A0A077ZIA2_TRITR Loading...

AAA 2 and Clp N and ClpB D2-small and AAA domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIA2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 867 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
1M66Low86Confident95 Ų9557.9 Ų57.947%0.46829%0.287SS..  0114.10-165.517899.600108.8I3 M6 I84 L92M1-I3 HydrophobicContact CE-CD1 4.22Å; M1-I3 HydrophobicContact CE-CG1 3.83Å; M1-M6 HydrophobicContact CE-CE 4.02Å; M1-M6 HydrophobicContact CG-CE 3.45Å; M1-M6 VanDerWaalsContact CG-CE 3.45Å; M1-M6 HydrophobicContact SD-CE 3.77Å; M1-I84 HydrophobicContact CE-CD1 3.77Å; M1-I84 HydrophobicContact SD-CD1 4.22Å; M1-L92 HydrophobicContact SD-CB 4.46Å; M1-L92 HydrophobicContact SD-CD1 3.45Å; M1-L92 WeakPolarHBondContact SD-CD1 3.49Å
2N76.5Confident86.4Confident81 Ų8161.1 Ų61.143%0.43330%0.3SS..  trans-106.2106.4174.7-175.4-1.6000108.2E4 K5N2-E4 PolarHBondContact O-N 3.44Å; N2-E4 WeakPolarHBondContact OD1-CB 3.38Å; N2-E4 PolarHBondContact OD1-N 3.02Å; N2-K5 HydrophobicContact CB-CB 4.37Å; N2-K5 HydrophobicContact CB-CG 4.36Å; N2-K5 PolarHBondContact O-N 3.02Å
3I76.7Confident87Confident95 Ų9556.5 Ų56.549%0.48728%0.278SS..G310 helixtrans-60.4-33.6-177.3-63.9172.2000110.7M1 K5 M6 Q11M1-I3 HydrophobicContact CE-CD1 4.22Å; M1-I3 HydrophobicContact CE-CG1 3.83Å; I3-K5 PolarHBondContact O-N 3.46Å; I3-K5 VanDerWaalsContact O-N 3.11Å; I3-M6 WeakPolarHBondContact O-CB 3.48Å; I3-M6 PolarHBondContact O-N 3.49Å; I3-Q11 HydrophobicContact CG2-CG 3.98Å; I3-Q11 PolarHBondContact O-NE2 3.49Å; I3-Q11 VanDerWaalsContact O-NE2 3.08Å
4E82.1Confident87.4Confident144 Ų14454 Ų5467%0.67327%0.266SS*.G310 helixtrans-63.4-20.6178.3-59.9-179.416600113.2N2 M6 F106 Q154N2-E4 PolarHBondContact O-N 3.44Å; N2-E4 WeakPolarHBondContact OD1-CB 3.38Å; N2-E4 PolarHBondContact OD1-N 3.02Å; E4-M6 VanDerWaalsContact C-N 3.34Å; E4-F106 WeakPolarHBondContact O-CE1 3.46Å; E4-Q154 PolarHBondContact O-NE2 3.02Å
5K89.6Confident87.7Confident99 Ų9954.2 Ų54.243%0.4328%0.28SS..G310 helixtrans-91.111.5174.2-73.3-167.1171.2-167.30113.3N2 I3 F106 L107N2-K5 HydrophobicContact CB-CB 4.37Å; N2-K5 HydrophobicContact CB-CG 4.36Å; N2-K5 PolarHBondContact O-N 3.02Å; I3-K5 PolarHBondContact O-N 3.46Å; I3-K5 VanDerWaalsContact O-N 3.11Å; K5-F106 CarbonylContact O-C 3.6Å; K5-F106 WeakPolarHBondContact O-CA 3.42Å; K5-L107 PolarHBondContact O-N 2.98Å
6M94.1Very high88.1Confident4 Ų456.1 Ų56.12%0.0229%0.287CS..BIsolated β-bridgetrans-97.6152.2171-64.1173.4177.500109.8M1 I3 E4 L10 Q11 I14 L92 L107M1-M6 HydrophobicContact CE-CE 4.02Å; M1-M6 HydrophobicContact CG-CE 3.45Å; M1-M6 VanDerWaalsContact CG-CE 3.45Å; M1-M6 HydrophobicContact SD-CE 3.77Å; I3-M6 WeakPolarHBondContact O-CB 3.48Å; I3-M6 PolarHBondContact O-N 3.49Å; E4-M6 VanDerWaalsContact C-N 3.34Å; M6-L10 HydrophobicContact CB-CB 4.46Å; M6-L10 HydrophobicContact CB-CD2 4.09Å; M6-L10 HydrophobicContact CB-CG 4.4Å; M6-L10 HydrophobicContact CG-CD2 3.97Å; M6-L10 HydrophobicContact SD-CD2 4.25Å; M6-L10 HydrophobicContact SD-CG 4.41Å; M6-Q11 HydrophobicContact CB-CG 3.71Å; M6-Q11 PolarHBondContact O-NE2 3.02Å; M6-I14 HydrophobicContact CE-CD1 4.2Å; M6-I14 HydrophobicContact SD-CD1 3.76Å; M6-L92 HydrophobicContact CE-CD1 4.5Å; M6-L107 WeakPolarHBondContact CA-O 3.47Å; M6-L107 HydrophobicContact CE-CD2 4.33Å; M6-L107 HydrophobicContact CG-CB 4.36Å; M6-L107 HydrophobicContact CG-CD2 4.46Å
7T93.5Very high88.5Confident0 Ų052.8 Ų52.80%027%0.27CS..  trans-66.2154.2168.757.40000110.9T9 L10 Q11 F106 L107 V151 Q154 E157T7-T9 VanDerWaalsContact C-N 3.29Å; T7-T9 PolarHBondContact O-N 3.46Å; T7-L10 PolarHBondContact O-N 2.87Å; T7-L10 VanDerWaalsContact O-N 3.11Å; T7-L10 WeakPolarHBondContact OG1-CB 3.48Å; T7-Q11 WeakPolarHBondContact O-CG 3.24Å; T7-Q11 PolarHBondContact O-N 2.9Å; T7-F106 HydrophobicContact CG2-CB 4.06Å; T7-L107 PolarHBondContact N-O 2.95Å; T7-V151 HydrophobicContact CG2-CG1 3.81Å; T7-Q154 CarbonylContact C-O 2.98Å; T7-Q154 WeakPolarHBondContact CA-O 3.5Å; T7-Q154 WeakPolarHBondContact CB-O 3.39Å; T7-E157 VanDerWaalsContact CB-OE1 3.28Å; T7-E157 WeakPolarHBondContact CB-OE1 3.4Å; T7-E157 WeakPolarHBondContact CB-OE2 3.45Å; T7-E157 WeakPolarHBondContact CG2-OE2 3.47Å; T7-E157 PolarHBondContact OG1-OE1 3.09Å; T7-E157 PolarHBondContact OG1-OE2 2.85Å
8T89.5Confident88.8Confident36 Ų3653.8 Ų53.822%0.22127%0.273CS..Hα-helixtrans-57.2-44-179-50.60000110.8L10 Q11 E12 Q154 N155T8-L10 VanDerWaalsContact C-N 3.31Å; T8-L10 PolarHBondContact O-N 2.76Å; T8-Q11 PolarHBondContact O-N 3.03Å; T8-E12 HydrophobicContact CG2-CG 4.41Å; T8-E12 WeakPolarHBondContact O-CB 3.34Å; T8-E12 WeakPolarHBondContact O-CG 3.49Å; T8-E12 PolarHBondContact O-N 3.39Å; T8-Q154 PolarHBondContact N-O 2.97Å; T8-Q154 PolarHBondContact OG1-O 3.04Å; T8-N155 VanDerWaalsContact CB-OD1 3.31Å; T8-N155 WeakPolarHBondContact CB-OD1 3.42Å; T8-N155 PolarHBondContact OG1-OD1 3.36Å
9T90.3Very high89.1Confident25 Ų2557 Ų5715%0.15329%0.287CS..Hα-helixtrans-57.8-42.2176.5-51.30000112.2T7 A13 F44T7-T9 VanDerWaalsContact C-N 3.29Å; T7-T9 PolarHBondContact O-N 3.46Å; T9-A13 WeakPolarHBondContact O-CB 3.38Å; T9-A13 PolarHBondContact O-N 2.79Å; T9-F44 HydrophobicContact CG2-CB 4.23Å
10L94.6Very high89.3Confident1 Ų155.9 Ų55.91%0.00528%0.282CS..Hα-helixtrans-71.5-39.2177.9-179.661.6000112.2M6 T7 T8 A13 I14 F38 L107 V112M6-L10 HydrophobicContact CB-CB 4.46Å; M6-L10 HydrophobicContact CB-CD2 4.09Å; M6-L10 HydrophobicContact CB-CG 4.4Å; M6-L10 HydrophobicContact CG-CD2 3.97Å; M6-L10 HydrophobicContact SD-CD2 4.25Å; M6-L10 HydrophobicContact SD-CG 4.41Å; T7-L10 PolarHBondContact O-N 2.87Å; T7-L10 VanDerWaalsContact O-N 3.11Å; T7-L10 WeakPolarHBondContact OG1-CB 3.48Å; T8-L10 VanDerWaalsContact C-N 3.31Å; T8-L10 PolarHBondContact O-N 2.76Å; L10-A13 PolarHBondContact O-N 2.72Å; L10-I14 HydrophobicContact CD1-CD1 4.12Å; L10-I14 HydrophobicContact CD1-CG1 4.32Å; L10-I14 HydrophobicContact CG-CD1 4.09Å; L10-I14 WeakPolarHBondContact O-CG1 3.37Å; L10-I14 PolarHBondContact O-N 3Å; L10-F38 HydrophobicContact CD1-CE1 4.16Å; L10-F38 HydrophobicContact CD1-CZ 3.8Å; L10-L107 HydrophobicContact CD2-CB 4.4Å; L10-L107 HydrophobicContact CD2-CD2 3.99Å; L10-L107 HydrophobicContact CD2-CG 3.77Å; L10-L107 WeakPolarHBondContact CD2-O 3.37Å; L10-V112 HydrophobicContact CD1-CG2 3.97Å; L10-V112 HydrophobicContact CD2-CG2 3.69Å
11Q92.9Very high89.6Confident57 Ų5753.2 Ų53.227%0.26627%0.268SS..Hα-helixtrans-60.7-47.6176.3-68.5178.826.400111.1I3 M6 T7 T8 I14 A15I3-Q11 HydrophobicContact CG2-CG 3.98Å; I3-Q11 PolarHBondContact O-NE2 3.49Å; I3-Q11 VanDerWaalsContact O-NE2 3.08Å; M6-Q11 HydrophobicContact CB-CG 3.71Å; M6-Q11 PolarHBondContact O-NE2 3.02Å; T7-Q11 WeakPolarHBondContact O-CG 3.24Å; T7-Q11 PolarHBondContact O-N 2.9Å; T8-Q11 PolarHBondContact O-N 3.03Å; Q11-I14 PolarHBondContact O-N 3.32Å; Q11-A15 WeakPolarHBondContact O-CB 3.48Å; Q11-A15 PolarHBondContact O-N 3.29Å
12E91.3Very high90.8Very high96 Ų9651.1 Ų51.145%0.44926%0.261SS..Hα-helixtrans-61-46176.9-72175.9167.400110.7T8 I14 A15 E16T8-E12 HydrophobicContact CG2-CG 4.41Å; T8-E12 WeakPolarHBondContact O-CB 3.34Å; T8-E12 WeakPolarHBondContact O-CG 3.49Å; T8-E12 PolarHBondContact O-N 3.39Å; E12-I14 VanDerWaalsContact C-N 3.34Å; E12-I14 PolarHBondContact O-N 3.09Å; E12-A15 PolarHBondContact O-N 3.28Å; E12-A15 VanDerWaalsContact O-N 3.12Å; E12-E16 WeakPolarHBondContact O-CG 3.27Å; E12-E16 PolarHBondContact O-N 3.34Å
13A94.2Very high91.5Very high1 Ų152.3 Ų52.31%0.00827%0.271CS..Hα-helixtrans-60.8-39.5178.700000113.7T9 L10 A17 I37 F38T9-A13 WeakPolarHBondContact O-CB 3.38Å; T9-A13 PolarHBondContact O-N 2.79Å; L10-A13 PolarHBondContact O-N 2.72Å; A13-A17 VanDerWaalsContact O-CB 3.25Å; A13-A17 WeakPolarHBondContact O-CB 3.35Å; A13-A17 PolarHBondContact O-N 2.81Å; A13-I37 HydrophobicContact CB-CB 4.37Å; A13-I37 HydrophobicContact CB-CG2 3.89Å; A13-F38 HydrophobicContact CB-CD1 3.88Å; A13-F38 HydrophobicContact CB-CE1 3.55Å
14I92.9Very high92.2Very high22 Ų2250.8 Ų50.811%0.11326%0.259CS..Hα-helixtrans-68.7-40175.8-67.5169.7000110.8M6 L10 Q11 E12 A17 Q18 L92M6-I14 HydrophobicContact CE-CD1 4.2Å; M6-I14 HydrophobicContact SD-CD1 3.76Å; L10-I14 HydrophobicContact CD1-CD1 4.12Å; L10-I14 HydrophobicContact CD1-CG1 4.32Å; L10-I14 HydrophobicContact CG-CD1 4.09Å; L10-I14 WeakPolarHBondContact O-CG1 3.37Å; L10-I14 PolarHBondContact O-N 3Å; Q11-I14 PolarHBondContact O-N 3.32Å; E12-I14 VanDerWaalsContact C-N 3.34Å; E12-I14 PolarHBondContact O-N 3.09Å; I14-A17 PolarHBondContact O-N 2.88Å; I14-Q18 PolarHBondContact O-N 2.59Å; I14-L92 HydrophobicContact CD1-CD1 4.39Å
15A91.3Very high92.7Very high57 Ų5748.5 Ų48.547%0.47125%0.248SC..Hα-helixtrans-65.6-39.7177.100000112Q11 E12 Q18Q11-A15 WeakPolarHBondContact O-CB 3.48Å; Q11-A15 PolarHBondContact O-N 3.29Å; E12-A15 PolarHBondContact O-N 3.28Å; E12-A15 VanDerWaalsContact O-N 3.12Å; A15-Q18 VanDerWaalsContact O-CB 3.23Å; A15-Q18 WeakPolarHBondContact O-CB 3.41Å; A15-Q18 PolarHBondContact O-N 3.21Å
16E93.9Very high93Very high84 Ų8444.1 Ų44.139%0.39323%0.23SC..Hα-helixtrans-73.6-32.6176.6-70.8-178.5-169.600112.6E12 Q18 Q19 I20 I37E12-E16 WeakPolarHBondContact O-CG 3.27Å; E12-E16 PolarHBondContact O-N 3.34Å; E16-Q18 PolarHBondContact O-N 2.82Å; E16-Q18 VanDerWaalsContact O-N 3.17Å; E16-Q19 WeakPolarHBondContact O-CB 3.39Å; E16-Q19 PolarHBondContact O-N 3.09Å; E16-I20 PolarHBondContact O-N 3.45Å; E16-I37 HydrophobicContact CB-CD1 3.67Å; E16-I37 HydrophobicContact CB-CG1 3.87Å; E16-I37 HydrophobicContact CB-CG2 4.2Å; E16-I37 WeakPolarHBondContact OE2-CG2 3.36Å
17A95.8Very high92.8Very high0 Ų048.4 Ų48.40%025%0.249CC..Hα-helixtrans-58.9-29174.600000112.1A13 I14 Q19 I20 A21 I29 H33 V34 I37A13-A17 VanDerWaalsContact O-CB 3.25Å; A13-A17 WeakPolarHBondContact O-CB 3.35Å; A13-A17 PolarHBondContact O-N 2.81Å; I14-A17 PolarHBondContact O-N 2.88Å; A17-Q19 VanDerWaalsContact C-N 3.29Å; A17-Q19 PolarHBondContact O-N 3.24Å; A17-I20 PolarHBondContact O-N 3.2Å; A17-A21 PolarHBondContact O-N 2.73Å; A17-A21 VanDerWaalsContact O-N 3.13Å; A17-I29 HydrophobicContact CB-CG2 3.9Å; A17-H33 HydrophobicContact CB-CB 3.92Å; A17-V34 HydrophobicContact CB-CB 4.49Å; A17-V34 HydrophobicContact CB-CG2 3.91Å; A17-I37 HydrophobicContact CB-CG1 4.13Å
18Q93.9Very high92.8Very high71 Ų7152.8 Ų52.833%0.33227%0.27SS..Hα-helixtrans-56.9-42.5170.4-178.6168.247.600111.9I14 A15 E16 I20 A21 V22 I29 G81I14-Q18 PolarHBondContact O-N 2.59Å; A15-Q18 VanDerWaalsContact O-CB 3.23Å; A15-Q18 WeakPolarHBondContact O-CB 3.41Å; A15-Q18 PolarHBondContact O-N 3.21Å; E16-Q18 PolarHBondContact O-N 2.82Å; E16-Q18 VanDerWaalsContact O-N 3.17Å; Q18-I20 VanDerWaalsContact C-N 3.3Å; Q18-I20 PolarHBondContact O-N 2.72Å; Q18-A21 PolarHBondContact O-N 2.96Å; Q18-V22 HydrophobicContact CG-CG2 4.33Å; Q18-V22 VanDerWaalsContact O-CG2 3.28Å; Q18-V22 WeakPolarHBondContact O-CG2 3.05Å; Q18-V22 PolarHBondContact O-N 2.89Å; Q18-I29 HydrophobicContact CB-CD1 3.69Å; Q18-I29 HydrophobicContact CB-CG1 4.49Å; Q18-I29 HydrophobicContact CG-CD1 4.21Å; Q18-G81 WeakPolarHBondContact CG-O 3.33Å; Q18-G81 PolarHBondContact NE2-O 3.29Å
19Q93.7Very high93.1Very high115 Ų11551.6 Ų51.654%0.53726%0.262SS..Hα-helixtrans-66.5-34.5-179.6-62.4-60.1-22.700111.9E16 A17 V22 T23E16-Q19 WeakPolarHBondContact O-CB 3.39Å; E16-Q19 PolarHBondContact O-N 3.09Å; A17-Q19 VanDerWaalsContact C-N 3.29Å; A17-Q19 PolarHBondContact O-N 3.24Å; Q19-V22 PolarHBondContact O-N 2.83Å; Q19-T23 WeakPolarHBondContact O-CB 3.41Å; Q19-T23 PolarHBondContact O-N 2.8Å; Q19-T23 PolarHBondContact O-OG1 2.94Å
20I94Very high93.3Very high34 Ų3451.1 Ų51.117%0.17426%0.259CS..Hα-helixtrans-63.6-45.8173.7-53.7-60.7000110.3E16 A17 Q18 V22 T23 R24 H33 K36 I37 L67E16-I20 PolarHBondContact O-N 3.45Å; A17-I20 PolarHBondContact O-N 3.2Å; Q18-I20 VanDerWaalsContact C-N 3.3Å; Q18-I20 PolarHBondContact O-N 2.72Å; I20-V22 PolarHBondContact O-N 2.9Å; I20-T23 PolarHBondContact O-N 3.29Å; I20-R24 WeakPolarHBondContact O-CB 3.47Å; I20-R24 PolarHBondContact O-N 2.65Å; I20-H33 HydrophobicContact CB-CB 4.48Å; I20-K36 HydrophobicContact CD1-CG 4.3Å; I20-K36 HydrophobicContact CG1-CG 4.44Å; I20-K36 HydrophobicContact CG2-CG 4.4Å; I20-I37 HydrophobicContact CD1-CD1 4.11Å; I20-I37 HydrophobicContact CG1-CD1 3.75Å; I20-I37 HydrophobicContact CG1-CG1 4.48Å; I20-L67 HydrophobicContact CG2-CD1 4.17Å
21A94.1Very high93.4Very high0 Ų051.1 Ų51.10%026%0.258CS..Hα-helixtrans-63.2-41.2177.800000111.9A17 Q18 H25 H26 I29 H33A17-A21 PolarHBondContact O-N 2.73Å; A17-A21 VanDerWaalsContact O-N 3.13Å; Q18-A21 PolarHBondContact O-N 2.96Å; A21-H25 PolarHBondContact O-N 3.42Å; A21-H26 HydrophobicContact CB-CB 4.3Å; A21-H26 PolarHBondContact O-N 3.34Å; A21-I29 HydrophobicContact CB-CG1 4.33Å; A21-H33 PolarHBondContact N-CD2 3.12Å
22V91.5Very high93.7Very high51 Ų5148.4 Ų48.431%0.30925%0.246SC..Hα-helixtrans-61.8-48.3175.4171.80000111.4Q18 Q19 I20 R24 H25Q18-V22 HydrophobicContact CG-CG2 4.33Å; Q18-V22 VanDerWaalsContact O-CG2 3.28Å; Q18-V22 WeakPolarHBondContact O-CG2 3.05Å; Q18-V22 PolarHBondContact O-N 2.89Å; Q19-V22 PolarHBondContact O-N 2.83Å; I20-V22 PolarHBondContact O-N 2.9Å; V22-R24 VanDerWaalsContact C-N 3.33Å; V22-R24 PolarHBondContact O-N 3.46Å; V22-H25 PolarHBondContact O-N 3.27Å
23T91.5Very high94Very high106 Ų10643.8 Ų43.865%0.6522%0.224SC*.Hα-helixtrans-64.6-37.7-178.4-57.20000112.1Q19 I20 H25Q19-T23 WeakPolarHBondContact O-CB 3.41Å; Q19-T23 PolarHBondContact O-N 2.8Å; Q19-T23 PolarHBondContact O-OG1 2.94Å; I20-T23 PolarHBondContact O-N 3.29Å; T23-H25 VanDerWaalsContact C-N 3.33Å
24R92.3Very high94.1Very high64 Ų6443.9 Ų43.924%0.24223%0.225CC..THydrogen-bonded Turntrans-87.93.3178.8-69.4178.2164.5-104.77.9113.7I20 V22 H26 D64 D68 T72I20-R24 WeakPolarHBondContact O-CB 3.47Å; I20-R24 PolarHBondContact O-N 2.65Å; V22-R24 VanDerWaalsContact C-N 3.33Å; V22-R24 PolarHBondContact O-N 3.46Å; R24-H26 VanDerWaalsContact C-N 3.3Å; R24-H26 PolarHBondContact O-CD2 2.98Å; R24-H26 PolarHBondContact O-N 2.93Å; R24-D64 IonicContact CZ-OD1 2.93Å; R24-D64 IonicContact NH2-OD1 3.67Å; R24-D64 PolarHBondContact NH2-OD1 3.05Å; R24-D68 IonicContact CZ-OD1 2.81Å; R24-D68 IonicContact NH1-OD1 2.94Å; R24-D68 PolarHBondContact NH1-OD1 3.13Å; R24-D68 IonicContact NH2-OD1 3.94Å; R24-T72 WeakPolarHBondContact O-CG2 3.4Å
25H92.4Very high94.4Very high96 Ų9642.8 Ų42.844%0.44422%0.219SC..THydrogen-bonded Turntrans56.938.3-177.9-58.8-56.8000114.6A21 V22 T23 V73 Y80A21-H25 PolarHBondContact O-N 3.42Å; V22-H25 PolarHBondContact O-N 3.27Å; T23-H25 VanDerWaalsContact C-N 3.33Å; H25-V73 PolarHBondContact O-N 3.37Å; H25-Y80 VanDerWaalsContact C-CD1 3.49Å; H25-Y80 HydrophobicContact CB-CD1 4.18Å; H25-Y80 HydrophobicContact CB-CE1 3.81Å; H25-Y80 AromaticContact ND1-CD2 3.81Å; H25-Y80 AromaticContact ND1-CE2 3.38Å; H25-Y80 WeakPolarHBondContact ND1-CE2 3.5Å; H25-Y80 AromaticContact ND1-CZ 3.58Å
26H94.4Very high94.7Very high7 Ų741.6 Ų41.63%0.03220%0.203CC..  trans-90.6133.1171.9-59153.1000110.4A21 R24 E28 H33 L67 Y70 Y80 G81A21-H26 HydrophobicContact CB-CB 4.3Å; A21-H26 PolarHBondContact O-N 3.34Å; R24-H26 VanDerWaalsContact C-N 3.3Å; R24-H26 PolarHBondContact O-CD2 2.98Å; R24-H26 PolarHBondContact O-N 2.93Å; H26-E28 VanDerWaalsContact C-N 3.33Å; H26-E28 PolarHBondContact O-N 3.18Å; H26-H33 AromaticContact CE1-NE2 3.92Å; H26-H33 AromaticContact CG-NE2 3.69Å; H26-H33 AromaticContact ND1-CE1 3.59Å; H26-H33 AromaticContact ND1-NE2 2.87Å; H26-H33 PolarHBondContact ND1-NE2 3.25Å; H26-L67 PolarHBondContact CE1-O 2.94Å; H26-L67 PolarHBondContact NE2-O 3.1Å; H26-Y70 AromaticContact ND1-CD2 3.98Å; H26-Y80 WeakPolarHBondContact O-CA 3.41Å; H26-Y80 WeakPolarHBondContact O-CB 3.27Å; H26-G81 PolarHBondContact O-N 3.38Å
27Q90.7Very high94.8Very high93 Ų9337.7 Ų37.744%0.43519%0.185SC..SBendtrans-67.5-33.7-179-72.9-172.8-22.700112.9V73 V78 G81Q27-V73 HydrophobicContact CG-CB 4.07Å; Q27-V73 HydrophobicContact CG-CG2 3.86Å; Q27-V78 HydrophobicContact CG-CG1 3.82Å; Q27-G81 PolarHBondContact O-N 3.17Å
28E94.3Very high94.9Very high92 Ų9237.7 Ų37.743%0.4319%0.185SC..EExtended strand (participates in β ladder)trans-120.4146.7-174.8-60.1-177.716800111.4H26 D30 H33 N83 S85H26-E28 VanDerWaalsContact C-N 3.33Å; H26-E28 PolarHBondContact O-N 3.18Å; E28-D30 PolarHBondContact O-N 3.18Å; E28-H33 PolarHBondContact O-CE1 3.2Å; E28-N83 CarbonylContact C-O 3.29Å; E28-N83 VanDerWaalsContact CA-O 3.24Å; E28-N83 WeakPolarHBondContact CA-O 3.41Å; E28-N83 HydrophobicContact CG-CB 4.36Å; E28-S85 VanDerWaalsContact OE2-CA 3.29Å; E28-S85 WeakPolarHBondContact OE2-CA 3.38Å; E28-S85 WeakPolarHBondContact OE2-CB 3.36Å
29I94.8Very high95.1Very high11 Ų1134.3 Ų34.36%0.05617%0.169CC..EExtended strand (participates in β ladder)trans-79.4111.7166.6-49.4175.5000107.5A17 Q18 A21 H33 V34 G81 N83 S85 L88A17-I29 HydrophobicContact CB-CG2 3.9Å; Q18-I29 HydrophobicContact CB-CD1 3.69Å; Q18-I29 HydrophobicContact CB-CG1 4.49Å; Q18-I29 HydrophobicContact CG-CD1 4.21Å; A21-I29 HydrophobicContact CB-CG1 4.33Å; I29-H33 HydrophobicContact CG2-CB 4.07Å; I29-V34 HydrophobicContact CG2-CG2 4.46Å; I29-G81 WeakPolarHBondContact CD1-O 3.44Å; I29-G81 WeakPolarHBondContact CG1-O 3.24Å; I29-N83 PolarHBondContact N-O 3.36Å; I29-S85 PolarHBondContact O-N 3.13Å; I29-L88 HydrophobicContact CB-CD2 4.37Å; I29-L88 HydrophobicContact CG2-CD2 3.86Å; I29-L88 WeakPolarHBondContact O-CD2 3.37Å
30D95.7Very high95.1Very high16 Ų1632.2 Ų32.29%0.08616%0.16CC..  trans-108.6170.6174.6-151.2-16.9000112.1E28 A32 H33 Y70 S85 N87E28-D30 PolarHBondContact O-N 3.18Å; D30-A32 VanDerWaalsContact C-N 3.27Å; D30-A32 PolarHBondContact O-N 3.09Å; D30-A32 VanDerWaalsContact O-N 3.15Å; D30-H33 PolarHBondContact N-ND1 3.18Å; D30-H33 WeakPolarHBondContact O-CB 3.24Å; D30-H33 PolarHBondContact O-N 3.26Å; D30-H33 PolarHBondContact O-ND1 2.91Å; D30-H33 VanDerWaalsContact O-ND1 3.08Å; D30-Y70 HydrophobicContact CB-CE2 3.63Å; D30-Y70 WeakPolarHBondContact CB-OH 3.23Å; D30-Y70 VanDerWaalsContact CG-OH 3.31Å; D30-Y70 PolarHBondContact OD2-OH 3.24Å; D30-S85 PolarHBondContact OD1-OG 2.87Å; D30-S85 PolarHBondContact OD2-OG 3.41Å; D30-N87 VanDerWaalsContact OD1-CB 3.29Å; D30-N87 WeakPolarHBondContact OD1-CB 3.45Å; D30-N87 PolarHBondContact OD2-ND2 2.81Å
31I96.9Very high94.6Very high0 Ų035.2 Ų35.20%018%0.181CC..Hα-helixtrans-49.1-44-174.7-61.4174000112.4H33 V34 W35 N87 L88 L91 L116 L119 Y122I31-H33 PolarHBondContact O-N 2.91Å; I31-V34 PolarHBondContact O-N 3.32Å; I31-W35 HydrophobicContact CG2-CD2 4.35Å; I31-W35 HydrophobicContact CG2-CE3 3.68Å; I31-W35 HydrophobicContact CG2-CZ3 3.91Å; I31-W35 PolarHBondContact O-N 3.36Å; I31-N87 HydrophobicContact CD1-CB 4Å; I31-N87 HydrophobicContact CG1-CB 4.36Å; I31-L88 HydrophobicContact CG1-CB 4.1Å; I31-L88 HydrophobicContact CG1-CD1 4.28Å; I31-L91 HydrophobicContact CD1-CB 4.15Å; I31-L91 HydrophobicContact CD1-CD2 4.08Å; I31-L91 HydrophobicContact CG1-CB 4.39Å; I31-L91 HydrophobicContact CG1-CD2 3.88Å; I31-L91 HydrophobicContact CG2-CD2 4.01Å; I31-L116 HydrophobicContact CG2-CD1 3.68Å; I31-L119 HydrophobicContact CD1-CD1 3.52Å; I31-Y122 HydrophobicContact CB-CE1 4.19Å; I31-Y122 HydrophobicContact CD1-CE1 4.38Å; I31-Y122 HydrophobicContact CD1-CE2 4.26Å; I31-Y122 HydrophobicContact CG2-CE1 3.78Å
32A97.4Very high93.9Very high0 Ų042.5 Ų42.50%022%0.22CC..Hα-helixtrans-63.4-27.8-177.700000113D30 W35 K36 V63 V66 L67 Y70D30-A32 VanDerWaalsContact C-N 3.27Å; D30-A32 PolarHBondContact O-N 3.09Å; D30-A32 VanDerWaalsContact O-N 3.15Å; A32-W35 PolarHBondContact O-N 3.39Å; A32-K36 WeakPolarHBondContact O-CB 3.28Å; A32-K36 PolarHBondContact O-N 3.24Å; A32-V63 HydrophobicContact CB-CG1 4.27Å; A32-V63 WeakPolarHBondContact O-CG1 3.37Å; A32-V66 HydrophobicContact CB-CB 4.18Å; A32-V66 HydrophobicContact CB-CG1 3.78Å; A32-L67 HydrophobicContact CB-CD2 3.75Å; A32-L67 HydrophobicContact CB-CG 3.83Å; A32-Y70 HydrophobicContact CB-CE2 3.92Å
33H97.9Very high93.9Very high0 Ų041.3 Ų41.30%021%0.211CC..Hα-helixtrans-68.6-43.7175.7-5589000111.2A17 I20 A21 H26 E28 I29 D30 I31 W35 K36 I37 L67 Y70A17-H33 HydrophobicContact CB-CB 3.92Å; I20-H33 HydrophobicContact CB-CB 4.48Å; A21-H33 PolarHBondContact N-CD2 3.12Å; H26-H33 AromaticContact CE1-NE2 3.92Å; H26-H33 AromaticContact CG-NE2 3.69Å; H26-H33 AromaticContact ND1-CE1 3.59Å; H26-H33 AromaticContact ND1-NE2 2.87Å; H26-H33 PolarHBondContact ND1-NE2 3.25Å; E28-H33 PolarHBondContact O-CE1 3.2Å; I29-H33 HydrophobicContact CG2-CB 4.07Å; D30-H33 PolarHBondContact N-ND1 3.18Å; D30-H33 WeakPolarHBondContact O-CB 3.24Å; D30-H33 PolarHBondContact O-N 3.26Å; D30-H33 PolarHBondContact O-ND1 2.91Å; D30-H33 VanDerWaalsContact O-ND1 3.08Å; I31-H33 PolarHBondContact O-N 2.91Å; H33-W35 VanDerWaalsContact C-N 3.33Å; H33-K36 WeakPolarHBondContact O-CB 3.45Å; H33-K36 PolarHBondContact O-N 3.48Å; H33-I37 PolarHBondContact O-N 3.07Å; H33-L67 VanDerWaalsContact CD2-CD2 3.49Å; H33-L67 WeakPolarHBondContact CD2-CD2 3.37Å; H33-Y70 AromaticContact CE1-CD2 3.59Å; H33-Y70 AromaticContact CE1-CE2 3.59Å; H33-Y70 AromaticContact ND1-CE2 3.93Å
34V97.6Very high93.8Very high2 Ų237.7 Ų37.71%0.01219%0.187CC..Hα-helixtrans-64.4-42.3175.9-179.10000110.1A17 I29 I31 K36 I37 F38 L88A17-V34 HydrophobicContact CB-CB 4.49Å; A17-V34 HydrophobicContact CB-CG2 3.91Å; I29-V34 HydrophobicContact CG2-CG2 4.46Å; I31-V34 PolarHBondContact O-N 3.32Å; V34-K36 VanDerWaalsContact C-N 3.29Å; V34-K36 PolarHBondContact O-N 3.43Å; V34-I37 PolarHBondContact O-N 2.92Å; V34-I37 VanDerWaalsContact O-N 3.13Å; V34-F38 HydrophobicContact CG1-CD1 4.13Å; V34-F38 HydrophobicContact CG1-CD2 4.48Å; V34-F38 HydrophobicContact CG1-CE1 3.67Å; V34-F38 HydrophobicContact CG1-CE2 4.04Å; V34-F38 HydrophobicContact CG1-CZ 3.6Å; V34-F38 PolarHBondContact O-N 3.06Å; V34-L88 HydrophobicContact CG2-CD1 4.02Å; V34-L88 HydrophobicContact CG2-CD2 3.77Å
35W98Very high93.8Very high0 Ų034.7 Ų34.70%018%0.175CC..Hα-helixtrans-64.4-33.7176.3-104.5-105.8000113.1I31 A32 H33 I37 F38 L39 Y49 F59 V63 L91 V112 I113 L116 L124I31-W35 HydrophobicContact CG2-CD2 4.35Å; I31-W35 HydrophobicContact CG2-CE3 3.68Å; I31-W35 HydrophobicContact CG2-CZ3 3.91Å; I31-W35 PolarHBondContact O-N 3.36Å; A32-W35 PolarHBondContact O-N 3.39Å; H33-W35 VanDerWaalsContact C-N 3.33Å; W35-I37 VanDerWaalsContact C-N 3.25Å; W35-I37 PolarHBondContact O-N 2.74Å; W35-F38 HydrophobicContact CD2-CD2 4.08Å; W35-F38 HydrophobicContact CE3-CD2 4.13Å; W35-F38 HydrophobicContact CE3-CE2 4.22Å; W35-F38 HydrophobicContact CH2-CD2 4.38Å; W35-F38 HydrophobicContact CH2-CE2 4.05Å; W35-F38 HydrophobicContact CZ2-CD2 4.31Å; W35-F38 HydrophobicContact CZ2-CE2 4.37Å; W35-F38 HydrophobicContact CZ3-CD2 4.28Å; W35-F38 AromaticContact CZ3-CE2 3.95Å; W35-F38 HydrophobicContact CZ3-CE2 3.95Å; W35-F38 PolarHBondContact O-N 3.11Å; W35-F38 VanDerWaalsContact O-N 3.15Å; W35-L39 VanDerWaalsContact O-CG 3.3Å; W35-L39 WeakPolarHBondContact O-CG 3.37Å; W35-L39 PolarHBondContact O-N 3.04Å; W35-Y49 AromaticContact NE1-CE2 3.79Å; W35-Y49 AromaticContact NE1-CZ 3.66Å; W35-Y49 PolarHBondContact NE1-OH 3.11Å; W35-F59 AromaticContact CD1-CE1 3.74Å; W35-F59 AromaticContact CD1-CZ 3.6Å; W35-F59 AromaticContact NE1-CE1 3.95Å; W35-F59 AromaticContact NE1-CZ 3.82Å; W35-V63 HydrophobicContact CB-CG1 4.24Å; W35-V63 HydrophobicContact CB-CG2 4.01Å; W35-L91 HydrophobicContact CH2-CD2 4.01Å; W35-L91 HydrophobicContact CZ3-CD2 3.65Å; W35-V112 HydrophobicContact CH2-CG1 3.94Å; W35-V112 HydrophobicContact CZ3-CG1 4.01Å; W35-I113 HydrophobicContact CZ2-CG1 4.12Å; W35-L116 HydrophobicContact CD2-CD2 4.41Å; W35-L116 HydrophobicContact CH2-CB 3.69Å; W35-L116 HydrophobicContact CH2-CD1 4.12Å; W35-L116 HydrophobicContact CH2-CD2 4.17Å; W35-L116 HydrophobicContact CH2-CG 4.18Å; W35-L116 HydrophobicContact CZ2-CB 3.58Å; W35-L116 HydrophobicContact CZ2-CD1 4.15Å; W35-L116 HydrophobicContact CZ2-CD2 3.39Å; W35-L116 HydrophobicContact CZ2-CG 3.85Å; W35-L116 HydrophobicContact CZ3-CD1 4.47Å; W35-L124 HydrophobicContact CB-CD1 3.93Å; W35-L124 HydrophobicContact CD2-CD1 4.49Å; W35-L124 HydrophobicContact CG-CD1 3.84Å
36K97.4Very high93.9Very high32 Ų3232.2 Ų32.214%0.13916%0.162CC..Hα-helixtrans-61.2-37.4174.2-172.561.2172.11800111.5I20 A32 H33 V34 E60 V63 D64 L67I20-K36 HydrophobicContact CD1-CG 4.3Å; I20-K36 HydrophobicContact CG1-CG 4.44Å; I20-K36 HydrophobicContact CG2-CG 4.4Å; A32-K36 WeakPolarHBondContact O-CB 3.28Å; A32-K36 PolarHBondContact O-N 3.24Å; H33-K36 WeakPolarHBondContact O-CB 3.45Å; H33-K36 PolarHBondContact O-N 3.48Å; V34-K36 VanDerWaalsContact C-N 3.29Å; V34-K36 PolarHBondContact O-N 3.43Å; K36-E60 HydrophobicContact CD-CG 4.25Å; K36-E60 IonicContact NZ-OE1 3.78Å; K36-E60 PolarHBondContact NZ-OE1 3.05Å; K36-V63 HydrophobicContact CB-CG1 4.03Å; K36-V63 HydrophobicContact CD-CG1 4.46Å; K36-D64 VanDerWaalsContact CE-OD1 3.29Å; K36-D64 WeakPolarHBondContact CE-OD1 3.18Å; K36-D64 VanDerWaalsContact NZ-CG 3.26Å; K36-D64 IonicContact NZ-OD1 2.7Å; K36-D64 PolarHBondContact NZ-OD1 2.88Å; K36-D64 IonicContact NZ-OD2 4Å; K36-D64 PolarHBondContact NZ-OD2 3.28Å; K36-L67 HydrophobicContact CB-CD1 4.12Å; K36-L67 HydrophobicContact CG-CD1 4.28Å
37I96.8Very high93.6Very high2 Ų235.9 Ų35.91%0.0118%0.182CC..Hα-helixtrans-71.3-43.2172.3-54.2-54.5000111.1A13 E16 A17 I20 H33 V34 W35 L39 Q40A13-I37 HydrophobicContact CB-CB 4.37Å; A13-I37 HydrophobicContact CB-CG2 3.89Å; E16-I37 HydrophobicContact CB-CD1 3.67Å; E16-I37 HydrophobicContact CB-CG1 3.87Å; E16-I37 HydrophobicContact CB-CG2 4.2Å; E16-I37 WeakPolarHBondContact OE2-CG2 3.36Å; A17-I37 HydrophobicContact CB-CG1 4.13Å; I20-I37 HydrophobicContact CD1-CD1 4.11Å; I20-I37 HydrophobicContact CG1-CD1 3.75Å; I20-I37 HydrophobicContact CG1-CG1 4.48Å; H33-I37 PolarHBondContact O-N 3.07Å; V34-I37 PolarHBondContact O-N 2.92Å; V34-I37 VanDerWaalsContact O-N 3.13Å; W35-I37 VanDerWaalsContact C-N 3.25Å; W35-I37 PolarHBondContact O-N 2.74Å; I37-L39 PolarHBondContact O-N 2.88Å; I37-L39 VanDerWaalsContact O-N 3.08Å; I37-Q40 WeakPolarHBondContact O-CB 3.37Å; I37-Q40 PolarHBondContact O-N 3.29Å
38F97.8Very high93.8Very high0 Ų031.9 Ų31.90%016%0.163CC..Hα-helixtrans-57.1-30.4-179.6-75.10.4000113.7L10 A13 V34 W35 H43 G45 R46 T109 V112 I113L10-F38 HydrophobicContact CD1-CE1 4.16Å; L10-F38 HydrophobicContact CD1-CZ 3.8Å; A13-F38 HydrophobicContact CB-CD1 3.88Å; A13-F38 HydrophobicContact CB-CE1 3.55Å; V34-F38 HydrophobicContact CG1-CD1 4.13Å; V34-F38 HydrophobicContact CG1-CD2 4.48Å; V34-F38 HydrophobicContact CG1-CE1 3.67Å; V34-F38 HydrophobicContact CG1-CE2 4.04Å; V34-F38 HydrophobicContact CG1-CZ 3.6Å; V34-F38 PolarHBondContact O-N 3.06Å; W35-F38 HydrophobicContact CD2-CD2 4.08Å; W35-F38 HydrophobicContact CE3-CD2 4.13Å; W35-F38 HydrophobicContact CE3-CE2 4.22Å; W35-F38 HydrophobicContact CH2-CD2 4.38Å; W35-F38 HydrophobicContact CH2-CE2 4.05Å; W35-F38 HydrophobicContact CZ2-CD2 4.31Å; W35-F38 HydrophobicContact CZ2-CE2 4.37Å; W35-F38 HydrophobicContact CZ3-CD2 4.28Å; W35-F38 AromaticContact CZ3-CE2 3.95Å; W35-F38 HydrophobicContact CZ3-CE2 3.95Å; W35-F38 PolarHBondContact O-N 3.11Å; W35-F38 VanDerWaalsContact O-N 3.15Å; F38-H43 WeakPolarHBondContact CA-ND1 3.41Å; F38-H43 AromaticContact CD1-CE1 3.31Å; F38-H43 WeakPolarHBondContact CD1-CE1 2.97Å; F38-H43 AromaticContact CD1-NE2 3.85Å; F38-H43 AromaticContact CE1-CE1 3.92Å; F38-H43 PolarHBondContact O-ND1 2.94Å; F38-G45 CarbonylContact O-C 3.58Å; F38-G45 VanDerWaalsContact O-C 3.28Å; F38-G45 WeakPolarHBondContact O-CA 3.35Å; F38-R46 PolarHBondContact O-N 3.29Å; F38-T109 HydrophobicContact CD1-CG2 4.18Å; F38-T109 HydrophobicContact CD2-CG2 4.3Å; F38-T109 HydrophobicContact CE1-CG2 3.74Å; F38-T109 HydrophobicContact CE2-CG2 3.91Å; F38-T109 HydrophobicContact CG-CG2 4.43Å; F38-T109 HydrophobicContact CZ-CG2 3.61Å; F38-V112 HydrophobicContact CE2-CG1 4.18Å; F38-V112 HydrophobicContact CZ-CG1 4.31Å; F38-I113 HydrophobicContact CD2-CD1 4.46Å; F38-I113 HydrophobicContact CD2-CG1 4.11Å; F38-I113 HydrophobicContact CE2-CG1 4.09Å
39L97.1Very high93.9Very high0 Ų027.5 Ų27.50%014%0.143CC..THydrogen-bonded Turntrans-92.93.7-179-58.7176.9000113.9W35 I37 R46 Y49 V56 F59 E60 V63W35-L39 VanDerWaalsContact O-CG 3.3Å; W35-L39 WeakPolarHBondContact O-CG 3.37Å; W35-L39 PolarHBondContact O-N 3.04Å; I37-L39 PolarHBondContact O-N 2.88Å; I37-L39 VanDerWaalsContact O-N 3.08Å; L39-R46 WeakPolarHBondContact O-CD 3.33Å; L39-R46 PolarHBondContact O-NH1 3.47Å; L39-Y49 HydrophobicContact CD2-CD2 3.57Å; L39-Y49 HydrophobicContact CD2-CE2 4.08Å; L39-Y49 HydrophobicContact CD2-CG 4.39Å; L39-V56 HydrophobicContact CB-CG1 4.2Å; L39-V56 HydrophobicContact CD2-CG1 3.68Å; L39-V56 HydrophobicContact CG-CG1 4.41Å; L39-F59 HydrophobicContact CD1-CB 4.46Å; L39-F59 HydrophobicContact CD1-CD1 3.69Å; L39-F59 HydrophobicContact CD1-CE1 4.08Å; L39-F59 HydrophobicContact CD1-CG 4.09Å; L39-F59 HydrophobicContact CD2-CD1 3.65Å; L39-F59 HydrophobicContact CD2-CE1 3.97Å; L39-F59 HydrophobicContact CG-CD1 4.31Å; L39-E60 HydrophobicContact CB-CB 4.49Å; L39-E60 HydrophobicContact CD1-CB 4.05Å; L39-V63 HydrophobicContact CD1-CG2 3.71Å
40Q93.5Very high93.7Very high71 Ų7130.6 Ų30.633%0.33216%0.162SC..SBendtrans-65.1153.8174.9-74.2-1734.300112.2I37 N42 H43 R46I37-Q40 WeakPolarHBondContact O-CB 3.37Å; I37-Q40 PolarHBondContact O-N 3.29Å; Q40-N42 PolarHBondContact O-N 3.44Å; Q40-H43 HydrophobicContact CB-CB 4.45Å; Q40-H43 WeakPolarHBondContact O-CB 3.42Å; Q40-H43 PolarHBondContact O-N 2.85Å; Q40-R46 WeakPolarHBondContact O-CB 3.47Å; Q40-R46 VanDerWaalsContact O-CD 3.3Å; Q40-R46 WeakPolarHBondContact O-CD 3.32Å
41P85.6Confident93.3Very high96 Ų9634.7 Ų34.762%0.62318%0.184SC*.THydrogen-bonded Turntrans-51.2138.5173.2-25.834.8000112H43P41-H43 PolarHBondContact O-N 3.31Å; P41-H43 VanDerWaalsContact O-N 3.08Å
42N79Confident93.1Very high154 Ų15435.9 Ų35.982%0.82419%0.193SC*.THydrogen-bonded Turntrans64.3-0.9-179-52.3-36.3000116.5Q40Q40-N42 PolarHBondContact O-N 3.44Å
43H90.7Very high92.8Very high25 Ų2539 Ų3912%0.11623%0.225CC..  trans-73.4140.9174.6-170-82.4000110.8F38 Q40 P41 G45 R46 N47F38-H43 WeakPolarHBondContact CA-ND1 3.41Å; F38-H43 AromaticContact CD1-CE1 3.31Å; F38-H43 WeakPolarHBondContact CD1-CE1 2.97Å; F38-H43 AromaticContact CD1-NE2 3.85Å; F38-H43 AromaticContact CE1-CE1 3.92Å; F38-H43 PolarHBondContact O-ND1 2.94Å; Q40-H43 HydrophobicContact CB-CB 4.45Å; Q40-H43 WeakPolarHBondContact O-CB 3.42Å; Q40-H43 PolarHBondContact O-N 2.85Å; P41-H43 PolarHBondContact O-N 3.31Å; P41-H43 VanDerWaalsContact O-N 3.08Å; H43-G45 VanDerWaalsContact C-N 3.26Å; H43-G45 PolarHBondContact ND1-N 3.46Å; H43-G45 PolarHBondContact O-N 3.48Å; H43-R46 WeakPolarHBondContact O-CB 3.21Å; H43-R46 PolarHBondContact O-N 3.18Å; H43-N47 PolarHBondContact O-N 3.24Å
44F89.9Confident92.7Very high31 Ų3139.4 Ų39.414%0.13623%0.228CC..Hα-helixtrans-52.2-43.6-179.5169.8-90.8000112.7T9 R46 N47 F48 T109 E110 M145 E157 Y160T9-F44 HydrophobicContact CG2-CB 4.23Å; F44-R46 VanDerWaalsContact C-N 3.34Å; F44-R46 PolarHBondContact O-N 3.26Å; F44-N47 PolarHBondContact O-N 3.46Å; F44-F48 HydrophobicContact CE1-CB 4.47Å; F44-F48 HydrophobicContact CZ-CD2 4.47Å; F44-F48 PolarHBondContact O-N 2.99Å; F44-T109 HydrophobicContact CD1-CG2 3.69Å; F44-T109 HydrophobicContact CE1-CG2 4.21Å; F44-E110 HydrophobicContact CE1-CB 3.89Å; F44-E110 HydrophobicContact CZ-CB 4.1Å; F44-M145 HydrophobicContact CE2-CE 4.25Å; F44-M145 HydrophobicContact CE2-SD 3.65Å; F44-M145 HydrophobicContact CZ-CE 3.74Å; F44-M145 HydrophobicContact CZ-SD 3.55Å; F44-M145 VanDerWaalsContact CZ-SD 3.55Å; F44-E157 HydrophobicContact CD1-CG 4.26Å; F44-E157 HydrophobicContact CD2-CB 3.96Å; F44-E157 HydrophobicContact CD2-CG 4.2Å; F44-E157 HydrophobicContact CE1-CG 4.41Å; F44-E157 HydrophobicContact CE2-CB 4.36Å; F44-E157 HydrophobicContact CE2-CG 4.36Å; F44-E157 HydrophobicContact CG-CB 4.21Å; F44-E157 HydrophobicContact CG-CG 4.16Å; F44-E157 HydrophobicContact CZ-CG 4.46Å; F44-Y160 AromaticContact CE2-CD2 3.83Å; F44-Y160 HydrophobicContact CE2-CD2 3.83Å; F44-Y160 HydrophobicContact CE2-CE2 4.41Å; F44-Y160 HydrophobicContact CZ-CD2 4.32Å
45G92.6Very high92.5Very high0 Ų042.6 Ų42.60%025%0.245CC..Hα-helixtrans-56.5-41177.300000113.8F38 H43 F48 Y49F38-G45 CarbonylContact O-C 3.58Å; F38-G45 VanDerWaalsContact O-C 3.28Å; F38-G45 WeakPolarHBondContact O-CA 3.35Å; H43-G45 VanDerWaalsContact C-N 3.26Å; H43-G45 PolarHBondContact ND1-N 3.46Å; H43-G45 PolarHBondContact O-N 3.48Å; G45-F48 PolarHBondContact O-N 3.22Å; G45-Y49 WeakPolarHBondContact O-CD2 3.37Å; G45-Y49 PolarHBondContact O-N 3Å; G45-Y49 VanDerWaalsContact O-N 3.08Å
46R93.6Very high92.3Very high44 Ų4443 Ų4317%0.16625%0.247CC..Hα-helixtrans-62.3-49.9178.4179.9170-1701091.4110.1F38 L39 Q40 H43 F44 F48 Y49 T50 V56 D57 E60F38-R46 PolarHBondContact O-N 3.29Å; L39-R46 WeakPolarHBondContact O-CD 3.33Å; L39-R46 PolarHBondContact O-NH1 3.47Å; Q40-R46 WeakPolarHBondContact O-CB 3.47Å; Q40-R46 VanDerWaalsContact O-CD 3.3Å; Q40-R46 WeakPolarHBondContact O-CD 3.32Å; H43-R46 WeakPolarHBondContact O-CB 3.21Å; H43-R46 PolarHBondContact O-N 3.18Å; F44-R46 VanDerWaalsContact C-N 3.34Å; F44-R46 PolarHBondContact O-N 3.26Å; R46-F48 VanDerWaalsContact C-N 3.3Å; R46-F48 PolarHBondContact O-N 3.21Å; R46-Y49 PolarHBondContact O-N 3.43Å; R46-Y49 VanDerWaalsContact O-N 3.17Å; R46-T50 PolarHBondContact O-N 3.33Å; R46-T50 PolarHBondContact O-OG1 2.88Å; R46-T50 VanDerWaalsContact O-OG1 3.06Å; R46-V56 HydrophobicContact CB-CG1 4.49Å; R46-V56 HydrophobicContact CG-CB 4.43Å; R46-V56 HydrophobicContact CG-CG1 3.69Å; R46-V56 HydrophobicContact CG-CG2 4.37Å; R46-D57 IonicContact CZ-OD1 2.8Å; R46-D57 IonicContact NH1-OD1 3.22Å; R46-D57 IonicContact NH2-OD1 2.72Å; R46-D57 PolarHBondContact NH2-OD1 3.15Å; R46-E60 IonicContact NH1-OE2 3.17Å
47N88.8Confident92.2Very high85 Ų8545.5 Ų45.546%0.45526%0.262SS..Hα-helixtrans-60.3-41.4178.5-64.9-12000111.5H43 F44 Y49 T50 D51H43-N47 PolarHBondContact O-N 3.24Å; F44-N47 PolarHBondContact O-N 3.46Å; N47-Y49 VanDerWaalsContact C-N 3.35Å; N47-Y49 PolarHBondContact O-N 3.37Å; N47-T50 PolarHBondContact O-N 3.03Å; N47-D51 WeakPolarHBondContact O-CB 3.46Å; N47-D51 PolarHBondContact O-N 2.95Å
48F93.5Very high92.1Very high9 Ų949.7 Ų49.74%0.03928%0.282CS..Hα-helixtrans-58.9-45175.9-177.1-86.5000112.2F44 G45 R46 A52 I113 V138 N141 I142 M145F44-F48 HydrophobicContact CE1-CB 4.47Å; F44-F48 HydrophobicContact CZ-CD2 4.47Å; F44-F48 PolarHBondContact O-N 2.99Å; G45-F48 PolarHBondContact O-N 3.22Å; R46-F48 VanDerWaalsContact C-N 3.3Å; R46-F48 PolarHBondContact O-N 3.21Å; F48-A52 VanDerWaalsContact O-CB 3.32Å; F48-A52 WeakPolarHBondContact O-CB 3.37Å; F48-A52 PolarHBondContact O-N 2.68Å; F48-I113 HydrophobicContact CB-CD1 4.47Å; F48-I113 HydrophobicContact CD1-CD1 4.1Å; F48-I113 HydrophobicContact CD1-CG2 4.12Å; F48-I113 HydrophobicContact CE1-CG2 3.83Å; F48-I113 HydrophobicContact CG-CD1 4.36Å; F48-V138 HydrophobicContact CE1-CG1 4.08Å; F48-V138 HydrophobicContact CZ-CG1 3.97Å; F48-N141 HydrophobicContact CE2-CB 3.98Å; F48-N141 HydrophobicContact CZ-CB 3.83Å; F48-I142 HydrophobicContact CE2-CG1 3.69Å; F48-I142 HydrophobicContact CZ-CD1 4.45Å; F48-I142 HydrophobicContact CZ-CG1 3.81Å; F48-M145 HydrophobicContact CD2-SD 4.28Å
49Y96.6Very high92.1Very high0 Ų049.7 Ų49.70%028%0.282CS..Hα-helixtrans-69.3-37.8177.6-75.8-62.6000112.8W35 L39 G45 R46 N47 A52 G53 I54 F59 I113 L128 L133W35-Y49 AromaticContact NE1-CE2 3.79Å; W35-Y49 AromaticContact NE1-CZ 3.66Å; W35-Y49 PolarHBondContact NE1-OH 3.11Å; L39-Y49 HydrophobicContact CD2-CD2 3.57Å; L39-Y49 HydrophobicContact CD2-CE2 4.08Å; L39-Y49 HydrophobicContact CD2-CG 4.39Å; G45-Y49 WeakPolarHBondContact O-CD2 3.37Å; G45-Y49 PolarHBondContact O-N 3Å; G45-Y49 VanDerWaalsContact O-N 3.08Å; R46-Y49 PolarHBondContact O-N 3.43Å; R46-Y49 VanDerWaalsContact O-N 3.17Å; N47-Y49 VanDerWaalsContact C-N 3.35Å; N47-Y49 PolarHBondContact O-N 3.37Å; Y49-A52 CarbonylContact O-C 3.58Å; Y49-A52 WeakPolarHBondContact O-CB 3.26Å; Y49-A52 PolarHBondContact O-N 2.86Å; Y49-G53 PolarHBondContact O-N 3.38Å; Y49-I54 HydrophobicContact CD1-CG1 4.27Å; Y49-I54 WeakPolarHBondContact O-CB 3.27Å; Y49-I54 PolarHBondContact O-N 2.75Å; Y49-F59 HydrophobicContact CD1-CD1 4.47Å; Y49-F59 HydrophobicContact CD1-CE1 4.21Å; Y49-F59 HydrophobicContact CD2-CD1 4.32Å; Y49-F59 HydrophobicContact CD2-CE1 4.04Å; Y49-F59 AromaticContact CE1-CE1 3.92Å; Y49-F59 HydrophobicContact CE1-CE1 3.92Å; Y49-F59 HydrophobicContact CE2-CD1 4.47Å; Y49-F59 AromaticContact CE2-CE1 3.74Å; Y49-F59 HydrophobicContact CE2-CE1 3.74Å; Y49-F59 HydrophobicContact CG-CD1 4.34Å; Y49-F59 HydrophobicContact CG-CE1 4.27Å; Y49-F59 AromaticContact CZ-CE1 3.67Å; Y49-I113 HydrophobicContact CE1-CG2 4.3Å; Y49-I113 HydrophobicContact CE2-CD1 4.11Å; Y49-I113 HydrophobicContact CE2-CG1 4.38Å; Y49-I113 WeakPolarHBondContact OH-CG2 3.35Å; Y49-L128 HydrophobicContact CD1-CD2 4.17Å; Y49-L128 HydrophobicContact CE1-CD1 3.83Å; Y49-L128 HydrophobicContact CE1-CD2 3.84Å; Y49-L133 HydrophobicContact CD1-CD2 3.84Å; Y49-L133 HydrophobicContact CE1-CD2 3.92Å
50T91.4Very high92Very high75 Ų7551.8 Ų51.846%0.4629%0.291SS..Hα-helixtrans-61-48.6173.8-57.40000111.4R46 N47 A52 G53 V56R46-T50 PolarHBondContact O-N 3.33Å; R46-T50 PolarHBondContact O-OG1 2.88Å; R46-T50 VanDerWaalsContact O-OG1 3.06Å; N47-T50 PolarHBondContact O-N 3.03Å; T50-A52 PolarHBondContact O-N 2.64Å; T50-G53 WeakPolarHBondContact O-CA 3.42Å; T50-G53 PolarHBondContact O-N 3.37Å; T50-V56 WeakPolarHBondContact OG1-CG2 3.43Å
51D87Confident92.2Very high103 Ų10356.6 Ų56.655%0.55131%0.306SS*.Hα-helixtrans-61.6-31176.8-77.9-1.5000112N47 G53 K161N47-D51 WeakPolarHBondContact O-CB 3.46Å; N47-D51 PolarHBondContact O-N 2.95Å; D51-G53 PolarHBondContact O-N 2.97Å; D51-K161 IonicContact OD2-NZ 3.9Å; D51-K161 PolarHBondContact OD2-NZ 2.73Å
52A92.4Very high92.7Very high24 Ų2454 Ų5420%0.19829%0.286CS..THydrogen-bonded Turntrans-76.4-1.5174.300000114F48 Y49 T50 L133 N141F48-A52 VanDerWaalsContact O-CB 3.32Å; F48-A52 WeakPolarHBondContact O-CB 3.37Å; F48-A52 PolarHBondContact O-N 2.68Å; Y49-A52 CarbonylContact O-C 3.58Å; Y49-A52 WeakPolarHBondContact O-CB 3.26Å; Y49-A52 PolarHBondContact O-N 2.86Å; T50-A52 PolarHBondContact O-N 2.64Å; A52-L133 HydrophobicContact CB-CD1 3.88Å; A52-L133 HydrophobicContact CB-CD2 3.91Å; A52-N141 WeakPolarHBondContact CA-ND2 3.29Å; A52-N141 WeakPolarHBondContact CB-ND2 3.39Å
53G91.4Very high93.6Very high65 Ų6546.6 Ų46.667%0.6725%0.246SC*.THydrogen-bonded Turntrans8215.5178.500000114.9Y49 T50 D51Y49-G53 PolarHBondContact O-N 3.38Å; T50-G53 WeakPolarHBondContact O-CA 3.42Å; T50-G53 PolarHBondContact O-N 3.37Å; D51-G53 PolarHBondContact O-N 2.97Å
54I95.3Very high93.9Very high10 Ų1047.1 Ų47.15%0.05125%0.25CC..  trans-83.2133.9176.3-62.6-60.6000110.3Y49 V56 F59 L128 Q131 L133Y49-I54 HydrophobicContact CD1-CG1 4.27Å; Y49-I54 WeakPolarHBondContact O-CB 3.27Å; Y49-I54 PolarHBondContact O-N 2.75Å; I54-V56 WeakPolarHBondContact O-CG2 3.44Å; I54-V56 PolarHBondContact O-N 2.62Å; I54-F59 HydrophobicContact CG2-CB 3.91Å; I54-F59 HydrophobicContact CG2-CD1 4.31Å; I54-F59 HydrophobicContact CG2-CG 4.3Å; I54-L128 HydrophobicContact CD1-CD2 4.25Å; I54-L128 HydrophobicContact CG1-CD2 4.22Å; I54-Q131 HydrophobicContact CD1-CB 3.52Å; I54-Q131 HydrophobicContact CD1-CG 4.41Å; I54-L133 HydrophobicContact CD1-CB 3.77Å; I54-L133 HydrophobicContact CD1-CD2 4.28Å; I54-L133 HydrophobicContact CG1-CB 4.2Å; I54-L133 HydrophobicContact CG1-CD2 3.77Å
55D94.4Very high94.2Very high69 Ų6951.1 Ų51.137%0.36927%0.267SS..  trans-67.897.8164.4-176.7-27.2000108.7D57 Q58 F59D55-D57 VanDerWaalsContact C-N 3.3Å; D55-D57 PolarHBondContact O-N 2.9Å; D55-D57 PolarHBondContact OD1-N 3.36Å; D55-Q58 HydrophobicContact CB-CB 4.12Å; D55-Q58 HydrophobicContact CB-CG 4.28Å; D55-Q58 PolarHBondContact O-N 3.12Å; D55-Q58 PolarHBondContact OD1-N 3.47Å; D55-Q58 VanDerWaalsContact OD2-CD 3.26Å; D55-Q58 VanDerWaalsContact OD2-CG 3.32Å; D55-Q58 WeakPolarHBondContact OD2-CG 3.13Å; D55-Q58 PolarHBondContact OD2-NE2 2.91Å; D55-F59 PolarHBondContact O-N 2.88Å
56V94.1Very high94.3Very high7 Ų751.4 Ų51.44%0.04227%0.269CS..Hα-helixtrans-66.8-33.3-173.6-172.40000111.5L39 R46 T50 I54 F59 E60L39-V56 HydrophobicContact CB-CG1 4.2Å; L39-V56 HydrophobicContact CD2-CG1 3.68Å; L39-V56 HydrophobicContact CG-CG1 4.41Å; R46-V56 HydrophobicContact CB-CG1 4.49Å; R46-V56 HydrophobicContact CG-CB 4.43Å; R46-V56 HydrophobicContact CG-CG1 3.69Å; R46-V56 HydrophobicContact CG-CG2 4.37Å; T50-V56 WeakPolarHBondContact OG1-CG2 3.43Å; I54-V56 WeakPolarHBondContact O-CG2 3.44Å; I54-V56 PolarHBondContact O-N 2.62Å; V56-F59 PolarHBondContact O-N 3.36Å; V56-E60 WeakPolarHBondContact O-CB 3.39Å; V56-E60 PolarHBondContact O-N 3.25Å
57D94.2Very high94.4Very high85 Ų8549.3 Ų49.346%0.45526%0.261SS..Hα-helixtrans-68.9-37.9179-65-28.4000110.8R46 D55 R61R46-D57 IonicContact CZ-OD1 2.8Å; R46-D57 IonicContact NH1-OD1 3.22Å; R46-D57 IonicContact NH2-OD1 2.72Å; R46-D57 PolarHBondContact NH2-OD1 3.15Å; D55-D57 VanDerWaalsContact C-N 3.3Å; D55-D57 PolarHBondContact O-N 2.9Å; D55-D57 PolarHBondContact OD1-N 3.36Å; D57-R61 WeakPolarHBondContact O-CG 3.28Å; D57-R61 PolarHBondContact O-N 2.93Å
58Q94.8Very high94.7Very high91 Ų9150.6 Ų50.643%0.42527%0.268SS..Hα-helixtrans-68.1-39.4170.6-71.9-174.538.800112.4D55 E60 R61 E62 Y127D55-Q58 HydrophobicContact CB-CB 4.12Å; D55-Q58 HydrophobicContact CB-CG 4.28Å; D55-Q58 PolarHBondContact O-N 3.12Å; D55-Q58 PolarHBondContact OD1-N 3.47Å; D55-Q58 VanDerWaalsContact OD2-CD 3.26Å; D55-Q58 VanDerWaalsContact OD2-CG 3.32Å; D55-Q58 WeakPolarHBondContact OD2-CG 3.13Å; D55-Q58 PolarHBondContact OD2-NE2 2.91Å; Q58-E60 VanDerWaalsContact C-N 3.33Å; Q58-R61 WeakPolarHBondContact O-CB 3.42Å; Q58-R61 PolarHBondContact O-N 3.46Å; Q58-E62 PolarHBondContact O-N 2.99Å; Q58-E62 VanDerWaalsContact O-N 3.17Å; Q58-Y127 WeakPolarHBondContact CB-OH 3.08Å
59F97.6Very high94.7Very high0 Ų057.2 Ų57.20%030%0.299CS..Hα-helixtrans-66.2-38.1178.7-174.1-147.4000111.9W35 L39 Y49 I54 D55 V56 R61 E62 V63 L124 Y127 L128W35-F59 AromaticContact CD1-CE1 3.74Å; W35-F59 AromaticContact CD1-CZ 3.6Å; W35-F59 AromaticContact NE1-CE1 3.95Å; W35-F59 AromaticContact NE1-CZ 3.82Å; L39-F59 HydrophobicContact CD1-CB 4.46Å; L39-F59 HydrophobicContact CD1-CD1 3.69Å; L39-F59 HydrophobicContact CD1-CE1 4.08Å; L39-F59 HydrophobicContact CD1-CG 4.09Å; L39-F59 HydrophobicContact CD2-CD1 3.65Å; L39-F59 HydrophobicContact CD2-CE1 3.97Å; L39-F59 HydrophobicContact CG-CD1 4.31Å; Y49-F59 HydrophobicContact CD1-CD1 4.47Å; Y49-F59 HydrophobicContact CD1-CE1 4.21Å; Y49-F59 HydrophobicContact CD2-CD1 4.32Å; Y49-F59 HydrophobicContact CD2-CE1 4.04Å; Y49-F59 AromaticContact CE1-CE1 3.92Å; Y49-F59 HydrophobicContact CE1-CE1 3.92Å; Y49-F59 HydrophobicContact CE2-CD1 4.47Å; Y49-F59 AromaticContact CE2-CE1 3.74Å; Y49-F59 HydrophobicContact CE2-CE1 3.74Å; Y49-F59 HydrophobicContact CG-CD1 4.34Å; Y49-F59 HydrophobicContact CG-CE1 4.27Å; Y49-F59 AromaticContact CZ-CE1 3.67Å; I54-F59 HydrophobicContact CG2-CB 3.91Å; I54-F59 HydrophobicContact CG2-CD1 4.31Å; I54-F59 HydrophobicContact CG2-CG 4.3Å; D55-F59 PolarHBondContact O-N 2.88Å; V56-F59 PolarHBondContact O-N 3.36Å; F59-R61 VanDerWaalsContact C-N 3.33Å; F59-R61 PolarHBondContact O-N 3.03Å; F59-E62 HydrophobicContact CD2-CB 4.49Å; F59-E62 WeakPolarHBondContact O-CB 3.25Å; F59-E62 PolarHBondContact O-N 3.43Å; F59-E62 VanDerWaalsContact O-N 3.08Å; F59-V63 HydrophobicContact CE2-CG2 4.36Å; F59-V63 WeakPolarHBondContact O-CG2 3.5Å; F59-V63 PolarHBondContact O-N 3.26Å; F59-L124 HydrophobicContact CE2-CB 4.17Å; F59-L124 HydrophobicContact CE2-CD2 4.08Å; F59-L124 HydrophobicContact CZ-CB 4.41Å; F59-Y127 HydrophobicContact CB-CE1 3.85Å; F59-Y127 AromaticContact CD2-CD1 3.39Å; F59-Y127 HydrophobicContact CD2-CD1 3.39Å; F59-Y127 AromaticContact CD2-CE1 3.52Å; F59-Y127 HydrophobicContact CD2-CE1 3.52Å; F59-Y127 HydrophobicContact CD2-CG 4.42Å; F59-Y127 AromaticContact CE2-CD1 3.88Å; F59-Y127 HydrophobicContact CE2-CD1 3.88Å; F59-Y127 HydrophobicContact CE2-CE1 4.43Å; F59-Y127 HydrophobicContact CG-CD1 4.27Å; F59-Y127 AromaticContact CG-CE1 3.99Å; F59-Y127 HydrophobicContact CG-CE1 3.99Å; F59-L128 HydrophobicContact CD1-CD2 4.17Å; F59-L128 HydrophobicContact CD2-CD2 4.29Å; F59-L128 HydrophobicContact CE1-CD1 4.46Å; F59-L128 HydrophobicContact CE1-CD2 3.83Å; F59-L128 HydrophobicContact CE1-CG 4.43Å; F59-L128 HydrophobicContact CE2-CD2 3.95Å; F59-L128 HydrophobicContact CE2-CG 4.05Å; F59-L128 HydrophobicContact CG-CD2 4.41Å; F59-L128 HydrophobicContact CZ-CD1 3.94Å; F59-L128 HydrophobicContact CZ-CD2 3.71Å; F59-L128 HydrophobicContact CZ-CG 3.86Å
60E96.6Very high94.5Very high44 Ų4459.1 Ų59.121%0.20631%0.306CS..Hα-helixtrans-61.3-40.8174.9-171.8178.9174.400111.7K36 L39 R46 V56 Q58 E62 V63 D64K36-E60 HydrophobicContact CD-CG 4.25Å; K36-E60 IonicContact NZ-OE1 3.78Å; K36-E60 PolarHBondContact NZ-OE1 3.05Å; L39-E60 HydrophobicContact CB-CB 4.49Å; L39-E60 HydrophobicContact CD1-CB 4.05Å; R46-E60 IonicContact NH1-OE2 3.17Å; V56-E60 WeakPolarHBondContact O-CB 3.39Å; V56-E60 PolarHBondContact O-N 3.25Å; Q58-E60 VanDerWaalsContact C-N 3.33Å; E60-E62 VanDerWaalsContact C-N 3.27Å; E60-E62 PolarHBondContact O-N 3.3Å; E60-V63 WeakPolarHBondContact O-CB 3.31Å; E60-V63 PolarHBondContact O-N 3.15Å; E60-V63 VanDerWaalsContact O-N 3.16Å; E60-D64 PolarHBondContact O-N 3.07Å
61R96.1Very high94.3Very high171 Ų17160.6 Ų60.665%0.64532%0.317SS*.Hα-helixtrans-62-35.7173.1-68.7174.4-170.4178.74.6112.3D57 Q58 F59 D64 K65D57-R61 WeakPolarHBondContact O-CG 3.28Å; D57-R61 PolarHBondContact O-N 2.93Å; Q58-R61 WeakPolarHBondContact O-CB 3.42Å; Q58-R61 PolarHBondContact O-N 3.46Å; F59-R61 VanDerWaalsContact C-N 3.33Å; F59-R61 PolarHBondContact O-N 3.03Å; R61-D64 PolarHBondContact O-N 3.29Å; R61-K65 WeakPolarHBondContact O-CG 3.43Å; R61-K65 PolarHBondContact O-N 2.84Å
62E96.7Very high94.4Very high41 Ų4160.5 Ų60.519%0.19232%0.321CS..Hα-helixtrans-68.7-37.6175.6-166.264.3-166.500111.6Q58 F59 E60 K65 V66 L124 Y127Q58-E62 PolarHBondContact O-N 2.99Å; Q58-E62 VanDerWaalsContact O-N 3.17Å; F59-E62 HydrophobicContact CD2-CB 4.49Å; F59-E62 WeakPolarHBondContact O-CB 3.25Å; F59-E62 PolarHBondContact O-N 3.43Å; F59-E62 VanDerWaalsContact O-N 3.08Å; E60-E62 VanDerWaalsContact C-N 3.27Å; E60-E62 PolarHBondContact O-N 3.3Å; E62-K65 PolarHBondContact O-N 3.02Å; E62-K65 WeakPolarHBondContact OE2-CD 3.49Å; E62-K65 IonicContact OE2-NZ 2.66Å; E62-K65 PolarHBondContact OE2-NZ 3.08Å; E62-V66 WeakPolarHBondContact O-CG2 3.26Å; E62-V66 PolarHBondContact O-N 3.15Å; E62-V66 VanDerWaalsContact O-N 3.16Å; E62-L124 HydrophobicContact CG-CD2 4.37Å; E62-Y127 HydrophobicContact CB-CD2 4.13Å; E62-Y127 HydrophobicContact CB-CE2 4.28Å; E62-Y127 HydrophobicContact CB-CG 4.27Å; E62-Y127 HydrophobicContact CG-CD1 4.5Å; E62-Y127 HydrophobicContact CG-CD2 3.72Å; E62-Y127 HydrophobicContact CG-CE2 4.34Å; E62-Y127 HydrophobicContact CG-CG 3.82Å
63V97.8Very high94Very high0 Ų061.6 Ų61.60%033%0.325CS..Hα-helixtrans-60.8-44.4170.9174.80000111.3A32 W35 K36 L39 F59 E60 K65 V66 L67 L124A32-V63 HydrophobicContact CB-CG1 4.27Å; A32-V63 WeakPolarHBondContact O-CG1 3.37Å; W35-V63 HydrophobicContact CB-CG1 4.24Å; W35-V63 HydrophobicContact CB-CG2 4.01Å; K36-V63 HydrophobicContact CB-CG1 4.03Å; K36-V63 HydrophobicContact CD-CG1 4.46Å; L39-V63 HydrophobicContact CD1-CG2 3.71Å; F59-V63 HydrophobicContact CE2-CG2 4.36Å; F59-V63 WeakPolarHBondContact O-CG2 3.5Å; F59-V63 PolarHBondContact O-N 3.26Å; E60-V63 WeakPolarHBondContact O-CB 3.31Å; E60-V63 PolarHBondContact O-N 3.15Å; E60-V63 VanDerWaalsContact O-N 3.16Å; V63-K65 VanDerWaalsContact C-N 3.35Å; V63-K65 PolarHBondContact O-N 3.46Å; V63-V66 PolarHBondContact O-N 2.91Å; V63-L67 HydrophobicContact CG1-CD1 4.16Å; V63-L67 WeakPolarHBondContact O-CG 3.39Å; V63-L67 PolarHBondContact O-N 3.44Å; V63-L124 HydrophobicContact CB-CD2 4.46Å; V63-L124 HydrophobicContact CG2-CD1 3.92Å; V63-L124 HydrophobicContact CG2-CD2 3.78Å
64D97Very high93.5Very high35 Ų3563.9 Ų63.919%0.18733%0.331CS..Hα-helixtrans-62.2-39.3177.2-77.3-41.6000112.6R24 K36 E60 R61 V66 L67 D68R24-D64 IonicContact CZ-OD1 2.93Å; R24-D64 IonicContact NH2-OD1 3.67Å; R24-D64 PolarHBondContact NH2-OD1 3.05Å; K36-D64 VanDerWaalsContact CE-OD1 3.29Å; K36-D64 WeakPolarHBondContact CE-OD1 3.18Å; K36-D64 VanDerWaalsContact NZ-CG 3.26Å; K36-D64 IonicContact NZ-OD1 2.7Å; K36-D64 PolarHBondContact NZ-OD1 2.88Å; K36-D64 IonicContact NZ-OD2 4Å; K36-D64 PolarHBondContact NZ-OD2 3.28Å; E60-D64 PolarHBondContact O-N 3.07Å; R61-D64 PolarHBondContact O-N 3.29Å; D64-V66 PolarHBondContact O-N 3.44Å; D64-L67 WeakPolarHBondContact O-CB 3.3Å; D64-L67 PolarHBondContact O-N 2.91Å; D64-D68 VanDerWaalsContact O-CG 3.23Å; D64-D68 PolarHBondContact O-N 2.89Å
65K96.1Very high92.8Very high115 Ų11565.5 Ų65.550%0.535%0.35SS..Hα-helixtrans-60-44.4173.3-70.9179-158.6157.20112.2R61 E62 V63 L67 D68 E69R61-K65 WeakPolarHBondContact O-CG 3.43Å; R61-K65 PolarHBondContact O-N 2.84Å; E62-K65 PolarHBondContact O-N 3.02Å; E62-K65 WeakPolarHBondContact OE2-CD 3.49Å; E62-K65 IonicContact OE2-NZ 2.66Å; E62-K65 PolarHBondContact OE2-NZ 3.08Å; V63-K65 VanDerWaalsContact C-N 3.35Å; V63-K65 PolarHBondContact O-N 3.46Å; K65-L67 VanDerWaalsContact C-N 3.29Å; K65-L67 PolarHBondContact O-N 2.83Å; K65-D68 PolarHBondContact O-N 2.69Å; K65-E69 WeakPolarHBondContact O-CG 3.3Å; K65-E69 PolarHBondContact O-N 2.99Å; K65-E69 VanDerWaalsContact O-N 3.11Å
66V95.3Very high91.9Very high6 Ų666.2 Ų66.24%0.03637%0.374CS..Hα-helixtrans-64-38.3177.6176.70000110.7A32 E62 V63 D64 E69 Y70 L124A32-V66 HydrophobicContact CB-CB 4.18Å; A32-V66 HydrophobicContact CB-CG1 3.78Å; E62-V66 WeakPolarHBondContact O-CG2 3.26Å; E62-V66 PolarHBondContact O-N 3.15Å; E62-V66 VanDerWaalsContact O-N 3.16Å; V63-V66 PolarHBondContact O-N 2.91Å; D64-V66 PolarHBondContact O-N 3.44Å; V66-E69 PolarHBondContact O-N 2.85Å; V66-Y70 HydrophobicContact CG1-CE1 4.04Å; V66-L124 HydrophobicContact CG2-CD2 3.89Å; V66-L124 HydrophobicContact CG2-CG 4.48Å
67L96Very high91.1Very high0 Ų073.8 Ų73.80%041%0.414CS..Hα-helixtrans-64.4-39.4173.7-72.2170.1000112.1I20 H26 A32 H33 K36 V63 D64 K65 E69 Y70I20-L67 HydrophobicContact CG2-CD1 4.17Å; H26-L67 PolarHBondContact CE1-O 2.94Å; H26-L67 PolarHBondContact NE2-O 3.1Å; A32-L67 HydrophobicContact CB-CD2 3.75Å; A32-L67 HydrophobicContact CB-CG 3.83Å; H33-L67 VanDerWaalsContact CD2-CD2 3.49Å; H33-L67 WeakPolarHBondContact CD2-CD2 3.37Å; K36-L67 HydrophobicContact CB-CD1 4.12Å; K36-L67 HydrophobicContact CG-CD1 4.28Å; V63-L67 HydrophobicContact CG1-CD1 4.16Å; V63-L67 WeakPolarHBondContact O-CG 3.39Å; V63-L67 PolarHBondContact O-N 3.44Å; D64-L67 WeakPolarHBondContact O-CB 3.3Å; D64-L67 PolarHBondContact O-N 2.91Å; K65-L67 VanDerWaalsContact C-N 3.29Å; K65-L67 PolarHBondContact O-N 2.83Å; L67-E69 VanDerWaalsContact C-N 3.26Å; L67-E69 PolarHBondContact O-N 3.48Å; L67-Y70 HydrophobicContact CD2-CD2 4.04Å; L67-Y70 HydrophobicContact CD2-CE2 3.97Å; L67-Y70 WeakPolarHBondContact O-CB 3.12Å; L67-Y70 PolarHBondContact O-N 3.27Å
68D94.4Very high90.3Very high112 Ų11271.3 Ų71.360%0.59940%0.402SS*.Hα-helixtrans-68-24.8178.3-68.3-22.7000112.9R24 D64 K65 Y70R24-D68 IonicContact CZ-OD1 2.81Å; R24-D68 IonicContact NH1-OD1 2.94Å; R24-D68 PolarHBondContact NH1-OD1 3.13Å; R24-D68 IonicContact NH2-OD1 3.94Å; D64-D68 VanDerWaalsContact O-CG 3.23Å; D64-D68 PolarHBondContact O-N 2.89Å; K65-D68 PolarHBondContact O-N 2.69Å; D68-Y70 VanDerWaalsContact C-N 3.32Å
69E93.1Very high89.8Confident149 Ų14973.1 Ų73.170%0.69641%0.41SS*.THydrogen-bonded Turntrans-77.4-16175.2-72.7178.8179.100113.2K65 V66 L67K65-E69 WeakPolarHBondContact O-CG 3.3Å; K65-E69 PolarHBondContact O-N 2.99Å; K65-E69 VanDerWaalsContact O-N 3.11Å; V66-E69 PolarHBondContact O-N 2.85Å; L67-E69 VanDerWaalsContact C-N 3.26Å; L67-E69 PolarHBondContact O-N 3.48Å
70Y93.3Very high89.3Confident39 Ų3975.3 Ų75.315%0.15342%0.419CS..SBendtrans-70.8142.3179.5-69.4-19.9000112H26 D30 A32 H33 V66 L67 D68 T72 Y122H26-Y70 AromaticContact ND1-CD2 3.98Å; D30-Y70 HydrophobicContact CB-CE2 3.63Å; D30-Y70 WeakPolarHBondContact CB-OH 3.23Å; D30-Y70 VanDerWaalsContact CG-OH 3.31Å; D30-Y70 PolarHBondContact OD2-OH 3.24Å; A32-Y70 HydrophobicContact CB-CE2 3.92Å; H33-Y70 AromaticContact CE1-CD2 3.59Å; H33-Y70 AromaticContact CE1-CE2 3.59Å; H33-Y70 AromaticContact ND1-CE2 3.93Å; V66-Y70 HydrophobicContact CG1-CE1 4.04Å; L67-Y70 HydrophobicContact CD2-CD2 4.04Å; L67-Y70 HydrophobicContact CD2-CE2 3.97Å; L67-Y70 WeakPolarHBondContact O-CB 3.12Å; L67-Y70 PolarHBondContact O-N 3.27Å; D68-Y70 VanDerWaalsContact C-N 3.32Å; Y70-T72 PolarHBondContact O-N 3.32Å; Y70-Y122 PolarHBondContact OH-OH 3.4Å
71P87.6Confident88.8Confident106 Ų10673.2 Ų73.269%0.68841%0.409SS*.PPolyproline II helixtrans-62.3122.3178.2-20.531.5000111.6
72T88.8Confident88.3Confident102 Ų10270.1 Ų70.163%0.62640%0.402SS*.PPolyproline II helixtrans-87.1131.2169.356.30000109.4R24 Y70R24-T72 WeakPolarHBondContact O-CG2 3.4Å; Y70-T72 PolarHBondContact O-N 3.32Å
73V83.3Confident88Confident46 Ų4673 Ų7328%0.27942%0.419SS..  trans-113.8137.6178.8-172.70000108.6H25 Q27 V78 Y80H25-V73 PolarHBondContact O-N 3.37Å; Q27-V73 HydrophobicContact CG-CB 4.07Å; Q27-V73 HydrophobicContact CG-CG2 3.86Å; V73-V78 HydrophobicContact CB-CG1 4.42Å; V73-V78 HydrophobicContact CG1-CG1 4.33Å; V73-V78 HydrophobicContact CG1-CG2 4.07Å; V73-Y80 WeakPolarHBondContact O-CE1 3.21Å; V73-Y80 PolarHBondContact O-OH 3.06Å
74S81.5Confident87.7Confident114 Ų11475.7 Ų75.780%0.79743%0.432SS*.  trans-122.8139.4175.652.80000110.6
75G80.1Confident87.5Confident44 Ų4474.2 Ų74.245%0.45443%0.425SS..  trans165.2154.5178.400000112.7N77 V78G75-N77 PolarHBondContact O-N 3.48Å; G75-N77 VanDerWaalsContact O-N 3.14Å; G75-V78 PolarHBondContact O-N 3.21Å
76G75.2Confident87.3Confident84 Ų8474.5 Ų74.587%0.86643%0.428SS*.THydrogen-bonded Turntrans-67.2-13.3-170.500000116.7
77N76.7Confident87.2Confident165 Ų16578 Ų7888%0.88245%0.446SS*.THydrogen-bonded Turntrans-12922.1-178.4-79.8-9.9000112.8G75 Q79G75-N77 PolarHBondContact O-N 3.48Å; G75-N77 VanDerWaalsContact O-N 3.14Å; N77-Q79 PolarHBondContact O-N 2.9Å
78V78.6Confident87.1Confident34 Ų3478 Ų7821%0.20645%0.447CS..  trans-81123.2179.4-173.30000109.4Q27 V73 G75 Y80Q27-V78 HydrophobicContact CG-CG1 3.82Å; V73-V78 HydrophobicContact CB-CG1 4.42Å; V73-V78 HydrophobicContact CG1-CG1 4.33Å; V73-V78 HydrophobicContact CG1-CG2 4.07Å; G75-V78 PolarHBondContact O-N 3.21Å; V78-Y80 HydrophobicContact CB-CE1 3.8Å; V78-Y80 HydrophobicContact CB-CE2 4.46Å; V78-Y80 HydrophobicContact CG1-CD1 3.75Å; V78-Y80 HydrophobicContact CG1-CE1 3.32Å
79Q83.2Confident87Confident129 Ų12976.5 Ų76.560%0.60344%0.435SS*.  trans-90.6106173.4-72178.4-30.200108.9N77 Q82N77-Q79 PolarHBondContact O-N 2.9Å; Q79-Q82 HydrophobicContact CB-CB 4.42Å; Q79-Q82 HydrophobicContact CB-CG 3.94Å; Q79-Q82 VanDerWaalsContact CD-OE1 3.26Å
80Y88.5Confident87Confident45 Ų4572.7 Ų72.718%0.17642%0.419CS..THydrogen-bonded Turntrans-82.5144.5179-53.7-64.3000111.3H25 H26 V73 V78 Q82H25-Y80 VanDerWaalsContact C-CD1 3.49Å; H25-Y80 HydrophobicContact CB-CD1 4.18Å; H25-Y80 HydrophobicContact CB-CE1 3.81Å; H25-Y80 AromaticContact ND1-CD2 3.81Å; H25-Y80 AromaticContact ND1-CE2 3.38Å; H25-Y80 WeakPolarHBondContact ND1-CE2 3.5Å; H25-Y80 AromaticContact ND1-CZ 3.58Å; H26-Y80 WeakPolarHBondContact O-CA 3.41Å; H26-Y80 WeakPolarHBondContact O-CB 3.27Å; V73-Y80 WeakPolarHBondContact O-CE1 3.21Å; V73-Y80 PolarHBondContact O-OH 3.06Å; V78-Y80 HydrophobicContact CB-CE1 3.8Å; V78-Y80 HydrophobicContact CB-CE2 4.46Å; V78-Y80 HydrophobicContact CG1-CD1 3.75Å; V78-Y80 HydrophobicContact CG1-CE1 3.32Å; Y80-Q82 PolarHBondContact O-N 2.93Å
81G85.3Confident87.1Confident0 Ų070.8 Ų70.80%041%0.412CS..THydrogen-bonded Turntrans57.320.9175.100000115.7Q18 H26 Q27 I29Q18-G81 WeakPolarHBondContact CG-O 3.33Å; Q18-G81 PolarHBondContact NE2-O 3.29Å; H26-G81 PolarHBondContact O-N 3.38Å; Q27-G81 PolarHBondContact O-N 3.17Å; I29-G81 WeakPolarHBondContact CD1-O 3.44Å; I29-G81 WeakPolarHBondContact CG1-O 3.24Å
82Q85.7Confident87.4Confident106 Ų10666 Ų6650%0.49538%0.38SS..  trans-84.7-28.3179.9-75.4-157.44.600113.5Q79 Y80Q79-Q82 HydrophobicContact CB-CB 4.42Å; Q79-Q82 HydrophobicContact CB-CG 3.94Å; Q79-Q82 VanDerWaalsContact CD-OE1 3.26Å; Y80-Q82 PolarHBondContact O-N 2.93Å
83N90Very high87.7Confident103 Ų10363.6 Ų63.655%0.55136%0.363SS*.EExtended strand (participates in β ladder)trans-110.7151.2-178.7-63.1-43.9000110.6E28 I29E28-N83 CarbonylContact C-O 3.29Å; E28-N83 VanDerWaalsContact CA-O 3.24Å; E28-N83 WeakPolarHBondContact CA-O 3.41Å; E28-N83 HydrophobicContact CG-CB 4.36Å; I29-N83 PolarHBondContact N-O 3.36Å
84I91.6Very high88.2Confident56 Ų5664.9 Ų64.929%0.28737%0.366SS..EExtended strand (participates in β ladder)trans-87.8136.1171.5-69.7173.5000108.5M1 L88 F89M1-I84 HydrophobicContact CE-CD1 3.77Å; M1-I84 HydrophobicContact SD-CD1 4.22Å; I84-L88 HydrophobicContact CG2-CB 3.77Å; I84-L88 HydrophobicContact CG2-CD2 3.89Å; I84-L88 HydrophobicContact CG2-CG 3.73Å; I84-F89 HydrophobicContact CG2-CB 4.14Å
85S93.6Very high88.9Confident3 Ų359.4 Ų59.42%0.02133%0.328CS..  trans-64.9157.5176.6830000111.7E28 I29 D30 N87 L88 F89E28-S85 VanDerWaalsContact OE2-CA 3.29Å; E28-S85 WeakPolarHBondContact OE2-CA 3.38Å; E28-S85 WeakPolarHBondContact OE2-CB 3.36Å; I29-S85 PolarHBondContact O-N 3.13Å; D30-S85 PolarHBondContact OD1-OG 2.87Å; D30-S85 PolarHBondContact OD2-OG 3.41Å; S85-N87 PolarHBondContact O-N 2.92Å; S85-N87 PolarHBondContact OG-N 3Å; S85-L88 PolarHBondContact O-N 3.05Å; S85-L88 PolarHBondContact OG-N 3.32Å; S85-F89 WeakPolarHBondContact O-CB 3.34Å; S85-F89 PolarHBondContact O-N 2.9Å
