-Y560 AromaticContact CE2-CD2 3.57Å; F539-Y560 HydrophobicContact CE2-CD2 3.57Å; F539-Y560 AromaticContact CE2-CE2 3.36Å; F539-Y560 HydrophobicContact CE2-CE2 3.36Å; F539-Y560 HydrophobicContact CE2-CG 4.35Å; F539-Y560 HydrophobicContact CG-CD1 4.32Å; F539-Y560 HydrophobicContact CG-CD2 4.27Å; F539-Y560 AromaticContact CG-CE1 3.81Å; F539-Y560 HydrophobicContact CG-CE1 3.81Å; F539-Y560 AromaticContact CG-CE2 3.74Å; F539-Y560 HydrophobicContact CG-CE2 3.74Å; F539-Y560 AromaticContact CG-CZ 3.47Å; F539-Y560 VanDerWaalsContact CG-CZ 3.47Å; F539-Y560 HydrophobicContact CZ-CD2 4.18Å; F539-Y560 AromaticContact CZ-CE2 3.53Å; F539-Y560 HydrophobicContact CZ-CE2 3.53Å; N556-Y560 VanDerWaalsContact O-CD2 3.27Å; N556-Y560 WeakPolarHBondContact O-CD2 3.5Å; N556-Y560 PolarHBondContact O-N 2.86Å; N556-Y560 VanDerWaalsContact O-N 3.07Å; L558-Y560 PolarHBondContact O-N 3.31Å; Y560-A564 WeakPolarHBondContact O-CB 3.5Å; Y560-A564 PolarHBondContact O-N 2.99Å
561L77.3Confident80.2Confident107 Ų10770.7 Ų70.756%0.5635%0.353SS*.Hα-helixtrans-65.6-46.6176.3178.263.2000111.4K557 L558 W559 A564 T565K557-L561 PolarHBondContact O-N 3.16Å; L558-L561 HydrophobicContact CD1-CD2 4.41Å; L558-L561 WeakPolarHBondContact O-CB 3.44Å; L558-L561 PolarHBondContact O-N 3.05Å; L558-L561 VanDerWaalsContact O-N 3.1Å; W559-L561 VanDerWaalsContact C-N 3.27Å; W559-L561 PolarHBondContact O-N 3.28Å; L561-A564 PolarHBondContact O-N 3.19Å; L561-T565 PolarHBondContact O-N 3.2Å; L561-T565 PolarHBondContact O-OG1 2.78Å
562E80.5Confident80.8Confident91 Ų9169.8 Ų69.843%0.42535%0.351SS..Hα-helixtrans-61.4-44.6179.1-176.7179.6158.900112.3L558 W559 T565 S566L558-E562 PolarHBondContact O-N 2.79Å; W559-E562 VanDerWaalsContact CE3-OE2 3.27Å; W559-E562 WeakPolarHBondContact CZ3-OE2 3.43Å; W559-E562 PolarHBondContact O-N 3.37Å; E562-T565 PolarHBondContact O-N 3.39Å; E562-S566 PolarHBondContact O-N 3.13Å; E562-S566 PolarHBondContact O-OG 2.7Å
563F87.2Confident81.6Confident4 Ų468.1 Ų68.12%0.01834%0.339CS..Hα-helixtrans-67.2-38.8176.7-60-34.6000111.7I535 R538 F539 M542 W559 T565 S566 E567I535-F563 HydrophobicContact CG2-CB 4.07Å; R538-F563 HydrophobicContact CB-CG 4.37Å; R538-F563 HydrophobicContact CG-CD1 3.77Å; R538-F563 HydrophobicContact CG-CD2 4.44Å; R538-F563 HydrophobicContact CG-CE1 4.06Å; R538-F563 HydrophobicContact CG-CG 3.99Å; F539-F563 HydrophobicContact CB-CD2 3.89Å; F539-F563 HydrophobicContact CB-CE2 4.05Å; F539-F563 HydrophobicContact CD2-CD2 4.28Å; F539-F563 HydrophobicContact CD2-CE2 4.09Å; F539-F563 HydrophobicContact CG-CE2 4.49Å; M542-F563 HydrophobicContact CB-CE2 4.39Å; M542-F563 HydrophobicContact CB-CZ 3.9Å; M542-F563 HydrophobicContact CG-CE1 4.17Å; M542-F563 HydrophobicContact CG-CE2 4.48Å; M542-F563 HydrophobicContact CG-CZ 3.7Å; W559-F563 HydrophobicContact CB-CD2 4.38Å; W559-F563 HydrophobicContact CB-CE2 3.83Å; W559-F563 HydrophobicContact CB-CZ 4.35Å; W559-F563 HydrophobicContact CD2-CZ 4.32Å; W559-F563 HydrophobicContact CE3-CE1 4.11Å; W559-F563 HydrophobicContact CE3-CE2 4.35Å; W559-F563 AromaticContact CE3-CZ 3.72Å; W559-F563 HydrophobicContact CE3-CZ 3.72Å; W559-F563 HydrophobicContact CG-CE2 4.5Å; W559-F563 HydrophobicContact CZ3-CZ 4.41Å; W559-F563 WeakPolarHBondContact O-CD2 3.21Å; W559-F563 VanDerWaalsContact O-CG 3.26Å; W559-F563 WeakPolarHBondContact O-CG 3.39Å; W559-F563 PolarHBondContact O-N 3.48Å; F563-T565 PolarHBondContact O-N 2.95Å; F563-S566 PolarHBondContact O-N 2.92Å; F563-E567 VanDerWaalsContact O-CB 3.27Å; F563-E567 WeakPolarHBondContact O-CB 3.31Å; F563-E567 PolarHBondContact O-N 3.47Å
564A80Confident82.4Confident16 Ų1671.1 Ų71.113%0.13235%0.354CS..Hα-helixtrans-61.8-42.1173.600000112.5I535 Y560 L561 S568 V664I535-A564 HydrophobicContact CD1-CB 3.79Å; I535-A564 HydrophobicContact CG1-CB 4.43Å; I535-A564 HydrophobicContact CG2-CB 4.46Å; Y560-A564 WeakPolarHBondContact O-CB 3.5Å; Y560-A564 PolarHBondContact O-N 2.99Å; L561-A564 PolarHBondContact O-N 3.19Å; A564-S568 PolarHBondContact O-N 2.77Å; A564-S568 PolarHBondContact O-OG 2.93Å; A564-V664 HydrophobicContact CB-CG1 3.86Å
565T75Confident83.2Confident68 Ų6866.2 Ų66.242%0.41733%0.331SS..Hα-helixtrans-63.2-46.6174.5-62.60000111.3L561 E562 F563 E567 S568 F569L561-T565 PolarHBondContact O-N 3.2Å; L561-T565 PolarHBondContact O-OG1 2.78Å; E562-T565 PolarHBondContact O-N 3.39Å; F563-T565 PolarHBondContact O-N 2.95Å; T565-E567 PolarHBondContact O-N 2.83Å; T565-S568 WeakPolarHBondContact O-CB 3.41Å; T565-S568 PolarHBondContact O-N 2.77Å; T565-F569 HydrophobicContact CG2-CD2 4.24Å; T565-F569 HydrophobicContact CG2-CE2 3.74Å; T565-F569 WeakPolarHBondContact O-CD2 3.35Å; T565-F569 PolarHBondContact O-N 3.05Å
566S77.8Confident84Confident32 Ų3261.4 Ų61.422%0.22431%0.31CS..Hα-helixtrans-60.3-45.3178.4-58.90000112E562 F563 S568 F569 Q570E562-S566 PolarHBondContact O-N 3.13Å; E562-S566 PolarHBondContact O-OG 2.7Å; F563-S566 PolarHBondContact O-N 2.92Å; S566-S568 VanDerWaalsContact C-N 3.3Å; S566-S568 PolarHBondContact O-N 2.73Å; S566-F569 PolarHBondContact O-N 2.9Å; S566-Q570 WeakPolarHBondContact O-CG 3.45Å; S566-Q570 PolarHBondContact O-N 2.66Å
567E84.9Confident84.6Confident4 Ų462.2 Ų62.22%0.01931%0.313CS..Hα-helixtrans-64.4-34.8178.3-174.360.6-129.700111.8V531 S534 I535 F563 T565 F569 Q570 A571 T572V531-E567 HydrophobicContact CG2-CG 3.43Å; V531-E567 VanDerWaalsContact CG2-CG 3.43Å; S534-E567 WeakPolarHBondContact CB-OE2 3.41Å; S534-E567 PolarHBondContact OG-OE2 2.82Å; I535-E567 HydrophobicContact CD1-CB 4.31Å; I535-E567 HydrophobicContact CD1-CG 4.4Å; I535-E567 HydrophobicContact CG1-CB 3.8Å; I535-E567 HydrophobicContact CG1-CG 3.95Å; F563-E567 VanDerWaalsContact O-CB 3.27Å; F563-E567 WeakPolarHBondContact O-CB 3.31Å; F563-E567 PolarHBondContact O-N 3.47Å; T565-E567 PolarHBondContact O-N 2.83Å; E567-F569 PolarHBondContact O-N 3.38Å; E567-Q570 PolarHBondContact O-N 2.63Å; E567-A571 PolarHBondContact O-N 3.14Å; E567-T572 VanDerWaalsContact OE1-CB 3.25Å; E567-T572 WeakPolarHBondContact OE1-CB 3.29Å; E567-T572 VanDerWaalsContact OE1-CG2 3.28Å; E567-T572 WeakPolarHBondContact OE1-CG2 3.37Å; E567-T572 PolarHBondContact OE1-N 2.92Å; E567-T572 PolarHBondContact OE1-OG1 2.96Å
568S77.5Confident85.3Confident44 Ų4462.4 Ų62.431%0.30832%0.316SS..Hα-helixtrans-60.2-32.3175.4-56.40000112.8A564 T565 S566 V664A564-S568 PolarHBondContact O-N 2.77Å; A564-S568 PolarHBondContact O-OG 2.93Å; T565-S568 WeakPolarHBondContact O-CB 3.41Å; T565-S568 PolarHBondContact O-N 2.77Å; S566-S568 VanDerWaalsContact C-N 3.3Å; S566-S568 PolarHBondContact O-N 2.73Å; S568-V664 VanDerWaalsContact OG-CB 3.25Å; S568-V664 WeakPolarHBondContact OG-CB 3.26Å; S568-V664 WeakPolarHBondContact OG-CG1 3.42Å
569F77.6Confident86.3Confident177 Ų17760.5 Ų60.578%0.77630%0.303SS*.Hα-helixtrans-84.1-37.5176.5-69.7-70.4000112.6T565 S566 E567T565-F569 HydrophobicContact CG2-CD2 4.24Å; T565-F569 HydrophobicContact CG2-CE2 3.74Å; T565-F569 WeakPolarHBondContact O-CD2 3.35Å; T565-F569 PolarHBondContact O-N 3.05Å; S566-F569 PolarHBondContact O-N 2.9Å; E567-F569 PolarHBondContact O-N 3.38Å
570Q83.3Confident86.9Confident115 Ų11558.3 Ų58.354%0.53730%0.295SS..Hα-helixtrans-74.2-31.8-179.6-70.3179-2600112.5S566 E567 T572S566-Q570 WeakPolarHBondContact O-CG 3.45Å; S566-Q570 PolarHBondContact O-N 2.66Å; E567-Q570 PolarHBondContact O-N 2.63Å; Q570-T572 VanDerWaalsContact C-N 3.27Å; Q570-T572 HydrophobicContact CB-CG2 3.97Å; Q570-T572 PolarHBondContact O-N 3.22Å
571A86.9Confident87.5Confident29 Ų2958.8 Ų58.824%0.2430%0.3CS..  trans48.445.3179.300000113E567 C573 K574E567-A571 PolarHBondContact O-N 3.14Å; A571-C573 PolarHBondContact O-N 3.08Å; A571-C573 VanDerWaalsContact O-N 3.1Å; A571-K574 HydrophobicContact CB-CB 4.41Å; A571-K574 WeakPolarHBondContact O-CB 3.41Å; A571-K574 PolarHBondContact O-N 3.18Å
572T89.8Confident88.5Confident75 Ų7553.8 Ų53.846%0.4627%0.274SS..THydrogen-bonded Turntrans-60.5-29.3-17064.10000112.9E567 Q570E567-T572 VanDerWaalsContact OE1-CB 3.25Å; E567-T572 WeakPolarHBondContact OE1-CB 3.29Å; E567-T572 VanDerWaalsContact OE1-CG2 3.28Å; E567-T572 WeakPolarHBondContact OE1-CG2 3.37Å; E567-T572 PolarHBondContact OE1-N 2.92Å; E567-T572 PolarHBondContact OE1-OG1 2.96Å; Q570-T572 VanDerWaalsContact C-N 3.27Å; Q570-T572 HydrophobicContact CB-CG2 3.97Å; Q570-T572 PolarHBondContact O-N 3.22Å
573C93.8Very high89.3Confident3 Ų352.2 Ų52.22%0.0227%0.269CS..THydrogen-bonded Turntrans-101.721.8-179-60.10000113.4V531 A571 N575 L576 E598V531-C573 HydrophobicContact CB-CB 4.23Å; A571-C573 PolarHBondContact O-N 3.08Å; A571-C573 VanDerWaalsContact O-N 3.1Å; C573-N575 PolarHBondContact O-N 2.83Å; C573-L576 HydrophobicContact CB-CD1 4.49Å; C573-L576 WeakPolarHBondContact O-CB 3.24Å; C573-L576 PolarHBondContact O-N 3.45Å; C573-E598 WeakPolarHBondContact CB-O 3.46Å; C573-E598 WeakPolarHBondContact O-CA 3.06Å
574K93.1Very high89.8Confident129 Ų12952.4 Ų52.456%0.56127%0.27SS*.THydrogen-bonded Turntrans-53.9141.6177.7-170.2176.6-179.8-176.50111.3A571 L576A571-K574 HydrophobicContact CB-CB 4.41Å; A571-K574 WeakPolarHBondContact O-CB 3.41Å; A571-K574 PolarHBondContact O-N 3.18Å; K574-L576 PolarHBondContact O-N 2.72Å
575N94.4Very high90.6Very high45 Ų4555 Ų5524%0.24128%0.282CS..THydrogen-bonded Turntrans55.530.8179.5-63.1-7.4000114.1C573 H577 E578C573-N575 PolarHBondContact O-N 2.83Å; N575-H577 PolarHBondContact O-N 2.86Å; N575-H577 VanDerWaalsContact O-N 3.09Å; N575-E578 HydrophobicContact CB-CG 4.26Å; N575-E578 PolarHBondContact ND2-OE1 3.3Å; N575-E578 WeakPolarHBondContact O-CB 3.36Å; N575-E578 PolarHBondContact O-N 2.92Å
576L96.6Very high91.6Very high0 Ų054.6 Ų54.60%029%0.292CS..G310 helixtrans-49.7-40179.3174.2149.1000113I529 G530 C573 K574 E578 F579 V580 L597 V600 F695I529-L576 HydrophobicContact CG2-CD1 4.12Å; G530-L576 VanDerWaalsContact CA-CD1 3.43Å; C573-L576 HydrophobicContact CB-CD1 4.49Å; C573-L576 WeakPolarHBondContact O-CB 3.24Å; C573-L576 PolarHBondContact O-N 3.45Å; K574-L576 PolarHBondContact O-N 2.72Å; L576-E578 PolarHBondContact O-N 3.18Å; L576-E578 VanDerWaalsContact O-N 3.09Å; L576-F579 PolarHBondContact O-N 2.77Å; L576-V580 HydrophobicContact CD2-CB 4.21Å; L576-V580 HydrophobicContact CD2-CG2 3.7Å; L576-V580 HydrophobicContact CG-CG2 3.87Å; L576-V580 WeakPolarHBondContact O-CG2 3.49Å; L576-V580 PolarHBondContact O-N 3.33Å; L576-L597 WeakPolarHBondContact CB-O 3.42Å; L576-L597 PolarHBondContact N-O 2.99Å; L576-V600 HydrophobicContact CD2-CG2 4.02Å; L576-F695 HydrophobicContact CB-CE1 3.97Å; L576-F695 HydrophobicContact CB-CZ 4.09Å; L576-F695 HydrophobicContact CD1-CD1 3.88Å; L576-F695 HydrophobicContact CD1-CE1 3.59Å; L576-F695 HydrophobicContact CD1-CZ 4.02Å; L576-F695 HydrophobicContact CG-CD1 4.41Å; L576-F695 HydrophobicContact CG-CE1 3.68Å; L576-F695 HydrophobicContact CG-CE2 4.43Å; L576-F695 HydrophobicContact CG-CZ 3.65Å
577H94.9Very high92.4Very high26 Ų2659.1 Ų59.112%0.1231%0.313CS..G310 helixtrans-54.4-2317766.3-55.8000116.1N575 F579 L591 L597N575-H577 PolarHBondContact O-N 2.86Å; N575-H577 VanDerWaalsContact O-N 3.09Å; H577-F579 VanDerWaalsContact C-N 3.28Å; H577-L591 HydrophobicContact CB-CB 3.99Å; H577-L597 HydrophobicContact CB-CB 4.13Å; H577-L597 HydrophobicContact CB-CD1 4.45Å; H577-L597 HydrophobicContact CB-CG 4.35Å; H577-L597 PolarHBondContact ND1-N 2.81Å
578E96Very high92.9Very high104 Ų10463.7 Ų63.749%0.48634%0.343SS..G310 helixtrans-75.4-19.5176.7-66.4170.6-16300112.4N575 L576N575-E578 HydrophobicContact CB-CG 4.26Å; N575-E578 PolarHBondContact ND2-OE1 3.3Å; N575-E578 WeakPolarHBondContact O-CB 3.36Å; N575-E578 PolarHBondContact O-N 2.92Å; L576-E578 PolarHBondContact O-N 3.18Å; L576-E578 VanDerWaalsContact O-N 3.09Å
579F96.5Very high93.7Very high70 Ų7063.4 Ų63.431%0.30734%0.338SS..SBendtrans-117.38.6-172.8-56.3-84.6000113.2L576 H577 K692 K693 F695L576-F579 PolarHBondContact O-N 2.77Å; H577-F579 VanDerWaalsContact C-N 3.28Å; F579-K692 HydrophobicContact CB-CB 4.32Å; F579-K692 HydrophobicContact CD1-CB 4.45Å; F579-K692 PolarHBondContact O-N 3.22Å; F579-K693 HydrophobicContact CB-CD 4.17Å; F579-K693 HydrophobicContact CB-CG 4Å; F579-K693 HydrophobicContact CD1-CD 4.06Å; F579-K693 HydrophobicContact CD1-CG 4.38Å; F579-K693 HydrophobicContact CD2-CD 4.04Å; F579-K693 HydrophobicContact CE1-CD 4.5Å; F579-K693 HydrophobicContact CE2-CD 4.49Å; F579-K693 HydrophobicContact CG-CD 3.81Å; F579-K693 HydrophobicContact CG-CG 4.14Å; F579-F695 HydrophobicContact CB-CE2 3.92Å; F579-F695 HydrophobicContact CB-CZ 3.9Å
580V97.3Very high94.3Very high7 Ų759.9 Ų59.94%0.04233%0.327CS..EExtended strand (participates in β ladder)trans-130.6128.3-178.2-178.50000109.5L576 I582 L591 I689 R690 T691 F695L576-V580 HydrophobicContact CD2-CB 4.21Å; L576-V580 HydrophobicContact CD2-CG2 3.7Å; L576-V580 HydrophobicContact CG-CG2 3.87Å; L576-V580 WeakPolarHBondContact O-CG2 3.49Å; L576-V580 PolarHBondContact O-N 3.33Å; V580-I582 HydrophobicContact CG1-CD1 4.16Å; V580-I582 HydrophobicContact CG1-CG1 3.85Å; V580-L591 WeakPolarHBondContact O-CD1 3.35Å; V580-I689 HydrophobicContact CG1-CG2 3.72Å; V580-R690 WeakPolarHBondContact CA-O 3.43Å; V580-T691 HydrophobicContact CG2-CG2 4.26Å; V580-F695 HydrophobicContact CG2-CD2 4.33Å; V580-F695 HydrophobicContact CG2-CE2 3.63Å; V580-F695 HydrophobicContact CG2-CZ 4.07Å
581E97.3Very high94.7Very high89 Ų8954.9 Ų54.942%0.41630%0.304SS..EExtended strand (participates in β ladder)trans-112.5134.9172.3-64.5169.9-172.200108.5I689 R690 K692E581-I689 CarbonylContact O-C 3.57Å; E581-I689 VanDerWaalsContact O-CA 3.29Å; E581-I689 WeakPolarHBondContact O-CA 3.44Å; E581-R690 HydrophobicContact CB-CB 4.32Å; E581-R690 PolarHBondContact N-O 2.71Å; E581-R690 PolarHBondContact O-N 3.1Å; E581-K692 WeakPolarHBondContact OE1-CE 3.18Å; E581-K692 IonicContact OE1-NZ 2.7Å; E581-K692 PolarHBondContact OE1-NZ 3.33Å
582I98.1Very high94.6Very high2 Ų257.2 Ų57.21%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-131.4125.5-177.6-55.6179.2000108.9V580 L589 L591 V600 F602 V688 I689V580-I582 HydrophobicContact CG1-CD1 4.16Å; V580-I582 HydrophobicContact CG1-CG1 3.85Å; I582-L589 HydrophobicContact CB-CB 4.4Å; I582-L589 HydrophobicContact CB-CD1 4.15Å; I582-L589 HydrophobicContact CB-CG 4.41Å; I582-L589 HydrophobicContact CG2-CD1 3.78Å; I582-L589 HydrophobicContact CG2-CG 4.25Å; I582-L589 PolarHBondContact O-N 3.23Å; I582-L591 HydrophobicContact CD1-CD1 3.99Å; I582-L591 HydrophobicContact CG1-CD1 4.14Å; I582-V600 HydrophobicContact CD1-CB 4.3Å; I582-V600 HydrophobicContact CD1-CG1 3.7Å; I582-V600 HydrophobicContact CD1-CG2 4.12Å; I582-F602 HydrophobicContact CD1-CZ 4.35Å; I582-F602 HydrophobicContact CG2-CZ 4.02Å; I582-V688 CarbonylContact C-O 3.52Å; I582-V688 WeakPolarHBondContact CA-O 3.41Å; I582-I689 HydrophobicContact CG1-CG1 4.33Å; I582-I689 HydrophobicContact CG1-CG2 4.18Å; I582-I689 HydrophobicContact CG2-CG1 4.41Å
583N97.8Very high94.2Very high57 Ų5757.4 Ų57.431%0.30532%0.324SS..EExtended strand (participates in β ladder)trans-110.1125.7169.7-64.1-7.5000108.8L587 P588 A687 V688N583-L587 CarbonylContact C-O 3.51Å; N583-L587 VanDerWaalsContact CA-O 3.29Å; N583-L587 WeakPolarHBondContact CA-O 3.26Å; N583-P588 VanDerWaalsContact OD1-CA 3.31Å; N583-P588 WeakPolarHBondContact OD1-CA 3.3Å; N583-P588 WeakPolarHBondContact OD1-CB 3.34Å; N583-A687 CarbonylContact O-C 3.55Å; N583-A687 WeakPolarHBondContact O-CA 3.09Å; N583-V688 HydrophobicContact CB-CB 4.45Å; N583-V688 PolarHBondContact N-O 3.13Å; N583-V688 PolarHBondContact O-N 2.61Å
584C97.6Very high93.5Very high8 Ų860.4 Ų60.45%0.05436%0.356CS..EExtended strand (participates in β ladder)trans-112.5123177.1-70.70000109.3G586 L587 L589 A682 C684C584-G586 PolarHBondContact O-N 2.98Å; C584-G586 VanDerWaalsContact O-N 3.13Å; C584-L587 PolarHBondContact N-O 3.21Å; C584-L587 PolarHBondContact O-N 2.93Å; C584-L589 HydrophobicContact CB-CD2 4.24Å; C584-L589 HydrophobicContact CB-CG 4.4Å; C584-L589 VanDerWaalsContact SG-CD1 3.55Å; C584-A682 HydrophobicContact CB-CB 4.18Å; C584-C684 HydrophobicContact CB-CB 3.74Å
585D97.1Very high93.2Very high70 Ų7057 Ų5737%0.37435%0.349SS..THydrogen-bonded Turntrans49.337.3-174.5-63.4-26.7000112.8L587 K655 C684 S685 S686D585-L587 VanDerWaalsContact C-N 3.32Å; D585-L587 PolarHBondContact O-N 3.32Å; D585-K655 IonicContact OD2-NZ 2.84Å; D585-C684 VanDerWaalsContact OD2-CA 3.23Å; D585-C684 WeakPolarHBondContact OD2-CA 3.38Å; D585-C684 WeakPolarHBondContact OD2-CB 3.43Å; D585-S685 WeakPolarHBondContact OD1-CA 3.44Å; D585-S685 PolarHBondContact OD1-N 2.96Å; D585-S685 PolarHBondContact OD2-N 3.23Å; D585-S686 PolarHBondContact N-O 3.39Å; D585-S686 PolarHBondContact OD1-N 2.64Å; D585-S686 PolarHBondContact OD1-OG 3.46Å; D585-S686 VanDerWaalsContact OD1-OG 3.05Å
586G94.6Very high93.2Very high61 Ų6158.1 Ų58.163%0.62936%0.358SS*.THydrogen-bonded Turntrans84.4-7.9-178.600000115.7C584C584-G586 PolarHBondContact O-N 2.98Å; C584-G586 VanDerWaalsContact O-N 3.13Å
587L95.3Very high93.2Very high126 Ų12658.1 Ų58.166%0.6636%0.358SS*.EExtended strand (participates in β ladder)trans-98.2127.5-178.2-61.4175.8000111.5N583 C584 D585 L589N583-L587 CarbonylContact C-O 3.51Å; N583-L587 VanDerWaalsContact CA-O 3.29Å; N583-L587 WeakPolarHBondContact CA-O 3.26Å; C584-L587 PolarHBondContact N-O 3.21Å; C584-L587 PolarHBondContact O-N 2.93Å; D585-L587 VanDerWaalsContact C-N 3.32Å; D585-L587 PolarHBondContact O-N 3.32Å; L587-L589 PolarHBondContact O-N 3.36Å
588P95.5Very high93.2Very high100 Ų10058.5 Ų58.565%0.64936%0.36SS*.EExtended strand (participates in β ladder)trans-68.4132.6178.328.4-34000111.6N583N583-P588 VanDerWaalsContact OD1-CA 3.31Å; N583-P588 WeakPolarHBondContact OD1-CA 3.3Å; N583-P588 WeakPolarHBondContact OD1-CB 3.34Å
589L93.3Very high93.3Very high39 Ų3953.6 Ų53.620%0.20434%0.337CS..PPolyproline II helixtrans-83125.4172.1-62.3-171.7000110.3I582 C584 L587 L591 V658 L681 A682I582-L589 HydrophobicContact CB-CB 4.4Å; I582-L589 HydrophobicContact CB-CD1 4.15Å; I582-L589 HydrophobicContact CB-CG 4.41Å; I582-L589 HydrophobicContact CG2-CD1 3.78Å; I582-L589 HydrophobicContact CG2-CG 4.25Å; I582-L589 PolarHBondContact O-N 3.23Å; C584-L589 HydrophobicContact CB-CD2 4.24Å; C584-L589 HydrophobicContact CB-CG 4.4Å; C584-L589 VanDerWaalsContact SG-CD1 3.55Å; L587-L589 PolarHBondContact O-N 3.36Å; L589-L591 HydrophobicContact CB-CD2 4.12Å; L589-L591 PolarHBondContact O-N 3.26Å; L589-V658 HydrophobicContact CD1-CG1 4.34Å; L589-L681 HydrophobicContact CD1-CB 4.17Å; L589-A682 HydrophobicContact CD1-CB 4.11Å; L589-A682 HydrophobicContact CD2-CB 3.93Å
590N91.1Very high93.3Very high103 Ų10350.2 Ų50.255%0.55132%0.322SS*.  trans-79.188.2173.7-172.1-13.7000111.3A592 T593N590-A592 VanDerWaalsContact C-N 3.31Å; N590-A592 PolarHBondContact O-N 2.62Å; N590-A592 PolarHBondContact OD1-N 2.8Å; N590-T593 WeakPolarHBondContact ND2-CG2 3.44Å; N590-T593 PolarHBondContact O-OG1 3.42Å; N590-T593 PolarHBondContact OD1-N 3.42Å
591L91.9Very high93.4Very high9 Ų949.9 Ų49.95%0.04732%0.32CS..THydrogen-bonded Turntrans-75-18.1178.8-56.5-175.5000113.9H577 V580 I582 L589 T593 L597 L681H577-L591 HydrophobicContact CB-CB 3.99Å; V580-L591 WeakPolarHBondContact O-CD1 3.35Å; I582-L591 HydrophobicContact CD1-CD1 3.99Å; I582-L591 HydrophobicContact CG1-CD1 4.14Å; L589-L591 HydrophobicContact CB-CD2 4.12Å; L589-L591 PolarHBondContact O-N 3.26Å; L591-T593 PolarHBondContact O-N 3.42Å; L591-L597 HydrophobicContact CD2-CD1 4.45Å; L591-L681 HydrophobicContact CD2-CD1 3.89Å; L591-L681 HydrophobicContact CD2-CD2 4.36Å
592A84.4Confident93.4Very high79 Ų7945.7 Ų45.765%0.65330%0.3SS*.THydrogen-bonded Turntrans-72-16.1-178.800000113.3N590N590-A592 VanDerWaalsContact C-N 3.31Å; N590-A592 PolarHBondContact O-N 2.62Å; N590-A592 PolarHBondContact OD1-N 2.8Å
593T81Confident93.4Very high79 Ų7945.6 Ų45.649%0.48530%0.3SS..SBendtrans-81.8125.7178.656.60000111.8N590 L591 K679N590-T593 WeakPolarHBondContact ND2-CG2 3.44Å; N590-T593 PolarHBondContact O-OG1 3.42Å; N590-T593 PolarHBondContact OD1-N 3.42Å; L591-T593 PolarHBondContact O-N 3.42Å; T593-K679 PolarHBondContact O-NZ 2.94Å
594G80.5Confident93.4Very high66 Ų6642.9 Ų42.968%0.6829%0.286SS*.SBendtrans93.1-158.4176.100000113.9
595S86.3Confident93.5Very high58 Ų5842.5 Ų42.541%0.40628%0.283SS..SBendtrans-69.3148-176.4-38.10000112Q662S595-Q662 VanDerWaalsContact CB-NE2 3.28Å; S595-Q662 PolarHBondContact OG-NE2 2.64Å
596P93.5Very high93.3Very high68 Ų6841.1 Ų41.144%0.44228%0.278SS..  trans-50.1142.6171.3-28.736000112.4
597L96.2Very high93.3Very high0 Ų038.5 Ų38.50%025%0.25CC..  trans-104.1138.4173.8-54.5179.5000110.1L576 H577 L591 V600 I661 Q662 K679 L681L576-L597 WeakPolarHBondContact CB-O 3.42Å; L576-L597 PolarHBondContact N-O 2.99Å; H577-L597 HydrophobicContact CB-CB 4.13Å; H577-L597 HydrophobicContact CB-CD1 4.45Å; H577-L597 HydrophobicContact CB-CG 4.35Å; H577-L597 PolarHBondContact ND1-N 2.81Å; L591-L597 HydrophobicContact CD2-CD1 4.45Å; L597-V600 HydrophobicContact CD1-CG2 4.34Å; L597-I661 CarbonylContact C-O 3.59Å; L597-I661 WeakPolarHBondContact CA-O 3.03Å; L597-Q662 HydrophobicContact CD2-CG 3.83Å; L597-K679 HydrophobicContact CD2-CD 4.12Å; L597-L681 HydrophobicContact CD1-CD1 4.28Å
598E96.4Very high93.3Very high34 Ų3432.5 Ų32.516%0.15922%0.218CC..SBendtrans-101.3-9.4171.2-67.7179.5-174.800111.9G530 V531 C573 I661 Q662 S663G530-E598 WeakPolarHBondContact CA-O 3.2Å; V531-E598 HydrophobicContact CB-CB 3.96Å; V531-E598 HydrophobicContact CG1-CB 3.84Å; V531-E598 PolarHBondContact N-O 2.86Å; C573-E598 WeakPolarHBondContact CB-O 3.46Å; C573-E598 WeakPolarHBondContact O-CA 3.06Å; E598-I661 PolarHBondContact N-O 3.05Å; E598-Q662 WeakPolarHBondContact CG-O 3.44Å; E598-S663 VanDerWaalsContact OE2-CA 3.28Å; E598-S663 WeakPolarHBondContact OE2-CA 3.16Å
599G97.2Very high92.9Very high0 Ų031 Ų310%020%0.2CC..EExtended strand (participates in β ladder)trans-163.3162.8175.800000113.5I529 I661I529-G599 CarbonylContact O-C 3.54Å; I529-G599 WeakPolarHBondContact O-CA 3.33Å; G599-I661 PolarHBondContact N-O 3.41Å; G599-I661 VanDerWaalsContact N-O 3.12Å; G599-I661 PolarHBondContact O-N 3.25Å
600V97.9Very high92.6Very high0 Ų030.3 Ų30.30%020%0.202CC..EExtended strand (participates in β ladder)trans-133.6133.4170.2179.40000108.4S528 I529 L576 I582 L597 F602 V658 V659 L681S528-V600 CarbonylContact C-O 3.58Å; S528-V600 WeakPolarHBondContact CA-O 3.25Å; S528-V600 VanDerWaalsContact CB-O 3.3Å; S528-V600 WeakPolarHBondContact CB-O 3.34Å; I529-V600 PolarHBondContact N-O 3.33Å; I529-V600 PolarHBondContact O-N 3.12Å; L576-V600 HydrophobicContact CD2-CG2 4.02Å; I582-V600 HydrophobicContact CD1-CB 4.3Å; I582-V600 HydrophobicContact CD1-CG1 3.7Å; I582-V600 HydrophobicContact CD1-CG2 4.12Å; L597-V600 HydrophobicContact CD1-CG2 4.34Å; V600-F602 HydrophobicContact CG1-CD2 4.45Å; V600-F602 HydrophobicContact CG1-CE2 3.92Å; V600-V658 HydrophobicContact CG1-CG1 3.84Å; V600-V659 WeakPolarHBondContact CA-O 3.43Å; V600-L681 HydrophobicContact CG1-CD1 4.39Å
601A98.1Very high92.4Very high0 Ų027 Ų270%019%0.192CC..EExtended strand (participates in β ladder)trans-125.3138.5177.100000111.5F527 L603 V658 V659 I661F527-A601 CarbonylContact O-C 3.52Å; F527-A601 WeakPolarHBondContact O-CA 3.47Å; A601-L603 HydrophobicContact CB-CD2 3.87Å; A601-V658 WeakPolarHBondContact O-CA 3.46Å; A601-V659 HydrophobicContact CB-CG2 3.8Å; A601-V659 PolarHBondContact N-O 3.11Å; A601-V659 PolarHBondContact O-N 3.41Å; A601-I661 HydrophobicContact CB-CD1 4.23Å
602F98.4Very high92.4Very high0 Ų026.9 Ų26.90%019%0.193CC..EExtended strand (participates in β ladder)trans-103.7112.4172.5-69.8-99.7000107.2Y526 F527 I582 V600 I656 E657 V658 A687 I689 I713Y526-F602 CarbonylContact C-O 3.56Å; Y526-F602 WeakPolarHBondContact CA-O 3.21Å; Y526-F602 WeakPolarHBondContact CB-O 3.41Å; F527-F602 HydrophobicContact CB-CB 4.43Å; F527-F602 HydrophobicContact CD1-CB 4.42Å; F527-F602 AromaticContact CD1-CD2 3.75Å; F527-F602 HydrophobicContact CD1-CD2 3.75Å; F527-F602 HydrophobicContact CD1-CE2 4.44Å; F527-F602 HydrophobicContact CD1-CG 4.33Å; F527-F602 HydrophobicContact CE1-CD2 4.24Å; F527-F602 PolarHBondContact N-O 2.99Å; F527-F602 PolarHBondContact O-N 3.05Å; I582-F602 HydrophobicContact CD1-CZ 4.35Å; I582-F602 HydrophobicContact CG2-CZ 4.02Å; V600-F602 HydrophobicContact CG1-CD2 4.45Å; V600-F602 HydrophobicContact CG1-CE2 3.92Å; F602-I656 HydrophobicContact CB-CD1 3.71Å; F602-I656 HydrophobicContact CB-CG1 4.09Å; F602-I656 HydrophobicContact CD1-CD1 4.48Å; F602-I656 HydrophobicContact CD1-CG2 4.27Å; F602-E657 CarbonylContact C-O 3.56Å; F602-E657 WeakPolarHBondContact CA-O 3.47Å; F602-V658 HydrophobicContact CD1-CG1 4.4Å; F602-V658 HydrophobicContact CD1-CG2 3.66Å; F602-V658 HydrophobicContact CE1-CB 4.34Å; F602-V658 HydrophobicContact CE1-CG1 3.97Å; F602-V658 HydrophobicContact CE1-CG2 3.46Å; F602-V658 VanDerWaalsContact CE1-CG2 3.46Å; F602-V658 HydrophobicContact CE2-CG1 4.31Å; F602-V658 HydrophobicContact CZ-CG1 3.92Å; F602-V658 HydrophobicContact CZ-CG2 4.25Å; F602-A687 HydrophobicContact CD1-CB 4.32Å; F602-A687 HydrophobicContact CE1-CB 3.47Å; F602-A687 VanDerWaalsContact CE1-CB 3.47Å; F602-A687 HydrophobicContact CZ-CB 4.12Å; F602-I689 HydrophobicContact CD2-CD1 4.14Å; F602-I689 HydrophobicContact CE1-CD1 4.44Å; F602-I689 HydrophobicContact CE2-CD1 3.31Å; F602-I689 HydrophobicContact CE2-CG1 4.08Å; F602-I689 HydrophobicContact CZ-CD1 3.49Å; F602-I689 VanDerWaalsContact CZ-CD1 3.49Å; F602-I689 HydrophobicContact CZ-CG1 3.82Å; F602-I713 HydrophobicContact CB-CD1 4.23Å; F602-I713 HydrophobicContact CD1-CD1 3.72Å; F602-I713 HydrophobicContact CD2-CD1 3.98Å; F602-I713 HydrophobicContact CE1-CD1 4.04Å; F602-I713 HydrophobicContact CE2-CD1 4.28Å; F602-I713 HydrophobicContact CG-CD1 3.69Å; F602-I713 HydrophobicContact CZ-CD1 4.31Å