86Q91.6Very high89.5Confident122 Ų12259.9 Ų59.957%0.5732%0.32SS*.Hα-helixtrans-60.4-33.2173.7-17163.648.500112.1N90Q86-N90 PolarHBondContact NE2-OD1 3.38Å; Q86-N90 WeakPolarHBondContact O-CB 3.36Å; Q86-N90 PolarHBondContact O-N 3.01Å; Q86-N90 PolarHBondContact O-ND2 3.43Å; Q86-N90 PolarHBondContact O-OD1 3.24Å
87N92.1Very high90.5Very high79 Ų7961.5 Ų61.542%0.42231%0.305SS..Hα-helixtrans-65.7-49.4178.3-66.9-34.6000111.2D30 I31 S85 N90 L91D30-N87 VanDerWaalsContact OD1-CB 3.29Å; D30-N87 WeakPolarHBondContact OD1-CB 3.45Å; D30-N87 PolarHBondContact OD2-ND2 2.81Å; I31-N87 HydrophobicContact CD1-CB 4Å; I31-N87 HydrophobicContact CG1-CB 4.36Å; S85-N87 PolarHBondContact O-N 2.92Å; S85-N87 PolarHBondContact OG-N 3Å; N87-N90 PolarHBondContact O-N 2.88Å; N87-L91 WeakPolarHBondContact O-CB 3.37Å; N87-L91 PolarHBondContact O-N 3.44Å
88L94.4Very high91.3Very high1 Ų154.3 Ų54.31%0.00527%0.267CS..Hα-helixtrans-66.9-39.6178.5177.157.8000111.1I29 I31 V34 I84 S85 N90 L91 L92I29-L88 HydrophobicContact CB-CD2 4.37Å; I29-L88 HydrophobicContact CG2-CD2 3.86Å; I29-L88 WeakPolarHBondContact O-CD2 3.37Å; I31-L88 HydrophobicContact CG1-CB 4.1Å; I31-L88 HydrophobicContact CG1-CD1 4.28Å; V34-L88 HydrophobicContact CG2-CD1 4.02Å; V34-L88 HydrophobicContact CG2-CD2 3.77Å; I84-L88 HydrophobicContact CG2-CB 3.77Å; I84-L88 HydrophobicContact CG2-CD2 3.89Å; I84-L88 HydrophobicContact CG2-CG 3.73Å; S85-L88 PolarHBondContact O-N 3.05Å; S85-L88 PolarHBondContact OG-N 3.32Å; L88-N90 PolarHBondContact O-N 3.09Å; L88-L91 HydrophobicContact CD1-CD2 4.2Å; L88-L91 WeakPolarHBondContact O-CB 3.45Å; L88-L91 PolarHBondContact O-N 2.61Å; L88-L92 HydrophobicContact CD1-CD1 4.17Å; L88-L92 HydrophobicContact CD1-CG 4.1Å; L88-L92 HydrophobicContact CG-CD1 4.19Å; L88-L92 WeakPolarHBondContact O-CG 3.49Å; L88-L92 PolarHBondContact O-N 3.04Å
89F93.1Very high92Very high79 Ų7953.5 Ų53.535%0.34626%0.26SS..Hα-helixtrans-59.7-44.6173.6-178-101000112.2I84 S85 L92 N93I84-F89 HydrophobicContact CG2-CB 4.14Å; S85-F89 WeakPolarHBondContact O-CB 3.34Å; S85-F89 PolarHBondContact O-N 2.9Å; F89-L92 PolarHBondContact O-N 3.03Å; F89-N93 VanDerWaalsContact CD1-ND2 3.33Å; F89-N93 WeakPolarHBondContact CD1-ND2 3.41Å; F89-N93 WeakPolarHBondContact CE1-ND2 3.46Å; F89-N93 WeakPolarHBondContact CZ-ND2 3.5Å; F89-N93 PolarHBondContact O-N 2.82Å; F89-N93 PolarHBondContact O-ND2 3.37Å
90N92.6Very high92.5Very high69 Ų6953 Ų5337%0.36926%0.257SS..Hα-helixtrans-63.8-43176.2-70.8-15.1000111.5Q86 N87 L88 L92 N93 E94Q86-N90 PolarHBondContact NE2-OD1 3.38Å; Q86-N90 WeakPolarHBondContact O-CB 3.36Å; Q86-N90 PolarHBondContact O-N 3.01Å; Q86-N90 PolarHBondContact O-ND2 3.43Å; Q86-N90 PolarHBondContact O-OD1 3.24Å; N87-N90 PolarHBondContact O-N 2.88Å; L88-N90 PolarHBondContact O-N 3.09Å; N90-L92 VanDerWaalsContact C-N 3.35Å; N90-L92 PolarHBondContact O-N 2.64Å; N90-N93 PolarHBondContact O-N 2.93Å; N90-E94 WeakPolarHBondContact O-CG 3.36Å; N90-E94 PolarHBondContact O-N 3.43Å
91L95.5Very high92.6Very high0 Ų057.9 Ų57.90%028%0.28CS..Hα-helixtrans-57.2-47.4175.417869.1000111.6I31 W35 N87 L88 N93 E94 A95 V112 A115 L116 L119I31-L91 HydrophobicContact CD1-CB 4.15Å; I31-L91 HydrophobicContact CD1-CD2 4.08Å; I31-L91 HydrophobicContact CG1-CB 4.39Å; I31-L91 HydrophobicContact CG1-CD2 3.88Å; I31-L91 HydrophobicContact CG2-CD2 4.01Å; W35-L91 HydrophobicContact CH2-CD2 4.01Å; W35-L91 HydrophobicContact CZ3-CD2 3.65Å; N87-L91 WeakPolarHBondContact O-CB 3.37Å; N87-L91 PolarHBondContact O-N 3.44Å; L88-L91 HydrophobicContact CD1-CD2 4.2Å; L88-L91 WeakPolarHBondContact O-CB 3.45Å; L88-L91 PolarHBondContact O-N 2.61Å; L91-N93 VanDerWaalsContact C-N 3.33Å; L91-N93 PolarHBondContact O-N 3.09Å; L91-E94 PolarHBondContact O-N 3.44Å; L91-A95 WeakPolarHBondContact O-CB 3.47Å; L91-A95 PolarHBondContact O-N 2.94Å; L91-V112 HydrophobicContact CD2-CG1 4.13Å; L91-A115 VanDerWaalsContact CD1-C 3.4Å; L91-A115 HydrophobicContact CD1-CB 3.71Å; L91-L116 HydrophobicContact CD1-CB 4.26Å; L91-L116 VanDerWaalsContact CD1-N 3.32Å; L91-L119 HydrophobicContact CB-CD1 4.27Å; L91-L119 HydrophobicContact CD1-CD1 3.94Å; L91-L119 HydrophobicContact CD1-CG 4.44Å
92L95Very high92.8Very high5 Ų560 Ų603%0.02629%0.289CS..Hα-helixtrans-67.8-32.8-179.2-68174.6000112.4M1 M6 I14 L88 F89 N90 A95 D96 L107 V112M1-L92 HydrophobicContact SD-CB 4.46Å; M1-L92 HydrophobicContact SD-CD1 3.45Å; M1-L92 WeakPolarHBondContact SD-CD1 3.49Å; M6-L92 HydrophobicContact CE-CD1 4.5Å; I14-L92 HydrophobicContact CD1-CD1 4.39Å; L88-L92 HydrophobicContact CD1-CD1 4.17Å; L88-L92 HydrophobicContact CD1-CG 4.1Å; L88-L92 HydrophobicContact CG-CD1 4.19Å; L88-L92 WeakPolarHBondContact O-CG 3.49Å; L88-L92 PolarHBondContact O-N 3.04Å; F89-L92 PolarHBondContact O-N 3.03Å; N90-L92 VanDerWaalsContact C-N 3.35Å; N90-L92 PolarHBondContact O-N 2.64Å; L92-A95 PolarHBondContact O-N 3.4Å; L92-D96 WeakPolarHBondContact O-CB 3.37Å; L92-D96 PolarHBondContact O-N 3.15Å; L92-L107 HydrophobicContact CD2-CD2 4.37Å; L92-V112 HydrophobicContact CD2-CG1 4.39Å; L92-V112 HydrophobicContact CD2-CG2 4.13Å
93N93.4Very high93.1Very high51 Ų5160 Ų6027%0.27329%0.292SS..Hα-helixtrans-69.7-41.3172.7-71.2-31.2000112.2F89 N90 L91 A95 D96 Q97F89-N93 VanDerWaalsContact CD1-ND2 3.33Å; F89-N93 WeakPolarHBondContact CD1-ND2 3.41Å; F89-N93 WeakPolarHBondContact CE1-ND2 3.46Å; F89-N93 WeakPolarHBondContact CZ-ND2 3.5Å; F89-N93 PolarHBondContact O-N 2.82Å; F89-N93 PolarHBondContact O-ND2 3.37Å; N90-N93 PolarHBondContact O-N 2.93Å; L91-N93 VanDerWaalsContact C-N 3.33Å; L91-N93 PolarHBondContact O-N 3.09Å; N93-A95 VanDerWaalsContact C-N 3.28Å; N93-A95 PolarHBondContact O-N 3.46Å; N93-D96 PolarHBondContact O-N 3.21Å; N93-Q97 WeakPolarHBondContact O-CG 3.27Å; N93-Q97 PolarHBondContact O-N 3.16Å
94E94Very high93.3Very high73 Ų7355.2 Ų55.234%0.34127%0.267SS..Hα-helixtrans-61.5-40172.2-72.4-66.2153.800110.9N90 L91 Q97 L98 A115N90-E94 WeakPolarHBondContact O-CG 3.36Å; N90-E94 PolarHBondContact O-N 3.43Å; L91-E94 PolarHBondContact O-N 3.44Å; E94-Q97 PolarHBondContact O-N 3.12Å; E94-L98 WeakPolarHBondContact O-CG 3.48Å; E94-L98 PolarHBondContact O-N 3.32Å; E94-A115 HydrophobicContact CB-CB 4.38Å
95A95.8Very high93.3Very high0 Ų056.5 Ų56.50%027%0.274CS..Hα-helixtrans-65.2-39.3175.600000112L91 L92 N93 L98 R99 L107 I111 V112 A115L91-A95 WeakPolarHBondContact O-CB 3.47Å; L91-A95 PolarHBondContact O-N 2.94Å; L92-A95 PolarHBondContact O-N 3.4Å; N93-A95 VanDerWaalsContact C-N 3.28Å; N93-A95 PolarHBondContact O-N 3.46Å; A95-L98 CarbonylContact O-C 3.29Å; A95-L98 WeakPolarHBondContact O-CB 3.17Å; A95-L98 PolarHBondContact O-N 3.47Å; A95-R99 PolarHBondContact O-N 3.15Å; A95-L107 HydrophobicContact CB-CD1 3.72Å; A95-L107 HydrophobicContact CB-CD2 4.27Å; A95-I111 HydrophobicContact CB-CG2 4.35Å; A95-I111 VanDerWaalsContact O-CG2 3.24Å; A95-I111 WeakPolarHBondContact O-CG2 3.15Å; A95-V112 HydrophobicContact CB-CG2 4.02Å; A95-A115 HydrophobicContact CB-CB 3.57Å
96D94.1Very high93.3Very high54 Ų5458.3 Ų58.329%0.28928%0.282SS..Hα-helixtrans-66.3-36.6175.9-165.132.9000112L92 N93 L98 R99 E100L92-D96 WeakPolarHBondContact O-CB 3.37Å; L92-D96 PolarHBondContact O-N 3.15Å; N93-D96 PolarHBondContact O-N 3.21Å; D96-L98 VanDerWaalsContact C-N 3.35Å; D96-R99 WeakPolarHBondContact O-CB 3.38Å; D96-R99 PolarHBondContact O-N 3.5Å; D96-R99 IonicContact OD1-CZ 3.32Å; D96-R99 VanDerWaalsContact OD1-CZ 3.32Å; D96-R99 IonicContact OD1-NE 2.76Å; D96-R99 PolarHBondContact OD1-NE 3.43Å; D96-R99 IonicContact OD1-NH2 2.97Å; D96-R99 PolarHBondContact OD1-NH2 2.66Å; D96-E100 WeakPolarHBondContact O-CG 2.85Å; D96-E100 PolarHBondContact O-N 2.93Å
97Q94.8Very high93.5Very high118 Ų11852.9 Ų52.955%0.55126%0.257SS*.Hα-helixtrans-64.2-39.4171.2-69.2178.825.200112.1N93 E94 E100 K101N93-Q97 WeakPolarHBondContact O-CG 3.27Å; N93-Q97 PolarHBondContact O-N 3.16Å; E94-Q97 PolarHBondContact O-N 3.12Å; Q97-E100 PolarHBondContact O-N 3.45Å; Q97-K101 PolarHBondContact O-N 3.28Å
98L93.7Very high93.6Very high13 Ų1349.1 Ų49.17%0.06824%0.236CC..Hα-helixtrans-65.4-43.4173.7-72.4172.8000111.2E94 A95 D96 E100 K101 F102 I111 L114 A115E94-L98 WeakPolarHBondContact O-CG 3.48Å; E94-L98 PolarHBondContact O-N 3.32Å; A95-L98 CarbonylContact O-C 3.29Å; A95-L98 WeakPolarHBondContact O-CB 3.17Å; A95-L98 PolarHBondContact O-N 3.47Å; D96-L98 VanDerWaalsContact C-N 3.35Å; L98-E100 VanDerWaalsContact C-N 3.29Å; L98-E100 PolarHBondContact O-N 3.33Å; L98-K101 CarbonylContact O-C 3.59Å; L98-K101 WeakPolarHBondContact O-CA 3.32Å; L98-K101 WeakPolarHBondContact O-CB 3.43Å; L98-K101 PolarHBondContact O-N 2.94Å; L98-F102 WeakPolarHBondContact O-CD2 3.29Å; L98-F102 PolarHBondContact O-N 2.86Å; L98-I111 HydrophobicContact CB-CG2 3.69Å; L98-L114 HydrophobicContact CD1-CB 4.33Å; L98-L114 HydrophobicContact CD1-CD2 4.16Å; L98-L114 HydrophobicContact CD1-CG 3.97Å; L98-A115 HydrophobicContact CD1-CB 3.97Å
99R94.4Very high93.7Very high18 Ų1849 Ų497%0.06824%0.236CC..Hα-helixtrans-52.3-48.4173.9-178.7-160.159.5813.3110.9A95 D96 K101 F102 N103 D104 L107 I111A95-R99 PolarHBondContact O-N 3.15Å; D96-R99 WeakPolarHBondContact O-CB 3.38Å; D96-R99 PolarHBondContact O-N 3.5Å; D96-R99 IonicContact OD1-CZ 3.32Å; D96-R99 VanDerWaalsContact OD1-CZ 3.32Å; D96-R99 IonicContact OD1-NE 2.76Å; D96-R99 PolarHBondContact OD1-NE 3.43Å; D96-R99 IonicContact OD1-NH2 2.97Å; D96-R99 PolarHBondContact OD1-NH2 2.66Å; R99-K101 VanDerWaalsContact C-N 3.34Å; R99-K101 PolarHBondContact O-N 3.32Å; R99-F102 PolarHBondContact O-N 3.05Å; R99-N103 PolarHBondContact O-N 3.29Å; R99-N103 VanDerWaalsContact O-N 3.09Å; R99-D104 HydrophobicContact CG-CB 3.54Å; R99-D104 WeakPolarHBondContact CG-O 3.43Å; R99-D104 PolarHBondContact NH1-O 3.26Å; R99-D104 PolarHBondContact O-N 3.39Å; R99-L107 HydrophobicContact CB-CD1 4.15Å; R99-L107 VanDerWaalsContact CD-N 3.33Å; R99-I111 HydrophobicContact CB-CG2 4.49Å
100E92.6Very high93.8Very high117 Ų11745.3 Ų45.355%0.54722%0.22SC..Hα-helixtrans-62.4-40.5176.4-69-171.716600112.4D96 Q97 L98 F102 N103D96-E100 WeakPolarHBondContact O-CG 2.85Å; D96-E100 PolarHBondContact O-N 2.93Å; Q97-E100 PolarHBondContact O-N 3.45Å; L98-E100 VanDerWaalsContact C-N 3.29Å; L98-E100 PolarHBondContact O-N 3.33Å; E100-F102 VanDerWaalsContact C-N 3.33Å; E100-F102 PolarHBondContact O-N 2.94Å; E100-N103 PolarHBondContact O-N 2.91Å
101K91.3Very high94Very high149 Ų14942 Ų4265%0.64820%0.202SC*.Hα-helixtrans-63.8-36.2176.6-172.5-176.7175.2-169.40112.8Q97 L98 R99 N103Q97-K101 PolarHBondContact O-N 3.28Å; L98-K101 CarbonylContact O-C 3.59Å; L98-K101 WeakPolarHBondContact O-CA 3.32Å; L98-K101 WeakPolarHBondContact O-CB 3.43Å; L98-K101 PolarHBondContact O-N 2.94Å; R99-K101 VanDerWaalsContact C-N 3.34Å; R99-K101 PolarHBondContact O-N 3.32Å; K101-N103 PolarHBondContact O-N 2.92Å
102F90.4Very high94Very high45 Ų4542 Ų4220%0.19720%0.202CC..Hα-helixtrans-78.3-5.9173.8-83-97.8000112.8L98 R99 E100 D104 I111 L114 Q139L98-F102 WeakPolarHBondContact O-CD2 3.29Å; L98-F102 PolarHBondContact O-N 2.86Å; R99-F102 PolarHBondContact O-N 3.05Å; E100-F102 VanDerWaalsContact C-N 3.33Å; E100-F102 PolarHBondContact O-N 2.94Å; F102-D104 WeakPolarHBondContact CB-OD2 3.47Å; F102-D104 PolarHBondContact O-N 2.99Å; F102-I111 HydrophobicContact CD2-CD1 3.97Å; F102-I111 HydrophobicContact CE2-CD1 4.21Å; F102-I111 HydrophobicContact CG-CD1 4.14Å; F102-L114 HydrophobicContact CE2-CD2 3.84Å; F102-L114 HydrophobicContact CZ-CD2 4.09Å; F102-Q139 HydrophobicContact CZ-CG 4.47Å
103N90.7Very high94.1Very high105 Ų10541.8 Ų41.856%0.56120%0.201SC*.THydrogen-bonded Turntrans57.135.4-173-58.1-65.4000113.4R99 E100 K101 R150R99-N103 PolarHBondContact O-N 3.29Å; R99-N103 VanDerWaalsContact O-N 3.09Å; E100-N103 PolarHBondContact O-N 2.91Å; K101-N103 PolarHBondContact O-N 2.92Å; N103-R150 WeakPolarHBondContact O-CD 3.39Å; N103-R150 PolarHBondContact O-NH1 3.39Å
104D93.8Very high94.3Very high3 Ų339.5 Ų39.52%0.01619%0.189CC..  trans-82.4140.5177.3-73.4-24000110.5R99 F102 R146 R150 V151R99-D104 HydrophobicContact CG-CB 3.54Å; R99-D104 WeakPolarHBondContact CG-O 3.43Å; R99-D104 PolarHBondContact NH1-O 3.26Å; R99-D104 PolarHBondContact O-N 3.39Å; F102-D104 WeakPolarHBondContact CB-OD2 3.47Å; F102-D104 PolarHBondContact O-N 2.99Å; D104-R146 IonicContact OD1-NH1 3.29Å; D104-R146 PolarHBondContact OD1-NH1 3.19Å; D104-R146 IonicContact OD2-CZ 3.37Å; D104-R146 IonicContact OD2-NH1 2.72Å; D104-R146 PolarHBondContact OD2-NH1 2.9Å; D104-R146 IonicContact OD2-NH2 2.84Å; D104-R146 PolarHBondContact OD2-NH2 3.31Å; D104-R146 VanDerWaalsContact OD2-NH2 3.09Å; D104-R150 WeakPolarHBondContact OD1-CA 3.29Å; D104-V151 HydrophobicContact CB-CB 3.95Å; D104-V151 HydrophobicContact CB-CG2 4.33Å; D104-V151 PolarHBondContact OD1-N 3.03Å
105D92.6Very high94.4Very high82 Ų8236 Ų3644%0.43917%0.173SC..SBendtrans-79-32.3177-64.3-35.5000111.5V151D105-V151 PolarHBondContact N-O 3.08Å
106F94.1Very high94.5Very high42 Ų4236 Ų3618%0.18417%0.173CC..SBendtrans-119.5146178.6-61-93.1000112.1E4 K5 T7 S108 V151 T152 Q154E4-F106 WeakPolarHBondContact O-CE1 3.46Å; K5-F106 CarbonylContact O-C 3.6Å; K5-F106 WeakPolarHBondContact O-CA 3.42Å; T7-F106 HydrophobicContact CG2-CB 4.06Å; F106-S108 PolarHBondContact O-N 2.99Å; F106-V151 HydrophobicContact CB-CG1 3.83Å; F106-V151 PolarHBondContact N-O 2.89Å; F106-T152 WeakPolarHBondContact CE2-O 3.21Å; F106-Q154 HydrophobicContact CD1-CG 3.62Å; F106-Q154 HydrophobicContact CE1-CG 3.31Å; F106-Q154 HydrophobicContact CG-CG 4.42Å; F106-Q154 HydrophobicContact CZ-CG 3.87Å
107L95.6Very high94.6Very high7 Ų733.8 Ų33.84%0.03716%0.16CC..BIsolated β-bridgetrans-80.2113.4172.2178.262.2000108.6K5 M6 T7 L10 L92 A95 R99 I111 V112K5-L107 PolarHBondContact O-N 2.98Å; M6-L107 WeakPolarHBondContact CA-O 3.47Å; M6-L107 HydrophobicContact CE-CD2 4.33Å; M6-L107 HydrophobicContact CG-CB 4.36Å; M6-L107 HydrophobicContact CG-CD2 4.46Å; T7-L107 PolarHBondContact N-O 2.95Å; L10-L107 HydrophobicContact CD2-CB 4.4Å; L10-L107 HydrophobicContact CD2-CD2 3.99Å; L10-L107 HydrophobicContact CD2-CG 3.77Å; L10-L107 WeakPolarHBondContact CD2-O 3.37Å; L92-L107 HydrophobicContact CD2-CD2 4.37Å; A95-L107 HydrophobicContact CB-CD1 3.72Å; A95-L107 HydrophobicContact CB-CD2 4.27Å; R99-L107 HydrophobicContact CB-CD1 4.15Å; R99-L107 VanDerWaalsContact CD-N 3.33Å; L107-I111 HydrophobicContact CD1-CB 4.03Å; L107-I111 HydrophobicContact CD1-CG2 3.72Å; L107-V112 HydrophobicContact CD1-CG2 4.13Å; L107-V112 HydrophobicContact CD2-CG2 4.17Å; L107-V112 HydrophobicContact CG-CG2 4.09Å
108S94.6Very high94.5Very high0 Ų031.8 Ų31.80%015%0.15CC..  trans-103.3165.4-177.771.20000112.9F106 E110 I111 V112 R146 E157F106-S108 PolarHBondContact O-N 2.99Å; S108-E110 VanDerWaalsContact C-N 3.34Å; S108-E110 WeakPolarHBondContact CB-OE2 3.45Å; S108-E110 PolarHBondContact O-N 2.7Å; S108-E110 PolarHBondContact OG-OE1 2.93Å; S108-E110 PolarHBondContact OG-OE2 2.78Å; S108-I111 PolarHBondContact O-N 3.4Å; S108-V112 PolarHBondContact O-N 3.26Å; S108-R146 PolarHBondContact OG-NH2 3.45Å; S108-R146 VanDerWaalsContact OG-NH2 3.11Å; S108-E157 WeakPolarHBondContact CB-OE1 3.38Å
109T95.3Very high94.4Very high0 Ų033.4 Ų33.40%016%0.158CC..Hα-helixtrans-57.5-43.1-175.8-56.60000112.7F38 F44 I111 V112 I113 E157F38-T109 HydrophobicContact CD1-CG2 4.18Å; F38-T109 HydrophobicContact CD2-CG2 4.3Å; F38-T109 HydrophobicContact CE1-CG2 3.74Å; F38-T109 HydrophobicContact CE2-CG2 3.91Å; F38-T109 HydrophobicContact CG-CG2 4.43Å; F38-T109 HydrophobicContact CZ-CG2 3.61Å; F44-T109 HydrophobicContact CD1-CG2 3.69Å; F44-T109 HydrophobicContact CE1-CG2 4.21Å; T109-I111 VanDerWaalsContact C-N 3.31Å; T109-I111 PolarHBondContact O-N 3.35Å; T109-V112 WeakPolarHBondContact O-CB 3.29Å; T109-V112 PolarHBondContact O-N 3.36Å; T109-I113 HydrophobicContact CG2-CD1 4.23Å; T109-I113 WeakPolarHBondContact O-CG1 3.36Å; T109-I113 PolarHBondContact O-N 2.83Å; T109-E157 PolarHBondContact N-OE1 2.87Å; T109-E157 PolarHBondContact OG1-OE1 3.24Å; T109-E157 VanDerWaalsContact OG1-OE1 3.12Å
110E94.9Very high94.1Very high0 Ų039.7 Ų39.70%019%0.186CC..Hα-helixtrans-67.2-29.6-179.172.3-82.2-163.100113.3F44 S108 I113 L114 I142 M145 R146 Y160F44-E110 HydrophobicContact CE1-CB 3.89Å; F44-E110 HydrophobicContact CZ-CB 4.1Å; S108-E110 VanDerWaalsContact C-N 3.34Å; S108-E110 WeakPolarHBondContact CB-OE2 3.45Å; S108-E110 PolarHBondContact O-N 2.7Å; S108-E110 PolarHBondContact OG-OE1 2.93Å; S108-E110 PolarHBondContact OG-OE2 2.78Å; E110-I113 PolarHBondContact O-N 3.37Å; E110-L114 PolarHBondContact O-N 2.57Å; E110-I142 HydrophobicContact CB-CD1 4.03Å; E110-I142 HydrophobicContact CB-CG1 3.94Å; E110-I142 HydrophobicContact CG-CD1 4.19Å; E110-I142 HydrophobicContact CG-CG1 4.03Å; E110-I142 HydrophobicContact CG-CG2 4Å; E110-I142 VanDerWaalsContact O-CD1 3.25Å; E110-I142 WeakPolarHBondContact O-CD1 3.47Å; E110-M145 HydrophobicContact CB-CE 4.26Å; E110-M145 HydrophobicContact CG-CE 3.92Å; E110-R146 IonicContact OE1-CZ 3.63Å; E110-R146 IonicContact OE1-NE 2.82Å; E110-R146 PolarHBondContact OE1-NE 3.36Å; E110-R146 IonicContact OE1-NH2 2.83Å; E110-R146 PolarHBondContact OE1-NH2 3.18Å; E110-Y160 WeakPolarHBondContact OE1-CE2 3.35Å; E110-Y160 PolarHBondContact OE1-OH 3.11Å
111I96.5Very high93.9Very high0 Ų040.6 Ų40.60%020%0.195CC..Hα-helixtrans-72.3-36174.5-61.9-60.1000110.7A95 L98 R99 F102 L107 S108 T109 I113 L114 A115A95-I111 HydrophobicContact CB-CG2 4.35Å; A95-I111 VanDerWaalsContact O-CG2 3.24Å; A95-I111 WeakPolarHBondContact O-CG2 3.15Å; L98-I111 HydrophobicContact CB-CG2 3.69Å; R99-I111 HydrophobicContact CB-CG2 4.49Å; F102-I111 HydrophobicContact CD2-CD1 3.97Å; F102-I111 HydrophobicContact CE2-CD1 4.21Å; F102-I111 HydrophobicContact CG-CD1 4.14Å; L107-I111 HydrophobicContact CD1-CB 4.03Å; L107-I111 HydrophobicContact CD1-CG2 3.72Å; S108-I111 PolarHBondContact O-N 3.4Å; T109-I111 VanDerWaalsContact C-N 3.31Å; T109-I111 PolarHBondContact O-N 3.35Å; I111-I113 VanDerWaalsContact C-N 3.34Å; I111-L114 PolarHBondContact O-N 3.19Å; I111-A115 WeakPolarHBondContact O-CB 3.49Å; I111-A115 PolarHBondContact O-N 3.11Å
112V97.2Very high94Very high1 Ų135.1 Ų35.11%0.00617%0.17CC..Hα-helixtrans-64.9-40.2171.7179.40000110.7L10 W35 F38 L91 L92 A95 L107 S108 T109 A115 L116L10-V112 HydrophobicContact CD1-CG2 3.97Å; L10-V112 HydrophobicContact CD2-CG2 3.69Å; W35-V112 HydrophobicContact CH2-CG1 3.94Å; W35-V112 HydrophobicContact CZ3-CG1 4.01Å; F38-V112 HydrophobicContact CE2-CG1 4.18Å; F38-V112 HydrophobicContact CZ-CG1 4.31Å; L91-V112 HydrophobicContact CD2-CG1 4.13Å; L92-V112 HydrophobicContact CD2-CG1 4.39Å; L92-V112 HydrophobicContact CD2-CG2 4.13Å; A95-V112 HydrophobicContact CB-CG2 4.02Å; L107-V112 HydrophobicContact CD1-CG2 4.13Å; L107-V112 HydrophobicContact CD2-CG2 4.17Å; L107-V112 HydrophobicContact CG-CG2 4.09Å; S108-V112 PolarHBondContact O-N 3.26Å; T109-V112 WeakPolarHBondContact O-CB 3.29Å; T109-V112 PolarHBondContact O-N 3.36Å; V112-A115 WeakPolarHBondContact O-CB 3.45Å; V112-A115 PolarHBondContact O-N 3.24Å; V112-L116 PolarHBondContact O-N 3.12Å; V112-L116 VanDerWaalsContact O-N 3.11Å
113I97.2Very high94.1Very high0 Ų035.2 Ų35.20%018%0.176CC..Hα-helixtrans-60.2-45.1172.8-70.4170000111.3W35 F38 F48 Y49 T109 E110 I111 A115 L116 V138W35-I113 HydrophobicContact CZ2-CG1 4.12Å; F38-I113 HydrophobicContact CD2-CD1 4.46Å; F38-I113 HydrophobicContact CD2-CG1 4.11Å; F38-I113 HydrophobicContact CE2-CG1 4.09Å; F48-I113 HydrophobicContact CB-CD1 4.47Å; F48-I113 HydrophobicContact CD1-CD1 4.1Å; F48-I113 HydrophobicContact CD1-CG2 4.12Å; F48-I113 HydrophobicContact CE1-CG2 3.83Å; F48-I113 HydrophobicContact CG-CD1 4.36Å; Y49-I113 HydrophobicContact CE1-CG2 4.3Å; Y49-I113 HydrophobicContact CE2-CD1 4.11Å; Y49-I113 HydrophobicContact CE2-CG1 4.38Å; Y49-I113 WeakPolarHBondContact OH-CG2 3.35Å; T109-I113 HydrophobicContact CG2-CD1 4.23Å; T109-I113 WeakPolarHBondContact O-CG1 3.36Å; T109-I113 PolarHBondContact O-N 2.83Å; E110-I113 PolarHBondContact O-N 3.37Å; I111-I113 VanDerWaalsContact C-N 3.34Å; I113-A115 VanDerWaalsContact C-N 3.33Å; I113-A115 PolarHBondContact O-N 3.12Å; I113-L116 WeakPolarHBondContact O-CB 3.36Å; I113-L116 PolarHBondContact O-N 3.25Å; I113-V138 HydrophobicContact CG2-CG1 4Å
114L96.8Very high94.3Very high3 Ų330.2 Ų30.22%0.01615%0.15CC..Hα-helixtrans-63.3-39.2175.7-177.360.4000112.2L98 F102 E110 I111 L116 M117 E135 V138 Q139 I142L98-L114 HydrophobicContact CD1-CB 4.33Å; L98-L114 HydrophobicContact CD1-CD2 4.16Å; L98-L114 HydrophobicContact CD1-CG 3.97Å; F102-L114 HydrophobicContact CE2-CD2 3.84Å; F102-L114 HydrophobicContact CZ-CD2 4.09Å; E110-L114 PolarHBondContact O-N 2.57Å; I111-L114 PolarHBondContact O-N 3.19Å; L114-L116 VanDerWaalsContact C-N 3.26Å; L114-L116 PolarHBondContact O-N 3.12Å; L114-M117 WeakPolarHBondContact O-CB 3.41Å; L114-M117 PolarHBondContact O-N 3Å; L114-M117 VanDerWaalsContact O-N 3.12Å; L114-E135 HydrophobicContact CD1-CG 4.14Å; L114-V138 HydrophobicContact CB-CG1 4.18Å; L114-V138 HydrophobicContact CD1-CB 4.21Å; L114-V138 HydrophobicContact CD1-CG1 3.89Å; L114-Q139 HydrophobicContact CD1-CB 4.12Å; L114-I142 HydrophobicContact CB-CD1 3.78Å; L114-I142 HydrophobicContact CD2-CD1 4.21Å; L114-I142 HydrophobicContact CG-CD1 4.44Å
115A97.1Very high94.4Very high0 Ų030 Ų300%015%0.149CC..Hα-helixtrans-62.3-32.4177.300000112.4L91 E94 A95 L98 I111 V112 I113 M117 K118L91-A115 VanDerWaalsContact CD1-C 3.4Å; L91-A115 HydrophobicContact CD1-CB 3.71Å; E94-A115 HydrophobicContact CB-CB 4.38Å; A95-A115 HydrophobicContact CB-CB 3.57Å; L98-A115 HydrophobicContact CD1-CB 3.97Å; I111-A115 WeakPolarHBondContact O-CB 3.49Å; I111-A115 PolarHBondContact O-N 3.11Å; V112-A115 WeakPolarHBondContact O-CB 3.45Å; V112-A115 PolarHBondContact O-N 3.24Å; I113-A115 VanDerWaalsContact C-N 3.33Å; I113-A115 PolarHBondContact O-N 3.12Å; A115-M117 PolarHBondContact O-N 2.92Å; A115-K118 VanDerWaalsContact O-CB 3.26Å; A115-K118 WeakPolarHBondContact O-CB 3.45Å; A115-K118 PolarHBondContact O-N 2.95Å
116L97.3Very high94.6Very high0 Ų030.9 Ų30.90%015%0.149CC..Hα-helixtrans-57.7-35.7175.8-174.975.1000111.2I31 W35 L91 V112 I113 L114 K118 L119 Y122 L124 T125 L128I31-L116 HydrophobicContact CG2-CD1 3.68Å; W35-L116 HydrophobicContact CD2-CD2 4.41Å; W35-L116 HydrophobicContact CH2-CB 3.69Å; W35-L116 HydrophobicContact CH2-CD1 4.12Å; W35-L116 HydrophobicContact CH2-CD2 4.17Å; W35-L116 HydrophobicContact CH2-CG 4.18Å; W35-L116 HydrophobicContact CZ2-CB 3.58Å; W35-L116 HydrophobicContact CZ2-CD1 4.15Å; W35-L116 HydrophobicContact CZ2-CD2 3.39Å; W35-L116 HydrophobicContact CZ2-CG 3.85Å; W35-L116 HydrophobicContact CZ3-CD1 4.47Å; L91-L116 HydrophobicContact CD1-CB 4.26Å; L91-L116 VanDerWaalsContact CD1-N 3.32Å; V112-L116 PolarHBondContact O-N 3.12Å; V112-L116 VanDerWaalsContact O-N 3.11Å; I113-L116 WeakPolarHBondContact O-CB 3.36Å; I113-L116 PolarHBondContact O-N 3.25Å; L114-L116 VanDerWaalsContact C-N 3.26Å; L114-L116 PolarHBondContact O-N 3.12Å; L116-K118 PolarHBondContact O-N 2.78Å; L116-L119 WeakPolarHBondContact O-CB 3.11Å; L116-L119 PolarHBondContact O-N 3.41Å; L116-Y122 HydrophobicContact CD1-CD1 3.92Å; L116-Y122 HydrophobicContact CD1-CE1 4.2Å; L116-L124 HydrophobicContact CD2-CB 4.13Å; L116-T125 PolarHBondContact O-OG1 3.41Å; L116-L128 HydrophobicContact CD2-CD1 3.96Å
117M95.3Very high94.6Very high6 Ų629.9 Ų29.93%0.0314%0.144CC..THydrogen-bonded Turntrans-67.8-18.7-179.5-54.5-51.7-71.100112.9L114 A115 L119 T125 L128 L133 E135 V138L114-M117 WeakPolarHBondContact O-CB 3.41Å; L114-M117 PolarHBondContact O-N 3Å; L114-M117 VanDerWaalsContact O-N 3.12Å; A115-M117 PolarHBondContact O-N 2.92Å; M117-L119 VanDerWaalsContact C-N 3.32Å; M117-T125 HydrophobicContact CE-CG2 4.34Å; M117-T125 HydrophobicContact SD-CG2 4.24Å; M117-L128 HydrophobicContact CE-CB 4.29Å; M117-L128 HydrophobicContact SD-CB 4.42Å; M117-L128 HydrophobicContact SD-CD1 3.87Å; M117-L133 WeakPolarHBondContact CE-O 3.21Å; M117-E135 HydrophobicContact CB-CB 3.87Å; M117-E135 HydrophobicContact CB-CG 3.98Å; M117-V138 HydrophobicContact CG-CB 4.38Å; M117-V138 HydrophobicContact CG-CG2 3.93Å; M117-V138 HydrophobicContact SD-CG2 4.35Å
118K92.5Very high94.7Very high76 Ų7629.5 Ų29.533%0.3314%0.142SC..THydrogen-bonded Turntrans-71.8-26.3172-59.7-61.8-170.1-179.90112.6A115 L116 K120 E135A115-K118 VanDerWaalsContact O-CB 3.26Å; A115-K118 WeakPolarHBondContact O-CB 3.45Å; A115-K118 PolarHBondContact O-N 2.95Å; L116-K118 PolarHBondContact O-N 2.78Å; K118-K120 PolarHBondContact O-N 3.1Å; K118-E135 VanDerWaalsContact CE-OE1 3.27Å; K118-E135 WeakPolarHBondContact CE-OE1 3.21Å; K118-E135 IonicContact NZ-OE1 2.59Å; K118-E135 PolarHBondContact NZ-OE1 3.36Å; K118-E135 IonicContact NZ-OE2 3.8Å
119L92.1Very high94.8Very high47 Ų4733 Ų3325%0.24616%0.161CC..  trans-80.865.7178-58.5-178.8000111.3I31 L91 L116 M117 N121 Y122 T125I31-L119 HydrophobicContact CD1-CD1 3.52Å; L91-L119 HydrophobicContact CB-CD1 4.27Å; L91-L119 HydrophobicContact CD1-CD1 3.94Å; L91-L119 HydrophobicContact CD1-CG 4.44Å; L116-L119 WeakPolarHBondContact O-CB 3.11Å; L116-L119 PolarHBondContact O-N 3.41Å; M117-L119 VanDerWaalsContact C-N 3.32Å; L119-N121 PolarHBondContact O-N 3.49Å; L119-Y122 WeakPolarHBondContact O-CB 3.28Å; L119-Y122 PolarHBondContact O-N 3.39Å; L119-T125 WeakPolarHBondContact O-CB 3.15Å; L119-T125 PolarHBondContact O-OG1 3.03Å
120K87.6Confident94.7Very high150 Ų15040.2 Ų40.265%0.65219%0.194SC*.THydrogen-bonded Turntrans-51.5-28.9-170-62-175.2-178.9-178.50115.8K118K118-K120 PolarHBondContact O-N 3.1Å
121N88.8Confident94.7Very high136 Ų13644.5 Ų44.573%0.72721%0.214SC*.THydrogen-bonded Turntrans-97-5.5-176.6-70.3-32.1000114.3L119 K126L119-N121 PolarHBondContact O-N 3.49Å; N121-K126 WeakPolarHBondContact O-CE 3.16Å; N121-K126 PolarHBondContact O-NZ 3.08Å
122Y92.7Very high94.5Very high34 Ų3446.2 Ų46.213%0.13323%0.232CC..SBendtrans-73.4144.8-178.6-169.8-107.7000111.6I31 Y70 L116 L119 L124 T125 K126I31-Y122 HydrophobicContact CB-CE1 4.19Å; I31-Y122 HydrophobicContact CD1-CE1 4.38Å; I31-Y122 HydrophobicContact CD1-CE2 4.26Å; I31-Y122 HydrophobicContact CG2-CE1 3.78Å; Y70-Y122 PolarHBondContact OH-OH 3.4Å; L116-Y122 HydrophobicContact CD1-CD1 3.92Å; L116-Y122 HydrophobicContact CD1-CE1 4.2Å; L119-Y122 WeakPolarHBondContact O-CB 3.28Å; L119-Y122 PolarHBondContact O-N 3.39Å; Y122-L124 HydrophobicContact CD1-CB 3.95Å; Y122-L124 HydrophobicContact CD1-CG 4.23Å; Y122-L124 HydrophobicContact CE1-CB 3.85Å; Y122-L124 HydrophobicContact CE1-CD1 3.87Å; Y122-L124 HydrophobicContact CE1-CG 3.63Å; Y122-L124 PolarHBondContact O-N 3.41Å; Y122-T125 PolarHBondContact O-N 3.44Å; Y122-K126 PolarHBondContact O-N 3.22Å
123S92.7Very high94.4Very high47 Ų4746.3 Ų46.333%0.32923%0.233SC..Hα-helixtrans-58.5-47.7-170.8-55.20000112.6T125 K126 Y127S123-T125 PolarHBondContact O-N 3.43Å; S123-K126 WeakPolarHBondContact O-CB 3.48Å; S123-K126 PolarHBondContact O-N 3.42Å; S123-Y127 PolarHBondContact O-N 2.89Å
124L95.7Very high94.2Very high0 Ų048.6 Ų48.60%025%0.245CC..Hα-helixtrans-64.5-39.3179.2-57.2-174.4000112.1W35 F59 E62 V63 V66 L116 Y122 K126 Y127 L128W35-L124 HydrophobicContact CB-CD1 3.93Å; W35-L124 HydrophobicContact CD2-CD1 4.49Å; W35-L124 HydrophobicContact CG-CD1 3.84Å; F59-L124 HydrophobicContact CE2-CB 4.17Å; F59-L124 HydrophobicContact CE2-CD2 4.08Å; F59-L124 HydrophobicContact CZ-CB 4.41Å; E62-L124 HydrophobicContact CG-CD2 4.37Å; V63-L124 HydrophobicContact CB-CD2 4.46Å; V63-L124 HydrophobicContact CG2-CD1 3.92Å; V63-L124 HydrophobicContact CG2-CD2 3.78Å; V66-L124 HydrophobicContact CG2-CD2 3.89Å; V66-L124 HydrophobicContact CG2-CG 4.48Å; L116-L124 HydrophobicContact CD2-CB 4.13Å; Y122-L124 HydrophobicContact CD1-CB 3.95Å; Y122-L124 HydrophobicContact CD1-CG 4.23Å; Y122-L124 HydrophobicContact CE1-CB 3.85Å; Y122-L124 HydrophobicContact CE1-CD1 3.87Å; Y122-L124 HydrophobicContact CE1-CG 3.63Å; Y122-L124 PolarHBondContact O-N 3.41Å; L124-K126 VanDerWaalsContact C-N 3.34Å; L124-K126 PolarHBondContact O-N 2.9Å; L124-Y127 PolarHBondContact O-N 3.18Å; L124-L128 WeakPolarHBondContact O-CG 3.4Å; L124-L128 PolarHBondContact O-N 2.91Å
125T95.9Very high94.1Very high0 Ų051.1 Ų51.10%026%0.256CS..Hα-helixtrans-64-40.1176.4-48.40000111.5L116 M117 L119 Y122 S123 N129L116-T125 PolarHBondContact O-OG1 3.41Å; M117-T125 HydrophobicContact CE-CG2 4.34Å; M117-T125 HydrophobicContact SD-CG2 4.24Å; L119-T125 WeakPolarHBondContact O-CB 3.15Å; L119-T125 PolarHBondContact O-OG1 3.03Å; Y122-T125 PolarHBondContact O-N 3.44Å; S123-T125 PolarHBondContact O-N 3.43Å; T125-N129 PolarHBondContact O-N 2.95Å; T125-N129 VanDerWaalsContact O-N 3.1Å; T125-N129 PolarHBondContact O-ND2 3.38Å
126K95.9Very high94Very high100 Ų10059.1 Ų59.144%0.43529%0.291SS..Hα-helixtrans-63.6-44.1175-73.8174177159.80111.5N121 Y122 S123 L124 N129 Q130N121-K126 WeakPolarHBondContact O-CE 3.16Å; N121-K126 PolarHBondContact O-NZ 3.08Å; Y122-K126 PolarHBondContact O-N 3.22Å; S123-K126 WeakPolarHBondContact O-CB 3.48Å; S123-K126 PolarHBondContact O-N 3.42Å; L124-K126 VanDerWaalsContact C-N 3.34Å; L124-K126 PolarHBondContact O-N 2.9Å; K126-N129 PolarHBondContact O-N 2.99Å; K126-Q130 VanDerWaalsContact O-CG 3.3Å; K126-Q130 WeakPolarHBondContact O-CG 3.35Å; K126-Q130 PolarHBondContact O-N 3.5Å
127Y95.9Very high93.8Very high20 Ų2063 Ų638%0.07831%0.309CS..Hα-helixtrans-59.7-49.7176.9178.2-91.6000111.5Q58 F59 E62 S123 L124 N129 Q130 Q131Q58-Y127 WeakPolarHBondContact CB-OH 3.08Å; F59-Y127 HydrophobicContact CB-CE1 3.85Å; F59-Y127 AromaticContact CD2-CD1 3.39Å; F59-Y127 HydrophobicContact CD2-CD1 3.39Å; F59-Y127 AromaticContact CD2-CE1 3.52Å; F59-Y127 HydrophobicContact CD2-CE1 3.52Å; F59-Y127 HydrophobicContact CD2-CG 4.42Å; F59-Y127 AromaticContact CE2-CD1 3.88Å; F59-Y127 HydrophobicContact CE2-CD1 3.88Å; F59-Y127 HydrophobicContact CE2-CE1 4.43Å; F59-Y127 HydrophobicContact CG-CD1 4.27Å; F59-Y127 AromaticContact CG-CE1 3.99Å; F59-Y127 HydrophobicContact CG-CE1 3.99Å; E62-Y127 HydrophobicContact CB-CD2 4.13Å; E62-Y127 HydrophobicContact CB-CE2 4.28Å; E62-Y127 HydrophobicContact CB-CG 4.27Å; E62-Y127 HydrophobicContact CG-CD1 4.5Å; E62-Y127 HydrophobicContact CG-CD2 3.72Å; E62-Y127 HydrophobicContact CG-CE2 4.34Å; E62-Y127 HydrophobicContact CG-CG 3.82Å; S123-Y127 PolarHBondContact O-N 2.89Å; L124-Y127 PolarHBondContact O-N 3.18Å; Y127-N129 VanDerWaalsContact C-N 3.34Å; Y127-N129 PolarHBondContact O-N 3.23Å; Y127-Q130 WeakPolarHBondContact O-CA 3.37Å; Y127-Q130 WeakPolarHBondContact O-CB 3.46Å; Y127-Q130 PolarHBondContact O-N 3.1Å; Y127-Q131 HydrophobicContact CD1-CG 4.1Å; Y127-Q131 HydrophobicContact CE1-CG 3.61Å; Y127-Q131 HydrophobicContact CE2-CG 4.26Å; Y127-Q131 WeakPolarHBondContact O-CG 3.48Å; Y127-Q131 PolarHBondContact O-N 3.45Å
128L97.1Very high93.8Very high0 Ų062.7 Ų62.70%031%0.308CS..Hα-helixtrans-57.9-44.7178.4-70.1176.5000112.1Y49 I54 F59 L116 M117 L124 Q130 Q131 G132 L133Y49-L128 HydrophobicContact CD1-CD2 4.17Å; Y49-L128 HydrophobicContact CE1-CD1 3.83Å; Y49-L128 HydrophobicContact CE1-CD2 3.84Å; I54-L128 HydrophobicContact CD1-CD2 4.25Å; I54-L128 HydrophobicContact CG1-CD2 4.22Å; F59-L128 HydrophobicContact CD1-CD2 4.17Å; F59-L128 HydrophobicContact CD2-CD2 4.29Å; F59-L128 HydrophobicContact CE1-CD1 4.46Å; F59-L128 HydrophobicContact CE1-CD2 3.83Å; F59-L128 HydrophobicContact CE1-CG 4.43Å; F59-L128 HydrophobicContact CE2-CD2 3.95Å; F59-L128 HydrophobicContact CE2-CG 4.05Å; F59-L128 HydrophobicContact CG-CD2 4.41Å; F59-L128 HydrophobicContact CZ-CD1 3.94Å; F59-L128 HydrophobicContact CZ-CD2 3.71Å; F59-L128 HydrophobicContact CZ-CG 3.86Å; L116-L128 HydrophobicContact CD2-CD1 3.96Å; M117-L128 HydrophobicContact CE-CB 4.29Å; M117-L128 HydrophobicContact SD-CB 4.42Å; M117-L128 HydrophobicContact SD-CD1 3.87Å; L124-L128 WeakPolarHBondContact O-CG 3.4Å; L124-L128 PolarHBondContact O-N 2.91Å; L128-Q130 VanDerWaalsContact C-N 3.3Å; L128-Q130 PolarHBondContact O-N 2.94Å; L128-Q131 CarbonylContact O-C 3.58Å; L128-Q131 PolarHBondContact O-N 2.83Å; L128-Q131 VanDerWaalsContact O-N 3.16Å; L128-G132 PolarHBondContact O-N 3.38Å; L128-L133 CarbonylContact C-O 3.53Å; L128-L133 VanDerWaalsContact C-O 3.29Å; L128-L133 HydrophobicContact CD2-CD2 4.26Å; L128-L133 PolarHBondContact O-N 2.9Å
129N95.7Very high93.9Very high73 Ų7362 Ų6239%0.3931%0.306SS..Hα-helixtrans-63-34.2175.6-76.4-69.1000112.8T125 K126 Y127 Q131 G132 L133 N134T125-N129 PolarHBondContact O-N 2.95Å; T125-N129 VanDerWaalsContact O-N 3.1Å; T125-N129 PolarHBondContact O-ND2 3.38Å; K126-N129 PolarHBondContact O-N 2.99Å; Y127-N129 VanDerWaalsContact C-N 3.34Å; Y127-N129 PolarHBondContact O-N 3.23Å; N129-Q131 VanDerWaalsContact C-N 3.34Å; N129-G132 PolarHBondContact O-N 3.46Å; N129-L133 PolarHBondContact N-O 3.24Å; N129-N134 WeakPolarHBondContact OD1-CA 3.45Å; N129-N134 WeakPolarHBondContact OD1-CB 3.39Å
130Q94.7Very high93.9Very high152 Ų15265.6 Ų65.671%0.7132%0.319SS*.Hα-helixtrans-69.8-32.2175.7-72.9170.58.600112.4K126 Y127 L128 G132K126-Q130 VanDerWaalsContact O-CG 3.3Å; K126-Q130 WeakPolarHBondContact O-CG 3.35Å; K126-Q130 PolarHBondContact O-N 3.5Å; Y127-Q130 WeakPolarHBondContact O-CA 3.37Å; Y127-Q130 WeakPolarHBondContact O-CB 3.46Å; Y127-Q130 PolarHBondContact O-N 3.1Å; L128-Q130 VanDerWaalsContact C-N 3.3Å; L128-Q130 PolarHBondContact O-N 2.94Å; Q130-G132 PolarHBondContact O-N 3.32Å
131Q94.2Very high94Very high90 Ų9060.4 Ų60.442%0.42130%0.299SS..THydrogen-bonded Turntrans-79.64.3172.6-61.1-55.7-40.100113.1I54 Y127 L128 N129I54-Q131 HydrophobicContact CD1-CB 3.52Å; I54-Q131 HydrophobicContact CD1-CG 4.41Å; Y127-Q131 HydrophobicContact CD1-CG 4.1Å; Y127-Q131 HydrophobicContact CE1-CG 3.61Å; Y127-Q131 HydrophobicContact CE2-CG 4.26Å; Y127-Q131 WeakPolarHBondContact O-CG 3.48Å; Y127-Q131 PolarHBondContact O-N 3.45Å; L128-Q131 CarbonylContact O-C 3.58Å; L128-Q131 PolarHBondContact O-N 2.83Å; L128-Q131 VanDerWaalsContact O-N 3.16Å; N129-Q131 VanDerWaalsContact C-N 3.34Å
132G91.7Very high94.1Very high36 Ų3654 Ų5437%0.37126%0.264SS..THydrogen-bonded Turntrans99.8-32178.600000113.8L128 N129 Q130 N134L128-G132 PolarHBondContact O-N 3.38Å; N129-G132 PolarHBondContact O-N 3.46Å; Q130-G132 PolarHBondContact O-N 3.32Å; G132-N134 PolarHBondContact O-N 3.01Å; G132-N134 PolarHBondContact O-ND2 3.38Å
133L95Very high93.9Very high3 Ų356.7 Ų56.72%0.01628%0.278CS..  trans-69.695.9-174.1-170.863.4000112.5Y49 A52 I54 M117 L128 N129 E137 V138Y49-L133 HydrophobicContact CD1-CD2 3.84Å; Y49-L133 HydrophobicContact CE1-CD2 3.92Å; A52-L133 HydrophobicContact CB-CD1 3.88Å; A52-L133 HydrophobicContact CB-CD2 3.91Å; I54-L133 HydrophobicContact CD1-CB 3.77Å; I54-L133 HydrophobicContact CD1-CD2 4.28Å; I54-L133 HydrophobicContact CG1-CB 4.2Å; I54-L133 HydrophobicContact CG1-CD2 3.77Å; M117-L133 WeakPolarHBondContact CE-O 3.21Å; L128-L133 CarbonylContact C-O 3.53Å; L128-L133 VanDerWaalsContact C-O 3.29Å; L128-L133 HydrophobicContact CD2-CD2 4.26Å; L128-L133 PolarHBondContact O-N 2.9Å; N129-L133 PolarHBondContact N-O 3.24Å; L133-E137 VanDerWaalsContact CA-OE2 3.29Å; L133-E137 WeakPolarHBondContact CA-OE2 3.49Å; L133-E137 HydrophobicContact CD1-CB 3.8Å; L133-V138 HydrophobicContact CD1-CG2 3.76Å; L133-V138 HydrophobicContact CD2-CG2 3.95Å; L133-V138 HydrophobicContact CG-CG2 3.64Å
134N94.2Very high93.5Very high47 Ų4759.6 Ų59.625%0.25129%0.29SS..  trans-100.6172.3177.963.368.2000112.5N129 G132 K136 E137 V138N129-N134 WeakPolarHBondContact OD1-CA 3.45Å; N129-N134 WeakPolarHBondContact OD1-CB 3.39Å; G132-N134 PolarHBondContact O-N 3.01Å; G132-N134 PolarHBondContact O-ND2 3.38Å; N134-K136 PolarHBondContact O-N 3.16Å; N134-K136 VanDerWaalsContact O-N 3.15Å; N134-K136 WeakPolarHBondContact OD1-CB 3.26Å; N134-K136 PolarHBondContact OD1-N 3.36Å; N134-E137 PolarHBondContact N-OE2 3.17Å; N134-E137 PolarHBondContact ND2-OE1 2.82Å; N134-E137 PolarHBondContact O-N 3.13Å; N134-E137 VanDerWaalsContact O-N 3.08Å; N134-E137 PolarHBondContact OD1-N 2.98Å; N134-V138 PolarHBondContact O-N 3.4Å
135E94.7Very high92.9Very high57 Ų5761.1 Ų61.127%0.26630%0.298SS..Hα-helixtrans-53.1-38.5-177.8-171.2-173.5153.500113.4L114 M117 K118 Q139L114-E135 HydrophobicContact CD1-CG 4.14Å; M117-E135 HydrophobicContact CB-CB 3.87Å; M117-E135 HydrophobicContact CB-CG 3.98Å; K118-E135 VanDerWaalsContact CE-OE1 3.27Å; K118-E135 WeakPolarHBondContact CE-OE1 3.21Å; K118-E135 IonicContact NZ-OE1 2.59Å; K118-E135 PolarHBondContact NZ-OE1 3.36Å; K118-E135 IonicContact NZ-OE2 3.8Å; E135-Q139 WeakPolarHBondContact O-CB 3.47Å; E135-Q139 PolarHBondContact O-N 3.37Å
136K94Very high92.4Very high168 Ų16861.5 Ų61.573%0.7330%0.299SS*.Hα-helixtrans-70.4-37.1-179-67.5-176.7176.7-179.20111.9N134 K140N134-K136 PolarHBondContact O-N 3.16Å; N134-K136 VanDerWaalsContact O-N 3.15Å; N134-K136 WeakPolarHBondContact OD1-CB 3.26Å; N134-K136 PolarHBondContact OD1-N 3.36Å; K136-K140 WeakPolarHBondContact O-CB 3.36Å; K136-K140 PolarHBondContact O-N 3.14Å
137E93.4Very high91.3Very high80 Ų8059.2 Ų59.237%0.37430%0.304SS..Hα-helixtrans-71.2-41.7178.3-72.9165.5-162.400111.3L133 N134 Q139 K140 N141L133-E137 VanDerWaalsContact CA-OE2 3.29Å; L133-E137 WeakPolarHBondContact CA-OE2 3.49Å; L133-E137 HydrophobicContact CD1-CB 3.8Å; N134-E137 PolarHBondContact N-OE2 3.17Å; N134-E137 PolarHBondContact ND2-OE1 2.82Å; N134-E137 PolarHBondContact O-N 3.13Å; N134-E137 VanDerWaalsContact O-N 3.08Å; N134-E137 PolarHBondContact OD1-N 2.98Å; E137-Q139 VanDerWaalsContact C-N 3.34Å; E137-Q139 PolarHBondContact O-N 2.95Å; E137-K140 PolarHBondContact O-N 3.12Å; E137-N141 PolarHBondContact O-N 3.33Å; E137-N141 PolarHBondContact O-OD1 2.85Å
138V95.4Very high90.3Very high0 Ų061.6 Ų61.60%033%0.334CS..Hα-helixtrans-58.7-47.7171.91770000110.5F48 I113 L114 M117 L133 N134 K140 N141 I142F48-V138 HydrophobicContact CE1-CG1 4.08Å; F48-V138 HydrophobicContact CZ-CG1 3.97Å; I113-V138 HydrophobicContact CG2-CG1 4Å; L114-V138 HydrophobicContact CB-CG1 4.18Å; L114-V138 HydrophobicContact CD1-CB 4.21Å; L114-V138 HydrophobicContact CD1-CG1 3.89Å; M117-V138 HydrophobicContact CG-CB 4.38Å; M117-V138 HydrophobicContact CG-CG2 3.93Å; M117-V138 HydrophobicContact SD-CG2 4.35Å; L133-V138 HydrophobicContact CD1-CG2 3.76Å; L133-V138 HydrophobicContact CD2-CG2 3.95Å; L133-V138 HydrophobicContact CG-CG2 3.64Å; N134-V138 PolarHBondContact O-N 3.4Å; V138-K140 VanDerWaalsContact C-N 3.34Å; V138-K140 PolarHBondContact O-N 2.92Å; V138-N141 PolarHBondContact O-N 3.24Å; V138-I142 HydrophobicContact CG1-CD1 4Å; V138-I142 VanDerWaalsContact O-CG1 3.31Å; V138-I142 WeakPolarHBondContact O-CG1 3.47Å; V138-I142 PolarHBondContact O-N 2.82Å
139Q94.1Very high89.5Confident62 Ų6264.3 Ų64.329%0.2935%0.349SS..Hα-helixtrans-60-44.2177.7-176.5178.2-15.300111.7F102 L114 E135 E137 I142 E143F102-Q139 HydrophobicContact CZ-CG 4.47Å; L114-Q139 HydrophobicContact CD1-CB 4.12Å; E135-Q139 WeakPolarHBondContact O-CB 3.47Å; E135-Q139 PolarHBondContact O-N 3.37Å; E137-Q139 VanDerWaalsContact C-N 3.34Å; E137-Q139 PolarHBondContact O-N 2.95Å; Q139-I142 PolarHBondContact O-N 3.16Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.24Å; Q139-E143 PolarHBondContact NE2-OE1 3.01Å; Q139-E143 WeakPolarHBondContact O-CG 3.15Å; Q139-E143 PolarHBondContact O-N 3.15Å
140K91.9Very high89.1Confident122 Ų12266.9 Ų66.953%0.5335%0.353SS..Hα-helixtrans-60.8-46177.3-173.9-170.6171.5-162.10111.7K136 E137 V138 I142 E143 D144K136-K140 WeakPolarHBondContact O-CB 3.36Å; K136-K140 PolarHBondContact O-N 3.14Å; E137-K140 PolarHBondContact O-N 3.12Å; V138-K140 VanDerWaalsContact C-N 3.34Å; V138-K140 PolarHBondContact O-N 2.92Å; K140-I142 VanDerWaalsContact C-N 3.28Å; K140-I142 PolarHBondContact O-N 2.98Å; K140-E143 PolarHBondContact O-N 2.87Å; K140-E143 VanDerWaalsContact O-N 3.15Å; K140-D144 WeakPolarHBondContact CE-OD2 3.48Å; K140-D144 WeakPolarHBondContact O-CB 3.48Å; K140-D144 VanDerWaalsContact O-CG 3.32Å; K140-D144 PolarHBondContact O-N 2.88Å
141N90.1Very high88.9Confident42 Ų4259.6 Ų59.623%0.22532%0.319CS..Hα-helixtrans-62-37.2178.5-70.7-4.4000111.9F48 A52 E137 V138 M145F48-N141 HydrophobicContact CE2-CB 3.98Å; F48-N141 HydrophobicContact CZ-CB 3.83Å; A52-N141 WeakPolarHBondContact CA-ND2 3.29Å; A52-N141 WeakPolarHBondContact CB-ND2 3.39Å; E137-N141 PolarHBondContact O-N 3.33Å; E137-N141 PolarHBondContact O-OD1 2.85Å; V138-N141 PolarHBondContact O-N 3.24Å; N141-M145 WeakPolarHBondContact O-CB 3.12Å; N141-M145 PolarHBondContact O-N 2.86Å
142I92Very high88.5Confident0 Ų058.7 Ų58.70%032%0.32CS..Hα-helixtrans-64.7-46.4173.6-67.6170.7000110.9F48 E110 L114 V138 Q139 K140 M145 R146F48-I142 HydrophobicContact CE2-CG1 3.69Å; F48-I142 HydrophobicContact CZ-CD1 4.45Å; F48-I142 HydrophobicContact CZ-CG1 3.81Å; E110-I142 HydrophobicContact CB-CD1 4.03Å; E110-I142 HydrophobicContact CB-CG1 3.94Å; E110-I142 HydrophobicContact CG-CD1 4.19Å; E110-I142 HydrophobicContact CG-CG1 4.03Å; E110-I142 HydrophobicContact CG-CG2 4Å; E110-I142 VanDerWaalsContact O-CD1 3.25Å; E110-I142 WeakPolarHBondContact O-CD1 3.47Å; L114-I142 HydrophobicContact CB-CD1 3.78Å; L114-I142 HydrophobicContact CD2-CD1 4.21Å; L114-I142 HydrophobicContact CG-CD1 4.44Å; V138-I142 HydrophobicContact CG1-CD1 4Å; V138-I142 VanDerWaalsContact O-CG1 3.31Å; V138-I142 WeakPolarHBondContact O-CG1 3.47Å; V138-I142 PolarHBondContact O-N 2.82Å; Q139-I142 PolarHBondContact O-N 3.16Å; K140-I142 VanDerWaalsContact C-N 3.28Å; K140-I142 PolarHBondContact O-N 2.98Å; I142-M145 PolarHBondContact O-N 2.88Å; I142-R146 HydrophobicContact CG2-CG 4.26Å; I142-R146 VanDerWaalsContact O-CB 3.26Å; I142-R146 WeakPolarHBondContact O-CB 3.48Å; I142-R146 VanDerWaalsContact O-CG 3.28Å; I142-R146 WeakPolarHBondContact O-CG 3.46Å; I142-R146 PolarHBondContact O-N 2.82Å
143E88.1Confident88.3Confident92 Ų9258 Ų5843%0.4331%0.309SS..Hα-helixtrans-62.1-43.8178.5-73.3172.8-171.700111.6Q139 K140 G147Q139-E143 WeakPolarHBondContact CG-OE1 3.24Å; Q139-E143 PolarHBondContact NE2-OE1 3.01Å; Q139-E143 WeakPolarHBondContact O-CG 3.15Å; Q139-E143 PolarHBondContact O-N 3.15Å; K140-E143 PolarHBondContact O-N 2.87Å; K140-E143 VanDerWaalsContact O-N 3.15Å; E143-G147 WeakPolarHBondContact O-CA 3.45Å; E143-G147 PolarHBondContact O-N 3.32Å
144D83.9Confident87.9Confident107 Ų10761.5 Ų61.557%0.57233%0.325SS*.Hα-helixtrans-65.5-45.9178.2-71.9-19.2000111.1K140 G147K140-D144 WeakPolarHBondContact CE-OD2 3.48Å; K140-D144 WeakPolarHBondContact O-CB 3.48Å; K140-D144 VanDerWaalsContact O-CG 3.32Å; K140-D144 PolarHBondContact O-N 2.88Å; D144-G147 PolarHBondContact O-N 3.45Å
145M84Confident87.4Confident32 Ų3260.2 Ų60.216%0.15832%0.318CS..Hα-helixtrans-65.8-43.2178.5-179.9-167.169.600112.5F44 F48 E110 N141 I142 G147 Y160F44-M145 HydrophobicContact CE2-CE 4.25Å; F44-M145 HydrophobicContact CE2-SD 3.65Å; F44-M145 HydrophobicContact CZ-CE 3.74Å; F44-M145 HydrophobicContact CZ-SD 3.55Å; F44-M145 VanDerWaalsContact CZ-SD 3.55Å; F48-M145 HydrophobicContact CD2-SD 4.28Å; E110-M145 HydrophobicContact CB-CE 4.26Å; E110-M145 HydrophobicContact CG-CE 3.92Å; N141-M145 WeakPolarHBondContact O-CB 3.12Å; N141-M145 PolarHBondContact O-N 2.86Å; I142-M145 PolarHBondContact O-N 2.88Å; M145-G147 VanDerWaalsContact C-N 3.34Å; M145-Y160 HydrophobicContact CE-CD2 3.7Å; M145-Y160 HydrophobicContact CE-CE2 3.69Å; M145-Y160 HydrophobicContact CE-CG 4.19Å; M145-Y160 HydrophobicContact CG-CD2 4.42Å; M145-Y160 HydrophobicContact CG-CG 4.12Å; M145-Y160 HydrophobicContact SD-CD2 3.97Å; M145-Y160 HydrophobicContact SD-CG 4.26Å
146R85.2Confident87Confident9 Ų958.3 Ų58.33%0.03431%0.309CS..Hα-helixtrans-74.8-25.5178.5-70.9-177.6173-166.90.1112.3D104 S108 E110 I142 G148 D149 Y160D104-R146 IonicContact OD1-NH1 3.29Å; D104-R146 PolarHBondContact OD1-NH1 3.19Å; D104-R146 IonicContact OD2-CZ 3.37Å; D104-R146 IonicContact OD2-NH1 2.72Å; D104-R146 PolarHBondContact OD2-NH1 2.9Å; D104-R146 IonicContact OD2-NH2 2.84Å; D104-R146 PolarHBondContact OD2-NH2 3.31Å; D104-R146 VanDerWaalsContact OD2-NH2 3.09Å; S108-R146 PolarHBondContact OG-NH2 3.45Å; S108-R146 VanDerWaalsContact OG-NH2 3.11Å; E110-R146 IonicContact OE1-CZ 3.63Å; E110-R146 IonicContact OE1-NE 2.82Å; E110-R146 PolarHBondContact OE1-NE 3.36Å; E110-R146 IonicContact OE1-NH2 2.83Å; E110-R146 PolarHBondContact OE1-NH2 3.18Å; I142-R146 HydrophobicContact CG2-CG 4.26Å; I142-R146 VanDerWaalsContact O-CB 3.26Å; I142-R146 WeakPolarHBondContact O-CB 3.48Å; I142-R146 VanDerWaalsContact O-CG 3.28Å; I142-R146 WeakPolarHBondContact O-CG 3.46Å; I142-R146 PolarHBondContact O-N 2.82Å; R146-G148 PolarHBondContact O-N 2.89Å; R146-G148 VanDerWaalsContact O-N 3.12Å; R146-D149 WeakPolarHBondContact O-CB 3.43Å; R146-D149 PolarHBondContact O-N 2.93Å; R146-Y160 HydrophobicContact CB-CE1 4.44Å; R146-Y160 HydrophobicContact CG-CE1 3.79Å; R146-Y160 PolarHBondContact NE-OH 3.17Å
147G73Confident86.5Confident52 Ų5250.7 Ų50.754%0.53628%0.276SS..THydrogen-bonded Turntrans54.231.9-174.500000113.2E143 D144 M145E143-G147 WeakPolarHBondContact O-CA 3.45Å; E143-G147 PolarHBondContact O-N 3.32Å; D144-G147 PolarHBondContact O-N 3.45Å; M145-G147 VanDerWaalsContact C-N 3.34Å
148G73.3Confident85.8Confident69 Ų6948.7 Ų48.771%0.71127%0.267SS*.THydrogen-bonded Turntrans84.61.3-176.600000116.4R146R146-G148 PolarHBondContact O-N 2.89Å; R146-G148 VanDerWaalsContact O-N 3.12Å
149D81.1Confident85Confident57 Ų5749.7 Ų49.731%0.30527%0.273SS..  trans-71.1152.2173.7-71.4-43.2000111.7R146 K266 K270R146-D149 WeakPolarHBondContact O-CB 3.43Å; R146-D149 PolarHBondContact O-N 2.93Å; D149-K266 IonicContact OD1-NZ 3.09Å; D149-K266 PolarHBondContact OD1-NZ 2.98Å; D149-K266 IonicContact OD2-NZ 3.35Å; D149-K266 PolarHBondContact OD2-NZ 2.82Å; D149-K270 IonicContact OD2-NZ 3.26Å
150R87.3Confident84.3Confident127 Ų12747.7 Ų47.748%0.47926%0.263SS..  trans-104.5153.6176.6-58.6-175.5-59.6146.71.2109.9N103 D104 T152 Q156N103-R150 WeakPolarHBondContact O-CD 3.39Å; N103-R150 PolarHBondContact O-NH1 3.39Å; D104-R150 WeakPolarHBondContact OD1-CA 3.29Å; R150-T152 HydrophobicContact CB-CG2 4.22Å; R150-T152 PolarHBondContact O-N 2.77Å; R150-Q156 PolarHBondContact O-OE1 3.46Å
151V89.9Confident83.6Confident0 Ų045.6 Ų45.60%025%0.254CS..  trans-79.1102176.6-172.70000109.5T7 D104 D105 F106 Q156T7-V151 HydrophobicContact CG2-CG1 3.81Å; D104-V151 HydrophobicContact CB-CB 3.95Å; D104-V151 HydrophobicContact CB-CG2 4.33Å; D104-V151 PolarHBondContact OD1-N 3.03Å; D105-V151 PolarHBondContact N-O 3.08Å; F106-V151 HydrophobicContact CB-CG1 3.83Å; F106-V151 PolarHBondContact N-O 2.89Å; V151-Q156 HydrophobicContact CB-CB 4.4Å; V151-Q156 HydrophobicContact CB-CG 4.22Å; V151-Q156 HydrophobicContact CG1-CB 3.64Å; V151-Q156 HydrophobicContact CG1-CG 4Å; V151-Q156 HydrophobicContact CG2-CG 4.19Å
152T86.8Confident83.3Confident71 Ų7143.6 Ų43.644%0.43624%0.244SC..  trans-117.9-5.2-174.257.30000113.6F106 R150F106-T152 WeakPolarHBondContact CE2-O 3.21Å; R150-T152 HydrophobicContact CB-CG2 4.22Å; R150-T152 PolarHBondContact O-N 2.77Å
153S86.3Confident83.1Confident20 Ų2044 Ų4414%0.1425%0.245CC..SBendtrans-129.9160.4174710000111.1N155 Q156 E259S153-N155 PolarHBondContact O-N 2.84Å; S153-Q156 PolarHBondContact OG-N 2.89Å; S153-E259 VanDerWaalsContact CB-OE1 3.27Å; S153-E259 WeakPolarHBondContact CB-OE1 3.38Å; S153-E259 PolarHBondContact OG-OE1 3.13Å
154Q87.4Confident82.9Confident77 Ų7745.9 Ų45.936%0.3625%0.254SS..THydrogen-bonded Turntrans-68.6-19.8175.8-73.2-178.4-28.800112.7E4 T7 T8 F106E4-Q154 PolarHBondContact O-NE2 3.02Å; T7-Q154 CarbonylContact C-O 2.98Å; T7-Q154 WeakPolarHBondContact CA-O 3.5Å; T7-Q154 WeakPolarHBondContact CB-O 3.39Å; T8-Q154 PolarHBondContact N-O 2.97Å; T8-Q154 PolarHBondContact OG1-O 3.04Å; F106-Q154 HydrophobicContact CD1-CG 3.62Å; F106-Q154 HydrophobicContact CE1-CG 3.31Å; F106-Q154 HydrophobicContact CG-CG 4.42Å; F106-Q154 HydrophobicContact CZ-CG 3.87Å
155N83.7Confident82.9Confident21 Ų2145.9 Ų45.911%0.11225%0.249CC..THydrogen-bonded Turntrans-108.224.7-177.6-62.8-25000111.9T8 S153 E157 E158 E256T8-N155 VanDerWaalsContact CB-OD1 3.31Å; T8-N155 WeakPolarHBondContact CB-OD1 3.42Å; T8-N155 PolarHBondContact OG1-OD1 3.36Å; S153-N155 PolarHBondContact O-N 2.84Å; N155-E157 VanDerWaalsContact C-N 3.26Å; N155-E157 PolarHBondContact O-N 2.78Å; N155-E158 HydrophobicContact CB-CG 4.43Å; N155-E158 WeakPolarHBondContact O-CB 3.25Å; N155-E158 PolarHBondContact O-N 2.7Å; N155-E256 PolarHBondContact ND2-OE1 3.41Å
156Q86.3Confident83.2Confident16 Ų1644.7 Ų44.78%0.07524%0.243CC..G310 helixtrans-58-37-173.2-169.176.756.500112.7R150 V151 S153 E158 T159 Y160R150-Q156 PolarHBondContact O-OE1 3.46Å; V151-Q156 HydrophobicContact CB-CB 4.4Å; V151-Q156 HydrophobicContact CB-CG 4.22Å; V151-Q156 HydrophobicContact CG1-CB 3.64Å; V151-Q156 HydrophobicContact CG1-CG 4Å; V151-Q156 HydrophobicContact CG2-CG 4.19Å; S153-Q156 PolarHBondContact OG-N 2.89Å; Q156-E158 PolarHBondContact O-N 3.49Å; Q156-E158 VanDerWaalsContact O-N 3.1Å; Q156-T159 PolarHBondContact NE2-OG1 2.96Å; Q156-T159 WeakPolarHBondContact O-CB 3.34Å; Q156-T159 PolarHBondContact O-N 3.33Å; Q156-T159 PolarHBondContact O-OG1 3.25Å; Q156-Y160 HydrophobicContact CG-CE1 4.05Å; Q156-Y160 HydrophobicContact CG-CE2 4.48Å; Q156-Y160 WeakPolarHBondContact CG-OH 3.26Å
157E84.2Confident83.5Confident8 Ų844.6 Ų44.64%0.03725%0.245CC..G310 helixtrans-58.3-25178.8-66.894.1148.500113.1T7 F44 S108 T109 N155 T159 Y160T7-E157 VanDerWaalsContact CB-OE1 3.28Å; T7-E157 WeakPolarHBondContact CB-OE1 3.4Å; T7-E157 WeakPolarHBondContact CB-OE2 3.45Å; T7-E157 WeakPolarHBondContact CG2-OE2 3.47Å; T7-E157 PolarHBondContact OG1-OE1 3.09Å; T7-E157 PolarHBondContact OG1-OE2 2.85Å; F44-E157 HydrophobicContact CD1-CG 4.26Å; F44-E157 HydrophobicContact CD2-CB 3.96Å; F44-E157 HydrophobicContact CD2-CG 4.2Å; F44-E157 HydrophobicContact CE1-CG 4.41Å; F44-E157 HydrophobicContact CE2-CB 4.36Å; F44-E157 HydrophobicContact CE2-CG 4.36Å; F44-E157 HydrophobicContact CG-CB 4.21Å; F44-E157 HydrophobicContact CG-CG 4.16Å; F44-E157 HydrophobicContact CZ-CG 4.46Å; S108-E157 WeakPolarHBondContact CB-OE1 3.38Å; T109-E157 PolarHBondContact N-OE1 2.87Å; T109-E157 PolarHBondContact OG1-OE1 3.24Å; T109-E157 VanDerWaalsContact OG1-OE1 3.12Å; N155-E157 VanDerWaalsContact C-N 3.26Å; N155-E157 PolarHBondContact O-N 2.78Å; E157-T159 PolarHBondContact O-N 3.04Å; E157-Y160 HydrophobicContact CB-CD2 4.46Å; E157-Y160 HydrophobicContact CB-CE2 4.45Å; E157-Y160 HydrophobicContact CG-CE2 4.26Å
158E78.6Confident84.4Confident39 Ų3944.8 Ų44.818%0.18224%0.236CC..G310 helixtrans-74.2-15.6176.2-56-166.9149.100113.5N155 Q156 Y166 R260N155-E158 HydrophobicContact CB-CG 4.43Å; N155-E158 WeakPolarHBondContact O-CB 3.25Å; N155-E158 PolarHBondContact O-N 2.7Å; Q156-E158 PolarHBondContact O-N 3.49Å; Q156-E158 VanDerWaalsContact O-N 3.1Å; E158-Y166 WeakPolarHBondContact O-CE2 3.41Å; E158-Y166 PolarHBondContact O-OH 3.01Å; E158-R260 IonicContact OE1-CZ 2.68Å; E158-R260 IonicContact OE1-NH2 2.99Å; E158-R260 PolarHBondContact OE1-NH2 3.38Å; E158-R260 IonicContact OE2-CZ 3Å; E158-R260 IonicContact OE2-NE 2.84Å; E158-R260 PolarHBondContact OE2-NE 3.08Å; E158-R260 IonicContact OE2-NH2 4Å; E158-R260 PolarHBondContact OE2-NH2 3.32Å
159T76.8Confident85.4Confident21 Ų2143.3 Ų43.313%0.12921%0.211CC..G310 helixtrans-93-10.6-176.169.40000113.7Q156 E157 E259 A263Q156-T159 PolarHBondContact NE2-OG1 2.96Å; Q156-T159 WeakPolarHBondContact O-CB 3.34Å; Q156-T159 PolarHBondContact O-N 3.33Å; Q156-T159 PolarHBondContact O-OG1 3.25Å; E157-T159 PolarHBondContact O-N 3.04Å; T159-E259 HydrophobicContact CG2-CG 4.14Å; T159-A263 HydrophobicContact CG2-CB 4.17Å
160Y80.2Confident86Confident19 Ų1940.9 Ų40.98%0.07520%0.199CC..THydrogen-bonded Turntrans-79.8134.1179.4-56.2-44.8000111.1F44 E110 M145 R146 Q156 E157 A162F44-Y160 AromaticContact CE2-CD2 3.83Å; F44-Y160 HydrophobicContact CE2-CD2 3.83Å; F44-Y160 HydrophobicContact CE2-CE2 4.41Å; F44-Y160 HydrophobicContact CZ-CD2 4.32Å; E110-Y160 WeakPolarHBondContact OE1-CE2 3.35Å; E110-Y160 PolarHBondContact OE1-OH 3.11Å; M145-Y160 HydrophobicContact CE-CD2 3.7Å; M145-Y160 HydrophobicContact CE-CE2 3.69Å; M145-Y160 HydrophobicContact CE-CG 4.19Å; M145-Y160 HydrophobicContact CG-CD2 4.42Å; M145-Y160 HydrophobicContact CG-CG 4.12Å; M145-Y160 HydrophobicContact SD-CD2 3.97Å; M145-Y160 HydrophobicContact SD-CG 4.26Å; R146-Y160 HydrophobicContact CB-CE1 4.44Å; R146-Y160 HydrophobicContact CG-CE1 3.79Å; R146-Y160 PolarHBondContact NE-OH 3.17Å; Q156-Y160 HydrophobicContact CG-CE1 4.05Å; Q156-Y160 HydrophobicContact CG-CE2 4.48Å; Q156-Y160 WeakPolarHBondContact CG-OH 3.26Å; E157-Y160 HydrophobicContact CB-CD2 4.46Å; E157-Y160 HydrophobicContact CB-CE2 4.45Å; E157-Y160 HydrophobicContact CG-CE2 4.26Å; Y160-A162 PolarHBondContact O-N 2.9Å; Y160-A162 VanDerWaalsContact O-N 3.17Å
161K78.1Confident86.2Confident79 Ų7935.3 Ų35.334%0.34318%0.178SC..THydrogen-bonded Turntrans48.241.1-177.3-60.4-178.3175.2-176.60111.9D51 L163 E164 K165 E267D51-K161 IonicContact OD2-NZ 3.9Å; D51-K161 PolarHBondContact OD2-NZ 2.73Å; K161-L163 PolarHBondContact O-N 3.01Å; K161-L163 VanDerWaalsContact O-N 3.16Å; K161-E164 PolarHBondContact O-N 3.15Å; K161-E164 VanDerWaalsContact O-N 3.14Å; K161-K165 PolarHBondContact O-N 2.97Å; K161-K165 VanDerWaalsContact O-N 3.15Å; K161-E267 WeakPolarHBondContact CA-OE1 3.2Å; K161-E267 PolarHBondContact N-OE1 2.96Å; K161-E267 VanDerWaalsContact N-OE1 3.16Å
162A84Confident86.2Confident0 Ų039.5 Ų39.50%020%0.198CC..Hα-helixtrans-58.4-34.3-170.600000111.8Y160 K165 Y166 A263 V264 E267Y160-A162 PolarHBondContact O-N 2.9Å; Y160-A162 VanDerWaalsContact O-N 3.17Å; A162-K165 PolarHBondContact O-N 3.4Å; A162-Y166 HydrophobicContact CB-CD2 4.07Å; A162-Y166 HydrophobicContact CB-CE2 4.33Å; A162-Y166 WeakPolarHBondContact O-CB 3.33Å; A162-Y166 WeakPolarHBondContact O-CD2 3.42Å; A162-Y166 PolarHBondContact O-N 3.22Å; A162-A263 HydrophobicContact CB-CB 3.6Å; A162-V264 HydrophobicContact CB-CG2 3.85Å; A162-E267 PolarHBondContact N-OE1 3.18Å; A162-E267 PolarHBondContact N-OE2 3.34Å
163L85.9Confident86.3Confident7 Ų739.1 Ų39.14%0.03719%0.191CC..Hα-helixtrans-68.4-37.5-179.5-171.969.9000113.1K161 G167 F240 V264 E267 V268 I275 L277K161-L163 PolarHBondContact O-N 3.01Å; K161-L163 VanDerWaalsContact O-N 3.16Å; L163-G167 CarbonylContact O-C 3.59Å; L163-G167 WeakPolarHBondContact O-CA 3.44Å; L163-G167 PolarHBondContact O-N 3.47Å; L163-F240 HydrophobicContact CD1-CB 3.95Å; L163-F240 HydrophobicContact CD1-CD1 3.86Å; L163-F240 HydrophobicContact CD1-CE1 4.49Å; L163-F240 HydrophobicContact CD1-CG 3.9Å; L163-F240 HydrophobicContact CD2-CB 4.41Å; L163-F240 HydrophobicContact CD2-CD1 3.81Å; L163-F240 HydrophobicContact CD2-CD2 3.63Å; L163-F240 HydrophobicContact CD2-CE1 3.83Å; L163-F240 HydrophobicContact CD2-CE2 3.65Å; L163-F240 HydrophobicContact CD2-CG 3.67Å; L163-F240 HydrophobicContact CD2-CZ 3.73Å; L163-F240 HydrophobicContact CG-CB 4.36Å; L163-F240 HydrophobicContact CG-CD1 3.45Å; L163-F240 VanDerWaalsContact CG-CD1 3.45Å; L163-F240 HydrophobicContact CG-CD2 4.22Å; L163-F240 HydrophobicContact CG-CE1 3.6Å; L163-F240 HydrophobicContact CG-CE2 4.35Å; L163-F240 HydrophobicContact CG-CG 3.75Å; L163-F240 HydrophobicContact CG-CZ 4.04Å; L163-V264 HydrophobicContact CD1-CG1 3.74Å; L163-E267 HydrophobicContact CB-CB 4.42Å; L163-E267 WeakPolarHBondContact CB-OE2 3.39Å; L163-E267 PolarHBondContact N-OE2 2.93Å; L163-V268 HydrophobicContact CD1-CG2 4.1Å; L163-I275 HydrophobicContact CD2-CD1 3.56Å; L163-I275 HydrophobicContact CD2-CG2 4.24Å; L163-L277 HydrophobicContact CD1-CD1 4.3Å
164E85Confident86.3Confident132 Ų13239.2 Ų39.262%0.61719%0.191SC*.Hα-helixtrans-74.4-30.6175.9-68.3176.317800111.7K161K161-E164 PolarHBondContact O-N 3.15Å; K161-E164 VanDerWaalsContact O-N 3.14Å
165K83.5Confident86.1Confident108 Ų10840.7 Ų40.747%0.4720%0.196SC..Hα-helixtrans-76.7-39.2179-173177.7179.4-172.20112.9K161 A162K161-K165 PolarHBondContact O-N 2.97Å; K161-K165 VanDerWaalsContact O-N 3.15Å; A162-K165 PolarHBondContact O-N 3.4Å
166Y90.3Very high86Confident6 Ų643.8 Ų43.82%0.02421%0.213CC..Hα-helixtrans-110.57.3-173.9-57.8-60.2000113.1E158 A162 D243 S246 L247 R260 V264E158-Y166 WeakPolarHBondContact O-CE2 3.41Å; E158-Y166 PolarHBondContact O-OH 3.01Å; A162-Y166 HydrophobicContact CB-CD2 4.07Å; A162-Y166 HydrophobicContact CB-CE2 4.33Å; A162-Y166 WeakPolarHBondContact O-CB 3.33Å; A162-Y166 WeakPolarHBondContact O-CD2 3.42Å; A162-Y166 PolarHBondContact O-N 3.22Å; Y166-D243 PolarHBondContact O-N 2.98Å; Y166-S246 WeakPolarHBondContact CD1-O 3.33Å; Y166-S246 WeakPolarHBondContact CE1-O 3.17Å; Y166-L247 HydrophobicContact CD1-CD2 3.84Å; Y166-L247 HydrophobicContact CD1-CG 4.23Å; Y166-L247 HydrophobicContact CD2-CD2 3.81Å; Y166-L247 HydrophobicContact CE1-CD2 4.46Å; Y166-L247 HydrophobicContact CE2-CD2 4.46Å; Y166-L247 HydrophobicContact CG-CD2 3.48Å; Y166-L247 VanDerWaalsContact CG-CD2 3.48Å; Y166-L247 HydrophobicContact CG-CG 4.13Å; Y166-R260 HydrophobicContact CD2-CB 4.47Å; Y166-R260 HydrophobicContact CE2-CB 3.96Å; Y166-R260 HydrophobicContact CE2-CG 3.99Å; Y166-R260 WeakPolarHBondContact OH-CD 3.22Å; Y166-R260 PolarHBondContact OH-NE 3.44Å; Y166-V264 HydrophobicContact CD2-CG2 3.97Å; Y166-V264 HydrophobicContact CG-CG2 4.46Å