603L98.1Very high92.8Very high1 Ų125.3 Ų25.31%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-106.9118.8-170.5-47.3175.5000108.8A601 I608 L614 W615 Q649 I656 E657 V659A601-L603 HydrophobicContact CB-CD2 3.87Å; L603-I608 HydrophobicContact CD2-CD1 3.66Å; L603-I608 HydrophobicContact CD2-CG2 4.49Å; L603-L614 HydrophobicContact CD1-CB 4.01Å; L603-W615 HydrophobicContact CD1-CB 4.4Å; L603-Q649 PolarHBondContact O-NE2 3.32Å; L603-I656 WeakPolarHBondContact O-CG1 3.29Å; L603-E657 HydrophobicContact CB-CB 4.2Å; L603-E657 PolarHBondContact N-O 2.95Å; L603-E657 PolarHBondContact O-N 3.14Å; L603-E657 VanDerWaalsContact O-N 3.09Å; L603-V659 HydrophobicContact CD1-CG1 3.88Å; L603-V659 HydrophobicContact CD1-CG2 3.84Å; L603-V659 HydrophobicContact CD2-CG2 4.41Å; L603-V659 HydrophobicContact CG-CG2 4.12Å
604N98.1Very high93.5Very high0 Ų021.6 Ų21.60%015%0.15CC..SBendtrans-87.9-29.4168.2-174.153.8000111.3L499 D500 W502 T524 N525 M651L499-N604 WeakPolarHBondContact CD1-ND2 3.49Å; D500-N604 WeakPolarHBondContact CB-OD1 3.5Å; D500-N604 PolarHBondContact O-ND2 2.67Å; W502-N604 PolarHBondContact NE1-OD1 3.01Å; T524-N604 PolarHBondContact O-ND2 2.89Å; N525-N604 WeakPolarHBondContact O-CA 3.39Å; N525-N604 WeakPolarHBondContact O-CB 3.38Å; N525-N604 PolarHBondContact O-N 3.22Å; N604-M651 WeakPolarHBondContact O-CA 3.45Å; N604-M651 VanDerWaalsContact O-CB 3.28Å; N604-M651 WeakPolarHBondContact O-CB 3.49Å
605I97.7Very high94.1Very high0 Ų018.4 Ų18.40%012%0.118CC..SBendtrans-121.7151.7178.568.6170.4000112.4D465 L466 L499 N525 S607 Q649 M651D465-I605 HydrophobicContact CB-CD1 4.09Å; L466-I605 HydrophobicContact CB-CD1 4.3Å; L466-I605 HydrophobicContact CD1-CD1 4.47Å; L466-I605 HydrophobicContact CD1-CG2 4.27Å; L499-I605 HydrophobicContact CD1-CG2 3.81Å; N525-I605 HydrophobicContact CB-CD1 3.67Å; N525-I605 HydrophobicContact CB-CG1 3.93Å; N525-I605 PolarHBondContact O-N 3.02Å; N525-I605 WeakPolarHBondContact OD1-CD1 3.48Å; I605-S607 WeakPolarHBondContact CG1-O 3.47Å; I605-S607 PolarHBondContact O-N 3.14Å; I605-Q649 VanDerWaalsContact C-NE2 3.35Å; I605-Q649 PolarHBondContact O-NE2 3.4Å; I605-M651 HydrophobicContact CG2-CB 4.05Å; I605-M651 HydrophobicContact CG2-SD 4.36Å
606P94Very high94.3Very high40 Ų4016.1 Ų16.126%0.2610%0.103SC..SBendtrans-67.21.5176.4-21.328.7000117.7N613 Q649P606-N613 WeakPolarHBondContact O-CA 3.31Å; P606-N613 VanDerWaalsContact O-CB 3.25Å; P606-N613 WeakPolarHBondContact O-CB 3.44Å; P606-Q649 HydrophobicContact CG-CB 4.45Å; P606-Q649 HydrophobicContact CG-CG 3.84Å
607S94.7Very high93.8Very high6 Ų618.1 Ų18.14%0.04211%0.114CC..  trans-120.6124.5-176.6-170.50000110D465 C469 I605 G611 S612D465-S607 WeakPolarHBondContact CB-O 3.45Å; D465-S607 WeakPolarHBondContact O-CB 3.42Å; D465-S607 PolarHBondContact OD1-OG 3.19Å; C469-S607 WeakPolarHBondContact SG-CB 3.37Å; C469-S607 PolarHBondContact SG-N 3.07Å; C469-S607 VanDerWaalsContact SG-N 3.45Å; I605-S607 WeakPolarHBondContact CG1-O 3.47Å; I605-S607 PolarHBondContact O-N 3.14Å; S607-G611 VanDerWaalsContact OG-CA 3.23Å; S607-G611 WeakPolarHBondContact OG-CA 3.04Å; S607-G611 PolarHBondContact OG-N 3.19Å; S607-S612 WeakPolarHBondContact CA-O 3.1Å
608I94.4Very high92.7Very high1 Ų124.1 Ų24.11%0.00514%0.14CC..BIsolated β-bridgetrans-142152.4175.9-175.5162.1000109.7Y526 L603 G610 G611 S612 L614Y526-I608 HydrophobicContact CD1-CB 3.82Å; Y526-I608 HydrophobicContact CD1-CD1 3.73Å; Y526-I608 HydrophobicContact CD1-CG1 3.64Å; Y526-I608 HydrophobicContact CD2-CD1 3.53Å; Y526-I608 HydrophobicContact CD2-CG1 3.97Å; Y526-I608 HydrophobicContact CE1-CB 3.79Å; Y526-I608 HydrophobicContact CE1-CD1 4.08Å; Y526-I608 HydrophobicContact CE1-CG1 3.52Å; Y526-I608 HydrophobicContact CE2-CD1 3.88Å; Y526-I608 HydrophobicContact CE2-CG1 3.84Å; Y526-I608 HydrophobicContact CG-CB 4.44Å; Y526-I608 HydrophobicContact CG-CD1 3.44Å; Y526-I608 VanDerWaalsContact CG-CD1 3.44Å; Y526-I608 HydrophobicContact CG-CG1 3.87Å; L603-I608 HydrophobicContact CD2-CD1 3.66Å; L603-I608 HydrophobicContact CD2-CG2 4.49Å; I608-G610 VanDerWaalsContact C-N 3.29Å; I608-G610 PolarHBondContact O-N 3.18Å; I608-G611 PolarHBondContact O-N 3.38Å; I608-S612 WeakPolarHBondContact CG2-O 3.46Å; I608-S612 PolarHBondContact N-O 3.14Å; I608-S612 WeakPolarHBondContact O-CA 3.47Å; I608-S612 WeakPolarHBondContact O-CB 3.44Å; I608-S612 PolarHBondContact O-N 3.31Å; I608-S612 PolarHBondContact O-OG 3.21Å; I608-L614 HydrophobicContact CG2-CB 4.36Å; I608-L614 HydrophobicContact CG2-CD1 3.75Å; I608-L614 HydrophobicContact CG2-CG 3.59Å
609Y88.2Confident91.1Very high68 Ų6824.7 Ų24.727%0.26715%0.147SC..THydrogen-bonded Turntrans53.245179.4-42.3-41.3000113D465 Y526 D532 L614 M667D465-Y609 PolarHBondContact OD2-N 3.29Å; Y526-Y609 HydrophobicContact CE2-CE1 4.48Å; D532-Y609 HydrophobicContact CB-CE1 3.94Å; D532-Y609 HydrophobicContact CB-CE2 4.11Å; D532-Y609 VanDerWaalsContact CB-CZ 3.46Å; D532-Y609 WeakPolarHBondContact CB-OH 3.25Å; D532-Y609 PolarHBondContact OD2-OH 3.11Å; Y609-L614 HydrophobicContact CE2-CD1 3.89Å; Y609-M667 HydrophobicContact CD2-SD 4.12Å; Y609-M667 HydrophobicContact CE2-SD 3.48Å; Y609-M667 WeakPolarHBondContact CE2-SD 3.42Å
610G85.5Confident89.2Confident24 Ų2433 Ų3325%0.24718%0.183CC..THydrogen-bonded Turntrans72.140177.300000113.9D465 R468 I608 K671D465-G610 VanDerWaalsContact OD1-CA 3.26Å; D465-G610 WeakPolarHBondContact OD1-CA 3.28Å; D465-G610 PolarHBondContact OD1-N 3.43Å; D465-G610 PolarHBondContact OD2-N 3.27Å; D465-G610 VanDerWaalsContact OD2-N 3.09Å; R468-G610 PolarHBondContact NE-O 3.23Å; R468-G610 PolarHBondContact NH2-O 3.4Å; I608-G610 VanDerWaalsContact C-N 3.29Å; I608-G610 PolarHBondContact O-N 3.18Å; G610-K671 PolarHBondContact O-NZ 2.82Å
611G88.8Confident87.1Confident33 Ų3339.7 Ų39.734%0.3422%0.215SC..THydrogen-bonded Turntrans109.915.7170.200000116.7D465 R468 S607 I608 K671D465-G611 PolarHBondContact OD1-N 3.01Å; R468-G611 VanDerWaalsContact CD-CA 3.49Å; S607-G611 VanDerWaalsContact OG-CA 3.23Å; S607-G611 WeakPolarHBondContact OG-CA 3.04Å; S607-G611 PolarHBondContact OG-N 3.19Å; I608-G611 PolarHBondContact O-N 3.38Å; G611-K671 PolarHBondContact O-NZ 3.34Å
612S90.3Very high85Confident8 Ų843.5 Ų43.56%0.05624%0.241CC..BIsolated β-bridgetrans-82.9138174.4-51.90000108.7S607 I608 K671S607-S612 WeakPolarHBondContact CA-O 3.1Å; I608-S612 WeakPolarHBondContact CG2-O 3.46Å; I608-S612 PolarHBondContact N-O 3.14Å; I608-S612 WeakPolarHBondContact O-CA 3.47Å; I608-S612 WeakPolarHBondContact O-CB 3.44Å; I608-S612 PolarHBondContact O-N 3.31Å; I608-S612 PolarHBondContact O-OG 3.21Å; S612-K671 VanDerWaalsContact N-NZ 3.11Å; S612-K671 VanDerWaalsContact OG-CD 3.32Å; S612-K671 WeakPolarHBondContact OG-CD 3.45Å; S612-K671 PolarHBondContact OG-NZ 3.33Å; S612-K671 VanDerWaalsContact OG-NZ 3.16Å
613N93.9Very high82.8Confident46 Ų4651.6 Ų51.625%0.24627%0.272CS..  trans-108.392.2174-178-5.7000109.2P606 W615 G616 V670P606-N613 WeakPolarHBondContact O-CA 3.31Å; P606-N613 VanDerWaalsContact O-CB 3.25Å; P606-N613 WeakPolarHBondContact O-CB 3.44Å; N613-W615 VanDerWaalsContact C-N 3.33Å; N613-W615 PolarHBondContact OD1-N 2.99Å; N613-G616 PolarHBondContact O-N 2.89Å; N613-G616 PolarHBondContact OD1-N 3.32Å; N613-V670 VanDerWaalsContact O-CG1 3.27Å; N613-V670 WeakPolarHBondContact O-CG1 3.35Å
614L94.6Very high80.5Confident0 Ų056.5 Ų56.50%029%0.29CS..SBendtrans-72.6-26.2-178.2-62.6-175.2000112.8L603 I608 Y609 V659 I661 V670 S677 A678L603-L614 HydrophobicContact CD1-CB 4.01Å; I608-L614 HydrophobicContact CG2-CB 4.36Å; I608-L614 HydrophobicContact CG2-CD1 3.75Å; I608-L614 HydrophobicContact CG2-CG 3.59Å; Y609-L614 HydrophobicContact CE2-CD1 3.89Å; L614-V659 HydrophobicContact CB-CG2 4.17Å; L614-V659 HydrophobicContact CD1-CG2 4.28Å; L614-I661 HydrophobicContact CD1-CG1 4.49Å; L614-V670 HydrophobicContact CD2-CB 4.17Å; L614-V670 HydrophobicContact CD2-CG1 4.04Å; L614-V670 HydrophobicContact CD2-CG2 4.45Å; L614-S677 CarbonylContact O-C 3.56Å; L614-S677 WeakPolarHBondContact O-CA 3.21Å; L614-S677 WeakPolarHBondContact O-CB 3.02Å; L614-A678 HydrophobicContact CB-CB 4Å; L614-A678 HydrophobicContact CD2-CB 4.38Å; L614-A678 PolarHBondContact O-N 3.03Å
615W94.5Very high78.1Confident0 Ų064.6 Ų64.60%033%0.325CS..SBendtrans-69.7-38170.8-167.2-114.2000111.1L603 N613 L644 T647 Q649 E657 V659 S677 R680 A682 Q683L603-W615 HydrophobicContact CD1-CB 4.4Å; N613-W615 VanDerWaalsContact C-N 3.33Å; N613-W615 PolarHBondContact OD1-N 2.99Å; W615-L644 HydrophobicContact CH2-CD2 4.15Å; W615-T647 VanDerWaalsContact CZ2-OG1 3.29Å; W615-T647 WeakPolarHBondContact CZ2-OG1 3.48Å; W615-Q649 HydrophobicContact CG-CB 4.17Å; W615-E657 HydrophobicContact CD2-CB 3.84Å; W615-E657 HydrophobicContact CD2-CG 3.44Å; W615-E657 VanDerWaalsContact CD2-CG 3.44Å; W615-E657 VanDerWaalsContact CE2-CG 3.49Å; W615-E657 HydrophobicContact CE3-CB 3.47Å; W615-E657 VanDerWaalsContact CE3-CB 3.47Å; W615-E657 HydrophobicContact CE3-CG 3.61Å; W615-E657 HydrophobicContact CG-CB 4.45Å; W615-E657 HydrophobicContact CG-CG 3.94Å; W615-E657 HydrophobicContact CH2-CB 4.11Å; W615-E657 HydrophobicContact CH2-CG 3.85Å; W615-E657 HydrophobicContact CZ2-CB 4.42Å; W615-E657 HydrophobicContact CZ2-CG 3.69Å; W615-E657 HydrophobicContact CZ3-CB 3.63Å; W615-E657 HydrophobicContact CZ3-CG 3.82Å; W615-V659 HydrophobicContact CE3-CG1 3.55Å; W615-V659 HydrophobicContact CZ3-CG1 4.04Å; W615-S677 WeakPolarHBondContact O-CB 3.27Å; W615-R680 HydrophobicContact CD2-CG 4.11Å; W615-R680 HydrophobicContact CE3-CB 4.24Å; W615-R680 HydrophobicContact CE3-CG 3.76Å; W615-R680 HydrophobicContact CH2-CB 4.07Å; W615-R680 HydrophobicContact CH2-CG 4.24Å; W615-R680 HydrophobicContact CZ3-CB 3.79Å; W615-R680 HydrophobicContact CZ3-CG 3.83Å; W615-R680 PolarHBondContact O-NE 3.04Å; W615-R680 PolarHBondContact O-NH2 3.43Å; W615-A682 VanDerWaalsContact CH2-O 3.26Å; W615-A682 WeakPolarHBondContact CH2-O 3.31Å; W615-A682 WeakPolarHBondContact CZ3-O 3.25Å; W615-Q683 HydrophobicContact CH2-CB 4.26Å; W615-Q683 HydrophobicContact CZ2-CB 4.37Å
616G90.2Very high76Confident9 Ų973.9 Ų73.99%0.09336%0.36CS..  trans85.1172.6-176.300000113.5N613 T676 R680N613-G616 PolarHBondContact O-N 2.89Å; N613-G616 PolarHBondContact OD1-N 3.32Å; G616-T676 WeakPolarHBondContact CA-O 3.41Å; G616-R680 PolarHBondContact O-NH2 2.78Å
617T83.5Confident73.7Confident110 Ų11076.7 Ų76.768%0.67537%0.37SS*.PPolyproline II helixtrans-95.1161.6-179.256.90000112.5
618K71.5Confident71.5Confident126 Ų12680.3 Ų80.355%0.54839%0.394SS..PPolyproline II helixtrans-49136.1170.6-69.1-168.6179-179.60110.9K620 V648K618-K620 PolarHBondContact O-N 3.21Å; K618-V648 HydrophobicContact CB-CG2 4.36Å; K618-V648 HydrophobicContact CD-CG2 3.58Å; K618-V648 HydrophobicContact CG-CB 4.46Å; K618-V648 HydrophobicContact CG-CG2 3.03Å
619P62.5Low69.2Low47 Ų4787.4 Ų87.431%0.30543%0.431SS..PPolyproline II helixtrans-58.8136.9162.6-18.129.9000110R623P619-R623 HydrophobicContact CB-CB 4.38Å
620K58.2Low67.2Low173 Ų17395 Ų9575%0.75246%0.46SS*.PPolyproline II helixtrans-54.1142.4171.9-72-177.1176179.30110K618 S622 R623K618-K620 PolarHBondContact O-N 3.21Å; K620-S622 PolarHBondContact O-N 3.15Å; K620-R623 PolarHBondContact O-N 2.99Å
621E54.5Low64.9Low142 Ų142101.2 Ų101.266%0.66448%0.484SS*.Hα-helixtrans-51.5-27.9-176.8-73.1-178153.800114.7R623 R624E621-R623 PolarHBondContact O-N 2.99Å; E621-R624 WeakPolarHBondContact O-CB 3.46Å; E621-R624 PolarHBondContact O-N 3.2Å; E621-R624 IonicContact OE1-NH1 3.6Å
622S52.8Low62.5Low79 Ų79104.2 Ų104.255%0.55250%0.5SS*.Hα-helixtrans-61.9-23.1175610000113.9K620K620-S622 PolarHBondContact O-N 3.15Å
623R53.8Low60.4Low171 Ų171109.4 Ų109.465%0.64554%0.543SS*.Hα-helixtrans-87.7-22.2171.8-74.5-174.9175.8168.6-1.5113.3P619 K620 E621 R626 H627P619-R623 HydrophobicContact CB-CB 4.38Å; K620-R623 PolarHBondContact O-N 2.99Å; E621-R623 PolarHBondContact O-N 2.99Å; R623-R626 PolarHBondContact O-N 2.76Å; R623-H627 PolarHBondContact O-N 3.04Å
624R48.4Very low57.9Low103 Ų103112.4 Ų112.439%0.38957%0.567SS.*Hα-helixtrans-58.3-50175.2-91.5174.3152.7172.4-6.7111.2E621 R626 H627 C628 M646E621-R624 WeakPolarHBondContact O-CB 3.46Å; E621-R624 PolarHBondContact O-N 3.2Å; E621-R624 IonicContact OE1-NH1 3.6Å; R624-R626 VanDerWaalsContact C-N 3.31Å; R624-R626 PolarHBondContact O-N 3.4Å; R624-H627 PolarHBondContact O-N 3.14Å; R624-C628 PolarHBondContact O-N 3.49Å; R624-C628 PolarHBondContact O-SG 2.74Å; R624-M646 HydrophobicContact CG-CE 3.47Å; R624-M646 VanDerWaalsContact CG-CE 3.47Å; R624-M646 HydrophobicContact CG-SD 4.31Å
625K49.1Very low55.2Low171 Ų171116.6 Ų116.674%0.74359%0.59SS**Hα-helixtrans-60.2-38.6-178.2-74.8-175.2177.5179.70112.6L629K625-L629 VanDerWaalsContact O-CD1 3.24Å; K625-L629 WeakPolarHBondContact O-CD1 3.22Å; K625-L629 WeakPolarHBondContact O-CG 3.34Å
626R51.9Low52.7Low194 Ų194124.8 Ų124.873%0.73263%0.628SS**Hα-helixtrans-74.5-29.6-178.9-74.7-171.3179.9117-4.3114.2R623 R624R623-R626 PolarHBondContact O-N 2.76Å; R624-R626 VanDerWaalsContact C-N 3.31Å; R624-R626 PolarHBondContact O-N 3.4Å
627H47.4Very low50.6Low99 Ų99128.4 Ų128.446%0.45865%0.652SS.*Hα-helixtrans-86.6-33-175.3-142.2-73.9000112.5R623 R624 L629R623-H627 PolarHBondContact O-N 3.04Å; R624-H627 PolarHBondContact O-N 3.14Å; H627-L629 VanDerWaalsContact C-N 3.34Å
628C47Very low48.3Very low82 Ų82128.7 Ų128.755%0.55464%0.644SS**Hα-helixtrans-72.4-25.3174.7-59.90000113R624 R630 M631R624-C628 PolarHBondContact O-N 3.49Å; R624-C628 PolarHBondContact O-SG 2.74Å; C628-R630 PolarHBondContact O-N 3.41Å; C628-M631 WeakPolarHBondContact O-CG 3.35Å
629L47.3Very low46.9Very low151 Ų151126 Ų12679%0.79164%0.641SS**THydrogen-bonded Turntrans-71.5-8.7179.1-84.8164.6000114.3K625 H627K625-L629 VanDerWaalsContact O-CD1 3.24Å; K625-L629 WeakPolarHBondContact O-CD1 3.22Å; K625-L629 WeakPolarHBondContact O-CG 3.34Å; H627-L629 VanDerWaalsContact C-N 3.34Å
630R45.3Very low46.3Very low228 Ų228127.5 Ų127.586%0.8665%0.649SS**THydrogen-bonded Turntrans-113.526-173.3-140176.4-179.7158.70.2113.3C628C628-R630 PolarHBondContact O-N 3.41Å
631M38.3Very low46.3Very low153 Ų153121.6 Ų121.675%0.75463%0.63SS**  trans-83.3116.4-177.8-68.9-176.468.800111.8C628C628-M631 WeakPolarHBondContact O-CG 3.35Å
632S37.9Very low46.5Very low97 Ų97116.5 Ų116.568%0.67861%0.61SS**  trans-108.1130156.1540000108.5S634S632-S634 VanDerWaalsContact C-N 3.29Å; S632-S634 PolarHBondContact O-N 3.49Å; S632-S634 VanDerWaalsContact O-N 3.17Å
633A45.9Very low47.4Very low116 Ų116119.1 Ų119.196%0.95961%0.613SS**SBendtrans-82.222.8-166.200000116.1
634S41.6Very low48.8Very low109 Ų109112.4 Ų112.476%0.76259%0.59SS**  trans-110.122.1-168.753.40000116.1S632S632-S634 VanDerWaalsContact C-N 3.29Å; S632-S634 PolarHBondContact O-N 3.49Å; S632-S634 VanDerWaalsContact O-N 3.17Å
635D37.3Very low50.1Low88 Ų88111.7 Ų111.747%0.47159%0.59SS.*  trans-143.695.7177.3-154.9-13.3000111.5S637 F638 S639D635-S637 PolarHBondContact O-N 3.41Å; D635-S637 PolarHBondContact OD1-OG 3.05Å; D635-F638 HydrophobicContact CB-CB 3.78Å; D635-F638 PolarHBondContact O-N 3.43Å; D635-S639 PolarHBondContact O-N 2.88Å
636E43.1Very low51.5Low173 Ų173106.7 Ų106.781%0.80857%0.57SS**Hα-helixtrans-52.9-34176.8-80.1-79.9137.300111.8F638E636-F638 VanDerWaalsContact C-N 3.34Å; E636-F638 PolarHBondContact O-N 3.49Å
637S45.4Very low53.1Low84 Ų8498.9 Ų98.959%0.58754%0.543SS*.Hα-helixtrans-72.4-25.617778.40000113.3D635 T640D635-S637 PolarHBondContact O-N 3.41Å; D635-S637 PolarHBondContact OD1-OG 3.05Å; S637-T640 PolarHBondContact O-OG1 3.09Å
638F35.5Very low55.1Low117 Ų11797 Ų9751%0.51354%0.539SS..Hα-helixtrans-89.9-28-180-162.4-102.2000112.6D635 E636 S641 C642D635-F638 HydrophobicContact CB-CB 3.78Å; D635-F638 PolarHBondContact O-N 3.43Å; E636-F638 VanDerWaalsContact C-N 3.34Å; E636-F638 PolarHBondContact O-N 3.49Å; F638-S641 PolarHBondContact O-N 3.43Å; F638-C642 PolarHBondContact O-N 3.31Å
639S41.2Very low57.2Low68 Ų6893.9 Ų93.948%0.47652%0.516SS..Hα-helixtrans-58.8-48.2176.6-171.60000111.9D635 S641 C642 E643D635-S639 PolarHBondContact O-N 2.88Å; S639-S641 PolarHBondContact O-N 3.2Å; S639-C642 PolarHBondContact O-N 3.02Å; S639-E643 PolarHBondContact O-N 3.28Å; S639-E643 VanDerWaalsContact O-N 3.17Å
640T51Low59.4Low79 Ų7990.9 Ų90.949%0.48550%0.501SS..Hα-helixtrans-62.9-36.1178.552.80000113.2S637 E643 L644S637-T640 PolarHBondContact O-OG1 3.09Å; T640-E643 PolarHBondContact O-N 3.49Å; T640-L644 WeakPolarHBondContact O-CG 3.27Å; T640-L644 PolarHBondContact O-N 3.04Å
641S58.6Low61.9Low49 Ų4980.8 Ų80.834%0.34346%0.464SS..Hα-helixtrans-67-37.3177.5-169.10000112.9F638 S639 K645F638-S641 PolarHBondContact O-N 3.43Å; S639-S641 PolarHBondContact O-N 3.2Å; S641-K645 WeakPolarHBondContact O-CG 3.38Å; S641-K645 PolarHBondContact O-N 3.42Å
642C57.3Low64.6Low36 Ų3674.2 Ų74.224%0.24344%0.435CS..Hα-helixtrans-69.4-40175.9-79.20000111.7F638 S639 K645F638-C642 PolarHBondContact O-N 3.31Å; S639-C642 PolarHBondContact O-N 3.02Å; C642-K645 PolarHBondContact O-N 3.16Å
643E72.7Confident67.4Low134 Ų13472.4 Ų72.463%0.62642%0.418SS*.Hα-helixtrans-62.7-47.8177.2-166.9168.4-165.400111.5S639 T640 K645 M646 T647S639-E643 PolarHBondContact O-N 3.28Å; S639-E643 VanDerWaalsContact O-N 3.17Å; T640-E643 PolarHBondContact O-N 3.49Å; E643-K645 PolarHBondContact O-N 3.39Å; E643-M646 WeakPolarHBondContact O-CB 3.43Å; E643-M646 PolarHBondContact O-N 3.13Å; E643-T647 PolarHBondContact O-N 2.97Å
644L82.3Confident69.9Low29 Ų2971.8 Ų71.815%0.15239%0.393CS..Hα-helixtrans-62.6-24.8176.7-71.6172.8000114.1W615 T640 M646 T647 R680 L681W615-L644 HydrophobicContact CH2-CD2 4.15Å; T640-L644 WeakPolarHBondContact O-CG 3.27Å; T640-L644 PolarHBondContact O-N 3.04Å; L644-M646 VanDerWaalsContact C-N 3.25Å; L644-M646 PolarHBondContact O-N 3.43Å; L644-T647 PolarHBondContact O-OG1 3.48Å; L644-R680 HydrophobicContact CB-CB 4.45Å; L644-R680 WeakPolarHBondContact O-CD 3.49Å; L644-R680 PolarHBondContact O-NH1 3.34Å; L644-L681 WeakPolarHBondContact CD1-O 3.46Å
645K76.8Confident72.6Confident89 Ų8969.7 Ų69.739%0.38737%0.371SS..Hα-helixtrans-72.4-22174-76.2169.4-175.4169.90112.4S641 C642 E643 R680S641-K645 WeakPolarHBondContact O-CG 3.38Å; S641-K645 PolarHBondContact O-N 3.42Å; C642-K645 PolarHBondContact O-N 3.16Å; E643-K645 PolarHBondContact O-N 3.39Å; K645-R680 PolarHBondContact O-NH1 2.82Å
646M78.5Confident75.5Confident66 Ų6665.5 Ų65.533%0.32535%0.348SS..Hα-helixtrans-96.4-18.5-176.5-65.9-51.1-52.300113.6R624 E643 L644R624-M646 HydrophobicContact CG-CE 3.47Å; R624-M646 VanDerWaalsContact CG-CE 3.47Å; R624-M646 HydrophobicContact CG-SD 4.31Å; E643-M646 WeakPolarHBondContact O-CB 3.43Å; E643-M646 PolarHBondContact O-N 3.13Å; L644-M646 VanDerWaalsContact C-N 3.25Å; L644-M646 PolarHBondContact O-N 3.43Å
647T85.7Confident78Confident29 Ų2957.2 Ų57.218%0.17831%0.31CS..  trans-67.3154.9176.756.10000112.5W615 E643 L644 R680W615-T647 VanDerWaalsContact CZ2-OG1 3.29Å; W615-T647 WeakPolarHBondContact CZ2-OG1 3.48Å; E643-T647 PolarHBondContact O-N 2.97Å; L644-T647 PolarHBondContact O-OG1 3.48Å; T647-R680 PolarHBondContact O-NH1 2.91Å
648V88.1Confident80.5Confident59 Ų5953.2 Ų53.236%0.35828%0.282SS..  trans-127.5137.2173.8163.30000110.2K618 Q683K618-V648 HydrophobicContact CB-CG2 4.36Å; K618-V648 HydrophobicContact CD-CG2 3.58Å; K618-V648 HydrophobicContact CG-CB 4.46Å; K618-V648 HydrophobicContact CG-CG2 3.03Å; V648-Q683 PolarHBondContact O-NE2 3.49Å
649Q92.5Very high83.4Confident17 Ų1747.7 Ų47.78%0.07926%0.257CS..  trans-70127.2170.2177.6164.242.800110.5L603 I605 P606 W615 E657L603-Q649 PolarHBondContact O-NE2 3.32Å; I605-Q649 VanDerWaalsContact C-NE2 3.35Å; I605-Q649 PolarHBondContact O-NE2 3.4Å; P606-Q649 HydrophobicContact CG-CB 4.45Å; P606-Q649 HydrophobicContact CG-CG 3.84Å; W615-Q649 HydrophobicContact CG-CB 4.17Å; Q649-E657 WeakPolarHBondContact CA-OE1 3.18Å; Q649-E657 HydrophobicContact CB-CG 4.08Å; Q649-E657 VanDerWaalsContact CD-OE2 3.26Å; Q649-E657 HydrophobicContact CG-CG 4.21Å; Q649-E657 WeakPolarHBondContact CG-OE2 3.42Å; Q649-E657 PolarHBondContact NE2-OE2 3.38Å
650D93.6Very high86Confident89 Ų8944.4 Ų44.448%0.47624%0.235SC..  trans-128.9134.8168.4-167.1-23.7000106.8G652 D653D650-G652 PolarHBondContact O-N 3.1Å; D650-G652 PolarHBondContact OD1-N 2.82Å; D650-D653 HydrophobicContact CB-CB 4.05Å; D650-D653 VanDerWaalsContact O-OD1 3.13Å
651M95.9Very high88.1Confident16 Ų1640.7 Ų40.78%0.07921%0.212CC..THydrogen-bonded Turntrans-84.56.9-17466.9-164.7170.700112.9C469 L470 V497 L499 D500 N604 I605C469-M651 HydrophobicContact CB-SD 4.43Å; L470-M651 HydrophobicContact CD2-CE 3.9Å; V497-M651 HydrophobicContact CB-CE 4.08Å; V497-M651 HydrophobicContact CG2-CE 3.48Å; V497-M651 VanDerWaalsContact CG2-CE 3.48Å; L499-M651 CarbonylContact C-O 3.55Å; L499-M651 VanDerWaalsContact CA-O 3.31Å; L499-M651 WeakPolarHBondContact CA-O 3.49Å; L499-M651 HydrophobicContact CD1-CB 3.97Å; L499-M651 HydrophobicContact CD1-CG 4.09Å; L499-M651 HydrophobicContact CD1-SD 4.24Å; D500-M651 PolarHBondContact N-O 3.29Å; N604-M651 WeakPolarHBondContact O-CA 3.45Å; N604-M651 VanDerWaalsContact O-CB 3.28Å; N604-M651 WeakPolarHBondContact O-CB 3.49Å; I605-M651 HydrophobicContact CG2-CB 4.05Å; I605-M651 HydrophobicContact CG2-SD 4.36Å
652G96.6Very high89.8Confident15 Ų1540.2 Ų40.216%0.15520%0.204CC..THydrogen-bonded Turntrans-136.315.7-176.900000114.3D500 D650 Q718D500-G652 WeakPolarHBondContact OD2-CA 3.4Å; D500-G652 PolarHBondContact OD2-N 3.38Å; D650-G652 PolarHBondContact O-N 3.1Å; D650-G652 PolarHBondContact OD1-N 2.82Å; G652-Q718 PolarHBondContact O-NE2 3.36Å
653D96.7Very high91.3Very high59 Ų5940 Ų4032%0.31620%0.203SC..SBendtrans-93.43.2-178.369.9-2.6000113.7D500 D650 K655D500-D653 PolarHBondContact OD2-N 3.13Å; D650-D653 HydrophobicContact CB-CB 4.05Å; D650-D653 VanDerWaalsContact O-OD1 3.13Å; D653-K655 PolarHBondContact O-N 2.99Å; D653-K655 WeakPolarHBondContact OD1-CA 3.39Å; D653-K655 VanDerWaalsContact OD1-CB 3.26Å; D653-K655 WeakPolarHBondContact OD1-CB 3.21Å; D653-K655 PolarHBondContact OD1-N 3.12Å
654K97.7Very high92Very high102 Ų10234.3 Ų34.344%0.44318%0.177SC..SBendtrans6031.1-175-52.2179.8179.31770112.6D500 W502 S685D500-K654 VanDerWaalsContact OD2-CA 3.29Å; D500-K654 WeakPolarHBondContact OD2-CA 3.33Å; D500-K654 PolarHBondContact OD2-N 2.94Å; W502-K654 WeakPolarHBondContact CH2-O 3.38Å; K654-S685 PolarHBondContact O-OG 3.25Å
655K97.6Very high92.1Very high65 Ų6538.3 Ų38.328%0.28320%0.197SC..  trans-120151169.3-61-68.4-178.7-175.90110.5W502 D585 D653 Q683 C684 S685W502-K655 WeakPolarHBondContact CZ2-O 3.31Å; D585-K655 IonicContact OD2-NZ 2.84Å; D653-K655 PolarHBondContact O-N 2.99Å; D653-K655 WeakPolarHBondContact OD1-CA 3.39Å; D653-K655 VanDerWaalsContact OD1-CB 3.26Å; D653-K655 WeakPolarHBondContact OD1-CB 3.21Å; D653-K655 PolarHBondContact OD1-N 3.12Å; K655-Q683 HydrophobicContact CB-CG 3.66Å; K655-Q683 HydrophobicContact CG-CG 4.18Å; K655-C684 CarbonylContact C-O 3.49Å; K655-C684 VanDerWaalsContact CA-O 3.24Å; K655-C684 WeakPolarHBondContact CA-O 3.46Å; K655-S685 VanDerWaalsContact CD-OG 3.31Å; K655-S685 WeakPolarHBondContact CD-OG 3.22Å; K655-S685 VanDerWaalsContact CE-OG 3.25Å; K655-S685 WeakPolarHBondContact CE-OG 3.31Å; K655-S685 PolarHBondContact NZ-OG 3.21Å
656I98Very high92.5Very high0 Ų034.3 Ų34.30%018%0.181CC..EExtended strand (participates in β ladder)trans-122.1134.2174.7-162.5164.1000109.3W502 F602 L603 Q683 C684 I713W502-I656 HydrophobicContact CD2-CB 4.28Å; W502-I656 HydrophobicContact CD2-CD1 3.97Å; W502-I656 HydrophobicContact CE3-CB 4.48Å; W502-I656 HydrophobicContact CG-CD1 3.98Å; W502-I656 HydrophobicContact CH2-CB 3.94Å; W502-I656 HydrophobicContact CH2-CG2 4.18Å; W502-I656 HydrophobicContact CZ2-CB 3.73Å; W502-I656 HydrophobicContact CZ2-CG2 4.47Å; W502-I656 HydrophobicContact CZ3-CB 4.3Å; W502-I656 HydrophobicContact CZ3-CG2 4.2Å; F602-I656 HydrophobicContact CB-CD1 3.71Å; F602-I656 HydrophobicContact CB-CG1 4.09Å; F602-I656 HydrophobicContact CD1-CD1 4.48Å; F602-I656 HydrophobicContact CD1-CG2 4.27Å; L603-I656 WeakPolarHBondContact O-CG1 3.29Å; I656-Q683 WeakPolarHBondContact O-CA 3.4Å; I656-C684 PolarHBondContact N-O 2.96Å; I656-C684 PolarHBondContact O-N 3.35Å; I656-C684 VanDerWaalsContact O-N 3.1Å; I656-I713 HydrophobicContact CD1-CG2 4.29Å