167G91.9Very high85.4Confident8 Ų844 Ų448%0.08222%0.22CC..EExtended strand (participates in β ladder)trans-151.1164.7-178.700000112.5L163 S241L163-G167 CarbonylContact O-C 3.59Å; L163-G167 WeakPolarHBondContact O-CA 3.44Å; L163-G167 PolarHBondContact O-N 3.47Å; G167-S241 CarbonylContact C-O 3.52Å; G167-S241 WeakPolarHBondContact CA-O 3.35Å
168V92Very high84.8Confident55 Ų5551.1 Ų51.133%0.33325%0.25SS..EExtended strand (participates in β ladder)trans-121.6123.2-174.7179.30000108.7L170 Q173 F240 S241V168-L170 HydrophobicContact CG1-CD2 4.32Å; V168-L170 PolarHBondContact O-N 3.43Å; V168-Q173 HydrophobicContact CG1-CG 4.01Å; V168-F240 CarbonylContact O-C 3.55Å; V168-F240 WeakPolarHBondContact O-CA 3.3Å; V168-S241 PolarHBondContact N-O 2.87Å; V168-S241 PolarHBondContact O-N 3.48Å
169D93.5Very high84.8Confident38 Ų3850 Ų5020%0.20325%0.245CC..EExtended strand (participates in β ladder)trans-75.3103.7173.6-172.1-34.3000109.7V171 Q172 Q173 T238 F240D169-V171 VanDerWaalsContact C-N 3.33Å; D169-V171 WeakPolarHBondContact OD1-CA 3.28Å; D169-V171 WeakPolarHBondContact OD1-CB 3.42Å; D169-V171 PolarHBondContact OD1-N 3Å; D169-Q172 HydrophobicContact CB-CB 3.9Å; D169-Q172 HydrophobicContact CB-CG 4.43Å; D169-Q172 PolarHBondContact O-N 3.2Å; D169-Q172 PolarHBondContact OD1-N 3.41Å; D169-Q173 PolarHBondContact O-N 3.22Å; D169-T238 PolarHBondContact OD1-OG1 2.9Å; D169-T238 PolarHBondContact OD2-OG1 3.06Å; D169-F240 HydrophobicContact CB-CD1 4.26Å; D169-F240 HydrophobicContact CB-CD2 4.41Å; D169-F240 HydrophobicContact CB-CE1 3.74Å; D169-F240 HydrophobicContact CB-CE2 3.91Å; D169-F240 HydrophobicContact CB-CZ 3.57Å; D169-F240 WeakPolarHBondContact OD2-CE2 3.34Å
170L94.3Very high85.1Confident7 Ų752.5 Ų52.54%0.03726%0.258CS..Hα-helixtrans-70-31.3-179.2-59.6-177.3000111.8V168 Q172 Q173 V174 V218 E219 A222 V239V168-L170 HydrophobicContact CG1-CD2 4.32Å; V168-L170 PolarHBondContact O-N 3.43Å; L170-Q172 VanDerWaalsContact C-N 3.33Å; L170-Q173 PolarHBondContact O-N 3.17Å; L170-V174 VanDerWaalsContact O-CG2 3.32Å; L170-V174 WeakPolarHBondContact O-CG2 3.29Å; L170-V174 PolarHBondContact O-N 3.01Å; L170-V218 HydrophobicContact CD1-CG1 3.77Å; L170-E219 HydrophobicContact CD1-CG 4.49Å; L170-A222 HydrophobicContact CB-CB 3.97Å; L170-V239 HydrophobicContact CB-CB 4.38Å; L170-V239 HydrophobicContact CD1-CG1 3.97Å; L170-V239 PolarHBondContact N-O 3.19Å
171V92Very high85.3Confident9 Ų954.1 Ų54.16%0.05527%0.27CS..Hα-helixtrans-68.4-38.1176.9171.40000110.1D169 K175 A222 I225 V226 V239D169-V171 VanDerWaalsContact C-N 3.33Å; D169-V171 WeakPolarHBondContact OD1-CA 3.28Å; D169-V171 WeakPolarHBondContact OD1-CB 3.42Å; D169-V171 PolarHBondContact OD1-N 3Å; V171-K175 WeakPolarHBondContact O-CG 3.45Å; V171-K175 PolarHBondContact O-N 3.02Å; V171-K175 VanDerWaalsContact O-N 3.09Å; V171-A222 HydrophobicContact CG2-CB 3.95Å; V171-I225 HydrophobicContact CG2-CG2 4.3Å; V171-V226 HydrophobicContact CG1-CG2 3.69Å; V171-V239 HydrophobicContact CG2-CB 4.28Å; V171-V239 HydrophobicContact CG2-CG2 4.16Å
172Q89Confident85.8Confident89 Ų8952 Ų5242%0.41626%0.263SS..Hα-helixtrans-66.8-42.5170.5-96.1-66.710.200112.4D169 L170 V174 K175 N176D169-Q172 HydrophobicContact CB-CB 3.9Å; D169-Q172 HydrophobicContact CB-CG 4.43Å; D169-Q172 PolarHBondContact O-N 3.2Å; D169-Q172 PolarHBondContact OD1-N 3.41Å; L170-Q172 VanDerWaalsContact C-N 3.33Å; Q172-V174 VanDerWaalsContact C-N 3.28Å; Q172-V174 PolarHBondContact O-N 2.77Å; Q172-K175 PolarHBondContact O-N 3.22Å; Q172-K175 VanDerWaalsContact O-N 3.14Å; Q172-N176 WeakPolarHBondContact O-CB 3.24Å; Q172-N176 PolarHBondContact O-N 2.8Å; Q172-N176 PolarHBondContact O-ND2 2.98Å; Q172-N176 VanDerWaalsContact O-ND2 3.11Å
173Q88.4Confident85.9Confident62 Ų6254.2 Ų54.229%0.2927%0.274SS..Hα-helixtrans-59.6-39.3176-76.4-169.7-25.500112.8V168 D169 L170 N176 G177 K178 Q179V168-Q173 HydrophobicContact CG1-CG 4.01Å; D169-Q173 PolarHBondContact O-N 3.22Å; L170-Q173 PolarHBondContact O-N 3.17Å; Q173-N176 CarbonylContact O-C 3.42Å; Q173-N176 PolarHBondContact O-N 2.86Å; Q173-G177 PolarHBondContact O-N 3.02Å; Q173-K178 PolarHBondContact O-N 2.93Å; Q173-Q179 HydrophobicContact CB-CG 3.98Å
174V87.2Confident85.8Confident23 Ų2355.8 Ų55.814%0.13929%0.291CS..Hα-helixtrans-62.2-47.1172.8170.70000111L170 Q172 N176 G177 Q179 A222 Q223 V226L170-V174 VanDerWaalsContact O-CG2 3.32Å; L170-V174 WeakPolarHBondContact O-CG2 3.29Å; L170-V174 PolarHBondContact O-N 3.01Å; Q172-V174 VanDerWaalsContact C-N 3.28Å; Q172-V174 PolarHBondContact O-N 2.77Å; V174-N176 PolarHBondContact O-N 2.96Å; V174-G177 PolarHBondContact O-N 3.21Å; V174-Q179 HydrophobicContact CB-CG 4.48Å; V174-Q179 HydrophobicContact CG2-CB 4.2Å; V174-Q179 HydrophobicContact CG2-CG 3.78Å; V174-A222 HydrophobicContact CG2-CB 3.96Å; V174-Q223 HydrophobicContact CG1-CB 4.49Å; V174-Q223 HydrophobicContact CG1-CG 3.99Å; V174-Q223 HydrophobicContact CG2-CG 3.73Å; V174-V226 HydrophobicContact CB-CG2 4.04Å; V174-V226 HydrophobicContact CG1-CB 3.99Å; V174-V226 HydrophobicContact CG1-CG1 4.24Å; V174-V226 HydrophobicContact CG1-CG2 3.72Å
175K83.2Confident86.2Confident107 Ų10750.7 Ų50.747%0.46527%0.267SS..Hα-helixtrans-61.5-24.2177.4-73.7175.1-178.7178.80113.3V171 Q172 V226V171-K175 WeakPolarHBondContact O-CG 3.45Å; V171-K175 PolarHBondContact O-N 3.02Å; V171-K175 VanDerWaalsContact O-N 3.09Å; Q172-K175 PolarHBondContact O-N 3.22Å; Q172-K175 VanDerWaalsContact O-N 3.14Å; K175-V226 HydrophobicContact CG-CG1 4.04Å; K175-V226 HydrophobicContact CG-CG2 3.96Å
176N81Confident86.6Confident86 Ų8650 Ų5046%0.4627%0.268SS..THydrogen-bonded Turntrans-90.93.5175.9-63.5-31.3000113.2Q172 Q173 V174 K178 H486Q172-N176 WeakPolarHBondContact O-CB 3.24Å; Q172-N176 PolarHBondContact O-N 2.8Å; Q172-N176 PolarHBondContact O-ND2 2.98Å; Q172-N176 VanDerWaalsContact O-ND2 3.11Å; Q173-N176 CarbonylContact O-C 3.42Å; Q173-N176 PolarHBondContact O-N 2.86Å; V174-N176 PolarHBondContact O-N 2.96Å; N176-K178 HydrophobicContact CB-CG 4.3Å; N176-K178 PolarHBondContact O-N 3Å; N176-K178 VanDerWaalsContact O-N 3.17Å; N176-H486 VanDerWaalsContact C-NE2 3.3Å; N176-H486 PolarHBondContact O-NE2 3.29Å
177G73.9Confident86.8Confident21 Ų2156.6 Ų56.622%0.21630%0.299CS..THydrogen-bonded Turntrans72.83.7177.400000116.3Q173 V174 Q179 R358 H486Q173-G177 PolarHBondContact O-N 3.02Å; V174-G177 PolarHBondContact O-N 3.21Å; G177-Q179 PolarHBondContact O-N 2.88Å; G177-Q179 VanDerWaalsContact O-N 3.09Å; G177-R358 PolarHBondContact O-NH2 2.83Å; G177-H486 WeakPolarHBondContact CA-CE1 3.38Å; G177-H486 VanDerWaalsContact CA-NE2 3.33Å; G177-H486 WeakPolarHBondContact CA-NE2 3.48Å; G177-H486 PolarHBondContact N-CE1 3.02Å; G177-H486 VanDerWaalsContact N-CE1 3.27Å; G177-H486 PolarHBondContact N-NE2 3.21Å
178K71.5Confident87.1Confident157 Ų15757.6 Ų57.668%0.68330%0.302SS*.  trans-79.59.1-170.8-63.2-172.3178.4-177.30114.7Q173 N176Q173-K178 PolarHBondContact O-N 2.93Å; N176-K178 HydrophobicContact CB-CG 4.3Å; N176-K178 PolarHBondContact O-N 3Å; N176-K178 VanDerWaalsContact O-N 3.17Å
179Q78.7Confident87.3Confident16 Ų1655.2 Ų55.28%0.07529%0.287CS..SBendtrans-108.1139.8-165.6-79.4-76.8-1200111.6Q173 V174 G177 E219 R358Q173-Q179 HydrophobicContact CB-CG 3.98Å; V174-Q179 HydrophobicContact CB-CG 4.48Å; V174-Q179 HydrophobicContact CG2-CB 4.2Å; V174-Q179 HydrophobicContact CG2-CG 3.78Å; G177-Q179 PolarHBondContact O-N 2.88Å; G177-Q179 VanDerWaalsContact O-N 3.09Å; Q179-E219 PolarHBondContact NE2-OE1 3.02Å; Q179-E219 VanDerWaalsContact OE1-CG 3.27Å; Q179-E219 PolarHBondContact OE1-OE1 3.09Å; Q179-E219 PolarHBondContact OE1-OE2 2.89Å; Q179-R358 PolarHBondContact O-NH1 2.76Å; Q179-R358 PolarHBondContact O-NH2 2.91Å
180D84.4Confident87.4Confident74 Ų7460.3 Ų60.340%0.39630%0.303SS..  trans-68.9149-179.1-77.6-25.3000111.6I182 Q223 L355 R358D180-I182 PolarHBondContact O-N 2.75Å; D180-Q223 PolarHBondContact O-NE2 3.43Å; D180-L355 HydrophobicContact CB-CD2 3.83Å; D180-R358 WeakPolarHBondContact OD1-CD 3.47Å; D180-R358 IonicContact OD1-CZ 2.79Å; D180-R358 IonicContact OD1-NE 3.83Å; D180-R358 IonicContact OD1-NH1 2.66Å; D180-R358 PolarHBondContact OD1-NH1 3.3Å
181P82.9Confident87.6Confident52 Ų5262.4 Ų62.434%0.33832%0.315SS..  trans-65.1134.7173.127.2-33.6000110.2I183 G354 L355P181-I183 HydrophobicContact CB-CD1 4.34Å; P181-I183 HydrophobicContact CG-CD1 4.36Å; P181-G354 WeakPolarHBondContact CG-O 3.46Å; P181-L355 HydrophobicContact CG-CD2 4.28Å
182I88.5Confident87.9Confident36 Ų3662 Ų6219%0.18531%0.312CS..  trans-101.3114.8-177.7-63.8161000108.5D180 R185 I189 A216 E219 Q223D180-I182 PolarHBondContact O-N 2.75Å; I182-R185 HydrophobicContact CG2-CB 4.45Å; I182-I189 HydrophobicContact CG2-CD1 4.21Å; I182-A216 WeakPolarHBondContact CD1-O 3.4Å; I182-E219 VanDerWaalsContact CD1-C 3.45Å; I182-E219 HydrophobicContact CD1-CB 3.87Å; I182-Q223 HydrophobicContact CD1-CG 4.47Å
183I86.5Confident88.3Confident46 Ų4658.5 Ų58.524%0.23630%0.296CS..  trans-117.7131.2-174-60.9135.6000108.8P181 I351P181-I183 HydrophobicContact CB-CD1 4.34Å; P181-I183 HydrophobicContact CG-CD1 4.36Å; I183-I351 HydrophobicContact CB-CG1 3.92Å; I183-I351 WeakPolarHBondContact CD1-O 3.29Å; I183-I351 HydrophobicContact CG2-CG1 4.13Å; I183-I351 WeakPolarHBondContact O-CG1 3.4Å
184G84.3Confident88.6Confident39 Ų3962.5 Ų62.540%0.40231%0.309SS..SBendtrans64.7-174.8-161.200000110.6
185R92.9Very high89.1Confident26 Ų2661.7 Ų61.710%0.09830%0.303CS..  trans78.77.5-179.6-46.2-56.4-175.8-174.2-1.7117.9I182 E187 E188 I189 V212 I217 K341I182-R185 HydrophobicContact CG2-CB 4.45Å; R185-E187 VanDerWaalsContact C-N 3.25Å; R185-E187 PolarHBondContact O-N 3.34Å; R185-E188 VanDerWaalsContact CA-OE2 3.26Å; R185-E188 WeakPolarHBondContact CA-OE2 3.31Å; R185-E188 WeakPolarHBondContact CD-OE1 3.35Å; R185-E188 IonicContact CZ-OE1 3.23Å; R185-E188 IonicContact NH1-OE1 3.31Å; R185-E188 PolarHBondContact NH1-OE1 3.37Å; R185-E188 PolarHBondContact O-N 3.39Å; R185-I189 HydrophobicContact CB-CD1 4.33Å; R185-I189 WeakPolarHBondContact O-CB 3.38Å; R185-I189 WeakPolarHBondContact O-CD1 3.34Å; R185-I189 VanDerWaalsContact O-CG1 3.23Å; R185-I189 WeakPolarHBondContact O-CG1 3.48Å; R185-I189 PolarHBondContact O-N 3.04Å; R185-V212 PolarHBondContact NH2-O 2.83Å; R185-I217 HydrophobicContact CB-CG1 3.96Å; R185-I217 HydrophobicContact CG-CG1 4.04Å; R185-K341 PolarHBondContact NH1-O 2.86Å; R185-K341 PolarHBondContact NH2-O 3.18Å
186D92.6Very high89.6Confident93 Ų9356.9 Ų56.950%0.49728%0.283SS..Hα-helixtrans-60.1-34.1178.3-78.7-46.8000113.8R190 R224D186-R190 VanDerWaalsContact O-CB 3.22Å; D186-R190 WeakPolarHBondContact O-CB 3.31Å; D186-R190 PolarHBondContact O-N 3.17Å; D186-R224 PolarHBondContact O-NH2 3.23Å; D186-R224 IonicContact OD1-CZ 3.99Å; D186-R224 IonicContact OD1-NH2 4Å; D186-R224 PolarHBondContact OD1-NH2 2.88Å
187E94.7Very high90.2Very high144 Ų14455 Ų5567%0.67328%0.276SS*.Hα-helixtrans-70.1-48.1178.2-65.2-164.6158.300111.1R185 R190 D191R185-E187 VanDerWaalsContact C-N 3.25Å; R185-E187 PolarHBondContact O-N 3.34Å; E187-R190 PolarHBondContact O-N 2.97Å; E187-D191 WeakPolarHBondContact O-CB 3.49Å; E187-D191 PolarHBondContact O-N 3.43Å
188E96.9Very high91Very high30 Ų3058.5 Ų58.514%0.1428%0.283CS..Hα-helixtrans-62.5-44.6178.2-63.692.7139.700111.2R185 R190 D191 V192 I217 V338R185-E188 VanDerWaalsContact CA-OE2 3.26Å; R185-E188 WeakPolarHBondContact CA-OE2 3.31Å; R185-E188 WeakPolarHBondContact CD-OE1 3.35Å; R185-E188 IonicContact CZ-OE1 3.23Å; R185-E188 IonicContact NH1-OE1 3.31Å; R185-E188 PolarHBondContact NH1-OE1 3.37Å; R185-E188 PolarHBondContact O-N 3.39Å; E188-R190 VanDerWaalsContact C-N 3.34Å; E188-R190 PolarHBondContact O-N 3.29Å; E188-D191 WeakPolarHBondContact O-CB 3.36Å; E188-D191 PolarHBondContact O-N 3.39Å; E188-V192 VanDerWaalsContact O-CG2 3.29Å; E188-V192 WeakPolarHBondContact O-CG2 3.42Å; E188-V192 PolarHBondContact O-N 3.16Å; E188-I217 HydrophobicContact CB-CD1 3.75Å; E188-I217 HydrophobicContact CB-CG1 4.14Å; E188-I217 HydrophobicContact CB-CG2 4.3Å; E188-I217 HydrophobicContact CG-CD1 4.1Å; E188-V338 HydrophobicContact CB-CG1 4.35Å; E188-V338 HydrophobicContact CG-CG1 4.49Å
189I97.2Very high91.7Very high5 Ų560.8 Ų60.83%0.02629%0.293CS..Hα-helixtrans-61.6-43.5175.5-64.2164.3000110.4I182 R185 D191 V192 I193 I217I182-I189 HydrophobicContact CG2-CD1 4.21Å; R185-I189 HydrophobicContact CB-CD1 4.33Å; R185-I189 WeakPolarHBondContact O-CB 3.38Å; R185-I189 WeakPolarHBondContact O-CD1 3.34Å; R185-I189 VanDerWaalsContact O-CG1 3.23Å; R185-I189 WeakPolarHBondContact O-CG1 3.48Å; R185-I189 PolarHBondContact O-N 3.04Å; I189-D191 VanDerWaalsContact C-N 3.3Å; I189-D191 PolarHBondContact O-N 3.08Å; I189-V192 PolarHBondContact O-N 3.36Å; I189-I193 HydrophobicContact CG2-CD1 3.93Å; I189-I193 WeakPolarHBondContact O-CG1 3.33Å; I189-I193 PolarHBondContact O-N 2.86Å; I189-I217 HydrophobicContact CG1-CG2 3.96Å
190R96.5Very high92.2Very high145 Ų14564.6 Ų64.655%0.54732%0.317SS..Hα-helixtrans-63.1-38.3176.8-172.1-176-66.7140.20.5111.5D186 E187 E188 I193 R194D186-R190 VanDerWaalsContact O-CB 3.22Å; D186-R190 WeakPolarHBondContact O-CB 3.31Å; D186-R190 PolarHBondContact O-N 3.17Å; E187-R190 PolarHBondContact O-N 2.97Å; E188-R190 VanDerWaalsContact C-N 3.34Å; E188-R190 PolarHBondContact O-N 3.29Å; R190-I193 PolarHBondContact O-N 2.55Å; R190-R194 VanDerWaalsContact O-CB 3.3Å; R190-R194 WeakPolarHBondContact O-CB 3.39Å; R190-R194 PolarHBondContact O-N 2.69Å
191D97.6Very high92.4Very high51 Ų5164.1 Ų64.127%0.27331%0.312SS..Hα-helixtrans-66.3-42.6176.3-90.113.1000111.8E187 E188 I189 R194 I195 V338E187-D191 WeakPolarHBondContact O-CB 3.49Å; E187-D191 PolarHBondContact O-N 3.43Å; E188-D191 WeakPolarHBondContact O-CB 3.36Å; E188-D191 PolarHBondContact O-N 3.39Å; I189-D191 VanDerWaalsContact C-N 3.3Å; I189-D191 PolarHBondContact O-N 3.08Å; D191-R194 PolarHBondContact O-N 3.04Å; D191-R194 IonicContact OD1-CZ 3.89Å; D191-R194 IonicContact OD1-NE 2.77Å; D191-R194 IonicContact OD1-NH1 3.03Å; D191-R194 PolarHBondContact OD1-NH1 2.88Å; D191-R194 IonicContact OD1-NH2 2.69Å; D191-R194 PolarHBondContact OD1-NH2 3.29Å; D191-R194 IonicContact OD2-CZ 2.66Å; D191-R194 IonicContact OD2-NH2 3.12Å; D191-R194 PolarHBondContact OD2-NH2 2.91Å; D191-I195 WeakPolarHBondContact O-CB 3.44Å; D191-I195 WeakPolarHBondContact O-CD1 3.39Å; D191-I195 WeakPolarHBondContact O-CG1 3.09Å; D191-I195 PolarHBondContact O-N 3.29Å; D191-V338 HydrophobicContact CB-CG1 4.42Å
192V98Very high92.8Very high1 Ų162.7 Ų62.71%0.00630%0.301CS..Hα-helixtrans-58.3-50.8172.5169.20000110.6E188 I189 R194 I195 L196 P204 L206 I217 L221 I313 V338E188-V192 VanDerWaalsContact O-CG2 3.29Å; E188-V192 WeakPolarHBondContact O-CG2 3.42Å; E188-V192 PolarHBondContact O-N 3.16Å; I189-V192 PolarHBondContact O-N 3.36Å; V192-R194 VanDerWaalsContact C-N 3.33Å; V192-R194 PolarHBondContact O-N 3.34Å; V192-I195 PolarHBondContact O-N 3.28Å; V192-L196 HydrophobicContact CG1-CD1 3.82Å; V192-L196 HydrophobicContact CG1-CG 4.42Å; V192-L196 WeakPolarHBondContact O-CG 3.48Å; V192-L196 PolarHBondContact O-N 3.24Å; V192-P204 HydrophobicContact CG1-CG 4.01Å; V192-P204 HydrophobicContact CG2-CB 4.37Å; V192-L206 HydrophobicContact CG2-CD2 3.73Å; V192-I217 HydrophobicContact CG2-CG2 4Å; V192-L221 HydrophobicContact CG1-CD2 3.98Å; V192-I313 HydrophobicContact CG1-CD1 4.25Å; V192-V338 HydrophobicContact CG2-CG2 4.35Å
193I97.3Very high93.2Very high14 Ų1461 Ų617%0.07229%0.293CS..Hα-helixtrans-57.1-45.9176.7-72166.8000111.3I189 R190 I195 L196 S197 L221 V230 P231 L234I189-I193 HydrophobicContact CG2-CD1 3.93Å; I189-I193 WeakPolarHBondContact O-CG1 3.33Å; I189-I193 PolarHBondContact O-N 2.86Å; R190-I193 PolarHBondContact O-N 2.55Å; I193-I195 VanDerWaalsContact C-N 3.32Å; I193-I195 PolarHBondContact O-N 3.25Å; I193-L196 PolarHBondContact O-N 3.02Å; I193-S197 WeakPolarHBondContact O-CB 3.4Å; I193-S197 PolarHBondContact O-N 2.89Å; I193-S197 VanDerWaalsContact O-N 3.12Å; I193-S197 PolarHBondContact O-OG 2.93Å; I193-L221 HydrophobicContact CD1-CD1 4.21Å; I193-L221 HydrophobicContact CG1-CD1 3.54Å; I193-V230 HydrophobicContact CD1-CG1 3.97Å; I193-V230 HydrophobicContact CG1-CG1 4.42Å; I193-P231 VanDerWaalsContact CG2-CD 3.48Å; I193-P231 HydrophobicContact CG2-CG 3.88Å; I193-L234 HydrophobicContact CB-CD1 4.36Å; I193-L234 HydrophobicContact CG1-CD1 4.33Å; I193-L234 HydrophobicContact CG2-CD1 3.92Å
194R95.5Very high93.7Very high147 Ų14758.9 Ų58.956%0.55528%0.281SS*.Hα-helixtrans-61.2-43.2179-176.8-179.368.7-144-5110.7R190 D191 V192 S197 R198R190-R194 VanDerWaalsContact O-CB 3.3Å; R190-R194 WeakPolarHBondContact O-CB 3.39Å; R190-R194 PolarHBondContact O-N 2.69Å; D191-R194 PolarHBondContact O-N 3.04Å; D191-R194 IonicContact OD1-CZ 3.89Å; D191-R194 IonicContact OD1-NE 2.77Å; D191-R194 IonicContact OD1-NH1 3.03Å; D191-R194 PolarHBondContact OD1-NH1 2.88Å; D191-R194 IonicContact OD1-NH2 2.69Å; D191-R194 PolarHBondContact OD1-NH2 3.29Å; D191-R194 IonicContact OD2-CZ 2.66Å; D191-R194 IonicContact OD2-NH2 3.12Å; D191-R194 PolarHBondContact OD2-NH2 2.91Å; V192-R194 VanDerWaalsContact C-N 3.33Å; V192-R194 PolarHBondContact O-N 3.34Å; R194-S197 PolarHBondContact O-N 3.2Å; R194-R198 WeakPolarHBondContact O-CG 3.3Å
195I96.5Very high94.3Very high5 Ų557 Ų573%0.02626%0.262CS..Hα-helixtrans-66.2-49.5179.2-70164.6000110.9D191 V192 I193 S197 R198 N202 P204 Q336 V338D191-I195 WeakPolarHBondContact O-CB 3.44Å; D191-I195 WeakPolarHBondContact O-CD1 3.39Å; D191-I195 WeakPolarHBondContact O-CG1 3.09Å; D191-I195 PolarHBondContact O-N 3.29Å; V192-I195 PolarHBondContact O-N 3.28Å; I193-I195 VanDerWaalsContact C-N 3.32Å; I193-I195 PolarHBondContact O-N 3.25Å; I195-S197 PolarHBondContact O-N 2.98Å; I195-S197 VanDerWaalsContact O-N 3.15Å; I195-R198 VanDerWaalsContact O-CB 3.29Å; I195-R198 WeakPolarHBondContact O-CB 3.5Å; I195-R198 WeakPolarHBondContact O-CG 3.42Å; I195-R198 PolarHBondContact O-N 2.88Å; I195-N202 VanDerWaalsContact O-CA 3.29Å; I195-N202 WeakPolarHBondContact O-CA 3.32Å; I195-P204 HydrophobicContact CB-CB 4.26Å; I195-P204 HydrophobicContact CD1-CB 4.13Å; I195-P204 HydrophobicContact CG2-CB 3.88Å; I195-P204 HydrophobicContact CG2-CG 4.26Å; I195-Q336 HydrophobicContact CD1-CB 4.03Å; I195-Q336 HydrophobicContact CD1-CG 3.55Å; I195-Q336 HydrophobicContact CG1-CB 4.23Å; I195-Q336 HydrophobicContact CG1-CG 3.79Å; I195-Q336 HydrophobicContact CG2-CB 3.86Å; I195-Q336 HydrophobicContact CG2-CG 4.37Å; I195-V338 HydrophobicContact CD1-CG2 3.32Å
196L95.4Very high94.6Very high7 Ų755.8 Ų55.84%0.03726%0.258CS..Hα-helixtrans-57.8-29.5179.1-71.5169000112.5V192 I193 R198 P204 L221 L234 L276 I313V192-L196 HydrophobicContact CG1-CD1 3.82Å; V192-L196 HydrophobicContact CG1-CG 4.42Å; V192-L196 WeakPolarHBondContact O-CG 3.48Å; V192-L196 PolarHBondContact O-N 3.24Å; I193-L196 PolarHBondContact O-N 3.02Å; L196-R198 VanDerWaalsContact C-N 3.32Å; L196-R198 PolarHBondContact O-N 2.9Å; L196-P204 HydrophobicContact CD2-CG 4.07Å; L196-P204 HydrophobicContact CG-CG 4.09Å; L196-L221 HydrophobicContact CD1-CD1 4.42Å; L196-L221 HydrophobicContact CD1-CD2 3.68Å; L196-L234 HydrophobicContact CB-CD1 4.36Å; L196-L234 HydrophobicContact CB-CD2 4.13Å; L196-L276 HydrophobicContact CD1-CD1 3.96Å; L196-L276 HydrophobicContact CD2-CD2 4.1Å; L196-I313 HydrophobicContact CD1-CD1 4.16Å; L196-I313 HydrophobicContact CD2-CG1 4.28Å
197S92.1Very high94.8Very high45 Ų4551.5 Ų51.532%0.31524%0.235SC..THydrogen-bonded Turntrans-82.5-1.3177.5-56.60000114.6I193 R194 I195 N233I193-S197 WeakPolarHBondContact O-CB 3.4Å; I193-S197 PolarHBondContact O-N 2.89Å; I193-S197 VanDerWaalsContact O-N 3.12Å; I193-S197 PolarHBondContact O-OG 2.93Å; R194-S197 PolarHBondContact O-N 3.2Å; I195-S197 PolarHBondContact O-N 2.98Å; I195-S197 VanDerWaalsContact O-N 3.15Å; S197-N233 PolarHBondContact OG-ND2 2.9Å; S197-N233 VanDerWaalsContact OG-ND2 3.16Å
198R91.5Very high94.8Very high95 Ų9545 Ų4536%0.35821%0.206SC..  trans-76.7154.2177.4-64172.669.5-174.45.4111.5R194 I195 L196 T200 K201 N202R194-R198 WeakPolarHBondContact O-CG 3.3Å; I195-R198 VanDerWaalsContact O-CB 3.29Å; I195-R198 WeakPolarHBondContact O-CB 3.5Å; I195-R198 WeakPolarHBondContact O-CG 3.42Å; I195-R198 PolarHBondContact O-N 2.88Å; L196-R198 VanDerWaalsContact C-N 3.32Å; L196-R198 PolarHBondContact O-N 2.9Å; R198-T200 WeakPolarHBondContact CB-O 3.42Å; R198-T200 PolarHBondContact NE-O 3.4Å; R198-K201 PolarHBondContact NH1-O 2.85Å; R198-N202 HydrophobicContact CB-CB 4.23Å; R198-N202 WeakPolarHBondContact O-CB 3.41Å
199K86.7Confident94.6Very high206 Ų20646.8 Ų46.890%0.89621%0.214SC*.SBendtrans-76.4-28.7171.3-172.3174.9-179.8178.30113.6
200T87.5Confident94.4Very high96 Ų9650.2 Ų50.259%0.58924%0.237SC*.SBendtrans-137.7153.7178.460.80000109.4R198 N202R198-T200 WeakPolarHBondContact CB-O 3.42Å; R198-T200 PolarHBondContact NE-O 3.4Å; T200-N202 VanDerWaalsContact C-N 3.29Å; T200-N202 PolarHBondContact O-N 2.88Å
201K89.6Confident94.3Very high64 Ų6444.8 Ų44.828%0.27823%0.226SC..SBendtrans48.852.6-171.4-69.6-166.4173.9-151.30111.8R198 E332 R333 R334 Q336R198-K201 PolarHBondContact NH1-O 2.85Å; K201-E332 WeakPolarHBondContact CE-O 3.45Å; K201-E332 PolarHBondContact NZ-O 3.19Å; K201-E332 VanDerWaalsContact NZ-O 3.09Å; K201-R333 WeakPolarHBondContact CG-O 3.45Å; K201-R334 WeakPolarHBondContact CA-O 3.49Å; K201-Q336 HydrophobicContact CB-CB 4.42Å
202N91.8Very high94.1Very high22 Ų2242.4 Ų42.412%0.11821%0.213CC..  trans-102.113.5-171.964.8-27.1000113.5I195 R198 T200 H311I195-N202 VanDerWaalsContact O-CA 3.29Å; I195-N202 WeakPolarHBondContact O-CA 3.32Å; R198-N202 HydrophobicContact CB-CB 4.23Å; R198-N202 WeakPolarHBondContact O-CB 3.41Å; T200-N202 VanDerWaalsContact C-N 3.29Å; T200-N202 PolarHBondContact O-N 2.88Å; N202-H311 PolarHBondContact ND2-CE1 3.21Å; N202-H311 PolarHBondContact ND2-ND1 3.45Å
203N95.7Very high93.9Very high1 Ų143.4 Ų43.41%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-109.2107.1174.9-56.8-73.3000107.8H311 L312 R334 F335 Q336N203-H311 WeakPolarHBondContact OD1-CA 3.31Å; N203-L312 VanDerWaalsContact CA-O 3.26Å; N203-L312 WeakPolarHBondContact CA-O 3.36Å; N203-L312 VanDerWaalsContact CB-O 3.27Å; N203-L312 WeakPolarHBondContact CB-O 3.5Å; N203-L312 PolarHBondContact OD1-N 2.88Å; N203-R334 PolarHBondContact N-O 3.42Å; N203-R334 PolarHBondContact ND2-O 3.43Å; N203-R334 VanDerWaalsContact ND2-O 3.09Å; N203-F335 HydrophobicContact CB-CD1 3.4Å; N203-F335 VanDerWaalsContact CB-CD1 3.4Å; N203-F335 HydrophobicContact CB-CE1 3.48Å; N203-F335 VanDerWaalsContact CB-CE1 3.48Å; N203-F335 HydrophobicContact CB-CG 4.21Å; N203-F335 HydrophobicContact CB-CZ 4.29Å; N203-F335 CarbonylContact O-C 3.4Å; N203-F335 WeakPolarHBondContact O-CA 3.4Å; N203-F335 WeakPolarHBondContact O-CD1 3.5Å; N203-Q336 PolarHBondContact O-N 3.32Å
204P97.7Very high93.9Very high0 Ų043.7 Ų43.70%023%0.225CC..EExtended strand (participates in β ladder)trans-73144.8177.726-29000111.3V192 I195 L196 L312 I313 G314 Q336 V338V192-P204 HydrophobicContact CG1-CG 4.01Å; V192-P204 HydrophobicContact CG2-CB 4.37Å; I195-P204 HydrophobicContact CB-CB 4.26Å; I195-P204 HydrophobicContact CD1-CB 4.13Å; I195-P204 HydrophobicContact CG2-CB 3.88Å; I195-P204 HydrophobicContact CG2-CG 4.26Å; L196-P204 HydrophobicContact CD2-CG 4.07Å; L196-P204 HydrophobicContact CG-CG 4.09Å; P204-L312 WeakPolarHBondContact CD-O 3.32Å; P204-I313 HydrophobicContact CG-CB 4.34Å; P204-I313 HydrophobicContact CG-CG1 3.91Å; P204-I313 HydrophobicContact CG-CG2 4.17Å; P204-I313 WeakPolarHBondContact O-CA 3.37Å; P204-G314 PolarHBondContact O-N 2.98Å; P204-Q336 CarbonylContact C-O 3.42Å; P204-Q336 WeakPolarHBondContact CA-O 3.32Å; P204-V338 HydrophobicContact CB-CG2 4.22Å
205V96.9Very high93.8Very high0 Ų039.1 Ų39.10%021%0.213CC..EExtended strand (participates in β ladder)trans-121.2114.5167.3-174.70000108.2I207 G314 T316 Y321 M325 F335 Q336 K337 V338V205-I207 HydrophobicContact CG1-CG1 3.98Å; V205-I207 PolarHBondContact O-N 3.01Å; V205-G314 CarbonylContact C-O 3.49Å; V205-G314 VanDerWaalsContact CA-O 3.28Å; V205-G314 WeakPolarHBondContact CA-O 3.5Å; V205-T316 HydrophobicContact CG1-CG2 3.83Å; V205-Y321 HydrophobicContact CB-CE2 4.4Å; V205-Y321 HydrophobicContact CG1-CD2 4.04Å; V205-Y321 HydrophobicContact CG1-CE2 4.3Å; V205-M325 HydrophobicContact CG1-SD 4.24Å; V205-M325 HydrophobicContact CG2-CE 3.89Å; V205-M325 HydrophobicContact CG2-SD 4.41Å; V205-F335 HydrophobicContact CG2-CB 3.63Å; V205-F335 HydrophobicContact CG2-CD1 3.17Å; V205-F335 HydrophobicContact CG2-CE1 3.98Å; V205-F335 HydrophobicContact CG2-CG 3.58Å; V205-Q336 PolarHBondContact N-O 2.79Å; V205-K337 CarbonylContact O-C 3.49Å; V205-V338 PolarHBondContact O-N 3.29Å
206L98.4Very high93.7Very high0 Ų040.3 Ų40.30%022%0.224CC..EExtended strand (participates in β ladder)trans-74.5112.9172.2-57.4179.8000108.1V192 K214 I217 V218 I313 G314 A315 T316 V338 V340V192-L206 HydrophobicContact CG2-CD2 3.73Å; L206-K214 HydrophobicContact CB-CB 4.37Å; L206-K214 HydrophobicContact CB-CD 4.35Å; L206-K214 HydrophobicContact CB-CG 4.35Å; L206-K214 HydrophobicContact CD1-CB 4.28Å; L206-K214 WeakPolarHBondContact CD1-O 3.4Å; L206-I217 HydrophobicContact CD1-CB 4.11Å; L206-I217 HydrophobicContact CD1-CG2 4.15Å; L206-I217 HydrophobicContact CD2-CD1 4.38Å; L206-I217 HydrophobicContact CD2-CG2 4.05Å; L206-V218 HydrophobicContact CD1-CG2 3.72Å; L206-I313 HydrophobicContact CD1-CG2 4.46Å; L206-I313 HydrophobicContact CG-CG2 4.48Å; L206-G314 PolarHBondContact N-O 2.9Å; L206-A315 HydrophobicContact CB-CB 4.26Å; L206-A315 WeakPolarHBondContact O-CA 3.45Å; L206-T316 PolarHBondContact O-N 2.77Å; L206-T316 VanDerWaalsContact O-N 3.09Å; L206-V338 HydrophobicContact CD2-CB 3.95Å; L206-V338 HydrophobicContact CD2-CG1 3.98Å; L206-V340 HydrophobicContact CB-CG2 4.02Å; L206-V340 HydrophobicContact CD2-CG2 4.12Å
207I96.9Very high93.8Very high4 Ų440 Ų402%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-112.4116.1-179.1-57.4177.5000108.1V205 T316 L318 Y321 K337 V338 L339 V340V205-I207 HydrophobicContact CG1-CG1 3.98Å; V205-I207 PolarHBondContact O-N 3.01Å; I207-T316 WeakPolarHBondContact CA-O 3.48Å; I207-L318 HydrophobicContact CG2-CB 3.93Å; I207-L318 HydrophobicContact CG2-CD1 3.82Å; I207-Y321 HydrophobicContact CD1-CD1 3.72Å; I207-Y321 HydrophobicContact CD1-CD2 3.55Å; I207-Y321 HydrophobicContact CD1-CE1 4.04Å; I207-Y321 HydrophobicContact CD1-CE2 3.86Å; I207-Y321 HydrophobicContact CD1-CG 3.47Å; I207-Y321 VanDerWaalsContact CD1-CG 3.47Å; I207-Y321 HydrophobicContact CG1-CD2 4.11Å; I207-Y321 HydrophobicContact CG1-CG 4.22Å; I207-K337 HydrophobicContact CD1-CB 3.6Å; I207-K337 HydrophobicContact CG1-CB 4.48Å; I207-V338 PolarHBondContact N-O 3.02Å; I207-L339 HydrophobicContact CB-CD2 4.23Å; I207-L339 HydrophobicContact CG2-CD2 4.3Å; I207-L339 WeakPolarHBondContact O-CA 3.45Å; I207-V340 PolarHBondContact O-N 2.95Å
208G94.9Very high94Very high6 Ų637.9 Ų37.96%0.06221%0.207CC..  trans-172.6166.3177.900000110.5K214 T316 V340G208-K214 PolarHBondContact O-NZ 3.29Å; G208-T316 PolarHBondContact N-O 3.43Å; G208-V340 WeakPolarHBondContact CA-O 3.35Å
209E93.8Very high94.2Very high69 Ų6935.2 Ų35.232%0.32220%0.199SC..  trans-63.5162.3179.7-59.9-55.6145.500112V212 K214 F387E209-V212 HydrophobicContact CB-CG1 4.01Å; E209-V212 VanDerWaalsContact O-CG2 3.26Å; E209-V212 WeakPolarHBondContact O-CG2 3.15Å; E209-K214 PolarHBondContact O-NZ 3.03Å; E209-F387 HydrophobicContact CB-CD1 4.1Å; E209-F387 HydrophobicContact CB-CD2 3.49Å; E209-F387 VanDerWaalsContact CB-CD2 3.49Å; E209-F387 HydrophobicContact CB-CE1 4.13Å; E209-F387 HydrophobicContact CB-CE2 3.53Å; E209-F387 HydrophobicContact CB-CG 3.79Å; E209-F387 HydrophobicContact CB-CZ 3.86Å; E209-F387 HydrophobicContact CG-CD1 4.19Å; E209-F387 HydrophobicContact CG-CD2 4.2Å; E209-F387 HydrophobicContact CG-CE1 3.8Å; E209-F387 HydrophobicContact CG-CE2 3.81Å; E209-F387 HydrophobicContact CG-CG 4.38Å; E209-F387 HydrophobicContact CG-CZ 3.59Å
210P92.9Very high94.5Very high77 Ų7725.5 Ų25.550%0.516%0.157SC..THydrogen-bonded Turntrans-58.5144.9172.5-23.635.8000111.7V212 T317P210-V212 VanDerWaalsContact C-N 3.28Å; P210-V212 PolarHBondContact O-N 2.87Å; P210-T317 HydrophobicContact CG-CG2 4.14Å
211G93Very high95Very high30 Ų3021 Ų2131%0.30913%0.129SC..THydrogen-bonded Turntrans80.1-10.5176.900000116.5G213 P389 D390G211-G213 PolarHBondContact O-N 2.85Å; G211-P389 WeakPolarHBondContact O-CD 3.35Å; G211-D390 WeakPolarHBondContact O-CB 3.42Å
212V95Very high95.2Very high2 Ų217.9 Ų17.91%0.01212%0.116CC..SBendtrans-71.1-4.2-175.9-55.20000115.5R185 E209 P210 K214 V340 E342 F387 L388R185-V212 PolarHBondContact NH2-O 2.83Å; E209-V212 HydrophobicContact CB-CG1 4.01Å; E209-V212 VanDerWaalsContact O-CG2 3.26Å; E209-V212 WeakPolarHBondContact O-CG2 3.15Å; P210-V212 VanDerWaalsContact C-N 3.28Å; P210-V212 PolarHBondContact O-N 2.87Å; V212-K214 HydrophobicContact CG2-CG 4.04Å; V212-V340 HydrophobicContact CB-CG1 4.5Å; V212-V340 HydrophobicContact CG2-CB 4.21Å; V212-V340 HydrophobicContact CG2-CG1 3.65Å; V212-E342 HydrophobicContact CG1-CB 4.32Å; V212-F387 HydrophobicContact CG1-CB 3.91Å; V212-F387 HydrophobicContact CG1-CG 4.47Å; V212-L388 WeakPolarHBondContact CA-O 3.34Å
213G94Very high95.3Very high22 Ų2218.1 Ų18.123%0.22712%0.116CC..SBendtrans9337.7-179.400000114.9G211 A216 I217G211-G213 PolarHBondContact O-N 2.85Å; G213-A216 PolarHBondContact O-N 3.18Å; G213-I217 PolarHBondContact O-N 2.76Å
214K96.4Very high95.1Very high20 Ų2019.5 Ų19.59%0.08712%0.121CC..Hα-helixtrans-62-44.5173.1-63.7-173.9-68.2-95.40111.5L206 G208 E209 V212 I217 A315 V340L206-K214 HydrophobicContact CB-CB 4.37Å; L206-K214 HydrophobicContact CB-CD 4.35Å; L206-K214 HydrophobicContact CB-CG 4.35Å; L206-K214 HydrophobicContact CD1-CB 4.28Å; L206-K214 WeakPolarHBondContact CD1-O 3.4Å; G208-K214 PolarHBondContact O-NZ 3.29Å; E209-K214 PolarHBondContact O-NZ 3.03Å; V212-K214 HydrophobicContact CG2-CG 4.04Å; K214-I217 WeakPolarHBondContact O-CB 3.44Å; K214-I217 PolarHBondContact O-N 2.96Å; K214-A315 HydrophobicContact CB-CB 4.07Å; K214-A315 HydrophobicContact CD-CB 3.98Å; K214-V340 HydrophobicContact CG-CB 4.44Å; K214-V340 HydrophobicContact CG-CG2 4.37Å
215T93.6Very high94.9Very high50 Ų5019.8 Ų19.831%0.30712%0.123SC..Hα-helixtrans-63.4-41.9177.5-50.40000111.8I217 V218 E219 F278T215-I217 PolarHBondContact O-N 2.76Å; T215-V218 WeakPolarHBondContact O-CA 3.5Å; T215-V218 WeakPolarHBondContact O-CB 3.36Å; T215-V218 PolarHBondContact O-N 2.81Å; T215-E219 PolarHBondContact O-N 3.03Å; T215-F278 HydrophobicContact CG2-CE1 4.27Å
216A94.1Very high94.5Very high31 Ų3121 Ų2126%0.25613%0.13SC..Hα-helixtrans-56.9-35.3175.900000112.8I182 G213 V218 E219 G220I182-A216 WeakPolarHBondContact CD1-O 3.4Å; G213-A216 PolarHBondContact O-N 3.18Å; A216-V218 VanDerWaalsContact C-N 3.28Å; A216-V218 PolarHBondContact O-N 3.38Å; A216-E219 PolarHBondContact O-N 3.47Å; A216-G220 PolarHBondContact O-N 3.49Å
217I97.1Very high94Very high0 Ų027.9 Ų27.90%016%0.156CC..Hα-helixtrans-62.8-37.1174.7-67.7162.4000111.4R185 E188 I189 V192 L206 G213 K214 T215 G220 L221 V340R185-I217 HydrophobicContact CB-CG1 3.96Å; R185-I217 HydrophobicContact CG-CG1 4.04Å; E188-I217 HydrophobicContact CB-CD1 3.75Å; E188-I217 HydrophobicContact CB-CG1 4.14Å; E188-I217 HydrophobicContact CB-CG2 4.3Å; E188-I217 HydrophobicContact CG-CD1 4.1Å; I189-I217 HydrophobicContact CG1-CG2 3.96Å; V192-I217 HydrophobicContact CG2-CG2 4Å; L206-I217 HydrophobicContact CD1-CB 4.11Å; L206-I217 HydrophobicContact CD1-CG2 4.15Å; L206-I217 HydrophobicContact CD2-CD1 4.38Å; L206-I217 HydrophobicContact CD2-CG2 4.05Å; G213-I217 PolarHBondContact O-N 2.76Å; K214-I217 WeakPolarHBondContact O-CB 3.44Å; K214-I217 PolarHBondContact O-N 2.96Å; T215-I217 PolarHBondContact O-N 2.76Å; I217-G220 PolarHBondContact O-N 2.86Å; I217-L221 PolarHBondContact O-N 2.91Å; I217-V340 HydrophobicContact CD1-CB 4.23Å; I217-V340 HydrophobicContact CD1-CG1 3.64Å; I217-V340 HydrophobicContact CD1-CG2 3.49Å; I217-V340 VanDerWaalsContact CD1-CG2 3.49Å
218V96.9Very high93.6Very high1 Ų133.8 Ų33.81%0.00618%0.182CC..Hα-helixtrans-75-40.4-179.4-175.40000111.2L170 L206 T215 A216 G220 L221 A222 V239 F278 I313L170-V218 HydrophobicContact CD1-CG1 3.77Å; L206-V218 HydrophobicContact CD1-CG2 3.72Å; T215-V218 WeakPolarHBondContact O-CA 3.5Å; T215-V218 WeakPolarHBondContact O-CB 3.36Å; T215-V218 PolarHBondContact O-N 2.81Å; A216-V218 VanDerWaalsContact C-N 3.28Å; A216-V218 PolarHBondContact O-N 3.38Å; V218-G220 PolarHBondContact O-N 3.42Å; V218-L221 WeakPolarHBondContact O-CB 3.25Å; V218-L221 PolarHBondContact O-N 2.82Å; V218-A222 PolarHBondContact O-N 3.47Å; V218-V239 HydrophobicContact CG1-CG1 3.77Å; V218-F278 HydrophobicContact CB-CD1 4.46Å; V218-F278 HydrophobicContact CB-CD2 4.42Å; V218-F278 HydrophobicContact CB-CG 4.36Å; V218-F278 HydrophobicContact CG1-CB 3.92Å; V218-F278 HydrophobicContact CG1-CD1 4.07Å; V218-F278 HydrophobicContact CG1-CD2 4.15Å; V218-F278 HydrophobicContact CG1-CG 3.77Å; V218-F278 HydrophobicContact CG2-CD1 4.44Å; V218-F278 HydrophobicContact CG2-CD2 3.66Å; V218-F278 HydrophobicContact CG2-CE1 4.4Å; V218-F278 HydrophobicContact CG2-CE2 3.63Å; V218-F278 HydrophobicContact CG2-CG 4.1Å; V218-F278 HydrophobicContact CG2-CZ 4.02Å; V218-I313 HydrophobicContact CG1-CD1 4.47Å; V218-I313 HydrophobicContact CG2-CG2 4.02Å
219E94.6Very high93.4Very high39 Ų3938.6 Ų38.618%0.18221%0.206CC..Hα-helixtrans-60.2-35170.3-67.8171.5158.800110.6L170 Q179 I182 T215 A216 A222 Q223L170-E219 HydrophobicContact CD1-CG 4.49Å; Q179-E219 PolarHBondContact NE2-OE1 3.02Å; Q179-E219 VanDerWaalsContact OE1-CG 3.27Å; Q179-E219 PolarHBondContact OE1-OE1 3.09Å; Q179-E219 PolarHBondContact OE1-OE2 2.89Å; I182-E219 VanDerWaalsContact CD1-C 3.45Å; I182-E219 HydrophobicContact CD1-CB 3.87Å; T215-E219 PolarHBondContact O-N 3.03Å; A216-E219 PolarHBondContact O-N 3.47Å; E219-A222 CarbonylContact O-C 3.39Å; E219-A222 WeakPolarHBondContact O-CA 3.16Å; E219-A222 WeakPolarHBondContact O-CB 3.35Å; E219-A222 PolarHBondContact O-N 2.97Å; E219-A222 VanDerWaalsContact O-N 3.09Å; E219-Q223 WeakPolarHBondContact O-CG 3.43Å; E219-Q223 PolarHBondContact O-N 3.09Å
220G94.7Very high93.4Very high2 Ų235.9 Ų35.92%0.02119%0.194CC..Hα-helixtrans-69.9-35.8177.500000113A216 I217 V218 A222 Q223 R224A216-G220 PolarHBondContact O-N 3.49Å; I217-G220 PolarHBondContact O-N 2.86Å; V218-G220 PolarHBondContact O-N 3.42Å; G220-A222 VanDerWaalsContact C-N 3.34Å; G220-Q223 PolarHBondContact O-N 3.31Å; G220-R224 WeakPolarHBondContact O-CG 3.03Å; G220-R224 PolarHBondContact O-N 3.24Å
221L96.8Very high93.5Very high0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-60.1-46.1167174.167.7000110.9V192 I193 L196 I217 V218 Q223 R224 I225 V239 L276 I313V192-L221 HydrophobicContact CG1-CD2 3.98Å; I193-L221 HydrophobicContact CD1-CD1 4.21Å; I193-L221 HydrophobicContact CG1-CD1 3.54Å; L196-L221 HydrophobicContact CD1-CD1 4.42Å; L196-L221 HydrophobicContact CD1-CD2 3.68Å; I217-L221 PolarHBondContact O-N 2.91Å; V218-L221 WeakPolarHBondContact O-CB 3.25Å; V218-L221 PolarHBondContact O-N 2.82Å; L221-Q223 VanDerWaalsContact C-N 3.35Å; L221-Q223 PolarHBondContact O-N 3.2Å; L221-R224 PolarHBondContact O-N 3.46Å; L221-I225 HydrophobicContact CD1-CD1 4.19Å; L221-I225 HydrophobicContact CD1-CG1 4.38Å; L221-I225 HydrophobicContact CG-CD1 3.99Å; L221-I225 WeakPolarHBondContact O-CG1 3.49Å; L221-I225 PolarHBondContact O-N 3.43Å; L221-V239 HydrophobicContact CD2-CG2 4.25Å; L221-V239 HydrophobicContact CG-CG2 4.48Å; L221-L276 HydrophobicContact CD2-CD1 4.24Å; L221-I313 HydrophobicContact CD2-CD1 3.45Å; L221-I313 VanDerWaalsContact CD2-CD1 3.45Å
222A94.9Very high93.3Very high0 Ų040 Ų400%020%0.204CC..Hα-helixtrans-60.9-43.2178.100000111.7L170 V171 V174 V218 E219 G220 R224 I225 V226L170-A222 HydrophobicContact CB-CB 3.97Å; V171-A222 HydrophobicContact CG2-CB 3.95Å; V174-A222 HydrophobicContact CG2-CB 3.96Å; V218-A222 PolarHBondContact O-N 3.47Å; E219-A222 CarbonylContact O-C 3.39Å; E219-A222 WeakPolarHBondContact O-CA 3.16Å; E219-A222 WeakPolarHBondContact O-CB 3.35Å; E219-A222 PolarHBondContact O-N 2.97Å; E219-A222 VanDerWaalsContact O-N 3.09Å; G220-A222 VanDerWaalsContact C-N 3.34Å; A222-R224 PolarHBondContact O-N 3.02Å; A222-I225 PolarHBondContact O-N 3.08Å; A222-V226 WeakPolarHBondContact O-CG2 3.48Å; A222-V226 PolarHBondContact O-N 3.03Å
223Q92.2Very high93Very high26 Ų2643.7 Ų43.712%0.12122%0.223CC..Hα-helixtrans-57.4-45.1174.1-71.2-178.612.500112.3V174 D180 I182 E219 G220 L221 V226 R227V174-Q223 HydrophobicContact CG1-CB 4.49Å; V174-Q223 HydrophobicContact CG1-CG 3.99Å; V174-Q223 HydrophobicContact CG2-CG 3.73Å; D180-Q223 PolarHBondContact O-NE2 3.43Å; I182-Q223 HydrophobicContact CD1-CG 4.47Å; E219-Q223 WeakPolarHBondContact O-CG 3.43Å; E219-Q223 PolarHBondContact O-N 3.09Å; G220-Q223 PolarHBondContact O-N 3.31Å; L221-Q223 VanDerWaalsContact C-N 3.35Å; L221-Q223 PolarHBondContact O-N 3.2Å; Q223-V226 PolarHBondContact O-N 3.02Å; Q223-R227 WeakPolarHBondContact O-CB 3.29Å; Q223-R227 WeakPolarHBondContact O-CG 3.24Å; Q223-R227 PolarHBondContact O-N 2.94Å
224R93.2Very high92.9Very high31 Ų3142.7 Ų42.712%0.11721%0.213CC..Hα-helixtrans-68-35178-71.2-167.1-173.7179.25113.2D186 G220 L221 A222 R227 K228 D229 V230D186-R224 PolarHBondContact O-NH2 3.23Å; D186-R224 IonicContact OD1-CZ 3.99Å; D186-R224 IonicContact OD1-NH2 4Å; D186-R224 PolarHBondContact OD1-NH2 2.88Å; G220-R224 WeakPolarHBondContact O-CG 3.03Å; G220-R224 PolarHBondContact O-N 3.24Å; L221-R224 PolarHBondContact O-N 3.46Å; A222-R224 PolarHBondContact O-N 3.02Å; R224-R227 CarbonylContact O-C 3.55Å; R224-R227 PolarHBondContact O-N 3.39Å; R224-K228 PolarHBondContact O-N 2.98Å; R224-K228 VanDerWaalsContact O-N 3.08Å; R224-D229 PolarHBondContact O-N 3.43Å; R224-V230 HydrophobicContact CB-CG1 3.83Å
225I93.2Very high92.5Very high5 Ų544.8 Ų44.83%0.02622%0.222CC..Hα-helixtrans-62.6-47.6174.2-70.4168.4000110.3V171 L221 A222 R227 K228 V230 K237 V239 L276V171-I225 HydrophobicContact CG2-CG2 4.3Å; L221-I225 HydrophobicContact CD1-CD1 4.19Å; L221-I225 HydrophobicContact CD1-CG1 4.38Å; L221-I225 HydrophobicContact CG-CD1 3.99Å; L221-I225 WeakPolarHBondContact O-CG1 3.49Å; L221-I225 PolarHBondContact O-N 3.43Å; A222-I225 PolarHBondContact O-N 3.08Å; I225-R227 VanDerWaalsContact C-N 3.34Å; I225-R227 PolarHBondContact O-N 3.45Å; I225-K228 WeakPolarHBondContact O-CA 3.4Å; I225-K228 PolarHBondContact O-N 3.42Å; I225-V230 HydrophobicContact CG1-CG1 4.01Å; I225-V230 HydrophobicContact CG1-CG2 4.2Å; I225-K237 WeakPolarHBondContact CG2-O 3.28Å; I225-V239 HydrophobicContact CD1-CG2 3.72Å; I225-L276 HydrophobicContact CD1-CD1 4.49Å
226V88.4Confident92Very high27 Ų2749.1 Ų49.116%0.16424%0.243CC..Hα-helixtrans-59.4-45.1177.4174.20000111.2V171 V174 K175 A222 Q223 K228V171-V226 HydrophobicContact CG1-CG2 3.69Å; V174-V226 HydrophobicContact CB-CG2 4.04Å; V174-V226 HydrophobicContact CG1-CB 3.99Å; V174-V226 HydrophobicContact CG1-CG1 4.24Å; V174-V226 HydrophobicContact CG1-CG2 3.72Å; K175-V226 HydrophobicContact CG-CG1 4.04Å; K175-V226 HydrophobicContact CG-CG2 3.96Å; A222-V226 WeakPolarHBondContact O-CG2 3.48Å; A222-V226 PolarHBondContact O-N 3.03Å; Q223-V226 PolarHBondContact O-N 3.02Å; V226-K228 PolarHBondContact O-N 3.15Å; V226-K228 VanDerWaalsContact O-N 3.15Å
227R87.3Confident92Very high144 Ų14449.3 Ų49.354%0.54324%0.238SC..THydrogen-bonded Turntrans-70.8-2.3176.2-67.6175.1179.8170.21.5113.8Q223 R224 I225 D229Q223-R227 WeakPolarHBondContact O-CB 3.29Å; Q223-R227 WeakPolarHBondContact O-CG 3.24Å; Q223-R227 PolarHBondContact O-N 2.94Å; R224-R227 CarbonylContact O-C 3.55Å; R224-R227 PolarHBondContact O-N 3.39Å; I225-R227 VanDerWaalsContact C-N 3.34Å; I225-R227 PolarHBondContact O-N 3.45Å; R227-D229 PolarHBondContact O-N 3.37Å; R227-D229 VanDerWaalsContact O-N 3.11Å
228K88.5Confident91.8Very high128 Ų12850.5 Ų50.556%0.55725%0.246SC*.THydrogen-bonded Turntrans55.822.1-174.4-56.4174.8-177.5169.60113.4R224 I225 V226 V230 K235R224-K228 PolarHBondContact O-N 2.98Å; R224-K228 VanDerWaalsContact O-N 3.08Å; I225-K228 WeakPolarHBondContact O-CA 3.4Å; I225-K228 PolarHBondContact O-N 3.42Å; V226-K228 PolarHBondContact O-N 3.15Å; V226-K228 VanDerWaalsContact O-N 3.15Å; K228-V230 PolarHBondContact O-N 3.41Å; K228-V230 VanDerWaalsContact O-N 3.13Å; K228-K235 HydrophobicContact CB-CD 4.5Å; K228-K235 WeakPolarHBondContact O-CE 3.33Å
229D90.6Very high91.8Very high106 Ų10650.4 Ų50.457%0.56725%0.245SC*.  trans-88.251.7174.9-17432.2000110.6R224 R227R224-D229 PolarHBondContact O-N 3.43Å; R227-D229 PolarHBondContact O-N 3.37Å; R227-D229 VanDerWaalsContact O-N 3.11Å
230V94.7Very high91.9Very high12 Ų1249.3 Ų49.37%0.07324%0.24CC..SBendtrans-142156.8177.1-65.80000109.2I193 R224 I225 K228 L234 K235I193-V230 HydrophobicContact CD1-CG1 3.97Å; I193-V230 HydrophobicContact CG1-CG1 4.42Å; R224-V230 HydrophobicContact CB-CG1 3.83Å; I225-V230 HydrophobicContact CG1-CG1 4.01Å; I225-V230 HydrophobicContact CG1-CG2 4.2Å; K228-V230 PolarHBondContact O-N 3.41Å; K228-V230 VanDerWaalsContact O-N 3.13Å; V230-L234 HydrophobicContact CB-CB 3.94Å; V230-L234 HydrophobicContact CB-CD1 4.45Å; V230-L234 HydrophobicContact CG2-CB 3.77Å; V230-K235 HydrophobicContact CG2-CB 4.44Å; V230-K235 HydrophobicContact CG2-CG 3.81Å; V230-K235 VanDerWaalsContact O-CE 3.28Å; V230-K235 WeakPolarHBondContact O-CE 3.39Å
231P93.7Very high92Very high58 Ų5850.5 Ų50.538%0.37725%0.248SC..  trans-54.1152.8171.4-27.737.5000112.8I193 N233 L234 K235I193-P231 VanDerWaalsContact CG2-CD 3.48Å; I193-P231 HydrophobicContact CG2-CG 3.88Å; P231-N233 WeakPolarHBondContact CB-OD1 3.32Å; P231-N233 PolarHBondContact O-N 2.85Å; P231-L234 PolarHBondContact O-N 3.24Å; P231-K235 PolarHBondContact O-N 3.11Å
232E89.8Confident91.9Very high136 Ų13650.9 Ų50.964%0.63625%0.25SC*.Hα-helixtrans-50.5-36.9-175.5-68.2-60.1140.800113.8L234 K235E232-L234 PolarHBondContact O-N 3.05Å; E232-L234 VanDerWaalsContact O-N 3.15Å; E232-K235 PolarHBondContact O-N 2.99Å; E232-K235 WeakPolarHBondContact OE1-CE 3.36Å; E232-K235 IonicContact OE1-NZ 2.86Å; E232-K235 PolarHBondContact OE1-NZ 3.1Å; E232-K235 IonicContact OE2-NZ 2.75Å
233N87.7Confident91.7Very high80 Ų8054.1 Ų54.143%0.42827%0.267SS..Hα-helixtrans-68.1-10.3179.263.3-58.5000114.3S197 P231 K237S197-N233 PolarHBondContact OG-ND2 2.9Å; S197-N233 VanDerWaalsContact OG-ND2 3.16Å; P231-N233 WeakPolarHBondContact CB-OD1 3.32Å; P231-N233 PolarHBondContact O-N 2.85Å; N233-K237 WeakPolarHBondContact O-CE 3.35Å
234L92.4Very high91.5Very high1 Ų154.3 Ų54.31%0.00527%0.268CS..Hα-helixtrans-112.2-13.8178.8-61.2-176.5000113.6I193 L196 V230 P231 E232 D236 K237I193-L234 HydrophobicContact CB-CD1 4.36Å; I193-L234 HydrophobicContact CG1-CD1 4.33Å; I193-L234 HydrophobicContact CG2-CD1 3.92Å; L196-L234 HydrophobicContact CB-CD1 4.36Å; L196-L234 HydrophobicContact CB-CD2 4.13Å; V230-L234 HydrophobicContact CB-CB 3.94Å; V230-L234 HydrophobicContact CB-CD1 4.45Å; V230-L234 HydrophobicContact CG2-CB 3.77Å; P231-L234 PolarHBondContact O-N 3.24Å; E232-L234 PolarHBondContact O-N 3.05Å; E232-L234 VanDerWaalsContact O-N 3.15Å; L234-D236 VanDerWaalsContact C-N 3.3Å; L234-D236 PolarHBondContact O-N 3.18Å; L234-K237 HydrophobicContact CD2-CD 3.71Å; L234-K237 PolarHBondContact O-N 3.24Å
235K87.5Confident91.2Very high63 Ų6355 Ų5527%0.27428%0.284SS..Hα-helixtrans-60.1-36.6-173.1-74.4-174.3176.1177.70113.9K228 V230 P231 E232K228-K235 HydrophobicContact CB-CD 4.5Å; K228-K235 WeakPolarHBondContact O-CE 3.33Å; V230-K235 HydrophobicContact CG2-CB 4.44Å; V230-K235 HydrophobicContact CG2-CG 3.81Å; V230-K235 VanDerWaalsContact O-CE 3.28Å; V230-K235 WeakPolarHBondContact O-CE 3.39Å; P231-K235 PolarHBondContact O-N 3.11Å; E232-K235 PolarHBondContact O-N 2.99Å; E232-K235 WeakPolarHBondContact OE1-CE 3.36Å; E232-K235 IonicContact OE1-NZ 2.86Å; E232-K235 PolarHBondContact OE1-NZ 3.1Å; E232-K235 IonicContact OE2-NZ 2.75Å
236D84.6Confident90.8Very high142 Ų14256.8 Ų56.876%0.75930%0.298SS*.THydrogen-bonded Turntrans-100.517.9-177.7-59.3-43.2000113.1L234L234-D236 VanDerWaalsContact C-N 3.3Å; L234-D236 PolarHBondContact O-N 3.18Å
237K92.5Very high90.6Very high34 Ų3455.5 Ų55.515%0.14829%0.29CS..  trans-92.8152.6177.7-64.9-169.1-174.6-107.30111.5I225 N233 L234 G273 R274 L276I225-K237 WeakPolarHBondContact CG2-O 3.28Å; N233-K237 WeakPolarHBondContact O-CE 3.35Å; L234-K237 HydrophobicContact CD2-CD 3.71Å; L234-K237 PolarHBondContact O-N 3.24Å; K237-G273 PolarHBondContact NZ-O 3.35Å; K237-R274 CarbonylContact C-O 3.44Å; K237-R274 WeakPolarHBondContact CA-O 3.42Å; K237-R274 WeakPolarHBondContact CB-O 3.45Å; K237-L276 HydrophobicContact CB-CD1 4.41Å; K237-L276 HydrophobicContact CB-CG 4.35Å; K237-L276 HydrophobicContact CD-CD1 4.13Å; K237-L276 HydrophobicContact CD-CD2 3.84Å; K237-L276 HydrophobicContact CD-CG 3.91Å
238T93.8Very high90.4Very high25 Ų2552.2 Ų52.215%0.15328%0.282CS..EExtended strand (participates in β ladder)trans-111152.8166.9-178.60000110D169 F240 R274 I275 L276D169-T238 PolarHBondContact OD1-OG1 2.9Å; D169-T238 PolarHBondContact OD2-OG1 3.06Å; T238-F240 HydrophobicContact CG2-CD2 3.84Å; T238-F240 HydrophobicContact CG2-CE2 3.77Å; T238-R274 PolarHBondContact N-O 2.79Å; T238-I275 HydrophobicContact CG2-CB 4.35Å; T238-I275 HydrophobicContact CG2-CG1 3.69Å; T238-L276 PolarHBondContact O-N 2.89Å
239V96.5Very high89.9Confident0 Ų049.1 Ų49.10%028%0.281CS..EExtended strand (participates in β ladder)trans-113117.4176.8-173.70000108L170 V171 V218 L221 I225 L276 F278L170-V239 HydrophobicContact CB-CB 4.38Å; L170-V239 HydrophobicContact CD1-CG1 3.97Å; L170-V239 PolarHBondContact N-O 3.19Å; V171-V239 HydrophobicContact CG2-CB 4.28Å; V171-V239 HydrophobicContact CG2-CG2 4.16Å; V218-V239 HydrophobicContact CG1-CG1 3.77Å; L221-V239 HydrophobicContact CD2-CG2 4.25Å; L221-V239 HydrophobicContact CG-CG2 4.48Å; I225-V239 HydrophobicContact CD1-CG2 3.72Å; V239-L276 WeakPolarHBondContact CA-O 3.47Å; V239-L276 HydrophobicContact CG2-CB 4.32Å; V239-L276 HydrophobicContact CG2-CD1 4.16Å; V239-F278 HydrophobicContact CG1-CB 4.45Å
240F96.7Very high89Confident16 Ų1647.1 Ų47.17%0.0729%0.285CS..EExtended strand (participates in β ladder)trans-107122175.9-92.3-92.9000110.4L163 V168 D169 T238 I275 L276 L277 F278L163-F240 HydrophobicContact CD1-CB 3.95Å; L163-F240 HydrophobicContact CD1-CD1 3.86Å; L163-F240 HydrophobicContact CD1-CE1 4.49Å; L163-F240 HydrophobicContact CD1-CG 3.9Å; L163-F240 HydrophobicContact CD2-CB 4.41Å; L163-F240 HydrophobicContact CD2-CD1 3.81Å; L163-F240 HydrophobicContact CD2-CD2 3.63Å; L163-F240 HydrophobicContact CD2-CE1 3.83Å; L163-F240 HydrophobicContact CD2-CE2 3.65Å; L163-F240 HydrophobicContact CD2-CG 3.67Å; L163-F240 HydrophobicContact CD2-CZ 3.73Å; L163-F240 HydrophobicContact CG-CB 4.36Å; L163-F240 HydrophobicContact CG-CD1 3.45Å; L163-F240 VanDerWaalsContact CG-CD1 3.45Å; L163-F240 HydrophobicContact CG-CD2 4.22Å; L163-F240 HydrophobicContact CG-CE1 3.6Å; L163-F240 HydrophobicContact CG-CE2 4.35Å; L163-F240 HydrophobicContact CG-CG 3.75Å; L163-F240 HydrophobicContact CG-CZ 4.04Å; V168-F240 CarbonylContact O-C 3.55Å; V168-F240 WeakPolarHBondContact O-CA 3.3Å; D169-F240 HydrophobicContact CB-CD1 4.26Å; D169-F240 HydrophobicContact CB-CD2 4.41Å; D169-F240 HydrophobicContact CB-CE1 3.74Å; D169-F240 HydrophobicContact CB-CE2 3.91Å; D169-F240 HydrophobicContact CB-CZ 3.57Å; D169-F240 WeakPolarHBondContact OD2-CE2 3.34Å; T238-F240 HydrophobicContact CG2-CD2 3.84Å; T238-F240 HydrophobicContact CG2-CE2 3.77Å; F240-I275 HydrophobicContact CB-CG2 4.29Å; F240-I275 HydrophobicContact CD2-CG2 3.99Å; F240-L276 PolarHBondContact N-O 3.2Å; F240-L277 HydrophobicContact CB-CD1 4.43Å; F240-F278 PolarHBondContact O-N 3.27Å
241S96.3Very high88.1Confident26 Ų2647.9 Ų47.918%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-81.3124.6168-170.70000109.5G167 V168 F278G167-S241 CarbonylContact C-O 3.52Å; G167-S241 WeakPolarHBondContact CA-O 3.35Å; V168-S241 PolarHBondContact N-O 2.87Å; V168-S241 PolarHBondContact O-N 3.48Å; S241-F278 WeakPolarHBondContact OG-CD1 3.43Å
242L94.8Very high87Confident9 Ų953 Ų535%0.04731%0.309CS..EExtended strand (participates in β ladder)trans-82.4123.8175.7-171.465.7000110.1M244 L247 L261 V264 L277 F278 I279 I285L242-M244 HydrophobicContact CD2-SD 4.12Å; L242-L247 HydrophobicContact CD1-CD1 3.88Å; L242-L247 HydrophobicContact CD2-CD1 3.98Å; L242-L247 HydrophobicContact CG-CD1 3.95Å; L242-L261 HydrophobicContact CD2-CD1 4.12Å; L242-V264 HydrophobicContact CD1-CG1 3.94Å; L242-V264 HydrophobicContact CD1-CG2 4.47Å; L242-L277 HydrophobicContact CB-CD1 4.18Å; L242-F278 WeakPolarHBondContact CB-O 3.21Å; L242-F278 PolarHBondContact N-O 3.35Å; L242-I279 HydrophobicContact CB-CG1 4.18Å; L242-I279 HydrophobicContact CD2-CD1 3.83Å; L242-I279 HydrophobicContact CD2-CG1 4.04Å; L242-I285 HydrophobicContact CD2-CD1 4.18Å
243D92.2Very high86.1Confident68 Ų6853.3 Ų53.336%0.36431%0.308SS..  trans-92105.7173.9179.33.2000110.4Y166 G245 S246 L247Y166-D243 PolarHBondContact O-N 2.98Å; D243-G245 VanDerWaalsContact C-N 3.31Å; D243-G245 PolarHBondContact O-N 3.49Å; D243-G245 WeakPolarHBondContact OD1-CA 3.4Å; D243-G245 PolarHBondContact OD1-N 2.98Å; D243-S246 PolarHBondContact O-N 3.08Å; D243-S246 PolarHBondContact OD1-N 3.43Å; D243-S246 VanDerWaalsContact OD2-CB 3.26Å; D243-S246 WeakPolarHBondContact OD2-CB 3.41Å; D243-S246 PolarHBondContact OD2-N 3.43Å; D243-S246 PolarHBondContact OD2-OG 3.44Å; D243-L247 PolarHBondContact O-N 3.17Å
244M87.6Confident85.5Confident30 Ų3056.6 Ų56.615%0.14832%0.315CS..Hα-helixtrans-65.3-33.8177.2-69.6-59.3-61.400112.6L242 L247 I248 F257 I285L242-M244 HydrophobicContact CD2-SD 4.12Å; M244-L247 PolarHBondContact O-N 3.44Å; M244-L247 HydrophobicContact SD-CD1 4.05Å; M244-I248 WeakPolarHBondContact O-CD1 3.47Å; M244-I248 VanDerWaalsContact O-CG1 3.23Å; M244-I248 WeakPolarHBondContact O-CG1 3.36Å; M244-I248 PolarHBondContact O-N 2.83Å; M244-F257 HydrophobicContact CE-CE2 3.87Å; M244-F257 HydrophobicContact CE-CZ 3.86Å; M244-I285 HydrophobicContact CE-CD1 4.19Å; M244-I285 HydrophobicContact CE-CG1 3.92Å; M244-I285 HydrophobicContact SD-CD1 3.62Å; M244-I285 HydrophobicContact SD-CG1 4Å
245G85.7Confident84.8Confident44 Ų4458.8 Ų58.845%0.45434%0.337SS..Hα-helixtrans-63-47.4177.500000111.1D243 L247 I248 A249D243-G245 VanDerWaalsContact C-N 3.31Å; D243-G245 PolarHBondContact O-N 3.49Å; D243-G245 WeakPolarHBondContact OD1-CA 3.4Å; D243-G245 PolarHBondContact OD1-N 2.98Å; G245-L247 VanDerWaalsContact C-N 3.35Å; G245-L247 PolarHBondContact O-N 2.94Å; G245-I248 PolarHBondContact O-N 3.12Å; G245-A249 WeakPolarHBondContact O-CB 3.46Å; G245-A249 PolarHBondContact O-N 3.27Å
246S85.9Confident84.5Confident44 Ų4457.3 Ų57.331%0.30833%0.332SS..Hα-helixtrans-63.9-34.9177.3-71.30000113.5Y166 D243 I248Y166-S246 WeakPolarHBondContact CD1-O 3.33Å; Y166-S246 WeakPolarHBondContact CE1-O 3.17Å; D243-S246 PolarHBondContact O-N 3.08Å; D243-S246 PolarHBondContact OD1-N 3.43Å; D243-S246 VanDerWaalsContact OD2-CB 3.26Å; D243-S246 WeakPolarHBondContact OD2-CB 3.41Å; D243-S246 PolarHBondContact OD2-N 3.43Å; D243-S246 PolarHBondContact OD2-OG 3.44Å; S246-I248 VanDerWaalsContact C-N 3.32Å; S246-I248 PolarHBondContact O-N 3.32Å
247L84.3Confident84.5Confident0 Ų051 Ų510%030%0.298CS..Hα-helixtrans-64.6-37.1174.6-78.3172.4000112.7Y166 L242 D243 M244 G245 F257 R260 L261 V264Y166-L247 HydrophobicContact CD1-CD2 3.84Å; Y166-L247 HydrophobicContact CD1-CG 4.23Å; Y166-L247 HydrophobicContact CD2-CD2 3.81Å; Y166-L247 HydrophobicContact CE1-CD2 4.46Å; Y166-L247 HydrophobicContact CE2-CD2 4.46Å; Y166-L247 HydrophobicContact CG-CD2 3.48Å; Y166-L247 VanDerWaalsContact CG-CD2 3.48Å; Y166-L247 HydrophobicContact CG-CG 4.13Å; L242-L247 HydrophobicContact CD1-CD1 3.88Å; L242-L247 HydrophobicContact CD2-CD1 3.98Å; L242-L247 HydrophobicContact CG-CD1 3.95Å; D243-L247 PolarHBondContact O-N 3.17Å; M244-L247 PolarHBondContact O-N 3.44Å; M244-L247 HydrophobicContact SD-CD1 4.05Å; G245-L247 VanDerWaalsContact C-N 3.35Å; G245-L247 PolarHBondContact O-N 2.94Å; L247-F257 HydrophobicContact CB-CD2 3.97Å; L247-F257 HydrophobicContact CB-CE2 3.83Å; L247-F257 HydrophobicContact CD1-CE2 4.06Å; L247-R260 HydrophobicContact CD2-CB 3.83Å; L247-R260 PolarHBondContact O-NH1 2.78Å; L247-L261 HydrophobicContact CD1-CD1 4.31Å; L247-V264 HydrophobicContact CD2-CG2 4.38Å
248I82.4Confident84.1Confident74 Ų7452.9 Ų52.938%0.37931%0.307SS..Hα-helixtrans-82.8-33.6-177-64.1164.9000111.1M244 G245 S246 G250 A251 F257 M295M244-I248 WeakPolarHBondContact O-CD1 3.47Å; M244-I248 VanDerWaalsContact O-CG1 3.23Å; M244-I248 WeakPolarHBondContact O-CG1 3.36Å; M244-I248 PolarHBondContact O-N 2.83Å; G245-I248 PolarHBondContact O-N 3.12Å; S246-I248 VanDerWaalsContact C-N 3.32Å; S246-I248 PolarHBondContact O-N 3.32Å; I248-G250 PolarHBondContact O-N 3.26Å; I248-G250 VanDerWaalsContact O-N 3.13Å; I248-A251 WeakPolarHBondContact O-CB 3.36Å; I248-A251 PolarHBondContact O-N 3.37Å; I248-F257 HydrophobicContact CG1-CD2 4.19Å; I248-F257 HydrophobicContact CG1-CE2 4.35Å; I248-M295 HydrophobicContact CD1-CE 3.85Å; I248-M295 HydrophobicContact CD1-SD 4.19Å; I248-M295 HydrophobicContact CG1-SD 4.26Å
249A78.8Confident83.6Confident63 Ų6354.7 Ų54.752%0.52131%0.313SS..THydrogen-bonded Turntrans-53.8119.6-178.400000111.4G245 A251 R260G245-A249 WeakPolarHBondContact O-CB 3.46Å; G245-A249 PolarHBondContact O-N 3.27Å; A249-A251 VanDerWaalsContact C-N 3.27Å; A249-A251 PolarHBondContact O-N 2.9Å; A249-R260 PolarHBondContact O-NH1 2.94Å
250G71.2Confident83.1Confident65 Ų6555 Ų5567%0.6731%0.314SS*.THydrogen-bonded Turntrans78.6-6-178.900000116.1I248 K252I248-G250 PolarHBondContact O-N 3.26Å; I248-G250 VanDerWaalsContact O-N 3.13Å; G250-K252 PolarHBondContact O-N 3.15Å
251A75.3Confident82.8Confident27 Ų2754.2 Ų54.222%0.22331%0.311CS..  trans-76.9105.4174.600000109.9I248 A249 E256I248-A251 WeakPolarHBondContact O-CB 3.36Å; I248-A251 PolarHBondContact O-N 3.37Å; A249-A251 VanDerWaalsContact C-N 3.27Å; A249-A251 PolarHBondContact O-N 2.9Å; A251-E256 WeakPolarHBondContact CA-OE2 3.45Å; A251-E256 HydrophobicContact CB-CB 4.18Å
252K70.8Confident82.4Confident167 Ų16757.6 Ų57.673%0.72632%0.322SS*.  trans-76.8-29.8177-69.5175.7-176.4163.30111.2G250 E256G250-K252 PolarHBondContact O-N 3.15Å; K252-E256 PolarHBondContact N-OE2 3.16Å
253F72.2Confident82Confident141 Ų14157.6 Ų57.662%0.61832%0.324SS*.SBendtrans-123.5145.5-176.7-57.3-75.7000111.8G255 E256F253-G255 PolarHBondContact O-N 3.47Å; F253-G255 VanDerWaalsContact O-N 3.12Å; F253-E256 HydrophobicContact CB-CG 4.4Å; F253-E256 PolarHBondContact N-OE2 3.13Å; F253-E256 WeakPolarHBondContact O-CB 3.29Å; F253-E256 PolarHBondContact O-N 3.38Å
254R73.6Confident82Confident150 Ų15054.3 Ų54.357%0.56631%0.306SS*.Hα-helixtrans-55-32.1176.3-69.4-173.5-178.5161.55.6113.7E256 F257 E258 G293R254-E256 VanDerWaalsContact C-N 3.27Å; R254-E256 PolarHBondContact O-N 3.39Å; R254-F257 PolarHBondContact O-N 2.91Å; R254-E258 PolarHBondContact O-N 3.05Å; R254-E258 VanDerWaalsContact O-N 3.08Å; R254-G293 PolarHBondContact NH2-O 2.87Å
255G78.5Confident82.2Confident46 Ų4653.1 Ų53.147%0.47430%0.3SS..Hα-helixtrans-61.8-34.617800000113F253 E258 E259F253-G255 PolarHBondContact O-N 3.47Å; F253-G255 VanDerWaalsContact O-N 3.12Å; G255-E258 PolarHBondContact O-N 2.97Å; G255-E259 WeakPolarHBondContact O-CB 3.28Å; G255-E259 PolarHBondContact O-N 3.45Å
256E81Confident82.3Confident33 Ų3355.1 Ų55.115%0.15430%0.297CS..Hα-helixtrans-70.1-44.3179.2-61.9171.8162.200110.6N155 A251 K252 F253 R254 E258 E259 R260N155-E256 PolarHBondContact ND2-OE1 3.41Å; A251-E256 WeakPolarHBondContact CA-OE2 3.45Å; A251-E256 HydrophobicContact CB-CB 4.18Å; K252-E256 PolarHBondContact N-OE2 3.16Å; F253-E256 HydrophobicContact CB-CG 4.4Å; F253-E256 PolarHBondContact N-OE2 3.13Å; F253-E256 WeakPolarHBondContact O-CB 3.29Å; F253-E256 PolarHBondContact O-N 3.38Å; R254-E256 VanDerWaalsContact C-N 3.27Å; R254-E256 PolarHBondContact O-N 3.39Å; E256-E258 VanDerWaalsContact C-N 3.33Å; E256-E258 PolarHBondContact O-N 3.36Å; E256-E259 PolarHBondContact O-N 3.18Å; E256-R260 WeakPolarHBondContact O-CB 3.48Å; E256-R260 VanDerWaalsContact O-CG 3.26Å; E256-R260 WeakPolarHBondContact O-CG 3.33Å; E256-R260 PolarHBondContact O-N 3.08Å
257F83.5Confident82.4Confident10 Ų1055.4 Ų55.44%0.04429%0.293CS..Hα-helixtrans-56.2-47.7172.1168.7-94.5000111.5M244 L247 I248 R254 E259 R260 L261 M295 A297M244-F257 HydrophobicContact CE-CE2 3.87Å; M244-F257 HydrophobicContact CE-CZ 3.86Å; L247-F257 HydrophobicContact CB-CD2 3.97Å; L247-F257 HydrophobicContact CB-CE2 3.83Å; L247-F257 HydrophobicContact CD1-CE2 4.06Å; I248-F257 HydrophobicContact CG1-CD2 4.19Å; I248-F257 HydrophobicContact CG1-CE2 4.35Å; R254-F257 PolarHBondContact O-N 2.91Å; F257-E259 VanDerWaalsContact C-N 3.33Å; F257-E259 PolarHBondContact O-N 2.99Å; F257-R260 PolarHBondContact O-N 2.78Å; F257-L261 HydrophobicContact CE1-CD2 4.16Å; F257-L261 HydrophobicContact CZ-CD2 4.16Å; F257-L261 WeakPolarHBondContact O-CB 3.34Å; F257-L261 PolarHBondContact O-N 3.13Å; F257-M295 HydrophobicContact CD1-CB 4.48Å; F257-M295 HydrophobicContact CD1-CG 4.49Å; F257-M295 HydrophobicContact CD1-SD 4.29Å; F257-M295 HydrophobicContact CD2-SD 4.26Å; F257-M295 HydrophobicContact CE1-CB 4.04Å; F257-M295 HydrophobicContact CE1-CG 4.42Å; F257-M295 HydrophobicContact CE1-SD 4.17Å; F257-M295 HydrophobicContact CE2-SD 4.13Å; F257-M295 HydrophobicContact CG-SD 4.34Å; F257-M295 HydrophobicContact CZ-SD 4.09Å; F257-A297 HydrophobicContact CE1-CB 4.14Å