657E97.3Very high92.9Very high0 Ų032 Ų320%017%0.17CC..EExtended strand (participates in β ladder)trans-87.7126.7-179.4-74.471.8-147.600111.4F602 L603 W615 Q649 Q683F602-E657 CarbonylContact C-O 3.56Å; F602-E657 WeakPolarHBondContact CA-O 3.47Å; L603-E657 HydrophobicContact CB-CB 4.2Å; L603-E657 PolarHBondContact N-O 2.95Å; L603-E657 PolarHBondContact O-N 3.14Å; L603-E657 VanDerWaalsContact O-N 3.09Å; W615-E657 HydrophobicContact CD2-CB 3.84Å; W615-E657 HydrophobicContact CD2-CG 3.44Å; W615-E657 VanDerWaalsContact CD2-CG 3.44Å; W615-E657 VanDerWaalsContact CE2-CG 3.49Å; W615-E657 HydrophobicContact CE3-CB 3.47Å; W615-E657 VanDerWaalsContact CE3-CB 3.47Å; W615-E657 HydrophobicContact CE3-CG 3.61Å; W615-E657 HydrophobicContact CG-CB 4.45Å; W615-E657 HydrophobicContact CG-CG 3.94Å; W615-E657 HydrophobicContact CH2-CB 4.11Å; W615-E657 HydrophobicContact CH2-CG 3.85Å; W615-E657 HydrophobicContact CZ2-CB 4.42Å; W615-E657 HydrophobicContact CZ2-CG 3.69Å; W615-E657 HydrophobicContact CZ3-CB 3.63Å; W615-E657 HydrophobicContact CZ3-CG 3.82Å; Q649-E657 WeakPolarHBondContact CA-OE1 3.18Å; Q649-E657 HydrophobicContact CB-CG 4.08Å; Q649-E657 VanDerWaalsContact CD-OE2 3.26Å; Q649-E657 HydrophobicContact CG-CG 4.21Å; Q649-E657 WeakPolarHBondContact CG-OE2 3.42Å; Q649-E657 PolarHBondContact NE2-OE2 3.38Å; E657-Q683 PolarHBondContact OE1-NE2 3.12Å
658V97.5Very high92.5Very high0 Ų032.6 Ų32.60%018%0.181CC..EExtended strand (participates in β ladder)trans-102.4121.2177.6-166.60000109.3L589 V600 A601 F602 L681 A682L589-V658 HydrophobicContact CD1-CG1 4.34Å; V600-V658 HydrophobicContact CG1-CG1 3.84Å; A601-V658 WeakPolarHBondContact O-CA 3.46Å; F602-V658 HydrophobicContact CD1-CG1 4.4Å; F602-V658 HydrophobicContact CD1-CG2 3.66Å; F602-V658 HydrophobicContact CE1-CB 4.34Å; F602-V658 HydrophobicContact CE1-CG1 3.97Å; F602-V658 HydrophobicContact CE1-CG2 3.46Å; F602-V658 VanDerWaalsContact CE1-CG2 3.46Å; F602-V658 HydrophobicContact CE2-CG1 4.31Å; F602-V658 HydrophobicContact CZ-CG1 3.92Å; F602-V658 HydrophobicContact CZ-CG2 4.25Å; V658-L681 HydrophobicContact CB-CB 4.26Å; V658-L681 HydrophobicContact CG1-CB 4.15Å; V658-L681 HydrophobicContact CG1-CD1 4.19Å; V658-L681 WeakPolarHBondContact O-CB 3.31Å; V658-L681 PolarHBondContact O-N 3.5Å; V658-A682 HydrophobicContact CB-CB 4.11Å; V658-A682 HydrophobicContact CG2-CB 4.05Å; V658-A682 PolarHBondContact N-O 3.18Å; V658-A682 PolarHBondContact O-N 2.82Å
659V95.8Very high92.3Very high0 Ų033.3 Ų33.30%018%0.181CC..EExtended strand (participates in β ladder)trans-121.8139.7177.6-610000112.2V600 A601 L603 L614 W615 A678 K679V600-V659 WeakPolarHBondContact CA-O 3.43Å; A601-V659 HydrophobicContact CB-CG2 3.8Å; A601-V659 PolarHBondContact N-O 3.11Å; A601-V659 PolarHBondContact O-N 3.41Å; L603-V659 HydrophobicContact CD1-CG1 3.88Å; L603-V659 HydrophobicContact CD1-CG2 3.84Å; L603-V659 HydrophobicContact CD2-CG2 4.41Å; L603-V659 HydrophobicContact CG-CG2 4.12Å; L614-V659 HydrophobicContact CB-CG2 4.17Å; L614-V659 HydrophobicContact CD1-CG2 4.28Å; W615-V659 HydrophobicContact CE3-CG1 3.55Å; W615-V659 HydrophobicContact CZ3-CG1 4.04Å; V659-A678 HydrophobicContact CB-CB 4.16Å; V659-K679 CarbonylContact C-O 3.57Å; V659-K679 VanDerWaalsContact CA-O 3.28Å; V659-K679 WeakPolarHBondContact CA-O 3.3Å
660G96Very high91.9Very high0 Ų033.2 Ų33.20%018%0.181CC..EExtended strand (participates in β ladder)trans-91.2127.7169.700000111K679G660-K679 PolarHBondContact N-O 3.36Å; G660-K679 PolarHBondContact O-N 2.82Å
661I95.7Very high91.3Very high0 Ų033.5 Ų33.50%018%0.178CC..EExtended strand (participates in β ladder)trans-95.5113.3174.7-63.1164.7000107.6V531 D532 L597 E598 G599 A601 L614 M667V531-I661 HydrophobicContact CG1-CG2 3.79Å; D532-I661 HydrophobicContact CB-CD1 4.23Å; D532-I661 WeakPolarHBondContact OD1-CD1 3.02Å; L597-I661 CarbonylContact C-O 3.59Å; L597-I661 WeakPolarHBondContact CA-O 3.03Å; E598-I661 PolarHBondContact N-O 3.05Å; G599-I661 PolarHBondContact N-O 3.41Å; G599-I661 VanDerWaalsContact N-O 3.12Å; G599-I661 PolarHBondContact O-N 3.25Å; A601-I661 HydrophobicContact CB-CD1 4.23Å; L614-I661 HydrophobicContact CD1-CG1 4.49Å; I661-M667 HydrophobicContact CD1-SD 3.89Å; I661-M667 HydrophobicContact CG1-CG 4.45Å; I661-M667 HydrophobicContact CG1-SD 4.16Å; I661-M667 HydrophobicContact CG2-CE 4.08Å; I661-M667 HydrophobicContact CG2-CG 3.64Å; I661-M667 HydrophobicContact CG2-SD 3.62Å
662Q93.4Very high90.2Very high40 Ų4036.1 Ų36.119%0.18720%0.202CC..  trans-79.7-35.5-179.2-72.3166.5-63.500112S595 L597 E598S595-Q662 VanDerWaalsContact CB-NE2 3.28Å; S595-Q662 PolarHBondContact OG-NE2 2.64Å; L597-Q662 HydrophobicContact CD2-CG 3.83Å; E598-Q662 WeakPolarHBondContact CG-O 3.44Å
663S88.8Confident89.4Confident30 Ų3038.3 Ų38.321%0.2123%0.225CC..  trans-168.7166.2174.764.60000112E598 I665 S666 M667E598-S663 VanDerWaalsContact OE2-CA 3.28Å; E598-S663 WeakPolarHBondContact OE2-CA 3.16Å; S663-I665 PolarHBondContact O-N 3.48Å; S663-I665 PolarHBondContact OG-N 3.22Å; S663-S666 PolarHBondContact N-OG 2.98Å; S663-S666 VanDerWaalsContact N-OG 3.08Å; S663-S666 WeakPolarHBondContact O-CB 3.22Å; S663-S666 PolarHBondContact O-N 3.24Å; S663-S666 VanDerWaalsContact O-N 3.07Å; S663-S666 PolarHBondContact O-OG 2.82Å; S663-S666 PolarHBondContact OG-N 3.08Å; S663-S666 VanDerWaalsContact OG-N 3.11Å; S663-M667 PolarHBondContact O-N 2.86Å; S663-M667 VanDerWaalsContact O-N 3.15Å
664V88.3Confident88.4Confident16 Ų1642.3 Ų42.310%0.09725%0.245CC..Hα-helixtrans-54.8-40.8169.5-178.40000112V531 I535 A564 S568 S666 M667 G668V531-V664 HydrophobicContact CG1-CG2 4.42Å; V531-V664 HydrophobicContact CG2-CG2 3.47Å; V531-V664 VanDerWaalsContact CG2-CG2 3.47Å; I535-V664 HydrophobicContact CD1-CG1 4.38Å; I535-V664 HydrophobicContact CD1-CG2 3.95Å; A564-V664 HydrophobicContact CB-CG1 3.86Å; S568-V664 VanDerWaalsContact OG-CB 3.25Å; S568-V664 WeakPolarHBondContact OG-CB 3.26Å; S568-V664 WeakPolarHBondContact OG-CG1 3.42Å; V664-S666 VanDerWaalsContact C-N 3.32Å; V664-S666 PolarHBondContact O-N 3.03Å; V664-M667 HydrophobicContact CB-CE 4.24Å; V664-M667 HydrophobicContact CG1-CE 4.39Å; V664-M667 HydrophobicContact CG2-CE 4.1Å; V664-M667 WeakPolarHBondContact O-CB 3.43Å; V664-M667 PolarHBondContact O-N 3.21Å; V664-G668 PolarHBondContact O-N 3.26Å
665I84.2Confident87.8Confident112 Ų11240.7 Ų40.757%0.57424%0.237SC*.Hα-helixtrans-61.4-42.3177.1-61.8169000110.4S663 M667 G668 Q669S663-I665 PolarHBondContact O-N 3.48Å; S663-I665 PolarHBondContact OG-N 3.22Å; I665-M667 VanDerWaalsContact C-N 3.29Å; I665-M667 PolarHBondContact O-N 3.42Å; I665-G668 PolarHBondContact O-N 2.89Å; I665-G668 VanDerWaalsContact O-N 3.15Å; I665-Q669 HydrophobicContact CG2-CG 4.48Å; I665-Q669 WeakPolarHBondContact O-CG 3.21Å; I665-Q669 PolarHBondContact O-N 3.09Å
666S85.7Confident87.2Confident6 Ų642.7 Ų42.74%0.04226%0.255CS..Hα-helixtrans-61.9-37.6177.479.90000112.1S663 V664 Q669 V670S663-S666 PolarHBondContact N-OG 2.98Å; S663-S666 VanDerWaalsContact N-OG 3.08Å; S663-S666 WeakPolarHBondContact O-CB 3.22Å; S663-S666 PolarHBondContact O-N 3.24Å; S663-S666 VanDerWaalsContact O-N 3.07Å; S663-S666 PolarHBondContact O-OG 2.82Å; S663-S666 PolarHBondContact OG-N 3.08Å; S663-S666 VanDerWaalsContact OG-N 3.11Å; V664-S666 VanDerWaalsContact C-N 3.32Å; V664-S666 PolarHBondContact O-N 3.03Å; S666-Q669 PolarHBondContact O-N 3.45Å; S666-V670 WeakPolarHBondContact O-CG2 3.45Å; S666-V670 PolarHBondContact O-N 3.44Å
667M86.2Confident86.9Confident18 Ų1843.6 Ų43.69%0.08926%0.261CS..Hα-helixtrans-65.8-43.4173.6-60.4-168.8-74.100111.2V531 D532 Y609 I661 S663 V664 I665 Q669 V670 K671V531-M667 HydrophobicContact CG1-CE 4.09Å; D532-M667 HydrophobicContact CB-CE 4.1Å; D532-M667 HydrophobicContact CB-SD 4.12Å; Y609-M667 HydrophobicContact CD2-SD 4.12Å; Y609-M667 HydrophobicContact CE2-SD 3.48Å; Y609-M667 WeakPolarHBondContact CE2-SD 3.42Å; I661-M667 HydrophobicContact CD1-SD 3.89Å; I661-M667 HydrophobicContact CG1-CG 4.45Å; I661-M667 HydrophobicContact CG1-SD 4.16Å; I661-M667 HydrophobicContact CG2-CE 4.08Å; I661-M667 HydrophobicContact CG2-CG 3.64Å; I661-M667 HydrophobicContact CG2-SD 3.62Å; S663-M667 PolarHBondContact O-N 2.86Å; S663-M667 VanDerWaalsContact O-N 3.15Å; V664-M667 HydrophobicContact CB-CE 4.24Å; V664-M667 HydrophobicContact CG1-CE 4.39Å; V664-M667 HydrophobicContact CG2-CE 4.1Å; V664-M667 WeakPolarHBondContact O-CB 3.43Å; V664-M667 PolarHBondContact O-N 3.21Å; I665-M667 VanDerWaalsContact C-N 3.29Å; I665-M667 PolarHBondContact O-N 3.42Å; M667-Q669 VanDerWaalsContact C-N 3.33Å; M667-Q669 PolarHBondContact O-N 3.5Å; M667-V670 PolarHBondContact O-N 3.29Å; M667-K671 PolarHBondContact O-N 2.66Å
668G77.6Confident86.6Confident40 Ų4043.8 Ų43.841%0.41226%0.262SS..Hα-helixtrans-59.3-40.6175.100000113V664 I665 V670 K671 A672V664-G668 PolarHBondContact O-N 3.26Å; I665-G668 PolarHBondContact O-N 2.89Å; I665-G668 VanDerWaalsContact O-N 3.15Å; G668-V670 PolarHBondContact O-N 3.46Å; G668-K671 WeakPolarHBondContact O-CB 3.17Å; G668-K671 PolarHBondContact O-N 3.16Å; G668-A672 WeakPolarHBondContact O-CB 3.5Å; G668-A672 PolarHBondContact O-N 3.36Å
669Q83.4Confident86.4Confident75 Ų7545.9 Ų45.935%0.3527%0.272SS..Hα-helixtrans-63.8-38.9175.6-73173.6-16.800112.6I665 S666 M667 A672 G673 L674 R675I665-Q669 HydrophobicContact CG2-CG 4.48Å; I665-Q669 WeakPolarHBondContact O-CG 3.21Å; I665-Q669 PolarHBondContact O-N 3.09Å; S666-Q669 PolarHBondContact O-N 3.45Å; M667-Q669 VanDerWaalsContact C-N 3.33Å; M667-Q669 PolarHBondContact O-N 3.5Å; Q669-A672 PolarHBondContact O-N 2.78Å; Q669-G673 PolarHBondContact O-N 3.49Å; Q669-G673 VanDerWaalsContact O-N 3.13Å; Q669-L674 HydrophobicContact CB-CB 4.21Å; Q669-L674 HydrophobicContact CG-CB 4.49Å; Q669-L674 HydrophobicContact CG-CD1 4.46Å; Q669-L674 PolarHBondContact O-N 2.8Å; Q669-R675 HydrophobicContact CB-CB 4.03Å; Q669-R675 PolarHBondContact O-N 3.36Å; Q669-R675 VanDerWaalsContact O-N 3.12Å
670V83.8Confident86.3Confident14 Ų1447.8 Ų47.89%0.08528%0.279CS..Hα-helixtrans-65.3-44.71741760000110.3N613 L614 S666 M667 G668 A672 G673 R675N613-V670 VanDerWaalsContact O-CG1 3.27Å; N613-V670 WeakPolarHBondContact O-CG1 3.35Å; L614-V670 HydrophobicContact CD2-CB 4.17Å; L614-V670 HydrophobicContact CD2-CG1 4.04Å; L614-V670 HydrophobicContact CD2-CG2 4.45Å; S666-V670 WeakPolarHBondContact O-CG2 3.45Å; S666-V670 PolarHBondContact O-N 3.44Å; M667-V670 PolarHBondContact O-N 3.29Å; G668-V670 PolarHBondContact O-N 3.46Å; V670-A672 VanDerWaalsContact C-N 3.32Å; V670-A672 PolarHBondContact O-N 3.17Å; V670-G673 PolarHBondContact O-N 2.86Å; V670-R675 WeakPolarHBondContact CA-O 3.37Å; V670-R675 HydrophobicContact CG2-CB 3.94Å; V670-R675 HydrophobicContact CG2-CG 4.05Å
671K80.4Confident86.2Confident95 Ų9549 Ų4941%0.41329%0.285SS..Hα-helixtrans-60.9-39.6177.1-179.351.9148.4-134.70112.8G610 G611 S612 M667 G668 G673G610-K671 PolarHBondContact O-NZ 2.82Å; G611-K671 PolarHBondContact O-NZ 3.34Å; S612-K671 VanDerWaalsContact N-NZ 3.11Å; S612-K671 VanDerWaalsContact OG-CD 3.32Å; S612-K671 WeakPolarHBondContact OG-CD 3.45Å; S612-K671 PolarHBondContact OG-NZ 3.33Å; S612-K671 VanDerWaalsContact OG-NZ 3.16Å; M667-K671 PolarHBondContact O-N 2.66Å; G668-K671 WeakPolarHBondContact O-CB 3.17Å; G668-K671 PolarHBondContact O-N 3.16Å; K671-G673 PolarHBondContact O-N 3.45Å
672A74.3Confident86.2Confident71 Ų7149.4 Ų49.459%0.58729%0.289SS*.THydrogen-bonded Turntrans-76.4-8.2176.800000113.6G668 Q669 V670 L674G668-A672 WeakPolarHBondContact O-CB 3.5Å; G668-A672 PolarHBondContact O-N 3.36Å; Q669-A672 PolarHBondContact O-N 2.78Å; V670-A672 VanDerWaalsContact C-N 3.32Å; V670-A672 PolarHBondContact O-N 3.17Å; A672-L674 VanDerWaalsContact C-N 3.25Å; A672-L674 HydrophobicContact CB-CD1 4.31Å; A672-L674 HydrophobicContact CB-CG 4.14Å; A672-L674 PolarHBondContact O-N 2.92Å
673G78.7Confident86.3Confident62 Ų6249.9 Ų49.964%0.63929%0.291SS*.THydrogen-bonded Turntrans75.38.8-176.300000114.7Q669 V670 K671Q669-G673 PolarHBondContact O-N 3.49Å; Q669-G673 VanDerWaalsContact O-N 3.13Å; V670-G673 PolarHBondContact O-N 2.86Å; K671-G673 PolarHBondContact O-N 3.45Å