258E84.6Confident82.7Confident72 Ų7255.5 Ų55.534%0.33629%0.294SS..Hα-helixtrans-63.5-37.4177.2-79.8-167.3-162.400113R254 G255 E256 K262 L300R254-E258 PolarHBondContact O-N 3.05Å; R254-E258 VanDerWaalsContact O-N 3.08Å; G255-E258 PolarHBondContact O-N 2.97Å; E256-E258 VanDerWaalsContact C-N 3.33Å; E256-E258 PolarHBondContact O-N 3.36Å; E258-K262 VanDerWaalsContact O-CB 3.3Å; E258-K262 WeakPolarHBondContact O-CB 3.44Å; E258-K262 WeakPolarHBondContact O-CD 3.43Å; E258-K262 WeakPolarHBondContact O-CG 3.25Å; E258-K262 PolarHBondContact O-N 3.08Å; E258-K262 IonicContact OE2-NZ 3.9Å; E258-K262 PolarHBondContact OE2-NZ 3.22Å; E258-K262 VanDerWaalsContact OE2-NZ 3.12Å; E258-L300 HydrophobicContact CB-CD1 4.5Å; E258-L300 HydrophobicContact CG-CD1 4.4Å
259E84.3Confident83Confident63 Ų6356 Ų5629%0.29429%0.293SS..Hα-helixtrans-66.1-45.1177.9-170.3172.4-177.800111S153 T159 G255 E256 F257 K262 A263S153-E259 VanDerWaalsContact CB-OE1 3.27Å; S153-E259 WeakPolarHBondContact CB-OE1 3.38Å; S153-E259 PolarHBondContact OG-OE1 3.13Å; T159-E259 HydrophobicContact CG2-CG 4.14Å; G255-E259 WeakPolarHBondContact O-CB 3.28Å; G255-E259 PolarHBondContact O-N 3.45Å; E256-E259 PolarHBondContact O-N 3.18Å; F257-E259 VanDerWaalsContact C-N 3.33Å; F257-E259 PolarHBondContact O-N 2.99Å; E259-K262 WeakPolarHBondContact O-CB 3.33Å; E259-K262 PolarHBondContact O-N 3.06Å; E259-A263 PolarHBondContact O-N 3.33Å
260R86.3Confident83.4Confident6 Ų658.3 Ų58.32%0.02329%0.291CS..Hα-helixtrans-60.2-47.3173.6-67.8169.1-177.9-171-0.5111.5E158 Y166 L247 A249 E256 F257 K262 A263 V264E158-R260 IonicContact OE1-CZ 2.68Å; E158-R260 IonicContact OE1-NH2 2.99Å; E158-R260 PolarHBondContact OE1-NH2 3.38Å; E158-R260 IonicContact OE2-CZ 3Å; E158-R260 IonicContact OE2-NE 2.84Å; E158-R260 PolarHBondContact OE2-NE 3.08Å; E158-R260 IonicContact OE2-NH2 4Å; E158-R260 PolarHBondContact OE2-NH2 3.32Å; Y166-R260 HydrophobicContact CD2-CB 4.47Å; Y166-R260 HydrophobicContact CE2-CB 3.96Å; Y166-R260 HydrophobicContact CE2-CG 3.99Å; Y166-R260 WeakPolarHBondContact OH-CD 3.22Å; Y166-R260 PolarHBondContact OH-NE 3.44Å; L247-R260 HydrophobicContact CD2-CB 3.83Å; L247-R260 PolarHBondContact O-NH1 2.78Å; A249-R260 PolarHBondContact O-NH1 2.94Å; E256-R260 WeakPolarHBondContact O-CB 3.48Å; E256-R260 VanDerWaalsContact O-CG 3.26Å; E256-R260 WeakPolarHBondContact O-CG 3.33Å; E256-R260 PolarHBondContact O-N 3.08Å; F257-R260 PolarHBondContact O-N 2.78Å; R260-K262 PolarHBondContact O-N 2.91Å; R260-A263 WeakPolarHBondContact O-CB 3.44Å; R260-A263 PolarHBondContact O-N 3.43Å; R260-A263 VanDerWaalsContact O-N 3.15Å; R260-V264 WeakPolarHBondContact O-CG2 3.42Å; R260-V264 PolarHBondContact O-N 2.8Å
261L89.1Confident84.1Confident0 Ų055.7 Ų55.70%026%0.263CS..Hα-helixtrans-64.6-39.3177-177.460.9000112L242 L247 F257 A263 V264 L265 I285 A297 L300L242-L261 HydrophobicContact CD2-CD1 4.12Å; L247-L261 HydrophobicContact CD1-CD1 4.31Å; F257-L261 HydrophobicContact CE1-CD2 4.16Å; F257-L261 HydrophobicContact CZ-CD2 4.16Å; F257-L261 WeakPolarHBondContact O-CB 3.34Å; F257-L261 PolarHBondContact O-N 3.13Å; L261-A263 VanDerWaalsContact C-N 3.29Å; L261-A263 PolarHBondContact O-N 3.19Å; L261-V264 PolarHBondContact O-N 2.86Å; L261-L265 HydrophobicContact CD1-CD1 4.48Å; L261-L265 HydrophobicContact CD1-CG 4.35Å; L261-L265 HydrophobicContact CG-CD1 4.16Å; L261-L265 HydrophobicContact CG-CG 4.45Å; L261-L265 WeakPolarHBondContact O-CB 3.49Å; L261-L265 VanDerWaalsContact O-CG 3.24Å; L261-L265 WeakPolarHBondContact O-CG 3.46Å; L261-L265 PolarHBondContact O-N 3.48Å; L261-I285 HydrophobicContact CD2-CG2 4.36Å; L261-A297 HydrophobicContact CD2-CB 3.41Å; L261-A297 VanDerWaalsContact CD2-CB 3.41Å; L261-L300 HydrophobicContact CD2-CD1 4.24Å
262K88.6Confident84.5Confident97 Ų9761.5 Ų61.542%0.42229%0.29SS..Hα-helixtrans-60.6-39.5172.9-79.4166.8-168.7151.80111.4E258 E259 R260 L265 K266 L300E258-K262 VanDerWaalsContact O-CB 3.3Å; E258-K262 WeakPolarHBondContact O-CB 3.44Å; E258-K262 WeakPolarHBondContact O-CD 3.43Å; E258-K262 WeakPolarHBondContact O-CG 3.25Å; E258-K262 PolarHBondContact O-N 3.08Å; E258-K262 IonicContact OE2-NZ 3.9Å; E258-K262 PolarHBondContact OE2-NZ 3.22Å; E258-K262 VanDerWaalsContact OE2-NZ 3.12Å; E259-K262 WeakPolarHBondContact O-CB 3.33Å; E259-K262 PolarHBondContact O-N 3.06Å; R260-K262 PolarHBondContact O-N 2.91Å; K262-L265 PolarHBondContact O-N 3Å; K262-K266 VanDerWaalsContact O-CB 3.3Å; K262-K266 WeakPolarHBondContact O-CB 3.23Å; K262-K266 PolarHBondContact O-N 2.93Å; K262-L300 HydrophobicContact CD-CD2 4.27Å; K262-L300 HydrophobicContact CG-CD1 3.9Å; K262-L300 HydrophobicContact CG-CD2 4.03Å
263A87.4Confident85.2Confident9 Ų954.3 Ų54.37%0.07426%0.263CS..Hα-helixtrans-63.3-48.9176.700000111.3T159 A162 E259 R260 L261 L265 K266 E267T159-A263 HydrophobicContact CG2-CB 4.17Å; A162-A263 HydrophobicContact CB-CB 3.6Å; E259-A263 PolarHBondContact O-N 3.33Å; R260-A263 WeakPolarHBondContact O-CB 3.44Å; R260-A263 PolarHBondContact O-N 3.43Å; R260-A263 VanDerWaalsContact O-N 3.15Å; L261-A263 VanDerWaalsContact C-N 3.29Å; L261-A263 PolarHBondContact O-N 3.19Å; A263-L265 VanDerWaalsContact C-N 3.34Å; A263-L265 PolarHBondContact O-N 3.43Å; A263-K266 WeakPolarHBondContact O-CB 3.49Å; A263-K266 PolarHBondContact O-N 3.24Å; A263-K266 VanDerWaalsContact O-N 3.13Å; A263-E267 PolarHBondContact O-N 3.47Å
264V91.4Very high86Confident0 Ų055 Ų550%026%0.262CS..Hα-helixtrans-54.1-50.7173.6173.80000110.8A162 L163 Y166 L242 L247 R260 L261 K266 E267 V268A162-V264 HydrophobicContact CB-CG2 3.85Å; L163-V264 HydrophobicContact CD1-CG1 3.74Å; Y166-V264 HydrophobicContact CD2-CG2 3.97Å; Y166-V264 HydrophobicContact CG-CG2 4.46Å; L242-V264 HydrophobicContact CD1-CG1 3.94Å; L242-V264 HydrophobicContact CD1-CG2 4.47Å; L247-V264 HydrophobicContact CD2-CG2 4.38Å; R260-V264 WeakPolarHBondContact O-CG2 3.42Å; R260-V264 PolarHBondContact O-N 2.8Å; L261-V264 PolarHBondContact O-N 2.86Å; V264-K266 VanDerWaalsContact C-N 3.31Å; V264-K266 PolarHBondContact O-N 3.45Å; V264-E267 PolarHBondContact O-N 2.97Å; V264-V268 WeakPolarHBondContact O-CG2 3.49Å; V264-V268 PolarHBondContact O-N 3.2Å
265L91.8Very high86.9Confident4 Ų448.8 Ų48.82%0.02124%0.24CC..Hα-helixtrans-64.5-34.1-179.7-68.4175.4000112.8L261 K262 A263 V268 K269 L277 L300 L301 M304 L310L261-L265 HydrophobicContact CD1-CD1 4.48Å; L261-L265 HydrophobicContact CD1-CG 4.35Å; L261-L265 HydrophobicContact CG-CD1 4.16Å; L261-L265 HydrophobicContact CG-CG 4.45Å; L261-L265 WeakPolarHBondContact O-CB 3.49Å; L261-L265 VanDerWaalsContact O-CG 3.24Å; L261-L265 WeakPolarHBondContact O-CG 3.46Å; L261-L265 PolarHBondContact O-N 3.48Å; K262-L265 PolarHBondContact O-N 3Å; A263-L265 VanDerWaalsContact C-N 3.34Å; A263-L265 PolarHBondContact O-N 3.43Å; L265-V268 PolarHBondContact O-N 3.39Å; L265-K269 WeakPolarHBondContact O-CB 3.19Å; L265-K269 PolarHBondContact O-N 3.21Å; L265-L277 HydrophobicContact CD2-CD2 4.18Å; L265-L300 HydrophobicContact CD1-CB 3.97Å; L265-L301 HydrophobicContact CD1-CD2 3.76Å; L265-L301 HydrophobicContact CD2-CD2 3.67Å; L265-L301 HydrophobicContact CG-CD2 4.34Å; L265-M304 HydrophobicContact CB-CE 4.19Å; L265-M304 HydrophobicContact CB-SD 3.85Å; L265-M304 HydrophobicContact CD1-SD 4.22Å; L265-M304 HydrophobicContact CD2-SD 4.44Å; L265-M304 HydrophobicContact CG-SD 4.4Å; L265-M304 WeakPolarHBondContact O-CE 3.3Å; L265-L310 HydrophobicContact CD2-CD1 4.24Å; L265-L310 HydrophobicContact CD2-CD2 4.09Å
266K88.7Confident87.7Confident87 Ų8746.7 Ų46.738%0.37822%0.217SC..Hα-helixtrans-63.9-41.7175.5-173.4-175.6-177.4-171.80110.9D149 K262 A263 V264 K269 K270D149-K266 IonicContact OD1-NZ 3.09Å; D149-K266 PolarHBondContact OD1-NZ 2.98Å; D149-K266 IonicContact OD2-NZ 3.35Å; D149-K266 PolarHBondContact OD2-NZ 2.82Å; K262-K266 VanDerWaalsContact O-CB 3.3Å; K262-K266 WeakPolarHBondContact O-CB 3.23Å; K262-K266 PolarHBondContact O-N 2.93Å; A263-K266 WeakPolarHBondContact O-CB 3.49Å; A263-K266 PolarHBondContact O-N 3.24Å; A263-K266 VanDerWaalsContact O-N 3.13Å; V264-K266 VanDerWaalsContact C-N 3.31Å; V264-K266 PolarHBondContact O-N 3.45Å; K266-K269 PolarHBondContact O-N 3.48Å; K266-K270 WeakPolarHBondContact O-CG 3.3Å; K266-K270 PolarHBondContact O-N 2.57Å
267E87.6Confident88.5Confident50 Ų5045.1 Ų45.123%0.23421%0.21CC..Hα-helixtrans-65.5-44.9174.9-70.7-177.1-17100111.8K161 A162 L163 A263 V264 K269 K270 S271K161-E267 WeakPolarHBondContact CA-OE1 3.2Å; K161-E267 PolarHBondContact N-OE1 2.96Å; K161-E267 VanDerWaalsContact N-OE1 3.16Å; A162-E267 PolarHBondContact N-OE1 3.18Å; A162-E267 PolarHBondContact N-OE2 3.34Å; L163-E267 HydrophobicContact CB-CB 4.42Å; L163-E267 WeakPolarHBondContact CB-OE2 3.39Å; L163-E267 PolarHBondContact N-OE2 2.93Å; A263-E267 PolarHBondContact O-N 3.47Å; V264-E267 PolarHBondContact O-N 2.97Å; E267-K269 VanDerWaalsContact C-N 3.27Å; E267-K269 PolarHBondContact O-N 2.86Å; E267-K270 PolarHBondContact O-N 3.38Å; E267-K270 VanDerWaalsContact O-N 3.17Å; E267-S271 PolarHBondContact O-N 3.27Å; E267-S271 VanDerWaalsContact O-N 3.09Å
268V90.7Very high89.2Confident1 Ų144.7 Ų44.71%0.00621%0.208CC..Hα-helixtrans-57-43.5174176.30000110.9L163 V264 L265 S271 I275 L310L163-V268 HydrophobicContact CD1-CG2 4.1Å; V264-V268 WeakPolarHBondContact O-CG2 3.49Å; V264-V268 PolarHBondContact O-N 3.2Å; L265-V268 PolarHBondContact O-N 3.39Å; V268-S271 WeakPolarHBondContact O-CB 3.45Å; V268-S271 PolarHBondContact O-N 3.09Å; V268-S271 PolarHBondContact O-OG 2.81Å; V268-I275 HydrophobicContact CG1-CB 4.32Å; V268-I275 HydrophobicContact CG1-CG2 4.33Å; V268-I275 HydrophobicContact CG2-CG2 4.05Å; V268-L310 HydrophobicContact CG1-CD1 3.58Å
269K88.5Confident89.7Confident86 Ų8641.2 Ų41.237%0.37419%0.192SC..Hα-helixtrans-63.3-45.9176.1-179.1172.3174.8157.90112.7L265 K266 E267 S271 D272 M304 E309L265-K269 WeakPolarHBondContact O-CB 3.19Å; L265-K269 PolarHBondContact O-N 3.21Å; K266-K269 PolarHBondContact O-N 3.48Å; E267-K269 VanDerWaalsContact C-N 3.27Å; E267-K269 PolarHBondContact O-N 2.86Å; K269-S271 PolarHBondContact O-N 2.6Å; K269-D272 PolarHBondContact O-N 3.1Å; K269-M304 HydrophobicContact CB-CE 3.78Å; K269-M304 HydrophobicContact CD-CE 4.41Å; K269-M304 HydrophobicContact CG-CE 4.48Å; K269-E309 VanDerWaalsContact CE-CD 3.45Å; K269-E309 WeakPolarHBondContact CE-OE1 3.46Å; K269-E309 WeakPolarHBondContact CE-OE2 3.39Å; K269-E309 HydrophobicContact CG-CB 4.41Å; K269-E309 IonicContact NZ-OE1 2.9Å; K269-E309 PolarHBondContact NZ-OE1 3.12Å; K269-E309 IonicContact NZ-OE2 2.87Å; K269-E309 PolarHBondContact NZ-OE2 3.01Å
270K86.5Confident90.2Very high111 Ų11141.1 Ų41.148%0.48319%0.193SC..Hα-helixtrans-61.6-20.2177.9-76.8179.4-179.6-179.70112.5D149 K266 E267 D272D149-K270 IonicContact OD2-NZ 3.26Å; K266-K270 WeakPolarHBondContact O-CG 3.3Å; K266-K270 PolarHBondContact O-N 2.57Å; E267-K270 PolarHBondContact O-N 3.38Å; E267-K270 VanDerWaalsContact O-N 3.17Å; K270-D272 PolarHBondContact O-N 3.45Å
271S86.3Confident90.4Very high10 Ų1045.7 Ų45.77%0.0722%0.215CC..THydrogen-bonded Turntrans-70.4-7.9177.282.50000114.5E267 V268 K269 G273 R274 I275E267-S271 PolarHBondContact O-N 3.27Å; E267-S271 VanDerWaalsContact O-N 3.09Å; V268-S271 WeakPolarHBondContact O-CB 3.45Å; V268-S271 PolarHBondContact O-N 3.09Å; V268-S271 PolarHBondContact O-OG 2.81Å; K269-S271 PolarHBondContact O-N 2.6Å; S271-G273 VanDerWaalsContact C-N 3.26Å; S271-G273 PolarHBondContact O-N 3.14Å; S271-R274 WeakPolarHBondContact O-CB 3.47Å; S271-R274 WeakPolarHBondContact O-CG 3.38Å; S271-R274 PolarHBondContact O-N 2.98Å; S271-R274 PolarHBondContact O-NE 3.11Å; S271-R274 VanDerWaalsContact O-NE 3.07Å; S271-R274 PolarHBondContact OG-N 3.31Å; S271-I275 VanDerWaalsContact CB-CD1 3.42Å; S271-I275 WeakPolarHBondContact OG-CG1 3.4Å; S271-I275 PolarHBondContact OG-N 2.84Å
272D83.9Confident90.5Very high148 Ų14845.7 Ų45.779%0.79122%0.215SC*.THydrogen-bonded Turntrans52.843.7-176.1-69.1-35.2000112.6K269 K270 R274K269-D272 PolarHBondContact O-N 3.1Å; K270-D272 PolarHBondContact O-N 3.45Å; D272-R274 VanDerWaalsContact C-N 3.34Å; D272-R274 PolarHBondContact O-N 2.96Å
273G84.2Confident90.5Very high16 Ų1642.1 Ų42.117%0.16520%0.2CC..THydrogen-bonded Turntrans80.27.2177.400000114.5K237 S271 I275K237-G273 PolarHBondContact NZ-O 3.35Å; S271-G273 VanDerWaalsContact C-N 3.26Å; S271-G273 PolarHBondContact O-N 3.14Å; G273-I275 PolarHBondContact O-N 3.38Å
274R89Confident90.4Very high157 Ų15744.5 Ų44.559%0.59221%0.212SC*.  trans-70.9-19.6174.4-70.3-176.9-72.3167-2.1113.4K237 T238 S271 D272K237-R274 CarbonylContact C-O 3.44Å; K237-R274 WeakPolarHBondContact CA-O 3.42Å; K237-R274 WeakPolarHBondContact CB-O 3.45Å; T238-R274 PolarHBondContact N-O 2.79Å; S271-R274 WeakPolarHBondContact O-CB 3.47Å; S271-R274 WeakPolarHBondContact O-CG 3.38Å; S271-R274 PolarHBondContact O-N 2.98Å; S271-R274 PolarHBondContact O-NE 3.11Å; S271-R274 VanDerWaalsContact O-NE 3.07Å; S271-R274 PolarHBondContact OG-N 3.31Å; D272-R274 VanDerWaalsContact C-N 3.34Å; D272-R274 PolarHBondContact O-N 2.96Å
275I93.6Very high89.9Confident19 Ų1944.6 Ų44.610%0.09721%0.212CC..EExtended strand (participates in β ladder)trans-100.9128.6-179-60.3172.5000110.5L163 T238 F240 V268 S271 G273L163-I275 HydrophobicContact CD2-CD1 3.56Å; L163-I275 HydrophobicContact CD2-CG2 4.24Å; T238-I275 HydrophobicContact CG2-CB 4.35Å; T238-I275 HydrophobicContact CG2-CG1 3.69Å; F240-I275 HydrophobicContact CB-CG2 4.29Å; F240-I275 HydrophobicContact CD2-CG2 3.99Å; V268-I275 HydrophobicContact CG1-CB 4.32Å; V268-I275 HydrophobicContact CG1-CG2 4.33Å; V268-I275 HydrophobicContact CG2-CG2 4.05Å; S271-I275 VanDerWaalsContact CB-CD1 3.42Å; S271-I275 WeakPolarHBondContact OG-CG1 3.4Å; S271-I275 PolarHBondContact OG-N 2.84Å; G273-I275 PolarHBondContact O-N 3.38Å
276L96Very high89.2Confident1 Ų144.7 Ų44.71%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-98.4119.7165.5-59.6179.2000107.9L196 L221 I225 K237 T238 V239 F240 H311L196-L276 HydrophobicContact CD1-CD1 3.96Å; L196-L276 HydrophobicContact CD2-CD2 4.1Å; L221-L276 HydrophobicContact CD2-CD1 4.24Å; I225-L276 HydrophobicContact CD1-CD1 4.49Å; K237-L276 HydrophobicContact CB-CD1 4.41Å; K237-L276 HydrophobicContact CB-CG 4.35Å; K237-L276 HydrophobicContact CD-CD1 4.13Å; K237-L276 HydrophobicContact CD-CD2 3.84Å; K237-L276 HydrophobicContact CD-CG 3.91Å; T238-L276 PolarHBondContact O-N 2.89Å; V239-L276 WeakPolarHBondContact CA-O 3.47Å; V239-L276 HydrophobicContact CG2-CB 4.32Å; V239-L276 HydrophobicContact CG2-CD1 4.16Å; F240-L276 PolarHBondContact N-O 3.2Å; L276-H311 HydrophobicContact CD2-CB 3.56Å
277L96.9Very high88.1Confident0 Ų041 Ų410%020%0.2CC..EExtended strand (participates in β ladder)trans-92.3122.2178.5-170.766.6000109.5L163 F240 L242 L265 I279 L310 H311 L312 I313L163-L277 HydrophobicContact CD1-CD1 4.3Å; F240-L277 HydrophobicContact CB-CD1 4.43Å; L242-L277 HydrophobicContact CB-CD1 4.18Å; L265-L277 HydrophobicContact CD2-CD2 4.18Å; L277-I279 HydrophobicContact CD2-CD1 3.95Å; L277-I279 HydrophobicContact CD2-CG1 4.21Å; L277-I279 HydrophobicContact CG-CD1 4.4Å; L277-I279 HydrophobicContact CG-CG1 4.1Å; L277-L310 HydrophobicContact CB-CD1 4.22Å; L277-L310 HydrophobicContact CD2-CD1 4.18Å; L277-H311 PolarHBondContact N-O 3.48Å; L277-L312 CarbonylContact O-C 2.88Å; L277-L312 VanDerWaalsContact O-CA 3.25Å; L277-L312 WeakPolarHBondContact O-CA 3.44Å; L277-I313 PolarHBondContact O-N 3.37Å
278F97.9Very high86.5Confident1 Ų139.1 Ų39.10%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-98131.5169.7172.5-122000109.7T215 V218 V239 F240 S241 L242 D280 I313 A315T215-F278 HydrophobicContact CG2-CE1 4.27Å; V218-F278 HydrophobicContact CB-CD1 4.46Å; V218-F278 HydrophobicContact CB-CD2 4.42Å; V218-F278 HydrophobicContact CB-CG 4.36Å; V218-F278 HydrophobicContact CG1-CB 3.92Å; V218-F278 HydrophobicContact CG1-CD1 4.07Å; V218-F278 HydrophobicContact CG1-CD2 4.15Å; V218-F278 HydrophobicContact CG1-CG 3.77Å; V218-F278 HydrophobicContact CG2-CD1 4.44Å; V218-F278 HydrophobicContact CG2-CD2 3.66Å; V218-F278 HydrophobicContact CG2-CE1 4.4Å; V218-F278 HydrophobicContact CG2-CE2 3.63Å; V218-F278 HydrophobicContact CG2-CG 4.1Å; V218-F278 HydrophobicContact CG2-CZ 4.02Å; V239-F278 HydrophobicContact CG1-CB 4.45Å; F240-F278 PolarHBondContact O-N 3.27Å; S241-F278 WeakPolarHBondContact OG-CD1 3.43Å; L242-F278 WeakPolarHBondContact CB-O 3.21Å; L242-F278 PolarHBondContact N-O 3.35Å; F278-D280 HydrophobicContact CE1-CB 4.13Å; F278-D280 HydrophobicContact CZ-CB 3.86Å; F278-I313 WeakPolarHBondContact CA-O 3.49Å; F278-I313 HydrophobicContact CD2-CB 4.06Å; F278-I313 HydrophobicContact CD2-CG2 3.94Å; F278-I313 WeakPolarHBondContact CD2-O 3.23Å; F278-I313 HydrophobicContact CE2-CG2 4.49Å; F278-A315 HydrophobicContact CE2-CB 3.8Å; F278-A315 HydrophobicContact CZ-CB 4.08Å
279I95.4Very high84.5Confident0 Ų042 Ų420%022%0.222CC..EExtended strand (participates in β ladder)trans-128.4108.7175.8-53.3-170.4000107.5L242 L277 I282 I285 L312 I313 G314 A315L242-I279 HydrophobicContact CB-CG1 4.18Å; L242-I279 HydrophobicContact CD2-CD1 3.83Å; L242-I279 HydrophobicContact CD2-CG1 4.04Å; L277-I279 HydrophobicContact CD2-CD1 3.95Å; L277-I279 HydrophobicContact CD2-CG1 4.21Å; L277-I279 HydrophobicContact CG-CD1 4.4Å; L277-I279 HydrophobicContact CG-CG1 4.1Å; I279-I282 HydrophobicContact CB-CB 4.43Å; I279-I282 HydrophobicContact CB-CG1 4.43Å; I279-I282 HydrophobicContact CG2-CB 4.24Å; I279-I282 HydrophobicContact CG2-CG1 4.36Å; I279-I285 HydrophobicContact CD1-CD1 3.67Å; I279-I285 HydrophobicContact CG2-CD1 3.6Å; I279-I285 HydrophobicContact CG2-CG1 4.43Å; I279-L312 HydrophobicContact CD1-CD1 3.6Å; I279-L312 HydrophobicContact CD1-CG 4.42Å; I279-L312 HydrophobicContact CG1-CD1 4.11Å; I279-L312 HydrophobicContact CG1-CG 4.41Å; I279-I313 PolarHBondContact N-O 2.89Å; I279-G314 WeakPolarHBondContact O-CA 3.35Å; I279-A315 PolarHBondContact O-N 3.45Å
280D94.6Very high82.5Confident60 Ų6045.9 Ų45.932%0.32124%0.239SC..THydrogen-bonded Turntrans-72.5148.2166.5-154.32.2000110F278 I282 A315F278-D280 HydrophobicContact CE1-CB 4.13Å; F278-D280 HydrophobicContact CZ-CB 3.86Å; D280-I282 VanDerWaalsContact C-N 3.29Å; D280-I282 PolarHBondContact O-N 2.85Å; D280-A315 VanDerWaalsContact OD1-CB 3.26Å; D280-A315 WeakPolarHBondContact OD1-CB 3.35Å
281E90.8Very high80.5Confident103 Ų10345 Ų4548%0.48124%0.243SC..THydrogen-bonded Turntrans49.946.5-173.2-55.7-167.1138.700113.6H283 N284 A315E281-H283 PolarHBondContact O-N 3.35Å; E281-N284 VanDerWaalsContact CB-ND2 3.35Å; E281-N284 WeakPolarHBondContact CB-ND2 3.4Å; E281-N284 WeakPolarHBondContact O-CB 3.23Å; E281-N284 PolarHBondContact O-N 3.2Å; E281-N284 PolarHBondContact OE2-ND2 2.97Å; E281-A315 CarbonylContact C-O 3.6Å; E281-A315 VanDerWaalsContact CA-O 3.28Å; E281-A315 WeakPolarHBondContact CA-O 3.33Å; E281-A315 PolarHBondContact N-O 2.99Å
282I91.7Very high78.4Confident0 Ų054.7 Ų54.70%029%0.287CS..THydrogen-bonded Turntrans-51.6-27.2-174.6-169-177000113.6I279 D280 N284 I285 V286 L312 A315 T316 M325 F335I279-I282 HydrophobicContact CB-CB 4.43Å; I279-I282 HydrophobicContact CB-CG1 4.43Å; I279-I282 HydrophobicContact CG2-CB 4.24Å; I279-I282 HydrophobicContact CG2-CG1 4.36Å; D280-I282 VanDerWaalsContact C-N 3.29Å; D280-I282 PolarHBondContact O-N 2.85Å; I282-N284 PolarHBondContact O-N 3.27Å; I282-I285 PolarHBondContact O-N 2.79Å; I282-V286 HydrophobicContact CG1-CG1 4.29Å; I282-V286 WeakPolarHBondContact O-CG2 3.26Å; I282-V286 PolarHBondContact O-N 3.35Å; I282-L312 HydrophobicContact CD1-CD1 4.45Å; I282-L312 HydrophobicContact CD1-CD2 3.35Å; I282-L312 HydrophobicContact CG1-CD2 4.38Å; I282-A315 PolarHBondContact N-O 3.22Å; I282-T316 HydrophobicContact CG2-CG2 4.36Å; I282-M325 HydrophobicContact CD1-CE 4.14Å; I282-M325 HydrophobicContact CG2-CE 4.49Å; I282-M325 HydrophobicContact CG2-SD 3.8Å; I282-F335 HydrophobicContact CD1-CE1 4.09Å; I282-F335 HydrophobicContact CD1-CZ 3.89Å
283H88.1Confident76.8Confident21 Ų2149.7 Ų49.710%0.09727%0.271CS..Hα-helixtrans-57.3-28.5176.766.4-89.5000113.2E281 I285 V286 G287 T316 E320 Y324E281-H283 PolarHBondContact O-N 3.35Å; H283-I285 PolarHBondContact O-N 3.02Å; H283-V286 PolarHBondContact O-N 2.94Å; H283-G287 WeakPolarHBondContact O-CA 3.35Å; H283-G287 PolarHBondContact O-N 3.44Å; H283-T316 PolarHBondContact ND1-OG1 2.96Å; H283-T316 VanDerWaalsContact ND1-OG1 3.12Å; H283-E320 HydrophobicContact CB-CB 4.02Å; H283-E320 HydrophobicContact CB-CG 4.37Å; H283-E320 IonicContact CE1-OE1 2.75Å; H283-E320 IonicContact CE1-OE2 3.62Å; H283-E320 PolarHBondContact CE1-OE2 2.86Å; H283-E320 IonicContact CG-OE2 2.73Å; H283-E320 VanDerWaalsContact ND1-CD 3.26Å; H283-E320 IonicContact ND1-OE2 3.4Å; H283-E320 PolarHBondContact ND1-OE2 3.42Å; H283-E320 IonicContact NE2-OE1 3.09Å; H283-E320 IonicContact NE2-OE2 3.61Å; H283-Y324 HydrophobicContact CB-CD2 3.86Å; H283-Y324 HydrophobicContact CB-CG 4.46Å
284N84.5Confident75.3Confident60 Ų6050.4 Ų50.432%0.32127%0.273SS..Hα-helixtrans-60.7-27.8175.5-74-29.6000112.7E281 I282E281-N284 VanDerWaalsContact CB-ND2 3.35Å; E281-N284 WeakPolarHBondContact CB-ND2 3.4Å; E281-N284 WeakPolarHBondContact O-CB 3.23Å; E281-N284 PolarHBondContact O-N 3.2Å; E281-N284 PolarHBondContact OE2-ND2 2.97Å; I282-N284 PolarHBondContact O-N 3.27Å
285I80.9Confident73.9Confident1 Ų145.9 Ų45.91%0.00526%0.259CS..Hα-helixtrans-96-35.3-179.4-51.9-175.6000111.7L242 M244 L261 I279 I282 H283 A297 G298 L301L242-I285 HydrophobicContact CD2-CD1 4.18Å; M244-I285 HydrophobicContact CE-CD1 4.19Å; M244-I285 HydrophobicContact CE-CG1 3.92Å; M244-I285 HydrophobicContact SD-CD1 3.62Å; M244-I285 HydrophobicContact SD-CG1 4Å; L261-I285 HydrophobicContact CD2-CG2 4.36Å; I279-I285 HydrophobicContact CD1-CD1 3.67Å; I279-I285 HydrophobicContact CG2-CD1 3.6Å; I279-I285 HydrophobicContact CG2-CG1 4.43Å; I282-I285 PolarHBondContact O-N 2.79Å; H283-I285 PolarHBondContact O-N 3.02Å; I285-A297 HydrophobicContact CG2-CB 3.75Å; I285-A297 PolarHBondContact O-N 2.66Å; I285-G298 PolarHBondContact O-N 2.96Å; I285-L301 HydrophobicContact CB-CD1 4.46Å; I285-L301 HydrophobicContact CG2-CD1 3.66Å; I285-L301 HydrophobicContact CG2-CG 4.39Å
286V78.2Confident72.5Confident7 Ų747.5 Ų47.54%0.04227%0.268CS..Hα-helixtrans-99.2-22.1-171.3-59.50000115.1I282 H283 L301 M325 L331I282-V286 HydrophobicContact CG1-CG1 4.29Å; I282-V286 WeakPolarHBondContact O-CG2 3.26Å; I282-V286 PolarHBondContact O-N 3.35Å; H283-V286 PolarHBondContact O-N 2.94Å; V286-L301 HydrophobicContact CG1-CD1 4.12Å; V286-M325 HydrophobicContact CG2-CG 3.94Å; V286-L331 HydrophobicContact CB-CD1 3.7Å; V286-L331 HydrophobicContact CG1-CD1 4.1Å; V286-L331 HydrophobicContact CG1-CD2 4.48Å; V286-L331 HydrophobicContact CG2-CD1 4.08Å
287G65Low71.2Confident10 Ų1047.5 Ų47.510%0.10327%0.268CS..SBendtrans-101.7-3.8-168.800000115.8H283 G289 Y324H283-G287 WeakPolarHBondContact O-CA 3.35Å; H283-G287 PolarHBondContact O-N 3.44Å; G287-G289 PolarHBondContact O-N 3.05Å; G287-Y324 VanDerWaalsContact O-CD1 3.25Å; G287-Y324 WeakPolarHBondContact O-CD1 3.24Å; G287-Y324 WeakPolarHBondContact O-CE1 3.37Å
288A53.1Low70.2Confident9 Ų947.5 Ų47.57%0.07427%0.268CS..THydrogen-bonded Turntrans-71.412.1-166.200000116.5K290 S294 M295 D296A288-K290 VanDerWaalsContact C-N 3.28Å; A288-K290 PolarHBondContact O-N 3.39Å; A288-S294 VanDerWaalsContact CA-OG 3.31Å; A288-S294 WeakPolarHBondContact CA-OG 3.13Å; A288-S294 WeakPolarHBondContact CB-OG 3.28Å; A288-S294 PolarHBondContact O-OG 2.93Å; A288-M295 WeakPolarHBondContact CB-O 3.32Å; A288-D296 HydrophobicContact CB-CB 3.92Å; A288-D296 VanDerWaalsContact CB-N 3.32Å
289G48.5Very low69.4Low61 Ų6152.5 Ų52.563%0.62930%0.295SS*.THydrogen-bonded Turntrans-78.1-3-17900000115.4G287G287-G289 PolarHBondContact O-N 3.05Å
290K48Very low69Low168 Ų16854.2 Ų54.273%0.7330%0.304SS*.SBendtrans-117.1-17.1-170.4-69.7-163.7177-171.80116.4A288A288-K290 VanDerWaalsContact C-N 3.28Å; A288-K290 PolarHBondContact O-N 3.39Å
291T44.4Very low68.7Low92 Ų9251.4 Ų51.456%0.56429%0.289SS*.SBendtrans-104.5129.4178.225.30000109.9G293 S294T291-G293 VanDerWaalsContact C-N 3.31Å; T291-G293 PolarHBondContact O-N 2.93Å; T291-S294 PolarHBondContact O-N 3.35Å; T291-S294 PolarHBondContact O-OG 3.47Å; T291-S294 WeakPolarHBondContact OG1-CB 3.3Å; T291-S294 PolarHBondContact OG1-OG 3.29Å
292E42.5Very low68.6Low215 Ų21548.9 Ų48.9100%1.00528%0.276SS*.THydrogen-bonded Turntrans-60.693.2168.9-92.8-177.2152.100108.6
293G49.7Very low68.5Low43 Ų4351.4 Ų51.444%0.44329%0.293SS..THydrogen-bonded Turntrans149.2-33.7-172.700000114.2R254 T291R254-G293 PolarHBondContact NH2-O 2.87Å; T291-G293 VanDerWaalsContact C-N 3.31Å; T291-G293 PolarHBondContact O-N 2.93Å
294S53.3Low68.6Low30 Ų3051.2 Ų51.221%0.2129%0.292CS..  trans-86152.4-161.449.20000114.8A288 T291 D296A288-S294 VanDerWaalsContact CA-OG 3.31Å; A288-S294 WeakPolarHBondContact CA-OG 3.13Å; A288-S294 WeakPolarHBondContact CB-OG 3.28Å; A288-S294 PolarHBondContact O-OG 2.93Å; T291-S294 PolarHBondContact O-N 3.35Å; T291-S294 PolarHBondContact O-OG 3.47Å; T291-S294 WeakPolarHBondContact OG1-CB 3.3Å; T291-S294 PolarHBondContact OG1-OG 3.29Å; S294-D296 PolarHBondContact O-N 3.31Å
295M59.8Low68.9Low62 Ų6248.7 Ų48.731%0.30528%0.278SS..  trans-8879.2-170-62.7173.1-96.400111.9I248 F257 A288 A297I248-M295 HydrophobicContact CD1-CE 3.85Å; I248-M295 HydrophobicContact CD1-SD 4.19Å; I248-M295 HydrophobicContact CG1-SD 4.26Å; F257-M295 HydrophobicContact CD1-CB 4.48Å; F257-M295 HydrophobicContact CD1-CG 4.49Å; F257-M295 HydrophobicContact CD1-SD 4.29Å; F257-M295 HydrophobicContact CD2-SD 4.26Å; F257-M295 HydrophobicContact CE1-CB 4.04Å; F257-M295 HydrophobicContact CE1-CG 4.42Å; F257-M295 HydrophobicContact CE1-SD 4.17Å; F257-M295 HydrophobicContact CE2-SD 4.13Å; F257-M295 HydrophobicContact CG-SD 4.34Å; F257-M295 HydrophobicContact CZ-SD 4.09Å; A288-M295 WeakPolarHBondContact CB-O 3.32Å; M295-A297 PolarHBondContact O-N 3.47Å
296D62.4Low69.2Low54 Ų5451.2 Ų51.229%0.28930%0.3SS..  trans-77.472.6179.2-168.99000112.6A288 S294 G298A288-D296 HydrophobicContact CB-CB 3.92Å; A288-D296 VanDerWaalsContact CB-N 3.32Å; S294-D296 PolarHBondContact O-N 3.31Å; D296-G298 PolarHBondContact O-N 3.26Å; D296-G298 PolarHBondContact OD1-N 3.42Å; D296-G298 VanDerWaalsContact OD1-N 3.13Å
297A69.4Low69.7Low1 Ų157.8 Ų57.81%0.00832%0.324CS..THydrogen-bonded Turntrans-81.96.3168.800000112.6F257 L261 I285 M295 N299 L300 L301F257-A297 HydrophobicContact CE1-CB 4.14Å; L261-A297 HydrophobicContact CD2-CB 3.41Å; L261-A297 VanDerWaalsContact CD2-CB 3.41Å; I285-A297 HydrophobicContact CG2-CB 3.75Å; I285-A297 PolarHBondContact O-N 2.66Å; M295-A297 PolarHBondContact O-N 3.47Å; A297-N299 PolarHBondContact O-N 3.47Å; A297-N299 VanDerWaalsContact O-N 3.13Å; A297-L300 HydrophobicContact CB-CD1 4.11Å; A297-L300 WeakPolarHBondContact O-CB 3.5Å; A297-L300 PolarHBondContact O-N 3.02Å; A297-L301 PolarHBondContact O-N 3.04Å
298G76.3Confident70.6Confident0 Ų059.2 Ų59.20%034%0.339CS..Hα-helixtrans-56.8-30.3175.400000112.6I285 D296 L300 L301 K302I285-G298 PolarHBondContact O-N 2.96Å; D296-G298 PolarHBondContact O-N 3.26Å; D296-G298 PolarHBondContact OD1-N 3.42Å; D296-G298 VanDerWaalsContact OD1-N 3.13Å; G298-L300 PolarHBondContact O-N 3.3Å; G298-L301 PolarHBondContact O-N 2.85Å; G298-K302 WeakPolarHBondContact O-CB 3.47Å; G298-K302 WeakPolarHBondContact O-CG 3.46Å; G298-K302 PolarHBondContact O-N 2.93Å
299N81.6Confident72.3Confident105 Ų10561 Ų6156%0.56135%0.345SS*.Hα-helixtrans-65.7-22.3175.1-68.1-41.2000113.8A297 P303A297-N299 PolarHBondContact O-N 3.47Å; A297-N299 VanDerWaalsContact O-N 3.13Å; N299-P303 WeakPolarHBondContact O-CD 3.41Å; N299-P303 WeakPolarHBondContact O-CG 3.26Å
300L85.4Confident74.4Confident37 Ų3758.2 Ų58.219%0.19432%0.316CS..Hα-helixtrans-80.2-38.8174.6-56.4177.3000111.4E258 L261 K262 L265 A297 G298E258-L300 HydrophobicContact CB-CD1 4.5Å; E258-L300 HydrophobicContact CG-CD1 4.4Å; L261-L300 HydrophobicContact CD2-CD1 4.24Å; K262-L300 HydrophobicContact CD-CD2 4.27Å; K262-L300 HydrophobicContact CG-CD1 3.9Å; K262-L300 HydrophobicContact CG-CD2 4.03Å; L265-L300 HydrophobicContact CD1-CB 3.97Å; A297-L300 HydrophobicContact CB-CD1 4.11Å; A297-L300 WeakPolarHBondContact O-CB 3.5Å; A297-L300 PolarHBondContact O-N 3.02Å; G298-L300 PolarHBondContact O-N 3.3Å
301L88.9Confident76.5Confident0 Ų051.7 Ų51.70%029%0.288CS..Hα-helixtrans-75.7-43.9-177.9-59.2-179.4000112.5L265 I285 V286 A297 G298 M304 L305 L310L265-L301 HydrophobicContact CD1-CD2 3.76Å; L265-L301 HydrophobicContact CD2-CD2 3.67Å; L265-L301 HydrophobicContact CG-CD2 4.34Å; I285-L301 HydrophobicContact CB-CD1 4.46Å; I285-L301 HydrophobicContact CG2-CD1 3.66Å; I285-L301 HydrophobicContact CG2-CG 4.39Å; V286-L301 HydrophobicContact CG1-CD1 4.12Å; A297-L301 PolarHBondContact O-N 3.04Å; G298-L301 PolarHBondContact O-N 2.85Å; L301-M304 PolarHBondContact O-N 2.87Å; L301-M304 VanDerWaalsContact O-N 3.1Å; L301-L305 HydrophobicContact CB-CD1 4.18Å; L301-L305 WeakPolarHBondContact O-CG 3.2Å; L301-L305 PolarHBondContact O-N 2.88Å; L301-L310 HydrophobicContact CD2-CD2 3.71Å
302K89Confident78.9Confident50 Ų5047.3 Ų47.322%0.21726%0.261CS..Hα-helixtrans-53.6-47.2-172.7-73.9168.9-159.3-174.10113.6G298 M304 A306 D328 A330 L331G298-K302 WeakPolarHBondContact O-CB 3.47Å; G298-K302 WeakPolarHBondContact O-CG 3.46Å; G298-K302 PolarHBondContact O-N 2.93Å; K302-M304 PolarHBondContact O-N 3.49Å; K302-A306 VanDerWaalsContact O-CB 3.24Å; K302-A306 WeakPolarHBondContact O-CB 3.4Å; K302-A306 PolarHBondContact O-N 3.02Å; K302-D328 VanDerWaalsContact CE-OD2 3.27Å; K302-D328 WeakPolarHBondContact CE-OD2 3.48Å; K302-D328 IonicContact NZ-OD2 3.2Å; K302-D328 PolarHBondContact NZ-OD2 3.39Å; K302-A330 HydrophobicContact CD-CB 4.29Å; K302-A330 HydrophobicContact CG-CB 4.5Å; K302-L331 HydrophobicContact CG-CD2 3.91Å
303P89.6Confident81.5Confident53 Ų5337.1 Ų37.134%0.34421%0.213SC..Hα-helixtrans-64.2-38179-21.933.9000113.1N299 A306 R307N299-P303 WeakPolarHBondContact O-CD 3.41Å; N299-P303 WeakPolarHBondContact O-CG 3.26Å; P303-A306 PolarHBondContact O-N 3.42Å; P303-R307 WeakPolarHBondContact O-CG 3.45Å; P303-R307 PolarHBondContact O-N 3.42Å
304M90.9Very high83.7Confident17 Ų1735 Ų358%0.08419%0.192CC..Hα-helixtrans-71.8-43.5-179.6-62.5-176.963.500111.4L265 K269 L301 K302 A306 R307 G308 E309 L310L265-M304 HydrophobicContact CB-CE 4.19Å; L265-M304 HydrophobicContact CB-SD 3.85Å; L265-M304 HydrophobicContact CD1-SD 4.22Å; L265-M304 HydrophobicContact CD2-SD 4.44Å; L265-M304 HydrophobicContact CG-SD 4.4Å; L265-M304 WeakPolarHBondContact O-CE 3.3Å; K269-M304 HydrophobicContact CB-CE 3.78Å; K269-M304 HydrophobicContact CD-CE 4.41Å; K269-M304 HydrophobicContact CG-CE 4.48Å; L301-M304 PolarHBondContact O-N 2.87Å; L301-M304 VanDerWaalsContact O-N 3.1Å; K302-M304 PolarHBondContact O-N 3.49Å; M304-A306 PolarHBondContact O-N 3.49Å; M304-R307 PolarHBondContact O-N 2.91Å; M304-G308 PolarHBondContact O-N 3.19Å; M304-E309 HydrophobicContact CB-CB 4.29Å; M304-E309 HydrophobicContact CE-CB 4.4Å; M304-E309 PolarHBondContact O-N 3.2Å; M304-L310 HydrophobicContact CB-CB 3.8Å; M304-L310 HydrophobicContact CE-CB 4.37Å
305L90.5Very high85.8Confident7 Ų733.6 Ų33.64%0.03718%0.182CC..Hα-helixtrans-60.6-35.2170.7-67.4170.2000111.7L301 L310 L312 L331 R334 F335L301-L305 HydrophobicContact CB-CD1 4.18Å; L301-L305 WeakPolarHBondContact O-CG 3.2Å; L301-L305 PolarHBondContact O-N 2.88Å; L305-L310 HydrophobicContact CD2-CB 4.26Å; L305-L310 HydrophobicContact CD2-CD2 4.06Å; L305-L310 HydrophobicContact CD2-CG 4.14Å; L305-L310 HydrophobicContact CG-CD2 4.17Å; L305-L312 HydrophobicContact CD2-CB 4.32Å; L305-L331 HydrophobicContact CD1-CD2 4.31Å; L305-R334 HydrophobicContact CB-CG 4.32Å; L305-R334 WeakPolarHBondContact O-CD 3.34Å; L305-R334 PolarHBondContact O-NE 2.77Å; L305-F335 HydrophobicContact CD1-CE2 3.76Å; L305-F335 HydrophobicContact CD1-CZ 3.91Å; L305-F335 HydrophobicContact CD2-CZ 4.39Å
306A87.6Confident87.4Confident55 Ų5530.8 Ų30.846%0.45517%0.169SC..Hα-helixtrans-68.5-38.4177.700000113K302 P303 M304K302-A306 VanDerWaalsContact O-CB 3.24Å; K302-A306 WeakPolarHBondContact O-CB 3.4Å; K302-A306 PolarHBondContact O-N 3.02Å; P303-A306 PolarHBondContact O-N 3.42Å; M304-A306 PolarHBondContact O-N 3.49Å
307R87.5Confident88.9Confident145 Ų14529.1 Ų29.155%0.54716%0.16SC..Hα-helixtrans-83.8-10.3177.7-68.3-171.7-62.4-87.8-7.4113.8P303 M304 E309P303-R307 WeakPolarHBondContact O-CG 3.45Å; P303-R307 PolarHBondContact O-N 3.42Å; M304-R307 PolarHBondContact O-N 2.91Å; R307-E309 VanDerWaalsContact C-N 3.28Å; R307-E309 HydrophobicContact CB-CG 3.84Å; R307-E309 WeakPolarHBondContact CD-OE1 3.18Å; R307-E309 IonicContact CZ-OE1 3.81Å; R307-E309 IonicContact CZ-OE2 3.4Å; R307-E309 IonicContact NE-OE1 2.85Å; R307-E309 PolarHBondContact NE-OE1 3.05Å; R307-E309 IonicContact NE-OE2 3.09Å; R307-E309 PolarHBondContact NE-OE2 3.21Å; R307-E309 VanDerWaalsContact NE-OE2 3.09Å; R307-E309 IonicContact NH2-OE1 2.73Å; R307-E309 IonicContact NH2-OE2 2.65Å; R307-E309 PolarHBondContact NH2-OE2 3.13Å
308G85.1Confident89.8Confident40 Ų4031.7 Ų31.741%0.41217%0.174SC..THydrogen-bonded Turntrans74.419.7-174.300000113.2M304 L310M304-G308 PolarHBondContact O-N 3.19Å; G308-L310 VanDerWaalsContact C-N 3.29Å
309E88.6Confident90.4Very high47 Ų4736.7 Ų36.722%0.2220%0.2CC..  trans-80.5-13.6177.5-66.1172.9175.500112.2K269 M304 R307K269-E309 VanDerWaalsContact CE-CD 3.45Å; K269-E309 WeakPolarHBondContact CE-OE1 3.46Å; K269-E309 WeakPolarHBondContact CE-OE2 3.39Å; K269-E309 HydrophobicContact CG-CB 4.41Å; K269-E309 IonicContact NZ-OE1 2.9Å; K269-E309 PolarHBondContact NZ-OE1 3.12Å; K269-E309 IonicContact NZ-OE2 2.87Å; K269-E309 PolarHBondContact NZ-OE2 3.01Å; M304-E309 HydrophobicContact CB-CB 4.29Å; M304-E309 HydrophobicContact CE-CB 4.4Å; M304-E309 PolarHBondContact O-N 3.2Å; R307-E309 VanDerWaalsContact C-N 3.28Å; R307-E309 HydrophobicContact CB-CG 3.84Å; R307-E309 WeakPolarHBondContact CD-OE1 3.18Å; R307-E309 IonicContact CZ-OE1 3.81Å; R307-E309 IonicContact CZ-OE2 3.4Å; R307-E309 IonicContact NE-OE1 2.85Å; R307-E309 PolarHBondContact NE-OE1 3.05Å; R307-E309 IonicContact NE-OE2 3.09Å; R307-E309 PolarHBondContact NE-OE2 3.21Å; R307-E309 VanDerWaalsContact NE-OE2 3.09Å; R307-E309 IonicContact NH2-OE1 2.73Å; R307-E309 IonicContact NH2-OE2 2.65Å; R307-E309 PolarHBondContact NH2-OE2 3.13Å
310L91.3Very high90.8Very high2 Ų233.7 Ų33.71%0.0118%0.183CC..  trans-128127.4-179.3179.863.7000109.6L265 V268 L277 L301 M304 L305 G308 L312L265-L310 HydrophobicContact CD2-CD1 4.24Å; L265-L310 HydrophobicContact CD2-CD2 4.09Å; V268-L310 HydrophobicContact CG1-CD1 3.58Å; L277-L310 HydrophobicContact CB-CD1 4.22Å; L277-L310 HydrophobicContact CD2-CD1 4.18Å; L301-L310 HydrophobicContact CD2-CD2 3.71Å; M304-L310 HydrophobicContact CB-CB 3.8Å; M304-L310 HydrophobicContact CE-CB 4.37Å; L305-L310 HydrophobicContact CD2-CB 4.26Å; L305-L310 HydrophobicContact CD2-CD2 4.06Å; L305-L310 HydrophobicContact CD2-CG 4.14Å; L305-L310 HydrophobicContact CG-CD2 4.17Å; G308-L310 VanDerWaalsContact C-N 3.29Å; L310-L312 HydrophobicContact CD2-CD1 4.14Å; L310-L312 HydrophobicContact CG-CB 4.41Å
311H92.8Very high91Very high31 Ų3132.9 Ų32.914%0.14418%0.177CC..EExtended strand (participates in β ladder)trans-109.6120.9168.3-70-86.3000108.6N202 N203 L276 L277N202-H311 PolarHBondContact ND2-CE1 3.21Å; N202-H311 PolarHBondContact ND2-ND1 3.45Å; N203-H311 WeakPolarHBondContact OD1-CA 3.31Å; L276-H311 HydrophobicContact CD2-CB 3.56Å; L277-H311 PolarHBondContact N-O 3.48Å
312L94.3Very high90.9Very high0 Ų038.9 Ų38.90%020%0.2CC..EExtended strand (participates in β ladder)trans-128138-170.2-168.2151.3000111.5N203 P204 L277 I279 I282 L305 L310 F335N203-L312 VanDerWaalsContact CA-O 3.26Å; N203-L312 WeakPolarHBondContact CA-O 3.36Å; N203-L312 VanDerWaalsContact CB-O 3.27Å; N203-L312 WeakPolarHBondContact CB-O 3.5Å; N203-L312 PolarHBondContact OD1-N 2.88Å; P204-L312 WeakPolarHBondContact CD-O 3.32Å; L277-L312 CarbonylContact O-C 2.88Å; L277-L312 VanDerWaalsContact O-CA 3.25Å; L277-L312 WeakPolarHBondContact O-CA 3.44Å; I279-L312 HydrophobicContact CD1-CD1 3.6Å; I279-L312 HydrophobicContact CD1-CG 4.42Å; I279-L312 HydrophobicContact CG1-CD1 4.11Å; I279-L312 HydrophobicContact CG1-CG 4.41Å; I282-L312 HydrophobicContact CD1-CD1 4.45Å; I282-L312 HydrophobicContact CD1-CD2 3.35Å; I282-L312 HydrophobicContact CG1-CD2 4.38Å; L305-L312 HydrophobicContact CD2-CB 4.32Å; L310-L312 HydrophobicContact CD2-CD1 4.14Å; L310-L312 HydrophobicContact CG-CB 4.41Å; L312-F335 HydrophobicContact CB-CE1 4.38Å; L312-F335 HydrophobicContact CD2-CE1 3.58Å; L312-F335 HydrophobicContact CD2-CZ 3.88Å
313I97.8Very high90.7Very high0 Ų040.9 Ų40.90%021%0.21CC..EExtended strand (participates in β ladder)trans-108.5119.3166.1-51.6179.9000106.5V192 L196 P204 L206 V218 L221 L277 F278 I279V192-I313 HydrophobicContact CG1-CD1 4.25Å; L196-I313 HydrophobicContact CD1-CD1 4.16Å; L196-I313 HydrophobicContact CD2-CG1 4.28Å; P204-I313 HydrophobicContact CG-CB 4.34Å; P204-I313 HydrophobicContact CG-CG1 3.91Å; P204-I313 HydrophobicContact CG-CG2 4.17Å; P204-I313 WeakPolarHBondContact O-CA 3.37Å; L206-I313 HydrophobicContact CD1-CG2 4.46Å; L206-I313 HydrophobicContact CG-CG2 4.48Å; V218-I313 HydrophobicContact CG1-CD1 4.47Å; V218-I313 HydrophobicContact CG2-CG2 4.02Å; L221-I313 HydrophobicContact CD2-CD1 3.45Å; L221-I313 VanDerWaalsContact CD2-CD1 3.45Å; L277-I313 PolarHBondContact O-N 3.37Å; F278-I313 WeakPolarHBondContact CA-O 3.49Å; F278-I313 HydrophobicContact CD2-CB 4.06Å; F278-I313 HydrophobicContact CD2-CG2 3.94Å; F278-I313 WeakPolarHBondContact CD2-O 3.23Å; F278-I313 HydrophobicContact CE2-CG2 4.49Å; I279-I313 PolarHBondContact N-O 2.89Å
314G96Very high90.5Very high0 Ų041.1 Ų41.10%021%0.205CC..EExtended strand (participates in β ladder)trans-105.4147.7177.400000111.2P204 V205 L206 I279P204-G314 PolarHBondContact O-N 2.98Å; V205-G314 CarbonylContact C-O 3.49Å; V205-G314 VanDerWaalsContact CA-O 3.28Å; V205-G314 WeakPolarHBondContact CA-O 3.5Å; L206-G314 PolarHBondContact N-O 2.9Å; I279-G314 WeakPolarHBondContact O-CA 3.35Å
315A96.8Very high90.3Very high0 Ų040.4 Ų40.40%020%0.201CC..EExtended strand (participates in β ladder)trans-123.5140.9165.500000110.6L206 K214 F278 I279 D280 E281 I282L206-A315 HydrophobicContact CB-CB 4.26Å; L206-A315 WeakPolarHBondContact O-CA 3.45Å; K214-A315 HydrophobicContact CB-CB 4.07Å; K214-A315 HydrophobicContact CD-CB 3.98Å; F278-A315 HydrophobicContact CE2-CB 3.8Å; F278-A315 HydrophobicContact CZ-CB 4.08Å; I279-A315 PolarHBondContact O-N 3.45Å; D280-A315 VanDerWaalsContact OD1-CB 3.26Å; D280-A315 WeakPolarHBondContact OD1-CB 3.35Å; E281-A315 CarbonylContact C-O 3.6Å; E281-A315 VanDerWaalsContact CA-O 3.28Å; E281-A315 WeakPolarHBondContact CA-O 3.33Å; E281-A315 PolarHBondContact N-O 2.99Å; I282-A315 PolarHBondContact N-O 3.22Å
316T94.6Very high90.1Very high3 Ų344.8 Ų44.82%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-167.4168.8-178.1-1670000110.4V205 L206 I207 G208 I282 H283 E320 Y321V205-T316 HydrophobicContact CG1-CG2 3.83Å; L206-T316 PolarHBondContact O-N 2.77Å; L206-T316 VanDerWaalsContact O-N 3.09Å; I207-T316 WeakPolarHBondContact CA-O 3.48Å; G208-T316 PolarHBondContact N-O 3.43Å; I282-T316 HydrophobicContact CG2-CG2 4.36Å; H283-T316 PolarHBondContact ND1-OG1 2.96Å; H283-T316 VanDerWaalsContact ND1-OG1 3.12Å; T316-E320 WeakPolarHBondContact OG1-CB 3.33Å; T316-E320 PolarHBondContact OG1-OE2 3.2Å; T316-Y321 HydrophobicContact CG2-CD2 4.34Å
317T93.3Very high90Very high18 Ų1849.4 Ų49.411%0.1123%0.231CC..  trans-80.9165.4171.670.30000112.1P210 D319 E320 Y321P210-T317 HydrophobicContact CG-CG2 4.14Å; T317-D319 VanDerWaalsContact C-N 3.31Å; T317-D319 PolarHBondContact O-N 3.09Å; T317-E320 PolarHBondContact N-OE2 3.41Å; T317-E320 VanDerWaalsContact OG1-CG 3.3Å; T317-E320 WeakPolarHBondContact OG1-CG 3.37Å; T317-E320 PolarHBondContact OG1-N 3.46Å; T317-E320 PolarHBondContact OG1-OE1 3.36Å; T317-E320 PolarHBondContact OG1-OE2 3.21Å; T317-E320 VanDerWaalsContact OG1-OE2 3.1Å; T317-Y321 WeakPolarHBondContact O-CB 3.26Å; T317-Y321 PolarHBondContact O-N 2.95Å
318L88.9Confident89.9Confident56 Ų5644.4 Ų44.429%0.29322%0.215SC..Hα-helixtrans-63.1-39.1179.4-177.564.3000112.1I207 Y321 R322I207-L318 HydrophobicContact CG2-CB 3.93Å; I207-L318 HydrophobicContact CG2-CD1 3.82Å; L318-Y321 PolarHBondContact O-N 3.45Å; L318-R322 WeakPolarHBondContact O-CG 3.34Å; L318-R322 PolarHBondContact O-N 3.22Å
319D87.9Confident90Very high104 Ų10449 Ų4956%0.55622%0.224SC*.Hα-helixtrans-71.8-43.7-177.5-73.3-20.7000111.8T317 Y321 R322 Q323T317-D319 VanDerWaalsContact C-N 3.31Å; T317-D319 PolarHBondContact O-N 3.09Å; D319-Y321 VanDerWaalsContact C-N 3.34Å; D319-Y321 PolarHBondContact O-N 3.46Å; D319-R322 PolarHBondContact O-N 3.16Å; D319-R322 IonicContact OD1-NH1 2.66Å; D319-Q323 VanDerWaalsContact O-CB 3.29Å; D319-Q323 WeakPolarHBondContact O-CB 3.3Å; D319-Q323 PolarHBondContact O-N 3.11Å
320E89.5Confident89.8Confident43 Ų4348.8 Ų48.820%0.20123%0.23CC..Hα-helixtrans-60-44.4172.3-73.7149.9-152.700111.7H283 T316 T317 R322 Q323 Y324H283-E320 HydrophobicContact CB-CB 4.02Å; H283-E320 HydrophobicContact CB-CG 4.37Å; H283-E320 IonicContact CE1-OE1 2.75Å; H283-E320 IonicContact CE1-OE2 3.62Å; H283-E320 PolarHBondContact CE1-OE2 2.86Å; H283-E320 IonicContact CG-OE2 2.73Å; H283-E320 VanDerWaalsContact ND1-CD 3.26Å; H283-E320 IonicContact ND1-OE2 3.4Å; H283-E320 PolarHBondContact ND1-OE2 3.42Å; H283-E320 IonicContact NE2-OE1 3.09Å; H283-E320 IonicContact NE2-OE2 3.61Å; T316-E320 WeakPolarHBondContact OG1-CB 3.33Å; T316-E320 PolarHBondContact OG1-OE2 3.2Å; T317-E320 PolarHBondContact N-OE2 3.41Å; T317-E320 VanDerWaalsContact OG1-CG 3.3Å; T317-E320 WeakPolarHBondContact OG1-CG 3.37Å; T317-E320 PolarHBondContact OG1-N 3.46Å; T317-E320 PolarHBondContact OG1-OE1 3.36Å; T317-E320 PolarHBondContact OG1-OE2 3.21Å; T317-E320 VanDerWaalsContact OG1-OE2 3.1Å; E320-R322 VanDerWaalsContact C-N 3.34Å; E320-R322 PolarHBondContact O-N 3.22Å; E320-Q323 PolarHBondContact O-N 2.74Å; E320-Y324 HydrophobicContact CB-CD2 4.12Å; E320-Y324 HydrophobicContact CB-CE2 4.47Å; E320-Y324 HydrophobicContact CG-CD2 4.47Å; E320-Y324 HydrophobicContact CG-CE2 4.37Å; E320-Y324 WeakPolarHBondContact O-CB 3.42Å; E320-Y324 VanDerWaalsContact O-CD2 3.24Å; E320-Y324 WeakPolarHBondContact O-CD2 3.41Å; E320-Y324 PolarHBondContact O-N 2.69Å
321Y90.6Very high89.7Confident20 Ų2048.8 Ų48.88%0.07823%0.23CC..Iπ-helixtrans-58.3-47.8176.9-179-90.6000111.2V205 I207 T316 T317 L318 D319 Q323 M325 E326V205-Y321 HydrophobicContact CB-CE2 4.4Å; V205-Y321 HydrophobicContact CG1-CD2 4.04Å; V205-Y321 HydrophobicContact CG1-CE2 4.3Å; I207-Y321 HydrophobicContact CD1-CD1 3.72Å; I207-Y321 HydrophobicContact CD1-CD2 3.55Å; I207-Y321 HydrophobicContact CD1-CE1 4.04Å; I207-Y321 HydrophobicContact CD1-CE2 3.86Å; I207-Y321 HydrophobicContact CD1-CG 3.47Å; I207-Y321 VanDerWaalsContact CD1-CG 3.47Å; I207-Y321 HydrophobicContact CG1-CD2 4.11Å; I207-Y321 HydrophobicContact CG1-CG 4.22Å; T316-Y321 HydrophobicContact CG2-CD2 4.34Å; T317-Y321 WeakPolarHBondContact O-CB 3.26Å; T317-Y321 PolarHBondContact O-N 2.95Å; L318-Y321 PolarHBondContact O-N 3.45Å; D319-Y321 VanDerWaalsContact C-N 3.34Å; D319-Y321 PolarHBondContact O-N 3.46Å; Y321-Q323 VanDerWaalsContact C-N 3.32Å; Y321-Q323 PolarHBondContact O-N 3.05Å; Y321-M325 HydrophobicContact CD2-CB 3.73Å; Y321-M325 HydrophobicContact CD2-CG 4.18Å; Y321-M325 HydrophobicContact CD2-SD 3.73Å; Y321-M325 HydrophobicContact CE2-CB 3.84Å; Y321-M325 HydrophobicContact CE2-SD 4.09Å; Y321-M325 HydrophobicContact CG-CB 4.28Å; Y321-M325 CarbonylContact O-C 3.49Å; Y321-M325 WeakPolarHBondContact O-CA 3.28Å; Y321-M325 WeakPolarHBondContact O-CB 3.44Å; Y321-M325 PolarHBondContact O-N 3.46Å; Y321-E326 HydrophobicContact CD1-CB 4.17Å; Y321-E326 HydrophobicContact CE1-CB 3.88Å; Y321-E326 HydrophobicContact CE1-CG 4.37Å; Y321-E326 PolarHBondContact O-N 3.04Å
322R87.3Confident89.4Confident125 Ų12550.9 Ų50.947%0.47224%0.24SC..Iπ-helixtrans-61.1-40.6176.8-77.4170.7172.1173.20.7112.2L318 D319 E320 E326L318-R322 WeakPolarHBondContact O-CG 3.34Å; L318-R322 PolarHBondContact O-N 3.22Å; D319-R322 PolarHBondContact O-N 3.16Å; D319-R322 IonicContact OD1-NH1 2.66Å; E320-R322 VanDerWaalsContact C-N 3.34Å; E320-R322 PolarHBondContact O-N 3.22Å; R322-E326 WeakPolarHBondContact CG-OE2 3.49Å
323Q84.4Confident89.1Confident93 Ų9357.5 Ų57.544%0.43527%0.265SS..Iπ-helixtrans-74.6-41.8-175.2-177.9165.8-18.700112.7D319 E320 Y321D319-Q323 VanDerWaalsContact O-CB 3.29Å; D319-Q323 WeakPolarHBondContact O-CB 3.3Å; D319-Q323 PolarHBondContact O-N 3.11Å; E320-Q323 PolarHBondContact O-N 2.74Å; Y321-Q323 VanDerWaalsContact C-N 3.32Å; Y321-Q323 PolarHBondContact O-N 3.05Å
324Y84.4Confident88.8Confident58 Ų5861.3 Ų61.323%0.22728%0.279CS..Iπ-helixtrans-113.1-31.5-166-58.7-63.5000114.3H283 G287 E320H283-Y324 HydrophobicContact CB-CD2 3.86Å; H283-Y324 HydrophobicContact CB-CG 4.46Å; G287-Y324 VanDerWaalsContact O-CD1 3.25Å; G287-Y324 WeakPolarHBondContact O-CD1 3.24Å; G287-Y324 WeakPolarHBondContact O-CE1 3.37Å; E320-Y324 HydrophobicContact CB-CD2 4.12Å; E320-Y324 HydrophobicContact CB-CE2 4.47Å; E320-Y324 HydrophobicContact CG-CD2 4.47Å; E320-Y324 HydrophobicContact CG-CE2 4.37Å; E320-Y324 WeakPolarHBondContact O-CB 3.42Å; E320-Y324 VanDerWaalsContact O-CD2 3.24Å; E320-Y324 WeakPolarHBondContact O-CD2 3.41Å; E320-Y324 PolarHBondContact O-N 2.69Å
325M86.7Confident88.7Confident1 Ų161.4 Ų61.41%0.00528%0.28CS..Iπ-helixtrans-103.6-47-175-61.4-16876.300113V205 I282 V286 Y321 K327 D328 F335V205-M325 HydrophobicContact CG1-SD 4.24Å; V205-M325 HydrophobicContact CG2-CE 3.89Å; V205-M325 HydrophobicContact CG2-SD 4.41Å; I282-M325 HydrophobicContact CD1-CE 4.14Å; I282-M325 HydrophobicContact CG2-CE 4.49Å; I282-M325 HydrophobicContact CG2-SD 3.8Å; V286-M325 HydrophobicContact CG2-CG 3.94Å; Y321-M325 HydrophobicContact CD2-CB 3.73Å; Y321-M325 HydrophobicContact CD2-CG 4.18Å; Y321-M325 HydrophobicContact CD2-SD 3.73Å; Y321-M325 HydrophobicContact CE2-CB 3.84Å; Y321-M325 HydrophobicContact CE2-SD 4.09Å; Y321-M325 HydrophobicContact CG-CB 4.28Å; Y321-M325 CarbonylContact O-C 3.49Å; Y321-M325 WeakPolarHBondContact O-CA 3.28Å; Y321-M325 WeakPolarHBondContact O-CB 3.44Å; Y321-M325 PolarHBondContact O-N 3.46Å; M325-K327 VanDerWaalsContact C-N 3.28Å; M325-K327 PolarHBondContact O-N 3.39Å; M325-D328 PolarHBondContact O-N 2.81Å; M325-D328 VanDerWaalsContact O-N 3.12Å; M325-F335 HydrophobicContact CE-CB 4.41Å; M325-F335 HydrophobicContact CE-CD1 4.25Å; M325-F335 HydrophobicContact CE-CD2 3.58Å; M325-F335 HydrophobicContact CE-CE1 4.44Å; M325-F335 HydrophobicContact CE-CE2 3.84Å; M325-F335 HydrophobicContact CE-CG 3.81Å; M325-F335 HydrophobicContact CE-CZ 4.26Å
326E86Confident88.7Confident99 Ų9964 Ų6446%0.46329%0.292SS..THydrogen-bonded Turntrans-65-32.2-175.7-169.9170-16300112.5Y321 R322Y321-E326 HydrophobicContact CD1-CB 4.17Å; Y321-E326 HydrophobicContact CE1-CB 3.88Å; Y321-E326 HydrophobicContact CE1-CG 4.37Å; Y321-E326 PolarHBondContact O-N 3.04Å; R322-E326 WeakPolarHBondContact CG-OE2 3.49Å
327K85.4Confident88.7Confident152 Ų15269.4 Ų69.466%0.66132%0.315SS*.THydrogen-bonded Turntrans-75-23.7176.4-68.1178.3-174.4171.40113.1M325 K329M325-K327 VanDerWaalsContact C-N 3.28Å; M325-K327 PolarHBondContact O-N 3.39Å; K327-K329 PolarHBondContact O-N 2.9Å
328D86.8Confident88.9Confident41 Ų4168.8 Ų68.822%0.21931%0.312CS..  trans-90.3101.3180-170.5-23.1000111.2K302 M325 A330 L331 E332K302-D328 VanDerWaalsContact CE-OD2 3.27Å; K302-D328 WeakPolarHBondContact CE-OD2 3.48Å; K302-D328 IonicContact NZ-OD2 3.2Å; K302-D328 PolarHBondContact NZ-OD2 3.39Å; M325-D328 PolarHBondContact O-N 2.81Å; M325-D328 VanDerWaalsContact O-N 3.12Å; D328-A330 PolarHBondContact O-N 3.38Å; D328-A330 WeakPolarHBondContact OD1-CA 3.34Å; D328-A330 VanDerWaalsContact OD1-CB 3.23Å; D328-A330 WeakPolarHBondContact OD1-CB 3.48Å; D328-A330 PolarHBondContact OD1-N 3.17Å; D328-L331 HydrophobicContact CB-CB 4.35Å; D328-L331 HydrophobicContact CB-CD1 4.05Å; D328-L331 HydrophobicContact CB-CG 4.22Å; D328-L331 PolarHBondContact O-N 3.3Å; D328-E332 WeakPolarHBondContact O-CB 3.44Å; D328-E332 PolarHBondContact O-N 2.73Å
329K86.3Confident89.3Confident136 Ų13670.8 Ų70.859%0.59132%0.322SS*.Hα-helixtrans-57.9-20.1177.9-67.8-174177.1177.90114.5K327 R333K327-K329 PolarHBondContact O-N 2.9Å; K329-R333 VanDerWaalsContact O-CG 3.28Å; K329-R333 WeakPolarHBondContact O-CG 3.29Å; K329-R333 PolarHBondContact O-NH1 3.48Å
330A85.7Confident89.7Confident43 Ų4366.2 Ų66.236%0.35530%0.298SS..Hα-helixtrans-74-43.5175.200000110.7K302 D328 R334K302-A330 HydrophobicContact CD-CB 4.29Å; K302-A330 HydrophobicContact CG-CB 4.5Å; D328-A330 PolarHBondContact O-N 3.38Å; D328-A330 WeakPolarHBondContact OD1-CA 3.34Å; D328-A330 VanDerWaalsContact OD1-CB 3.23Å; D328-A330 WeakPolarHBondContact OD1-CB 3.48Å; D328-A330 PolarHBondContact OD1-N 3.17Å; A330-R334 WeakPolarHBondContact O-CG 3.36Å
331L88.4Confident89.8Confident1 Ų171.5 Ų71.51%0.00532%0.32CS..Hα-helixtrans-77.3-45.2179.8-59.1174.9000111.4V286 K302 L305 D328 R333 R334 F335V286-L331 HydrophobicContact CB-CD1 3.7Å; V286-L331 HydrophobicContact CG1-CD1 4.1Å; V286-L331 HydrophobicContact CG1-CD2 4.48Å; V286-L331 HydrophobicContact CG2-CD1 4.08Å; K302-L331 HydrophobicContact CG-CD2 3.91Å; L305-L331 HydrophobicContact CD1-CD2 4.31Å; D328-L331 HydrophobicContact CB-CB 4.35Å; D328-L331 HydrophobicContact CB-CD1 4.05Å; D328-L331 HydrophobicContact CB-CG 4.22Å; D328-L331 PolarHBondContact O-N 3.3Å; L331-R333 PolarHBondContact O-N 3Å; L331-R334 WeakPolarHBondContact O-CA 3.43Å; L331-R334 PolarHBondContact O-N 3.13Å; L331-F335 HydrophobicContact CB-CD2 4.11Å; L331-F335 HydrophobicContact CB-CE2 4.39Å; L331-F335 HydrophobicContact CD2-CE2 3.99Å; L331-F335 WeakPolarHBondContact O-CD2 3.36Å; L331-F335 PolarHBondContact O-N 3.28Å
332E87Confident90Very high75 Ų7574 Ų7435%0.3533%0.332SS..Hα-helixtrans-54.7-30.8-179.3-165.6-145.5159.500113.1K201 D328 R334K201-E332 WeakPolarHBondContact CE-O 3.45Å; K201-E332 PolarHBondContact NZ-O 3.19Å; K201-E332 VanDerWaalsContact NZ-O 3.09Å; D328-E332 WeakPolarHBondContact O-CB 3.44Å; D328-E332 PolarHBondContact O-N 2.73Å; E332-R334 VanDerWaalsContact C-N 3.35Å
333R88.2Confident90.3Very high139 Ų13968.7 Ų68.753%0.52531%0.314SS..THydrogen-bonded Turntrans-82.1-7.8177.4-67.9-174.3-164.7115.2-13.4114.3K201 K329 L331K201-R333 WeakPolarHBondContact CG-O 3.45Å; K329-R333 VanDerWaalsContact O-CG 3.28Å; K329-R333 WeakPolarHBondContact O-CG 3.29Å; K329-R333 PolarHBondContact O-NH1 3.48Å; L331-R333 PolarHBondContact O-N 3Å
334R90.9Very high90.6Very high80 Ų8067.8 Ų67.830%0.30232%0.315SS..THydrogen-bonded Turntrans-113.3-27.8-176.8-65-62.1-179-78.9-2.2112.9K201 N203 L305 A330 L331 E332K201-R334 WeakPolarHBondContact CA-O 3.49Å; N203-R334 PolarHBondContact N-O 3.42Å; N203-R334 PolarHBondContact ND2-O 3.43Å; N203-R334 VanDerWaalsContact ND2-O 3.09Å; L305-R334 HydrophobicContact CB-CG 4.32Å; L305-R334 WeakPolarHBondContact O-CD 3.34Å; L305-R334 PolarHBondContact O-NE 2.77Å; A330-R334 WeakPolarHBondContact O-CG 3.36Å; L331-R334 WeakPolarHBondContact O-CA 3.43Å; L331-R334 PolarHBondContact O-N 3.13Å; E332-R334 VanDerWaalsContact C-N 3.35Å
335F94.7Very high90.8Very high3 Ų366.9 Ų66.91%0.01332%0.315CS..EExtended strand (participates in β ladder)trans-97.6151.1-179.7-72.7-76.7000112.8N203 V205 I282 L305 L312 M325 L331N203-F335 HydrophobicContact CB-CD1 3.4Å; N203-F335 VanDerWaalsContact CB-CD1 3.4Å; N203-F335 HydrophobicContact CB-CE1 3.48Å; N203-F335 VanDerWaalsContact CB-CE1 3.48Å; N203-F335 HydrophobicContact CB-CG 4.21Å; N203-F335 HydrophobicContact CB-CZ 4.29Å; N203-F335 CarbonylContact O-C 3.4Å; N203-F335 WeakPolarHBondContact O-CA 3.4Å; N203-F335 WeakPolarHBondContact O-CD1 3.5Å; V205-F335 HydrophobicContact CG2-CB 3.63Å; V205-F335 HydrophobicContact CG2-CD1 3.17Å; V205-F335 HydrophobicContact CG2-CE1 3.98Å; V205-F335 HydrophobicContact CG2-CG 3.58Å; I282-F335 HydrophobicContact CD1-CE1 4.09Å; I282-F335 HydrophobicContact CD1-CZ 3.89Å; L305-F335 HydrophobicContact CD1-CE2 3.76Å; L305-F335 HydrophobicContact CD1-CZ 3.91Å; L305-F335 HydrophobicContact CD2-CZ 4.39Å; L312-F335 HydrophobicContact CB-CE1 4.38Å; L312-F335 HydrophobicContact CD2-CE1 3.58Å; L312-F335 HydrophobicContact CD2-CZ 3.88Å; M325-F335 HydrophobicContact CE-CB 4.41Å; M325-F335 HydrophobicContact CE-CD1 4.25Å; M325-F335 HydrophobicContact CE-CD2 3.58Å; M325-F335 HydrophobicContact CE-CE1 4.44Å; M325-F335 HydrophobicContact CE-CE2 3.84Å; M325-F335 HydrophobicContact CE-CG 3.81Å; M325-F335 HydrophobicContact CE-CZ 4.26Å; L331-F335 HydrophobicContact CB-CD2 4.11Å; L331-F335 HydrophobicContact CB-CE2 4.39Å; L331-F335 HydrophobicContact CD2-CE2 3.99Å; L331-F335 WeakPolarHBondContact O-CD2 3.36Å; L331-F335 PolarHBondContact O-N 3.28Å
336Q95.4Very high91.1Very high55 Ų5574.1 Ų74.126%0.25735%0.349SS..EExtended strand (participates in β ladder)trans-127.5124.9172.1179.363.957.900108.9I195 K201 N203 P204 V205I195-Q336 HydrophobicContact CD1-CB 4.03Å; I195-Q336 HydrophobicContact CD1-CG 3.55Å; I195-Q336 HydrophobicContact CG1-CB 4.23Å; I195-Q336 HydrophobicContact CG1-CG 3.79Å; I195-Q336 HydrophobicContact CG2-CB 3.86Å; I195-Q336 HydrophobicContact CG2-CG 4.37Å; K201-Q336 HydrophobicContact CB-CB 4.42Å; N203-Q336 PolarHBondContact O-N 3.32Å; P204-Q336 CarbonylContact C-O 3.42Å; P204-Q336 WeakPolarHBondContact CA-O 3.32Å; V205-Q336 PolarHBondContact N-O 2.79Å
337K95.5Very high91.4Very high116 Ų11673 Ų7350%0.50435%0.347SS..EExtended strand (participates in β ladder)trans-68.5142.3178.664.8179.2-175.6179.10112.5V205 I207V205-K337 CarbonylContact O-C 3.49Å; I207-K337 HydrophobicContact CD1-CB 3.6Å; I207-K337 HydrophobicContact CG1-CB 4.48Å
338V97.5Very high91.9Very high5 Ų565.8 Ų65.83%0.0332%0.315CS..EExtended strand (participates in β ladder)trans-126.2115.3165.31800000105.8E188 D191 V192 I195 P204 V205 L206 I207E188-V338 HydrophobicContact CB-CG1 4.35Å; E188-V338 HydrophobicContact CG-CG1 4.49Å; D191-V338 HydrophobicContact CB-CG1 4.42Å; V192-V338 HydrophobicContact CG2-CG2 4.35Å; I195-V338 HydrophobicContact CD1-CG2 3.32Å; P204-V338 HydrophobicContact CB-CG2 4.22Å; V205-V338 PolarHBondContact O-N 3.29Å; L206-V338 HydrophobicContact CD2-CB 3.95Å; L206-V338 HydrophobicContact CD2-CG1 3.98Å; I207-V338 PolarHBondContact N-O 3.02Å
339L96.2Very high92.4Very high98 Ų9864.8 Ų64.851%0.51331%0.309SS..EExtended strand (participates in β ladder)trans-81.7120.7179.8-67172.7000108.6I207I207-L339 HydrophobicContact CB-CD2 4.23Å; I207-L339 HydrophobicContact CG2-CD2 4.3Å; I207-L339 WeakPolarHBondContact O-CA 3.45Å
340V96.6Very high92.8Very high7 Ų760.7 Ų60.74%0.04230%0.298CS..  trans-101.8110.1175.8-172.80000107.3L206 I207 G208 V212 K214 I217L206-V340 HydrophobicContact CB-CG2 4.02Å; L206-V340 HydrophobicContact CD2-CG2 4.12Å; I207-V340 PolarHBondContact O-N 2.95Å; G208-V340 WeakPolarHBondContact CA-O 3.35Å; V212-V340 HydrophobicContact CB-CG1 4.5Å; V212-V340 HydrophobicContact CG2-CB 4.21Å; V212-V340 HydrophobicContact CG2-CG1 3.65Å; K214-V340 HydrophobicContact CG-CB 4.44Å; K214-V340 HydrophobicContact CG-CG2 4.37Å; I217-V340 HydrophobicContact CD1-CB 4.23Å; I217-V340 HydrophobicContact CD1-CG1 3.64Å; I217-V340 HydrophobicContact CD1-CG2 3.49Å; I217-V340 VanDerWaalsContact CD1-CG2 3.49Å
341K93Very high93.3Very high155 Ų15559.6 Ų59.667%0.67429%0.286SS*.PPolyproline II helixtrans-85.7150.9178.8-63.5-179.6-177.9176.40110.2R185R185-K341 PolarHBondContact NH1-O 2.86Å; R185-K341 PolarHBondContact NH2-O 3.18Å
342E93.1Very high93.7Very high72 Ų7259.6 Ų59.634%0.33629%0.286SS..PPolyproline II helixtrans-53.3131.8162.2-172.7174.5-161.700109.3V212 F387 L388V212-E342 HydrophobicContact CG1-CB 4.32Å; E342-F387 HydrophobicContact CG-CB 4.32Å; E342-F387 VanDerWaalsContact OE1-CA 3.3Å; E342-F387 WeakPolarHBondContact OE1-CA 3.12Å; E342-F387 WeakPolarHBondContact OE2-CD1 3.4Å; E342-L388 HydrophobicContact CG-CB 3.87Å; E342-L388 PolarHBondContact OE1-N 3.08Å
343P93.7Very high94.1Very high13 Ų1361.8 Ų61.88%0.08429%0.291CS..PPolyproline II helixtrans-68.5158.2176.631.8-32.9000110.6D347 I351 L388 P389P343-D347 HydrophobicContact CB-CB 3.86Å; P343-I351 HydrophobicContact CB-CD1 4.38Å; P343-I351 HydrophobicContact CG-CD1 4.4Å; P343-L388 WeakPolarHBondContact CD-O 3.49Å; P343-L388 HydrophobicContact CG-CB 3.88Å; P343-P389 HydrophobicContact CG-CB 4.32Å; P343-P389 HydrophobicContact CG-CG 4.41Å
344T91.1Very high94.3Very high74 Ų7456.6 Ų56.645%0.45428%0.281SS..PPolyproline II helixtrans-71167173670000111E346 D347 T348T344-E346 VanDerWaalsContact C-N 3.26Å; T344-E346 PolarHBondContact O-N 2.71Å; T344-D347 WeakPolarHBondContact CB-OD2 3.37Å; T344-D347 PolarHBondContact N-OD2 3.45Å; T344-D347 PolarHBondContact O-N 3.06Å; T344-D347 PolarHBondContact OG1-N 3.48Å; T344-D347 VanDerWaalsContact OG1-N 3.12Å; T344-D347 PolarHBondContact OG1-OD2 3.05Å; T344-T348 WeakPolarHBondContact O-CB 3.33Å; T344-T348 PolarHBondContact O-N 3.2Å; T344-T348 PolarHBondContact O-OG1 3.4Å
345V88.2Confident94.3Very high39 Ų3953.3 Ų53.324%0.23627%0.269CS..Hα-helixtrans-57.2-41.8172176.70000110.7T348 I349 A376 D380 L388V345-T348 PolarHBondContact O-N 3.18Å; V345-I349 HydrophobicContact CG1-CD1 4.12Å; V345-I349 VanDerWaalsContact O-CG1 3.29Å; V345-I349 WeakPolarHBondContact O-CG1 3.21Å; V345-I349 PolarHBondContact O-N 3.38Å; V345-A376 HydrophobicContact CG1-CB 3.91Å; V345-D380 HydrophobicContact CG2-CB 3.93Å; V345-L388 HydrophobicContact CG2-CD1 4.22Å
346E92.8Very high94.3Very high154 Ų15455.8 Ų55.872%0.7228%0.28SS*.Hα-helixtrans-65-43178-65.8-175.5174.800112.6T344 T348 I349 S350T344-E346 VanDerWaalsContact C-N 3.26Å; T344-E346 PolarHBondContact O-N 2.71Å; E346-T348 VanDerWaalsContact C-N 3.29Å; E346-T348 PolarHBondContact O-N 3.28Å; E346-I349 PolarHBondContact O-N 3.4Å; E346-S350 PolarHBondContact O-N 3.49Å; E346-S350 VanDerWaalsContact O-N 3.11Å; E346-S350 PolarHBondContact O-OG 2.83Å; E346-S350 VanDerWaalsContact O-OG 3.05Å
347D93.9Very high94Very high76 Ų7656.1 Ų56.141%0.40628%0.282SS..Hα-helixtrans-62.7-41174.4-64.1-40.8000110.5P343 T344 S350 I351P343-D347 HydrophobicContact CB-CB 3.86Å; T344-D347 WeakPolarHBondContact CB-OD2 3.37Å; T344-D347 PolarHBondContact N-OD2 3.45Å; T344-D347 PolarHBondContact O-N 3.06Å; T344-D347 PolarHBondContact OG1-N 3.48Å; T344-D347 VanDerWaalsContact OG1-N 3.12Å; T344-D347 PolarHBondContact OG1-OD2 3.05Å; D347-S350 WeakPolarHBondContact O-CA 3.26Å; D347-S350 WeakPolarHBondContact O-CB 3.43Å; D347-S350 PolarHBondContact O-N 3.09Å; D347-S350 VanDerWaalsContact O-N 3.11Å; D347-I351 WeakPolarHBondContact O-CG1 3.29Å; D347-I351 PolarHBondContact O-N 3.17Å
348T95.8Very high93.7Very high0 Ų054 Ų540%027%0.271CS..Hα-helixtrans-64.6-41.4178.5-56.80000111.9T344 V345 E346 S350 I351 L352 A376 L388 P389 A392T344-T348 WeakPolarHBondContact O-CB 3.33Å; T344-T348 PolarHBondContact O-N 3.2Å; T344-T348 PolarHBondContact O-OG1 3.4Å; V345-T348 PolarHBondContact O-N 3.18Å; E346-T348 VanDerWaalsContact C-N 3.29Å; E346-T348 PolarHBondContact O-N 3.28Å; T348-S350 PolarHBondContact O-N 3.31Å; T348-I351 WeakPolarHBondContact O-CB 3.39Å; T348-I351 PolarHBondContact O-N 3.27Å; T348-L352 HydrophobicContact CG2-CD1 4.27Å; T348-L352 HydrophobicContact CG2-CG 4.31Å; T348-L352 WeakPolarHBondContact O-CB 3.12Å; T348-L352 VanDerWaalsContact O-CG 3.32Å; T348-L352 WeakPolarHBondContact O-CG 3.25Å; T348-L352 PolarHBondContact O-N 2.96Å; T348-A376 HydrophobicContact CG2-CB 4.03Å; T348-L388 HydrophobicContact CG2-CD2 4.14Å; T348-P389 HydrophobicContact CG2-CB 3.75Å; T348-A392 HydrophobicContact CG2-CB 3.76Å
349I95.9Very high93.5Very high19 Ų1955.3 Ų55.310%0.09728%0.276CS..Hα-helixtrans-58.8-40.8173-67.8163.3000110.2V345 E346 L352 R353 V373 A376V345-I349 HydrophobicContact CG1-CD1 4.12Å; V345-I349 VanDerWaalsContact O-CG1 3.29Å; V345-I349 WeakPolarHBondContact O-CG1 3.21Å; V345-I349 PolarHBondContact O-N 3.38Å; E346-I349 PolarHBondContact O-N 3.4Å; I349-L352 PolarHBondContact O-N 3.41Å; I349-R353 HydrophobicContact CG2-CG 4.45Å; I349-R353 WeakPolarHBondContact O-CB 3.16Å; I349-R353 VanDerWaalsContact O-CG 3.25Å; I349-R353 WeakPolarHBondContact O-CG 3.5Å; I349-R353 PolarHBondContact O-N 3.38Å; I349-V373 HydrophobicContact CD1-CB 4.39Å; I349-V373 HydrophobicContact CD1-CG1 4.21Å; I349-V373 HydrophobicContact CD1-CG2 4.15Å; I349-V373 HydrophobicContact CG1-CG2 4.5Å; I349-V373 HydrophobicContact CG2-CG2 4.26Å; I349-A376 HydrophobicContact CD1-CB 4.42Å; I349-A376 HydrophobicContact CG1-CB 3.65Å
350S95.7Very high93.2Very high50 Ų5051.2 Ų51.235%0.3525%0.254SS..Hα-helixtrans-65.2-41.2177.4-560000111.8E346 D347 T348 R353 G354E346-S350 PolarHBondContact O-N 3.49Å; E346-S350 VanDerWaalsContact O-N 3.11Å; E346-S350 PolarHBondContact O-OG 2.83Å; E346-S350 VanDerWaalsContact O-OG 3.05Å; D347-S350 WeakPolarHBondContact O-CA 3.26Å; D347-S350 WeakPolarHBondContact O-CB 3.43Å; D347-S350 PolarHBondContact O-N 3.09Å; D347-S350 VanDerWaalsContact O-N 3.11Å; T348-S350 PolarHBondContact O-N 3.31Å; S350-R353 PolarHBondContact O-N 2.88Å; S350-G354 PolarHBondContact O-N 2.83Å
351I95.8Very high92.8Very high20 Ų2052.7 Ų52.710%0.10326%0.261CS..Hα-helixtrans-59.6-53173.6-67.9164.2000110.4I183 P343 D347 T348 R353 G354 L355 P389 I393I183-I351 HydrophobicContact CB-CG1 3.92Å; I183-I351 WeakPolarHBondContact CD1-O 3.29Å; I183-I351 HydrophobicContact CG2-CG1 4.13Å; I183-I351 WeakPolarHBondContact O-CG1 3.4Å; P343-I351 HydrophobicContact CB-CD1 4.38Å; P343-I351 HydrophobicContact CG-CD1 4.4Å; D347-I351 WeakPolarHBondContact O-CG1 3.29Å; D347-I351 PolarHBondContact O-N 3.17Å; T348-I351 WeakPolarHBondContact O-CB 3.39Å; T348-I351 PolarHBondContact O-N 3.27Å; I351-R353 VanDerWaalsContact C-N 3.29Å; I351-R353 PolarHBondContact O-N 3.46Å; I351-G354 PolarHBondContact O-N 3.06Å; I351-G354 VanDerWaalsContact O-N 3.09Å; I351-L355 HydrophobicContact CG2-CD1 3.99Å; I351-L355 WeakPolarHBondContact O-CG 3.4Å; I351-L355 PolarHBondContact O-N 2.91Å; I351-P389 HydrophobicContact CD1-CB 4.08Å; I351-P389 HydrophobicContact CD1-CG 4.07Å; I351-P389 HydrophobicContact CG2-CB 4.27Å; I351-P389 HydrophobicContact CG2-CG 4.43Å; I351-I393 HydrophobicContact CG2-CD1 4.49Å
352L97.4Very high92.6Very high2 Ų252.2 Ų52.21%0.0126%0.261CS..Hα-helixtrans-58.2-39.7178.9-71.5177.5000112.3T348 I349 G354 L355 K356 L372 A375 A376 A392 I393 V396T348-L352 HydrophobicContact CG2-CD1 4.27Å; T348-L352 HydrophobicContact CG2-CG 4.31Å; T348-L352 WeakPolarHBondContact O-CB 3.12Å; T348-L352 VanDerWaalsContact O-CG 3.32Å; T348-L352 WeakPolarHBondContact O-CG 3.25Å; T348-L352 PolarHBondContact O-N 2.96Å; I349-L352 PolarHBondContact O-N 3.41Å; L352-G354 VanDerWaalsContact C-N 3.31Å; L352-G354 PolarHBondContact O-N 3.2Å; L352-L355 CarbonylContact O-C 3.55Å; L352-L355 PolarHBondContact O-N 3.5Å; L352-K356 PolarHBondContact O-N 2.88Å; L352-L372 HydrophobicContact CB-CB 4.16Å; L352-L372 HydrophobicContact CB-CD1 4.36Å; L352-L372 HydrophobicContact CB-CD2 4.14Å; L352-L372 HydrophobicContact CB-CG 4.45Å; L352-L372 HydrophobicContact CD1-CB 4.28Å; L352-L372 WeakPolarHBondContact CD1-O 3.37Å; L352-A375 HydrophobicContact CD1-CB 4.09Å; L352-A376 HydrophobicContact CD1-CB 4.33Å; L352-A392 HydrophobicContact CD1-CB 4.08Å; L352-I393 HydrophobicContact CD2-CB 4.39Å; L352-I393 HydrophobicContact CD2-CG1 3.72Å; L352-V396 HydrophobicContact CD1-CG2 4.4Å; L352-V396 HydrophobicContact CD2-CG2 4.1Å
353R95.2Very high92.5Very high120 Ų12049.6 Ų49.645%0.45325%0.249SC..Hα-helixtrans-62.4-36.6176.5-79.5171.2174.7157.41.6112.9I349 S350 I351 K356 D369 L372I349-R353 HydrophobicContact CG2-CG 4.45Å; I349-R353 WeakPolarHBondContact O-CB 3.16Å; I349-R353 VanDerWaalsContact O-CG 3.25Å; I349-R353 WeakPolarHBondContact O-CG 3.5Å; I349-R353 PolarHBondContact O-N 3.38Å; S350-R353 PolarHBondContact O-N 2.88Å; I351-R353 VanDerWaalsContact C-N 3.29Å; I351-R353 PolarHBondContact O-N 3.46Å; R353-K356 WeakPolarHBondContact O-CB 3.42Å; R353-D369 IonicContact CZ-OD1 2.73Å; R353-D369 IonicContact CZ-OD2 3.9Å; R353-D369 IonicContact NE-OD1 3.29Å; R353-D369 PolarHBondContact NE-OD1 3.22Å; R353-D369 IonicContact NE-OD2 2.58Å; R353-D369 IonicContact NH2-OD1 2.79Å; R353-D369 PolarHBondContact NH2-OD1 3.19Å; R353-D369 IonicContact NH2-OD2 3.64Å; R353-D369 PolarHBondContact NH2-OD2 3.04Å; R353-L372 HydrophobicContact CB-CD1 4.32Å; R353-L372 HydrophobicContact CG-CD1 3.64Å
354G91.2Very high92.1Very high30 Ų3049.1 Ų49.131%0.30925%0.247SC..Hα-helixtrans-77.1-27.3175.400000113.5P181 S350 I351 L352P181-G354 WeakPolarHBondContact CG-O 3.46Å; S350-G354 PolarHBondContact O-N 2.83Å; I351-G354 PolarHBondContact O-N 3.06Å; I351-G354 VanDerWaalsContact O-N 3.09Å; L352-G354 VanDerWaalsContact C-N 3.31Å; L352-G354 PolarHBondContact O-N 3.2Å
355L92.5Very high92Very high12 Ų1245.8 Ų45.86%0.06323%0.226CC..Hα-helixtrans-79.9-18172.9-63.2175.6000113.3D180 P181 I351 L352 E357 R358 F359 I393D180-L355 HydrophobicContact CB-CD2 3.83Å; P181-L355 HydrophobicContact CG-CD2 4.28Å; I351-L355 HydrophobicContact CG2-CD1 3.99Å; I351-L355 WeakPolarHBondContact O-CG 3.4Å; I351-L355 PolarHBondContact O-N 2.91Å; L352-L355 CarbonylContact O-C 3.55Å; L352-L355 PolarHBondContact O-N 3.5Å; L355-E357 PolarHBondContact O-N 3.08Å; L355-R358 WeakPolarHBondContact O-CB 3.48Å; L355-R358 PolarHBondContact O-N 3.25Å; L355-R358 VanDerWaalsContact O-N 3.09Å; L355-F359 HydrophobicContact CB-CD2 3.94Å; L355-F359 HydrophobicContact CB-CE2 3.82Å; L355-F359 HydrophobicContact CD1-CE2 4.26Å; L355-F359 WeakPolarHBondContact O-CD2 3.27Å; L355-F359 PolarHBondContact O-N 3.32Å; L355-F359 VanDerWaalsContact O-N 3.15Å; L355-I393 HydrophobicContact CD1-CD1 3.75Å; L355-I393 HydrophobicContact CD1-CG1 3.98Å
356K94.2Very high92.1Very high55 Ų5545.8 Ų45.824%0.23923%0.225CC..Hα-helixtrans-47.9-54.5-174.6178.3-177.5160.8168.10112.9L352 R353 R358 F359 E360 I367 L372L352-K356 PolarHBondContact O-N 2.88Å; R353-K356 WeakPolarHBondContact O-CB 3.42Å; K356-R358 PolarHBondContact O-N 3.06Å; K356-F359 PolarHBondContact O-N 2.58Å; K356-E360 WeakPolarHBondContact CE-OE1 3.38Å; K356-E360 WeakPolarHBondContact CE-OE2 3.46Å; K356-E360 HydrophobicContact CG-CG 4.2Å; K356-E360 IonicContact NZ-OE1 3.08Å; K356-E360 WeakPolarHBondContact O-CG 3.21Å; K356-E360 PolarHBondContact O-N 3.29Å; K356-I367 WeakPolarHBondContact CE-O 3.2Å; K356-I367 HydrophobicContact CG-CB 4.25Å; K356-I367 PolarHBondContact NZ-O 3.3Å; K356-L372 HydrophobicContact CB-CD1 4.32Å; K356-L372 HydrophobicContact CD-CD1 4.28Å
357E88.7Confident92.1Very high62 Ų6238.5 Ų38.529%0.2919%0.191SC..Hα-helixtrans-58.2-37.4-175.2-172.3169.3-168.600111.1L355 I361 K485L355-E357 PolarHBondContact O-N 3.08Å; E357-I361 HydrophobicContact CG-CD1 4.02Å; E357-I361 WeakPolarHBondContact O-CB 3.45Å; E357-I361 WeakPolarHBondContact O-CD1 3.3Å; E357-I361 WeakPolarHBondContact O-CG1 2.87Å; E357-I361 PolarHBondContact O-N 2.99Å; E357-K485 VanDerWaalsContact CD-NZ 3.35Å; E357-K485 IonicContact OE1-NZ 3.37Å; E357-K485 PolarHBondContact OE1-NZ 3.45Å; E357-K485 IonicContact OE2-NZ 2.75Å; E357-K485 PolarHBondContact OE2-NZ 3.5Å
358R89Confident92Very high72 Ų7238.5 Ų38.527%0.27219%0.188SC..Hα-helixtrans-69.8-44.4178-69.5-172.9167.2-152.4-6.5112.9G177 Q179 D180 L355 K356 E360 I361 H362G177-R358 PolarHBondContact O-NH2 2.83Å; Q179-R358 PolarHBondContact O-NH1 2.76Å; Q179-R358 PolarHBondContact O-NH2 2.91Å; D180-R358 WeakPolarHBondContact OD1-CD 3.47Å; D180-R358 IonicContact OD1-CZ 2.79Å; D180-R358 IonicContact OD1-NE 3.83Å; D180-R358 IonicContact OD1-NH1 2.66Å; D180-R358 PolarHBondContact OD1-NH1 3.3Å; L355-R358 WeakPolarHBondContact O-CB 3.48Å; L355-R358 PolarHBondContact O-N 3.25Å; L355-R358 VanDerWaalsContact O-N 3.09Å; K356-R358 PolarHBondContact O-N 3.06Å; R358-E360 VanDerWaalsContact C-N 3.32Å; R358-E360 PolarHBondContact O-N 2.97Å; R358-I361 PolarHBondContact O-N 3.41Å; R358-H362 VanDerWaalsContact O-CB 3.27Å; R358-H362 WeakPolarHBondContact O-CB 3.27Å; R358-H362 PolarHBondContact O-N 3.44Å
359F92.7Very high92Very high32 Ų3241.6 Ų41.614%0.1421%0.205CC..Hα-helixtrans-62.9-41.1175.1-79.9-67.8000111.8L355 K356 I361 H362 H363 I367 I393 V396 D397L355-F359 HydrophobicContact CB-CD2 3.94Å; L355-F359 HydrophobicContact CB-CE2 3.82Å; L355-F359 HydrophobicContact CD1-CE2 4.26Å; L355-F359 WeakPolarHBondContact O-CD2 3.27Å; L355-F359 PolarHBondContact O-N 3.32Å; L355-F359 VanDerWaalsContact O-N 3.15Å; K356-F359 PolarHBondContact O-N 2.58Å; F359-I361 PolarHBondContact O-N 3.21Å; F359-H362 PolarHBondContact O-N 2.85Å; F359-H363 WeakPolarHBondContact O-CB 3.18Å; F359-H363 PolarHBondContact O-CD2 2.97Å; F359-H363 PolarHBondContact O-N 2.64Å; F359-I367 HydrophobicContact CB-CD1 3.57Å; F359-I393 HydrophobicContact CE2-CG2 4Å; F359-I393 HydrophobicContact CZ-CG2 3.58Å; F359-V396 HydrophobicContact CD2-CG1 4.45Å; F359-V396 HydrophobicContact CG-CG1 4.49Å; F359-D397 HydrophobicContact CD1-CB 4.37Å; F359-D397 HydrophobicContact CE1-CB 3.7Å; F359-D397 VanDerWaalsContact CE1-OD1 3.3Å; F359-D397 WeakPolarHBondContact CE1-OD1 3.5Å; F359-D397 HydrophobicContact CZ-CB 4.35Å
360E91.1Very high91.8Very high11 Ų1145.5 Ų45.55%0.05123%0.226CC..Hα-helixtrans-61.4-43.1176-72.1-172.814100112.1K356 R358 G364 V365 N366 I367 R478K356-E360 WeakPolarHBondContact CE-OE1 3.38Å; K356-E360 WeakPolarHBondContact CE-OE2 3.46Å; K356-E360 HydrophobicContact CG-CG 4.2Å; K356-E360 IonicContact NZ-OE1 3.08Å; K356-E360 WeakPolarHBondContact O-CG 3.21Å; K356-E360 PolarHBondContact O-N 3.29Å; R358-E360 VanDerWaalsContact C-N 3.32Å; R358-E360 PolarHBondContact O-N 2.97Å; E360-G364 WeakPolarHBondContact O-CA 3.48Å; E360-G364 PolarHBondContact O-N 3.13Å; E360-V365 WeakPolarHBondContact CA-O 3.34Å; E360-V365 VanDerWaalsContact CB-O 3.24Å; E360-V365 WeakPolarHBondContact CB-O 3.34Å; E360-V365 VanDerWaalsContact CG-O 3.27Å; E360-V365 WeakPolarHBondContact CG-O 3.41Å; E360-V365 PolarHBondContact O-N 3.14Å; E360-N366 WeakPolarHBondContact OE1-CA 3.39Å; E360-N366 PolarHBondContact OE1-OD1 2.82Å; E360-N366 VanDerWaalsContact OE1-OD1 3.06Å; E360-I367 HydrophobicContact CG-CB 4.23Å; E360-I367 HydrophobicContact CG-CD1 3.92Å; E360-I367 HydrophobicContact CG-CG1 3.88Å; E360-I367 PolarHBondContact OE1-N 3.23Å; E360-R478 IonicContact OE1-NH1 3.25Å; E360-R478 IonicContact OE2-CZ 3.08Å; E360-R478 IonicContact OE2-NH1 2.81Å; E360-R478 PolarHBondContact OE2-NH1 3.42Å; E360-R478 VanDerWaalsContact OE2-NH1 3.17Å
361I87.9Confident91.7Very high38 Ų3843.1 Ų43.120%0.19521%0.209CC..Hα-helixtrans-67.8-45.9176.6-69.4164.6000111.1E357 R358 F359 R478 A479 D482E357-I361 HydrophobicContact CG-CD1 4.02Å; E357-I361 WeakPolarHBondContact O-CB 3.45Å; E357-I361 WeakPolarHBondContact O-CD1 3.3Å; E357-I361 WeakPolarHBondContact O-CG1 2.87Å; E357-I361 PolarHBondContact O-N 2.99Å; R358-I361 PolarHBondContact O-N 3.41Å; F359-I361 PolarHBondContact O-N 3.21Å; I361-R478 HydrophobicContact CD1-CB 4.27Å; I361-R478 HydrophobicContact CG1-CB 3.82Å; I361-A479 HydrophobicContact CG2-CB 4.18Å; I361-D482 HydrophobicContact CD1-CB 3.92Å
362H88.6Confident91.8Very high145 Ų14542.2 Ų42.267%0.67120%0.204SC*.Hα-helixtrans-63.9-46-176.1-179.9-92.2000112.1R358 F359R358-H362 VanDerWaalsContact O-CB 3.27Å; R358-H362 WeakPolarHBondContact O-CB 3.27Å; R358-H362 PolarHBondContact O-N 3.44Å; F359-H362 PolarHBondContact O-N 2.85Å
363H90.4Very high91.6Very high17 Ų1744.5 Ų44.58%0.07922%0.218CC..Hα-helixtrans-90.8-16.2-178.6-65.9-67.8000113.4F359 V365 D397 S400 R404F359-H363 WeakPolarHBondContact O-CB 3.18Å; F359-H363 PolarHBondContact O-CD2 2.97Å; F359-H363 PolarHBondContact O-N 2.64Å; H363-V365 HydrophobicContact CB-CG1 4.11Å; H363-V365 HydrophobicContact CB-CG2 3.9Å; H363-D397 IonicContact CD2-OD1 3.93Å; H363-D397 IonicContact CE1-OD1 3.42Å; H363-D397 PolarHBondContact CE1-OD1 3.42Å; H363-D397 IonicContact NE2-OD1 3.13Å; H363-D397 PolarHBondContact NE2-OD1 2.76Å; H363-S400 WeakPolarHBondContact CD2-CB 3.3Å; H363-R404 WeakPolarHBondContact O-CD 3.5Å; H363-R404 WeakPolarHBondContact O-CG 3.5Å; H363-R404 PolarHBondContact O-NE 2.68Å; H363-R404 PolarHBondContact O-NH1 3.2Å
364G86.4Confident91.2Very high4 Ų439.3 Ų39.34%0.04120%0.201CC..THydrogen-bonded Turntrans64.746.2-174.500000112E360 V471E360-G364 WeakPolarHBondContact O-CA 3.48Å; E360-G364 PolarHBondContact O-N 3.13Å; G364-V471 WeakPolarHBondContact O-CG1 3.46Å
365V89Confident91.4Very high3 Ų337.9 Ų37.92%0.01819%0.186CC..  trans-131.1168.8-178.3-57.10000110.7E360 H363 I367 I403 R404 M407 E532 V534E360-V365 WeakPolarHBondContact CA-O 3.34Å; E360-V365 VanDerWaalsContact CB-O 3.24Å; E360-V365 WeakPolarHBondContact CB-O 3.34Å; E360-V365 VanDerWaalsContact CG-O 3.27Å; E360-V365 WeakPolarHBondContact CG-O 3.41Å; E360-V365 PolarHBondContact O-N 3.14Å; H363-V365 HydrophobicContact CB-CG1 4.11Å; H363-V365 HydrophobicContact CB-CG2 3.9Å; V365-I367 HydrophobicContact CG2-CG1 4.2Å; V365-I403 HydrophobicContact CB-CG2 4.33Å; V365-I403 HydrophobicContact CG1-CB 4.23Å; V365-I403 HydrophobicContact CG1-CG2 3.69Å; V365-R404 HydrophobicContact CG1-CB 4.35Å; V365-M407 HydrophobicContact CG1-SD 4.24Å; V365-E532 WeakPolarHBondContact CA-O 3.09Å; V365-E532 WeakPolarHBondContact CB-O 3.42Å; V365-V534 HydrophobicContact CG2-CG2 4.18Å
366N89Confident91.4Very high40 Ų4037.3 Ų37.321%0.21418%0.183CC..EExtended strand (participates in β ladder)trans-109.6127.3173.9-170.8-7.9000110.4E360 E532 S533 V534E360-N366 WeakPolarHBondContact OE1-CA 3.39Å; E360-N366 PolarHBondContact OE1-OD1 2.82Å; E360-N366 VanDerWaalsContact OE1-OD1 3.06Å; N366-E532 PolarHBondContact N-O 3.24Å; N366-S533 CarbonylContact O-C 3.38Å; N366-S533 WeakPolarHBondContact O-CA 3.19Å; N366-V534 PolarHBondContact O-N 3.16Å
367I93.9Very high91Very high0 Ų037.7 Ų37.70%019%0.19CC..EExtended strand (participates in β ladder)trans-108114.4-176.7-56.5167.7000109.3K356 F359 E360 V365 A371 L372 V396 V534K356-I367 WeakPolarHBondContact CE-O 3.2Å; K356-I367 HydrophobicContact CG-CB 4.25Å; K356-I367 PolarHBondContact NZ-O 3.3Å; F359-I367 HydrophobicContact CB-CD1 3.57Å; E360-I367 HydrophobicContact CG-CB 4.23Å; E360-I367 HydrophobicContact CG-CD1 3.92Å; E360-I367 HydrophobicContact CG-CG1 3.88Å; E360-I367 PolarHBondContact OE1-N 3.23Å; V365-I367 HydrophobicContact CG2-CG1 4.2Å; I367-A371 HydrophobicContact CG2-CB 4.16Å; I367-L372 HydrophobicContact CG2-CD2 3.46Å; I367-L372 VanDerWaalsContact CG2-CD2 3.46Å; I367-L372 HydrophobicContact CG2-CG 4.15Å; I367-V396 HydrophobicContact CD1-CG1 3.82Å; I367-V396 HydrophobicContact CG2-CG1 4.41Å; I367-V534 HydrophobicContact CG1-CB 4.23Å; I367-V534 HydrophobicContact CG1-CG2 4.3Å; I367-V534 HydrophobicContact CG2-CB 4.43Å
368H92.6Very high90.8Very high77 Ų7736.1 Ų36.136%0.35618%0.184SC..  trans-69.9147.5177.5-72.4-172.5000111.3N370 A371 L372 V534H368-N370 PolarHBondContact O-N 2.81Å; H368-A371 WeakPolarHBondContact O-CA 3.38Å; H368-A371 WeakPolarHBondContact O-CB 3.34Å; H368-A371 PolarHBondContact O-N 3.06Å; H368-L372 PolarHBondContact O-N 3.02Å; H368-V534 WeakPolarHBondContact CB-O 3.2Å; H368-V534 PolarHBondContact N-O 3.12Å
369D94.1Very high90.7Very high65 Ų6532.7 Ų32.735%0.34817%0.171SC..Hα-helixtrans-60.2-37.4178.9-168.469.4000111.8R353 A371 L372 V373R353-D369 IonicContact CZ-OD1 2.73Å; R353-D369 IonicContact CZ-OD2 3.9Å; R353-D369 IonicContact NE-OD1 3.29Å; R353-D369 PolarHBondContact NE-OD1 3.22Å; R353-D369 IonicContact NE-OD2 2.58Å; R353-D369 IonicContact NH2-OD1 2.79Å; R353-D369 PolarHBondContact NH2-OD1 3.19Å; R353-D369 IonicContact NH2-OD2 3.64Å; R353-D369 PolarHBondContact NH2-OD2 3.04Å; D369-A371 PolarHBondContact O-N 3.24Å; D369-L372 WeakPolarHBondContact O-CB 3.33Å; D369-L372 PolarHBondContact O-N 2.81Å; D369-V373 WeakPolarHBondContact O-CG2 3.48Å; D369-V373 PolarHBondContact O-N 2.85Å
370N92.1Very high90.4Very high100 Ų10034.6 Ų34.654%0.53518%0.182SC..Hα-helixtrans-60.2-29.2174.5-66.5-11.2000112.7H368 A374H368-N370 PolarHBondContact O-N 2.81Å; N370-A374 VanDerWaalsContact O-CB 3.24Å; N370-A374 WeakPolarHBondContact O-CB 3.41Å; N370-A374 PolarHBondContact O-N 3.26Å
371A94Very high89.6Confident0 Ų041.2 Ų41.20%021%0.207CC..Hα-helixtrans-67.6-40.7174.400000111I367 H368 D369 A374 A375 V534 T535 I539I367-A371 HydrophobicContact CG2-CB 4.16Å; H368-A371 WeakPolarHBondContact O-CA 3.38Å; H368-A371 WeakPolarHBondContact O-CB 3.34Å; H368-A371 PolarHBondContact O-N 3.06Å; D369-A371 PolarHBondContact O-N 3.24Å; A371-A374 PolarHBondContact O-N 3.36Å; A371-A375 WeakPolarHBondContact O-CB 3.5Å; A371-A375 PolarHBondContact O-N 2.68Å; A371-V534 HydrophobicContact CB-CG1 4.09Å; A371-V534 WeakPolarHBondContact CB-O 3.49Å; A371-T535 WeakPolarHBondContact CB-O 3.46Å; A371-I539 HydrophobicContact CB-CG1 4.03Å
372L97.4Very high88.8Confident1 Ų141 Ų411%0.00520%0.204CC..Hα-helixtrans-65.3-42.5176.9-51.7-176.3000111.4L352 R353 K356 I367 H368 D369 A375 A376 V396L352-L372 HydrophobicContact CB-CB 4.16Å; L352-L372 HydrophobicContact CB-CD1 4.36Å; L352-L372 HydrophobicContact CB-CD2 4.14Å; L352-L372 HydrophobicContact CB-CG 4.45Å; L352-L372 HydrophobicContact CD1-CB 4.28Å; L352-L372 WeakPolarHBondContact CD1-O 3.37Å; R353-L372 HydrophobicContact CB-CD1 4.32Å; R353-L372 HydrophobicContact CG-CD1 3.64Å; K356-L372 HydrophobicContact CB-CD1 4.32Å; K356-L372 HydrophobicContact CD-CD1 4.28Å; I367-L372 HydrophobicContact CG2-CD2 3.46Å; I367-L372 VanDerWaalsContact CG2-CD2 3.46Å; I367-L372 HydrophobicContact CG2-CG 4.15Å; H368-L372 PolarHBondContact O-N 3.02Å; D369-L372 WeakPolarHBondContact O-CB 3.33Å; D369-L372 PolarHBondContact O-N 2.81Å; L372-A375 PolarHBondContact O-N 2.76Å; L372-A376 PolarHBondContact O-N 3.29Å; L372-A376 VanDerWaalsContact O-N 3.08Å; L372-V396 HydrophobicContact CD2-CG1 4.31Å; L372-V396 HydrophobicContact CD2-CG2 4.01Å
373V93.2Very high88.5Confident50 Ų5034.8 Ų34.830%0.30318%0.175SC..Hα-helixtrans-61.7-45.4174.5178.70000110.7I349 D369 T377I349-V373 HydrophobicContact CD1-CB 4.39Å; I349-V373 HydrophobicContact CD1-CG1 4.21Å; I349-V373 HydrophobicContact CD1-CG2 4.15Å; I349-V373 HydrophobicContact CG1-CG2 4.5Å; I349-V373 HydrophobicContact CG2-CG2 4.26Å; D369-V373 WeakPolarHBondContact O-CG2 3.48Å; D369-V373 PolarHBondContact O-N 2.85Å; V373-T377 VanDerWaalsContact O-CB 3.29Å; V373-T377 WeakPolarHBondContact O-CB 3.33Å; V373-T377 PolarHBondContact O-N 3.1Å; V373-T377 PolarHBondContact O-OG1 2.9Å
374A87.3Confident87.8Confident11 Ų1137.2 Ų37.29%0.09119%0.192CC..Hα-helixtrans-62.1-44.7175.800000111.3N370 A371 A376 T377 L378 E536 I539N370-A374 VanDerWaalsContact O-CB 3.24Å; N370-A374 WeakPolarHBondContact O-CB 3.41Å; N370-A374 PolarHBondContact O-N 3.26Å; A371-A374 PolarHBondContact O-N 3.36Å; A374-A376 PolarHBondContact O-N 2.93Å; A374-T377 PolarHBondContact O-N 3.23Å; A374-L378 HydrophobicContact CB-CD1 4.13Å; A374-L378 HydrophobicContact CB-CG 4.45Å; A374-L378 WeakPolarHBondContact O-CA 3.45Å; A374-L378 WeakPolarHBondContact O-CB 3.33Å; A374-L378 WeakPolarHBondContact O-CG 3.18Å; A374-L378 PolarHBondContact O-N 3.39Å; A374-E536 HydrophobicContact CB-CB 3.92Å; A374-I539 HydrophobicContact CB-CB 4.31Å; A374-I539 HydrophobicContact CB-CG2 4.15Å
375A95.3Very high87.4Confident0 Ų042.1 Ų42.10%022%0.217CC..Hα-helixtrans-59.4-47.1-179.400000111.2L352 A371 L372 S379 L395 V396 I539L352-A375 HydrophobicContact CD1-CB 4.09Å; A371-A375 WeakPolarHBondContact O-CB 3.5Å; A371-A375 PolarHBondContact O-N 2.68Å; L372-A375 PolarHBondContact O-N 2.76Å; A375-S379 WeakPolarHBondContact O-CB 3.29Å; A375-S379 PolarHBondContact O-N 3.22Å; A375-S379 VanDerWaalsContact O-N 3.08Å; A375-S379 PolarHBondContact O-OG 2.7Å; A375-L395 HydrophobicContact CB-CB 4.32Å; A375-V396 HydrophobicContact CB-CG2 3.58Å; A375-I539 HydrophobicContact CB-CD1 4.07Å; A375-I539 HydrophobicContact CB-CG1 4.46Å; A375-I539 HydrophobicContact CB-CG2 4.11Å
376A93.1Very high87.3Confident0 Ų045.4 Ų45.40%023%0.229CC..Hα-helixtrans-65.7-47.1176.800000112.3V345 T348 I349 L352 L372 A374 S379 D380V345-A376 HydrophobicContact CG1-CB 3.91Å; T348-A376 HydrophobicContact CG2-CB 4.03Å; I349-A376 HydrophobicContact CD1-CB 4.42Å; I349-A376 HydrophobicContact CG1-CB 3.65Å; L352-A376 HydrophobicContact CD1-CB 4.33Å; L372-A376 PolarHBondContact O-N 3.29Å; L372-A376 VanDerWaalsContact O-N 3.08Å; A374-A376 PolarHBondContact O-N 2.93Å; A376-S379 PolarHBondContact O-OG 3.12Å; A376-D380 VanDerWaalsContact O-CB 3.3Å; A376-D380 WeakPolarHBondContact O-CB 3.4Å; A376-D380 PolarHBondContact O-N 2.71Å; A376-D380 VanDerWaalsContact O-N 3.17Å
377T85.7Confident87.5Confident63 Ų6346.4 Ų46.439%0.38723%0.232SC..Hα-helixtrans-72-42.6-174.5-51.50000112.5V373 A374 R381V373-T377 VanDerWaalsContact O-CB 3.29Å; V373-T377 WeakPolarHBondContact O-CB 3.33Å; V373-T377 PolarHBondContact O-N 3.1Å; V373-T377 PolarHBondContact O-OG1 2.9Å; A374-T377 PolarHBondContact O-N 3.23Å; T377-R381 WeakPolarHBondContact O-CB 3.48Å; T377-R381 PolarHBondContact O-N 2.88Å
378L83.7Confident87.6Confident29 Ų2946.5 Ų46.515%0.15223%0.232CC..Hα-helixtrans-75.5-41-178.1-58.4-178.5000110.8A374 D380 R381 Y382 I539 A540 V543 V551A374-L378 HydrophobicContact CB-CD1 4.13Å; A374-L378 HydrophobicContact CB-CG 4.45Å; A374-L378 WeakPolarHBondContact O-CA 3.45Å; A374-L378 WeakPolarHBondContact O-CB 3.33Å; A374-L378 WeakPolarHBondContact O-CG 3.18Å; A374-L378 PolarHBondContact O-N 3.39Å; L378-D380 VanDerWaalsContact C-N 3.34Å; L378-D380 PolarHBondContact O-N 3.2Å; L378-R381 PolarHBondContact O-N 3.11Å; L378-Y382 HydrophobicContact CB-CD2 4.08Å; L378-Y382 HydrophobicContact CD2-CD2 4.14Å; L378-Y382 HydrophobicContact CD2-CE2 3.71Å; L378-Y382 WeakPolarHBondContact O-CB 3.45Å; L378-Y382 VanDerWaalsContact O-CD2 3.24Å; L378-Y382 WeakPolarHBondContact O-CD2 3.26Å; L378-Y382 PolarHBondContact O-N 2.88Å; L378-I539 HydrophobicContact CD1-CG2 4.18Å; L378-A540 HydrophobicContact CD1-CB 4.18Å; L378-V543 HydrophobicContact CB-CG2 4.09Å; L378-V551 HydrophobicContact CB-CG1 4.46Å; L378-V551 HydrophobicContact CD1-CG1 3.69Å; L378-V551 HydrophobicContact CD2-CG1 3.52Å; L378-V551 HydrophobicContact CG-CG1 4.07Å
379S88.2Confident87.8Confident0 Ų043.3 Ų43.30%022%0.218CC..Hα-helixtrans-64.1-38.6175.263.90000112.5A375 A376 R381 I383 L388 K391A375-S379 WeakPolarHBondContact O-CB 3.29Å; A375-S379 PolarHBondContact O-N 3.22Å; A375-S379 VanDerWaalsContact O-N 3.08Å; A375-S379 PolarHBondContact O-OG 2.7Å; A376-S379 PolarHBondContact O-OG 3.12Å; S379-R381 VanDerWaalsContact C-N 3.32Å; S379-R381 PolarHBondContact O-N 3Å; S379-I383 CarbonylContact O-C 3.55Å; S379-I383 WeakPolarHBondContact O-CA 3.43Å; S379-I383 WeakPolarHBondContact O-CB 3.28Å; S379-I383 PolarHBondContact O-N 3.4Å; S379-I383 VanDerWaalsContact O-O 3.04Å; S379-L388 WeakPolarHBondContact OG-CD2 3.23Å; S379-K391 WeakPolarHBondContact O-CE 3.17Å; S379-K391 PolarHBondContact O-NZ 3.16Å
380D85.4Confident87.9Confident72 Ų7243.3 Ų43.339%0.38522%0.218SC..Hα-helixtrans-60.4-43175.1-171.750.6000111.8V345 A376 L378 L388V345-D380 HydrophobicContact CG2-CB 3.93Å; A376-D380 VanDerWaalsContact O-CB 3.3Å; A376-D380 WeakPolarHBondContact O-CB 3.4Å; A376-D380 PolarHBondContact O-N 2.71Å; A376-D380 VanDerWaalsContact O-N 3.17Å; L378-D380 VanDerWaalsContact C-N 3.34Å; L378-D380 PolarHBondContact O-N 3.2Å; D380-L388 HydrophobicContact CB-CD1 4.29Å
381R73.3Confident88.1Confident150 Ų15038.9 Ų38.957%0.56619%0.194SC*.Hα-helixtrans-79.1-40.8-176.2-176.3173179.9-179.3-0.4114.5T377 L378 S379T377-R381 WeakPolarHBondContact O-CB 3.48Å; T377-R381 PolarHBondContact O-N 2.88Å; L378-R381 PolarHBondContact O-N 3.11Å; S379-R381 VanDerWaalsContact C-N 3.32Å; S379-R381 PolarHBondContact O-N 3Å
382Y72.4Confident88.2Confident35 Ų3538.9 Ų38.914%0.13719%0.194CC..Hα-helixtrans-106.3-22.5-167.6-64-81.1000113.6L378 V543 I549 V551 Y674L378-Y382 HydrophobicContact CB-CD2 4.08Å; L378-Y382 HydrophobicContact CD2-CD2 4.14Å; L378-Y382 HydrophobicContact CD2-CE2 3.71Å; L378-Y382 WeakPolarHBondContact O-CB 3.45Å; L378-Y382 VanDerWaalsContact O-CD2 3.24Å; L378-Y382 WeakPolarHBondContact O-CD2 3.26Å; L378-Y382 PolarHBondContact O-N 2.88Å; Y382-V543 HydrophobicContact CD2-CG1 4.38Å; Y382-V543 HydrophobicContact CG-CG1 4.19Å; Y382-I549 HydrophobicContact CD1-CD1 3.9Å; Y382-V551 HydrophobicContact CD1-CG2 4.26Å; Y382-V551 HydrophobicContact CD2-CG1 3.87Å; Y382-V551 HydrophobicContact CD2-CG2 4.29Å; Y382-V551 HydrophobicContact CE1-CG2 4.33Å; Y382-V551 HydrophobicContact CE2-CG1 3.43Å; Y382-V551 VanDerWaalsContact CE2-CG1 3.43Å; Y382-V551 HydrophobicContact CE2-CG2 4.35Å; Y382-V551 HydrophobicContact CG-CG2 4.29Å; Y382-Y674 HydrophobicContact CD1-CE1 4.44Å; Y382-Y674 HydrophobicContact CD1-CE2 4.38Å; Y382-Y674 AromaticContact CD1-CZ 3.71Å; Y382-Y674 WeakPolarHBondContact CD1-OH 3.27Å; Y382-Y674 HydrophobicContact CE1-CE1 4.29Å; Y382-Y674 AromaticContact CE1-CZ 3.95Å; Y382-Y674 WeakPolarHBondContact CE1-OH 3.36Å
383I81.1Confident88.2Confident13 Ų1340.8 Ų40.87%0.06720%0.204CC..  trans-115.583.6-177.8-52.7175.3000108.6S379 R386 K391 L395 L546 T547S379-I383 CarbonylContact O-C 3.55Å; S379-I383 WeakPolarHBondContact O-CA 3.43Å; S379-I383 WeakPolarHBondContact O-CB 3.28Å; S379-I383 PolarHBondContact O-N 3.4Å; S379-I383 VanDerWaalsContact O-O 3.04Å; I383-R386 HydrophobicContact CG2-CB 4.18Å; I383-R386 HydrophobicContact CG2-CG 4.42Å; I383-K391 HydrophobicContact CB-CD 4.24Å; I383-K391 HydrophobicContact CG2-CB 4.47Å; I383-K391 HydrophobicContact CG2-CD 4.31Å; I383-K391 WeakPolarHBondContact O-CD 3.43Å; I383-K391 PolarHBondContact O-NZ 3.36Å; I383-L395 HydrophobicContact CD1-CD1 4.3Å; I383-L395 HydrophobicContact CD1-CD2 4.06Å; I383-L395 HydrophobicContact CD1-CG 4.35Å; I383-L546 HydrophobicContact CD1-CD1 4.36Å; I383-T547 HydrophobicContact CG1-CG2 4.01Å
384T76.4Confident88.4Confident68 Ų6841 Ų4142%0.41720%0.203SC..  trans-93-11.7-169.756.20000114.5R386T384-R386 VanDerWaalsContact C-N 3.32Å
385D78.3Confident88.9Confident108 Ų10840.5 Ų40.558%0.57820%0.199SC*.SBendtrans-85.1-6.8178.167.3-44.4000113.4
386R87.7Confident89Confident72 Ų7240.5 Ų40.527%0.27220%0.199SC..SBendtrans-123.3163175.8-64.9175.566.2-177.51.8111.2I383 T384 D390 K391 D394I383-R386 HydrophobicContact CG2-CB 4.18Å; I383-R386 HydrophobicContact CG2-CG 4.42Å; T384-R386 VanDerWaalsContact C-N 3.32Å; R386-D390 IonicContact CZ-OD2 3.85Å; R386-D390 IonicContact NE-OD2 2.74Å; R386-D390 IonicContact NH2-OD2 2.84Å; R386-D390 PolarHBondContact NH2-OD2 3.21Å; R386-K391 HydrophobicContact CB-CB 3.96Å; R386-K391 HydrophobicContact CB-CD 4.18Å; R386-K391 WeakPolarHBondContact O-CD 3.44Å; R386-K391 WeakPolarHBondContact O-CE 3.5Å; R386-K391 PolarHBondContact O-NZ 2.87Å; R386-D394 IonicContact CZ-OD2 3.05Å; R386-D394 VanDerWaalsContact CZ-OD2 3.29Å; R386-D394 IonicContact NH1-OD2 2.74Å; R386-D394 PolarHBondContact NH1-OD2 3.19Å; R386-D394 IonicContact NH2-OD2 2.69Å; R386-D394 PolarHBondContact NH2-OD2 3Å
387F93.1Very high89.2Confident61 Ų6143.3 Ų43.327%0.26821%0.214SC..  trans-113.6150.9-174.8-57.4-85.3000112E209 V212 E342 D390 K391E209-F387 HydrophobicContact CB-CD1 4.1Å; E209-F387 HydrophobicContact CB-CD2 3.49Å; E209-F387 VanDerWaalsContact CB-CD2 3.49Å; E209-F387 HydrophobicContact CB-CE1 4.13Å; E209-F387 HydrophobicContact CB-CE2 3.53Å; E209-F387 HydrophobicContact CB-CG 3.79Å; E209-F387 HydrophobicContact CB-CZ 3.86Å; E209-F387 HydrophobicContact CG-CD1 4.19Å; E209-F387 HydrophobicContact CG-CD2 4.2Å; E209-F387 HydrophobicContact CG-CE1 3.8Å; E209-F387 HydrophobicContact CG-CE2 3.81Å; E209-F387 HydrophobicContact CG-CG 4.38Å; E209-F387 HydrophobicContact CG-CZ 3.59Å; V212-F387 HydrophobicContact CG1-CB 3.91Å; V212-F387 HydrophobicContact CG1-CG 4.47Å; E342-F387 HydrophobicContact CG-CB 4.32Å; E342-F387 VanDerWaalsContact OE1-CA 3.3Å; E342-F387 WeakPolarHBondContact OE1-CA 3.12Å; E342-F387 WeakPolarHBondContact OE2-CD1 3.4Å; F387-D390 PolarHBondContact O-N 2.93Å; F387-K391 PolarHBondContact O-N 2.96Å
388L95Very high89.8Confident1 Ų142.5 Ų42.51%0.00521%0.206CC..THydrogen-bonded Turntrans-69.8153.8170.8-61.4173.2000111.2V212 E342 P343 V345 T348 S379 D380 K391 A392V212-L388 WeakPolarHBondContact CA-O 3.34Å; E342-L388 HydrophobicContact CG-CB 3.87Å; E342-L388 PolarHBondContact OE1-N 3.08Å; P343-L388 WeakPolarHBondContact CD-O 3.49Å; P343-L388 HydrophobicContact CG-CB 3.88Å; V345-L388 HydrophobicContact CG2-CD1 4.22Å; T348-L388 HydrophobicContact CG2-CD2 4.14Å; S379-L388 WeakPolarHBondContact OG-CD2 3.23Å; D380-L388 HydrophobicContact CB-CD1 4.29Å; L388-K391 HydrophobicContact CD2-CD 4.21Å; L388-K391 HydrophobicContact CD2-CG 3.82Å; L388-A392 HydrophobicContact CD2-CB 3.97Å
389P97Very high90.3Very high11 Ų1141.1 Ų41.17%0.07120%0.199CC..THydrogen-bonded Turncis-84.2-7.8-3.936.9-35.1000113.2G211 P343 T348 I351 K391 A392 I393G211-P389 WeakPolarHBondContact O-CD 3.35Å; P343-P389 HydrophobicContact CG-CB 4.32Å; P343-P389 HydrophobicContact CG-CG 4.41Å; T348-P389 HydrophobicContact CG2-CB 3.75Å; I351-P389 HydrophobicContact CD1-CB 4.08Å; I351-P389 HydrophobicContact CD1-CG 4.07Å; I351-P389 HydrophobicContact CG2-CB 4.27Å; I351-P389 HydrophobicContact CG2-CG 4.43Å; P389-K391 PolarHBondContact O-N 3.43Å; P389-A392 WeakPolarHBondContact O-CA 3.2Å; P389-A392 WeakPolarHBondContact O-CB 3.26Å; P389-A392 PolarHBondContact O-N 3.22Å; P389-I393 HydrophobicContact CB-CD1 4.03Å; P389-I393 HydrophobicContact CB-CG1 4.41Å; P389-I393 HydrophobicContact CG-CD1 4.02Å; P389-I393 WeakPolarHBondContact O-CG1 3.41Å; P389-I393 PolarHBondContact O-N 3.3Å
390D96.8Very high90.6Very high65 Ų6541.1 Ų41.135%0.34820%0.199SC..Hα-helixtrans-49.9-53.2-171.917978.4000113.5G211 R386 F387 A392 I393 D394G211-D390 WeakPolarHBondContact O-CB 3.42Å; R386-D390 IonicContact CZ-OD2 3.85Å; R386-D390 IonicContact NE-OD2 2.74Å; R386-D390 IonicContact NH2-OD2 2.84Å; R386-D390 PolarHBondContact NH2-OD2 3.21Å; F387-D390 PolarHBondContact O-N 2.93Å; D390-A392 PolarHBondContact O-N 3.25Å; D390-I393 PolarHBondContact O-N 3.39Å; D390-I393 VanDerWaalsContact O-N 3.17Å; D390-D394 WeakPolarHBondContact O-CB 3.35Å; D390-D394 PolarHBondContact O-N 3.46Å
391K95.2Very high91Very high6 Ų639.4 Ų39.43%0.02620%0.195CC..Hα-helixtrans-59.9-31.2178.261.7179.3176.9-170.20113.8S379 I383 R386 F387 L388 P389 L395S379-K391 WeakPolarHBondContact O-CE 3.17Å; S379-K391 PolarHBondContact O-NZ 3.16Å; I383-K391 HydrophobicContact CB-CD 4.24Å; I383-K391 HydrophobicContact CG2-CB 4.47Å; I383-K391 HydrophobicContact CG2-CD 4.31Å; I383-K391 WeakPolarHBondContact O-CD 3.43Å; I383-K391 PolarHBondContact O-NZ 3.36Å; R386-K391 HydrophobicContact CB-CB 3.96Å; R386-K391 HydrophobicContact CB-CD 4.18Å; R386-K391 WeakPolarHBondContact O-CD 3.44Å; R386-K391 WeakPolarHBondContact O-CE 3.5Å; R386-K391 PolarHBondContact O-NZ 2.87Å; F387-K391 PolarHBondContact O-N 2.96Å; L388-K391 HydrophobicContact CD2-CD 4.21Å; L388-K391 HydrophobicContact CD2-CG 3.82Å; P389-K391 PolarHBondContact O-N 3.43Å; K391-L395 WeakPolarHBondContact O-CG 3.32Å; K391-L395 PolarHBondContact O-N 2.78Å
392A97.1Very high91.8Very high0 Ų033.9 Ų33.90%018%0.179CC..Hα-helixtrans-79.9-36179.200000111.4T348 L352 L388 P389 D390 D394 L395 V396T348-A392 HydrophobicContact CG2-CB 3.76Å; L352-A392 HydrophobicContact CD1-CB 4.08Å; L388-A392 HydrophobicContact CD2-CB 3.97Å; P389-A392 WeakPolarHBondContact O-CA 3.2Å; P389-A392 WeakPolarHBondContact O-CB 3.26Å; P389-A392 PolarHBondContact O-N 3.22Å; D390-A392 PolarHBondContact O-N 3.25Å; A392-D394 VanDerWaalsContact C-N 3.34Å; A392-L395 PolarHBondContact O-N 3.22Å; A392-V396 WeakPolarHBondContact O-CG2 3.3Å; A392-V396 PolarHBondContact O-N 3.1Å
393I97.6Very high92.5Very high41 Ų4132.3 Ų32.321%0.2117%0.173CC..Hα-helixtrans-61.6-46.7173.3-67169.1000109.6I351 L352 L355 F359 P389 D390 L395 V396 D397I351-I393 HydrophobicContact CG2-CD1 4.49Å; L352-I393 HydrophobicContact CD2-CB 4.39Å; L352-I393 HydrophobicContact CD2-CG1 3.72Å; L355-I393 HydrophobicContact CD1-CD1 3.75Å; L355-I393 HydrophobicContact CD1-CG1 3.98Å; F359-I393 HydrophobicContact CE2-CG2 4Å; F359-I393 HydrophobicContact CZ-CG2 3.58Å; P389-I393 HydrophobicContact CB-CD1 4.03Å; P389-I393 HydrophobicContact CB-CG1 4.41Å; P389-I393 HydrophobicContact CG-CD1 4.02Å; P389-I393 WeakPolarHBondContact O-CG1 3.41Å; P389-I393 PolarHBondContact O-N 3.3Å; D390-I393 PolarHBondContact O-N 3.39Å; D390-I393 VanDerWaalsContact O-N 3.17Å; I393-L395 VanDerWaalsContact C-N 3.34Å; I393-L395 PolarHBondContact O-N 3.27Å; I393-V396 PolarHBondContact O-N 3.12Å; I393-V396 VanDerWaalsContact O-N 3.13Å; I393-D397 PolarHBondContact O-N 3.33Å
394D97.5Very high92.8Very high54 Ų5435.1 Ų35.129%0.28918%0.183SC..Hα-helixtrans-59.7-41.5178.9-162.227.8000112.2R386 D390 A392 V396 D397 E398R386-D394 IonicContact CZ-OD2 3.05Å; R386-D394 VanDerWaalsContact CZ-OD2 3.29Å; R386-D394 IonicContact NH1-OD2 2.74Å; R386-D394 PolarHBondContact NH1-OD2 3.19Å; R386-D394 IonicContact NH2-OD2 2.69Å; R386-D394 PolarHBondContact NH2-OD2 3Å; D390-D394 WeakPolarHBondContact O-CB 3.35Å; D390-D394 PolarHBondContact O-N 3.46Å; A392-D394 VanDerWaalsContact C-N 3.34Å; D394-V396 PolarHBondContact O-N 3.12Å; D394-D397 PolarHBondContact O-N 2.81Å; D394-E398 WeakPolarHBondContact O-CB 3.41Å; D394-E398 PolarHBondContact O-N 2.98Å
395L96.9Very high93.3Very high1 Ų136.5 Ų36.51%0.00519%0.191CC..Hα-helixtrans-61.7-41.3174.2-72.4-177.8000113A375 I383 K391 A392 I393 A399 I539 V542 V543 L546A375-L395 HydrophobicContact CB-CB 4.32Å; I383-L395 HydrophobicContact CD1-CD1 4.3Å; I383-L395 HydrophobicContact CD1-CD2 4.06Å; I383-L395 HydrophobicContact CD1-CG 4.35Å; K391-L395 WeakPolarHBondContact O-CG 3.32Å; K391-L395 PolarHBondContact O-N 2.78Å; A392-L395 PolarHBondContact O-N 3.22Å; I393-L395 VanDerWaalsContact C-N 3.34Å; I393-L395 PolarHBondContact O-N 3.27Å; L395-A399 WeakPolarHBondContact O-CB 3.44Å; L395-A399 PolarHBondContact O-N 2.88Å; L395-I539 HydrophobicContact CB-CD1 4.41Å; L395-I539 HydrophobicContact CD1-CG2 4.19Å; L395-V542 HydrophobicContact CD2-CB 4.23Å; L395-V542 HydrophobicContact CD2-CG1 3.51Å; L395-V543 HydrophobicContact CD1-CG2 3.43Å; L395-V543 VanDerWaalsContact CD1-CG2 3.43Å; L395-V543 HydrophobicContact CD2-CG2 3.69Å; L395-V543 HydrophobicContact CG-CG2 4.22Å; L395-L546 HydrophobicContact CD2-CD1 3.81Å
396V98.1Very high93.5Very high1 Ų136.1 Ų36.11%0.00619%0.186CC..Hα-helixtrans-67.4-43.9177.8174.80000109.9L352 F359 I367 L372 A375 A392 I393 D394 A399 S400 I539L352-V396 HydrophobicContact CD1-CG2 4.4Å; L352-V396 HydrophobicContact CD2-CG2 4.1Å; F359-V396 HydrophobicContact CD2-CG1 4.45Å; F359-V396 HydrophobicContact CG-CG1 4.49Å; I367-V396 HydrophobicContact CD1-CG1 3.82Å; I367-V396 HydrophobicContact CG2-CG1 4.41Å; L372-V396 HydrophobicContact CD2-CG1 4.31Å; L372-V396 HydrophobicContact CD2-CG2 4.01Å; A375-V396 HydrophobicContact CB-CG2 3.58Å; A392-V396 WeakPolarHBondContact O-CG2 3.3Å; A392-V396 PolarHBondContact O-N 3.1Å; I393-V396 PolarHBondContact O-N 3.12Å; I393-V396 VanDerWaalsContact O-N 3.13Å; D394-V396 PolarHBondContact O-N 3.12Å; V396-A399 PolarHBondContact O-N 2.78Å; V396-S400 VanDerWaalsContact O-CB 3.31Å; V396-S400 WeakPolarHBondContact O-CB 3.49Å; V396-S400 PolarHBondContact O-N 2.82Å; V396-S400 PolarHBondContact O-OG 3.02Å; V396-S400 VanDerWaalsContact O-OG 3.07Å; V396-I539 HydrophobicContact CG2-CD1 4.2Å
397D97.6Very high93Very high58 Ų5833 Ų3331%0.3117%0.174SC..Hα-helixtrans-61-49.3178.2-166.841.7000111.8F359 H363 I393 D394 A399 S400 A401F359-D397 HydrophobicContact CD1-CB 4.37Å; F359-D397 HydrophobicContact CE1-CB 3.7Å; F359-D397 VanDerWaalsContact CE1-OD1 3.3Å; F359-D397 WeakPolarHBondContact CE1-OD1 3.5Å; F359-D397 HydrophobicContact CZ-CB 4.35Å; H363-D397 IonicContact CD2-OD1 3.93Å; H363-D397 IonicContact CE1-OD1 3.42Å; H363-D397 PolarHBondContact CE1-OD1 3.42Å; H363-D397 IonicContact NE2-OD1 3.13Å; H363-D397 PolarHBondContact NE2-OD1 2.76Å; I393-D397 PolarHBondContact O-N 3.33Å; D394-D397 PolarHBondContact O-N 2.81Å; D397-A399 PolarHBondContact O-N 2.99Å; D397-S400 PolarHBondContact O-N 2.77Å; D397-A401 WeakPolarHBondContact O-CB 3.44Å; D397-A401 PolarHBondContact O-N 3.2Å
398E96.5Very high92.3Very high46 Ų4633.6 Ų33.622%0.21518%0.18CC..Hα-helixtrans-65.5-38.5179.3-171.5179.3159.400112.1D394 S402 V542 R545D394-E398 WeakPolarHBondContact O-CB 3.41Å; D394-E398 PolarHBondContact O-N 2.98Å; E398-S402 WeakPolarHBondContact O-CB 3.45Å; E398-S402 PolarHBondContact O-N 3.24Å; E398-S402 PolarHBondContact O-OG 3.29Å; E398-V542 HydrophobicContact CB-CG1 4.05Å; E398-V542 VanDerWaalsContact CD-CG1 3.43Å; E398-V542 HydrophobicContact CG-CG1 3.95Å; E398-V542 HydrophobicContact CG-CG2 4.25Å; E398-V542 WeakPolarHBondContact OE2-CG1 3.29Å; E398-R545 IonicContact OE1-CZ 3.63Å; E398-R545 IonicContact OE1-NE 3.71Å; E398-R545 PolarHBondContact OE1-NE 3.07Å; E398-R545 IonicContact OE1-NH2 2.92Å; E398-R545 PolarHBondContact OE1-NH2 3.35Å
399A95.2Very high91.6Very high0 Ų036.4 Ų36.40%020%0.2CC..Hα-helixtrans-67.3-42.5175.400000111.6L395 V396 D397 S402 I403 V534 E538 I539 V542L395-A399 WeakPolarHBondContact O-CB 3.44Å; L395-A399 PolarHBondContact O-N 2.88Å; V396-A399 PolarHBondContact O-N 2.78Å; D397-A399 PolarHBondContact O-N 2.99Å; A399-S402 PolarHBondContact O-N 2.93Å; A399-I403 WeakPolarHBondContact O-CG1 3.46Å; A399-I403 PolarHBondContact O-N 3.22Å; A399-V534 HydrophobicContact CB-CG1 3.69Å; A399-E538 HydrophobicContact CB-CB 4.14Å; A399-I539 HydrophobicContact CB-CD1 3.75Å; A399-V542 HydrophobicContact CB-CG2 4.04Å
400S95.2Very high90.8Very high0 Ų039.7 Ų39.70%022%0.215CC..Hα-helixtrans-62.5-43.2174.3-71.20000112.2H363 V396 D397 I403 R404H363-S400 WeakPolarHBondContact CD2-CB 3.3Å; V396-S400 VanDerWaalsContact O-CB 3.31Å; V396-S400 WeakPolarHBondContact O-CB 3.49Å; V396-S400 PolarHBondContact O-N 2.82Å; V396-S400 PolarHBondContact O-OG 3.02Å; V396-S400 VanDerWaalsContact O-OG 3.07Å; D397-S400 PolarHBondContact O-N 2.77Å; S400-I403 PolarHBondContact O-N 3.36Å; S400-R404 WeakPolarHBondContact O-CB 3.43Å; S400-R404 PolarHBondContact O-N 3.42Å
401A92.9Very high90.1Very high37 Ų3737.9 Ų37.931%0.30621%0.207SC..Hα-helixtrans-64-40.8175.600000111.7D397 R404 V405D397-A401 WeakPolarHBondContact O-CB 3.44Å; D397-A401 PolarHBondContact O-N 3.2Å; A401-R404 PolarHBondContact O-N 2.95Å; A401-V405 WeakPolarHBondContact O-CG2 3.41Å; A401-V405 PolarHBondContact O-N 3.32Å
402S90.2Very high89.5Confident33 Ų3342.3 Ų42.323%0.23124%0.235CC..Hα-helixtrans-60.5-49.6177.2-61.10000111.1E398 A399 R404 V405 E406E398-S402 WeakPolarHBondContact O-CB 3.45Å; E398-S402 PolarHBondContact O-N 3.24Å; E398-S402 PolarHBondContact O-OG 3.29Å; A399-S402 PolarHBondContact O-N 2.93Å; S402-R404 VanDerWaalsContact C-N 3.33Å; S402-R404 PolarHBondContact O-N 3.17Å; S402-V405 PolarHBondContact O-N 3.34Å; S402-V405 VanDerWaalsContact O-N 3.16Å; S402-E406 PolarHBondContact O-N 2.98Å
403I88.1Confident88.9Confident2 Ų248.2 Ų48.21%0.0126%0.263CS..Hα-helixtrans-58.3-45.8174.6-70.5-57000110.9V365 A399 S400 V405 E406 M407 Q531 V534 E538V365-I403 HydrophobicContact CB-CG2 4.33Å; V365-I403 HydrophobicContact CG1-CB 4.23Å; V365-I403 HydrophobicContact CG1-CG2 3.69Å; A399-I403 WeakPolarHBondContact O-CG1 3.46Å; A399-I403 PolarHBondContact O-N 3.22Å; S400-I403 PolarHBondContact O-N 3.36Å; I403-V405 VanDerWaalsContact C-N 3.26Å; I403-V405 PolarHBondContact O-N 3.5Å; I403-E406 WeakPolarHBondContact O-CB 3.32Å; I403-E406 PolarHBondContact O-N 2.95Å; I403-E406 VanDerWaalsContact O-N 3.1Å; I403-M407 HydrophobicContact CG2-CG 4.16Å; I403-M407 HydrophobicContact CG2-SD 4.13Å; I403-M407 VanDerWaalsContact O-CG 3.25Å; I403-M407 WeakPolarHBondContact O-CG 3.39Å; I403-M407 PolarHBondContact O-N 2.96Å; I403-Q531 HydrophobicContact CD1-CG 4.11Å; I403-Q531 VanDerWaalsContact CG2-O 3.32Å; I403-Q531 WeakPolarHBondContact CG2-O 3.46Å; I403-V534 HydrophobicContact CB-CG2 4.41Å; I403-V534 HydrophobicContact CG1-CG2 3.97Å; I403-E538 HydrophobicContact CD1-CG 3.76Å; I403-E538 HydrophobicContact CG1-CG 4.05Å
404R87.3Confident88.4Confident72 Ų7246.4 Ų46.427%0.27225%0.253SS..Hα-helixtrans-60.4-34.9178.5-177.752.5164.4-159.73.6112.9H363 V365 S400 A401 S402 N408H363-R404 WeakPolarHBondContact O-CD 3.5Å; H363-R404 WeakPolarHBondContact O-CG 3.5Å; H363-R404 PolarHBondContact O-NE 2.68Å; H363-R404 PolarHBondContact O-NH1 3.2Å; V365-R404 HydrophobicContact CG1-CB 4.35Å; S400-R404 WeakPolarHBondContact O-CB 3.43Å; S400-R404 PolarHBondContact O-N 3.42Å; A401-R404 PolarHBondContact O-N 2.95Å; S402-R404 VanDerWaalsContact C-N 3.33Å; S402-R404 PolarHBondContact O-N 3.17Å; R404-N408 PolarHBondContact O-N 3.41Å; R404-N408 PolarHBondContact O-ND2 3.46Å
405V85.7Confident87.9Confident97 Ų9745.8 Ų45.859%0.58825%0.25SC*.Hα-helixtrans-69.2-42.9174.3170.90000111A401 S402 I403 N408 S409A401-V405 WeakPolarHBondContact O-CG2 3.41Å; A401-V405 PolarHBondContact O-N 3.32Å; S402-V405 PolarHBondContact O-N 3.34Å; S402-V405 VanDerWaalsContact O-N 3.16Å; I403-V405 VanDerWaalsContact C-N 3.26Å; I403-V405 PolarHBondContact O-N 3.5Å; V405-N408 PolarHBondContact O-N 3.49Å; V405-S409 PolarHBondContact O-N 3.23Å; V405-S409 VanDerWaalsContact O-N 3.13Å; V405-S409 PolarHBondContact O-OG 3.09Å
406E82.5Confident87.6Confident101 Ų10151.7 Ų51.747%0.47228%0.277SS..Hα-helixtrans-62.2-44.6176.6-71.4178.9-17700112.1S402 I403 N408 S409S402-E406 PolarHBondContact O-N 2.98Å; I403-E406 WeakPolarHBondContact O-CB 3.32Å; I403-E406 PolarHBondContact O-N 2.95Å; I403-E406 VanDerWaalsContact O-N 3.1Å; E406-N408 PolarHBondContact O-N 3.44Å; E406-S409 WeakPolarHBondContact O-CA 3.38Å; E406-S409 WeakPolarHBondContact O-CB 3.29Å; E406-S409 PolarHBondContact O-N 2.86Å
407M78.3Confident87.3Confident6 Ų652.5 Ų52.53%0.0328%0.282CS..Hα-helixtrans-60-32.2176.7-65.8-177.568.500113.6V365 I403 S409 V471 V530 Q531 E532V365-M407 HydrophobicContact CG1-SD 4.24Å; I403-M407 HydrophobicContact CG2-CG 4.16Å; I403-M407 HydrophobicContact CG2-SD 4.13Å; I403-M407 VanDerWaalsContact O-CG 3.25Å; I403-M407 WeakPolarHBondContact O-CG 3.39Å; I403-M407 PolarHBondContact O-N 2.96Å; M407-S409 VanDerWaalsContact C-N 3.31Å; M407-V471 HydrophobicContact CE-CB 3.85Å; M407-V471 HydrophobicContact CE-CG1 3.71Å; M407-V471 HydrophobicContact CE-CG2 3.68Å; M407-V530 HydrophobicContact CB-CG1 3.85Å; M407-V530 HydrophobicContact CE-CG1 3.66Å; M407-V530 HydrophobicContact CG-CG1 3.41Å; M407-V530 VanDerWaalsContact CG-CG1 3.41Å; M407-V530 HydrophobicContact SD-CG1 4.25Å; M407-Q531 WeakPolarHBondContact CG-O 3.49Å; M407-E532 HydrophobicContact CE-CB 3.99Å; M407-E532 HydrophobicContact SD-CB 4.05Å
408N78.2Confident86.9Confident74 Ų7451.9 Ų51.940%0.39628%0.281SS..Hα-helixtrans-85.3-8.6177.3-75.7-55000113R404 V405 E406 K468R404-N408 PolarHBondContact O-N 3.41Å; R404-N408 PolarHBondContact O-ND2 3.46Å; V405-N408 PolarHBondContact O-N 3.49Å; E406-N408 PolarHBondContact O-N 3.44Å; N408-K468 VanDerWaalsContact OD1-CE 3.29Å; N408-K468 WeakPolarHBondContact OD1-CE 3.43Å; N408-K468 PolarHBondContact OD1-NZ 2.74Å
409S80.2Confident86.7Confident59 Ų5957 Ų5741%0.41330%0.298SS..SBendtrans-92.6149.5176.6-58.80000110.1V405 E406 M407 P411 W464V405-S409 PolarHBondContact O-N 3.23Å; V405-S409 VanDerWaalsContact O-N 3.13Å; V405-S409 PolarHBondContact O-OG 3.09Å; E406-S409 WeakPolarHBondContact O-CA 3.38Å; E406-S409 WeakPolarHBondContact O-CB 3.29Å; E406-S409 PolarHBondContact O-N 2.86Å; M407-S409 VanDerWaalsContact C-N 3.31Å; S409-P411 WeakPolarHBondContact O-CD 3.25Å; S409-W464 VanDerWaalsContact O-CZ2 3.3Å; S409-W464 WeakPolarHBondContact O-CZ2 3.41Å
410M79.8Confident86.6Confident81 Ų8163.3 Ų63.340%0.39932%0.322SS..PPolyproline II helixtrans-66.3127.2175.4-171.3176.5-6900108.7L414 D415M410-L414 HydrophobicContact CG-CB 3.88Å; M410-L414 HydrophobicContact CG-CD2 3.8Å; M410-L414 HydrophobicContact CG-CG 3.66Å; M410-L414 HydrophobicContact SD-CB 4.46Å; M410-L414 HydrophobicContact SD-CD2 4.4Å; M410-L414 HydrophobicContact SD-CG 3.88Å; M410-D415 HydrophobicContact CB-CB 4.4Å; M410-D415 HydrophobicContact CG-CB 4.06Å; M410-D415 WeakPolarHBondContact SD-CA 3.38Å; M410-D415 HydrophobicContact SD-CB 3.89Å
411P82.6Confident86.6Confident27 Ų2764.3 Ų64.318%0.17533%0.327CS..PPolyproline II helixtrans-54.3144.5175.4-26.434000111.2S409 E413 L414 D415 W464 M529S409-P411 WeakPolarHBondContact O-CD 3.25Å; P411-E413 PolarHBondContact O-N 3.08Å; P411-E413 VanDerWaalsContact O-N 3.16Å; P411-L414 HydrophobicContact CB-CB 4.41Å; P411-L414 PolarHBondContact O-N 2.82Å; P411-D415 PolarHBondContact O-N 2.84Å; P411-W464 HydrophobicContact CG-CG 4.28Å; P411-M529 HydrophobicContact CG-CB 4.19Å
412T82Confident86.6Confident99 Ų9968.4 Ų68.461%0.60734%0.341SS*.Hα-helixtrans-54.7-39.1-175.5-520000112.6D415 Q416T412-D415 PolarHBondContact O-N 3.17Å; T412-Q416 WeakPolarHBondContact O-CB 3.47Å; T412-Q416 VanDerWaalsContact O-CG 3.22Å; T412-Q416 WeakPolarHBondContact O-CG 3.3Å; T412-Q416 PolarHBondContact O-N 3.21Å
413E84.4Confident86.8Confident124 Ų12473.2 Ų73.258%0.57936%0.36SS*.Hα-helixtrans-63.4-48.7176.9-62.3-180170.300111.3P411 D415 Q416 V417P411-E413 PolarHBondContact O-N 3.08Å; P411-E413 VanDerWaalsContact O-N 3.16Å; E413-D415 PolarHBondContact O-N 3.35Å; E413-Q416 PolarHBondContact O-N 3.04Å; E413-V417 VanDerWaalsContact O-CG2 3.3Å; E413-V417 WeakPolarHBondContact O-CG2 3.13Å; E413-V417 PolarHBondContact O-N 3.44Å
414L86.6Confident87.2Confident2 Ų273.8 Ų73.81%0.0136%0.363CS..Hα-helixtrans-64.2-39.8177.3179.657.9000111.6M410 P411 T418 T457 M460 K461 W464M410-L414 HydrophobicContact CG-CB 3.88Å; M410-L414 HydrophobicContact CG-CD2 3.8Å; M410-L414 HydrophobicContact CG-CG 3.66Å; M410-L414 HydrophobicContact SD-CB 4.46Å; M410-L414 HydrophobicContact SD-CD2 4.4Å; M410-L414 HydrophobicContact SD-CG 3.88Å; P411-L414 HydrophobicContact CB-CB 4.41Å; P411-L414 PolarHBondContact O-N 2.82Å; L414-T418 WeakPolarHBondContact O-CB 3.14Å; L414-T418 PolarHBondContact O-N 3.42Å; L414-T418 PolarHBondContact O-OG1 3.09Å; L414-T457 HydrophobicContact CD1-CG2 4.09Å; L414-M460 HydrophobicContact CD1-CB 3.79Å; L414-K461 HydrophobicContact CD1-CB 4.35Å; L414-K461 HydrophobicContact CD2-CB 4.35Å; L414-W464 HydrophobicContact CD2-CB 4.38Å; L414-W464 HydrophobicContact CD2-CD2 4.43Å; L414-W464 HydrophobicContact CD2-CE3 4.07Å
415D87.8Confident87.5Confident42 Ų4273.8 Ų73.823%0.22537%0.366CS..Hα-helixtrans-64.6-42.1176.5178.953.5000111.6M410 P411 T412 E413 T418 R419M410-D415 HydrophobicContact CB-CB 4.4Å; M410-D415 HydrophobicContact CG-CB 4.06Å; M410-D415 WeakPolarHBondContact SD-CA 3.38Å; M410-D415 HydrophobicContact SD-CB 3.89Å; P411-D415 PolarHBondContact O-N 2.84Å; T412-D415 PolarHBondContact O-N 3.17Å; E413-D415 PolarHBondContact O-N 3.35Å; D415-T418 PolarHBondContact O-N 2.86Å; D415-R419 VanDerWaalsContact CG-NE 3.3Å; D415-R419 WeakPolarHBondContact O-CB 3.4Å; D415-R419 VanDerWaalsContact O-CG 3.22Å; D415-R419 WeakPolarHBondContact O-CG 3.4Å; D415-R419 PolarHBondContact O-N 3.28Å; D415-R419 IonicContact OD1-CZ 3.08Å; D415-R419 IonicContact OD1-NE 2.68Å; D415-R419 PolarHBondContact OD1-NE 3.2Å; D415-R419 IonicContact OD1-NH2 2.78Å; D415-R419 PolarHBondContact OD1-NH2 3.38Å; D415-R419 IonicContact OD2-CZ 2.86Å; D415-R419 IonicContact OD2-NE 3.9Å; D415-R419 PolarHBondContact OD2-NE 3.05Å; D415-R419 IonicContact OD2-NH1 3.59Å; D415-R419 IonicContact OD2-NH2 3.06Å; D415-R419 PolarHBondContact OD2-NH2 2.91Å
416Q90.8Very high87.9Confident124 Ų12474.2 Ų74.258%0.57936%0.364SS*.Hα-helixtrans-62.2-48.5175.8-75.8175.36.700112.3T412 E413 R419 R420T412-Q416 WeakPolarHBondContact O-CB 3.47Å; T412-Q416 VanDerWaalsContact O-CG 3.22Å; T412-Q416 WeakPolarHBondContact O-CG 3.3Å; T412-Q416 PolarHBondContact O-N 3.21Å; E413-Q416 PolarHBondContact O-N 3.04Å; Q416-R419 PolarHBondContact O-N 3.31Å; Q416-R420 WeakPolarHBondContact O-CB 3.34Å; Q416-R420 PolarHBondContact O-N 3.48Å
417V90.8Very high88.4Confident19 Ų1972.4 Ų72.412%0.11536%0.356CS..Hα-helixtrans-64.4-42.6178.6178.10000110.1E413 R419 R420 L421 L453 E456 T457 M460E413-V417 VanDerWaalsContact O-CG2 3.3Å; E413-V417 WeakPolarHBondContact O-CG2 3.13Å; E413-V417 PolarHBondContact O-N 3.44Å; V417-R419 PolarHBondContact O-N 3.06Å; V417-R420 PolarHBondContact O-N 3.26Å; V417-L421 WeakPolarHBondContact O-CB 3.49Å; V417-L421 PolarHBondContact O-N 3.3Å; V417-L453 HydrophobicContact CG1-CD1 3.58Å; V417-L453 HydrophobicContact CG1-CG 4.05Å; V417-E456 HydrophobicContact CG1-CG 4.46Å; V417-T457 WeakPolarHBondContact CG1-OG1 3.21Å; V417-M460 HydrophobicContact CG2-SD 4.22Å
418T90Very high89.2Confident45 Ų4573.1 Ų73.128%0.27636%0.359SS..Hα-helixtrans-63.8-42177.9-57.20000112L414 D415 L421 M422L414-T418 WeakPolarHBondContact O-CB 3.14Å; L414-T418 PolarHBondContact O-N 3.42Å; L414-T418 PolarHBondContact O-OG1 3.09Å; D415-T418 PolarHBondContact O-N 2.86Å; T418-L421 PolarHBondContact O-N 3.05Å; T418-M422 PolarHBondContact O-N 3.21Å
419R92Very high89.9Confident154 Ų15472 Ų7258%0.58136%0.36SS*.Hα-helixtrans-65.1-42.3175.4-75176.6-168.1-170.25.9111.7D415 Q416 V417 L421 M422 Q423D415-R419 VanDerWaalsContact CG-NE 3.3Å; D415-R419 WeakPolarHBondContact O-CB 3.4Å; D415-R419 VanDerWaalsContact O-CG 3.22Å; D415-R419 WeakPolarHBondContact O-CG 3.4Å; D415-R419 PolarHBondContact O-N 3.28Å; D415-R419 IonicContact OD1-CZ 3.08Å; D415-R419 IonicContact OD1-NE 2.68Å; D415-R419 PolarHBondContact OD1-NE 3.2Å; D415-R419 IonicContact OD1-NH2 2.78Å; D415-R419 PolarHBondContact OD1-NH2 3.38Å; D415-R419 IonicContact OD2-CZ 2.86Å; D415-R419 IonicContact OD2-NE 3.9Å; D415-R419 PolarHBondContact OD2-NE 3.05Å; D415-R419 IonicContact OD2-NH1 3.59Å; D415-R419 IonicContact OD2-NH2 3.06Å; D415-R419 PolarHBondContact OD2-NH2 2.91Å; Q416-R419 PolarHBondContact O-N 3.31Å; V417-R419 PolarHBondContact O-N 3.06Å; R419-L421 VanDerWaalsContact C-N 3.33Å; R419-M422 PolarHBondContact O-N 2.78Å; R419-Q423 WeakPolarHBondContact O-CG 3.14Å; R419-Q423 PolarHBondContact O-N 2.91Å
420R94Very high90.4Very high131 Ų13171.6 Ų71.649%0.49436%0.36SS..Hα-helixtrans-62.2-42.7175.4-174.5176178.6170-3.3111Q416 V417 M422 Q423 L424 E449 L453Q416-R420 WeakPolarHBondContact O-CB 3.34Å; Q416-R420 PolarHBondContact O-N 3.48Å; V417-R420 PolarHBondContact O-N 3.26Å; R420-M422 PolarHBondContact O-N 3.41Å; R420-Q423 PolarHBondContact O-N 3.18Å; R420-L424 HydrophobicContact CG-CD1 4.39Å; R420-L424 WeakPolarHBondContact O-CG 3.31Å; R420-L424 PolarHBondContact O-N 3.24Å; R420-E449 IonicContact CZ-OE1 2.75Å; R420-E449 IonicContact NE-OE1 3.03Å; R420-E449 IonicContact NH2-OE1 3.55Å; R420-E449 PolarHBondContact NH2-OE1 2.86Å; R420-L453 HydrophobicContact CB-CD2 4.09Å; R420-L453 HydrophobicContact CG-CD2 3.83Å
421L94.2Very high91Very high21 Ų2168.6 Ų68.611%0.1135%0.346CS..Hα-helixtrans-58.8-49.1175.617763.2000111V417 T418 R419 Q423 L424 E425 L450 L453 R454 T457V417-L421 WeakPolarHBondContact O-CB 3.49Å; V417-L421 PolarHBondContact O-N 3.3Å; T418-L421 PolarHBondContact O-N 3.05Å; R419-L421 VanDerWaalsContact C-N 3.33Å; L421-Q423 VanDerWaalsContact C-N 3.32Å; L421-Q423 PolarHBondContact O-N 3.24Å; L421-L424 PolarHBondContact O-N 3.11Å; L421-E425 HydrophobicContact CD1-CG 4.25Å; L421-E425 WeakPolarHBondContact O-CG 3.36Å; L421-E425 PolarHBondContact O-N 3.39Å; L421-L450 HydrophobicContact CD1-CD2 3.56Å; L421-L453 HydrophobicContact CB-CD2 3.82Å; L421-L453 HydrophobicContact CB-CG 4.26Å; L421-L453 HydrophobicContact CD1-CB 4.47Å; L421-L453 HydrophobicContact CD1-CD2 4.32Å; L421-R454 HydrophobicContact CD1-CG 3.57Å; L421-R454 HydrophobicContact CD2-CG 4.11Å; L421-R454 HydrophobicContact CG-CG 4.49Å; L421-T457 HydrophobicContact CD2-CG2 4.17Å
422M93.3Very high91.4Very high123 Ų12372.8 Ų72.861%0.60636%0.361SS*.Hα-helixtrans-59.2-41.7177.5-174.3179.7-179.400112.4T418 R419 R420 E425 I426T418-M422 PolarHBondContact O-N 3.21Å; R419-M422 PolarHBondContact O-N 2.78Å; R420-M422 PolarHBondContact O-N 3.41Å; M422-E425 PolarHBondContact O-N 2.9Å; M422-I426 HydrophobicContact CE-CD1 4.5Å; M422-I426 HydrophobicContact CG-CD1 4.29Å; M422-I426 VanDerWaalsContact O-CG1 3.3Å; M422-I426 WeakPolarHBondContact O-CG1 3.29Å; M422-I426 PolarHBondContact O-N 2.96Å; M422-I426 VanDerWaalsContact O-N 3.12Å
423Q94.8Very high91.9Very high135 Ų13576.9 Ų76.963%0.63137%0.371SS*.Hα-helixtrans-61.9-46.8176.8-74.9177.6-3.300112R419 R420 L421 E425 I426 E427R419-Q423 WeakPolarHBondContact O-CG 3.14Å; R419-Q423 PolarHBondContact O-N 2.91Å; R420-Q423 PolarHBondContact O-N 3.18Å; L421-Q423 VanDerWaalsContact C-N 3.32Å; L421-Q423 PolarHBondContact O-N 3.24Å; Q423-E425 VanDerWaalsContact C-N 3.35Å; Q423-E425 PolarHBondContact O-N 2.85Å; Q423-I426 PolarHBondContact O-N 3.12Å; Q423-E427 PolarHBondContact O-N 2.93Å
424L95.3Very high92.1Very high14 Ų1475.8 Ų75.87%0.07337%0.365CS..Hα-helixtrans-67.4-34.3178.8-67.9178000112.1R420 L421 I426 E427 E428 L446 E449 L450 L453R420-L424 HydrophobicContact CG-CD1 4.39Å; R420-L424 WeakPolarHBondContact O-CG 3.31Å; R420-L424 PolarHBondContact O-N 3.24Å; L421-L424 PolarHBondContact O-N 3.11Å; L424-I426 VanDerWaalsContact C-N 3.33Å; L424-I426 PolarHBondContact O-N 3.01Å; L424-E427 PolarHBondContact O-N 3.05Å; L424-E428 PolarHBondContact O-N 3.23Å; L424-L446 HydrophobicContact CD2-CD1 4.02Å; L424-L446 HydrophobicContact CD2-CG 4.47Å; L424-E449 HydrophobicContact CD1-CG 3.89Å; L424-L450 HydrophobicContact CB-CD2 3.48Å; L424-L450 VanDerWaalsContact CB-CD2 3.48Å; L424-L450 HydrophobicContact CB-CG 4.03Å; L424-L450 HydrophobicContact CD1-CD2 4.48Å; L424-L453 HydrophobicContact CD1-CD2 3.91Å
425E95Very high92Very high71 Ų7180.4 Ų80.433%0.33240%0.398SS..Hα-helixtrans-65.5-35.9174.8-74.2-173155.100112.3L421 M422 Q423 E428 A429 L450 R454L421-E425 HydrophobicContact CD1-CG 4.25Å; L421-E425 WeakPolarHBondContact O-CG 3.36Å; L421-E425 PolarHBondContact O-N 3.39Å; M422-E425 PolarHBondContact O-N 2.9Å; Q423-E425 VanDerWaalsContact C-N 3.35Å; Q423-E425 PolarHBondContact O-N 2.85Å; E425-E428 WeakPolarHBondContact O-CB 3.06Å; E425-E428 PolarHBondContact O-N 3.04Å; E425-A429 PolarHBondContact O-N 3.47Å; E425-L450 HydrophobicContact CG-CD1 4.46Å; E425-L450 HydrophobicContact CG-CD2 3.77Å; E425-R454 IonicContact OE1-CZ 2.69Å; E425-R454 IonicContact OE1-NE 3.47Å; E425-R454 PolarHBondContact OE1-NE 3.08Å; E425-R454 VanDerWaalsContact OE1-NE 3.13Å; E425-R454 IonicContact OE1-NH2 3.26Å; E425-R454 PolarHBondContact OE1-NH2 2.92Å
426I93.2Very high92.1Very high106 Ų10681.7 Ų81.754%0.54441%0.405SS..Hα-helixtrans-66.1-43.7172.9-66.9164.3000110.4M422 Q423 L424 E428 A429 A430M422-I426 HydrophobicContact CE-CD1 4.5Å; M422-I426 HydrophobicContact CG-CD1 4.29Å; M422-I426 VanDerWaalsContact O-CG1 3.3Å; M422-I426 WeakPolarHBondContact O-CG1 3.29Å; M422-I426 PolarHBondContact O-N 2.96Å; M422-I426 VanDerWaalsContact O-N 3.12Å; Q423-I426 PolarHBondContact O-N 3.12Å; L424-I426 VanDerWaalsContact C-N 3.33Å; L424-I426 PolarHBondContact O-N 3.01Å; I426-E428 VanDerWaalsContact C-N 3.34Å; I426-A429 PolarHBondContact O-N 2.67Å; I426-A430 PolarHBondContact O-N 3.01Å