674L76.8Confident86.7Confident142 Ų14248.6 Ų48.674%0.74328%0.282SS*.SBendtrans-71.1-24.3172.8-63.1176.1000111.7Q669 A672Q669-L674 HydrophobicContact CB-CB 4.21Å; Q669-L674 HydrophobicContact CG-CB 4.49Å; Q669-L674 HydrophobicContact CG-CD1 4.46Å; Q669-L674 PolarHBondContact O-N 2.8Å; A672-L674 VanDerWaalsContact C-N 3.25Å; A672-L674 HydrophobicContact CB-CD1 4.31Å; A672-L674 HydrophobicContact CB-CG 4.14Å; A672-L674 PolarHBondContact O-N 2.92Å
675R84.1Confident87.1Confident69 Ų6950 Ų5026%0.2629%0.292SS..SBendtrans-126.7144.1174.7-171.6175.3173.9169.7-4.8110.2Q669 V670 S677Q669-R675 HydrophobicContact CB-CB 4.03Å; Q669-R675 PolarHBondContact O-N 3.36Å; Q669-R675 VanDerWaalsContact O-N 3.12Å; V670-R675 WeakPolarHBondContact CA-O 3.37Å; V670-R675 HydrophobicContact CG2-CB 3.94Å; V670-R675 HydrophobicContact CG2-CG 4.05Å; R675-S677 VanDerWaalsContact CD-O 3.29Å; R675-S677 WeakPolarHBondContact CD-O 2.92Å; R675-S677 VanDerWaalsContact CG-O 3.3Å; R675-S677 WeakPolarHBondContact CG-O 3.35Å; R675-S677 PolarHBondContact NE-O 3.16Å
676T86.4Confident87.8Confident107 Ų10746.8 Ų46.866%0.65628%0.28SS*.SBendtrans-78.6-28.8-175.752.30000114.2G616G616-T676 WeakPolarHBondContact CA-O 3.41Å
677S90.1Very high88.4Confident19 Ų1946.6 Ų46.613%0.13328%0.279CS..  trans-164.8162.8-177.166.50000110.6L614 W615 R675L614-S677 CarbonylContact O-C 3.56Å; L614-S677 WeakPolarHBondContact O-CA 3.21Å; L614-S677 WeakPolarHBondContact O-CB 3.02Å; W615-S677 WeakPolarHBondContact O-CB 3.27Å; R675-S677 VanDerWaalsContact CD-O 3.29Å; R675-S677 WeakPolarHBondContact CD-O 2.92Å; R675-S677 VanDerWaalsContact CG-O 3.3Å; R675-S677 WeakPolarHBondContact CG-O 3.35Å; R675-S677 PolarHBondContact NE-O 3.16Å
678A92.4Very high89Confident4 Ų448.2 Ų48.23%0.03329%0.29CS..SBendtrans-67.3-175.3159.800000111L614 V659 R680L614-A678 HydrophobicContact CB-CB 4Å; L614-A678 HydrophobicContact CD2-CB 4.38Å; L614-A678 PolarHBondContact O-N 3.03Å; V659-A678 HydrophobicContact CB-CB 4.16Å; A678-R680 PolarHBondContact O-N 3.38Å
679K92.3Very high89.9Confident44 Ų4446.3 Ų46.319%0.19127%0.27CS..EExtended strand (participates in β ladder)trans-72.5108.5175.1-172.9-177.1-179.4-171.30108.5T593 L597 V659 G660 L681T593-K679 PolarHBondContact O-NZ 2.94Å; L597-K679 HydrophobicContact CD2-CD 4.12Å; V659-K679 CarbonylContact C-O 3.57Å; V659-K679 VanDerWaalsContact CA-O 3.28Å; V659-K679 WeakPolarHBondContact CA-O 3.3Å; G660-K679 PolarHBondContact N-O 3.36Å; G660-K679 PolarHBondContact O-N 2.82Å; K679-L681 HydrophobicContact CD-CD2 3.83Å; K679-L681 HydrophobicContact CG-CD2 3.95Å; K679-L681 PolarHBondContact O-N 3.14Å
680R93.4Very high90.6Very high39 Ų3948.1 Ų48.115%0.14727%0.274CS..EExtended strand (participates in β ladder)trans-69.8121.6173.5-60.6-175.3-177.4-166.8-5.9108.7W615 G616 L644 K645 T647 A678W615-R680 HydrophobicContact CD2-CG 4.11Å; W615-R680 HydrophobicContact CE3-CB 4.24Å; W615-R680 HydrophobicContact CE3-CG 3.76Å; W615-R680 HydrophobicContact CH2-CB 4.07Å; W615-R680 HydrophobicContact CH2-CG 4.24Å; W615-R680 HydrophobicContact CZ3-CB 3.79Å; W615-R680 HydrophobicContact CZ3-CG 3.83Å; W615-R680 PolarHBondContact O-NE 3.04Å; W615-R680 PolarHBondContact O-NH2 3.43Å; G616-R680 PolarHBondContact O-NH2 2.78Å; L644-R680 HydrophobicContact CB-CB 4.45Å; L644-R680 WeakPolarHBondContact O-CD 3.49Å; L644-R680 PolarHBondContact O-NH1 3.34Å; K645-R680 PolarHBondContact O-NH1 2.82Å; T647-R680 PolarHBondContact O-NH1 2.91Å; A678-R680 PolarHBondContact O-N 3.38Å
681L94.4Very high91.2Very high25 Ų2547.5 Ų47.513%0.13127%0.27CS..EExtended strand (participates in β ladder)trans-103.9-44.8-176.8-62.5176.2000111.8L589 L591 L597 V600 L644 V658 K679L589-L681 HydrophobicContact CD1-CB 4.17Å; L591-L681 HydrophobicContact CD2-CD1 3.89Å; L591-L681 HydrophobicContact CD2-CD2 4.36Å; L597-L681 HydrophobicContact CD1-CD1 4.28Å; V600-L681 HydrophobicContact CG1-CD1 4.39Å; L644-L681 WeakPolarHBondContact CD1-O 3.46Å; V658-L681 HydrophobicContact CB-CB 4.26Å; V658-L681 HydrophobicContact CG1-CB 4.15Å; V658-L681 HydrophobicContact CG1-CD1 4.19Å; V658-L681 WeakPolarHBondContact O-CB 3.31Å; V658-L681 PolarHBondContact O-N 3.5Å; K679-L681 HydrophobicContact CD-CD2 3.83Å; K679-L681 HydrophobicContact CG-CD2 3.95Å; K679-L681 PolarHBondContact O-N 3.14Å
682A95.3Very high91.9Very high10 Ų1048.5 Ų48.58%0.08327%0.274CS..EExtended strand (participates in β ladder)trans-162164.2-179.600000111.8C584 L589 W615 V658C584-A682 HydrophobicContact CB-CB 4.18Å; L589-A682 HydrophobicContact CD1-CB 4.11Å; L589-A682 HydrophobicContact CD2-CB 3.93Å; W615-A682 VanDerWaalsContact CH2-O 3.26Å; W615-A682 WeakPolarHBondContact CH2-O 3.31Å; W615-A682 WeakPolarHBondContact CZ3-O 3.25Å; V658-A682 HydrophobicContact CB-CB 4.11Å; V658-A682 HydrophobicContact CG2-CB 4.05Å; V658-A682 PolarHBondContact N-O 3.18Å; V658-A682 PolarHBondContact O-N 2.82Å
683Q95.1Very high92.8Very high50 Ų5048.1 Ų48.123%0.23426%0.259CS..EExtended strand (participates in β ladder)trans-129.2123.5160.3-178-179.24600106.1W615 V648 K655 I656 E657W615-Q683 HydrophobicContact CH2-CB 4.26Å; W615-Q683 HydrophobicContact CZ2-CB 4.37Å; V648-Q683 PolarHBondContact O-NE2 3.49Å; K655-Q683 HydrophobicContact CB-CG 3.66Å; K655-Q683 HydrophobicContact CG-CG 4.18Å; I656-Q683 WeakPolarHBondContact O-CA 3.4Å; E657-Q683 PolarHBondContact OE1-NE2 3.12Å
684C97.1Very high93.5Very high2 Ų250.6 Ų50.61%0.01425%0.249CC..EExtended strand (participates in β ladder)trans-147.1164.6-167.561.40000112.8C584 D585 K655 I656C584-C684 HydrophobicContact CB-CB 3.74Å; D585-C684 VanDerWaalsContact OD2-CA 3.23Å; D585-C684 WeakPolarHBondContact OD2-CA 3.38Å; D585-C684 WeakPolarHBondContact OD2-CB 3.43Å; K655-C684 CarbonylContact C-O 3.49Å; K655-C684 VanDerWaalsContact CA-O 3.24Å; K655-C684 WeakPolarHBondContact CA-O 3.46Å; I656-C684 PolarHBondContact N-O 2.96Å; I656-C684 PolarHBondContact O-N 3.35Å; I656-C684 VanDerWaalsContact O-N 3.1Å
685S97.8Very high94.4Very high46 Ų4644 Ų4432%0.32222%0.215SC..SBendtrans-99.7-8175.9-72.70000113.7W502 D585 K654 K655W502-S685 WeakPolarHBondContact CZ3-O 3.5Å; D585-S685 WeakPolarHBondContact OD1-CA 3.44Å; D585-S685 PolarHBondContact OD1-N 2.96Å; D585-S685 PolarHBondContact OD2-N 3.23Å; K654-S685 PolarHBondContact O-OG 3.25Å; K655-S685 VanDerWaalsContact CD-OG 3.31Å; K655-S685 WeakPolarHBondContact CD-OG 3.22Å; K655-S685 VanDerWaalsContact CE-OG 3.25Å; K655-S685 WeakPolarHBondContact CE-OG 3.31Å; K655-S685 PolarHBondContact NZ-OG 3.21Å
686S98.1Very high95.1Very high45 Ų4541.3 Ų41.332%0.31521%0.206SC..EExtended strand (participates in β ladder)trans-157.7149.2175.959.80000110D585 I713D585-S686 PolarHBondContact N-O 3.39Å; D585-S686 PolarHBondContact OD1-N 2.64Å; D585-S686 PolarHBondContact OD1-OG 3.46Å; D585-S686 VanDerWaalsContact OD1-OG 3.05Å; S686-I713 WeakPolarHBondContact CA-O 3.46Å
687A98.4Very high95.6Very high2 Ų236.2 Ų36.22%0.01718%0.175CC..EExtended strand (participates in β ladder)trans-139.5145.8174.400000111.9N583 F602 S712 I713N583-A687 CarbonylContact O-C 3.55Å; N583-A687 WeakPolarHBondContact O-CA 3.09Å; F602-A687 HydrophobicContact CD1-CB 4.32Å; F602-A687 HydrophobicContact CE1-CB 3.47Å; F602-A687 VanDerWaalsContact CE1-CB 3.47Å; F602-A687 HydrophobicContact CZ-CB 4.12Å; A687-S712 CarbonylContact O-C 3.43Å; A687-S712 WeakPolarHBondContact O-CA 3.38Å; A687-I713 HydrophobicContact CB-CB 4.31Å; A687-I713 PolarHBondContact N-O 3.36Å; A687-I713 PolarHBondContact O-N 2.58Å
688V98.5Very high95.9Very high52 Ų5235.4 Ų35.432%0.31517%0.169SC..EExtended strand (participates in β ladder)trans-122.5125.8169.9179.60000108.2I582 N583 T710 I711I582-V688 CarbonylContact C-O 3.52Å; I582-V688 WeakPolarHBondContact CA-O 3.41Å; N583-V688 HydrophobicContact CB-CB 4.45Å; N583-V688 PolarHBondContact N-O 3.13Å; N583-V688 PolarHBondContact O-N 2.61Å; V688-T710 HydrophobicContact CG1-CG2 3.83Å; V688-I711 CarbonylContact C-O 3.52Å; V688-I711 VanDerWaalsContact CA-O 3.3Å; V688-I711 WeakPolarHBondContact CA-O 3.42Å
689I98.2Very high96.1Very high0 Ų035.4 Ų35.40%017%0.168CC..EExtended strand (participates in β ladder)trans-119.1131.5-177-51.3160.8000108F527 I529 V580 E581 I582 F602 T691 T710 I711 I713F527-I689 HydrophobicContact CD1-CD1 4.44Å; F527-I689 HydrophobicContact CE1-CD1 3.71Å; I529-I689 HydrophobicContact CD1-CD1 4.18Å; I529-I689 HydrophobicContact CD1-CG2 3.75Å; V580-I689 HydrophobicContact CG1-CG2 3.72Å; E581-I689 CarbonylContact O-C 3.57Å; E581-I689 VanDerWaalsContact O-CA 3.29Å; E581-I689 WeakPolarHBondContact O-CA 3.44Å; I582-I689 HydrophobicContact CG1-CG1 4.33Å; I582-I689 HydrophobicContact CG1-CG2 4.18Å; I582-I689 HydrophobicContact CG2-CG1 4.41Å; F602-I689 HydrophobicContact CD2-CD1 4.14Å; F602-I689 HydrophobicContact CE1-CD1 4.44Å; F602-I689 HydrophobicContact CE2-CD1 3.31Å; F602-I689 HydrophobicContact CE2-CG1 4.08Å; F602-I689 HydrophobicContact CZ-CD1 3.49Å; F602-I689 VanDerWaalsContact CZ-CD1 3.49Å; F602-I689 HydrophobicContact CZ-CG1 3.82Å; I689-T691 HydrophobicContact CG2-CG2 4.4Å; I689-T710 CarbonylContact O-C 3.55Å; I689-T710 WeakPolarHBondContact O-CA 3.35Å; I689-I711 HydrophobicContact CB-CB 4.29Å; I689-I711 PolarHBondContact N-O 3.33Å; I689-I711 PolarHBondContact O-N 2.96Å; I689-I713 HydrophobicContact CD1-CD1 3.9Å; I689-I713 HydrophobicContact CD1-CG1 4.46Å
690R97.7Very high96.3Very high113 Ų11333.8 Ų33.843%0.42616%0.162SC..EExtended strand (participates in β ladder)trans-117.9126.4172.4-59.5-179.5-174.2-86.75.7109.1V580 E581 C709 T710V580-R690 WeakPolarHBondContact CA-O 3.43Å; E581-R690 HydrophobicContact CB-CB 4.32Å; E581-R690 PolarHBondContact N-O 2.71Å; E581-R690 PolarHBondContact O-N 3.1Å; R690-C709 WeakPolarHBondContact CA-O 3.1Å; R690-T710 HydrophobicContact CG-CG2 4.06Å; R690-T710 PolarHBondContact NH1-OG1 3.27Å; R690-T710 VanDerWaalsContact NH1-OG1 3.11Å
691T96.6Very high96.2Very high1 Ų132.9 Ų32.91%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-107.2138.1175.762.10000110.1I529 V580 I689 F695 M697 C709I529-T691 HydrophobicContact CD1-CG2 4.33Å; V580-T691 HydrophobicContact CG2-CG2 4.26Å; I689-T691 HydrophobicContact CG2-CG2 4.4Å; T691-F695 HydrophobicContact CG2-CD2 4.2Å; T691-M697 HydrophobicContact CG2-CE 3.82Å; T691-C709 PolarHBondContact N-O 2.89Å; T691-C709 PolarHBondContact OG1-N 3.18Å; T691-C709 PolarHBondContact OG1-O 3.15Å
692K95Very high96.2Very high116 Ų11635.4 Ų35.450%0.50418%0.176SC..SBendtrans-99.4-6.4-179.6-62.8179.2-178.6169.60113.6F579 E581F579-K692 HydrophobicContact CB-CB 4.32Å; F579-K692 HydrophobicContact CD1-CB 4.45Å; F579-K692 PolarHBondContact O-N 3.22Å; E581-K692 WeakPolarHBondContact OE1-CE 3.18Å; E581-K692 IonicContact OE1-NZ 2.7Å; E581-K692 PolarHBondContact OE1-NZ 3.33Å
693K93.1Very high96.2Very high63 Ų6335.5 Ų35.527%0.27418%0.176SC..SBendtrans-145.5168178.769.8177.3-178.2-179.10110.6F579 F695F579-K693 HydrophobicContact CB-CD 4.17Å; F579-K693 HydrophobicContact CB-CG 4Å; F579-K693 HydrophobicContact CD1-CD 4.06Å; F579-K693 HydrophobicContact CD1-CG 4.38Å; F579-K693 HydrophobicContact CD2-CD 4.04Å; F579-K693 HydrophobicContact CE1-CD 4.5Å; F579-K693 HydrophobicContact CE2-CD 4.49Å; F579-K693 HydrophobicContact CG-CD 3.81Å; F579-K693 HydrophobicContact CG-CG 4.14Å; K693-F695 HydrophobicContact CD-CE1 4.26Å; K693-F695 HydrophobicContact CD-CE2 4.24Å; K693-F695 HydrophobicContact CD-CZ 3.92Å; K693-F695 HydrophobicContact CG-CD2 3.89Å; K693-F695 HydrophobicContact CG-CE1 4.19Å; K693-F695 HydrophobicContact CG-CE2 3.42Å; K693-F695 VanDerWaalsContact CG-CE2 3.42Å; K693-F695 HydrophobicContact CG-CG 4.47Å; K693-F695 HydrophobicContact CG-CZ 3.63Å; K693-F695 WeakPolarHBondContact O-CD2 3.48Å
694R93.4Very high96.3Very high113 Ų11333.3 Ų33.343%0.42617%0.165SC..  trans-63.9131.1172.7-169.1177.2-179.5-176.7-0.6110.6Q706R694-Q706 CarbonylContact C-O 3.57Å; R694-Q706 VanDerWaalsContact CA-O 3.23Å; R694-Q706 WeakPolarHBondContact CA-O 3.33Å; R694-Q706 WeakPolarHBondContact CG-O 3.32Å