427E93.3Very high91.8Very high64 Ų6481.9 Ų81.930%0.29941%0.41SS..Hα-helixtrans-61.8-41.8175.4-170.5-176.616200111Q423 L424 A429 A430 L431 R442 L446Q423-E427 PolarHBondContact O-N 2.93Å; L424-E427 PolarHBondContact O-N 3.05Å; E427-A429 VanDerWaalsContact C-N 3.34Å; E427-A429 PolarHBondContact O-N 3.2Å; E427-A430 WeakPolarHBondContact O-CB 3.3Å; E427-A430 PolarHBondContact O-N 3.42Å; E427-A430 VanDerWaalsContact O-N 3.16Å; E427-L431 HydrophobicContact CG-CD1 3.89Å; E427-L431 HydrophobicContact CG-CG 4.33Å; E427-L431 WeakPolarHBondContact O-CB 3.43Å; E427-L431 WeakPolarHBondContact O-CG 3.25Å; E427-L431 PolarHBondContact O-N 3.39Å; E427-R442 IonicContact OE1-CZ 2.69Å; E427-R442 VanDerWaalsContact OE1-CZ 3.28Å; E427-R442 IonicContact OE1-NE 3.8Å; E427-R442 PolarHBondContact OE1-NE 3.27Å; E427-R442 IonicContact OE1-NH2 2.73Å; E427-R442 PolarHBondContact OE1-NH2 3.2Å; E427-R442 IonicContact OE2-NH2 3.36Å; E427-R442 PolarHBondContact OE2-NH2 3.43Å; E427-L446 HydrophobicContact CB-CD1 3.77Å; E427-L446 HydrophobicContact CG-CD1 3.53Å; E427-L446 WeakPolarHBondContact OE1-CD1 3.41Å; E427-L446 WeakPolarHBondContact OE2-CD1 3.21Å
428E95.2Very high91.6Very high21 Ų2184.5 Ų84.510%0.09843%0.433CS..Hα-helixtrans-57.8-46.2174.3-159.8-156.8-173.600111.7L424 E425 I426 A430 L431 K432 L443 L446 Q447 L450L424-E428 PolarHBondContact O-N 3.23Å; E425-E428 WeakPolarHBondContact O-CB 3.06Å; E425-E428 PolarHBondContact O-N 3.04Å; I426-E428 VanDerWaalsContact C-N 3.34Å; E428-A430 VanDerWaalsContact C-N 3.26Å; E428-A430 PolarHBondContact O-N 2.78Å; E428-L431 PolarHBondContact O-N 2.94Å; E428-K432 VanDerWaalsContact CD-CE 3.46Å; E428-K432 HydrophobicContact CG-CD 4.39Å; E428-K432 WeakPolarHBondContact O-CB 3.35Å; E428-K432 VanDerWaalsContact O-CG 3.29Å; E428-K432 WeakPolarHBondContact O-CG 3.48Å; E428-K432 PolarHBondContact O-N 2.87Å; E428-K432 WeakPolarHBondContact OE1-CE 3.43Å; E428-K432 IonicContact OE1-NZ 3.17Å; E428-K432 PolarHBondContact OE1-NZ 3.48Å; E428-K432 IonicContact OE2-NZ 2.85Å; E428-K432 PolarHBondContact OE2-NZ 3.44Å; E428-L443 HydrophobicContact CG-CD1 3.61Å; E428-L446 HydrophobicContact CB-CD2 3.53Å; E428-L446 HydrophobicContact CG-CD2 3.83Å; E428-Q447 HydrophobicContact CG-CG 4.36Å; E428-Q447 WeakPolarHBondContact OE1-CG 3.27Å; E428-Q447 PolarHBondContact OE1-NE2 2.89Å; E428-L450 HydrophobicContact CB-CD1 3.8Å; E428-L450 HydrophobicContact CG-CD1 3.93Å
429A92.7Very high91.4Very high50 Ų5083 Ų8341%0.41342%0.424SS..Hα-helixtrans-66-29.6179.700000112.7E425 I426 E427E425-A429 PolarHBondContact O-N 3.47Å; I426-A429 PolarHBondContact O-N 2.67Å; E427-A429 VanDerWaalsContact C-N 3.34Å; E427-A429 PolarHBondContact O-N 3.2Å
430A91.5Very high91.2Very high51 Ų5180.4 Ų80.442%0.42142%0.418SS..Hα-helixtrans-73.9-51.6173.300000111.3I426 E427 E428 K432 K433I426-A430 PolarHBondContact O-N 3.01Å; E427-A430 WeakPolarHBondContact O-CB 3.3Å; E427-A430 PolarHBondContact O-N 3.42Å; E427-A430 VanDerWaalsContact O-N 3.16Å; E428-A430 VanDerWaalsContact C-N 3.26Å; E428-A430 PolarHBondContact O-N 2.78Å; A430-K432 VanDerWaalsContact C-N 3.3Å; A430-K432 PolarHBondContact O-N 3.44Å; A430-K433 WeakPolarHBondContact O-CB 3.07Å; A430-K433 PolarHBondContact O-N 2.89Å
431L91.6Very high91Very high17 Ų1780.7 Ų80.79%0.08942%0.422CS..Hα-helixtrans-63.3-32-178.3-71.2169.9000113.1E427 E428 K433 E434 R442 L443 L446E427-L431 HydrophobicContact CG-CD1 3.89Å; E427-L431 HydrophobicContact CG-CG 4.33Å; E427-L431 WeakPolarHBondContact O-CB 3.43Å; E427-L431 WeakPolarHBondContact O-CG 3.25Å; E427-L431 PolarHBondContact O-N 3.39Å; E428-L431 PolarHBondContact O-N 2.94Å; L431-K433 PolarHBondContact O-N 3.37Å; L431-K433 VanDerWaalsContact O-N 3.09Å; L431-E434 PolarHBondContact O-N 2.68Å; L431-R442 HydrophobicContact CD1-CB 4.28Å; L431-R442 HydrophobicContact CD1-CG 3.61Å; L431-R442 HydrophobicContact CD2-CG 4.29Å; L431-L443 HydrophobicContact CB-CB 4.2Å; L431-L443 HydrophobicContact CB-CD1 4.05Å; L431-L446 HydrophobicContact CD1-CD1 4.12Å
432K91.6Very high90.8Very high116 Ų11684.6 Ų84.650%0.50444%0.436SS..THydrogen-bonded Turntrans-58.8-18.7172.8-82.3172.3178.7162.80113.9E428 A430 L443E428-K432 VanDerWaalsContact CD-CE 3.46Å; E428-K432 HydrophobicContact CG-CD 4.39Å; E428-K432 WeakPolarHBondContact O-CB 3.35Å; E428-K432 VanDerWaalsContact O-CG 3.29Å; E428-K432 WeakPolarHBondContact O-CG 3.48Å; E428-K432 PolarHBondContact O-N 2.87Å; E428-K432 WeakPolarHBondContact OE1-CE 3.43Å; E428-K432 IonicContact OE1-NZ 3.17Å; E428-K432 PolarHBondContact OE1-NZ 3.48Å; E428-K432 IonicContact OE2-NZ 2.85Å; E428-K432 PolarHBondContact OE2-NZ 3.44Å; A430-K432 VanDerWaalsContact C-N 3.3Å; A430-K432 PolarHBondContact O-N 3.44Å; K432-L443 HydrophobicContact CG-CD1 4.12Å; K432-L443 HydrophobicContact CG-CD2 4.05Å
433K90.9Very high90.7Very high185 Ų18580 Ų8080%0.80441%0.414SS*.THydrogen-bonded Turntrans-93.8-6.7177.4-61.3176-175.9171.30113A430 L431A430-K433 WeakPolarHBondContact O-CB 3.07Å; A430-K433 PolarHBondContact O-N 2.89Å; L431-K433 PolarHBondContact O-N 3.37Å; L431-K433 VanDerWaalsContact O-N 3.09Å
434E90.2Very high90.6Very high100 Ų10079.9 Ų79.947%0.46741%0.413SS..  trans-95.2152.2-179.5-60-163.4170.400111.2L431 S439L431-E434 PolarHBondContact O-N 2.68Å; E434-S439 VanDerWaalsContact OE2-CB 3.23Å; E434-S439 WeakPolarHBondContact OE2-CB 3.44Å; E434-S439 PolarHBondContact OE2-OG 2.94Å
435S83.9Confident90.4Very high99 Ų9983.2 Ų83.269%0.69243%0.431SS*.  trans-120.3-13.2-169.960.90000114.7K440S435-K440 VanDerWaalsContact O-CE 3.29Å; S435-K440 WeakPolarHBondContact O-CE 3.36Å; S435-K440 PolarHBondContact O-NZ 2.85Å; S435-K440 VanDerWaalsContact O-NZ 3.15Å
436D89.3Confident90.3Very high70 Ų7079.9 Ų79.937%0.37442%0.415SS..SBendtrans-73.3157.6179.364.9-75.9000111.9A438 S439 K440D436-A438 VanDerWaalsContact C-N 3.29Å; D436-A438 PolarHBondContact O-N 3.32Å; D436-A438 WeakPolarHBondContact OD2-CB 3.3Å; D436-A438 PolarHBondContact OD2-N 3.35Å; D436-S439 PolarHBondContact O-N 3.44Å; D436-S439 WeakPolarHBondContact OD1-CB 3.37Å; D436-S439 PolarHBondContact OD1-OG 3.43Å; D436-S439 VanDerWaalsContact OD1-OG 3.14Å; D436-S439 PolarHBondContact OD2-N 3.39Å; D436-S439 PolarHBondContact OD2-OG 2.81Å; D436-K440 PolarHBondContact O-N 2.65Å; D436-K440 VanDerWaalsContact O-N 3.16Å
437D85.7Confident90.3Very high128 Ų12878.7 Ų78.768%0.68441%0.408SS*.Hα-helixtrans-69.9-26.9-173.5-73-11.3000112.8K440 K441D437-K440 IonicContact OD1-NZ 2.72Å; D437-K441 PolarHBondContact O-N 3.18Å; D437-K441 VanDerWaalsContact O-N 3.12Å
438A86.8Confident90.3Very high73 Ų7382 Ų8260%0.60342%0.423SS*.Hα-helixtrans-69.1-45.8177.500000110.5D436 K440 K441 R442D436-A438 VanDerWaalsContact C-N 3.29Å; D436-A438 PolarHBondContact O-N 3.32Å; D436-A438 WeakPolarHBondContact OD2-CB 3.3Å; D436-A438 PolarHBondContact OD2-N 3.35Å; A438-K440 PolarHBondContact O-N 2.97Å; A438-K441 PolarHBondContact O-N 3.41Å; A438-R442 PolarHBondContact O-N 2.85Å
439S85.4Confident90.2Very high13 Ų1383.9 Ų83.99%0.09143%0.432CS..Hα-helixtrans-67-34.6177.9-62.60000113.2E434 D436 R442 L443E434-S439 VanDerWaalsContact OE2-CB 3.23Å; E434-S439 WeakPolarHBondContact OE2-CB 3.44Å; E434-S439 PolarHBondContact OE2-OG 2.94Å; D436-S439 PolarHBondContact O-N 3.44Å; D436-S439 WeakPolarHBondContact OD1-CB 3.37Å; D436-S439 PolarHBondContact OD1-OG 3.43Å; D436-S439 VanDerWaalsContact OD1-OG 3.14Å; D436-S439 PolarHBondContact OD2-N 3.39Å; D436-S439 PolarHBondContact OD2-OG 2.81Å; S439-R442 PolarHBondContact O-N 2.83Å; S439-L443 VanDerWaalsContact O-CB 3.25Å; S439-L443 WeakPolarHBondContact O-CB 3.27Å; S439-L443 PolarHBondContact O-N 3.32Å
440K88.1Confident90.3Very high101 Ų10181.6 Ų81.644%0.43941%0.412SS..Hα-helixtrans-62.8-44.8170.8-72.1175.9-169.3154.90112.5S435 D436 D437 A438 L443 E444S435-K440 VanDerWaalsContact O-CE 3.29Å; S435-K440 WeakPolarHBondContact O-CE 3.36Å; S435-K440 PolarHBondContact O-NZ 2.85Å; S435-K440 VanDerWaalsContact O-NZ 3.15Å; D436-K440 PolarHBondContact O-N 2.65Å; D436-K440 VanDerWaalsContact O-N 3.16Å; D437-K440 IonicContact OD1-NZ 2.72Å; A438-K440 PolarHBondContact O-N 2.97Å; K440-L443 WeakPolarHBondContact O-CB 3.28Å; K440-L443 PolarHBondContact O-N 3.44Å; K440-E444 PolarHBondContact O-N 3.19Å
441K89.6Confident90.4Very high137 Ų13781.7 Ų81.760%0.59641%0.414SS*.Hα-helixtrans-66.9-39.1178.1-170.9178.2-178.9-178.10111.9D437 A438 L443 E444 N445D437-K441 PolarHBondContact O-N 3.18Å; D437-K441 VanDerWaalsContact O-N 3.12Å; A438-K441 PolarHBondContact O-N 3.41Å; K441-L443 VanDerWaalsContact C-N 3.33Å; K441-E444 PolarHBondContact O-N 2.74Å; K441-N445 PolarHBondContact O-N 2.85Å
442R90.3Very high90.4Very high102 Ų10285.8 Ų85.839%0.38544%0.435SS..Hα-helixtrans-62.9-42.1172.817860.9178.8163.63110.8E427 L431 A438 S439 N445 L446E427-R442 IonicContact OE1-CZ 2.69Å; E427-R442 VanDerWaalsContact OE1-CZ 3.28Å; E427-R442 IonicContact OE1-NE 3.8Å; E427-R442 PolarHBondContact OE1-NE 3.27Å; E427-R442 IonicContact OE1-NH2 2.73Å; E427-R442 PolarHBondContact OE1-NH2 3.2Å; E427-R442 IonicContact OE2-NH2 3.36Å; E427-R442 PolarHBondContact OE2-NH2 3.43Å; L431-R442 HydrophobicContact CD1-CB 4.28Å; L431-R442 HydrophobicContact CD1-CG 3.61Å; L431-R442 HydrophobicContact CD2-CG 4.29Å; A438-R442 PolarHBondContact O-N 2.85Å; S439-R442 PolarHBondContact O-N 2.83Å; R442-N445 PolarHBondContact O-N 3.04Å; R442-L446 WeakPolarHBondContact O-CB 3.42Å; R442-L446 PolarHBondContact O-N 3.28Å
443L91.1Very high90.5Very high28 Ų2880.9 Ų80.915%0.14742%0.415CS..Hα-helixtrans-60.4-44.8176.3-179.864.4000111.8E428 L431 K432 S439 K440 K441 L446 Q447E428-L443 HydrophobicContact CG-CD1 3.61Å; L431-L443 HydrophobicContact CB-CB 4.2Å; L431-L443 HydrophobicContact CB-CD1 4.05Å; K432-L443 HydrophobicContact CG-CD1 4.12Å; K432-L443 HydrophobicContact CG-CD2 4.05Å; S439-L443 VanDerWaalsContact O-CB 3.25Å; S439-L443 WeakPolarHBondContact O-CB 3.27Å; S439-L443 PolarHBondContact O-N 3.32Å; K440-L443 WeakPolarHBondContact O-CB 3.28Å; K440-L443 PolarHBondContact O-N 3.44Å; K441-L443 VanDerWaalsContact C-N 3.33Å; L443-L446 PolarHBondContact O-N 2.63Å; L443-Q447 HydrophobicContact CD1-CG 4.21Å; L443-Q447 HydrophobicContact CG-CG 4.49Å; L443-Q447 WeakPolarHBondContact O-CB 3.33Å; L443-Q447 VanDerWaalsContact O-CG 3.24Å; L443-Q447 WeakPolarHBondContact O-CG 3.14Å; L443-Q447 PolarHBondContact O-N 3.28Å
444E91.3Very high90.7Very high131 Ų13176.7 Ų76.761%0.61239%0.394SS*.Hα-helixtrans-58.8-50.8176.5-74.6175.4178.900111.8K440 K441 L446 Q447 E448K440-E444 PolarHBondContact O-N 3.19Å; K441-E444 PolarHBondContact O-N 2.74Å; E444-L446 VanDerWaalsContact C-N 3.33Å; E444-L446 PolarHBondContact O-N 3.46Å; E444-Q447 PolarHBondContact O-N 3.41Å; E444-E448 PolarHBondContact O-N 3.13Å
445N92.5Very high90.9Very high85 Ų8578.8 Ų78.846%0.45540%0.404SS..Hα-helixtrans-63.1-40177.9-69.6-3.1000112.1K441 R442 Q447 E448 E449K441-N445 PolarHBondContact O-N 2.85Å; R442-N445 PolarHBondContact O-N 3.04Å; N445-Q447 VanDerWaalsContact C-N 3.3Å; N445-Q447 PolarHBondContact O-N 3.46Å; N445-E448 PolarHBondContact O-N 3.22Å; N445-E449 PolarHBondContact O-N 2.99Å
446L92.6Very high91.2Very high0 Ų078.4 Ų78.40%039%0.391CS..Hα-helixtrans-68.6-32.2179.8-177.2142.4000111.6L424 E427 E428 L431 R442 L443 E444 E449 L450L424-L446 HydrophobicContact CD2-CD1 4.02Å; L424-L446 HydrophobicContact CD2-CG 4.47Å; E427-L446 HydrophobicContact CB-CD1 3.77Å; E427-L446 HydrophobicContact CG-CD1 3.53Å; E427-L446 WeakPolarHBondContact OE1-CD1 3.41Å; E427-L446 WeakPolarHBondContact OE2-CD1 3.21Å; E428-L446 HydrophobicContact CB-CD2 3.53Å; E428-L446 HydrophobicContact CG-CD2 3.83Å; L431-L446 HydrophobicContact CD1-CD1 4.12Å; R442-L446 WeakPolarHBondContact O-CB 3.42Å; R442-L446 PolarHBondContact O-N 3.28Å; L443-L446 PolarHBondContact O-N 2.63Å; E444-L446 VanDerWaalsContact C-N 3.33Å; E444-L446 PolarHBondContact O-N 3.46Å; L446-E449 PolarHBondContact O-N 3.2Å; L446-L450 HydrophobicContact CD2-CD1 3.53Å; L446-L450 HydrophobicContact CD2-CG 4.01Å; L446-L450 VanDerWaalsContact O-CB 3.28Å; L446-L450 WeakPolarHBondContact O-CB 3.45Å; L446-L450 VanDerWaalsContact O-CG 3.31Å; L446-L450 WeakPolarHBondContact O-CG 3.44Å; L446-L450 PolarHBondContact O-N 3.19Å
447Q93.3Very high91.3Very high82 Ų8275.5 Ų75.538%0.38338%0.376SS..Hα-helixtrans-68.7-34.9174-78.3179.9-22.400112.6E428 L443 E444 N445 A451E428-Q447 HydrophobicContact CG-CG 4.36Å; E428-Q447 WeakPolarHBondContact OE1-CG 3.27Å; E428-Q447 PolarHBondContact OE1-NE2 2.89Å; L443-Q447 HydrophobicContact CD1-CG 4.21Å; L443-Q447 HydrophobicContact CG-CG 4.49Å; L443-Q447 WeakPolarHBondContact O-CB 3.33Å; L443-Q447 VanDerWaalsContact O-CG 3.24Å; L443-Q447 WeakPolarHBondContact O-CG 3.14Å; L443-Q447 PolarHBondContact O-N 3.28Å; E444-Q447 PolarHBondContact O-N 3.41Å; N445-Q447 VanDerWaalsContact C-N 3.3Å; N445-Q447 PolarHBondContact O-N 3.46Å; Q447-A451 WeakPolarHBondContact O-CB 3.39Å; Q447-A451 PolarHBondContact O-N 3.02Å
448E93Very high91.6Very high134 Ų13474.4 Ų74.463%0.62637%0.37SS*.Hα-helixtrans-64.9-50171.1-168.3173.4-166.500110.5E444 N445 L450 A451 D452E444-E448 PolarHBondContact O-N 3.13Å; N445-E448 PolarHBondContact O-N 3.22Å; E448-L450 VanDerWaalsContact C-N 3.33Å; E448-L450 PolarHBondContact O-N 3.15Å; E448-A451 WeakPolarHBondContact O-CB 3.32Å; E448-A451 PolarHBondContact O-N 3.49Å; E448-D452 PolarHBondContact O-N 3.5Å; E448-D452 VanDerWaalsContact O-N 3.15Å
449E93Very high91.7Very high60 Ų6073.7 Ų73.728%0.2836%0.364SS..Hα-helixtrans-59.9-40.3176.6-170.4176.7178.700112.3R420 L424 N445 L446 A451 L453R420-E449 IonicContact CZ-OE1 2.75Å; R420-E449 IonicContact NE-OE1 3.03Å; R420-E449 IonicContact NH2-OE1 3.55Å; R420-E449 PolarHBondContact NH2-OE1 2.86Å; L424-E449 HydrophobicContact CD1-CG 3.89Å; N445-E449 PolarHBondContact O-N 2.99Å; L446-E449 PolarHBondContact O-N 3.2Å; E449-A451 VanDerWaalsContact C-N 3.34Å; E449-L453 VanDerWaalsContact O-CB 3.27Å; E449-L453 WeakPolarHBondContact O-CB 3.49Å; E449-L453 PolarHBondContact O-N 2.93Å
450L94.1Very high91.9Very high1 Ų174.6 Ų74.61%0.00537%0.367CS..Hα-helixtrans-64.6-36.1174.6-84.4178.8000112.8L421 L424 E425 E428 L446 E448 R454L421-L450 HydrophobicContact CD1-CD2 3.56Å; L424-L450 HydrophobicContact CB-CD2 3.48Å; L424-L450 VanDerWaalsContact CB-CD2 3.48Å; L424-L450 HydrophobicContact CB-CG 4.03Å; L424-L450 HydrophobicContact CD1-CD2 4.48Å; E425-L450 HydrophobicContact CG-CD1 4.46Å; E425-L450 HydrophobicContact CG-CD2 3.77Å; E428-L450 HydrophobicContact CB-CD1 3.8Å; E428-L450 HydrophobicContact CG-CD1 3.93Å; L446-L450 HydrophobicContact CD2-CD1 3.53Å; L446-L450 HydrophobicContact CD2-CG 4.01Å; L446-L450 VanDerWaalsContact O-CB 3.28Å; L446-L450 WeakPolarHBondContact O-CB 3.45Å; L446-L450 VanDerWaalsContact O-CG 3.31Å; L446-L450 WeakPolarHBondContact O-CG 3.44Å; L446-L450 PolarHBondContact O-N 3.19Å; E448-L450 VanDerWaalsContact C-N 3.33Å; E448-L450 PolarHBondContact O-N 3.15Å; L450-R454 VanDerWaalsContact O-CB 3.24Å; L450-R454 WeakPolarHBondContact O-CB 3.14Å; L450-R454 WeakPolarHBondContact O-CG 3.35Å; L450-R454 PolarHBondContact O-N 3.27Å
451A93.3Very high91.9Very high54 Ų5474.5 Ų74.545%0.44637%0.367SS..Hα-helixtrans-65.4-48.3179.200000110.5Q447 E448 E449 R454 E455Q447-A451 WeakPolarHBondContact O-CB 3.39Å; Q447-A451 PolarHBondContact O-N 3.02Å; E448-A451 WeakPolarHBondContact O-CB 3.32Å; E448-A451 PolarHBondContact O-N 3.49Å; E449-A451 VanDerWaalsContact C-N 3.34Å; A451-R454 PolarHBondContact O-N 3.2Å; A451-E455 PolarHBondContact O-N 3.43Å; A451-E455 VanDerWaalsContact O-N 3.11Å
452D93.5Very high91.9Very high102 Ų10273.2 Ų73.255%0.54537%0.366SS..Hα-helixtrans-61.6-48177.7-66.9-17.4000111.1E448 R454 E455 E456E448-D452 PolarHBondContact O-N 3.5Å; E448-D452 VanDerWaalsContact O-N 3.15Å; D452-R454 VanDerWaalsContact C-N 3.33Å; D452-R454 PolarHBondContact O-N 2.99Å; D452-E455 PolarHBondContact O-N 2.86Å; D452-E455 VanDerWaalsContact O-N 3.16Å; D452-E456 PolarHBondContact O-N 2.78Å
453L93.1Very high91.7Very high13 Ų1371.7 Ų71.77%0.06836%0.363CS..Hα-helixtrans-67.7-32.4-177.8-162.969.6000112.5V417 R420 L421 L424 E449 T457V417-L453 HydrophobicContact CG1-CD1 3.58Å; V417-L453 HydrophobicContact CG1-CG 4.05Å; R420-L453 HydrophobicContact CB-CD2 4.09Å; R420-L453 HydrophobicContact CG-CD2 3.83Å; L421-L453 HydrophobicContact CB-CD2 3.82Å; L421-L453 HydrophobicContact CB-CG 4.26Å; L421-L453 HydrophobicContact CD1-CB 4.47Å; L421-L453 HydrophobicContact CD1-CD2 4.32Å; L424-L453 HydrophobicContact CD1-CD2 3.91Å; E449-L453 VanDerWaalsContact O-CB 3.27Å; E449-L453 WeakPolarHBondContact O-CB 3.49Å; E449-L453 PolarHBondContact O-N 2.93Å; L453-T457 WeakPolarHBondContact O-CB 3.37Å; L453-T457 PolarHBondContact O-N 3.34Å; L453-T457 PolarHBondContact O-OG1 3.17Å
454R94.4Very high91.4Very high98 Ų9872 Ų7237%0.3736%0.362SS..Hα-helixtrans-66.3-41.1172.4-81176175.2158.43.1111.6L421 E425 L450 A451 D452 N458L421-R454 HydrophobicContact CD1-CG 3.57Å; L421-R454 HydrophobicContact CD2-CG 4.11Å; L421-R454 HydrophobicContact CG-CG 4.49Å; E425-R454 IonicContact OE1-CZ 2.69Å; E425-R454 IonicContact OE1-NE 3.47Å; E425-R454 PolarHBondContact OE1-NE 3.08Å; E425-R454 VanDerWaalsContact OE1-NE 3.13Å; E425-R454 IonicContact OE1-NH2 3.26Å; E425-R454 PolarHBondContact OE1-NH2 2.92Å; L450-R454 VanDerWaalsContact O-CB 3.24Å; L450-R454 WeakPolarHBondContact O-CB 3.14Å; L450-R454 WeakPolarHBondContact O-CG 3.35Å; L450-R454 PolarHBondContact O-N 3.27Å; A451-R454 PolarHBondContact O-N 3.2Å; D452-R454 VanDerWaalsContact C-N 3.33Å; D452-R454 PolarHBondContact O-N 2.99Å; R454-N458 VanDerWaalsContact O-CB 3.26Å; R454-N458 WeakPolarHBondContact O-CB 3.5Å; R454-N458 PolarHBondContact O-N 2.99Å; R454-N458 PolarHBondContact O-ND2 3.5Å
455E93.8Very high91.2Very high144 Ų14470.4 Ų70.467%0.67336%0.355SS*.Hα-helixtrans-62.9-47.8176.8-172.6172.1179.600110.6A451 D452 N458 A459A451-E455 PolarHBondContact O-N 3.43Å; A451-E455 VanDerWaalsContact O-N 3.11Å; D452-E455 PolarHBondContact O-N 2.86Å; D452-E455 VanDerWaalsContact O-N 3.16Å; E455-N458 PolarHBondContact O-N 2.95Å; E455-A459 WeakPolarHBondContact O-CB 3.47Å; E455-A459 PolarHBondContact O-N 3.3Å
456E91Very high90.9Very high91 Ų9169.5 Ų69.543%0.42535%0.353SS..Hα-helixtrans-59.4-50.9176.1-174.2177.9-172.400112V417 D452 N458 A459 M460V417-E456 HydrophobicContact CG1-CG 4.46Å; D452-E456 PolarHBondContact O-N 2.78Å; E456-N458 VanDerWaalsContact C-N 3.33Å; E456-N458 PolarHBondContact O-N 2.99Å; E456-A459 PolarHBondContact O-N 3.06Å; E456-M460 HydrophobicContact CG-CE 4.09Å; E456-M460 HydrophobicContact CG-SD 4.37Å; E456-M460 WeakPolarHBondContact O-CG 3.24Å; E456-M460 PolarHBondContact O-N 3.37Å
457T91Very high90.4Very high9 Ų970.2 Ų70.26%0.05536%0.356CS..Hα-helixtrans-58.8-44.4179.2-53.90000111.4L414 V417 L421 L453 M460 K461L414-T457 HydrophobicContact CD1-CG2 4.09Å; V417-T457 WeakPolarHBondContact CG1-OG1 3.21Å; L421-T457 HydrophobicContact CD2-CG2 4.17Å; L453-T457 WeakPolarHBondContact O-CB 3.37Å; L453-T457 PolarHBondContact O-N 3.34Å; L453-T457 PolarHBondContact O-OG1 3.17Å; T457-M460 PolarHBondContact O-N 2.93Å; T457-K461 WeakPolarHBondContact O-CB 3.38Å; T457-K461 PolarHBondContact O-N 3.28Å
458N91.7Very high89.9Confident104 Ų10469.2 Ų69.256%0.55635%0.35SS*.Hα-helixtrans-67.9-39179.9-74.5-33.7000111.7R454 E455 E456 L462R454-N458 VanDerWaalsContact O-CB 3.26Å; R454-N458 WeakPolarHBondContact O-CB 3.5Å; R454-N458 PolarHBondContact O-N 2.99Å; R454-N458 PolarHBondContact O-ND2 3.5Å; E455-N458 PolarHBondContact O-N 2.95Å; E456-N458 VanDerWaalsContact C-N 3.33Å; E456-N458 PolarHBondContact O-N 2.99Å; N458-L462 WeakPolarHBondContact O-CB 3.48Å; N458-L462 PolarHBondContact O-N 3.47Å
459A90.5Very high89.6Confident59 Ų5968.1 Ų68.149%0.48835%0.345SS..Hα-helixtrans-62.7-47.8175.900000111.1E455 E456 L462 Q463E455-A459 WeakPolarHBondContact O-CB 3.47Å; E455-A459 PolarHBondContact O-N 3.3Å; E456-A459 PolarHBondContact O-N 3.06Å; A459-L462 PolarHBondContact O-N 3.45Å; A459-Q463 WeakPolarHBondContact O-CB 3.17Å; A459-Q463 PolarHBondContact O-N 3.29Å
460M88.5Confident89.1Confident31 Ų3167.3 Ų67.315%0.15334%0.341CS..Hα-helixtrans-63.9-43.6177.5-69-174167.100112.2L414 V417 E456 T457 Q463 W464 M529L414-M460 HydrophobicContact CD1-CB 3.79Å; V417-M460 HydrophobicContact CG2-SD 4.22Å; E456-M460 HydrophobicContact CG-CE 4.09Å; E456-M460 HydrophobicContact CG-SD 4.37Å; E456-M460 WeakPolarHBondContact O-CG 3.24Å; E456-M460 PolarHBondContact O-N 3.37Å; T457-M460 PolarHBondContact O-N 2.93Å; M460-Q463 WeakPolarHBondContact O-CB 3.46Å; M460-Q463 PolarHBondContact O-N 2.95Å; M460-W464 WeakPolarHBondContact O-CB 3.21Å; M460-W464 PolarHBondContact O-N 3.08Å; M460-M529 HydrophobicContact CB-CE 3.63Å; M460-M529 HydrophobicContact CB-SD 4.17Å; M460-M529 HydrophobicContact CG-CE 3.52Å; M460-M529 VanDerWaalsContact O-SD 3.39Å; M460-M529 HydrophobicContact SD-CE 4.34Å
461K88.8Confident88.5Confident100 Ų10067.8 Ų67.844%0.43534%0.344SS..Hα-helixtrans-63.1-43.9177.4-174.5178.7176.3-176.10111.8L414 T457 Q463 W464 E465L414-K461 HydrophobicContact CD1-CB 4.35Å; L414-K461 HydrophobicContact CD2-CB 4.35Å; T457-K461 WeakPolarHBondContact O-CB 3.38Å; T457-K461 PolarHBondContact O-N 3.28Å; K461-Q463 VanDerWaalsContact C-N 3.32Å; K461-W464 PolarHBondContact O-N 3.21Å; K461-E465 WeakPolarHBondContact CE-OE1 3.24Å; K461-E465 IonicContact NZ-OE1 3.29Å; K461-E465 WeakPolarHBondContact O-CB 3.3Å; K461-E465 WeakPolarHBondContact O-CG 3.4Å; K461-E465 PolarHBondContact O-N 3.17Å
462L89.3Confident88Confident110 Ų11067 Ų6758%0.57633%0.332SS*.Hα-helixtrans-63.4-40.7176.9-179.464.2000111.3N458 A459 T466N458-L462 WeakPolarHBondContact O-CB 3.48Å; N458-L462 PolarHBondContact O-N 3.47Å; A459-L462 PolarHBondContact O-N 3.45Å; L462-T466 WeakPolarHBondContact O-CB 3.38Å; L462-T466 PolarHBondContact O-N 2.75Å; L462-T466 PolarHBondContact O-OG1 3.08Å
463Q85.8Confident87.8Confident69 Ų6964.7 Ų64.732%0.32232%0.322SS..Hα-helixtrans-59.7-51.5174178176-400110.8A459 M460 K461 E465 T466 E467 I527 M529A459-Q463 WeakPolarHBondContact O-CB 3.17Å; A459-Q463 PolarHBondContact O-N 3.29Å; M460-Q463 WeakPolarHBondContact O-CB 3.46Å; M460-Q463 PolarHBondContact O-N 2.95Å; K461-Q463 VanDerWaalsContact C-N 3.32Å; Q463-E465 PolarHBondContact O-N 3.17Å; Q463-T466 PolarHBondContact O-N 2.9Å; Q463-E467 HydrophobicContact CG-CG 4.47Å; Q463-E467 VanDerWaalsContact CG-OE1 3.27Å; Q463-E467 WeakPolarHBondContact CG-OE1 3.36Å; Q463-E467 PolarHBondContact NE2-OE1 2.73Å; Q463-E467 WeakPolarHBondContact O-CG 3.33Å; Q463-E467 PolarHBondContact O-N 3.39Å; Q463-I527 PolarHBondContact NE2-O 2.8Å; Q463-M529 HydrophobicContact CB-CE 4.47Å; Q463-M529 HydrophobicContact CB-SD 4.26Å; Q463-M529 HydrophobicContact CG-CE 4.44Å; Q463-M529 HydrophobicContact CG-CG 4.31Å; Q463-M529 HydrophobicContact CG-SD 4.19Å; Q463-M529 VanDerWaalsContact OE1-CE 3.32Å
464W85.7Confident87.5Confident34 Ų3464.6 Ų64.613%0.12932%0.322CS..Hα-helixtrans-59.2-44.8178.8179.756.6000113.1S409 P411 L414 M460 K461 T466 E467 K468 M529S409-W464 VanDerWaalsContact O-CZ2 3.3Å; S409-W464 WeakPolarHBondContact O-CZ2 3.41Å; P411-W464 HydrophobicContact CG-CG 4.28Å; L414-W464 HydrophobicContact CD2-CB 4.38Å; L414-W464 HydrophobicContact CD2-CD2 4.43Å; L414-W464 HydrophobicContact CD2-CE3 4.07Å; M460-W464 WeakPolarHBondContact O-CB 3.21Å; M460-W464 PolarHBondContact O-N 3.08Å; K461-W464 PolarHBondContact O-N 3.21Å; W464-T466 VanDerWaalsContact C-N 3.34Å; W464-T466 PolarHBondContact O-N 3.36Å; W464-E467 PolarHBondContact O-N 3.35Å; W464-K468 WeakPolarHBondContact O-CB 3.41Å; W464-K468 PolarHBondContact O-N 3.06Å; W464-M529 HydrophobicContact CB-SD 4.29Å
465E86.4Confident87Confident98 Ų9860.8 Ų60.846%0.45831%0.31SS..Hα-helixtrans-63.1-39.7176.2-75.1178.6-179.500111.9K461 Q463 E469K461-E465 WeakPolarHBondContact CE-OE1 3.24Å; K461-E465 IonicContact NZ-OE1 3.29Å; K461-E465 WeakPolarHBondContact O-CB 3.3Å; K461-E465 WeakPolarHBondContact O-CG 3.4Å; K461-E465 PolarHBondContact O-N 3.17Å; Q463-E465 PolarHBondContact O-N 3.17Å; E465-E469 WeakPolarHBondContact O-CB 3.35Å; E465-E469 PolarHBondContact O-N 3.06Å
466T86.7Confident86.8Confident67 Ų6758.7 Ų58.741%0.41130%0.304SS..Hα-helixtrans-66.1-47.6177.5-570000111.1L462 Q463 W464 K468 E469 E470L462-T466 WeakPolarHBondContact O-CB 3.38Å; L462-T466 PolarHBondContact O-N 2.75Å; L462-T466 PolarHBondContact O-OG1 3.08Å; Q463-T466 PolarHBondContact O-N 2.9Å; W464-T466 VanDerWaalsContact C-N 3.34Å; W464-T466 PolarHBondContact O-N 3.36Å; T466-K468 VanDerWaalsContact C-N 3.33Å; T466-K468 PolarHBondContact O-N 3.37Å; T466-E469 PolarHBondContact O-N 2.76Å; T466-E470 WeakPolarHBondContact O-CG 3.04Å; T466-E470 PolarHBondContact O-N 2.94Å
467E82.7Confident86.8Confident15 Ų1555.8 Ų55.87%0.0729%0.29CS..Hα-helixtrans-60.3-44177.9-72.9177.1-162.800111.2Q463 W464 E469 E470 V471 K528 M529 V530Q463-E467 HydrophobicContact CG-CG 4.47Å; Q463-E467 VanDerWaalsContact CG-OE1 3.27Å; Q463-E467 WeakPolarHBondContact CG-OE1 3.36Å; Q463-E467 PolarHBondContact NE2-OE1 2.73Å; Q463-E467 WeakPolarHBondContact O-CG 3.33Å; Q463-E467 PolarHBondContact O-N 3.39Å; W464-E467 PolarHBondContact O-N 3.35Å; E467-E469 VanDerWaalsContact C-N 3.33Å; E467-E469 PolarHBondContact O-N 3.25Å; E467-E470 WeakPolarHBondContact O-CB 3.33Å; E467-E470 PolarHBondContact O-N 3.41Å; E467-V471 VanDerWaalsContact O-CG2 3.31Å; E467-V471 WeakPolarHBondContact O-CG2 3.4Å; E467-V471 PolarHBondContact O-N 3.15Å; E467-K528 WeakPolarHBondContact OE1-CA 3.16Å; E467-M529 PolarHBondContact OE1-N 3.19Å; E467-M529 VanDerWaalsContact OE1-N 3.15Å; E467-M529 WeakPolarHBondContact OE2-CA 3.24Å; E467-M529 PolarHBondContact OE2-N 3.05Å; E467-V530 HydrophobicContact CB-CG2 4.24Å; E467-V530 PolarHBondContact OE2-N 2.97Å
468K82.1Confident86.7Confident61 Ų6156.4 Ų56.427%0.26529%0.291SS..Hα-helixtrans-60.4-43.2177.1-174.1175.3-173.5167.10112.3N408 W464 T466 E470 V471 N472N408-K468 VanDerWaalsContact OD1-CE 3.29Å; N408-K468 WeakPolarHBondContact OD1-CE 3.43Å; N408-K468 PolarHBondContact OD1-NZ 2.74Å; W464-K468 WeakPolarHBondContact O-CB 3.41Å; W464-K468 PolarHBondContact O-N 3.06Å; T466-K468 VanDerWaalsContact C-N 3.33Å; T466-K468 PolarHBondContact O-N 3.37Å; K468-E470 VanDerWaalsContact C-N 3.34Å; K468-V471 PolarHBondContact O-N 2.89Å; K468-N472 PolarHBondContact O-N 3.14Å; K468-N472 PolarHBondContact O-ND2 2.92Å
469E85.4Confident86.6Confident111 Ų11153.3 Ų53.352%0.51928%0.28SS..Hα-helixtrans-65-40176.5-171.659.8-16200111.2E465 T466 E467 V471 N472 V473E465-E469 WeakPolarHBondContact O-CB 3.35Å; E465-E469 PolarHBondContact O-N 3.06Å; T466-E469 PolarHBondContact O-N 2.76Å; E467-E469 VanDerWaalsContact C-N 3.33Å; E467-E469 PolarHBondContact O-N 3.25Å; E469-V471 VanDerWaalsContact C-N 3.33Å; E469-V471 PolarHBondContact O-N 2.85Å; E469-N472 PolarHBondContact O-N 3.31Å; E469-V473 HydrophobicContact CG-CG2 4.45Å; E469-V473 VanDerWaalsContact O-CG2 3.27Å; E469-V473 WeakPolarHBondContact O-CG2 3.39Å; E469-V473 PolarHBondContact O-N 2.78Å
470E84.4Confident86.6Confident43 Ų4355.2 Ų55.220%0.20128%0.279CS..Hα-helixtrans-61-38.8175.7-74.6-171.3152.900112.7T466 E467 K468 V474 K521 N522T466-E470 WeakPolarHBondContact O-CG 3.04Å; T466-E470 PolarHBondContact O-N 2.94Å; E467-E470 WeakPolarHBondContact O-CB 3.33Å; E467-E470 PolarHBondContact O-N 3.41Å; K468-E470 VanDerWaalsContact C-N 3.34Å; E470-V474 WeakPolarHBondContact O-CG2 2.95Å; E470-V474 PolarHBondContact O-N 3.11Å; E470-K521 IonicContact OE1-NZ 3.1Å; E470-K521 PolarHBondContact OE1-NZ 3.1Å; E470-N522 PolarHBondContact O-ND2 3.28Å
471V80.5Confident86.8Confident10 Ų1054 Ų546%0.06127%0.273CS..Hα-helixtrans-67.9-43.1174.2-171.30000111.6G364 M407 E467 K468 E469 V473 V474 S475 E532G364-V471 WeakPolarHBondContact O-CG1 3.46Å; M407-V471 HydrophobicContact CE-CB 3.85Å; M407-V471 HydrophobicContact CE-CG1 3.71Å; M407-V471 HydrophobicContact CE-CG2 3.68Å; E467-V471 VanDerWaalsContact O-CG2 3.31Å; E467-V471 WeakPolarHBondContact O-CG2 3.4Å; E467-V471 PolarHBondContact O-N 3.15Å; K468-V471 PolarHBondContact O-N 2.89Å; E469-V471 VanDerWaalsContact C-N 3.33Å; E469-V471 PolarHBondContact O-N 2.85Å; V471-V473 VanDerWaalsContact C-N 3.32Å; V471-V473 PolarHBondContact O-N 3.43Å; V471-V474 PolarHBondContact O-N 3.33Å; V471-S475 PolarHBondContact O-N 2.89Å; V471-E532 WeakPolarHBondContact CG1-OE2 3.49Å; V471-E532 HydrophobicContact CG2-CB 4.31Å; V471-E532 WeakPolarHBondContact CG2-OE2 3.45Å
472N83.8Confident86.7Confident37 Ų3751.9 Ų51.920%0.19827%0.266CS..Hα-helixtrans-63-39.2178.7-72.5-29.1000112K468 E469 V474 S475 N476K468-N472 PolarHBondContact O-N 3.14Å; K468-N472 PolarHBondContact O-ND2 2.92Å; E469-N472 PolarHBondContact O-N 3.31Å; N472-V474 VanDerWaalsContact C-N 3.34Å; N472-V474 PolarHBondContact O-N 2.86Å; N472-S475 PolarHBondContact O-N 2.95Å; N472-N476 WeakPolarHBondContact O-CB 3.04Å; N472-N476 PolarHBondContact O-N 3.3Å; N472-N476 PolarHBondContact O-ND2 3.25Å
473V88.4Confident86.6Confident55 Ų5551.2 Ų51.233%0.33326%0.261SS..Hα-helixtrans-62.2-42.4176.1170.40000111E469 V471 K477 L518E469-V473 HydrophobicContact CG-CG2 4.45Å; E469-V473 VanDerWaalsContact O-CG2 3.27Å; E469-V473 WeakPolarHBondContact O-CG2 3.39Å; E469-V473 PolarHBondContact O-N 2.78Å; V471-V473 VanDerWaalsContact C-N 3.32Å; V471-V473 PolarHBondContact O-N 3.43Å; V473-K477 WeakPolarHBondContact O-CB 3.41Å; V473-K477 PolarHBondContact O-N 3.3Å; V473-L518 HydrophobicContact CG1-CD1 3.84Å; V473-L518 HydrophobicContact CG1-CD2 3.87Å
474V86.4Confident86.9Confident11 Ų1148.2 Ų48.27%0.06725%0.248CC..Hα-helixtrans-62.9-47.7174.3171.30000110.9E470 V471 N472 N476 K477 R478 L515 L518 E519 N522E470-V474 WeakPolarHBondContact O-CG2 2.95Å; E470-V474 PolarHBondContact O-N 3.11Å; V471-V474 PolarHBondContact O-N 3.33Å; N472-V474 VanDerWaalsContact C-N 3.34Å; N472-V474 PolarHBondContact O-N 2.86Å; V474-N476 PolarHBondContact O-N 2.69Å; V474-K477 PolarHBondContact O-N 3.05Å; V474-R478 WeakPolarHBondContact O-CG 3.38Å; V474-R478 PolarHBondContact O-N 3.26Å; V474-L515 HydrophobicContact CG1-CD1 3.96Å; V474-L518 HydrophobicContact CG2-CB 3.99Å; V474-E519 HydrophobicContact CG1-CG 4.25Å; V474-N522 WeakPolarHBondContact CG2-ND2 3.45Å
475S84.3Confident87Confident18 Ų1849.7 Ų49.713%0.12626%0.255CS..Hα-helixtrans-58.6-45.4178.6-167.30000112.3V471 N472 K477 R478 A479V471-S475 PolarHBondContact O-N 2.89Å; N472-S475 PolarHBondContact O-N 2.95Å; S475-K477 PolarHBondContact O-N 3.24Å; S475-R478 PolarHBondContact O-N 3.33Å; S475-A479 PolarHBondContact O-N 3.37Å
476N89.4Confident86.8Confident100 Ų10046.5 Ų46.554%0.53524%0.24SC..Hα-helixtrans-63.8-41.2177.2-70.8-23.8000111.4N472 V474 R478 A479 E480N472-N476 WeakPolarHBondContact O-CB 3.04Å; N472-N476 PolarHBondContact O-N 3.3Å; N472-N476 PolarHBondContact O-ND2 3.25Å; V474-N476 PolarHBondContact O-N 2.69Å; N476-R478 PolarHBondContact O-N 2.94Å; N476-A479 PolarHBondContact O-N 2.62Å; N476-E480 WeakPolarHBondContact O-CG 3.45Å; N476-E480 PolarHBondContact O-N 2.92Å
477K92.1Very high86.8Confident30 Ų3046.2 Ų46.213%0.1323%0.234CC..Hα-helixtrans-65.6-37.1176.8-174.361.162.8-174.70112V473 V474 S475 E480 L481 L511 E514 L515 L518V473-K477 WeakPolarHBondContact O-CB 3.41Å; V473-K477 PolarHBondContact O-N 3.3Å; V474-K477 PolarHBondContact O-N 3.05Å; S475-K477 PolarHBondContact O-N 3.24Å; K477-E480 IonicContact NZ-OE2 3.31Å; K477-E480 PolarHBondContact NZ-OE2 3.16Å; K477-E480 PolarHBondContact O-N 3.44Å; K477-L481 PolarHBondContact O-N 3.31Å; K477-L511 HydrophobicContact CD-CD2 3.72Å; K477-E514 HydrophobicContact CD-CB 4.27Å; K477-E514 WeakPolarHBondContact CE-OE2 3.27Å; K477-E514 IonicContact NZ-OE2 3.81Å; K477-E514 PolarHBondContact NZ-OE2 3.28Å; K477-L515 HydrophobicContact CB-CD1 4.19Å; K477-L515 HydrophobicContact CG-CB 3.91Å; K477-L515 HydrophobicContact CG-CD1 4.07Å; K477-L518 HydrophobicContact CB-CD1 4.1Å; K477-L518 HydrophobicContact CG-CD1 4.12Å
478R88.8Confident87Confident21 Ų2146.6 Ų46.68%0.07924%0.236CC..Hα-helixtrans-62.7-43.7172.4-73.3179.8178.9-178.7-6.4111.5E360 I361 V474 S475 N476 E480 L481 D482 L515 E519E360-R478 IonicContact OE1-NH1 3.25Å; E360-R478 IonicContact OE2-CZ 3.08Å; E360-R478 IonicContact OE2-NH1 2.81Å; E360-R478 PolarHBondContact OE2-NH1 3.42Å; E360-R478 VanDerWaalsContact OE2-NH1 3.17Å; I361-R478 HydrophobicContact CD1-CB 4.27Å; I361-R478 HydrophobicContact CG1-CB 3.82Å; V474-R478 WeakPolarHBondContact O-CG 3.38Å; V474-R478 PolarHBondContact O-N 3.26Å; S475-R478 PolarHBondContact O-N 3.33Å; N476-R478 PolarHBondContact O-N 2.94Å; R478-E480 PolarHBondContact O-N 2.91Å; R478-L481 WeakPolarHBondContact O-CB 3.34Å; R478-L481 PolarHBondContact O-N 3.44Å; R478-D482 PolarHBondContact O-N 3.03Å; R478-L515 HydrophobicContact CG-CD1 3.69Å; R478-L515 HydrophobicContact CG-CD2 3.79Å; R478-L515 HydrophobicContact CG-CG 4.41Å; R478-E519 IonicContact CZ-OE1 2.85Å; R478-E519 IonicContact NE-OE1 2.64Å; R478-E519 PolarHBondContact NE-OE1 2.88Å; R478-E519 IonicContact NH2-OE1 3.74Å; R478-E519 PolarHBondContact NH2-OE1 3.09Å
479A87.9Confident87Confident40 Ų4048.5 Ų48.533%0.33125%0.246SC..Hα-helixtrans-63.2-40.2175.700000112.7I361 S475 N476 L481 D482 Q483I361-A479 HydrophobicContact CG2-CB 4.18Å; S475-A479 PolarHBondContact O-N 3.37Å; N476-A479 PolarHBondContact O-N 2.62Å; A479-L481 VanDerWaalsContact C-N 3.32Å; A479-L481 PolarHBondContact O-N 2.9Å; A479-D482 PolarHBondContact O-N 3.27Å; A479-Q483 WeakPolarHBondContact O-CB 2.84Å; A479-Q483 PolarHBondContact O-N 3.47Å
480E92.3Very high86.7Confident98 Ų9845.4 Ų45.446%0.45823%0.233SC..Hα-helixtrans-60.3-41.3172.8-73.6176.7-172.500112N476 K477 R478 A484 L511N476-E480 WeakPolarHBondContact O-CG 3.45Å; N476-E480 PolarHBondContact O-N 2.92Å; K477-E480 IonicContact NZ-OE2 3.31Å; K477-E480 PolarHBondContact NZ-OE2 3.16Å; K477-E480 PolarHBondContact O-N 3.44Å; R478-E480 PolarHBondContact O-N 2.91Å; E480-A484 WeakPolarHBondContact O-CB 3.4Å; E480-A484 PolarHBondContact O-N 2.74Å; E480-L511 HydrophobicContact CB-CD1 4.41Å; E480-L511 HydrophobicContact CB-CD2 4.33Å
481L90.8Very high86.7Confident7 Ų743.6 Ų43.64%0.03723%0.226CC..Hα-helixtrans-67.2-45178.3178.563.2000111.8K477 R478 A479 A484 K485 I508 L511 E512 L515K477-L481 PolarHBondContact O-N 3.31Å; R478-L481 WeakPolarHBondContact O-CB 3.34Å; R478-L481 PolarHBondContact O-N 3.44Å; A479-L481 VanDerWaalsContact C-N 3.32Å; A479-L481 PolarHBondContact O-N 2.9Å; L481-A484 PolarHBondContact O-N 2.88Å; L481-K485 WeakPolarHBondContact O-CG 3.41Å; L481-K485 PolarHBondContact O-N 2.83Å; L481-I508 HydrophobicContact CD1-CG2 3.94Å; L481-L511 HydrophobicContact CB-CB 4.41Å; L481-L511 HydrophobicContact CD1-CB 3.93Å; L481-E512 HydrophobicContact CD1-CG 3.83Å; L481-E512 HydrophobicContact CD2-CG 4.05Å; L481-L515 HydrophobicContact CD2-CD2 3.93Å
482D87.5Confident86.8Confident54 Ų5446.9 Ų46.929%0.28924%0.24SC..Hα-helixtrans-59.8-45.9176.5-173.262.6000111.2I361 R478 A479 A484 K485 H486I361-D482 HydrophobicContact CD1-CB 3.92Å; R478-D482 PolarHBondContact O-N 3.03Å; A479-D482 PolarHBondContact O-N 3.27Å; D482-A484 VanDerWaalsContact C-N 3.34Å; D482-A484 PolarHBondContact O-N 3.34Å; D482-K485 WeakPolarHBondContact O-CB 3.32Å; D482-K485 PolarHBondContact O-N 3.47Å; D482-H486 PolarHBondContact O-N 3.31Å
483Q88.3Confident86.3Confident97 Ų9748.5 Ų48.545%0.45325%0.249SC..Hα-helixtrans-59.7-43174.4-177.459.536.500112A479 H486 E487A479-Q483 WeakPolarHBondContact O-CB 2.84Å; A479-Q483 PolarHBondContact O-N 3.47Å; Q483-H486 PolarHBondContact O-N 2.88Å; Q483-E487 WeakPolarHBondContact O-CG 3.48Å; Q483-E487 PolarHBondContact O-N 3.46Å
484A90.7Very high85.7Confident6 Ų651.8 Ų51.85%0.0527%0.265CS..Hα-helixtrans-67.2-37178.100000112.8E480 L481 D482 H486 E487 L488 T507 I508 L511E480-A484 WeakPolarHBondContact O-CB 3.4Å; E480-A484 PolarHBondContact O-N 2.74Å; L481-A484 PolarHBondContact O-N 2.88Å; D482-A484 VanDerWaalsContact C-N 3.34Å; D482-A484 PolarHBondContact O-N 3.34Å; A484-H486 VanDerWaalsContact C-N 3.34Å; A484-E487 PolarHBondContact O-N 3.28Å; A484-L488 PolarHBondContact O-N 2.66Å; A484-T507 HydrophobicContact CB-CG2 4.34Å; A484-I508 HydrophobicContact CB-CG1 3.87Å; A484-L511 HydrophobicContact CB-CD1 3.84Å
485K87.8Confident85.4Confident65 Ų6559.8 Ų59.828%0.28330%0.295SS..Hα-helixtrans-62.2-43.3172.3-73.3171.4-180169.40110.5E357 L481 D482 L488 E489 I508E357-K485 VanDerWaalsContact CD-NZ 3.35Å; E357-K485 IonicContact OE1-NZ 3.37Å; E357-K485 PolarHBondContact OE1-NZ 3.45Å; E357-K485 IonicContact OE2-NZ 2.75Å; E357-K485 PolarHBondContact OE2-NZ 3.5Å; L481-K485 WeakPolarHBondContact O-CG 3.41Å; L481-K485 PolarHBondContact O-N 2.83Å; D482-K485 WeakPolarHBondContact O-CB 3.32Å; D482-K485 PolarHBondContact O-N 3.47Å; K485-L488 WeakPolarHBondContact O-CB 3.15Å; K485-L488 PolarHBondContact O-N 2.98Å; K485-E489 PolarHBondContact O-N 2.95Å; K485-E489 VanDerWaalsContact O-N 3.1Å; K485-I508 HydrophobicContact CG-CD1 4.41Å
486H82.7Confident85.6Confident30 Ų3062.7 Ų62.714%0.13931%0.309CS..Hα-helixtrans-64.6-45.9177.1-178.839.5000112.2N176 G177 D482 Q483 A484 L488 E489 D490N176-H486 VanDerWaalsContact C-NE2 3.3Å; N176-H486 PolarHBondContact O-NE2 3.29Å; G177-H486 WeakPolarHBondContact CA-CE1 3.38Å; G177-H486 VanDerWaalsContact CA-NE2 3.33Å; G177-H486 WeakPolarHBondContact CA-NE2 3.48Å; G177-H486 PolarHBondContact N-CE1 3.02Å; G177-H486 VanDerWaalsContact N-CE1 3.27Å; G177-H486 PolarHBondContact N-NE2 3.21Å; D482-H486 PolarHBondContact O-N 3.31Å; Q483-H486 PolarHBondContact O-N 2.88Å; A484-H486 VanDerWaalsContact C-N 3.34Å; H486-L488 PolarHBondContact O-N 3.14Å; H486-E489 WeakPolarHBondContact O-CB 3.36Å; H486-E489 PolarHBondContact O-N 3.04Å; H486-E489 VanDerWaalsContact O-N 3.08Å; H486-D490 IonicContact CE1-OD1 2.88Å; H486-D490 PolarHBondContact CE1-OD1 2.84Å; H486-D490 IonicContact CE1-OD2 2.6Å; H486-D490 PolarHBondContact CE1-OD2 3.31Å; H486-D490 IonicContact NE2-OD2 2.65Å; H486-D490 PolarHBondContact NE2-OD2 2.91Å; H486-D490 PolarHBondContact O-N 3.23Å
487E86.4Confident85.6Confident61 Ų6164.4 Ų64.429%0.28532%0.317SS..Hα-helixtrans-59-30.9174.4-73.1179.9-163.900112.7Q483 A484 A491 R499 L503Q483-E487 WeakPolarHBondContact O-CG 3.48Å; Q483-E487 PolarHBondContact O-N 3.46Å; A484-E487 PolarHBondContact O-N 3.28Å; E487-A491 VanDerWaalsContact O-CB 3.29Å; E487-A491 WeakPolarHBondContact O-CB 3.28Å; E487-A491 PolarHBondContact O-N 2.89Å; E487-R499 IonicContact OE2-CZ 2.75Å; E487-R499 IonicContact OE2-NE 2.69Å; E487-R499 IonicContact OE2-NH2 3.78Å; E487-R499 PolarHBondContact OE2-NH2 3.25Å; E487-L503 VanDerWaalsContact C-CD1 3.48Å; E487-L503 HydrophobicContact CB-CD1 3.6Å; E487-L503 HydrophobicContact CB-CD2 4.47Å
488L88.1Confident85.6Confident23 Ų2370.5 Ų70.512%0.1235%0.347CS..Hα-helixtrans-68.1-47175.1173.663.4000110.7A484 K485 H486 D490 A491 E492 A500 L503 R504 I508A484-L488 PolarHBondContact O-N 2.66Å; K485-L488 WeakPolarHBondContact O-CB 3.15Å; K485-L488 PolarHBondContact O-N 2.98Å; H486-L488 PolarHBondContact O-N 3.14Å; L488-D490 VanDerWaalsContact C-N 3.28Å; L488-D490 PolarHBondContact O-N 2.83Å; L488-A491 PolarHBondContact O-N 3.49Å; L488-E492 HydrophobicContact CD1-CG 4.21Å; L488-E492 VanDerWaalsContact CD1-OE1 3.25Å; L488-E492 WeakPolarHBondContact CD1-OE1 3.41Å; L488-E492 WeakPolarHBondContact CG-OE1 3.24Å; L488-E492 WeakPolarHBondContact O-CB 3.33Å; L488-E492 WeakPolarHBondContact O-CG 3.36Å; L488-E492 PolarHBondContact O-N 3.23Å; L488-A500 HydrophobicContact CD1-CB 3.86Å; L488-A500 VanDerWaalsContact CD1-O 3.29Å; L488-A500 WeakPolarHBondContact CD1-O 3.41Å; L488-L503 HydrophobicContact CB-CB 4.16Å; L488-L503 HydrophobicContact CB-CD1 4.27Å; L488-L503 HydrophobicContact CD1-CB 4.18Å; L488-R504 HydrophobicContact CD1-CB 3.87Å; L488-R504 HydrophobicContact CD2-CB 4Å; L488-R504 HydrophobicContact CD2-CG 4.29Å; L488-I508 HydrophobicContact CB-CD1 3.92Å; L488-I508 HydrophobicContact CD2-CD1 3.64Å; L488-I508 HydrophobicContact CG-CD1 4.38Å
489E81.4Confident85.6Confident102 Ų10274.8 Ų74.848%0.47736%0.362SS..Hα-helixtrans-58.3-43175.6-67.5-167.9167.600111.3K485 H486 E492 N493K485-E489 PolarHBondContact O-N 2.95Å; K485-E489 VanDerWaalsContact O-N 3.1Å; H486-E489 WeakPolarHBondContact O-CB 3.36Å; H486-E489 PolarHBondContact O-N 3.04Å; H486-E489 VanDerWaalsContact O-N 3.08Å; E489-E492 PolarHBondContact O-N 3.29Å; E489-N493 WeakPolarHBondContact O-CB 3.46Å; E489-N493 PolarHBondContact O-N 3.02Å; E489-N493 PolarHBondContact O-ND2 3.24Å
490D79.2Confident85.7Confident45 Ų4573.2 Ų73.224%0.24135%0.35CS..Hα-helixtrans-64.8-43.2177.3-77-11.2000112.6H486 L488 E492 N493 N494H486-D490 IonicContact CE1-OD1 2.88Å; H486-D490 PolarHBondContact CE1-OD1 2.84Å; H486-D490 IonicContact CE1-OD2 2.6Å; H486-D490 PolarHBondContact CE1-OD2 3.31Å; H486-D490 IonicContact NE2-OD2 2.65Å; H486-D490 PolarHBondContact NE2-OD2 2.91Å; H486-D490 PolarHBondContact O-N 3.23Å; L488-D490 VanDerWaalsContact C-N 3.28Å; L488-D490 PolarHBondContact O-N 2.83Å; D490-E492 VanDerWaalsContact C-N 3.32Å; D490-E492 PolarHBondContact O-N 3.41Å; D490-N493 PolarHBondContact O-N 3.07Å; D490-N494 VanDerWaalsContact O-CB 3.28Å; D490-N494 WeakPolarHBondContact O-CB 3.5Å; D490-N494 VanDerWaalsContact O-CG 3.29Å; D490-N494 PolarHBondContact O-N 3.42Å; D490-N494 PolarHBondContact O-ND2 2.92Å
491A85Confident85.6Confident6 Ų670.9 Ų70.95%0.0535%0.347CS..Hα-helixtrans-62.3-40.9176.100000111.4E487 L488 N494 Y495 D496 R499 A500E487-A491 VanDerWaalsContact O-CB 3.29Å; E487-A491 WeakPolarHBondContact O-CB 3.28Å; E487-A491 PolarHBondContact O-N 2.89Å; L488-A491 PolarHBondContact O-N 3.49Å; A491-N494 CarbonylContact O-C 3.6Å; A491-N494 PolarHBondContact O-N 2.89Å; A491-Y495 PolarHBondContact O-N 3.15Å; A491-Y495 VanDerWaalsContact O-N 3.1Å; A491-D496 HydrophobicContact CB-CB 4.31Å; A491-D496 PolarHBondContact O-N 3.38Å; A491-R499 HydrophobicContact CB-CB 4.07Å; A491-R499 HydrophobicContact CB-CG 3.99Å; A491-A500 HydrophobicContact CB-CB 3.89Å
492E81.5Confident85.8Confident78 Ų7874 Ų7436%0.36437%0.366SS..Hα-helixtrans-65.9-44.9176.2-73.4177.7-163.100112.1L488 E489 D490 N494 Y495 A500 R504L488-E492 HydrophobicContact CD1-CG 4.21Å; L488-E492 VanDerWaalsContact CD1-OE1 3.25Å; L488-E492 WeakPolarHBondContact CD1-OE1 3.41Å; L488-E492 WeakPolarHBondContact CG-OE1 3.24Å; L488-E492 WeakPolarHBondContact O-CB 3.33Å; L488-E492 WeakPolarHBondContact O-CG 3.36Å; L488-E492 PolarHBondContact O-N 3.23Å; E489-E492 PolarHBondContact O-N 3.29Å; D490-E492 VanDerWaalsContact C-N 3.32Å; D490-E492 PolarHBondContact O-N 3.41Å; E492-N494 VanDerWaalsContact C-N 3.26Å; E492-N494 PolarHBondContact O-N 2.89Å; E492-Y495 PolarHBondContact O-N 3.16Å; E492-A500 HydrophobicContact CG-CB 4.02Å; E492-R504 VanDerWaalsContact CD-NH2 3.26Å; E492-R504 IonicContact OE1-CZ 2.78Å; E492-R504 IonicContact OE1-NE 3.8Å; E492-R504 PolarHBondContact OE1-NE 3.37Å; E492-R504 IonicContact OE1-NH2 3.54Å; E492-R504 PolarHBondContact OE1-NH2 3.18Å; E492-R504 IonicContact OE2-NH2 3.84Å; E492-R504 PolarHBondContact OE2-NH2 3Å
493N72.8Confident86Confident71 Ų7171.5 Ų71.538%0.3835%0.353SS..Hα-helixtrans-62.9-34177.1-72.7-33.2000112.2E489 D490E489-N493 WeakPolarHBondContact O-CB 3.46Å; E489-N493 PolarHBondContact O-N 3.02Å; E489-N493 PolarHBondContact O-ND2 3.24Å; D490-N493 PolarHBondContact O-N 3.07Å
494N75.5Confident86.2Confident124 Ų12472.8 Ų72.866%0.66335%0.354SS*.THydrogen-bonded Turntrans-89.12.6178.5-68.2-44.1000114.1D490 A491 E492 D496D490-N494 VanDerWaalsContact O-CB 3.28Å; D490-N494 WeakPolarHBondContact O-CB 3.5Å; D490-N494 VanDerWaalsContact O-CG 3.29Å; D490-N494 PolarHBondContact O-N 3.42Å; D490-N494 PolarHBondContact O-ND2 2.92Å; A491-N494 CarbonylContact O-C 3.6Å; A491-N494 PolarHBondContact O-N 2.89Å; E492-N494 VanDerWaalsContact C-N 3.26Å; E492-N494 PolarHBondContact O-N 2.89Å; N494-D496 PolarHBondContact O-N 3.08Å
495Y82Confident86.2Confident179 Ų17979.5 Ų79.570%0.70238%0.384SS*.THydrogen-bonded Turntrans56.126.2-174.3-60-88.3000114.3A491 E492 L497A491-Y495 PolarHBondContact O-N 3.15Å; A491-Y495 VanDerWaalsContact O-N 3.1Å; E492-Y495 PolarHBondContact O-N 3.16Å; Y495-L497 VanDerWaalsContact C-N 3.26Å; Y495-L497 PolarHBondContact O-N 3.28Å
496D87.7Confident86.5Confident79 Ų7978.2 Ų78.242%0.42239%0.388SS..  trans-79.179.1170.6-171.2-16.5000109.4A491 N494 E498 R499 A500A491-D496 HydrophobicContact CB-CB 4.31Å; A491-D496 PolarHBondContact O-N 3.38Å; N494-D496 PolarHBondContact O-N 3.08Å; D496-E498 PolarHBondContact O-N 3.05Å; D496-E498 PolarHBondContact OD1-N 2.77Å; D496-R499 HydrophobicContact CB-CB 4.23Å; D496-R499 PolarHBondContact O-N 3.28Å; D496-R499 WeakPolarHBondContact OD1-CB 3.5Å; D496-R499 PolarHBondContact OD1-N 2.99Å; D496-R499 WeakPolarHBondContact OD2-CB 3.29Å; D496-A500 VanDerWaalsContact O-CB 3.3Å; D496-A500 WeakPolarHBondContact O-CB 3.24Å; D496-A500 PolarHBondContact O-N 3.25Å
497L89.6Confident87Confident136 Ų13679.2 Ų79.271%0.71240%0.397SS*.Hα-helixtrans-63.2-30.1-175.2-59.4179.8000112.7Y495 A501Y495-L497 VanDerWaalsContact C-N 3.26Å; Y495-L497 PolarHBondContact O-N 3.28Å; L497-A501 VanDerWaalsContact O-CB 3.24Å; L497-A501 WeakPolarHBondContact O-CB 3.37Å; L497-A501 PolarHBondContact O-N 3.22Å
498E92Very high87.3Confident159 Ų15976.9 Ų76.974%0.74339%0.386SS*.Hα-helixtrans-71.6-50.2179.7-172.4175.5-179.900110.2D496 A500 A501 V502D496-E498 PolarHBondContact O-N 3.05Å; D496-E498 PolarHBondContact OD1-N 2.77Å; E498-A500 PolarHBondContact O-N 3.32Å; E498-A501 PolarHBondContact O-N 2.78Å; E498-V502 WeakPolarHBondContact O-CG2 3.34Å; E498-V502 PolarHBondContact O-N 3.27Å
499R89.5Confident87.7Confident110 Ų11078.3 Ų78.342%0.41540%0.397SS..Hα-helixtrans-62.7-44.1176.7-176.261.2178.5-176.31.9111.7E487 A491 D496 A501 V502 L503E487-R499 IonicContact OE2-CZ 2.75Å; E487-R499 IonicContact OE2-NE 2.69Å; E487-R499 IonicContact OE2-NH2 3.78Å; E487-R499 PolarHBondContact OE2-NH2 3.25Å; A491-R499 HydrophobicContact CB-CB 4.07Å; A491-R499 HydrophobicContact CB-CG 3.99Å; D496-R499 HydrophobicContact CB-CB 4.23Å; D496-R499 PolarHBondContact O-N 3.28Å; D496-R499 WeakPolarHBondContact OD1-CB 3.5Å; D496-R499 PolarHBondContact OD1-N 2.99Å; D496-R499 WeakPolarHBondContact OD2-CB 3.29Å; R499-A501 VanDerWaalsContact C-N 3.32Å; R499-A501 PolarHBondContact O-N 3.03Å; R499-V502 PolarHBondContact O-N 2.91Å; R499-L503 HydrophobicContact CG-CD1 3.91Å; R499-L503 HydrophobicContact CG-CG 4.49Å; R499-L503 WeakPolarHBondContact O-CG 3.34Å; R499-L503 PolarHBondContact O-N 3.44Å
500A88.9Confident88.4Confident8 Ų879.6 Ų79.67%0.06640%0.401CS..Hα-helixtrans-59.4-42.8177.300000111.6L488 A491 E492 D496 E498 L503 R504L488-A500 HydrophobicContact CD1-CB 3.86Å; L488-A500 VanDerWaalsContact CD1-O 3.29Å; L488-A500 WeakPolarHBondContact CD1-O 3.41Å; A491-A500 HydrophobicContact CB-CB 3.89Å; E492-A500 HydrophobicContact CG-CB 4.02Å; D496-A500 VanDerWaalsContact O-CB 3.3Å; D496-A500 WeakPolarHBondContact O-CB 3.24Å; D496-A500 PolarHBondContact O-N 3.25Å; E498-A500 PolarHBondContact O-N 3.32Å; A500-L503 PolarHBondContact O-N 3.23Å; A500-R504 WeakPolarHBondContact O-CB 3.41Å; A500-R504 PolarHBondContact O-N 2.93Å
501A90.5Very high89.1Confident48 Ų4878.2 Ų78.240%0.39739%0.394SS..Hα-helixtrans-64.1-42.7177.100000112.5L497 E498 R499 H505L497-A501 VanDerWaalsContact O-CB 3.24Å; L497-A501 WeakPolarHBondContact O-CB 3.37Å; L497-A501 PolarHBondContact O-N 3.22Å; E498-A501 PolarHBondContact O-N 2.78Å; R499-A501 VanDerWaalsContact C-N 3.32Å; R499-A501 PolarHBondContact O-N 3.03Å; A501-H505 WeakPolarHBondContact O-CB 3.04Å; A501-H505 PolarHBondContact O-N 3.23Å
502V93.9Very high89.5Confident73 Ų7382.5 Ų82.544%0.44241%0.413SS..Hα-helixtrans-62.4-44.9177.1171.60000111.4E498 R499 G506 T507E498-V502 WeakPolarHBondContact O-CG2 3.34Å; E498-V502 PolarHBondContact O-N 3.27Å; R499-V502 PolarHBondContact O-N 2.91Å; V502-G506 CarbonylContact O-C 3.43Å; V502-G506 WeakPolarHBondContact O-CA 3.32Å; V502-G506 PolarHBondContact O-N 2.71Å; V502-T507 PolarHBondContact O-N 2.81Å
503L92.7Very high90.2Very high1 Ų185.5 Ų85.51%0.00542%0.424CS..Iπ-helixtrans-67.1-51.6179.1-70.3168.9000111.3E487 L488 R499 A500 T507 I508E487-L503 VanDerWaalsContact C-CD1 3.48Å; E487-L503 HydrophobicContact CB-CD1 3.6Å; E487-L503 HydrophobicContact CB-CD2 4.47Å; L488-L503 HydrophobicContact CB-CB 4.16Å; L488-L503 HydrophobicContact CB-CD1 4.27Å; L488-L503 HydrophobicContact CD1-CB 4.18Å; R499-L503 HydrophobicContact CG-CD1 3.91Å; R499-L503 HydrophobicContact CG-CG 4.49Å; R499-L503 WeakPolarHBondContact O-CG 3.34Å; R499-L503 PolarHBondContact O-N 3.44Å; A500-L503 PolarHBondContact O-N 3.23Å; L503-T507 HydrophobicContact CD2-CG2 4.37Å; L503-T507 PolarHBondContact O-N 3.06Å; L503-I508 HydrophobicContact CB-CD1 4.42Å; L503-I508 WeakPolarHBondContact O-CB 3.41Å; L503-I508 WeakPolarHBondContact O-CG1 3.14Å; L503-I508 PolarHBondContact O-N 2.72Å
504R92.4Very high91.2Very high124 Ų12485 Ų8547%0.46842%0.42SS..Iπ-helixtrans-65.8-39.6-175.7-173.4-177.2-82-160.6-11.2113.7L488 E492 A500 P509L488-R504 HydrophobicContact CD1-CB 3.87Å; L488-R504 HydrophobicContact CD2-CB 4Å; L488-R504 HydrophobicContact CD2-CG 4.29Å; E492-R504 VanDerWaalsContact CD-NH2 3.26Å; E492-R504 IonicContact OE1-CZ 2.78Å; E492-R504 IonicContact OE1-NE 3.8Å; E492-R504 PolarHBondContact OE1-NE 3.37Å; E492-R504 IonicContact OE1-NH2 3.54Å; E492-R504 PolarHBondContact OE1-NH2 3.18Å; E492-R504 IonicContact OE2-NH2 3.84Å; E492-R504 PolarHBondContact OE2-NH2 3Å; A500-R504 WeakPolarHBondContact O-CB 3.41Å; A500-R504 PolarHBondContact O-N 2.93Å; R504-P509 VanDerWaalsContact O-CD 3.29Å; R504-P509 WeakPolarHBondContact O-CD 3.48Å; R504-P509 VanDerWaalsContact O-CG 3.23Å; R504-P509 WeakPolarHBondContact O-CG 3.31Å
505H91.7Very high91.9Very high148 Ų14879.9 Ų79.969%0.68539%0.392SS*.Iπ-helixtrans-108.6-6.6-173.7-61.5-58.5000114.2A501A501-H505 WeakPolarHBondContact O-CB 3.04Å; A501-H505 PolarHBondContact O-N 3.23Å
506G92.7Very high92.4Very high37 Ų3773.9 Ų73.938%0.38138%0.379SS..Iπ-helixtrans-120.6-73.8179.600000112.4V502 K510V502-G506 CarbonylContact O-C 3.43Å; V502-G506 WeakPolarHBondContact O-CA 3.32Å; V502-G506 PolarHBondContact O-N 2.71Å; G506-K510 VanDerWaalsContact O-CB 3.3Å; G506-K510 WeakPolarHBondContact O-CB 3.4Å; G506-K510 PolarHBondContact O-N 3.22Å
507T93.3Very high92.6Very high51 Ų5174.7 Ų74.731%0.31338%0.384SS..Iπ-helixtrans-65.8-53.5-169.5-52.60000112.9A484 V502 L503 K510 L511A484-T507 HydrophobicContact CB-CG2 4.34Å; V502-T507 PolarHBondContact O-N 2.81Å; L503-T507 HydrophobicContact CD2-CG2 4.37Å; L503-T507 PolarHBondContact O-N 3.06Å; T507-K510 WeakPolarHBondContact O-CB 3.47Å; T507-K510 PolarHBondContact O-N 2.88Å; T507-L511 HydrophobicContact CG2-CD1 3.83Å; T507-L511 HydrophobicContact CG2-CG 4.31Å; T507-L511 WeakPolarHBondContact O-CG 3.42Å; T507-L511 PolarHBondContact O-N 2.8Å
508I93.9Very high92.5Very high13 Ų1370.2 Ų70.27%0.06736%0.361CS..Hα-helixtrans-62-51.6-176.2-68.9167.9000111L481 A484 K485 L488 L503 K510 L511 E512L481-I508 HydrophobicContact CD1-CG2 3.94Å; A484-I508 HydrophobicContact CB-CG1 3.87Å; K485-I508 HydrophobicContact CG-CD1 4.41Å; L488-I508 HydrophobicContact CB-CD1 3.92Å; L488-I508 HydrophobicContact CD2-CD1 3.64Å; L488-I508 HydrophobicContact CG-CD1 4.38Å; L503-I508 HydrophobicContact CB-CD1 4.42Å; L503-I508 WeakPolarHBondContact O-CB 3.41Å; L503-I508 WeakPolarHBondContact O-CG1 3.14Å; L503-I508 PolarHBondContact O-N 2.72Å; I508-K510 PolarHBondContact O-N 3.41Å; I508-L511 PolarHBondContact O-N 2.84Å; I508-L511 VanDerWaalsContact O-N 3.08Å; I508-E512 HydrophobicContact CG2-CG 4.2Å; I508-E512 WeakPolarHBondContact O-CG 2.91Å; I508-E512 PolarHBondContact O-N 2.82Å
509P95.5Very high92.2Very high53 Ų5365.2 Ų65.234%0.34434%0.337SS..Hα-helixtrans-59.5-32.3177.6-25.935.1000113.8R504 K513R504-P509 VanDerWaalsContact O-CD 3.29Å; R504-P509 WeakPolarHBondContact O-CD 3.48Å; R504-P509 VanDerWaalsContact O-CG 3.23Å; R504-P509 WeakPolarHBondContact O-CG 3.31Å; P509-K513 WeakPolarHBondContact O-CB 3.36Å; P509-K513 PolarHBondContact O-N 3.22Å; P509-K513 VanDerWaalsContact O-N 3.15Å
510K95.7Very high91.9Very high129 Ų12964.3 Ų64.356%0.56134%0.338SS*.Hα-helixtrans-68.4-47.5174.7179-175.5166.1-171.50111.1G506 T507 I508 K513 E514G506-K510 VanDerWaalsContact O-CB 3.3Å; G506-K510 WeakPolarHBondContact O-CB 3.4Å; G506-K510 PolarHBondContact O-N 3.22Å; T507-K510 WeakPolarHBondContact O-CB 3.47Å; T507-K510 PolarHBondContact O-N 2.88Å; I508-K510 PolarHBondContact O-N 3.41Å; K510-K513 PolarHBondContact O-N 3.44Å; K510-E514 WeakPolarHBondContact CE-OE1 3.49Å; K510-E514 IonicContact NZ-OE1 3.86Å; K510-E514 WeakPolarHBondContact O-CG 3.28Å; K510-E514 PolarHBondContact O-N 3.43Å
511L95Very high91.6Very high16 Ų1669.9 Ų69.98%0.08436%0.36CS..Hα-helixtrans-64.1-42.2178.7-70.9174.5000111.7K477 E480 L481 A484 T507 I508 K513 E514 L515K477-L511 HydrophobicContact CD-CD2 3.72Å; E480-L511 HydrophobicContact CB-CD1 4.41Å; E480-L511 HydrophobicContact CB-CD2 4.33Å; L481-L511 HydrophobicContact CB-CB 4.41Å; L481-L511 HydrophobicContact CD1-CB 3.93Å; A484-L511 HydrophobicContact CB-CD1 3.84Å; T507-L511 HydrophobicContact CG2-CD1 3.83Å; T507-L511 HydrophobicContact CG2-CG 4.31Å; T507-L511 WeakPolarHBondContact O-CG 3.42Å; T507-L511 PolarHBondContact O-N 2.8Å; I508-L511 PolarHBondContact O-N 2.84Å; I508-L511 VanDerWaalsContact O-N 3.08Å; L511-K513 VanDerWaalsContact C-N 3.29Å; L511-K513 PolarHBondContact O-N 3.01Å; L511-E514 PolarHBondContact O-N 2.91Å; L511-L515 VanDerWaalsContact O-CB 3.27Å; L511-L515 WeakPolarHBondContact O-CB 3.2Å; L511-L515 PolarHBondContact O-N 3.28Å
512E93.7Very high90.8Very high96 Ų9668.1 Ų68.145%0.44934%0.344SS..Hα-helixtrans-58-42.9173.8-73.3177.9160.100111.5L481 I508 A516L481-E512 HydrophobicContact CD1-CG 3.83Å; L481-E512 HydrophobicContact CD2-CG 4.05Å; I508-E512 HydrophobicContact CG2-CG 4.2Å; I508-E512 WeakPolarHBondContact O-CG 2.91Å; I508-E512 PolarHBondContact O-N 2.82Å; E512-A516 WeakPolarHBondContact O-CB 3.15Å; E512-A516 PolarHBondContact O-N 2.89Å
513K95Very high89.7Confident140 Ų14071.2 Ų71.261%0.60935%0.352SS*.Hα-helixtrans-66.5-47176.7-173-176.4176.6-173.40112.1P509 K510 L511 L515 A516 D517P509-K513 WeakPolarHBondContact O-CB 3.36Å; P509-K513 PolarHBondContact O-N 3.22Å; P509-K513 VanDerWaalsContact O-N 3.15Å; K510-K513 PolarHBondContact O-N 3.44Å; L511-K513 VanDerWaalsContact C-N 3.29Å; L511-K513 PolarHBondContact O-N 3.01Å; K513-L515 VanDerWaalsContact C-N 3.3Å; K513-L515 PolarHBondContact O-N 2.85Å; K513-A516 PolarHBondContact O-N 2.99Å; K513-D517 WeakPolarHBondContact O-CB 3.3Å; K513-D517 VanDerWaalsContact O-CG 3.3Å; K513-D517 PolarHBondContact O-N 3.47Å
514E94.5Very high88.4Confident61 Ų6178 Ų7829%0.28538%0.381SS..Hα-helixtrans-60.5-41.2177.5-74.3176.4-179.300111.6K477 K510 L511 D517 L518K477-E514 HydrophobicContact CD-CB 4.27Å; K477-E514 WeakPolarHBondContact CE-OE2 3.27Å; K477-E514 IonicContact NZ-OE2 3.81Å; K477-E514 PolarHBondContact NZ-OE2 3.28Å; K510-E514 WeakPolarHBondContact CE-OE1 3.49Å; K510-E514 IonicContact NZ-OE1 3.86Å; K510-E514 WeakPolarHBondContact O-CG 3.28Å; K510-E514 PolarHBondContact O-N 3.43Å; L511-E514 PolarHBondContact O-N 2.91Å; E514-D517 PolarHBondContact O-N 2.88Å; E514-L518 VanDerWaalsContact O-CG 3.3Å; E514-L518 WeakPolarHBondContact O-CG 3.48Å; E514-L518 PolarHBondContact O-N 3.32Å
515L90.3Very high86.9Confident17 Ų1774 Ų749%0.08937%0.372CS..Hα-helixtrans-63.2-47.2175.4-178.861.4000111.3V474 K477 R478 L481 L511 K513 D517 L518 E519V474-L515 HydrophobicContact CG1-CD1 3.96Å; K477-L515 HydrophobicContact CB-CD1 4.19Å; K477-L515 HydrophobicContact CG-CB 3.91Å; K477-L515 HydrophobicContact CG-CD1 4.07Å; R478-L515 HydrophobicContact CG-CD1 3.69Å; R478-L515 HydrophobicContact CG-CD2 3.79Å; R478-L515 HydrophobicContact CG-CG 4.41Å; L481-L515 HydrophobicContact CD2-CD2 3.93Å; L511-L515 VanDerWaalsContact O-CB 3.27Å; L511-L515 WeakPolarHBondContact O-CB 3.2Å; L511-L515 PolarHBondContact O-N 3.28Å; K513-L515 VanDerWaalsContact C-N 3.3Å; K513-L515 PolarHBondContact O-N 2.85Å; L515-D517 VanDerWaalsContact C-N 3.31Å; L515-D517 PolarHBondContact O-N 2.84Å; L515-L518 PolarHBondContact O-N 3.19Å; L515-E519 HydrophobicContact CD1-CG 4.32Å; L515-E519 WeakPolarHBondContact O-CG 3.46Å; L515-E519 PolarHBondContact O-N 2.68Å
516A91.5Very high85Confident52 Ų5274.8 Ų74.843%0.4338%0.381SS..Hα-helixtrans-60.9-40177.300000112.2E512 K513 E520E512-A516 WeakPolarHBondContact O-CB 3.15Å; E512-A516 PolarHBondContact O-N 2.89Å; K513-A516 PolarHBondContact O-N 2.99Å; A516-E520 VanDerWaalsContact O-CB 3.25Å; A516-E520 WeakPolarHBondContact O-CB 3.37Å; A516-E520 PolarHBondContact O-N 3.5Å
517D92.1Very high83.4Confident97 Ų9779.5 Ų79.552%0.51940%0.396SS..Hα-helixtrans-65.4-39.8176.6-71.7-23.3000111.5K513 E514 L515 K521K513-D517 WeakPolarHBondContact O-CB 3.3Å; K513-D517 VanDerWaalsContact O-CG 3.3Å; K513-D517 PolarHBondContact O-N 3.47Å; E514-D517 PolarHBondContact O-N 2.88Å; L515-D517 VanDerWaalsContact C-N 3.31Å; L515-D517 PolarHBondContact O-N 2.84Å; D517-K521 WeakPolarHBondContact O-CB 3.27Å; D517-K521 PolarHBondContact O-N 3.01Å
518L88Confident82.1Confident42 Ų4280.8 Ų80.822%0.2240%0.398CS..Hα-helixtrans-66.3-47175.2-74.1166.9000112V473 V474 K477 E514 L515 E520 K521 N522V473-L518 HydrophobicContact CG1-CD1 3.84Å; V473-L518 HydrophobicContact CG1-CD2 3.87Å; V474-L518 HydrophobicContact CG2-CB 3.99Å; K477-L518 HydrophobicContact CB-CD1 4.1Å; K477-L518 HydrophobicContact CG-CD1 4.12Å; E514-L518 VanDerWaalsContact O-CG 3.3Å; E514-L518 WeakPolarHBondContact O-CG 3.48Å; E514-L518 PolarHBondContact O-N 3.32Å; L515-L518 PolarHBondContact O-N 3.19Å; L518-E520 VanDerWaalsContact C-N 3.32Å; L518-E520 PolarHBondContact O-N 3.48Å; L518-K521 WeakPolarHBondContact O-CB 3.4Å; L518-K521 PolarHBondContact O-N 2.81Å; L518-N522 PolarHBondContact O-N 2.76Å; L518-N522 PolarHBondContact O-OD1 3.35Å
519E84.7Confident80.8Confident54 Ų5482 Ų8225%0.25240%0.404SS..Hα-helixtrans-63-39.3177.9-72.6-175.7170.700111.9V474 R478 L515 N522 K523V474-E519 HydrophobicContact CG1-CG 4.25Å; R478-E519 IonicContact CZ-OE1 2.85Å; R478-E519 IonicContact NE-OE1 2.64Å; R478-E519 PolarHBondContact NE-OE1 2.88Å; R478-E519 IonicContact NH2-OE1 3.74Å; R478-E519 PolarHBondContact NH2-OE1 3.09Å; L515-E519 HydrophobicContact CD1-CG 4.32Å; L515-E519 WeakPolarHBondContact O-CG 3.46Å; L515-E519 PolarHBondContact O-N 2.68Å; E519-N522 PolarHBondContact O-N 2.84Å; E519-K523 WeakPolarHBondContact O-CG 3.44Å; E519-K523 PolarHBondContact O-N 2.85Å
520E84.7Confident79.5Confident91 Ų9180 Ų8043%0.42539%0.39SS..Hα-helixtrans-67.8-34.8176.1-17961.2-164.800112.2A516 L518 K524A516-E520 VanDerWaalsContact O-CB 3.25Å; A516-E520 WeakPolarHBondContact O-CB 3.37Å; A516-E520 PolarHBondContact O-N 3.5Å; L518-E520 VanDerWaalsContact C-N 3.32Å; L518-E520 PolarHBondContact O-N 3.48Å; E520-K524 WeakPolarHBondContact OE1-CE 3.24Å; E520-K524 IonicContact OE1-NZ 3.56Å; E520-K524 PolarHBondContact OE1-NZ 3.13Å
521K81.3Confident78.5Confident125 Ų12578.1 Ų78.154%0.54338%0.383SS..Hα-helixtrans-65.5-46.3172.6-171.4-170.4171.5-132.30110.8E470 D517 L518 K523 K524E470-K521 IonicContact OE1-NZ 3.1Å; E470-K521 PolarHBondContact OE1-NZ 3.1Å; D517-K521 WeakPolarHBondContact O-CB 3.27Å; D517-K521 PolarHBondContact O-N 3.01Å; L518-K521 WeakPolarHBondContact O-CB 3.4Å; L518-K521 PolarHBondContact O-N 2.81Å; K521-K523 PolarHBondContact O-N 3.24Å; K521-K524 PolarHBondContact O-N 2.8Å
522N74.7Confident77.8Confident10 Ų1078.7 Ų78.75%0.05339%0.386CS..Hα-helixtrans-67.8-20.2179.7-73.314.2000113.4E470 V474 L518 E519 S525 K528E470-N522 PolarHBondContact O-ND2 3.28Å; V474-N522 WeakPolarHBondContact CG2-ND2 3.45Å; L518-N522 PolarHBondContact O-N 2.76Å; L518-N522 PolarHBondContact O-OD1 3.35Å; E519-N522 PolarHBondContact O-N 2.84Å; N522-S525 PolarHBondContact O-OG 3.26Å; N522-S525 VanDerWaalsContact O-OG 3.1Å; N522-K528 WeakPolarHBondContact O-CE 3.15Å; N522-K528 PolarHBondContact O-NZ 2.59Å
523K70.7Confident77.5Confident138 Ų13875.5 Ų75.560%0.637%0.374SS*.Hα-helixtrans-77.8-23.6175.5-80.3173.4-175.7167.50113.9E519 K521 S525E519-K523 WeakPolarHBondContact O-CG 3.44Å; E519-K523 PolarHBondContact O-N 2.85Å; K521-K523 PolarHBondContact O-N 3.24Å; K523-S525 VanDerWaalsContact C-N 3.34Å
524K64.6Low77.3Confident145 Ų14568.8 Ų68.863%0.6335%0.345SS*.SBendtrans-83.6-6.9-174.1-72.5175.3-176.3162.30114.3E520 K521 D526E520-K524 WeakPolarHBondContact OE1-CE 3.24Å; E520-K524 IonicContact OE1-NZ 3.56Å; E520-K524 PolarHBondContact OE1-NZ 3.13Å; K521-K524 PolarHBondContact O-N 2.8Å; K524-D526 PolarHBondContact O-N 3.26Å
525S60.9Low77.2Confident40 Ų4067.1 Ų67.128%0.2834%0.339SS..  trans-78.596.1171.257.20000109N522 K523 I527 K528N522-S525 PolarHBondContact O-OG 3.26Å; N522-S525 VanDerWaalsContact O-OG 3.1Å; K523-S525 VanDerWaalsContact C-N 3.34Å; S525-I527 PolarHBondContact O-N 3.16Å; S525-K528 WeakPolarHBondContact OG-CE 3.49Å
526D53.5Low77Confident163 Ų16369.2 Ų69.287%0.87235%0.348SS*.SBendtrans-63.3-22-176-81.1-24.8000113.8K524K524-D526 PolarHBondContact O-N 3.26Å
527I58.2Low76.9Confident136 Ų13670.2 Ų70.270%0.69735%0.346SS*.  trans-125.1102.6-178.8-52.3171.5000107.7Q463 S525Q463-I527 PolarHBondContact NE2-O 2.8Å; S525-I527 PolarHBondContact O-N 3.16Å
528K66.8Low76.7Confident78 Ų7866.3 Ų66.334%0.33933%0.325SS..  trans-99.7133.4172-68.4-173.6175.7178.30109.8E467 N522 S525 E532E467-K528 WeakPolarHBondContact OE1-CA 3.16Å; N522-K528 WeakPolarHBondContact O-CE 3.15Å; N522-K528 PolarHBondContact O-NZ 2.59Å; S525-K528 WeakPolarHBondContact OG-CE 3.49Å; K528-E532 IonicContact NZ-OE1 2.87Å; K528-E532 PolarHBondContact NZ-OE1 3.14Å
529M66.7Low76.9Confident40 Ų4064.3 Ų64.320%0.19731%0.314CS..SBendtrans-74.5-20.3166.1-70.4-168.6171.500112P411 M460 Q463 W464 E467P411-M529 HydrophobicContact CG-CB 4.19Å; M460-M529 HydrophobicContact CB-CE 3.63Å; M460-M529 HydrophobicContact CB-SD 4.17Å; M460-M529 HydrophobicContact CG-CE 3.52Å; M460-M529 VanDerWaalsContact O-SD 3.39Å; M460-M529 HydrophobicContact SD-CE 4.34Å; Q463-M529 HydrophobicContact CB-CE 4.47Å; Q463-M529 HydrophobicContact CB-SD 4.26Å; Q463-M529 HydrophobicContact CG-CE 4.44Å; Q463-M529 HydrophobicContact CG-CG 4.31Å; Q463-M529 HydrophobicContact CG-SD 4.19Å; Q463-M529 VanDerWaalsContact OE1-CE 3.32Å; W464-M529 HydrophobicContact CB-SD 4.29Å; E467-M529 PolarHBondContact OE1-N 3.19Å; E467-M529 VanDerWaalsContact OE1-N 3.15Å; E467-M529 WeakPolarHBondContact OE2-CA 3.24Å; E467-M529 PolarHBondContact OE2-N 3.05Å
530V67.5Low77Confident9 Ų962 Ų626%0.05530%0.304CS..SBendtrans-111.1118.4-175.4-174.60000111.4M407 E467 E532M407-V530 HydrophobicContact CB-CG1 3.85Å; M407-V530 HydrophobicContact CE-CG1 3.66Å; M407-V530 HydrophobicContact CG-CG1 3.41Å; M407-V530 VanDerWaalsContact CG-CG1 3.41Å; M407-V530 HydrophobicContact SD-CG1 4.25Å; E467-V530 HydrophobicContact CB-CG2 4.24Å; E467-V530 PolarHBondContact OE2-N 2.97Å; V530-E532 PolarHBondContact O-N 2.92Å
531Q73.9Confident77.1Confident91 Ų9162.9 Ų62.943%0.42531%0.308SS..  trans-78.1107.9164.3-176.3171.6-25.200108.7I403 M407 S533 E538I403-Q531 HydrophobicContact CD1-CG 4.11Å; I403-Q531 VanDerWaalsContact CG2-O 3.32Å; I403-Q531 WeakPolarHBondContact CG2-O 3.46Å; M407-Q531 WeakPolarHBondContact CG-O 3.49Å; Q531-S533 PolarHBondContact NE2-O 2.87Å; Q531-E538 PolarHBondContact NE2-OE1 3.14Å
532E79.8Confident77.5Confident28 Ų2857 Ų5713%0.13128%0.283CS..  trans-101.1-5.917968.4-179.915900113.4V365 N366 M407 V471 K528 V530V365-E532 WeakPolarHBondContact CA-O 3.09Å; V365-E532 WeakPolarHBondContact CB-O 3.42Å; N366-E532 PolarHBondContact N-O 3.24Å; M407-E532 HydrophobicContact CE-CB 3.99Å; M407-E532 HydrophobicContact SD-CB 4.05Å; V471-E532 WeakPolarHBondContact CG1-OE2 3.49Å; V471-E532 HydrophobicContact CG2-CB 4.31Å; V471-E532 WeakPolarHBondContact CG2-OE2 3.45Å; K528-E532 IonicContact NZ-OE1 2.87Å; K528-E532 PolarHBondContact NZ-OE1 3.14Å; V530-E532 PolarHBondContact O-N 2.92Å
533S87.7Confident77.9Confident28 Ų2856.6 Ų56.620%0.19628%0.281CS..EExtended strand (participates in β ladder)trans-105.9130.7-170.962.30000113.3N366 Q531N366-S533 CarbonylContact O-C 3.38Å; N366-S533 WeakPolarHBondContact O-CA 3.19Å; Q531-S533 PolarHBondContact NE2-O 2.87Å
534V91.7Very high78.1Confident0 Ų050.7 Ų50.70%026%0.26CS..EExtended strand (participates in β ladder)trans-85.6118.9166.7-176.50000108.8V365 N366 I367 H368 A371 A399 I403 E538 I539V365-V534 HydrophobicContact CG2-CG2 4.18Å; N366-V534 PolarHBondContact O-N 3.16Å; I367-V534 HydrophobicContact CG1-CB 4.23Å; I367-V534 HydrophobicContact CG1-CG2 4.3Å; I367-V534 HydrophobicContact CG2-CB 4.43Å; H368-V534 WeakPolarHBondContact CB-O 3.2Å; H368-V534 PolarHBondContact N-O 3.12Å; A371-V534 HydrophobicContact CB-CG1 4.09Å; A371-V534 WeakPolarHBondContact CB-O 3.49Å; A399-V534 HydrophobicContact CB-CG1 3.69Å; I403-V534 HydrophobicContact CB-CG2 4.41Å; I403-V534 HydrophobicContact CG1-CG2 3.97Å; V534-E538 HydrophobicContact CG1-CB 4.24Å; V534-I539 HydrophobicContact CG1-CD1 4.22Å; V534-I539 HydrophobicContact CG1-CG1 4.44Å
535T91.1Very high78.9Confident26 Ų2650.9 Ų50.916%0.1626%0.256CS..  trans-118-176.4179.879.90000111A371 N537 E538 I539A371-T535 WeakPolarHBondContact CB-O 3.46Å; T535-N537 PolarHBondContact O-N 2.8Å; T535-N537 PolarHBondContact OG1-N 2.81Å; T535-E538 VanDerWaalsContact CA-OE2 3.27Å; T535-E538 WeakPolarHBondContact CA-OE2 3.18Å; T535-E538 VanDerWaalsContact CB-OE2 3.23Å; T535-E538 WeakPolarHBondContact CB-OE2 3.42Å; T535-E538 PolarHBondContact N-OE2 3.21Å; T535-E538 PolarHBondContact O-N 2.81Å; T535-E538 PolarHBondContact OG1-OE2 2.81Å; T535-I539 WeakPolarHBondContact O-CG1 3.3Å; T535-I539 PolarHBondContact O-N 2.87Å
536E87.8Confident79.8Confident60 Ų6053.1 Ų53.128%0.2827%0.265SS..Hα-helixtrans-59.3-26.4173.863.1-179.7176.800112.7A374 A540 K553A374-E536 HydrophobicContact CB-CB 3.92Å; E536-A540 WeakPolarHBondContact O-CB 3.35Å; E536-A540 PolarHBondContact O-N 3.27Å; E536-K553 VanDerWaalsContact CD-NZ 3.27Å; E536-K553 IonicContact OE1-NZ 3.85Å; E536-K553 PolarHBondContact OE1-NZ 2.57Å; E536-K553 IonicContact OE2-NZ 3.28Å; E536-K553 PolarHBondContact OE2-NZ 2.82Å; E536-K553 VanDerWaalsContact OE2-NZ 3.09Å
537N87.7Confident80.5Confident73 Ų7347.5 Ų47.539%0.3924%0.236SC..Hα-helixtrans-71.2-45.7-178.5-69.9-23.3000111.8T535 I539 A540 Q541T535-N537 PolarHBondContact O-N 2.8Å; T535-N537 PolarHBondContact OG1-N 2.81Å; N537-I539 VanDerWaalsContact C-N 3.3Å; N537-I539 PolarHBondContact O-N 2.92Å; N537-A540 PolarHBondContact O-N 3.26Å; N537-A540 VanDerWaalsContact O-N 3.13Å; N537-Q541 WeakPolarHBondContact O-CG 3.49Å; N537-Q541 PolarHBondContact O-N 3.41Å
538E89.7Confident80.7Confident15 Ų1543.7 Ų43.77%0.0723%0.231CC..Hα-helixtrans-64-40.5179.7-7062.5-127.100110.3A399 I403 Q531 V534 T535 A540 Q541 V542A399-E538 HydrophobicContact CB-CB 4.14Å; I403-E538 HydrophobicContact CD1-CG 3.76Å; I403-E538 HydrophobicContact CG1-CG 4.05Å; Q531-E538 PolarHBondContact NE2-OE1 3.14Å; V534-E538 HydrophobicContact CG1-CB 4.24Å; T535-E538 VanDerWaalsContact CA-OE2 3.27Å; T535-E538 WeakPolarHBondContact CA-OE2 3.18Å; T535-E538 VanDerWaalsContact CB-OE2 3.23Å; T535-E538 WeakPolarHBondContact CB-OE2 3.42Å; T535-E538 PolarHBondContact N-OE2 3.21Å; T535-E538 PolarHBondContact O-N 2.81Å; T535-E538 PolarHBondContact OG1-OE2 2.81Å; E538-A540 PolarHBondContact O-N 2.97Å; E538-Q541 PolarHBondContact O-N 2.88Å; E538-V542 WeakPolarHBondContact O-CG2 3.49Å; E538-V542 PolarHBondContact O-N 3.31Å
539I92.2Very high80.2Confident0 Ų040.5 Ų40.50%022%0.217CC..Hα-helixtrans-60.3-47.1172.8-60.1-63.5000110.7A371 A374 A375 L378 L395 V396 A399 V534 T535 N537 Q541 V542 V543A371-I539 HydrophobicContact CB-CG1 4.03Å; A374-I539 HydrophobicContact CB-CB 4.31Å; A374-I539 HydrophobicContact CB-CG2 4.15Å; A375-I539 HydrophobicContact CB-CD1 4.07Å; A375-I539 HydrophobicContact CB-CG1 4.46Å; A375-I539 HydrophobicContact CB-CG2 4.11Å; L378-I539 HydrophobicContact CD1-CG2 4.18Å; L395-I539 HydrophobicContact CB-CD1 4.41Å; L395-I539 HydrophobicContact CD1-CG2 4.19Å; V396-I539 HydrophobicContact CG2-CD1 4.2Å; A399-I539 HydrophobicContact CB-CD1 3.75Å; V534-I539 HydrophobicContact CG1-CD1 4.22Å; V534-I539 HydrophobicContact CG1-CG1 4.44Å; T535-I539 WeakPolarHBondContact O-CG1 3.3Å; T535-I539 PolarHBondContact O-N 2.87Å; N537-I539 VanDerWaalsContact C-N 3.3Å; N537-I539 PolarHBondContact O-N 2.92Å; I539-Q541 VanDerWaalsContact C-N 3.31Å; I539-Q541 PolarHBondContact O-N 2.87Å; I539-V542 PolarHBondContact O-N 3.05Å; I539-V543 HydrophobicContact CG2-CG2 4.39Å; I539-V543 VanDerWaalsContact O-CG2 3.3Å; I539-V543 WeakPolarHBondContact O-CG2 3.41Å; I539-V543 PolarHBondContact O-N 3.07Å
540A85.3Confident79.9Confident5 Ų541.2 Ų41.24%0.04123%0.225CC..Hα-helixtrans-63.2-36.5179.200000112.6L378 E536 N537 E538 G544 V551 T552L378-A540 HydrophobicContact CD1-CB 4.18Å; E536-A540 WeakPolarHBondContact O-CB 3.35Å; E536-A540 PolarHBondContact O-N 3.27Å; N537-A540 PolarHBondContact O-N 3.26Å; N537-A540 VanDerWaalsContact O-N 3.13Å; E538-A540 PolarHBondContact O-N 2.97Å; A540-G544 PolarHBondContact O-N 2.75Å; A540-V551 HydrophobicContact CB-CB 4.21Å; A540-T552 HydrophobicContact CB-CG2 4.12Å
541Q86.6Confident79.6Confident110 Ų11041.5 Ų41.551%0.51423%0.227SC..Hα-helixtrans-64.5-44.7174.1-73.2173.70.500111.7N537 E538 I539 G544 R545N537-Q541 WeakPolarHBondContact O-CG 3.49Å; N537-Q541 PolarHBondContact O-N 3.41Å; E538-Q541 PolarHBondContact O-N 2.88Å; I539-Q541 VanDerWaalsContact C-N 3.31Å; I539-Q541 PolarHBondContact O-N 2.87Å; Q541-G544 PolarHBondContact O-N 2.85Å; Q541-R545 WeakPolarHBondContact O-CB 3.42Å; Q541-R545 PolarHBondContact O-N 2.84Å
542V89.8Confident78.8Confident3 Ų338.7 Ų38.72%0.01822%0.216CC..Hα-helixtrans-61.8-49.5176174.90000110.5L395 E398 A399 E538 I539 G544 R545 L546L395-V542 HydrophobicContact CD2-CB 4.23Å; L395-V542 HydrophobicContact CD2-CG1 3.51Å; E398-V542 HydrophobicContact CB-CG1 4.05Å; E398-V542 VanDerWaalsContact CD-CG1 3.43Å; E398-V542 HydrophobicContact CG-CG1 3.95Å; E398-V542 HydrophobicContact CG-CG2 4.25Å; E398-V542 WeakPolarHBondContact OE2-CG1 3.29Å; A399-V542 HydrophobicContact CB-CG2 4.04Å; E538-V542 WeakPolarHBondContact O-CG2 3.49Å; E538-V542 PolarHBondContact O-N 3.31Å; I539-V542 PolarHBondContact O-N 3.05Å; V542-G544 VanDerWaalsContact C-N 3.25Å; V542-G544 PolarHBondContact O-N 3.42Å; V542-R545 PolarHBondContact O-N 3.26Å; V542-R545 VanDerWaalsContact O-N 3.16Å; V542-L546 HydrophobicContact CG1-CD1 3.93Å; V542-L546 HydrophobicContact CG1-CG 4.33Å; V542-L546 WeakPolarHBondContact O-CG 3.09Å; V542-L546 PolarHBondContact O-N 2.84Å
543V83.6Confident77.6Confident0 Ų044.2 Ų44.20%024%0.239CC..Hα-helixtrans-56.7-44.7176.1177.60000110L378 Y382 L395 I539 R545 L546 T547 V551L378-V543 HydrophobicContact CB-CG2 4.09Å; Y382-V543 HydrophobicContact CD2-CG1 4.38Å; Y382-V543 HydrophobicContact CG-CG1 4.19Å; L395-V543 HydrophobicContact CD1-CG2 3.43Å; L395-V543 VanDerWaalsContact CD1-CG2 3.43Å; L395-V543 HydrophobicContact CD2-CG2 3.69Å; L395-V543 HydrophobicContact CG-CG2 4.22Å; I539-V543 HydrophobicContact CG2-CG2 4.39Å; I539-V543 VanDerWaalsContact O-CG2 3.3Å; I539-V543 WeakPolarHBondContact O-CG2 3.41Å; I539-V543 PolarHBondContact O-N 3.07Å; V543-R545 VanDerWaalsContact C-N 3.34Å; V543-R545 PolarHBondContact O-N 3.38Å; V543-L546 PolarHBondContact O-N 2.89Å; V543-T547 HydrophobicContact CG1-CG2 4.11Å; V543-T547 WeakPolarHBondContact O-CB 3.5Å; V543-T547 WeakPolarHBondContact O-CG2 3.32Å; V543-T547 PolarHBondContact O-N 2.96Å; V543-T547 PolarHBondContact O-OG1 2.85Å; V543-V551 HydrophobicContact CB-CG2 4.12Å; V543-V551 HydrophobicContact CG1-CB 4.43Å; V543-V551 HydrophobicContact CG1-CG2 3.57Å
544G75.7Confident75.7Confident15 Ų1546.5 Ų46.516%0.15525%0.249CC..Hα-helixtrans-66.8-33.1-179.800000114.4A540 Q541 V542 G548 I549A540-G544 PolarHBondContact O-N 2.75Å; Q541-G544 PolarHBondContact O-N 2.85Å; V542-G544 VanDerWaalsContact C-N 3.25Å; V542-G544 PolarHBondContact O-N 3.42Å; G544-G548 CarbonylContact O-C 3.44Å; G544-G548 WeakPolarHBondContact O-CA 3.42Å; G544-G548 PolarHBondContact O-N 3.13Å; G544-I549 WeakPolarHBondContact CA-O 3.49Å; G544-I549 PolarHBondContact O-N 3.01Å
545R80.8Confident73.7Confident149 Ų14950.4 Ų50.456%0.56227%0.272SS*.Hα-helixtrans-68.1-43171.5178.7170.558.2-149.7-0.7112.3E398 Q541 V542 V543E398-R545 IonicContact OE1-CZ 3.63Å; E398-R545 IonicContact OE1-NE 3.71Å; E398-R545 PolarHBondContact OE1-NE 3.07Å; E398-R545 IonicContact OE1-NH2 2.92Å; E398-R545 PolarHBondContact OE1-NH2 3.35Å; Q541-R545 WeakPolarHBondContact O-CB 3.42Å; Q541-R545 PolarHBondContact O-N 2.84Å; V542-R545 PolarHBondContact O-N 3.26Å; V542-R545 VanDerWaalsContact O-N 3.16Å; V543-R545 VanDerWaalsContact C-N 3.34Å; V543-R545 PolarHBondContact O-N 3.38Å
546L79.6Confident71.9Confident87 Ų8756.9 Ų56.946%0.45530%0.301SS..Hα-helixtrans-70.3-34.8-179-70.8176.3000112.8I383 L395 V542 V543I383-L546 HydrophobicContact CD1-CD1 4.36Å; L395-L546 HydrophobicContact CD2-CD1 3.81Å; V542-L546 HydrophobicContact CG1-CD1 3.93Å; V542-L546 HydrophobicContact CG1-CG 4.33Å; V542-L546 WeakPolarHBondContact O-CG 3.09Å; V542-L546 PolarHBondContact O-N 2.84Å; V543-L546 PolarHBondContact O-N 2.89Å
547T68.8Low70.7Confident44 Ų4456 Ų5627%0.2731%0.309SS..Hα-helixtrans-104.8-15.8-17362.40000113.8I383 V543 I549I383-T547 HydrophobicContact CG1-CG2 4.01Å; V543-T547 HydrophobicContact CG1-CG2 4.11Å; V543-T547 WeakPolarHBondContact O-CB 3.5Å; V543-T547 WeakPolarHBondContact O-CG2 3.32Å; V543-T547 PolarHBondContact O-N 2.96Å; V543-T547 PolarHBondContact O-OG1 2.85Å; T547-I549 VanDerWaalsContact C-N 3.33Å; T547-I549 VanDerWaalsContact CB-CD1 3.48Å; T547-I549 HydrophobicContact CG2-CD1 4.34Å; T547-I549 VanDerWaalsContact OG1-CD1 3.29Å; T547-I549 WeakPolarHBondContact OG1-CD1 3.41Å; T547-I549 WeakPolarHBondContact OG1-CG1 3.35Å; T547-I549 PolarHBondContact OG1-N 3.31Å
548G61.1Low69.7Low57 Ų5754 Ų5459%0.58830%0.297SS*.SBendtrans78.211.1-170.900000114.4G544G544-G548 CarbonylContact O-C 3.44Å; G544-G548 WeakPolarHBondContact O-CA 3.42Å; G544-G548 PolarHBondContact O-N 3.13Å
549I57.6Low68.8Low10 Ų1060.9 Ų60.95%0.05132%0.322CS..  trans-113.3124.8-170.8-49.1153000110.6Y382 G544 T547 V551 Y674Y382-I549 HydrophobicContact CD1-CD1 3.9Å; G544-I549 WeakPolarHBondContact CA-O 3.49Å; G544-I549 PolarHBondContact O-N 3.01Å; T547-I549 VanDerWaalsContact C-N 3.33Å; T547-I549 VanDerWaalsContact CB-CD1 3.48Å; T547-I549 HydrophobicContact CG2-CD1 4.34Å; T547-I549 VanDerWaalsContact OG1-CD1 3.29Å; T547-I549 WeakPolarHBondContact OG1-CD1 3.41Å; T547-I549 WeakPolarHBondContact OG1-CG1 3.35Å; T547-I549 PolarHBondContact OG1-N 3.31Å; I549-V551 HydrophobicContact CB-CG2 4.29Å; I549-V551 HydrophobicContact CG2-CG2 4.35Å; I549-V551 VanDerWaalsContact O-CG2 3.24Å; I549-V551 WeakPolarHBondContact O-CG2 3.49Å; I549-V551 PolarHBondContact O-N 3.49Å; I549-Y674 HydrophobicContact CD1-CD1 3.98Å; I549-Y674 HydrophobicContact CD1-CD2 3.1Å; I549-Y674 HydrophobicContact CD1-CE1 3.83Å; I549-Y674 HydrophobicContact CD1-CE2 2.97Å; I549-Y674 HydrophobicContact CD1-CG 3.65Å; I549-Y674 HydrophobicContact CG1-CD1 4.04Å; I549-Y674 HydrophobicContact CG1-CD2 3.64Å; I549-Y674 HydrophobicContact CG1-CE1 4.3Å; I549-Y674 HydrophobicContact CG1-CE2 3.99Å; I549-Y674 HydrophobicContact CG1-CG 3.7Å; I549-Y674 HydrophobicContact CG2-CD1 4.21Å; I549-Y674 HydrophobicContact CG2-CE1 4.15Å
550P59.3Low68.2Low55 Ų5567 Ų6736%0.35735%0.351SS..  trans-64.9107.6169.224.6-29.6000109.9
551V62.1Low67.8Low16 Ų1669.7 Ų69.710%0.09736%0.362CS..  trans-99.1-9.1-179.5-170.10000112.5L378 Y382 A540 V543 I549 K553L378-V551 HydrophobicContact CB-CG1 4.46Å; L378-V551 HydrophobicContact CD1-CG1 3.69Å; L378-V551 HydrophobicContact CD2-CG1 3.52Å; L378-V551 HydrophobicContact CG-CG1 4.07Å; Y382-V551 HydrophobicContact CD1-CG2 4.26Å; Y382-V551 HydrophobicContact CD2-CG1 3.87Å; Y382-V551 HydrophobicContact CD2-CG2 4.29Å; Y382-V551 HydrophobicContact CE1-CG2 4.33Å; Y382-V551 HydrophobicContact CE2-CG1 3.43Å; Y382-V551 VanDerWaalsContact CE2-CG1 3.43Å; Y382-V551 HydrophobicContact CE2-CG2 4.35Å; Y382-V551 HydrophobicContact CG-CG2 4.29Å; A540-V551 HydrophobicContact CB-CB 4.21Å; V543-V551 HydrophobicContact CB-CG2 4.12Å; V543-V551 HydrophobicContact CG1-CB 4.43Å; V543-V551 HydrophobicContact CG1-CG2 3.57Å; I549-V551 HydrophobicContact CB-CG2 4.29Å; I549-V551 HydrophobicContact CG2-CG2 4.35Å; I549-V551 VanDerWaalsContact O-CG2 3.24Å; I549-V551 WeakPolarHBondContact O-CG2 3.49Å; I549-V551 PolarHBondContact O-N 3.49Å; V551-K553 PolarHBondContact O-N 3.44Å
552T57.5Low67.6Low32 Ų3265 Ų6520%0.19634%0.34CS..SBendtrans-49.2135.7172.940.80000109.5A540 L554 V555A540-T552 HydrophobicContact CB-CG2 4.12Å; T552-L554 PolarHBondContact O-N 2.72Å; T552-V555 HydrophobicContact CG2-CG2 4.25Å; T552-V555 VanDerWaalsContact OG1-CG2 3.29Å; T552-V555 WeakPolarHBondContact OG1-CG2 3.2Å
553K53.5Low67.4Low143 Ų14370.8 Ų70.862%0.62237%0.37SS*.SBendtrans-41.5120.6165.2-81.1175.1-178.8157.50106.3E536 V551 V555E536-K553 VanDerWaalsContact CD-NZ 3.27Å; E536-K553 IonicContact OE1-NZ 3.85Å; E536-K553 PolarHBondContact OE1-NZ 2.57Å; E536-K553 IonicContact OE2-NZ 3.28Å; E536-K553 PolarHBondContact OE2-NZ 2.82Å; E536-K553 VanDerWaalsContact OE2-NZ 3.09Å; V551-K553 PolarHBondContact O-N 3.44Å; K553-V555 VanDerWaalsContact C-N 3.27Å; K553-V555 WeakPolarHBondContact O-CA 3.29Å; K553-V555 PolarHBondContact O-N 3.46Å
554L47.7Very low67.6Low77 Ų7772.7 Ų72.740%0.40338%0.384SS..  trans-2696.7-172.4-70.2172.4000108.5T552 E556 E558 R559 L562T552-L554 PolarHBondContact O-N 2.72Å; L554-E556 PolarHBondContact O-N 2.78Å; L554-E558 HydrophobicContact CD2-CB 3.91Å; L554-E558 HydrophobicContact CD2-CG 3.6Å; L554-R559 HydrophobicContact CB-CB 4.02Å; L554-R559 HydrophobicContact CD1-CB 4.37Å; L554-R559 HydrophobicContact CD1-CG 4.44Å; L554-L562 HydrophobicContact CD1-CD1 4.32Å; L554-L562 HydrophobicContact CD2-CD1 3.59Å
555V49.8Very low68.2Low81 Ų8172 Ų7249%0.49138%0.376SS..  trans-56.8149.7177.5-173.40000103.8T552 K553 G557 E558 R559T552-V555 HydrophobicContact CG2-CG2 4.25Å; T552-V555 VanDerWaalsContact OG1-CG2 3.29Å; T552-V555 WeakPolarHBondContact OG1-CG2 3.2Å; K553-V555 VanDerWaalsContact C-N 3.27Å; K553-V555 WeakPolarHBondContact O-CA 3.29Å; K553-V555 PolarHBondContact O-N 3.46Å; V555-G557 CarbonylContact O-C 3.59Å; V555-G557 PolarHBondContact O-N 3.46Å; V555-E558 PolarHBondContact O-N 3.4Å; V555-R559 PolarHBondContact O-N 3.34Å; V555-R559 VanDerWaalsContact O-N 3.09Å
556E52.9Low68.8Low162 Ų16267.1 Ų67.176%0.75736%0.361SS*.Hα-helixtrans-43.4-37.1-179.6-75.4-177.4147.200111.5L554 R559 E560L554-E556 PolarHBondContact O-N 2.78Å; E556-R559 PolarHBondContact O-N 3.18Å; E556-E560 WeakPolarHBondContact O-CB 3.11Å; E556-E560 VanDerWaalsContact O-CG 3.27Å; E556-E560 WeakPolarHBondContact O-CG 3.43Å; E556-E560 PolarHBondContact O-N 2.93Å
557G63.3Low69.3Low43 Ų4366 Ų6644%0.44336%0.36SS..Hα-helixtrans-59-47.1169.900000117.4V555 E560 K561V555-G557 CarbonylContact O-C 3.59Å; V555-G557 PolarHBondContact O-N 3.46Å; G557-E560 PolarHBondContact O-N 3.4Å; G557-K561 VanDerWaalsContact O-CB 3.31Å; G557-K561 WeakPolarHBondContact O-CB 3.41Å; G557-K561 PolarHBondContact O-N 3.22Å
558E66Low70.3Confident30 Ų3065.9 Ų65.914%0.1436%0.36CS..Hα-helixtrans-70.4-36.7178.8-165.1-173.1168.300111.1L554 V555 K561 L562 R591L554-E558 HydrophobicContact CD2-CB 3.91Å; L554-E558 HydrophobicContact CD2-CG 3.6Å; V555-E558 PolarHBondContact O-N 3.4Å; E558-K561 WeakPolarHBondContact O-CB 3.4Å; E558-K561 PolarHBondContact O-N 3.02Å; E558-L562 WeakPolarHBondContact O-CG 3.33Å; E558-L562 PolarHBondContact O-N 2.96Å; E558-R591 IonicContact OE1-NH1 2.7Å; E558-R591 PolarHBondContact OE1-NH1 3.33Å
559R71.9Confident71.7Confident159 Ų15963.2 Ų63.260%0.633%0.332SS*.Hα-helixtrans-62.4-45.9174.6-170.8177.8177.3-177.2-1.8110.9L554 V555 E556 K561 L562 L563L554-R559 HydrophobicContact CB-CB 4.02Å; L554-R559 HydrophobicContact CD1-CB 4.37Å; L554-R559 HydrophobicContact CD1-CG 4.44Å; V555-R559 PolarHBondContact O-N 3.34Å; V555-R559 VanDerWaalsContact O-N 3.09Å; E556-R559 PolarHBondContact O-N 3.18Å; R559-K561 VanDerWaalsContact C-N 3.34Å; R559-L562 PolarHBondContact O-N 3.36Å; R559-L563 HydrophobicContact CG-CD1 4.12Å; R559-L563 WeakPolarHBondContact O-CB 3.35Å; R559-L563 VanDerWaalsContact O-CG 3.26Å; R559-L563 WeakPolarHBondContact O-CG 3.15Å; R559-L563 PolarHBondContact O-N 3.37Å
560E78.5Confident73.3Confident130 Ų13065.3 Ų65.361%0.60734%0.341SS*.Hα-helixtrans-62.4-40.8174.8-77.3179.3178.600111.8E556 G557 L562 L563 S564E556-E560 WeakPolarHBondContact O-CB 3.11Å; E556-E560 VanDerWaalsContact O-CG 3.27Å; E556-E560 WeakPolarHBondContact O-CG 3.43Å; E556-E560 PolarHBondContact O-N 2.93Å; G557-E560 PolarHBondContact O-N 3.4Å; E560-L562 PolarHBondContact O-N 3.42Å; E560-L563 PolarHBondContact O-N 3.26Å; E560-S564 VanDerWaalsContact O-CB 3.3Å; E560-S564 WeakPolarHBondContact O-CB 3.39Å; E560-S564 PolarHBondContact O-N 2.97Å; E560-S564 PolarHBondContact O-OG 2.95Å
561K77.5Confident74.6Confident61 Ų6169.9 Ų69.927%0.26536%0.356SS..Hα-helixtrans-60.3-44.8175.9-166.7178.8-175.9-165.90111.8G557 E558 R559 S564 L565 N624 D627G557-K561 VanDerWaalsContact O-CB 3.31Å; G557-K561 WeakPolarHBondContact O-CB 3.41Å; G557-K561 PolarHBondContact O-N 3.22Å; E558-K561 WeakPolarHBondContact O-CB 3.4Å; E558-K561 PolarHBondContact O-N 3.02Å; R559-K561 VanDerWaalsContact C-N 3.34Å; K561-S564 CarbonylContact O-C 3.53Å; K561-S564 PolarHBondContact O-N 3.43Å; K561-S564 PolarHBondContact O-OG 2.83Å; K561-L565 WeakPolarHBondContact O-CA 3.41Å; K561-L565 PolarHBondContact O-N 3.06Å; K561-N624 WeakPolarHBondContact CE-O 3.42Å; K561-N624 PolarHBondContact NZ-O 3.01Å; K561-D627 IonicContact NZ-OD1 3.41Å; K561-D627 PolarHBondContact NZ-OD1 3.21Å
562L82.7Confident75.7Confident12 Ų1271.2 Ų71.26%0.06336%0.359CS..Hα-helixtrans-67.4-42.6176-72.3176000112.6L554 E558 R559 E560 S564 L565 V587 L588 R591 L625L554-L562 HydrophobicContact CD1-CD1 4.32Å; L554-L562 HydrophobicContact CD2-CD1 3.59Å; E558-L562 WeakPolarHBondContact O-CG 3.33Å; E558-L562 PolarHBondContact O-N 2.96Å; R559-L562 PolarHBondContact O-N 3.36Å; E560-L562 PolarHBondContact O-N 3.42Å; L562-S564 PolarHBondContact O-N 2.89Å; L562-L565 WeakPolarHBondContact O-CB 3.26Å; L562-L565 PolarHBondContact O-N 3.06Å; L562-L565 VanDerWaalsContact O-N 3.12Å; L562-V587 HydrophobicContact CD2-CG1 4.43Å; L562-L588 HydrophobicContact CB-CD2 4.12Å; L562-R591 HydrophobicContact CD1-CB 3.92Å; L562-R591 HydrophobicContact CD1-CG 3.94Å; L562-R591 HydrophobicContact CD2-CG 4.07Å; L562-L625 HydrophobicContact CD2-CD2 4.16Å
563L85.9Confident77.3Confident123 Ų12369.9 Ų69.964%0.64435%0.351SS*.Hα-helixtrans-65.1-29.6176.7-72.5172.6000112.3R559 E560R559-L563 HydrophobicContact CG-CD1 4.12Å; R559-L563 WeakPolarHBondContact O-CB 3.35Å; R559-L563 VanDerWaalsContact O-CG 3.26Å; R559-L563 WeakPolarHBondContact O-CG 3.15Å; R559-L563 PolarHBondContact O-N 3.37Å; E560-L563 PolarHBondContact O-N 3.26Å
564S87.1Confident79.1Confident41 Ų4165.1 Ų65.129%0.28733%0.332SS..THydrogen-bonded Turntrans-95.99.217563.60000113.5E560 K561 L562 N566 S567 T568E560-S564 VanDerWaalsContact O-CB 3.3Å; E560-S564 WeakPolarHBondContact O-CB 3.39Å; E560-S564 PolarHBondContact O-N 2.97Å; E560-S564 PolarHBondContact O-OG 2.95Å; K561-S564 CarbonylContact O-C 3.53Å; K561-S564 PolarHBondContact O-N 3.43Å; K561-S564 PolarHBondContact O-OG 2.83Å; L562-S564 PolarHBondContact O-N 2.89Å; S564-N566 VanDerWaalsContact C-N 3.33Å; S564-N566 PolarHBondContact O-N 2.98Å; S564-S567 PolarHBondContact O-N 2.98Å; S564-S567 PolarHBondContact O-OG 3.46Å; S564-T568 VanDerWaalsContact O-CB 3.32Å; S564-T568 WeakPolarHBondContact O-CB 3.12Å; S564-T568 PolarHBondContact O-N 2.78Å; S564-T568 PolarHBondContact O-OG1 3.26Å
565L89.5Confident81Confident0 Ų062.3 Ų62.30%032%0.322CS..Hα-helixtrans-56.9-50.4-178.1175.662.2000110.4K561 L562 S567 T568 L569 V587 L621 N624 L625K561-L565 WeakPolarHBondContact O-CA 3.41Å; K561-L565 PolarHBondContact O-N 3.06Å; L562-L565 WeakPolarHBondContact O-CB 3.26Å; L562-L565 PolarHBondContact O-N 3.06Å; L562-L565 VanDerWaalsContact O-N 3.12Å; L565-S567 PolarHBondContact O-N 2.89Å; L565-T568 PolarHBondContact O-N 3.16Å; L565-L569 HydrophobicContact CD1-CD1 4Å; L565-L569 HydrophobicContact CD1-CD2 4.45Å; L565-L569 HydrophobicContact CD1-CG 4.03Å; L565-L569 HydrophobicContact CG-CD1 4.04Å; L565-L569 HydrophobicContact CG-CG 4.41Å; L565-L569 VanDerWaalsContact O-CG 3.29Å; L565-L569 WeakPolarHBondContact O-CG 3.45Å; L565-L569 PolarHBondContact O-N 3.37Å; L565-V587 HydrophobicContact CD2-CB 3.95Å; L565-V587 HydrophobicContact CD2-CG1 3.83Å; L565-L621 HydrophobicContact CD1-CD1 4.22Å; L565-L621 HydrophobicContact CD2-CD1 4.48Å; L565-N624 HydrophobicContact CD1-CB 3.82Å; L565-N624 VanDerWaalsContact CD1-CG 3.48Å; L565-N624 VanDerWaalsContact CD1-OD1 3.28Å; L565-N624 WeakPolarHBondContact CD1-OD1 3.38Å; L565-L625 HydrophobicContact CD1-CD2 4.24Å; L565-L625 HydrophobicContact CD2-CD2 4.23Å
566N91.6Very high83Confident47 Ų4758.8 Ų58.825%0.25130%0.3SS..Hα-helixtrans-54-55.9178.7-179.2-71.4000111.6S564 T568 L569 H570 D581 S584S564-N566 VanDerWaalsContact C-N 3.33Å; S564-N566 PolarHBondContact O-N 2.98Å; N566-T568 VanDerWaalsContact C-N 3.28Å; N566-T568 PolarHBondContact O-N 2.72Å; N566-L569 PolarHBondContact O-N 2.95Å; N566-H570 PolarHBondContact O-CD2 3.34Å; N566-H570 PolarHBondContact O-N 3.44Å; N566-H570 PolarHBondContact OD1-CD2 3.23Å; N566-H570 PolarHBondContact OD1-NE2 3.24Å; N566-D581 PolarHBondContact ND2-OD1 3.06Å; N566-S584 WeakPolarHBondContact CA-OG 3.34Å
567S91.2Very high84.7Confident62 Ų6255.5 Ų55.543%0.43429%0.287SS..Hα-helixtrans-65-31.8-179.262.80000112.8S564 L565 H570 K571S564-S567 PolarHBondContact O-N 2.98Å; S564-S567 PolarHBondContact O-OG 3.46Å; L565-S567 PolarHBondContact O-N 2.89Å; S567-H570 PolarHBondContact O-N 2.95Å; S567-K571 WeakPolarHBondContact O-CG 3.48Å; S567-K571 PolarHBondContact O-N 3.35Å
568T88.9Confident85.8Confident42 Ų4258.8 Ų58.826%0.25829%0.291SS..Hα-helixtrans-71.5-38.5176.8-53.20000111.8S564 L565 N566 K571 N624S564-T568 VanDerWaalsContact O-CB 3.32Å; S564-T568 WeakPolarHBondContact O-CB 3.12Å; S564-T568 PolarHBondContact O-N 2.78Å; S564-T568 PolarHBondContact O-OG1 3.26Å; L565-T568 PolarHBondContact O-N 3.16Å; N566-T568 VanDerWaalsContact C-N 3.28Å; N566-T568 PolarHBondContact O-N 2.72Å; T568-K571 WeakPolarHBondContact O-CB 3.25Å; T568-K571 PolarHBondContact O-N 2.66Å; T568-N624 WeakPolarHBondContact CG2-ND2 2.86Å
569L92.3Very high87Confident1 Ų157.4 Ų57.41%0.00529%0.285CS..Hα-helixtrans-65.7-38.8173.9-69178000111.5L565 N566 K571 R572 V573 V580 L617 A620 L621L565-L569 HydrophobicContact CD1-CD1 4Å; L565-L569 HydrophobicContact CD1-CD2 4.45Å; L565-L569 HydrophobicContact CD1-CG 4.03Å; L565-L569 HydrophobicContact CG-CD1 4.04Å; L565-L569 HydrophobicContact CG-CG 4.41Å; L565-L569 VanDerWaalsContact O-CG 3.29Å; L565-L569 WeakPolarHBondContact O-CG 3.45Å; L565-L569 PolarHBondContact O-N 3.37Å; N566-L569 PolarHBondContact O-N 2.95Å; L569-K571 VanDerWaalsContact C-N 3.29Å; L569-K571 PolarHBondContact O-N 3.22Å; L569-R572 CarbonylContact O-C 3.52Å; L569-R572 WeakPolarHBondContact O-CA 3.5Å; L569-R572 PolarHBondContact O-N 3.36Å; L569-V573 PolarHBondContact O-N 2.95Å; L569-V580 HydrophobicContact CB-CG1 3.62Å; L569-V580 HydrophobicContact CB-CG2 4.35Å; L569-V580 HydrophobicContact CD1-CG1 4.22Å; L569-L617 HydrophobicContact CD1-CD1 4.2Å; L569-L617 HydrophobicContact CD2-CD1 4.39Å; L569-A620 HydrophobicContact CD2-CB 3.6Å; L569-L621 HydrophobicContact CD1-CD1 4.02Å; L569-L621 HydrophobicContact CD2-CB 4.44Å; L569-L621 HydrophobicContact CD2-CD1 4.43Å
570H90.1Very high88Confident54 Ų5449.9 Ų49.925%0.2526%0.257CS..Hα-helixtrans-63.5-29.9174.8-78.4-73.3000114N566 S567 R572 D577N566-H570 PolarHBondContact O-CD2 3.34Å; N566-H570 PolarHBondContact O-N 3.44Å; N566-H570 PolarHBondContact OD1-CD2 3.23Å; N566-H570 PolarHBondContact OD1-NE2 3.24Å; S567-H570 PolarHBondContact O-N 2.95Å; H570-R572 PolarHBondContact O-N 3.09Å; H570-D577 IonicContact CE1-OD1 3.49Å; H570-D577 PolarHBondContact CE1-OD1 3.37Å; H570-D577 IonicContact ND1-OD1 3.69Å; H570-D577 PolarHBondContact ND1-OD1 3.41Å
571K87.4Confident88.6Confident152 Ų15247 Ų4766%0.66125%0.246SC*.Hα-helixtrans-61.2-28.8170.7-66.6173-175.2175.10111.4S567 T568 L569 K782S567-K571 WeakPolarHBondContact O-CG 3.48Å; S567-K571 PolarHBondContact O-N 3.35Å; T568-K571 WeakPolarHBondContact O-CB 3.25Å; T568-K571 PolarHBondContact O-N 2.66Å; L569-K571 VanDerWaalsContact C-N 3.29Å; L569-K571 PolarHBondContact O-N 3.22Å; K571-K782 WeakPolarHBondContact O-CE 3.43Å
572R85.4Confident89.2Confident43 Ų4344.9 Ų44.916%0.16224%0.239CC..Hα-helixtrans-95.5-40.5-178.4-78.2-160.559.4166.93.9114.4L569 H570 E616 A620 E623 E629 K782L569-R572 CarbonylContact O-C 3.52Å; L569-R572 WeakPolarHBondContact O-CA 3.5Å; L569-R572 PolarHBondContact O-N 3.36Å; H570-R572 PolarHBondContact O-N 3.09Å; R572-E616 IonicContact CZ-OE2 2.77Å; R572-E616 IonicContact NH2-OE2 2.94Å; R572-E616 PolarHBondContact NH2-OE2 2.9Å; R572-A620 HydrophobicContact CB-CB 3.79Å; R572-A620 HydrophobicContact CG-CB 4.24Å; R572-E623 IonicContact CZ-OE2 2.65Å; R572-E623 IonicContact NH1-OE2 2.98Å; R572-E623 PolarHBondContact NH1-OE2 3.03Å; R572-E629 IonicContact CZ-OE1 3.75Å; R572-E629 IonicContact NH1-OE1 2.76Å; R572-E629 PolarHBondContact NH1-OE1 3.34Å; R572-E629 IonicContact NH2-OE1 2.65Å; R572-E629 PolarHBondContact NH2-OE1 3.27Å; R572-K782 PolarHBondContact O-NZ 2.95Å
573V91.3Very high89.6Confident4 Ų444.3 Ų44.32%0.02424%0.236CC..SBendtrans-112.5118.5-172.8-174.20000108.8L569 Q576 V580 L617 A620L569-V573 PolarHBondContact O-N 2.95Å; V573-Q576 HydrophobicContact CG1-CB 3.84Å; V573-Q576 HydrophobicContact CG1-CG 4.03Å; V573-V580 HydrophobicContact CB-CG2 4.22Å; V573-V580 HydrophobicContact CG1-CG2 4.42Å; V573-L617 HydrophobicContact CG2-CB 3.97Å; V573-L617 HydrophobicContact CG2-CD1 3.97Å; V573-A620 HydrophobicContact CG2-CB 4.45Å
574I89.5Confident89.8Confident43 Ų4338.5 Ų38.522%0.22121%0.206CC..  trans-106.2133.7-173.2-58.2175.5000109.1D775 G778 I779I574-D775 HydrophobicContact CG2-CB 4Å; I574-G778 WeakPolarHBondContact CD1-O 3.28Å; I574-I779 HydrophobicContact CB-CG1 4.19Å; I574-I779 HydrophobicContact CD1-CG1 3.93Å; I574-I779 HydrophobicContact CG1-CG1 4.48Å
575G87.7Confident90Very high19 Ų1940.5 Ų40.520%0.19621%0.213CC..SBendtrans77.216.9173.800000115.6T769 D775G575-T769 PolarHBondContact O-OG1 3.12Å; G575-D775 VanDerWaalsContact CA-OD1 3.26Å; G575-D775 WeakPolarHBondContact CA-OD1 3.34Å
576Q91.7Very high89.8Confident6 Ų640.6 Ų40.63%0.02822%0.215CC..  trans-128.149.7-176.3-56.1-61.6-39.700111.9V573 E578 A579 V580 F768 T769V573-Q576 HydrophobicContact CG1-CB 3.84Å; V573-Q576 HydrophobicContact CG1-CG 4.03Å; Q576-E578 PolarHBondContact O-N 3.05Å; Q576-A579 HydrophobicContact CB-CB 4.16Å; Q576-A579 WeakPolarHBondContact O-CB 3.47Å; Q576-A579 PolarHBondContact O-N 3.5Å; Q576-A579 VanDerWaalsContact O-N 3.14Å; Q576-V580 PolarHBondContact O-N 2.75Å; Q576-F768 HydrophobicContact CB-CD1 4.41Å; Q576-F768 HydrophobicContact CB-CE1 4.31Å; Q576-F768 HydrophobicContact CG-CD1 3.85Å; Q576-F768 HydrophobicContact CG-CE1 4.08Å; Q576-F768 VanDerWaalsContact OE1-CA 3.28Å; Q576-T769 PolarHBondContact NE2-O 3.29Å; Q576-T769 PolarHBondContact NE2-OG1 3.05Å
577D89.3Confident89.5Confident93 Ų9338.4 Ų38.450%0.49720%0.203SC..Hα-helixtrans-62.7-45.8-168.9-55.6-23000113.1H570 A579 V580 D581H570-D577 IonicContact CE1-OD1 3.49Å; H570-D577 PolarHBondContact CE1-OD1 3.37Å; H570-D577 IonicContact ND1-OD1 3.69Å; H570-D577 PolarHBondContact ND1-OD1 3.41Å; D577-A579 PolarHBondContact O-N 3.3Å; D577-V580 PolarHBondContact O-N 3.04Å; D577-V580 VanDerWaalsContact O-N 3.11Å; D577-D581 WeakPolarHBondContact O-CB 3.49Å; D577-D581 PolarHBondContact O-N 2.53Å
578E87.5Confident89.2Confident113 Ų11338.3 Ų38.353%0.52820%0.197SC..Hα-helixtrans-57.7-35.5177-172.4176.3-177.100111.9Q576 A582Q576-E578 PolarHBondContact O-N 3.05Å; E578-A582 VanDerWaalsContact O-CB 3.27Å; E578-A582 WeakPolarHBondContact O-CB 3.4Å; E578-A582 PolarHBondContact O-N 2.92Å; E578-A582 VanDerWaalsContact O-N 3.1Å
579A90.2Very high89Confident1 Ų142.1 Ų42.11%0.00821%0.207CC..Hα-helixtrans-71.6-43.1177.700000112.4Q576 D577 V583 L617 I766 F768Q576-A579 HydrophobicContact CB-CB 4.16Å; Q576-A579 WeakPolarHBondContact O-CB 3.47Å; Q576-A579 PolarHBondContact O-N 3.5Å; Q576-A579 VanDerWaalsContact O-N 3.14Å; D577-A579 PolarHBondContact O-N 3.3Å; A579-V583 WeakPolarHBondContact O-CB 3.31Å; A579-V583 VanDerWaalsContact O-CG2 3.24Å; A579-V583 WeakPolarHBondContact O-CG2 3.3Å; A579-V583 PolarHBondContact O-N 3.3Å; A579-V583 VanDerWaalsContact O-N 3.17Å; A579-L617 HydrophobicContact CB-CD2 3.88Å; A579-I766 HydrophobicContact CB-CG2 3.45Å; A579-I766 VanDerWaalsContact CB-CG2 3.45Å; A579-F768 HydrophobicContact CB-CE1 4.15Å; A579-F768 HydrophobicContact CB-CE2 3.92Å; A579-F768 HydrophobicContact CB-CZ 3.66Å
580V93Very high88.3Confident0 Ų043 Ų430%021%0.213CC..Hα-helixtrans-65-44.9178.1173.40000110.4L569 V573 Q576 D577 S584 L617L569-V580 HydrophobicContact CB-CG1 3.62Å; L569-V580 HydrophobicContact CB-CG2 4.35Å; L569-V580 HydrophobicContact CD1-CG1 4.22Å; V573-V580 HydrophobicContact CB-CG2 4.22Å; V573-V580 HydrophobicContact CG1-CG2 4.42Å; Q576-V580 PolarHBondContact O-N 2.75Å; D577-V580 PolarHBondContact O-N 3.04Å; D577-V580 VanDerWaalsContact O-N 3.11Å; V580-S584 VanDerWaalsContact O-CB 3.26Å; V580-S584 WeakPolarHBondContact O-CB 3.44Å; V580-S584 PolarHBondContact O-N 2.85Å; V580-S584 PolarHBondContact O-OG 2.87Å; V580-L617 HydrophobicContact CG2-CD1 4.01Å
581D91.5Very high87.6Confident70 Ų7043.9 Ų43.937%0.37421%0.214SC..Hα-helixtrans-59.5-54.1178.2-73.2-14.5000111.3N566 D577 V583 S584 D585N566-D581 PolarHBondContact ND2-OD1 3.06Å; D577-D581 WeakPolarHBondContact O-CB 3.49Å; D577-D581 PolarHBondContact O-N 2.53Å; D581-V583 VanDerWaalsContact C-N 3.34Å; D581-V583 PolarHBondContact O-N 2.64Å; D581-S584 PolarHBondContact O-N 3.32Å; D581-D585 WeakPolarHBondContact O-CB 3.23Å; D581-D585 PolarHBondContact O-N 2.78Å
582A89.2Confident87.1Confident16 Ų1639.8 Ų39.813%0.13221%0.209CC..Hα-helixtrans-60.4-42.5-176.900000112.7E578 A586 I766E578-A582 VanDerWaalsContact O-CB 3.27Å; E578-A582 WeakPolarHBondContact O-CB 3.4Å; E578-A582 PolarHBondContact O-N 2.92Å; E578-A582 VanDerWaalsContact O-N 3.1Å; A582-A586 WeakPolarHBondContact O-CB 3.32Å; A582-A586 PolarHBondContact O-N 2.95Å; A582-A586 VanDerWaalsContact O-N 3.17Å; A582-I766 HydrophobicContact CB-CD1 3.74Å; A582-I766 HydrophobicContact CB-CG1 4.09Å
583V91.4Very high86.6Confident0 Ų040.7 Ų40.70%023%0.232CC..Hα-helixtrans-67.4-46177.2170.70000111.2A579 D581 D585 A586 V587 F604 F606 L617 L621 I766A579-V583 WeakPolarHBondContact O-CB 3.31Å; A579-V583 VanDerWaalsContact O-CG2 3.24Å; A579-V583 WeakPolarHBondContact O-CG2 3.3Å; A579-V583 PolarHBondContact O-N 3.3Å; A579-V583 VanDerWaalsContact O-N 3.17Å; D581-V583 VanDerWaalsContact C-N 3.34Å; D581-V583 PolarHBondContact O-N 2.64Å; V583-D585 PolarHBondContact O-N 3.17Å; V583-A586 PolarHBondContact O-N 3.39Å; V583-V587 VanDerWaalsContact O-CG2 3.31Å; V583-V587 WeakPolarHBondContact O-CG2 3.43Å; V583-V587 PolarHBondContact O-N 3.35Å; V583-V587 VanDerWaalsContact O-N 3.09Å; V583-F604 HydrophobicContact CB-CZ 4.36Å; V583-F604 HydrophobicContact CG1-CZ 4.49Å; V583-F604 HydrophobicContact CG2-CD1 4.17Å; V583-F604 HydrophobicContact CG2-CD2 4.39Å; V583-F604 HydrophobicContact CG2-CE1 4.08Å; V583-F604 HydrophobicContact CG2-CE2 4.29Å; V583-F604 HydrophobicContact CG2-CG 4.32Å; V583-F604 HydrophobicContact CG2-CZ 4.13Å; V583-F606 HydrophobicContact CG2-CE1 4.06Å; V583-F606 HydrophobicContact CG2-CZ 3.85Å; V583-L617 HydrophobicContact CG2-CD2 4.06Å; V583-L621 HydrophobicContact CG1-CD1 3.73Å; V583-L621 HydrophobicContact CG1-CD2 3.46Å; V583-L621 VanDerWaalsContact CG1-CD2 3.46Å; V583-L621 HydrophobicContact CG1-CG 4.19Å; V583-I766 HydrophobicContact CG2-CD1 4.16Å
584S90.9Very high86Confident1 Ų147.3 Ų47.31%0.00727%0.266CS..Hα-helixtrans-60.7-45.8179.5-58.50000111.5N566 V580 D581 A586 V587 L588N566-S584 WeakPolarHBondContact CA-OG 3.34Å; V580-S584 VanDerWaalsContact O-CB 3.26Å; V580-S584 WeakPolarHBondContact O-CB 3.44Å; V580-S584 PolarHBondContact O-N 2.85Å; V580-S584 PolarHBondContact O-OG 2.87Å; D581-S584 PolarHBondContact O-N 3.32Å; S584-A586 PolarHBondContact O-N 2.87Å; S584-V587 PolarHBondContact O-N 2.95Å; S584-L588 WeakPolarHBondContact O-CB 3.24Å; S584-L588 WeakPolarHBondContact O-CG 3.35Å; S584-L588 PolarHBondContact O-N 3.24Å
585D89.8Confident85.5Confident83 Ų8347.2 Ų47.244%0.44427%0.265SS..Hα-helixtrans-64.5-40.3-179.3-81-8.4000112.5D581 V583 L588 R589D581-D585 WeakPolarHBondContact O-CB 3.23Å; D581-D585 PolarHBondContact O-N 2.78Å; V583-D585 PolarHBondContact O-N 3.17Å; D585-L588 PolarHBondContact O-N 2.84Å; D585-R589 WeakPolarHBondContact O-CG 3.27Å; D585-R589 PolarHBondContact O-N 3.38Å
586A85.7Confident85.1Confident3 Ų350.2 Ų50.23%0.02528%0.276CS..Hα-helixtrans-63.7-44.7176.200000111.8A582 V583 S584 L588 R589 S590 F604A582-A586 WeakPolarHBondContact O-CB 3.32Å; A582-A586 PolarHBondContact O-N 2.95Å; A582-A586 VanDerWaalsContact O-N 3.17Å; V583-A586 PolarHBondContact O-N 3.39Å; S584-A586 PolarHBondContact O-N 2.87Å; A586-L588 VanDerWaalsContact C-N 3.35Å; A586-L588 PolarHBondContact O-N 3.13Å; A586-R589 PolarHBondContact O-N 2.87Å; A586-S590 PolarHBondContact O-N 3.44Å; A586-F604 HydrophobicContact CB-CE1 3.76Å; A586-F604 HydrophobicContact CB-CZ 3.44Å; A586-F604 VanDerWaalsContact CB-CZ 3.44Å
587V85.3Confident84.4Confident1 Ų154.6 Ų54.61%0.00631%0.305CS..Hα-helixtrans-63.2-42.1176173.50000111.2L562 L565 V583 S584 S590 R591 L621 L625L562-V587 HydrophobicContact CD2-CG1 4.43Å; L565-V587 HydrophobicContact CD2-CB 3.95Å; L565-V587 HydrophobicContact CD2-CG1 3.83Å; V583-V587 VanDerWaalsContact O-CG2 3.31Å; V583-V587 WeakPolarHBondContact O-CG2 3.43Å; V583-V587 PolarHBondContact O-N 3.35Å; V583-V587 VanDerWaalsContact O-N 3.09Å; S584-V587 PolarHBondContact O-N 2.95Å; V587-S590 WeakPolarHBondContact O-CB 3.02Å; V587-S590 PolarHBondContact O-N 3.4Å; V587-R591 HydrophobicContact CG1-CG 4.28Å; V587-R591 WeakPolarHBondContact O-CB 3.46Å; V587-R591 WeakPolarHBondContact O-CG 3.31Å; V587-R591 PolarHBondContact O-N 3.45Å; V587-L621 HydrophobicContact CG2-CD1 4.29Å; V587-L625 HydrophobicContact CG1-CD1 3.79Å; V587-L625 HydrophobicContact CG1-CD2 3.63Å; V587-L625 HydrophobicContact CG1-CG 4.37Å; V587-L625 HydrophobicContact CG2-CD1 3.86Å
588L86.2Confident84.1Confident60 Ų6054 Ų5431%0.31430%0.302SS..Hα-helixtrans-61.1-44.7175.7-78.2169.5000112.2L562 S584 D585 A586 S590 R591 A592L562-L588 HydrophobicContact CB-CD2 4.12Å; S584-L588 WeakPolarHBondContact O-CB 3.24Å; S584-L588 WeakPolarHBondContact O-CG 3.35Å; S584-L588 PolarHBondContact O-N 3.24Å; D585-L588 PolarHBondContact O-N 2.84Å; A586-L588 VanDerWaalsContact C-N 3.35Å; A586-L588 PolarHBondContact O-N 3.13Å; L588-S590 VanDerWaalsContact C-N 3.3Å; L588-S590 PolarHBondContact O-N 3.48Å; L588-R591 PolarHBondContact O-N 3.46Å; L588-A592 VanDerWaalsContact O-CB 3.26Å; L588-A592 WeakPolarHBondContact O-CB 3.27Å; L588-A592 PolarHBondContact O-N 2.88Å
589R84.1Confident84.1Confident121 Ų12151 Ų5146%0.45729%0.286SS..Hα-helixtrans-59.5-42.5175.3-74.8-171.8-58.7-92.77.2111.9D585 A586 A592 G593 L594D585-R589 WeakPolarHBondContact O-CG 3.27Å; D585-R589 PolarHBondContact O-N 3.38Å; A586-R589 PolarHBondContact O-N 2.87Å; R589-A592 PolarHBondContact O-N 3.04Å; R589-G593 PolarHBondContact O-N 2.76Å; R589-L594 PolarHBondContact O-N 2.98Å
590S77.6Confident84.1Confident20 Ų2051 Ų5114%0.1429%0.285CS..Hα-helixtrans-64.9-48.4179.1-158.60000111.9A586 V587 L588 A592 G593 Q595 L601A586-S590 PolarHBondContact O-N 3.44Å; V587-S590 WeakPolarHBondContact O-CB 3.02Å; V587-S590 PolarHBondContact O-N 3.4Å; L588-S590 VanDerWaalsContact C-N 3.3Å; L588-S590 PolarHBondContact O-N 3.48Å; S590-A592 VanDerWaalsContact C-N 3.29Å; S590-A592 PolarHBondContact O-N 3.18Å; S590-G593 PolarHBondContact O-N 3.34Å; S590-Q595 PolarHBondContact OG-OE1 2.96Å; S590-L601 WeakPolarHBondContact OG-CA 3.3Å; S590-L601 WeakPolarHBondContact OG-CD2 3.5Å
591R75.8Confident83.8Confident72 Ų7251.7 Ų51.727%0.27229%0.289SS..Hα-helixtrans-66.2-28.8177.8-70-70.2-174.7161.51.5113.1E558 L562 V587 L588 G593E558-R591 IonicContact OE1-NH1 2.7Å; E558-R591 PolarHBondContact OE1-NH1 3.33Å; L562-R591 HydrophobicContact CD1-CB 3.92Å; L562-R591 HydrophobicContact CD1-CG 3.94Å; L562-R591 HydrophobicContact CD2-CG 4.07Å; V587-R591 HydrophobicContact CG1-CG 4.28Å; V587-R591 WeakPolarHBondContact O-CB 3.46Å; V587-R591 WeakPolarHBondContact O-CG 3.31Å; V587-R591 PolarHBondContact O-N 3.45Å; L588-R591 PolarHBondContact O-N 3.46Å; R591-G593 PolarHBondContact O-N 3.28Å
592A77.1Confident83.7Confident66 Ų6648.4 Ų48.455%0.54527%0.272SS..THydrogen-bonded Turntrans-75.6-5.5171.500000113.8L588 R589 S590 L594L588-A592 VanDerWaalsContact O-CB 3.26Å; L588-A592 WeakPolarHBondContact O-CB 3.27Å; L588-A592 PolarHBondContact O-N 2.88Å; R589-A592 PolarHBondContact O-N 3.04Å; S590-A592 VanDerWaalsContact C-N 3.29Å; S590-A592 PolarHBondContact O-N 3.18Å; A592-L594 VanDerWaalsContact C-N 3.32Å; A592-L594 HydrophobicContact CB-CD1 4.1Å; A592-L594 HydrophobicContact CB-CG 4.05Å; A592-L594 PolarHBondContact O-N 3.39Å
593G73.7Confident83.9Confident63 Ų6347.6 Ų47.665%0.64927%0.265SS*.THydrogen-bonded Turntrans72.222.2-178.100000114.1R589 S590 R591R589-G593 PolarHBondContact O-N 2.76Å; S590-G593 PolarHBondContact O-N 3.34Å; R591-G593 PolarHBondContact O-N 3.28Å
594L79.3Confident84.2Confident142 Ų14247.7 Ų47.774%0.74327%0.266SS*.  trans-94.9-3.5-178.5-61.7176.8000113.3R589 A592R589-L594 PolarHBondContact O-N 2.98Å; A592-L594 VanDerWaalsContact C-N 3.32Å; A592-L594 HydrophobicContact CB-CD1 4.1Å; A592-L594 HydrophobicContact CB-CG 4.05Å; A592-L594 PolarHBondContact O-N 3.39Å
595Q78.2Confident84.5Confident42 Ų4247.6 Ų47.620%0.19627%0.265CS..SBendtrans-93.5161176.7-166.8178.220.100111.1S590 P597 P600 L601S590-Q595 PolarHBondContact OG-OE1 2.96Å; Q595-P597 WeakPolarHBondContact O-CD 3.47Å; Q595-P600 PolarHBondContact NE2-O 3.27Å; Q595-L601 PolarHBondContact NE2-O 2.9Å; Q595-L601 VanDerWaalsContact NE2-O 3.16Å; Q595-L601 PolarHBondContact OE1-O 3.32Å
596D80.3Confident84.8Confident81 Ų8143.7 Ų43.743%0.43324%0.244SC..  trans-59.5119.6170.5-169.5-25.3000110.5N598 R599D596-N598 PolarHBondContact O-N 2.85Å; D596-N598 VanDerWaalsContact O-N 3.14Å; D596-N598 WeakPolarHBondContact OD1-CB 3.47Å; D596-N598 PolarHBondContact OD1-N 2.95Å; D596-N598 PolarHBondContact OD1-ND2 3.48Å; D596-R599 HydrophobicContact CB-CB 4.48Å; D596-R599 HydrophobicContact CB-CG 4.22Å; D596-R599 PolarHBondContact O-N 3.07Å
597P76Confident85.3Confident98 Ų9843.5 Ų43.564%0.63624%0.243SC*.THydrogen-bonded Turntrans-69-7.6-179.630-37.1000113.6Q595 K713Q595-P597 WeakPolarHBondContact O-CD 3.47Å; P597-K713 WeakPolarHBondContact O-CD 3.33Å; P597-K713 WeakPolarHBondContact O-CG 3.12Å
598N83Confident85.6Confident80 Ų8043.5 Ų43.543%0.42824%0.243SC..THydrogen-bonded Turntrans-96.17.6176.5-58.9-59.5000113.4D596 D699 G700 K713D596-N598 PolarHBondContact O-N 2.85Å; D596-N598 VanDerWaalsContact O-N 3.14Å; D596-N598 WeakPolarHBondContact OD1-CB 3.47Å; D596-N598 PolarHBondContact OD1-N 2.95Å; D596-N598 PolarHBondContact OD1-ND2 3.48Å; N598-D699 CarbonylContact O-C 3.46Å; N598-G700 WeakPolarHBondContact O-CA 3.39Å; N598-G700 PolarHBondContact O-N 3.04Å; N598-K713 PolarHBondContact OD1-NZ 2.86Å
599R88.7Confident85.8Confident51 Ų5140.7 Ų40.719%0.19223%0.228CC..SBendtrans-120.4160.5179.2-65.4-17768.1-136.3-4.4110.7D596 L697 R761 D763D596-R599 HydrophobicContact CB-CB 4.48Å; D596-R599 HydrophobicContact CB-CG 4.22Å; D596-R599 PolarHBondContact O-N 3.07Å; R599-L697 WeakPolarHBondContact CG-O 3.29Å; R599-L697 PolarHBondContact NE-O 3.11Å; R599-R761 PolarHBondContact NH2-O 3.15Å; R599-D763 IonicContact CZ-OD1 3.83Å; R599-D763 VanDerWaalsContact CZ-OD1 3.26Å; R599-D763 IonicContact NH1-OD1 3.36Å; R599-D763 PolarHBondContact NH1-OD1 3.31Å; R599-D763 IonicContact NH2-OD1 3.24Å; R599-D763 PolarHBondContact NH2-OD1 2.84Å; R599-D763 IonicContact NH2-OD2 3.23Å
600P90.3Very high86Confident0 Ų036.4 Ų36.40%022%0.216CC..  trans-55157.6170.1-23.834.6000111.8Q595 G602 V696 K713 T715Q595-P600 PolarHBondContact NE2-O 3.27Å; P600-G602 PolarHBondContact O-N 3.09Å; P600-V696 WeakPolarHBondContact CD-O 3.22Å; P600-V696 HydrophobicContact CG-CG1 4.14Å; P600-K713 CarbonylContact C-O 3.59Å; P600-T715 VanDerWaalsContact CB-O 3.3Å; P600-T715 WeakPolarHBondContact CB-O 3.24Å
601L85.9Confident86.6Confident16 Ų1636.4 Ų36.48%0.08422%0.219CC..SBendtrans-56.7-27.9179.7-59.7176.1000112.6S590 Q595 F626 K713 N714 T715 V716S590-L601 WeakPolarHBondContact OG-CA 3.3Å; S590-L601 WeakPolarHBondContact OG-CD2 3.5Å; Q595-L601 PolarHBondContact NE2-O 2.9Å; Q595-L601 VanDerWaalsContact NE2-O 3.16Å; Q595-L601 PolarHBondContact OE1-O 3.32Å; L601-F626 HydrophobicContact CD1-CZ 4.49Å; L601-K713 PolarHBondContact N-O 3.37Å; L601-N714 WeakPolarHBondContact CD1-O 3.25Å; L601-T715 PolarHBondContact N-O 3.16Å; L601-V716 HydrophobicContact CB-CG2 4.03Å; L601-V716 HydrophobicContact CD1-CG2 4.22Å
602G89.9Confident87.3Confident0 Ų033.2 Ų33.20%021%0.207CC..EExtended strand (participates in β ladder)trans-174.2148.7172.300000110.6P600 L717 D763P600-G602 PolarHBondContact O-N 3.09Å; G602-L717 PolarHBondContact O-N 3.08Å; G602-D763 WeakPolarHBondContact CA-OD2 3.39Å
603S93.8Very high88Confident0 Ų030.9 Ų30.90%019%0.189CC..EExtended strand (participates in β ladder)trans-128.7120.5175.855.30000110.4L717 R761 I762 D763 D764S603-L717 CarbonylContact C-O 3.11Å; S603-L717 VanDerWaalsContact CA-O 3.31Å; S603-L717 WeakPolarHBondContact CA-O 3.31Å; S603-R761 PolarHBondContact OG-O 2.69Å; S603-I762 VanDerWaalsContact O-CG2 3.27Å; S603-I762 WeakPolarHBondContact O-CG2 3.28Å; S603-D763 PolarHBondContact N-OD2 3.28Å; S603-D763 WeakPolarHBondContact O-CB 3.25Å; S603-D763 PolarHBondContact O-N 3.4Å; S603-D763 VanDerWaalsContact OG-CG 3.22Å; S603-D763 PolarHBondContact OG-N 2.89Å; S603-D763 PolarHBondContact OG-OD2 3.1Å; S603-D764 PolarHBondContact O-N 2.98Å
604F96.4Very high89Confident1 Ų128.5 Ų28.50%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-129140.3-172.7-50.5-83.1000111.9V583 A586 F606 V716 L717 I718 M719 D764 I766V583-F604 HydrophobicContact CB-CZ 4.36Å; V583-F604 HydrophobicContact CG1-CZ 4.49Å; V583-F604 HydrophobicContact CG2-CD1 4.17Å; V583-F604 HydrophobicContact CG2-CD2 4.39Å; V583-F604 HydrophobicContact CG2-CE1 4.08Å; V583-F604 HydrophobicContact CG2-CE2 4.29Å; V583-F604 HydrophobicContact CG2-CG 4.32Å; V583-F604 HydrophobicContact CG2-CZ 4.13Å; A586-F604 HydrophobicContact CB-CE1 3.76Å; A586-F604 HydrophobicContact CB-CZ 3.44Å; A586-F604 VanDerWaalsContact CB-CZ 3.44Å; F604-F606 HydrophobicContact CB-CD1 3.93Å; F604-F606 HydrophobicContact CB-CE1 3.45Å; F604-F606 VanDerWaalsContact CB-CE1 3.45Å; F604-F606 HydrophobicContact CB-CZ 4.23Å; F604-F606 HydrophobicContact CG-CE1 4.08Å; F604-V716 HydrophobicContact CD2-CG1 4.04Å; F604-V716 HydrophobicContact CE2-CG1 3.72Å; F604-L717 PolarHBondContact N-O 3.1Å; F604-I718 HydrophobicContact CD2-CG1 4.25Å; F604-M719 PolarHBondContact O-N 2.67Å; F604-D764 WeakPolarHBondContact CA-O 3.27Å; F604-D764 HydrophobicContact CD1-CB 4.13Å; F604-I766 HydrophobicContact CB-CD1 4.43Å; F604-I766 HydrophobicContact CD1-CD1 3.79Å; F604-I766 HydrophobicContact CG-CD1 4.43Å
605L96.9Very high89.6Confident0 Ų023.3 Ų23.30%014%0.136CC..EExtended strand (participates in β ladder)trans-111.4108.8169.3-177.560.5000110.3L607 I682 M719 L750 L759 I762 D764 T765 I766L605-L607 HydrophobicContact CG-CG 4.36Å; L605-I682 HydrophobicContact CD1-CG2 3.78Å; L605-M719 CarbonylContact C-O 3.59Å; L605-M719 WeakPolarHBondContact CA-O 3.33Å; L605-M719 HydrophobicContact CD1-CB 3.72Å; L605-L750 HydrophobicContact CD2-CD1 3.69Å; L605-L750 HydrophobicContact CD2-CD2 4.3Å; L605-L759 HydrophobicContact CD2-CD2 4.02Å; L605-I762 HydrophobicContact CB-CD1 3.95Å; L605-I762 HydrophobicContact CB-CG2 4.11Å; L605-I762 HydrophobicContact CD2-CD1 4.07Å; L605-D764 PolarHBondContact N-O 3.39Å; L605-T765 HydrophobicContact CB-CG2 4.34Å; L605-T765 HydrophobicContact CD2-CG2 4.29Å; L605-T765 HydrophobicContact CG-CG2 4.43Å; L605-T765 CarbonylContact O-C 3.56Å; L605-T765 WeakPolarHBondContact O-CA 3.27Å; L605-I766 PolarHBondContact O-N 3.48Å
606F97.1Very high90.2Very high0 Ų024.8 Ų24.80%014%0.142CC..EExtended strand (participates in β ladder)trans-91.9108.3179.7-65.2-6000110.5V583 F604 K614 L617 I718 M719 T720 S721 I766 F768V583-F606 HydrophobicContact CG2-CE1 4.06Å; V583-F606 HydrophobicContact CG2-CZ 3.85Å; F604-F606 HydrophobicContact CB-CD1 3.93Å; F604-F606 HydrophobicContact CB-CE1 3.45Å; F604-F606 VanDerWaalsContact CB-CE1 3.45Å; F604-F606 HydrophobicContact CB-CZ 4.23Å; F604-F606 HydrophobicContact CG-CE1 4.08Å; F606-K614 HydrophobicContact CB-CB 4.4Å; F606-K614 HydrophobicContact CB-CD 3.93Å; F606-K614 HydrophobicContact CB-CG 4.05Å; F606-K614 HydrophobicContact CD2-CB 4.11Å; F606-K614 HydrophobicContact CD2-CG 4.46Å; F606-L617 HydrophobicContact CE2-CB 4.43Å; F606-L617 HydrophobicContact CE2-CD2 3.93Å; F606-L617 HydrophobicContact CE2-CG 4.37Å; F606-L617 HydrophobicContact CZ-CD2 3.73Å; F606-L617 HydrophobicContact CZ-CG 4.41Å; F606-I718 HydrophobicContact CD2-CG2 3.48Å; F606-I718 VanDerWaalsContact CD2-CG2 3.48Å; F606-I718 HydrophobicContact CE1-CG2 4.42Å; F606-I718 HydrophobicContact CE2-CD1 4.17Å; F606-I718 HydrophobicContact CE2-CG2 3.35Å; F606-I718 HydrophobicContact CG-CG2 4.08Å; F606-I718 HydrophobicContact CZ-CD1 4.19Å; F606-I718 HydrophobicContact CZ-CG1 4.38Å; F606-I718 HydrophobicContact CZ-CG2 3.86Å; F606-M719 PolarHBondContact N-O 3.01Å; F606-T720 CarbonylContact O-C 3.58Å; F606-T720 WeakPolarHBondContact O-CA 3.03Å; F606-S721 PolarHBondContact O-N 3.16Å; F606-I766 HydrophobicContact CD1-CB 4.08Å; F606-I766 HydrophobicContact CD1-CD1 4.11Å; F606-I766 HydrophobicContact CE1-CB 4.45Å; F606-I766 HydrophobicContact CE1-CD1 3.65Å; F606-F768 HydrophobicContact CB-CD2 3.94Å; F606-F768 HydrophobicContact CB-CE2 3.5Å; F606-F768 VanDerWaalsContact CB-CE2 3.5Å; F606-F768 HydrophobicContact CB-CZ 4.27Å; F606-F768 AromaticContact CD1-CE2 3.64Å; F606-F768 HydrophobicContact CD1-CE2 3.64Å; F606-F768 HydrophobicContact CD1-CZ 4.24Å; F606-F768 AromaticContact CD2-CE2 3.69Å; F606-F768 HydrophobicContact CD2-CE2 3.69Å; F606-F768 AromaticContact CD2-CZ 3.65Å; F606-F768 HydrophobicContact CD2-CZ 3.65Å; F606-F768 HydrophobicContact CE1-CE2 4.25Å; F606-F768 HydrophobicContact CE1-CZ 4.5Å; F606-F768 HydrophobicContact CE2-CE2 4.29Å; F606-F768 AromaticContact CE2-CZ 3.95Å; F606-F768 HydrophobicContact CE2-CZ 3.95Å; F606-F768 HydrophobicContact CG-CD2 4.26Å; F606-F768 AromaticContact CG-CE2 3.33Å; F606-F768 HydrophobicContact CG-CE2 3.33Å; F606-F768 AromaticContact CG-CZ 3.81Å; F606-F768 HydrophobicContact CG-CZ 3.81Å; F606-F768 HydrophobicContact CZ-CZ 4.38Å
607L95Very high90.9Very high0 Ų020.9 Ų20.90%012%0.122CC..EExtended strand (participates in β ladder)trans-102.6130.4178.2-70.7165.5000110.1L605 I723 V746 L750 T765 I766 L767 F768L605-L607 HydrophobicContact CG-CG 4.36Å; L607-I723 HydrophobicContact CD2-CB 4.05Å; L607-V746 HydrophobicContact CD1-CG1 4.3Å; L607-L750 HydrophobicContact CD1-CD1 3.9Å; L607-L750 HydrophobicContact CD1-CD2 3.9Å; L607-L750 HydrophobicContact CD1-CG 4.35Å; L607-L750 HydrophobicContact CD2-CD1 3.81Å; L607-L750 HydrophobicContact CG-CD1 4.38Å; L607-T765 HydrophobicContact CD1-CG2 3.44Å; L607-T765 VanDerWaalsContact CD1-CG2 3.44Å; L607-T765 HydrophobicContact CG-CG2 4.3Å; L607-I766 PolarHBondContact N-O 2.73Å; L607-L767 HydrophobicContact CB-CD2 3.87Å; L607-L767 HydrophobicContact CD1-CD2 3.99Å; L607-L767 CarbonylContact O-C 3.55Å; L607-L767 WeakPolarHBondContact O-CA 3.41Å; L607-F768 PolarHBondContact O-N 3.04Å
608G91.6Very high91.8Very high0 Ų016.2 Ų16.20%09%0.091CC..SBendtrans161.6-179.9172.400000113.5K614 S721 N722 S725G608-K614 PolarHBondContact O-NZ 3.46Å; G608-S721 PolarHBondContact N-O 2.96Å; G608-N722 PolarHBondContact O-OD1 3.44Å; G608-S725 PolarHBondContact O-OG 3.5Å
609P90.5Very high92.2Very high2 Ų215 Ų151%0.0138%0.082CC..  trans-60.2169.3179.9-10.621.7000112.2V612 L729 P770P609-V612 HydrophobicContact CB-CG1 3.87Å; P609-V612 HydrophobicContact CG-CG1 3.96Å; P609-V612 VanDerWaalsContact O-CG2 3.26Å; P609-V612 WeakPolarHBondContact O-CG2 3.45Å; P609-L729 HydrophobicContact CB-CD2 4.36Å; P609-L729 HydrophobicContact CB-CG 4.47Å; P609-L729 HydrophobicContact CG-CD2 4.13Å; P609-L729 HydrophobicContact CG-CG 4.18Å; P609-P770 HydrophobicContact CG-CG 4.1Å
610T90.1Very high92.3Very high31 Ų3112.7 Ų12.719%0.197%0.074CC..THydrogen-bonded Turntrans-78.4149.7173.9-157.80000111.4V612 R820T610-V612 VanDerWaalsContact C-N 3.3Å; T610-V612 PolarHBondContact O-N 3.42Å; T610-R820 PolarHBondContact OG1-NE 2.84Å; T610-R820 PolarHBondContact OG1-NH1 3.48Å; T610-R820 PolarHBondContact OG1-NH2 3.04Å
611G88.9Confident92.4Very high20 Ų2012.7 Ų12.721%0.2067%0.074CC..THydrogen-bonded Turntrans73.114.9174.200000115.8A819G611-A819 WeakPolarHBondContact O-CB 3.4Å; G611-A819 PolarHBondContact O-N 2.9Å
612V91.4Very high92.5Very high4 Ų412 Ų122%0.0247%0.07CC..SBendtrans-92.2-7.1179.7-60.60000114.5P609 T610 K614 F768P609-V612 HydrophobicContact CB-CG1 3.87Å; P609-V612 HydrophobicContact CG-CG1 3.96Å; P609-V612 VanDerWaalsContact O-CG2 3.26Å; P609-V612 WeakPolarHBondContact O-CG2 3.45Å; T610-V612 VanDerWaalsContact C-N 3.3Å; T610-V612 PolarHBondContact O-N 3.42Å; V612-K614 HydrophobicContact CG2-CG 4.17Å; V612-F768 HydrophobicContact CG2-CB 3.64Å; V612-F768 HydrophobicContact CG2-CD1 3.9Å; V612-F768 HydrophobicContact CG2-CG 4.13Å
613G91.8Very high92.3Very high17 Ų1716.3 Ų16.318%0.1759%0.091CC..SBendtrans121-0.3175.100000116.5T615 E616 L617G613-T615 VanDerWaalsContact C-N 3.33Å; G613-T615 PolarHBondContact O-N 3.32Å; G613-E616 PolarHBondContact O-N 3.42Å; G613-L617 PolarHBondContact O-N 3.41Å
614K93.7Very high91.9Very high13 Ų1317 Ų176%0.0579%0.094CC..Hα-helixtrans-47.2-51.4178.9-62-174.8-66.5-165.80113.3F606 G608 V612 A618 T720 S721 N722 F768F606-K614 HydrophobicContact CB-CB 4.4Å; F606-K614 HydrophobicContact CB-CD 3.93Å; F606-K614 HydrophobicContact CB-CG 4.05Å; F606-K614 HydrophobicContact CD2-CB 4.11Å; F606-K614 HydrophobicContact CD2-CG 4.46Å; G608-K614 PolarHBondContact O-NZ 3.46Å; V612-K614 HydrophobicContact CG2-CG 4.17Å; K614-A618 PolarHBondContact O-N 2.98Å; K614-T720 HydrophobicContact CB-CG2 4.13Å; K614-S721 PolarHBondContact NZ-O 3.37Å; K614-N722 PolarHBondContact NZ-OD1 2.99Å; K614-F768 HydrophobicContact CB-CE1 4.4Å; K614-F768 HydrophobicContact CD-CD2 4.43Å; K614-F768 HydrophobicContact CD-CG 4.42Å; K614-F768 HydrophobicContact CG-CB 4.44Å; K614-F768 HydrophobicContact CG-CD1 3.74Å; K614-F768 HydrophobicContact CG-CD2 3.94Å; K614-F768 HydrophobicContact CG-CE1 3.89Å; K614-F768 HydrophobicContact CG-CE2 4.11Å; K614-F768 HydrophobicContact CG-CG 3.76Å; K614-F768 HydrophobicContact CG-CZ 4.07Å