695F96.2Very high96.2Very high4 Ų435.3 Ų35.32%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-137.6147.4178.4-78.7-68.4000112I529 L576 F579 V580 T691 K693 Q706I529-F695 HydrophobicContact CG2-CB 3.72Å; I529-F695 HydrophobicContact CG2-CD2 4.31Å; I529-F695 HydrophobicContact CG2-CG 4.03Å; L576-F695 HydrophobicContact CB-CE1 3.97Å; L576-F695 HydrophobicContact CB-CZ 4.09Å; L576-F695 HydrophobicContact CD1-CD1 3.88Å; L576-F695 HydrophobicContact CD1-CE1 3.59Å; L576-F695 HydrophobicContact CD1-CZ 4.02Å; L576-F695 HydrophobicContact CG-CD1 4.41Å; L576-F695 HydrophobicContact CG-CE1 3.68Å; L576-F695 HydrophobicContact CG-CE2 4.43Å; L576-F695 HydrophobicContact CG-CZ 3.65Å; F579-F695 HydrophobicContact CB-CE2 3.92Å; F579-F695 HydrophobicContact CB-CZ 3.9Å; V580-F695 HydrophobicContact CG2-CD2 4.33Å; V580-F695 HydrophobicContact CG2-CE2 3.63Å; V580-F695 HydrophobicContact CG2-CZ 4.07Å; T691-F695 HydrophobicContact CG2-CD2 4.2Å; K693-F695 HydrophobicContact CD-CE1 4.26Å; K693-F695 HydrophobicContact CD-CE2 4.24Å; K693-F695 HydrophobicContact CD-CZ 3.92Å; K693-F695 HydrophobicContact CG-CD2 3.89Å; K693-F695 HydrophobicContact CG-CE1 4.19Å; K693-F695 HydrophobicContact CG-CE2 3.42Å; K693-F695 VanDerWaalsContact CG-CE2 3.42Å; K693-F695 HydrophobicContact CG-CG 4.47Å; K693-F695 HydrophobicContact CG-CZ 3.63Å; K693-F695 WeakPolarHBondContact O-CD2 3.48Å; F695-Q706 PolarHBondContact N-O 2.79Å; F695-Q706 PolarHBondContact O-N 3.22Å
696P96.9Very high96Very high12 Ų1233.1 Ų33.18%0.07816%0.16CC..EExtended strand (participates in β ladder)trans-67.2135.7163.329.3-32.6000110.1G530 A533 W704 L705G530-P696 PolarHBondContact N-O 3.49Å; G530-P696 WeakPolarHBondContact O-CG 3.44Å; A533-P696 HydrophobicContact CB-CB 4.05Å; A533-P696 WeakPolarHBondContact CB-O 3.45Å; P696-W704 WeakPolarHBondContact CA-O 3.25Å; P696-L705 HydrophobicContact CB-CD2 3.92Å
697M97.7Very high95.8Very high0 Ų032.1 Ų32.10%015%0.151CC..EExtended strand (participates in β ladder)trans-131159.4176.7-60.2-169.8-177.100109.8F527 S528 I529 T691 P703 W704 Q706 I711F527-M697 HydrophobicContact CE2-CB 4.22Å; F527-M697 HydrophobicContact CE2-SD 4.29Å; F527-M697 HydrophobicContact CZ-SD 4.08Å; S528-M697 VanDerWaalsContact O-CA 3.29Å; S528-M697 WeakPolarHBondContact O-CA 3.32Å; I529-M697 HydrophobicContact CB-CG 4.45Å; I529-M697 HydrophobicContact CD1-CE 4.08Å; I529-M697 HydrophobicContact CG1-CE 4.21Å; I529-M697 HydrophobicContact CG1-CG 4.07Å; I529-M697 HydrophobicContact CG1-SD 4.23Å; I529-M697 HydrophobicContact CG2-CE 4.1Å; I529-M697 HydrophobicContact CG2-CG 4.16Å; T691-M697 HydrophobicContact CG2-CE 3.82Å; M697-P703 CarbonylContact O-C 3.58Å; M697-P703 VanDerWaalsContact O-CA 3.22Å; M697-P703 WeakPolarHBondContact O-CA 3.37Å; M697-W704 HydrophobicContact CB-CD2 4.05Å; M697-W704 HydrophobicContact CB-CE3 4.21Å; M697-W704 HydrophobicContact CB-CH2 3.76Å; M697-W704 HydrophobicContact CB-CZ2 3.56Å; M697-W704 HydrophobicContact CB-CZ3 4.09Å; M697-W704 HydrophobicContact CG-CZ2 4.36Å; M697-W704 PolarHBondContact N-O 3.26Å; M697-W704 PolarHBondContact O-N 3.15Å; M697-W704 HydrophobicContact SD-CZ2 3.99Å; M697-Q706 HydrophobicContact CE-CB 3.66Å; M697-Q706 HydrophobicContact CE-CG 3.67Å; M697-Q706 HydrophobicContact CG-CB 3.89Å; M697-Q706 HydrophobicContact SD-CB 3.51Å; M697-Q706 VanDerWaalsContact SD-CB 3.51Å; M697-Q706 HydrophobicContact SD-CG 3.63Å; M697-I711 HydrophobicContact CE-CD1 3.78Å; M697-I711 HydrophobicContact SD-CD1 3.55Å; M697-I711 VanDerWaalsContact SD-CD1 3.55Å
698Q96.7Very high95.6Very high3 Ų333.3 Ų33.31%0.01416%0.158CC..EExtended strand (participates in β ladder)trans-150.9151.6172.761.5125.86.900112.4F527 S528 A533 E702 P703F527-Q698 WeakPolarHBondContact CA-O 3.45Å; F527-Q698 WeakPolarHBondContact CD2-O 3.5Å; S528-Q698 PolarHBondContact N-O 2.83Å; S528-Q698 PolarHBondContact O-N 3.1Å; S528-Q698 WeakPolarHBondContact OG-CG 3.31Å; S528-Q698 PolarHBondContact OG-NE2 3.11Å; A533-Q698 HydrophobicContact CB-CB 4.13Å; A533-Q698 HydrophobicContact CB-CG 3.76Å; Q698-E702 VanDerWaalsContact CA-O 3.27Å; Q698-E702 WeakPolarHBondContact CA-O 3.49Å; Q698-P703 HydrophobicContact CB-CB 4.16Å
699V96.7Very high95.4Very high3 Ų330.8 Ų30.82%0.01814%0.143CC..EExtended strand (participates in β ladder)trans-124121.1169.6172.40000107.6I504 I522 V523 F527 G701 E702 W704I504-V699 HydrophobicContact CD1-CG2 3.73Å; I522-V699 VanDerWaalsContact O-CG1 3.23Å; I522-V699 WeakPolarHBondContact O-CG1 3.38Å; V523-V699 HydrophobicContact CB-CG1 4.47Å; V523-V699 HydrophobicContact CG2-CG1 4.07Å; V523-V699 HydrophobicContact CG2-CG2 4.32Å; F527-V699 HydrophobicContact CB-CG2 4.49Å; F527-V699 HydrophobicContact CD2-CG2 3.71Å; V699-G701 PolarHBondContact O-N 3.07Å; V699-E702 PolarHBondContact N-O 2.93Å; V699-E702 PolarHBondContact O-N 2.82Å; V699-W704 HydrophobicContact CB-CZ3 4.37Å; V699-W704 HydrophobicContact CG2-CH2 3.87Å; V699-W704 HydrophobicContact CG2-CZ3 3.88Å
700D95.8Very high95.4Very high10 Ų1032.2 Ų32.25%0.05315%0.152CC..THydrogen-bonded Turntrans52.528.6174-61.5-13.3000115.3N437 T524 N525 Y526N437-D700 PolarHBondContact ND2-OD2 3Å; T524-D700 WeakPolarHBondContact CA-OD2 3.37Å; T524-D700 VanDerWaalsContact CB-OD2 3.3Å; T524-D700 WeakPolarHBondContact CB-OD2 3.18Å; T524-D700 PolarHBondContact N-OD1 3.22Å; T524-D700 PolarHBondContact N-OD2 3.46Å; N525-D700 VanDerWaalsContact CA-OD1 3.28Å; N525-D700 WeakPolarHBondContact CA-OD1 3.14Å; N525-D700 HydrophobicContact CB-CB 4.48Å; N525-D700 VanDerWaalsContact CB-OD1 3.26Å; N525-D700 WeakPolarHBondContact CB-OD1 3.46Å; N525-D700 PolarHBondContact N-OD1 3.36Å; N525-D700 PolarHBondContact N-OD2 3.03Å; Y526-D700 PolarHBondContact N-OD1 3.28Å; Y526-D700 PolarHBondContact O-N 3.29Å
701G92.3Very high95.4Very high21 Ų2126.8 Ų26.822%0.21613%0.131CC..THydrogen-bonded Turntrans95.7-3.4-177.700000115.5V699 P703V699-G701 PolarHBondContact O-N 3.07Å; G701-P703 WeakPolarHBondContact O-CD 3.42Å
702E93.9Very high95.5Very high77 Ų7728.4 Ų28.436%0.3614%0.143SC..EExtended strand (participates in β ladder)trans-96.4108.6175.5-61.7-58.5145.900110P519 H540 Q698 V699P519-E702 HydrophobicContact CB-CB 4.25Å; P519-E702 HydrophobicContact CG-CB 3.97Å; H540-E702 IonicContact CE1-OE2 3.18Å; H540-E702 IonicContact ND1-OE2 3.77Å; Q698-E702 VanDerWaalsContact CA-O 3.27Å; Q698-E702 WeakPolarHBondContact CA-O 3.49Å; V699-E702 PolarHBondContact N-O 2.93Å; V699-E702 PolarHBondContact O-N 2.82Å
703P95.8Very high95.6Very high12 Ų1223 Ų238%0.07812%0.119CC..EExtended strand (participates in β ladder)trans-98.4159.7-170.839.2-35.7000113.4A536 H537 H540 M697 Q698 G701A536-P703 HydrophobicContact CB-CB 3.95Å; A536-P703 HydrophobicContact CB-CG 4.28Å; H537-P703 VanDerWaalsContact CA-CG 3.44Å; H537-P703 HydrophobicContact CB-CB 3.91Å; H537-P703 HydrophobicContact CB-CG 4.26Å; H540-P703 HydrophobicContact CB-CG 3.54Å; M697-P703 CarbonylContact O-C 3.58Å; M697-P703 VanDerWaalsContact O-CA 3.22Å; M697-P703 WeakPolarHBondContact O-CA 3.37Å; Q698-P703 HydrophobicContact CB-CB 4.16Å; G701-P703 WeakPolarHBondContact O-CD 3.42Å
704W95.8Very high95.9Very high5 Ų522.4 Ų22.42%0.01912%0.121CC..EExtended strand (participates in β ladder)trans-157.6165.1169.474.4105.8000111D516 V518 P519 F527 P696 M697 V699D516-W704 HydrophobicContact CB-CB 3.94Å; V518-W704 HydrophobicContact CG1-CH2 4.29Å; V518-W704 HydrophobicContact CG1-CZ2 4.1Å; V518-W704 HydrophobicContact CG2-CZ2 4.4Å; P519-W704 HydrophobicContact CG-CE3 3.85Å; P519-W704 HydrophobicContact CG-CZ3 4.3Å; F527-W704 HydrophobicContact CD2-CH2 4.34Å; F527-W704 AromaticContact CE2-CH2 3.88Å; F527-W704 HydrophobicContact CE2-CH2 3.88Å; F527-W704 HydrophobicContact CE2-CZ2 4.42Å; P696-W704 WeakPolarHBondContact CA-O 3.25Å; M697-W704 HydrophobicContact CB-CD2 4.05Å; M697-W704 HydrophobicContact CB-CE3 4.21Å; M697-W704 HydrophobicContact CB-CH2 3.76Å; M697-W704 HydrophobicContact CB-CZ2 3.56Å; M697-W704 HydrophobicContact CB-CZ3 4.09Å; M697-W704 HydrophobicContact CG-CZ2 4.36Å; M697-W704 PolarHBondContact N-O 3.26Å; M697-W704 PolarHBondContact O-N 3.15Å; M697-W704 HydrophobicContact SD-CZ2 3.99Å; V699-W704 HydrophobicContact CB-CZ3 4.37Å; V699-W704 HydrophobicContact CG2-CH2 3.87Å; V699-W704 HydrophobicContact CG2-CZ3 3.88Å
705L94.9Very high96.1Very high44 Ų4420 Ų2023%0.2311%0.114CC..EExtended strand (participates in β ladder)trans-96.8116.1170.4-67.8171.7000110.6D516 P696D516-L705 WeakPolarHBondContact OD2-CB 3.35Å; D516-L705 PolarHBondContact OD2-N 2.74Å; P696-L705 HydrophobicContact CB-CD2 3.92Å
706Q94.7Very high96.2Very high0 Ų023.3 Ų23.30%013%0.129CC..EExtended strand (participates in β ladder)trans-104131.3-175.3-172.951.865.900112L506 E508 R694 F695 M697 C709L506-Q706 VanDerWaalsContact CD1-CD 3.41Å; L506-Q706 HydrophobicContact CD1-CG 3.81Å; E508-Q706 PolarHBondContact OE1-NE2 3.04Å; R694-Q706 CarbonylContact C-O 3.57Å; R694-Q706 VanDerWaalsContact CA-O 3.23Å; R694-Q706 WeakPolarHBondContact CA-O 3.33Å; R694-Q706 WeakPolarHBondContact CG-O 3.32Å; F695-Q706 PolarHBondContact N-O 2.79Å; F695-Q706 PolarHBondContact O-N 3.22Å; M697-Q706 HydrophobicContact CE-CB 3.66Å; M697-Q706 HydrophobicContact CE-CG 3.67Å; M697-Q706 HydrophobicContact CG-CB 3.89Å; M697-Q706 HydrophobicContact SD-CB 3.51Å; M697-Q706 VanDerWaalsContact SD-CB 3.51Å; M697-Q706 HydrophobicContact SD-CG 3.63Å; Q706-C709 WeakPolarHBondContact CG-SG 3.4Å
707Q93.4Very high96.1Very high23 Ų2324 Ų2411%0.10713%0.132CC..  trans-68.3164.5171.1-67-64.21.900112.1E513 C709E513-Q707 PolarHBondContact OE2-NE2 3.42Å; Q707-C709 PolarHBondContact O-N 2.87Å; Q707-C709 VanDerWaalsContact O-N 3.16Å; Q707-C709 PolarHBondContact O-SG 3.34Å; Q707-C709 VanDerWaalsContact O-SG 3.39Å
708P94.8Very high96.1Very high27 Ų2726.9 Ų26.918%0.17515%0.145CC..SBendtrans-46.6123.4173.6-28.335.3000112.3Q509Q509-P708 PolarHBondContact N-O 2.93Å; Q509-P708 VanDerWaalsContact N-O 3.16Å
709C94.9Very high96.1Very high0 Ų027 Ų270%015%0.146CC..EExtended strand (participates in β ladder)trans-151.2167.8-172.460.60000111.7L506 V507 R690 T691 Q706 Q707L506-C709 HydrophobicContact CD2-CB 3.96Å; L506-C709 HydrophobicContact CG-CB 4.09Å; V507-C709 CarbonylContact O-C 3.57Å; V507-C709 WeakPolarHBondContact O-CA 3.34Å; V507-C709 WeakPolarHBondContact O-CB 3.47Å; R690-C709 WeakPolarHBondContact CA-O 3.1Å; T691-C709 PolarHBondContact N-O 2.89Å; T691-C709 PolarHBondContact OG1-N 3.18Å; T691-C709 PolarHBondContact OG1-O 3.15Å; Q706-C709 WeakPolarHBondContact CG-SG 3.4Å; Q707-C709 PolarHBondContact O-N 2.87Å; Q707-C709 VanDerWaalsContact O-N 3.16Å; Q707-C709 PolarHBondContact O-SG 3.34Å; Q707-C709 VanDerWaalsContact O-SG 3.39Å
710T97.3Very high96.1Very high29 Ų2930.7 Ų30.718%0.17816%0.163CC..EExtended strand (participates in β ladder)trans-109128163.9-55.30000108.7V507 V688 I689 R690V507-T710 PolarHBondContact N-O 3.1Å; V507-T710 PolarHBondContact O-N 3.49Å; V688-T710 HydrophobicContact CG1-CG2 3.83Å; I689-T710 CarbonylContact O-C 3.55Å; I689-T710 WeakPolarHBondContact O-CA 3.35Å; R690-T710 HydrophobicContact CG-CG2 4.06Å; R690-T710 PolarHBondContact NH1-OG1 3.27Å; R690-T710 VanDerWaalsContact NH1-OG1 3.11Å
711I97.5Very high96.3Very high0 Ų030.2 Ų30.20%016%0.161CC..EExtended strand (participates in β ladder)trans-115.3132.1179.8-60.4170.9000108.7I504 N505 L506 F527 V688 I689 M697 I713I504-I711 HydrophobicContact CG2-CG2 3.61Å; N505-I711 CarbonylContact O-C 3.53Å; N505-I711 WeakPolarHBondContact O-CA 3.18Å; L506-I711 HydrophobicContact CD1-CD1 4.23Å; L506-I711 HydrophobicContact CD1-CG1 4.03Å; L506-I711 HydrophobicContact CG-CG1 4.18Å; F527-I711 HydrophobicContact CZ-CD1 3.85Å; V688-I711 CarbonylContact C-O 3.52Å; V688-I711 VanDerWaalsContact CA-O 3.3Å; V688-I711 WeakPolarHBondContact CA-O 3.42Å; I689-I711 HydrophobicContact CB-CB 4.29Å; I689-I711 PolarHBondContact N-O 3.33Å; I689-I711 PolarHBondContact O-N 2.96Å; M697-I711 HydrophobicContact CE-CD1 3.78Å; M697-I711 HydrophobicContact SD-CD1 3.55Å; M697-I711 VanDerWaalsContact SD-CD1 3.55Å; I711-I713 HydrophobicContact CG2-CG1 4.26Å
712S98Very high96.6Very high35 Ų3529.4 Ų29.425%0.24515%0.151CC..EExtended strand (participates in β ladder)trans-111.9127.2168.869.40000110.5I504 N505 A687I504-S712 WeakPolarHBondContact CA-O 3.24Å; N505-S712 WeakPolarHBondContact CB-OG 3.39Å; N505-S712 PolarHBondContact N-O 3.2Å; N505-S712 PolarHBondContact O-N 3.11Å; A687-S712 CarbonylContact O-C 3.43Å; A687-S712 WeakPolarHBondContact O-CA 3.38Å
713I98.4Very high96.7Very high1 Ų127.7 Ų27.71%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-105.9121.2174.1-51.8-175.9000108.1W502 L503 I504 F527 F602 I656 S686 A687 I689 I711W502-I713 HydrophobicContact CB-CG2 4.02Å; W502-I713 HydrophobicContact CD2-CG2 4.49Å; W502-I713 HydrophobicContact CE3-CG2 4.02Å; L503-I713 WeakPolarHBondContact O-CA 3.44Å; I504-I713 HydrophobicContact CG1-CG1 4.28Å; F527-I713 HydrophobicContact CD1-CD1 3.71Å; F527-I713 HydrophobicContact CE1-CD1 4.19Å; F602-I713 HydrophobicContact CB-CD1 4.23Å; F602-I713 HydrophobicContact CD1-CD1 3.72Å; F602-I713 HydrophobicContact CD2-CD1 3.98Å; F602-I713 HydrophobicContact CE1-CD1 4.04Å; F602-I713 HydrophobicContact CE2-CD1 4.28Å; F602-I713 HydrophobicContact CG-CD1 3.69Å; F602-I713 HydrophobicContact CZ-CD1 4.31Å; I656-I713 HydrophobicContact CD1-CG2 4.29Å; S686-I713 WeakPolarHBondContact CA-O 3.46Å; A687-I713 HydrophobicContact CB-CB 4.31Å; A687-I713 PolarHBondContact N-O 3.36Å; A687-I713 PolarHBondContact O-N 2.58Å; I689-I713 HydrophobicContact CD1-CD1 3.9Å; I689-I713 HydrophobicContact CD1-CG1 4.46Å; I711-I713 HydrophobicContact CG2-CG1 4.26Å
714T98.4Very high96.7Very high52 Ų5227.3 Ų27.332%0.31914%0.141SC..EExtended strand (participates in β ladder)trans-136.3155.1-179.256.50000110.6W502 L503 K716W502-T714 CarbonylContact C-O 3.52Å; W502-T714 WeakPolarHBondContact CA-O 3.16Å; L503-T714 PolarHBondContact N-O 2.92Å; L503-T714 PolarHBondContact O-N 3.09Å; T714-K716 PolarHBondContact O-N 3.4Å
715H98.4Very high96.4Very high62 Ų6230.3 Ų30.329%0.28716%0.163SC..EExtended strand (participates in β ladder)trans-70.1126.3177.4172-78.2000110.7D500 W502D500-H715 IonicContact OD1-CD2 2.61Å; D500-H715 IonicContact OD1-NE2 2.62Å; D500-H715 PolarHBondContact OD1-NE2 3.08Å; W502-H715 HydrophobicContact CE3-CB 4.24Å; W502-H715 HydrophobicContact CH2-CB 4.42Å; W502-H715 HydrophobicContact CZ3-CB 4.06Å
716K97.1Very high95.5Very high74 Ų7436.2 Ų36.232%0.32219%0.187SC..EExtended strand (participates in β ladder)trans-88-67.3176.8178.3-179.6179.3-620111.5D444 R501 L503 I522 T714D444-K716 IonicContact OD2-NZ 3.39Å; D444-K716 PolarHBondContact OD2-NZ 2.8Å; R501-K716 WeakPolarHBondContact O-CA 3.39Å; R501-K716 VanDerWaalsContact O-CB 3.29Å; R501-K716 WeakPolarHBondContact O-CB 3.35Å; R501-K716 PolarHBondContact O-N 3.31Å; L503-K716 HydrophobicContact CB-CB 4.12Å; I522-K716 HydrophobicContact CD1-CD 3.37Å; I522-K716 HydrophobicContact CG1-CD 4.03Å; I522-K716 HydrophobicContact CG2-CD 4.18Å; T714-K716 PolarHBondContact O-N 3.4Å
717N96.5Very high93.9Very high27 Ų2742.7 Ų42.714%0.14422%0.215CC..EExtended strand (participates in β ladder)trans-162.4175.9-178.467.915.8000111.1D444 R501D444-N717 PolarHBondContact OD1-ND2 3.36Å; D444-N717 VanDerWaalsContact OD1-ND2 3.09Å; R501-N717 VanDerWaalsContact CZ-OD1 3.28Å; R501-N717 PolarHBondContact N-O 3.48Å; R501-N717 PolarHBondContact NE-OD1 3.17Å; R501-N717 VanDerWaalsContact NH2-CG 3.3Å; R501-N717 PolarHBondContact NH2-ND2 3.17Å; R501-N717 PolarHBondContact NH2-OD1 3.36Å; R501-N717 PolarHBondContact O-N 3.39Å
718Q96.8Very high91.4Very high60 Ų6049.1 Ų49.128%0.2825%0.245SC..EExtended strand (participates in β ladder)trans-112.4146.8172-72.8-177.8-48.500110.7L499 D500 G652L499-Q718 CarbonylContact O-C 3.51Å; L499-Q718 VanDerWaalsContact O-CA 3.29Å; L499-Q718 WeakPolarHBondContact O-CA 3.29Å; D500-Q718 VanDerWaalsContact OD1-CD 3.23Å; D500-Q718 WeakPolarHBondContact OD1-CG 3.43Å; D500-Q718 PolarHBondContact OD1-NE2 2.75Å; G652-Q718 PolarHBondContact O-NE2 3.36Å
719V97.1Very high88.7Confident5 Ų558.2 Ų58.23%0.0328%0.275CS..EExtended strand (participates in β ladder)trans-122.1155.3170.6-61.80000110.7L440 T498 L499 M721L440-V719 HydrophobicContact CD1-CG2 4.15Å; L440-V719 HydrophobicContact CD2-CB 4.18Å; L440-V719 HydrophobicContact CD2-CG1 4.25Å; L440-V719 HydrophobicContact CD2-CG2 3.97Å; T498-V719 WeakPolarHBondContact CA-O 3.33Å; L499-V719 HydrophobicContact CB-CG2 3.88Å; L499-V719 HydrophobicContact CD2-CG2 4.06Å; L499-V719 HydrophobicContact CG-CG2 4.27Å; L499-V719 PolarHBondContact N-O 3.47Å; L499-V719 PolarHBondContact O-N 3.05Å; V719-M721 HydrophobicContact CG2-CG 4.39Å; V719-M721 HydrophobicContact CG2-SD 3.96Å
720Q97.4Very high85.9Confident80 Ų8060.8 Ų60.837%0.37430%0.297SS..EExtended strand (participates in β ladder)trans-90.2126.4176.2-68.9-172.2-16.200109.7P454 V455 I496P454-Q720 CarbonylContact C-O 3.52Å; P454-Q720 VanDerWaalsContact CA-O 3.27Å; P454-Q720 WeakPolarHBondContact CA-O 3.44Å; P454-Q720 HydrophobicContact CB-CB 4.14Å; P454-Q720 HydrophobicContact CG-CB 4.11Å; V455-Q720 PolarHBondContact N-O 3.42Å; I496-Q720 HydrophobicContact CG2-CB 3.87Å; I496-Q720 HydrophobicContact CG2-CG 3.96Å
721M98.3Very high83Confident0 Ų064 Ų640%031%0.313CS..EExtended strand (participates in β ladder)trans-116.5148.4175.4-56-57.7-69.200109.9V436 L440 V455 V457 L466 L470 I496 V497 L499 V719V436-M721 HydrophobicContact CG1-CE 4.18Å; L440-M721 HydrophobicContact CD2-SD 4.27Å; V455-M721 HydrophobicContact CB-CE 3.9Å; V455-M721 HydrophobicContact CB-SD 3.89Å; V455-M721 HydrophobicContact CG1-CE 4.15Å; V455-M721 CarbonylContact O-C 3.58Å; V455-M721 WeakPolarHBondContact O-CA 3.43Å; V455-M721 WeakPolarHBondContact O-CE 3.48Å; V457-M721 HydrophobicContact CG2-CE 4.17Å; L466-M721 HydrophobicContact CD2-CE 4.08Å; L470-M721 HydrophobicContact CD1-CB 3.96Å; L470-M721 HydrophobicContact CD1-CE 3.6Å; L470-M721 HydrophobicContact CD1-CG 4.34Å; L470-M721 HydrophobicContact CD2-CB 3.62Å; L470-M721 HydrophobicContact CD2-CG 4.43Å; L470-M721 HydrophobicContact CG-CB 4.46Å; I496-M721 WeakPolarHBondContact CA-O 3.36Å; V497-M721 HydrophobicContact CG2-CB 4.03Å; V497-M721 PolarHBondContact N-O 2.89Å; V497-M721 PolarHBondContact O-N 2.81Å; L499-M721 HydrophobicContact CB-CG 3.65Å; L499-M721 HydrophobicContact CD2-CG 3.8Å; L499-M721 HydrophobicContact CD2-SD 4.1Å; L499-M721 HydrophobicContact CG-CG 4.39Å; V719-M721 HydrophobicContact CG2-CG 4.39Å; V719-M721 HydrophobicContact CG2-SD 3.96Å
722L98.5Very high79.8Confident4 Ų468.7 Ų68.72%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-91.1121.9171.6-65.7179.3000109.1N426 P454 V455 A456 W472 I491 S494 I496N426-L722 HydrophobicContact CB-CD1 4.02Å; P454-L722 HydrophobicContact CB-CD1 4.3Å; P454-L722 HydrophobicContact CB-CD2 3.49Å; P454-L722 VanDerWaalsContact CB-CD2 3.49Å; P454-L722 HydrophobicContact CB-CG 3.63Å; P454-L722 HydrophobicContact CG-CD2 4.3Å; V455-L722 PolarHBondContact O-N 3.37Å; A456-L722 HydrophobicContact CB-CB 3.96Å; A456-L722 HydrophobicContact CB-CD1 3.94Å; A456-L722 HydrophobicContact CB-CG 4.47Å; W472-L722 HydrophobicContact CZ2-CB 4.21Å; W472-L722 PolarHBondContact NE1-O 2.76Å; I491-L722 HydrophobicContact CG2-CD1 3.85Å; S494-L722 WeakPolarHBondContact OG-CD2 3.45Å; I496-L722 HydrophobicContact CG1-CD2 3.76Å
723Q97.7Very high76.6Confident42 Ų4275.5 Ų75.520%0.19636%0.358CS..EExtended strand (participates in β ladder)trans-101.7124.2175.3-175173.556.500109.9C469 L470 N471 S494 T495 V497C469-Q723 PolarHBondContact O-NE2 2.81Å; L470-Q723 HydrophobicContact CD2-CB 4.28Å; L470-Q723 WeakPolarHBondContact O-CA 3.35Å; N471-Q723 WeakPolarHBondContact ND2-CG 3.35Å; S494-Q723 WeakPolarHBondContact CA-O 3.49Å; S494-Q723 VanDerWaalsContact CB-O 3.25Å; S494-Q723 WeakPolarHBondContact CB-O 3.19Å; T495-Q723 PolarHBondContact N-O 2.83Å; T495-Q723 VanDerWaalsContact N-O 3.08Å; T495-Q723 PolarHBondContact O-N 3.15Å; V497-Q723 HydrophobicContact CG1-CB 3.93Å; V497-Q723 HydrophobicContact CG2-CB 3.97Å
724A95.6Very high73.4Confident3 Ų381.8 Ų81.83%0.02539%0.387CS..PPolyproline II helixtrans-66146.5175.100000110.7L470 N471 W472 K726L470-A724 PolarHBondContact O-N 3.12Å; N471-A724 HydrophobicContact CB-CB 4.03Å; N471-A724 WeakPolarHBondContact CB-O 3.11Å; N471-A724 PolarHBondContact ND2-O 3.23Å; W472-A724 HydrophobicContact CD2-CB 3.89Å; W472-A724 HydrophobicContact CE3-CB 3.77Å; W472-A724 HydrophobicContact CH2-CB 3.85Å; W472-A724 HydrophobicContact CZ2-CB 3.99Å; W472-A724 HydrophobicContact CZ3-CB 3.77Å; A724-K726 PolarHBondContact O-N 2.92Å
725S89.5Confident70.3Confident69 Ų6983.2 Ų83.248%0.48340%0.398SS..PPolyproline II helixtrans-58.3134.4174.355.90000110.7K727S725-K727 PolarHBondContact O-N 3.07Å
726K75.2Confident67.1Low167 Ų16785.5 Ų85.573%0.72641%0.412SS*.PPolyproline II helixtrans-59.1124.6175.9-70.9179.4-177.8171.80108A724 H728A724-K726 PolarHBondContact O-N 2.92Å; K726-H728 PolarHBondContact O-N 3.3Å
727K62.3Low64.2Low137 Ų13786.4 Ų86.460%0.59642%0.421SS*.PPolyproline II helixtrans-56.4125.6166.7-69.2-178.1-177.7174.90107.4S725 R729S725-K727 PolarHBondContact O-N 3.07Å; K727-R729 PolarHBondContact O-N 3.08Å; K727-R729 VanDerWaalsContact O-N 3.14Å
728H40.9Very low61.5Low158 Ų15891.8 Ų91.873%0.73145%0.445SS*.PPolyproline II helixtrans-53.9124.7167-124-94.6000106.7K726 A730 D731K726-H728 PolarHBondContact O-N 3.3Å; H728-A730 HydrophobicContact CB-CB 4.47Å; H728-A730 PolarHBondContact O-N 2.93Å; H728-D731 PolarHBondContact O-N 3.27Å
729R36.7Very low58.8Low217 Ų21795.8 Ų95.882%0.81947%0.468SS*.THydrogen-bonded Turntrans-53.7-18179.9-86.6-174.2-179.5176.6-0.2113.1K727 D731 L732 W733K727-R729 PolarHBondContact O-N 3.08Å; K727-R729 VanDerWaalsContact O-N 3.14Å; R729-D731 VanDerWaalsContact C-N 3.25Å; R729-D731 PolarHBondContact O-N 3.21Å; R729-L732 PolarHBondContact O-N 3.2Å; R729-W733 PolarHBondContact O-N 3.34Å
730A36.9Very low55.8Low55 Ų55100.9 Ų100.946%0.45550%0.503SS..Hα-helixtrans-53.5-38.1172.100000113H728 L732 W733 H734H728-A730 HydrophobicContact CB-CB 4.47Å; H728-A730 PolarHBondContact O-N 2.93Å; A730-L732 VanDerWaalsContact C-N 3.33Å; A730-L732 PolarHBondContact O-N 3.36Å; A730-W733 PolarHBondContact O-N 3.37Å; A730-H734 PolarHBondContact O-N 3.39Å
731D35.7Very low53Low97 Ų97101.3 Ų101.352%0.51952%0.515SS..Hα-helixtrans-70.1-29-178.8-75.4-10000112.9H728 R729 C735H728-D731 PolarHBondContact O-N 3.27Å; R729-D731 VanDerWaalsContact C-N 3.25Å; R729-D731 PolarHBondContact O-N 3.21Å; D731-C735 PolarHBondContact O-N 2.79Å; D731-C735 VanDerWaalsContact O-N 3.14Å; D731-C735 PolarHBondContact O-SG 3.48Å
732L31.2Very low49.9Very low98 Ų98110.6 Ų110.651%0.51356%0.555SS.*Hα-helixtrans-78.5-38179.4-114.9111.4000111.9R729 A730 H734 C735 L736R729-L732 PolarHBondContact O-N 3.2Å; A730-L732 VanDerWaalsContact C-N 3.33Å; A730-L732 PolarHBondContact O-N 3.36Å; L732-H734 VanDerWaalsContact C-N 3.32Å; L732-C735 PolarHBondContact O-N 3.49Å; L732-L736 PolarHBondContact O-N 3.46Å
733W30.5Very low46.9Very low177 Ų177117.1 Ų117.167%0.6762%0.623SS**Hα-helixtrans-65.9-36.4171.7-92.874.8000111.6R729 A730 C735 L736 N737R729-W733 PolarHBondContact O-N 3.34Å; A730-W733 PolarHBondContact O-N 3.37Å; W733-C735 PolarHBondContact O-N 2.87Å; W733-L736 PolarHBondContact O-N 3.34Å; W733-N737 WeakPolarHBondContact O-CB 3.25Å; W733-N737 PolarHBondContact O-N 3.35Å
734H31.7Very low44.4Very low133 Ų133120.9 Ų120.962%0.61664%0.644SS**Hα-helixtrans-65.8-34.8173.4-110-63.1000113.4A730 L732 Q738A730-H734 PolarHBondContact O-N 3.39Å; L732-H734 VanDerWaalsContact C-N 3.32Å; H734-Q738 PolarHBondContact O-N 2.92Å
735C33Very low41.7Very low83 Ų83127.1 Ų127.156%0.56168%0.677SS**Hα-helixtrans-74.2-38.8175.8-68.50000112.5D731 L732 W733 Q738D731-C735 PolarHBondContact O-N 2.79Å; D731-C735 VanDerWaalsContact O-N 3.14Å; D731-C735 PolarHBondContact O-SG 3.48Å; L732-C735 PolarHBondContact O-N 3.49Å; W733-C735 PolarHBondContact O-N 2.87Å; C735-Q738 PolarHBondContact O-N 2.97Å
736L30.2Very low39Very low109 Ų109130.3 Ų130.357%0.57169%0.688SS**Hα-helixtrans-68.8-32.6177.4-78.4160.1000112.5L732 W733L732-L736 PolarHBondContact O-N 3.46Å; W733-L736 PolarHBondContact O-N 3.34Å
737N36Very low36.9Very low94 Ų94128.1 Ų128.150%0.50369%0.685SS.*Hα-helixtrans-81.1-15.6178.8-77.4-6.5000114.4W733 S741W733-N737 WeakPolarHBondContact O-CB 3.25Å; W733-N737 PolarHBondContact O-N 3.35Å; N737-S741 PolarHBondContact O-OG 2.88Å
738Q41.3Very low35.3Very low139 Ų139127.6 Ų127.665%0.6569%0.691SS**Hα-helixtrans-77.2-28.9173.2-83.2-172.5-11.400113H734 C735H734-Q738 PolarHBondContact O-N 2.92Å; C735-Q738 PolarHBondContact O-N 2.97Å
739D38.3Very low35Very low144 Ų144125.5 Ų125.577%0.7769%0.688SS**Hα-helixtrans-84.1-16.6179.2-74.9-19.9000113.3
740C35.9Very low34.8Very low113 Ų113119 Ų11976%0.76468%0.679SS**THydrogen-bonded Turntrans-93.6-0.3178.2-740000115.3
741S37.8Very low34.7Very low89 Ų89123.9 Ų123.962%0.62270%0.696SS**SBendtrans-109.115.6178.946.90000113.9N737N737-S741 PolarHBondContact O-OG 2.88Å
742K33.9Very low34.6Very low195 Ų195126.2 Ų126.285%0.84871%0.711SS**  trans-126.255.8167.1-69.7-171177-175.90110.7
743G35.2Very low34.9Very low140 Ų140128.7 Ų128.7100%1.44373%0.729SS**  trans-110.40143.200000107

Retrieved 743 of 743 residues in 343.7 ms (Link to these results)

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