615T91.2Very high91.1Very high34 Ų3417.5 Ų17.521%0.20910%0.097CC..Hα-helixtrans-73.5-32.1178.3-47.90000112.8G613 A618 K619 L678G613-T615 VanDerWaalsContact C-N 3.33Å; G613-T615 PolarHBondContact O-N 3.32Å; T615-A618 PolarHBondContact O-N 2.93Å; T615-K619 WeakPolarHBondContact O-CG 3.5Å; T615-K619 PolarHBondContact O-N 3.48Å; T615-L678 HydrophobicContact CG2-CD2 3.81Å
616E92Very high90.3Very high72 Ų7218.4 Ų18.434%0.33610%0.101SC..Hα-helixtrans-70.1-35.5178.1-80.5-57.7142.500111.9R572 G613 K619 A620R572-E616 IonicContact CZ-OE2 2.77Å; R572-E616 IonicContact NH2-OE2 2.94Å; R572-E616 PolarHBondContact NH2-OE2 2.9Å; G613-E616 PolarHBondContact O-N 3.42Å; E616-K619 PolarHBondContact O-N 3.23Å; E616-K619 IonicContact OE1-NZ 2.76Å; E616-A620 VanDerWaalsContact O-CB 3.29Å; E616-A620 WeakPolarHBondContact O-CB 3.49Å; E616-A620 PolarHBondContact O-N 3.38Å
617L95Very high89.3Confident0 Ų023.4 Ų23.40%013%0.128CC..Hα-helixtrans-62.9-43.8172.3-178.258.7000111.4L569 V573 A579 V580 V583 F606 G613 K619 A620 L621 F768L569-L617 HydrophobicContact CD1-CD1 4.2Å; L569-L617 HydrophobicContact CD2-CD1 4.39Å; V573-L617 HydrophobicContact CG2-CB 3.97Å; V573-L617 HydrophobicContact CG2-CD1 3.97Å; A579-L617 HydrophobicContact CB-CD2 3.88Å; V580-L617 HydrophobicContact CG2-CD1 4.01Å; V583-L617 HydrophobicContact CG2-CD2 4.06Å; F606-L617 HydrophobicContact CE2-CB 4.43Å; F606-L617 HydrophobicContact CE2-CD2 3.93Å; F606-L617 HydrophobicContact CE2-CG 4.37Å; F606-L617 HydrophobicContact CZ-CD2 3.73Å; F606-L617 HydrophobicContact CZ-CG 4.41Å; G613-L617 PolarHBondContact O-N 3.41Å; L617-K619 PolarHBondContact O-N 3.05Å; L617-A620 PolarHBondContact O-N 3.31Å; L617-L621 VanDerWaalsContact O-CB 3.27Å; L617-L621 WeakPolarHBondContact O-CB 3.05Å; L617-L621 PolarHBondContact O-N 2.66Å; L617-F768 HydrophobicContact CD2-CZ 3.93Å
618A93.7Very high88.6Confident0 Ų025.1 Ų25.10%014%0.139CC..Hα-helixtrans-59.4-45.2175.400000111.8K614 T615 L621 A622 M632 I676 L678 I718K614-A618 PolarHBondContact O-N 2.98Å; T615-A618 PolarHBondContact O-N 2.93Å; A618-L621 PolarHBondContact O-N 3.3Å; A618-A622 PolarHBondContact O-N 3.25Å; A618-M632 HydrophobicContact CB-SD 3.87Å; A618-I676 HydrophobicContact CB-CG2 4.42Å; A618-I676 VanDerWaalsContact O-CD1 3.28Å; A618-I676 WeakPolarHBondContact O-CD1 3.47Å; A618-L678 HydrophobicContact CB-CD1 4.22Å; A618-L678 HydrophobicContact CB-CD2 4.29Å; A618-I718 HydrophobicContact CB-CD1 3.65Å
619K92.6Very high88.1Confident54 Ų5428 Ų2824%0.23515%0.153CC..Hα-helixtrans-64.8-46.4177.5-73.5172.9161-146.30113.5T615 E616 L617 L621 A622 E623 E629 M632T615-K619 WeakPolarHBondContact O-CG 3.5Å; T615-K619 PolarHBondContact O-N 3.48Å; E616-K619 PolarHBondContact O-N 3.23Å; E616-K619 IonicContact OE1-NZ 2.76Å; L617-K619 PolarHBondContact O-N 3.05Å; K619-L621 PolarHBondContact O-N 3.34Å; K619-A622 PolarHBondContact O-N 3.4Å; K619-A622 VanDerWaalsContact O-N 3.13Å; K619-E623 PolarHBondContact O-N 2.84Å; K619-E629 HydrophobicContact CB-CG 4.15Å; K619-E629 WeakPolarHBondContact CD-OE2 3.46Å; K619-E629 IonicContact NZ-OE2 3.56Å; K619-E629 PolarHBondContact NZ-OE2 3.02Å; K619-M632 HydrophobicContact CG-CE 3.72Å; K619-M632 HydrophobicContact CG-SD 4.33Å
620A91.2Very high87.7Confident3 Ų334.7 Ų34.73%0.02519%0.189CC..Hα-helixtrans-60-37.4176.900000111.2L569 R572 V573 E616 L617 N624L569-A620 HydrophobicContact CD2-CB 3.6Å; R572-A620 HydrophobicContact CB-CB 3.79Å; R572-A620 HydrophobicContact CG-CB 4.24Å; V573-A620 HydrophobicContact CG2-CB 4.45Å; E616-A620 VanDerWaalsContact O-CB 3.29Å; E616-A620 WeakPolarHBondContact O-CB 3.49Å; E616-A620 PolarHBondContact O-N 3.38Å; L617-A620 PolarHBondContact O-N 3.31Å; A620-N624 WeakPolarHBondContact O-CB 3.44Å; A620-N624 PolarHBondContact O-N 3.02Å
621L91.6Very high87.4Confident0 Ų035.8 Ų35.80%019%0.191CC..Hα-helixtrans-68-40.7175-167.368.7000112L565 L569 V583 V587 L617 A618 K619 N624 L625 I676 V716 I718L565-L621 HydrophobicContact CD1-CD1 4.22Å; L565-L621 HydrophobicContact CD2-CD1 4.48Å; L569-L621 HydrophobicContact CD1-CD1 4.02Å; L569-L621 HydrophobicContact CD2-CB 4.44Å; L569-L621 HydrophobicContact CD2-CD1 4.43Å; V583-L621 HydrophobicContact CG1-CD1 3.73Å; V583-L621 HydrophobicContact CG1-CD2 3.46Å; V583-L621 VanDerWaalsContact CG1-CD2 3.46Å; V583-L621 HydrophobicContact CG1-CG 4.19Å; V587-L621 HydrophobicContact CG2-CD1 4.29Å; L617-L621 VanDerWaalsContact O-CB 3.27Å; L617-L621 WeakPolarHBondContact O-CB 3.05Å; L617-L621 PolarHBondContact O-N 2.66Å; A618-L621 PolarHBondContact O-N 3.3Å; K619-L621 PolarHBondContact O-N 3.34Å; L621-N624 PolarHBondContact O-N 2.98Å; L621-L625 HydrophobicContact CD1-CD1 3.76Å; L621-L625 HydrophobicContact CD1-CG 4.02Å; L621-L625 HydrophobicContact CD2-CD1 4.33Å; L621-L625 HydrophobicContact CG-CD1 3.76Å; L621-L625 HydrophobicContact CG-CG 4.21Å; L621-L625 WeakPolarHBondContact O-CB 3.48Å; L621-L625 WeakPolarHBondContact O-CG 3.25Å; L621-L625 PolarHBondContact O-N 3.05Å; L621-I676 HydrophobicContact CB-CD1 3.61Å; L621-I676 HydrophobicContact CD2-CD1 3.75Å; L621-I676 HydrophobicContact CG-CD1 3.72Å; L621-V716 HydrophobicContact CD2-CG1 4.04Å; L621-I718 HydrophobicContact CD2-CD1 4.42Å
622A87.9Confident87.5Confident0 Ų036.3 Ų36.30%019%0.189CC..Hα-helixtrans-63.5-48.2177.600000111.2A618 K619 N624 L625 F626 S628 M632 I676A618-A622 PolarHBondContact O-N 3.25Å; K619-A622 PolarHBondContact O-N 3.4Å; K619-A622 VanDerWaalsContact O-N 3.13Å; A622-N624 VanDerWaalsContact C-N 3.32Å; A622-N624 PolarHBondContact O-N 2.7Å; A622-L625 PolarHBondContact O-N 2.72Å; A622-F626 CarbonylContact O-C 3.57Å; A622-F626 WeakPolarHBondContact O-CA 3.37Å; A622-F626 WeakPolarHBondContact O-CB 3.44Å; A622-F626 PolarHBondContact O-N 2.65Å; A622-S628 CarbonylContact C-O 3.53Å; A622-M632 HydrophobicContact CB-CB 4.37Å; A622-I676 HydrophobicContact CB-CD1 3.77Å; A622-I676 HydrophobicContact CB-CG1 4.13Å
623E85.3Confident87.5Confident92 Ų9237.3 Ų37.343%0.4320%0.195SC..Hα-helixtrans-59.6-41.3176-176.8-175.9-153.300111.8R572 K619 D627 E629R572-E623 IonicContact CZ-OE2 2.65Å; R572-E623 IonicContact NH1-OE2 2.98Å; R572-E623 PolarHBondContact NH1-OE2 3.03Å; K619-E623 PolarHBondContact O-N 2.84Å; E623-D627 WeakPolarHBondContact O-CA 3.42Å; E623-D627 PolarHBondContact O-N 3.16Å; E623-E629 HydrophobicContact CB-CG 4.31Å
624N85.4Confident87.7Confident15 Ų1542.9 Ų42.98%0.0821%0.211CC..Hα-helixtrans-74.8-41.1-179.2-158.2-73.8000112.6K561 L565 T568 A620 L621 A622K561-N624 WeakPolarHBondContact CE-O 3.42Å; K561-N624 PolarHBondContact NZ-O 3.01Å; L565-N624 HydrophobicContact CD1-CB 3.82Å; L565-N624 VanDerWaalsContact CD1-CG 3.48Å; L565-N624 VanDerWaalsContact CD1-OD1 3.28Å; L565-N624 WeakPolarHBondContact CD1-OD1 3.38Å; T568-N624 WeakPolarHBondContact CG2-ND2 2.86Å; A620-N624 WeakPolarHBondContact O-CB 3.44Å; A620-N624 PolarHBondContact O-N 3.02Å; L621-N624 PolarHBondContact O-N 2.98Å; A622-N624 VanDerWaalsContact C-N 3.32Å; A622-N624 PolarHBondContact O-N 2.7Å
625L80.5Confident87.7Confident11 Ų1142.7 Ų42.76%0.05821%0.21CC..Hα-helixtrans-85.4-28.3-175.6-62.3-175.6000114.3L562 L565 V587 L621 A622 V716L562-L625 HydrophobicContact CD2-CD2 4.16Å; L565-L625 HydrophobicContact CD1-CD2 4.24Å; L565-L625 HydrophobicContact CD2-CD2 4.23Å; V587-L625 HydrophobicContact CG1-CD1 3.79Å; V587-L625 HydrophobicContact CG1-CD2 3.63Å; V587-L625 HydrophobicContact CG1-CG 4.37Å; V587-L625 HydrophobicContact CG2-CD1 3.86Å; L621-L625 HydrophobicContact CD1-CD1 3.76Å; L621-L625 HydrophobicContact CD1-CG 4.02Å; L621-L625 HydrophobicContact CD2-CD1 4.33Å; L621-L625 HydrophobicContact CG-CD1 3.76Å; L621-L625 HydrophobicContact CG-CG 4.21Å; L621-L625 WeakPolarHBondContact O-CB 3.48Å; L621-L625 WeakPolarHBondContact O-CG 3.25Å; L621-L625 PolarHBondContact O-N 3.05Å; A622-L625 PolarHBondContact O-N 2.72Å; L625-V716 HydrophobicContact CD1-CG2 4.45Å
626F80.2Confident87.9Confident19 Ų1943.7 Ų43.78%0.08321%0.214CC..Hα-helixtrans-130.714.3-170.9-49.8-53.6000112.4L601 A622 S628 H631 Y674 I676L601-F626 HydrophobicContact CD1-CZ 4.49Å; A622-F626 CarbonylContact O-C 3.57Å; A622-F626 WeakPolarHBondContact O-CA 3.37Å; A622-F626 WeakPolarHBondContact O-CB 3.44Å; A622-F626 PolarHBondContact O-N 2.65Å; F626-S628 PolarHBondContact O-N 2.9Å; F626-H631 HydrophobicContact CB-CB 3.56Å; F626-H631 HydrophobicContact CD2-CB 4.02Å; F626-H631 HydrophobicContact CG-CB 4.12Å; F626-H631 PolarHBondContact O-CD2 2.86Å; F626-Y674 HydrophobicContact CE1-CD1 4.24Å; F626-I676 HydrophobicContact CD2-CG1 4.23Å; F626-I676 HydrophobicContact CE2-CG1 3.76Å
627D76.3Confident88.1Confident105 Ų10540.2 Ų40.256%0.56120%0.198SC*.SBendtrans61.94.6173.3-60.3-55.6000116K561 E623K561-D627 IonicContact NZ-OD1 3.41Å; K561-D627 PolarHBondContact NZ-OD1 3.21Å; E623-D627 WeakPolarHBondContact O-CA 3.42Å; E623-D627 PolarHBondContact O-N 3.16Å
628S79.7Confident88Confident35 Ų3542 Ų4225%0.24521%0.211CC..SBendtrans-153.8144.5172171.40000112.9A622 F626 D630 H631A622-S628 CarbonylContact C-O 3.53Å; F626-S628 PolarHBondContact O-N 2.9Å; S628-D630 PolarHBondContact O-N 3.2Å; S628-D630 WeakPolarHBondContact OG-CB 3.3Å; S628-D630 PolarHBondContact OG-N 2.88Å; S628-H631 PolarHBondContact O-N 3.31Å
629E82.4Confident87.9Confident62 Ų6247.1 Ų47.129%0.2923%0.234SC..THydrogen-bonded Turntrans-63.2-22.3170.6-66.5-166179.900112.6R572 K619 E623 H631 M632R572-E629 IonicContact CZ-OE1 3.75Å; R572-E629 IonicContact NH1-OE1 2.76Å; R572-E629 PolarHBondContact NH1-OE1 3.34Å; R572-E629 IonicContact NH2-OE1 2.65Å; R572-E629 PolarHBondContact NH2-OE1 3.27Å; K619-E629 HydrophobicContact CB-CG 4.15Å; K619-E629 WeakPolarHBondContact CD-OE2 3.46Å; K619-E629 IonicContact NZ-OE2 3.56Å; K619-E629 PolarHBondContact NZ-OE2 3.02Å; E623-E629 HydrophobicContact CB-CG 4.31Å; E629-H631 PolarHBondContact O-N 3.47Å; E629-M632 WeakPolarHBondContact O-CB 3.48Å
630D81Confident88Confident142 Ų14244.6 Ų44.676%0.75922%0.223SC*.THydrogen-bonded Turntrans-72.5-15.7-179.3-63.9-33000112.3S628 M632S628-D630 PolarHBondContact O-N 3.2Å; S628-D630 WeakPolarHBondContact OG-CB 3.3Å; S628-D630 PolarHBondContact OG-N 2.88Å; D630-M632 PolarHBondContact O-N 3.23Å
631H83.8Confident88.1Confident53 Ų5349.8 Ų49.825%0.24525%0.249CC..SBendtrans-74.441.2168.5-71.2-76.5000112.1F626 S628 E629 T675 I676F626-H631 HydrophobicContact CB-CB 3.56Å; F626-H631 HydrophobicContact CD2-CB 4.02Å; F626-H631 HydrophobicContact CG-CB 4.12Å; F626-H631 PolarHBondContact O-CD2 2.86Å; S628-H631 PolarHBondContact O-N 3.31Å; E629-H631 PolarHBondContact O-N 3.47Å; H631-T675 WeakPolarHBondContact O-CA 3.13Å; H631-T675 PolarHBondContact O-OG1 3Å; H631-I676 PolarHBondContact O-N 2.94Å
632M90.4Very high88.1Confident31 Ų3156.1 Ų56.115%0.15328%0.278CS..EExtended strand (participates in β ladder)trans-134.4119.5175.5-176.2-179.358.700110.8A618 K619 A622 E629 D630 R634 T675 I676 L678A618-M632 HydrophobicContact CB-SD 3.87Å; K619-M632 HydrophobicContact CG-CE 3.72Å; K619-M632 HydrophobicContact CG-SD 4.33Å; A622-M632 HydrophobicContact CB-CB 4.37Å; E629-M632 WeakPolarHBondContact O-CB 3.48Å; D630-M632 PolarHBondContact O-N 3.23Å; M632-R634 PolarHBondContact O-N 3.46Å; M632-T675 PolarHBondContact N-OG1 3.41Å; M632-I676 CarbonylContact C-O 3.58Å; M632-I676 WeakPolarHBondContact CA-O 3.38Å; M632-I676 HydrophobicContact CB-CB 4.34Å; M632-I676 HydrophobicContact CG-CB 4.12Å; M632-I676 HydrophobicContact CG-CG2 4.22Å; M632-L678 HydrophobicContact CE-CD2 4.5Å; M632-L678 HydrophobicContact CG-CB 4.16Å; M632-L678 HydrophobicContact SD-CB 4Å; M632-L678 HydrophobicContact SD-CD2 3.85Å
633V92.5Very high88.1Confident25 Ų2562.3 Ų62.315%0.15231%0.305CS..EExtended strand (participates in β ladder)trans-87.8105.6170.2-175.70000108.6I635 A668 T675 I676 I677 L678V633-I635 HydrophobicContact CG1-CD1 4.21Å; V633-I635 HydrophobicContact CG1-CG1 4.09Å; V633-A668 HydrophobicContact CG1-CB 4.04Å; V633-A668 HydrophobicContact CG2-CB 3.61Å; V633-T675 HydrophobicContact CG2-CG2 4Å; V633-I676 PolarHBondContact N-O 3.44Å; V633-I677 CarbonylContact O-C 3.28Å; V633-I677 WeakPolarHBondContact O-CA 3.41Å; V633-L678 PolarHBondContact O-N 2.88Å
634R94.8Very high88Confident134 Ų13464.9 Ų64.951%0.50632%0.317SS..EExtended strand (participates in β ladder)trans-98.1127.6177.5-174.8177.5-179.8-162.9-1.2111.3M632 L678 D680M632-R634 PolarHBondContact O-N 3.46Å; R634-L678 CarbonylContact C-O 3.6Å; R634-L678 WeakPolarHBondContact CA-O 3.33Å; R634-L678 HydrophobicContact CG-CB 4.47Å; R634-L678 HydrophobicContact CG-CD2 4.1Å; R634-L678 HydrophobicContact CG-CG 4.41Å; R634-D680 IonicContact CZ-OD2 3.7Å; R634-D680 IonicContact NE-OD2 2.83Å; R634-D680 IonicContact NH2-OD2 2.68Å; R634-D680 PolarHBondContact NH2-OD2 3.35Å
635I95.2Very high88.1Confident9 Ų965.1 Ų65.15%0.04632%0.319CS..EExtended strand (participates in β ladder)trans-131.2124.4178.4-46.4-175.6000109.4V633 M637 Y640 L649 L665 L678 L679 D680V633-I635 HydrophobicContact CG1-CD1 4.21Å; V633-I635 HydrophobicContact CG1-CG1 4.09Å; I635-M637 HydrophobicContact CB-CE 3.69Å; I635-M637 HydrophobicContact CG2-CE 3.25Å; I635-Y640 HydrophobicContact CG2-CD2 3.78Å; I635-Y640 HydrophobicContact CG2-CE2 3.2Å; I635-L649 HydrophobicContact CD1-CD2 3.66Å; I635-L649 HydrophobicContact CG2-CD2 4.14Å; I635-L665 HydrophobicContact CD1-CB 4.15Å; I635-L665 HydrophobicContact CD1-CD1 4Å; I635-L678 PolarHBondContact N-O 2.64Å; I635-L679 HydrophobicContact CB-CD2 3.95Å; I635-L679 HydrophobicContact CD1-CD2 4.16Å; I635-L679 HydrophobicContact CG1-CD2 4.27Å; I635-L679 WeakPolarHBondContact O-CA 3.47Å; I635-D680 PolarHBondContact O-N 3.33Å
636D95.7Very high88.4Confident55 Ų5565 Ų6529%0.29432%0.32SS..EExtended strand (participates in β ladder)trans-86.3118.5174.6-171.6-28.3000110S638 E639 Y640D636-S638 PolarHBondContact O-N 3.03Å; D636-S638 WeakPolarHBondContact OD1-CB 3.43Å; D636-S638 PolarHBondContact OD1-N 2.95Å; D636-S638 PolarHBondContact OD1-OG 2.72Å; D636-E639 PolarHBondContact O-N 2.91Å; D636-E639 VanDerWaalsContact O-N 3.11Å; D636-Y640 WeakPolarHBondContact O-CD2 3.35Å
637M95.9Very high88.7Confident0 Ų066.2 Ų66.20%033%0.33CS..G310 helixtrans-72-12.4-176.6-64.6-6899.800113.5I635 E639 Y640 L679 D680 E681 I682 A685 V689I635-M637 HydrophobicContact CB-CE 3.69Å; I635-M637 HydrophobicContact CG2-CE 3.25Å; M637-E639 PolarHBondContact O-N 2.89Å; M637-Y640 HydrophobicContact CE-CD2 3.86Å; M637-Y640 HydrophobicContact CE-CE2 4.43Å; M637-Y640 HydrophobicContact CE-CG 4.37Å; M637-Y640 CarbonylContact O-C 3.4Å; M637-Y640 PolarHBondContact O-N 3.31Å; M637-L679 HydrophobicContact CE-CB 4.46Å; M637-L679 HydrophobicContact CE-CD2 3.84Å; M637-L679 HydrophobicContact CG-CB 4.23Å; M637-L679 HydrophobicContact SD-CB 4.43Å; M637-L679 HydrophobicContact SD-CD2 4.49Å; M637-D680 VanDerWaalsContact CB-O 3.24Å; M637-D680 WeakPolarHBondContact CB-O 3.34Å; M637-D680 WeakPolarHBondContact CG-O 3.49Å; M637-D680 PolarHBondContact N-O 2.91Å; M637-E681 WeakPolarHBondContact CB-O 3.44Å; M637-I682 HydrophobicContact CG-CD1 3.83Å; M637-I682 HydrophobicContact SD-CD1 3.96Å; M637-A685 HydrophobicContact CB-CB 3.97Å; M637-A685 HydrophobicContact CG-CB 4.15Å; M637-A685 HydrophobicContact SD-CB 3.9Å; M637-V689 HydrophobicContact SD-CG1 4.05Å
638S92.6Very high89.2Confident38 Ų3865.7 Ų65.727%0.26632%0.32SS..G310 helixtrans-60.6-28.9167.2-64.30000112.4D636 Y640 M641 E681 K684D636-S638 PolarHBondContact O-N 3.03Å; D636-S638 WeakPolarHBondContact OD1-CB 3.43Å; D636-S638 PolarHBondContact OD1-N 2.95Å; D636-S638 PolarHBondContact OD1-OG 2.72Å; S638-Y640 PolarHBondContact O-N 3.35Å; S638-M641 VanDerWaalsContact O-CG 3.32Å; S638-M641 WeakPolarHBondContact O-CG 3.28Å; S638-E681 PolarHBondContact OG-OE2 2.6Å; S638-K684 WeakPolarHBondContact OG-CD 3.42Å; S638-K684 PolarHBondContact OG-NZ 3.44Å
639E91.7Very high89.6Confident106 Ų10664.2 Ų64.250%0.49531%0.31SS..G310 helixtrans-76.1-15.1175.6-64.9-169.7-149.900113.2D636 M637 S645 R648D636-E639 PolarHBondContact O-N 2.91Å; D636-E639 VanDerWaalsContact O-N 3.11Å; M637-E639 PolarHBondContact O-N 2.89Å; E639-S645 WeakPolarHBondContact O-CB 3.37Å; E639-S645 PolarHBondContact O-OG 2.96Å; E639-R648 PolarHBondContact O-NH2 2.98Å; E639-R648 VanDerWaalsContact O-NH2 3.12Å; E639-R648 IonicContact OE2-NH1 3.56Å
640Y94.3Very high89.8Confident1 Ų162.2 Ų62.20%0.00430%0.302CS..G310 helixtrans-113.224.6-172.7-66.6-88.6000112.7I635 D636 M637 S638 E642 S645 R648 L649 Q664 H686I635-Y640 HydrophobicContact CG2-CD2 3.78Å; I635-Y640 HydrophobicContact CG2-CE2 3.2Å; D636-Y640 WeakPolarHBondContact O-CD2 3.35Å; M637-Y640 HydrophobicContact CE-CD2 3.86Å; M637-Y640 HydrophobicContact CE-CE2 4.43Å; M637-Y640 HydrophobicContact CE-CG 4.37Å; M637-Y640 CarbonylContact O-C 3.4Å; M637-Y640 PolarHBondContact O-N 3.31Å; S638-Y640 PolarHBondContact O-N 3.35Å; Y640-E642 VanDerWaalsContact C-N 3.3Å; Y640-S645 VanDerWaalsContact CD1-O 3.28Å; Y640-S645 WeakPolarHBondContact CD1-O 3.38Å; Y640-S645 WeakPolarHBondContact CE1-O 3.48Å; Y640-R648 HydrophobicContact CE1-CB 4.07Å; Y640-L649 HydrophobicContact CD1-CD1 4.16Å; Y640-L649 HydrophobicContact CD1-CD2 4.12Å; Y640-L649 HydrophobicContact CD1-CG 3.83Å; Y640-L649 HydrophobicContact CE1-CD1 4.27Å; Y640-L649 HydrophobicContact CE1-CD2 3.52Å; Y640-L649 HydrophobicContact CE1-CG 3.44Å; Y640-L649 VanDerWaalsContact CE1-CG 3.44Å; Y640-L649 HydrophobicContact CE2-CD2 4.16Å; Y640-Q664 PolarHBondContact OH-OE1 2.89Å; Y640-H686 WeakPolarHBondContact O-CB 3.39Å; Y640-H686 PolarHBondContact O-N 2.94Å
641M93.1Very high89.8Confident113 Ų11355.7 Ų55.756%0.55727%0.268SS*.SBendtrans-68.7-28174.1-66.1178.771.700112.9S638 K684 H686S638-M641 VanDerWaalsContact O-CG 3.32Å; S638-M641 WeakPolarHBondContact O-CG 3.28Å; M641-K684 HydrophobicContact CG-CB 4.28Å; M641-K684 VanDerWaalsContact CG-O 3.28Å; M641-K684 WeakPolarHBondContact CG-O 3.28Å; M641-H686 PolarHBondContact O-CD2 3.36Å
642E91.5Very high89.3Confident132 Ų13254 Ų5462%0.61726%0.263SS*.SBendtrans-99.1144.5-178.5-63.5-168179.400112.5Y640 H644 S645 V646Y640-E642 VanDerWaalsContact C-N 3.3Å; E642-H644 VanDerWaalsContact C-N 3.28Å; E642-H644 PolarHBondContact O-N 3.41Å; E642-S645 WeakPolarHBondContact O-CB 3.37Å; E642-S645 PolarHBondContact O-N 3.3Å; E642-S645 VanDerWaalsContact O-N 3.08Å; E642-V646 PolarHBondContact O-N 2.71Å
643K87.4Confident88.1Confident131 Ų13155.4 Ų55.457%0.5727%0.274SS*.Hα-helixtrans-55.8-38.6-179.2-174.4169.2-176.7166.20113.8V646 D688K643-V646 WeakPolarHBondContact O-CB 3.29Å; K643-V646 PolarHBondContact O-N 2.73Å; K643-D688 VanDerWaalsContact CE-OD2 3.27Å; K643-D688 WeakPolarHBondContact CE-OD2 3.39Å; K643-D688 IonicContact NZ-OD2 3.55Å
644H84.2Confident86.6Confident146 Ų14658.4 Ų58.468%0.67629%0.294SS*.Hα-helixtrans-69.2-34.4-179.8-59.9-64.7000112.1E642 V646 S647E642-H644 VanDerWaalsContact C-N 3.28Å; E642-H644 PolarHBondContact O-N 3.41Å; H644-V646 VanDerWaalsContact C-N 3.28Å; H644-V646 PolarHBondContact O-N 3.09Å; H644-S647 PolarHBondContact O-N 2.98Å; H644-S647 PolarHBondContact O-OG 3.15Å
645S86.6Confident84.8Confident19 Ų1955.9 Ų55.913%0.13331%0.31CS..Hα-helixtrans-62.5-34.7175.2-69.10000112.3E639 Y640 E642 S647 R648E639-S645 WeakPolarHBondContact O-CB 3.37Å; E639-S645 PolarHBondContact O-OG 2.96Å; Y640-S645 VanDerWaalsContact CD1-O 3.28Å; Y640-S645 WeakPolarHBondContact CD1-O 3.38Å; Y640-S645 WeakPolarHBondContact CE1-O 3.48Å; E642-S645 WeakPolarHBondContact O-CB 3.37Å; E642-S645 PolarHBondContact O-N 3.3Å; E642-S645 VanDerWaalsContact O-N 3.08Å; S645-S647 PolarHBondContact O-N 3.04Å; S645-S647 VanDerWaalsContact O-N 3.16Å; S645-R648 VanDerWaalsContact O-CB 3.26Å; S645-R648 WeakPolarHBondContact O-CB 3.44Å; S645-R648 PolarHBondContact O-N 3.47Å; S645-R648 PolarHBondContact OG-NH2 3.23Å
646V87.2Confident83.2Confident10 Ų1062.8 Ų62.86%0.06134%0.337CS..Hα-helixtrans-54.7-36178.8-174.70000112.2E642 K643 H644 R648 L649 H686 D688 V689 I692E642-V646 PolarHBondContact O-N 2.71Å; K643-V646 WeakPolarHBondContact O-CB 3.29Å; K643-V646 PolarHBondContact O-N 2.73Å; H644-V646 VanDerWaalsContact C-N 3.28Å; H644-V646 PolarHBondContact O-N 3.09Å; V646-R648 PolarHBondContact O-N 3.17Å; V646-L649 WeakPolarHBondContact O-CB 3.4Å; V646-L649 PolarHBondContact O-N 3.5Å; V646-L649 VanDerWaalsContact O-N 3.12Å; V646-H686 HydrophobicContact CG2-CB 3.78Å; V646-D688 HydrophobicContact CG1-CB 4.15Å; V646-D688 HydrophobicContact CG2-CB 4.42Å; V646-V689 HydrophobicContact CB-CG2 4.43Å; V646-V689 HydrophobicContact CG1-CG2 4.02Å; V646-V689 HydrophobicContact CG2-CG2 3.75Å; V646-I692 HydrophobicContact CG1-CD1 3.53Å
647S86.4Confident81Confident44 Ų4467.6 Ų67.631%0.30837%0.368SS..Hα-helixtrans-60.8-26.5176.969.60000113H644 S645 L649 V650 G651H644-S647 PolarHBondContact O-N 2.98Å; H644-S647 PolarHBondContact O-OG 3.15Å; S645-S647 PolarHBondContact O-N 3.04Å; S645-S647 VanDerWaalsContact O-N 3.16Å; S647-L649 PolarHBondContact O-N 3.27Å; S647-V650 PolarHBondContact O-N 3.1Å; S647-G651 CarbonylContact O-C 3.6Å; S647-G651 WeakPolarHBondContact O-CA 3.49Å; S647-G651 PolarHBondContact O-N 2.77Å
648R87.1Confident79.1Confident94 Ų9469 Ų6936%0.35538%0.382SS..Hα-helixtrans-64.6-23.9177-64.5-173-81.2147.6-4113.3E639 Y640 S645 V646 V650 G663 Q664E639-R648 PolarHBondContact O-NH2 2.98Å; E639-R648 VanDerWaalsContact O-NH2 3.12Å; E639-R648 IonicContact OE2-NH1 3.56Å; Y640-R648 HydrophobicContact CE1-CB 4.07Å; S645-R648 VanDerWaalsContact O-CB 3.26Å; S645-R648 WeakPolarHBondContact O-CB 3.44Å; S645-R648 PolarHBondContact O-N 3.47Å; S645-R648 PolarHBondContact OG-NH2 3.23Å; V646-R648 PolarHBondContact O-N 3.17Å; R648-V650 VanDerWaalsContact C-N 3.34Å; R648-G663 CarbonylContact O-C 3.57Å; R648-G663 WeakPolarHBondContact O-CA 3.47Å; R648-Q664 PolarHBondContact O-N 2.91Å
649L88.7Confident77.3Confident3 Ų370.9 Ų70.92%0.01638%0.384CS..Hα-helixtrans-66.9-36.8176.6-65.9176.3000112.2I635 Y640 V646 S647 G663 Q664 L665 T666 V689I635-L649 HydrophobicContact CD1-CD2 3.66Å; I635-L649 HydrophobicContact CG2-CD2 4.14Å; Y640-L649 HydrophobicContact CD1-CD1 4.16Å; Y640-L649 HydrophobicContact CD1-CD2 4.12Å; Y640-L649 HydrophobicContact CD1-CG 3.83Å; Y640-L649 HydrophobicContact CE1-CD1 4.27Å; Y640-L649 HydrophobicContact CE1-CD2 3.52Å; Y640-L649 HydrophobicContact CE1-CG 3.44Å; Y640-L649 VanDerWaalsContact CE1-CG 3.44Å; Y640-L649 HydrophobicContact CE2-CD2 4.16Å; V646-L649 WeakPolarHBondContact O-CB 3.4Å; V646-L649 PolarHBondContact O-N 3.5Å; V646-L649 VanDerWaalsContact O-N 3.12Å; S647-L649 PolarHBondContact O-N 3.27Å; L649-G663 CarbonylContact O-C 3.57Å; L649-G663 VanDerWaalsContact O-C 3.29Å; L649-G663 VanDerWaalsContact O-CA 3.26Å; L649-G663 WeakPolarHBondContact O-CA 3.13Å; L649-Q664 PolarHBondContact O-N 3.4Å; L649-L665 HydrophobicContact CB-CB 4.27Å; L649-L665 HydrophobicContact CD2-CB 4.27Å; L649-L665 WeakPolarHBondContact O-CB 3.48Å; L649-L665 PolarHBondContact O-N 3.49Å; L649-T666 PolarHBondContact O-N 2.84Å; L649-V689 HydrophobicContact CD1-CG1 4.1Å; L649-V689 HydrophobicContact CD1-CG2 4.28Å
650V85.7Confident75.6Confident21 Ų2174.2 Ų74.213%0.12740%0.399CS..Hα-helixtrans-112.5-11.7-169-169.20000112.1S647 R648 T666 I692 L702 T703 D704 S705S647-V650 PolarHBondContact O-N 3.1Å; R648-V650 VanDerWaalsContact C-N 3.34Å; V650-T666 HydrophobicContact CG1-CG2 4.25Å; V650-I692 HydrophobicContact CG2-CD1 3.68Å; V650-I692 HydrophobicContact CG2-CG1 4.26Å; V650-I692 HydrophobicContact CG2-CG2 4.37Å; V650-L702 HydrophobicContact CG2-CD2 4.09Å; V650-T703 WeakPolarHBondContact CG1-O 3.22Å; V650-D704 VanDerWaalsContact CG1-CA 3.49Å; V650-D704 HydrophobicContact CG1-CB 4.46Å; V650-S705 PolarHBondContact O-N 3.36Å; V650-S705 PolarHBondContact O-OG 3.11Å
651G81.8Confident74Confident5 Ų581.4 Ų81.45%0.05243%0.433CS..BIsolated β-bridgetrans105.5149.2-177.700000111.5S647 S705S647-G651 CarbonylContact O-C 3.6Å; S647-G651 WeakPolarHBondContact O-CA 3.49Å; S647-G651 PolarHBondContact O-N 2.77Å; G651-S705 VanDerWaalsContact C-OG 3.26Å; G651-S705 WeakPolarHBondContact CA-OG 3.35Å; G651-S705 VanDerWaalsContact O-CB 3.27Å; G651-S705 WeakPolarHBondContact O-CB 3.39Å; G651-S705 PolarHBondContact O-OG 3.17Å
652A72.1Confident72.7Confident18 Ų1876.9 Ų76.915%0.14942%0.416CS..PPolyproline II helixtrans-64.5147.2177.600000110.3Y659 S705A652-Y659 WeakPolarHBondContact O-CD2 3.45Å; A652-S705 WeakPolarHBondContact O-CB 3.31Å; A652-S705 PolarHBondContact O-OG 2.69Å
653P64.8Low72.3Confident59 Ų5970.6 Ų70.638%0.38339%0.386SS..PPolyproline II helixtrans-67.6160.8171.624.1-29.3000111.8G655 Y656 Y659P653-G655 PolarHBondContact O-N 2.93Å; P653-Y656 HydrophobicContact CG-CD2 3.85Å; P653-Y656 HydrophobicContact CG-CE2 3.98Å; P653-Y656 PolarHBondContact O-N 3.24Å; P653-Y659 VanDerWaalsContact C-CD2 3.49Å
654P61.2Low72.2Confident88 Ų8869.1 Ų69.157%0.57138%0.381SS*.THydrogen-bonded Turntrans-53.2130.2177.4-22.529.8000112.3Y659P654-Y659 VanDerWaalsContact CA-CD2 3.47Å; P654-Y659 HydrophobicContact CB-CD2 4.36Å; P654-Y659 HydrophobicContact CB-CE2 3.95Å; P654-Y659 HydrophobicContact CG-CD2 4.35Å; P654-Y659 HydrophobicContact CG-CE2 3.56Å
655G58.2Low72.6Confident81 Ų8162.3 Ų62.384%0.83535%0.35SS*.THydrogen-bonded Turntrans104.7-0.7177.500000116.1P653P653-G655 PolarHBondContact O-N 2.93Å
656Y61.4Low72.7Confident154 Ų15461.4 Ų61.460%0.60434%0.343SS*.SBendtrans-104.9150.4174.5-72.3-98.1000111.8P653 G658 Y659P653-Y656 HydrophobicContact CG-CD2 3.85Å; P653-Y656 HydrophobicContact CG-CE2 3.98Å; P653-Y656 PolarHBondContact O-N 3.24Å; Y656-G658 PolarHBondContact O-N 3.47Å; Y656-Y659 WeakPolarHBondContact O-CB 3.49Å; Y656-Y659 PolarHBondContact O-N 3.4Å; Y656-Y659 VanDerWaalsContact O-N 3.13Å
657V49.3Very low72.6Confident157 Ų15762.5 Ų62.595%0.95235%0.348SS*.THydrogen-bonded Turntrans-61.3131.1171.8-179.50000108.5
658G55.8Low72.5Confident28 Ų2861.8 Ų61.829%0.28935%0.345SS..THydrogen-bonded Turntrans91.24.6-173.400000114.5Y656 E660 E661Y656-G658 PolarHBondContact O-N 3.47Å; G658-E660 PolarHBondContact O-N 3.35Å; G658-E660 VanDerWaalsContact O-N 3.13Å; G658-E661 WeakPolarHBondContact O-CA 3.37Å; G658-E661 WeakPolarHBondContact O-CB 3.02Å; G658-E661 PolarHBondContact O-N 3.17Å
659Y54.6Low72.6Confident78 Ų7857.3 Ų57.331%0.30633%0.328SS..SBendtrans-53.9-29.7171.4178.6-108.5000113.1A652 P653 P654 Y656 K706A652-Y659 WeakPolarHBondContact O-CD2 3.45Å; P653-Y659 VanDerWaalsContact C-CD2 3.49Å; P654-Y659 VanDerWaalsContact CA-CD2 3.47Å; P654-Y659 HydrophobicContact CB-CD2 4.36Å; P654-Y659 HydrophobicContact CB-CE2 3.95Å; P654-Y659 HydrophobicContact CG-CD2 4.35Å; P654-Y659 HydrophobicContact CG-CE2 3.56Å; Y656-Y659 WeakPolarHBondContact O-CB 3.49Å; Y656-Y659 PolarHBondContact O-N 3.4Å; Y656-Y659 VanDerWaalsContact O-N 3.13Å; Y659-K706 HydrophobicContact CE2-CG 4.24Å; Y659-K706 WeakPolarHBondContact O-CE 3.47Å; Y659-K706 PolarHBondContact O-NZ 2.9Å
660E55.8Low72.3Confident176 Ų17661.9 Ų61.982%0.82235%0.345SS*.SBendtrans-74.3-32.4176.1-66.9-167.4170.600112.7G658 G662 K706G658-E660 PolarHBondContact O-N 3.35Å; G658-E660 VanDerWaalsContact O-N 3.13Å; E660-G662 PolarHBondContact O-N 3.47Å; E660-K706 PolarHBondContact O-NZ 2.67Å
661E60.9Low71.9Confident152 Ų15269.9 Ų69.971%0.7137%0.373SS*.SBendtrans-70.2112170.2-62.3-178.2173.900107.9G658G658-E661 WeakPolarHBondContact O-CA 3.37Å; G658-E661 WeakPolarHBondContact O-CB 3.02Å; G658-E661 PolarHBondContact O-N 3.17Å
662G66.8Low71.8Confident19 Ų1973.2 Ų73.220%0.19639%0.39CS..BIsolated β-bridgetrans-63.9173.5173.700000111.4E660 E667E660-G662 PolarHBondContact O-N 3.47Å; G662-E667 VanDerWaalsContact CA-CG 3.45Å
663G82.8Confident72.1Confident0 Ų073.7 Ų73.70%039%0.391CS..  trans-63.1141.5-176.400000113.2R648 L649 L665 T666 E667R648-G663 CarbonylContact O-C 3.57Å; R648-G663 WeakPolarHBondContact O-CA 3.47Å; L649-G663 CarbonylContact O-C 3.57Å; L649-G663 VanDerWaalsContact O-C 3.29Å; L649-G663 VanDerWaalsContact O-CA 3.26Å; L649-G663 WeakPolarHBondContact O-CA 3.13Å; G663-L665 PolarHBondContact O-N 3.09Å; G663-T666 WeakPolarHBondContact CA-OG1 3.47Å; G663-T666 PolarHBondContact N-OG1 3.16Å; G663-T666 PolarHBondContact O-N 3.22Å; G663-T666 PolarHBondContact O-OG1 3.43Å; G663-E667 VanDerWaalsContact O-CB 3.31Å; G663-E667 WeakPolarHBondContact O-CB 3.25Å; G663-E667 PolarHBondContact O-N 3.48Å
664Q85.8Confident73Confident99 Ų9971.7 Ų71.746%0.46338%0.376SS..Hα-helixtrans-55.1-37.4179.4-70.1-169.1-6.900112.4Y640 R648 L649 A668Y640-Q664 PolarHBondContact OH-OE1 2.89Å; R648-Q664 PolarHBondContact O-N 2.91Å; L649-Q664 PolarHBondContact O-N 3.4Å; Q664-A668 WeakPolarHBondContact O-CB 3.32Å
665L91.2Very high74.3Confident3 Ų367.6 Ų67.62%0.01635%0.349CS..Hα-helixtrans-82-50.5176.9-177.865.4000110.7I635 L649 G663 E667 A668 V669 I677 L702 F712I635-L665 HydrophobicContact CD1-CB 4.15Å; I635-L665 HydrophobicContact CD1-CD1 4Å; L649-L665 HydrophobicContact CB-CB 4.27Å; L649-L665 HydrophobicContact CD2-CB 4.27Å; L649-L665 WeakPolarHBondContact O-CB 3.48Å; L649-L665 PolarHBondContact O-N 3.49Å; G663-L665 PolarHBondContact O-N 3.09Å; L665-E667 PolarHBondContact O-N 3.27Å; L665-A668 PolarHBondContact O-N 2.76Å; L665-V669 HydrophobicContact CD1-CG2 4.21Å; L665-V669 WeakPolarHBondContact O-CB 3.35Å; L665-V669 WeakPolarHBondContact O-CG2 3.26Å; L665-V669 PolarHBondContact O-N 3.48Å; L665-I677 HydrophobicContact CD1-CD1 4.11Å; L665-I677 HydrophobicContact CD1-CG1 4.16Å; L665-I677 HydrophobicContact CD1-CG2 3.71Å; L665-L702 HydrophobicContact CD2-CD2 4.28Å; L665-F712 HydrophobicContact CD1-CE1 4.06Å; L665-F712 HydrophobicContact CD2-CE1 4.07Å; L665-F712 HydrophobicContact CD2-CZ 4.17Å; L665-F712 HydrophobicContact CG-CE1 3.89Å; L665-F712 HydrophobicContact CG-CZ 3.89Å
666T88.7Confident75.9Confident0 Ų063.7 Ų63.70%031%0.309CS..Hα-helixtrans-63.8-42.4-175.249.10000112.8L649 V650 G663 R670 L702 D704 V710L649-T666 PolarHBondContact O-N 2.84Å; V650-T666 HydrophobicContact CG1-CG2 4.25Å; G663-T666 WeakPolarHBondContact CA-OG1 3.47Å; G663-T666 PolarHBondContact N-OG1 3.16Å; G663-T666 PolarHBondContact O-N 3.22Å; G663-T666 PolarHBondContact O-OG1 3.43Å; T666-R670 WeakPolarHBondContact O-CB 3.07Å; T666-R670 PolarHBondContact O-N 3.23Å; T666-L702 HydrophobicContact CG2-CB 4.49Å; T666-L702 HydrophobicContact CG2-CD2 3.68Å; T666-L702 HydrophobicContact CG2-CG 4.06Å; T666-D704 HydrophobicContact CG2-CB 4.09Å; T666-V710 HydrophobicContact CG2-CG2 4.31Å
667E84.7Confident77.6Confident33 Ų3356.4 Ų56.415%0.15428%0.281CS..Hα-helixtrans-75.3-36.1179.4-78.3-70128.200112.3G662 G663 L665 R670 R671G662-E667 VanDerWaalsContact CA-CG 3.45Å; G663-E667 VanDerWaalsContact O-CB 3.31Å; G663-E667 WeakPolarHBondContact O-CB 3.25Å; G663-E667 PolarHBondContact O-N 3.48Å; L665-E667 PolarHBondContact O-N 3.27Å; E667-R670 PolarHBondContact O-N 2.91Å; E667-R670 IonicContact OE1-NH1 3Å; E667-R670 PolarHBondContact OE1-NH1 2.86Å; E667-R670 VanDerWaalsContact OE1-NH1 3.1Å; E667-R671 WeakPolarHBondContact O-CB 3.08Å; E667-R671 VanDerWaalsContact O-CG 3.29Å; E667-R671 WeakPolarHBondContact O-CG 3.39Å; E667-R671 PolarHBondContact O-N 3.35Å; E667-R671 IonicContact OE2-NE 3.71Å
668A85.5Confident79.9Confident29 Ų2949 Ų4924%0.2424%0.236CC..Hα-helixtrans-62.7-45.9176.500000111V633 Q664 L665 R671 N672V633-A668 HydrophobicContact CG1-CB 4.04Å; V633-A668 HydrophobicContact CG2-CB 3.61Å; Q664-A668 WeakPolarHBondContact O-CB 3.32Å; L665-A668 PolarHBondContact O-N 2.76Å; A668-R671 PolarHBondContact O-N 3.4Å; A668-N672 PolarHBondContact O-N 2.9Å
669V87.8Confident81.9Confident0 Ų047.8 Ų47.80%022%0.223CC..Hα-helixtrans-72.3-34.7177.2178.20000111.5L665 R671 N672 P673 T675 I677 V710 D711 F712 T715L665-V669 HydrophobicContact CD1-CG2 4.21Å; L665-V669 WeakPolarHBondContact O-CB 3.35Å; L665-V669 WeakPolarHBondContact O-CG2 3.26Å; L665-V669 PolarHBondContact O-N 3.48Å; V669-R671 VanDerWaalsContact C-N 3.33Å; V669-R671 PolarHBondContact O-N 3.29Å; V669-N672 CarbonylContact O-C 3.6Å; V669-N672 PolarHBondContact O-N 3.45Å; V669-P673 WeakPolarHBondContact O-CA 3.44Å; V669-P673 WeakPolarHBondContact O-CD 3.47Å; V669-P673 WeakPolarHBondContact O-CG 3.27Å; V669-T675 HydrophobicContact CG2-CG2 4.02Å; V669-I677 HydrophobicContact CG2-CD1 3.89Å; V669-I677 HydrophobicContact CG2-CG1 4.14Å; V669-V710 HydrophobicContact CB-CG1 4.14Å; V669-V710 HydrophobicContact CG1-CG1 3.99Å; V669-D711 VanDerWaalsContact CG1-O 3.25Å; V669-D711 WeakPolarHBondContact CG1-O 3.26Å; V669-F712 HydrophobicContact CB-CE1 4.1Å; V669-F712 HydrophobicContact CB-CE2 4.39Å; V669-F712 HydrophobicContact CB-CZ 3.96Å; V669-F712 HydrophobicContact CG1-CD1 4.09Å; V669-F712 HydrophobicContact CG1-CD2 4.2Å; V669-F712 HydrophobicContact CG1-CE1 4.06Å; V669-F712 HydrophobicContact CG1-CE2 4.13Å; V669-F712 HydrophobicContact CG1-CG 4.15Å; V669-F712 HydrophobicContact CG1-CZ 4.07Å; V669-F712 HydrophobicContact CG2-CD1 4.22Å; V669-F712 HydrophobicContact CG2-CE1 3.61Å; V669-F712 HydrophobicContact CG2-CZ 3.9Å; V669-T715 HydrophobicContact CG1-CG2 3.75Å; V669-T715 HydrophobicContact CG2-CG2 4.43Å
670R82.5Confident83.8Confident99 Ų9944.8 Ų44.837%0.37421%0.212SC..Hα-helixtrans-64.8-37.5175.6-177.1174.7176.3-128.2-8.7112.6T666 E667 V710T666-R670 WeakPolarHBondContact O-CB 3.07Å; T666-R670 PolarHBondContact O-N 3.23Å; E667-R670 PolarHBondContact O-N 2.91Å; E667-R670 IonicContact OE1-NH1 3Å; E667-R670 PolarHBondContact OE1-NH1 2.86Å; E667-R670 VanDerWaalsContact OE1-NH1 3.1Å; R670-V710 HydrophobicContact CB-CG1 4.05Å; R670-V710 HydrophobicContact CB-CG2 4.19Å
671R78.4Confident85.7Confident189 Ų18938.2 Ų38.271%0.71318%0.181SC*.Hα-helixtrans-72.5-39.3174.9-71177.3-174.5-161.7-0.4111.5E667 A668 V669E667-R671 WeakPolarHBondContact O-CB 3.08Å; E667-R671 VanDerWaalsContact O-CG 3.29Å; E667-R671 WeakPolarHBondContact O-CG 3.39Å; E667-R671 PolarHBondContact O-N 3.35Å; E667-R671 IonicContact OE2-NE 3.71Å; A668-R671 PolarHBondContact O-N 3.4Å; V669-R671 VanDerWaalsContact C-N 3.33Å; V669-R671 PolarHBondContact O-N 3.29Å
672N79.3Confident87.4Confident76 Ų7631 Ų3141%0.40615%0.147SC..  trans-130.482.2-179.5-62.7-30.6000110.3A668 V669 Y674 T675A668-N672 PolarHBondContact O-N 2.9Å; V669-N672 CarbonylContact O-C 3.6Å; V669-N672 PolarHBondContact O-N 3.45Å; N672-Y674 PolarHBondContact O-N 3.12Å; N672-Y674 VanDerWaalsContact O-N 3.09Å; N672-T675 VanDerWaalsContact O-CG2 3.24Å; N672-T675 WeakPolarHBondContact O-CG2 3.49Å
673P79.6Confident88.7Confident27 Ų2731.6 Ų31.618%0.17515%0.145CC..SBendtrans-63.5-17.9-178.1-23.633.8000113.7V669 N714 T715V669-P673 WeakPolarHBondContact O-CA 3.44Å; V669-P673 WeakPolarHBondContact O-CD 3.47Å; V669-P673 WeakPolarHBondContact O-CG 3.27Å; P673-N714 CarbonylContact O-C 3.37Å; P673-T715 VanDerWaalsContact O-CG2 3.28Å; P673-T715 WeakPolarHBondContact O-CG2 3.32Å
674Y81.8Confident89.3Confident17 Ų1735.5 Ų35.57%0.06716%0.162CC..SBendtrans-104.283.8180-66.3-101000108.2Y382 I549 F626 N672 N714Y382-Y674 HydrophobicContact CD1-CE1 4.44Å; Y382-Y674 HydrophobicContact CD1-CE2 4.38Å; Y382-Y674 AromaticContact CD1-CZ 3.71Å; Y382-Y674 WeakPolarHBondContact CD1-OH 3.27Å; Y382-Y674 HydrophobicContact CE1-CE1 4.29Å; Y382-Y674 AromaticContact CE1-CZ 3.95Å; Y382-Y674 WeakPolarHBondContact CE1-OH 3.36Å; I549-Y674 HydrophobicContact CD1-CD1 3.98Å; I549-Y674 HydrophobicContact CD1-CD2 3.1Å; I549-Y674 HydrophobicContact CD1-CE1 3.83Å; I549-Y674 HydrophobicContact CD1-CE2 2.97Å; I549-Y674 HydrophobicContact CD1-CG 3.65Å; I549-Y674 HydrophobicContact CG1-CD1 4.04Å; I549-Y674 HydrophobicContact CG1-CD2 3.64Å; I549-Y674 HydrophobicContact CG1-CE1 4.3Å; I549-Y674 HydrophobicContact CG1-CE2 3.99Å; I549-Y674 HydrophobicContact CG1-CG 3.7Å; I549-Y674 HydrophobicContact CG2-CD1 4.21Å; I549-Y674 HydrophobicContact CG2-CE1 4.15Å; F626-Y674 HydrophobicContact CE1-CD1 4.24Å; N672-Y674 PolarHBondContact O-N 3.12Å; N672-Y674 VanDerWaalsContact O-N 3.09Å; Y674-N714 HydrophobicContact CD1-CB 3.66Å; Y674-N714 HydrophobicContact CD2-CB 4.16Å; Y674-N714 HydrophobicContact CE1-CB 3.4Å; Y674-N714 WeakPolarHBondContact CE1-OD1 3.29Å; Y674-N714 HydrophobicContact CE2-CB 3.88Å; Y674-N714 HydrophobicContact CG-CB 4.03Å; Y674-N714 VanDerWaalsContact CZ-CB 3.5Å; Y674-N714 PolarHBondContact OH-ND2 2.93Å; Y674-N714 PolarHBondContact OH-OD1 2.72Å
675T88.6Confident89.8Confident2 Ų231.2 Ų31.21%0.01214%0.144CC..  trans-150155-175.2-170.30000111.1H631 M632 V633 V669 N672 I677 T715 V716H631-T675 WeakPolarHBondContact O-CA 3.13Å; H631-T675 PolarHBondContact O-OG1 3Å; M632-T675 PolarHBondContact N-OG1 3.41Å; V633-T675 HydrophobicContact CG2-CG2 4Å; V669-T675 HydrophobicContact CG2-CG2 4.02Å; N672-T675 VanDerWaalsContact O-CG2 3.24Å; N672-T675 WeakPolarHBondContact O-CG2 3.49Å; T675-I677 HydrophobicContact CG2-CG1 4.34Å; T675-T715 HydrophobicContact CG2-CG2 4.16Å; T675-T715 VanDerWaalsContact O-CA 3.26Å; T675-T715 WeakPolarHBondContact O-CA 3.48Å; T675-T715 WeakPolarHBondContact O-CB 3.4Å; T675-V716 PolarHBondContact O-N 3.38Å; T675-V716 VanDerWaalsContact O-N 3.14Å
676I93.6Very high89.9Confident0 Ų033 Ų330%015%0.152CC..EExtended strand (participates in β ladder)trans-87.5126.6168.5-57.9-165.2000108.9A618 L621 A622 F626 H631 M632 V633 V716 I718A618-I676 HydrophobicContact CB-CG2 4.42Å; A618-I676 VanDerWaalsContact O-CD1 3.28Å; A618-I676 WeakPolarHBondContact O-CD1 3.47Å; L621-I676 HydrophobicContact CB-CD1 3.61Å; L621-I676 HydrophobicContact CD2-CD1 3.75Å; L621-I676 HydrophobicContact CG-CD1 3.72Å; A622-I676 HydrophobicContact CB-CD1 3.77Å; A622-I676 HydrophobicContact CB-CG1 4.13Å; F626-I676 HydrophobicContact CD2-CG1 4.23Å; F626-I676 HydrophobicContact CE2-CG1 3.76Å; H631-I676 PolarHBondContact O-N 2.94Å; M632-I676 CarbonylContact C-O 3.58Å; M632-I676 WeakPolarHBondContact CA-O 3.38Å; M632-I676 HydrophobicContact CB-CB 4.34Å; M632-I676 HydrophobicContact CG-CB 4.12Å; M632-I676 HydrophobicContact CG-CG2 4.22Å; V633-I676 PolarHBondContact N-O 3.44Å; I676-V716 CarbonylContact C-O 3.56Å; I676-V716 WeakPolarHBondContact CA-O 3.42Å; I676-V716 HydrophobicContact CG1-CB 4.21Å; I676-I718 HydrophobicContact CG2-CD1 3.75Å; I676-I718 HydrophobicContact CG2-CG1 4.15Å
677I96.1Very high90.1Very high1 Ų137 Ų371%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-98.9110.5173.5-58.9159.7000107.4V633 L665 V669 T675 L679 F712 T715 V716 L717 I718V633-I677 CarbonylContact O-C 3.28Å; V633-I677 WeakPolarHBondContact O-CA 3.41Å; L665-I677 HydrophobicContact CD1-CD1 4.11Å; L665-I677 HydrophobicContact CD1-CG1 4.16Å; L665-I677 HydrophobicContact CD1-CG2 3.71Å; V669-I677 HydrophobicContact CG2-CD1 3.89Å; V669-I677 HydrophobicContact CG2-CG1 4.14Å; T675-I677 HydrophobicContact CG2-CG1 4.34Å; I677-L679 HydrophobicContact CG2-CD2 3.88Å; I677-L679 HydrophobicContact CG2-CG 4.17Å; I677-F712 HydrophobicContact CD1-CD1 3.44Å; I677-F712 VanDerWaalsContact CD1-CD1 3.44Å; I677-F712 HydrophobicContact CD1-CE1 3.49Å; I677-F712 VanDerWaalsContact CD1-CE1 3.49Å; I677-T715 HydrophobicContact CD1-CG2 3.94Å; I677-V716 PolarHBondContact N-O 2.87Å; I677-L717 HydrophobicContact CB-CD1 3.69Å; I677-L717 HydrophobicContact CD1-CD1 4.46Å; I677-L717 HydrophobicContact CG2-CD1 3.56Å; I677-I718 PolarHBondContact O-N 3.44Å
678L97.2Very high90.5Very high0 Ų037.9 Ų37.90%018%0.184CC..EExtended strand (participates in β ladder)trans-103.1108.4178.2-178.564.6000110.6T615 A618 M632 V633 R634 I635 I718 T720T615-L678 HydrophobicContact CG2-CD2 3.81Å; A618-L678 HydrophobicContact CB-CD1 4.22Å; A618-L678 HydrophobicContact CB-CD2 4.29Å; M632-L678 HydrophobicContact CE-CD2 4.5Å; M632-L678 HydrophobicContact CG-CB 4.16Å; M632-L678 HydrophobicContact SD-CB 4Å; M632-L678 HydrophobicContact SD-CD2 3.85Å; V633-L678 PolarHBondContact O-N 2.88Å; R634-L678 CarbonylContact C-O 3.6Å; R634-L678 WeakPolarHBondContact CA-O 3.33Å; R634-L678 HydrophobicContact CG-CB 4.47Å; R634-L678 HydrophobicContact CG-CD2 4.1Å; R634-L678 HydrophobicContact CG-CG 4.41Å; I635-L678 PolarHBondContact N-O 2.64Å; L678-I718 CarbonylContact C-O 3.59Å; L678-I718 WeakPolarHBondContact CA-O 3.49Å; L678-I718 HydrophobicContact CD1-CB 3.91Å; L678-I718 HydrophobicContact CD1-CG2 3.56Å; L678-T720 HydrophobicContact CD1-CG2 3.65Å
679L97.5Very high90.9Very high3 Ų336.5 Ų36.52%0.01617%0.173CC..EExtended strand (participates in β ladder)trans-98.9102.4174.9-52.4179.4000109.5I635 M637 I677 I682 L693 L717 I718 M719 T720I635-L679 HydrophobicContact CB-CD2 3.95Å; I635-L679 HydrophobicContact CD1-CD2 4.16Å; I635-L679 HydrophobicContact CG1-CD2 4.27Å; I635-L679 WeakPolarHBondContact O-CA 3.47Å; M637-L679 HydrophobicContact CE-CB 4.46Å; M637-L679 HydrophobicContact CE-CD2 3.84Å; M637-L679 HydrophobicContact CG-CB 4.23Å; M637-L679 HydrophobicContact SD-CB 4.43Å; M637-L679 HydrophobicContact SD-CD2 4.49Å; I677-L679 HydrophobicContact CG2-CD2 3.88Å; I677-L679 HydrophobicContact CG2-CG 4.17Å; L679-I682 HydrophobicContact CB-CD1 4.18Å; L679-I682 HydrophobicContact CD1-CD1 4.12Å; L679-L693 HydrophobicContact CD1-CD1 3.64Å; L679-L693 HydrophobicContact CD1-CD2 3.53Å; L679-L693 HydrophobicContact CD1-CG 4.23Å; L679-L717 HydrophobicContact CD1-CD1 3.93Å; L679-L717 HydrophobicContact CG-CD1 4.19Å; L679-I718 PolarHBondContact N-O 3.28Å; L679-M719 HydrophobicContact CB-CG 4.05Å; L679-M719 HydrophobicContact CD1-CG 3.97Å; L679-M719 HydrophobicContact CG-CG 4.37Å; L679-M719 CarbonylContact O-C 3.59Å; L679-M719 WeakPolarHBondContact O-CA 3.48Å; L679-T720 PolarHBondContact O-N 2.89Å
680D95.8Very high91.2Very high16 Ų1638 Ų389%0.08618%0.179CC..EExtended strand (participates in β ladder)trans-83.6138.5-176.6-142.10.9000110.5R634 I635 M637 T720R634-D680 IonicContact CZ-OD2 3.7Å; R634-D680 IonicContact NE-OD2 2.83Å; R634-D680 IonicContact NH2-OD2 2.68Å; R634-D680 PolarHBondContact NH2-OD2 3.35Å; I635-D680 PolarHBondContact O-N 3.33Å; M637-D680 VanDerWaalsContact CB-O 3.24Å; M637-D680 WeakPolarHBondContact CB-O 3.34Å; M637-D680 WeakPolarHBondContact CG-O 3.49Å; M637-D680 PolarHBondContact N-O 2.91Å; D680-T720 WeakPolarHBondContact CA-OG1 3.48Å; D680-T720 PolarHBondContact OD1-OG1 2.92Å
681E95.3Very high91.6Very high37 Ų3737.9 Ų37.917%0.17319%0.186CC..THydrogen-bonded Turntrans5747179.2-54-166.9119.900114.7M637 S638 E683 K684 T720 N722M637-E681 WeakPolarHBondContact CB-O 3.44Å; S638-E681 PolarHBondContact OG-OE2 2.6Å; E681-E683 VanDerWaalsContact C-OE2 3.3Å; E681-E683 PolarHBondContact O-N 2.9Å; E681-K684 HydrophobicContact CB-CD 4.09Å; E681-K684 HydrophobicContact CB-CG 4.46Å; E681-K684 WeakPolarHBondContact O-CB 3.27Å; E681-K684 PolarHBondContact O-N 2.92Å; E681-K684 IonicContact OE1-NZ 3.53Å; E681-K684 PolarHBondContact OE1-NZ 3.45Å; E681-K684 WeakPolarHBondContact OE2-CE 3.45Å; E681-K684 IonicContact OE2-NZ 3.72Å; E681-K684 PolarHBondContact OE2-NZ 3.02Å; E681-T720 WeakPolarHBondContact CA-O 3.4Å; E681-T720 PolarHBondContact N-O 2.83Å; E681-T720 VanDerWaalsContact N-O 3.14Å; E681-T720 PolarHBondContact N-OG1 2.99Å; E681-T720 VanDerWaalsContact N-OG1 3.16Å; E681-N722 PolarHBondContact OE1-ND2 3.47Å
682I96.1Very high92.2Very high0 Ų030 Ų300%016%0.158CC..G310 helixtrans-55.1-23-174.2-165.561.1000114.8L605 M637 L679 K684 A685 F690 L693 M719 T720 F754L605-I682 HydrophobicContact CD1-CG2 3.78Å; M637-I682 HydrophobicContact CG-CD1 3.83Å; M637-I682 HydrophobicContact SD-CD1 3.96Å; L679-I682 HydrophobicContact CB-CD1 4.18Å; L679-I682 HydrophobicContact CD1-CD1 4.12Å; I682-K684 PolarHBondContact O-N 3.46Å; I682-A685 HydrophobicContact CD1-CB 4.15Å; I682-A685 WeakPolarHBondContact O-CB 3.39Å; I682-A685 PolarHBondContact O-N 2.86Å; I682-F690 HydrophobicContact CD1-CE1 4.31Å; I682-F690 HydrophobicContact CG1-CE1 4.01Å; I682-F690 WeakPolarHBondContact O-CZ 3.28Å; I682-L693 HydrophobicContact CD1-CD1 3.89Å; I682-M719 HydrophobicContact CB-CB 4.22Å; I682-M719 HydrophobicContact CD1-CG 4.42Å; I682-M719 HydrophobicContact CG1-CB 4.31Å; I682-M719 HydrophobicContact CG1-CG 4.2Å; I682-M719 HydrophobicContact CG1-SD 4.22Å; I682-M719 HydrophobicContact CG2-CB 4.17Å; I682-T720 WeakPolarHBondContact CG2-O 3.33Å; I682-T720 PolarHBondContact N-O 3.26Å; I682-F754 HydrophobicContact CG2-CE1 4.3Å; I682-F754 HydrophobicContact CG2-CZ 3.77Å
683E94.6Very high92.9Very high32 Ų3226.6 Ų26.615%0.1514%0.139CC..G310 helixtrans-62.9-23.517367.6-87.1-154.300114E681 S721 N722 I723 H753 F754E681-E683 VanDerWaalsContact C-OE2 3.3Å; E681-E683 PolarHBondContact O-N 2.9Å; E683-S721 WeakPolarHBondContact OE2-CA 3.47Å; E683-S721 WeakPolarHBondContact OE2-CB 3.45Å; E683-S721 PolarHBondContact OE2-OG 3.14Å; E683-N722 PolarHBondContact OE1-N 3.32Å; E683-I723 HydrophobicContact CB-CD1 3.66Å; E683-I723 HydrophobicContact CB-CG1 4.07Å; E683-I723 HydrophobicContact CG-CD1 4.41Å; E683-I723 HydrophobicContact CG-CG1 4.27Å; E683-H753 VanDerWaalsContact CA-CE1 3.46Å; E683-H753 WeakPolarHBondContact CA-CE1 2.9Å; E683-H753 PolarHBondContact O-CE1 2.84Å; E683-H753 PolarHBondContact O-NE2 2.85Å; E683-F754 HydrophobicContact CB-CZ 4.12Å
684K95.4Very high93.6Very high82 Ų8226.3 Ų26.336%0.35714%0.136SC..G310 helixtrans-86.2-11.8179.3-63.6178.5-178.5172.70112.9S638 M641 E681 I682S638-K684 WeakPolarHBondContact OG-CD 3.42Å; S638-K684 PolarHBondContact OG-NZ 3.44Å; M641-K684 HydrophobicContact CG-CB 4.28Å; M641-K684 VanDerWaalsContact CG-O 3.28Å; M641-K684 WeakPolarHBondContact CG-O 3.28Å; E681-K684 HydrophobicContact CB-CD 4.09Å; E681-K684 HydrophobicContact CB-CG 4.46Å; E681-K684 WeakPolarHBondContact O-CB 3.27Å; E681-K684 PolarHBondContact O-N 2.92Å; E681-K684 IonicContact OE1-NZ 3.53Å; E681-K684 PolarHBondContact OE1-NZ 3.45Å; E681-K684 WeakPolarHBondContact OE2-CE 3.45Å; E681-K684 IonicContact OE2-NZ 3.72Å; E681-K684 PolarHBondContact OE2-NZ 3.02Å; I682-K684 PolarHBondContact O-N 3.46Å
685A95.4Very high94Very high9 Ų928.7 Ų28.77%0.07415%0.148CC..SBendtrans-61.5143.3-176.700000112.2M637 I682 V689 F690M637-A685 HydrophobicContact CB-CB 3.97Å; M637-A685 HydrophobicContact CG-CB 4.15Å; M637-A685 HydrophobicContact SD-CB 3.9Å; I682-A685 HydrophobicContact CD1-CB 4.15Å; I682-A685 WeakPolarHBondContact O-CB 3.39Å; I682-A685 PolarHBondContact O-N 2.86Å; A685-V689 HydrophobicContact CB-CB 4.06Å; A685-V689 HydrophobicContact CB-CG1 4.21Å; A685-V689 HydrophobicContact CB-CG2 4.21Å; A685-F690 HydrophobicContact CB-CE2 4.12Å; A685-F690 HydrophobicContact CB-CZ 4.01Å
686H94.7Very high94.2Very high40 Ų4028.6 Ų28.619%0.18515%0.148CC..  trans-62.1145.6171.2-175.8-92.3000111.1Y640 M641 V646 D688 V689Y640-H686 WeakPolarHBondContact O-CB 3.39Å; Y640-H686 PolarHBondContact O-N 2.94Å; M641-H686 PolarHBondContact O-CD2 3.36Å; V646-H686 HydrophobicContact CG2-CB 3.78Å; H686-D688 VanDerWaalsContact CE1-CG 3.45Å; H686-D688 IonicContact CE1-OD1 2.94Å; H686-D688 IonicContact CE1-OD2 2.72Å; H686-D688 PolarHBondContact CE1-OD2 2.81Å; H686-D688 WeakPolarHBondContact ND1-CB 3.4Å; H686-D688 PolarHBondContact ND1-N 3.49Å; H686-D688 VanDerWaalsContact ND1-N 3.12Å; H686-D688 IonicContact ND1-OD2 3.38Å; H686-D688 PolarHBondContact O-N 2.98Å; H686-V689 HydrophobicContact CB-CG2 4.39Å; H686-V689 VanDerWaalsContact O-CB 3.3Å; H686-V689 WeakPolarHBondContact O-CB 3.27Å; H686-V689 WeakPolarHBondContact O-CG2 3.24Å; H686-V689 PolarHBondContact O-N 2.9Å
687P92.7Very high94.2Very high86 Ų8628.6 Ų28.656%0.55815%0.148SC*.Hα-helixtrans-48.7-34.9178.7-33.537.8000115.7V689 F690P687-V689 VanDerWaalsContact C-N 3.26Å; P687-V689 PolarHBondContact O-N 2.91Å; P687-F690 PolarHBondContact O-N 3.38Å
688D92.3Very high94Very high50 Ų5030.6 Ų30.627%0.26716%0.158SC..Hα-helixtrans-67.9-22.8179.2-66.9-10.7000113.3K643 V646 H686 F690 N691 I692K643-D688 VanDerWaalsContact CE-OD2 3.27Å; K643-D688 WeakPolarHBondContact CE-OD2 3.39Å; K643-D688 IonicContact NZ-OD2 3.55Å; V646-D688 HydrophobicContact CG1-CB 4.15Å; V646-D688 HydrophobicContact CG2-CB 4.42Å; H686-D688 VanDerWaalsContact CE1-CG 3.45Å; H686-D688 IonicContact CE1-OD1 2.94Å; H686-D688 IonicContact CE1-OD2 2.72Å; H686-D688 PolarHBondContact CE1-OD2 2.81Å; H686-D688 WeakPolarHBondContact ND1-CB 3.4Å; H686-D688 PolarHBondContact ND1-N 3.49Å; H686-D688 VanDerWaalsContact ND1-N 3.12Å; H686-D688 IonicContact ND1-OD2 3.38Å; H686-D688 PolarHBondContact O-N 2.98Å; D688-F690 VanDerWaalsContact C-N 3.32Å; D688-N691 PolarHBondContact O-N 2.96Å; D688-I692 PolarHBondContact O-N 3.36Å
689V94.3Very high93.5Very high1 Ų133.7 Ų33.71%0.00618%0.175CC..Hα-helixtrans-63.1-41.5173.1178.80000110.1M637 V646 L649 A685 H686 P687 N691 I692 L693M637-V689 HydrophobicContact SD-CG1 4.05Å; V646-V689 HydrophobicContact CB-CG2 4.43Å; V646-V689 HydrophobicContact CG1-CG2 4.02Å; V646-V689 HydrophobicContact CG2-CG2 3.75Å; L649-V689 HydrophobicContact CD1-CG1 4.1Å; L649-V689 HydrophobicContact CD1-CG2 4.28Å; A685-V689 HydrophobicContact CB-CB 4.06Å; A685-V689 HydrophobicContact CB-CG1 4.21Å; A685-V689 HydrophobicContact CB-CG2 4.21Å; H686-V689 HydrophobicContact CB-CG2 4.39Å; H686-V689 VanDerWaalsContact O-CB 3.3Å; H686-V689 WeakPolarHBondContact O-CB 3.27Å; H686-V689 WeakPolarHBondContact O-CG2 3.24Å; H686-V689 PolarHBondContact O-N 2.9Å; P687-V689 VanDerWaalsContact C-N 3.26Å; P687-V689 PolarHBondContact O-N 2.91Å; V689-N691 VanDerWaalsContact C-N 3.25Å; V689-N691 PolarHBondContact O-N 3.4Å; V689-I692 WeakPolarHBondContact O-CB 3.15Å; V689-I692 PolarHBondContact O-N 3.05Å; V689-I692 VanDerWaalsContact O-N 3.07Å; V689-L693 HydrophobicContact CG1-CD1 4.12Å; V689-L693 HydrophobicContact CG1-CG 4.22Å; V689-L693 WeakPolarHBondContact O-CG 3.26Å; V689-L693 PolarHBondContact O-N 3.49Å
690F94.4Very high93Very high32 Ų3233.6 Ų33.614%0.1417%0.174CC..Hα-helixtrans-64.5-30.7179.5-57.5-81000112.6I682 A685 P687 D688 I692 L693 L694 F754 F758I682-F690 HydrophobicContact CD1-CE1 4.31Å; I682-F690 HydrophobicContact CG1-CE1 4.01Å; I682-F690 WeakPolarHBondContact O-CZ 3.28Å; A685-F690 HydrophobicContact CB-CE2 4.12Å; A685-F690 HydrophobicContact CB-CZ 4.01Å; P687-F690 PolarHBondContact O-N 3.38Å; D688-F690 VanDerWaalsContact C-N 3.32Å; F690-I692 VanDerWaalsContact C-N 3.31Å; F690-L693 PolarHBondContact O-N 3.19Å; F690-L694 WeakPolarHBondContact O-CB 3.34Å; F690-L694 VanDerWaalsContact O-CG 3.28Å; F690-L694 WeakPolarHBondContact O-CG 3.44Å; F690-L694 PolarHBondContact O-N 2.99Å; F690-F754 AromaticContact CE1-CD1 3.71Å; F690-F754 HydrophobicContact CE1-CD1 3.71Å; F690-F754 AromaticContact CE1-CE1 3.55Å; F690-F754 HydrophobicContact CE1-CE1 3.55Å; F690-F754 HydrophobicContact CZ-CD1 4.01Å; F690-F754 AromaticContact CZ-CE1 3.67Å; F690-F754 HydrophobicContact CZ-CE1 3.67Å; F690-F758 HydrophobicContact CB-CD2 4.48Å; F690-F758 HydrophobicContact CD1-CD1 4.08Å; F690-F758 AromaticContact CD1-CD2 3.95Å; F690-F758 HydrophobicContact CD1-CD2 3.95Å; F690-F758 AromaticContact CD1-CE1 3.88Å; F690-F758 HydrophobicContact CD1-CE1 3.88Å; F690-F758 AromaticContact CD1-CE2 3.77Å; F690-F758 HydrophobicContact CD1-CE2 3.77Å; F690-F758 HydrophobicContact CD1-CG 4.08Å; F690-F758 AromaticContact CD1-CZ 3.7Å; F690-F758 HydrophobicContact CD1-CZ 3.7Å; F690-F758 HydrophobicContact CE1-CD1 4.37Å; F690-F758 AromaticContact CE1-CE1 3.94Å; F690-F758 HydrophobicContact CE1-CE1 3.94Å; F690-F758 HydrophobicContact CE1-CZ 4Å
691N90.1Very high92.7Very high95 Ų9537.9 Ų37.951%0.50819%0.189SC..Hα-helixtrans-65-39.2174.6-61.6-30.5000111.2D688 V689 Q695D688-N691 PolarHBondContact O-N 2.96Å; V689-N691 VanDerWaalsContact C-N 3.25Å; V689-N691 PolarHBondContact O-N 3.4Å; N691-Q695 PolarHBondContact O-N 3.46Å
692I91.7Very high92.5Very high25 Ų2536.2 Ų36.213%0.12818%0.182CC..Hα-helixtrans-64.8-46.9173.9-68.7164.8000110V646 V650 D688 V689 F690 L694 Q695 V696 L702V646-I692 HydrophobicContact CG1-CD1 3.53Å; V650-I692 HydrophobicContact CG2-CD1 3.68Å; V650-I692 HydrophobicContact CG2-CG1 4.26Å; V650-I692 HydrophobicContact CG2-CG2 4.37Å; D688-I692 PolarHBondContact O-N 3.36Å; V689-I692 WeakPolarHBondContact O-CB 3.15Å; V689-I692 PolarHBondContact O-N 3.05Å; V689-I692 VanDerWaalsContact O-N 3.07Å; F690-I692 VanDerWaalsContact C-N 3.31Å; I692-L694 VanDerWaalsContact C-N 3.33Å; I692-L694 PolarHBondContact O-N 3.19Å; I692-Q695 WeakPolarHBondContact O-CB 3.41Å; I692-Q695 PolarHBondContact O-N 3.14Å; I692-V696 PolarHBondContact O-N 3.45Å; I692-L702 HydrophobicContact CG2-CD1 3.77Å; I692-L702 HydrophobicContact CG2-CD2 3.6Å; I692-L702 HydrophobicContact CG2-CG 4.36Å
693L94.6Very high91.9Very high3 Ų339 Ų392%0.01620%0.198CC..Hα-helixtrans-65-35.6-179.9-62.2-179.8000112.6L679 I682 V689 F690 Q695 V696 L697 L717 M719 F758L679-L693 HydrophobicContact CD1-CD1 3.64Å; L679-L693 HydrophobicContact CD1-CD2 3.53Å; L679-L693 HydrophobicContact CD1-CG 4.23Å; I682-L693 HydrophobicContact CD1-CD1 3.89Å; V689-L693 HydrophobicContact CG1-CD1 4.12Å; V689-L693 HydrophobicContact CG1-CG 4.22Å; V689-L693 WeakPolarHBondContact O-CG 3.26Å; V689-L693 PolarHBondContact O-N 3.49Å; F690-L693 PolarHBondContact O-N 3.19Å; L693-Q695 VanDerWaalsContact C-N 3.3Å; L693-Q695 PolarHBondContact O-N 3.5Å; L693-V696 PolarHBondContact O-N 3.04Å; L693-L697 WeakPolarHBondContact O-CB 3.42Å; L693-L697 WeakPolarHBondContact O-CG 3.44Å; L693-L697 PolarHBondContact O-N 3.36Å; L693-L717 HydrophobicContact CD2-CD2 4.49Å; L693-M719 HydrophobicContact CD1-SD 4.22Å; L693-F758 HydrophobicContact CB-CE2 4.09Å; L693-F758 HydrophobicContact CD1-CE2 4.14Å; L693-F758 HydrophobicContact CD1-CZ 4.3Å
694L92.6Very high91.5Very high22 Ų2237.8 Ų37.812%0.11519%0.193CC..Hα-helixtrans-59.4-42173.6-79.2170.9000111.4F690 I692 V696 L697 D698 E757 F758 R761F690-L694 WeakPolarHBondContact O-CB 3.34Å; F690-L694 VanDerWaalsContact O-CG 3.28Å; F690-L694 WeakPolarHBondContact O-CG 3.44Å; F690-L694 PolarHBondContact O-N 2.99Å; I692-L694 VanDerWaalsContact C-N 3.33Å; I692-L694 PolarHBondContact O-N 3.19Å; L694-V696 VanDerWaalsContact C-N 3.31Å; L694-V696 PolarHBondContact O-N 3.32Å; L694-L697 PolarHBondContact O-N 3.29Å; L694-D698 VanDerWaalsContact O-CB 3.24Å; L694-D698 WeakPolarHBondContact O-CB 3.47Å; L694-D698 PolarHBondContact O-N 2.87Å; L694-E757 HydrophobicContact CD1-CG 4.42Å; L694-E757 HydrophobicContact CD2-CG 4.44Å; L694-F758 HydrophobicContact CD2-CD2 4.49Å; L694-R761 HydrophobicContact CD2-CB 4.44Å; L694-R761 HydrophobicContact CD2-CG 3.76Å
695Q90.6Very high90.7Very high66 Ų6635.7 Ų35.731%0.30819%0.188SC..Hα-helixtrans-61.8-41.3175.9-166.1-176.9-20.900111.6N691 I692 L693 D699 R701 L702N691-Q695 PolarHBondContact O-N 3.46Å; I692-Q695 WeakPolarHBondContact O-CB 3.41Å; I692-Q695 PolarHBondContact O-N 3.14Å; L693-Q695 VanDerWaalsContact C-N 3.3Å; L693-Q695 PolarHBondContact O-N 3.5Å; Q695-D699 WeakPolarHBondContact O-CB 3.46Å; Q695-D699 PolarHBondContact O-N 3.2Å; Q695-R701 CarbonylContact C-O 3.48Å; Q695-R701 WeakPolarHBondContact CG-O 3.3Å; Q695-L702 HydrophobicContact CB-CD1 4.45Å
696V94Very high89.7Confident1 Ų138 Ų381%0.00620%0.197CC..Hα-helixtrans-67.1-43.7176.7173.90000111.7P600 I692 L693 L694 G700 L702 F712P600-V696 WeakPolarHBondContact CD-O 3.22Å; P600-V696 HydrophobicContact CG-CG1 4.14Å; I692-V696 PolarHBondContact O-N 3.45Å; L693-V696 PolarHBondContact O-N 3.04Å; L694-V696 VanDerWaalsContact C-N 3.31Å; L694-V696 PolarHBondContact O-N 3.32Å; V696-G700 WeakPolarHBondContact O-CA 3.42Å; V696-G700 PolarHBondContact O-N 3.33Å; V696-L702 HydrophobicContact CG2-CB 4.09Å; V696-L702 HydrophobicContact CG2-CD2 4.32Å; V696-F712 HydrophobicContact CG1-CB 3.77Å; V696-F712 HydrophobicContact CG1-CD1 3.6Å; V696-F712 HydrophobicContact CG1-CE1 4.37Å; V696-F712 HydrophobicContact CG1-CG 3.79Å; V696-F712 HydrophobicContact CG2-CD1 4.11Å; V696-F712 HydrophobicContact CG2-CD2 4.36Å; V696-F712 HydrophobicContact CG2-CE1 4.21Å; V696-F712 HydrophobicContact CG2-CE2 4.49Å; V696-F712 HydrophobicContact CG2-CG 4.19Å; V696-F712 HydrophobicContact CG2-CZ 4.43Å
697L93.8Very high88.7Confident0 Ų038.9 Ų38.90%022%0.216CC..Hα-helixtrans-70.8-30.8-177.7-73.4168.8000113.3R599 L693 L694 L717 F758 R761R599-L697 WeakPolarHBondContact CG-O 3.29Å; R599-L697 PolarHBondContact NE-O 3.11Å; L693-L697 WeakPolarHBondContact O-CB 3.42Å; L693-L697 WeakPolarHBondContact O-CG 3.44Å; L693-L697 PolarHBondContact O-N 3.36Å; L694-L697 PolarHBondContact O-N 3.29Å; L697-L717 HydrophobicContact CD2-CD2 3.8Å; L697-L717 HydrophobicContact CG-CD2 4.13Å; L697-F758 HydrophobicContact CD1-CD2 4.29Å; L697-F758 HydrophobicContact CD1-CE2 3.96Å; L697-R761 HydrophobicContact CB-CB 4.01Å; L697-R761 HydrophobicContact CD1-CB 4.01Å
698D89.9Confident87.9Confident43 Ų4339.2 Ų39.223%0.2321%0.207CC..Hα-helixtrans-91.5-47-176.6-74.5-5.5000113L694 R761L694-D698 VanDerWaalsContact O-CB 3.24Å; L694-D698 WeakPolarHBondContact O-CB 3.47Å; L694-D698 PolarHBondContact O-N 2.87Å; D698-R761 WeakPolarHBondContact OD1-CD 3.43Å; D698-R761 WeakPolarHBondContact OD1-CG 3.37Å; D698-R761 IonicContact OD1-CZ 3.38Å; D698-R761 IonicContact OD1-NE 3.32Å; D698-R761 PolarHBondContact OD1-NE 3.08Å; D698-R761 IonicContact OD1-NH1 3.9Å; D698-R761 PolarHBondContact OD1-NH1 3.37Å; D698-R761 IonicContact OD1-NH2 3.38Å; D698-R761 IonicContact OD2-CZ 2.73Å; D698-R761 IonicContact OD2-NE 3.2Å; D698-R761 IonicContact OD2-NH1 3.69Å; D698-R761 PolarHBondContact OD2-NH1 3.32Å; D698-R761 IonicContact OD2-NH2 3.4Å; D698-R761 PolarHBondContact OD2-NH2 3.26Å
699D87.4Confident87.4Confident65 Ų6541.8 Ų41.835%0.34822%0.22SC..Hα-helixtrans-107.2-6.9-172.7-75.83.5000113.1N598 Q695 R701N598-D699 CarbonylContact O-C 3.46Å; Q695-D699 WeakPolarHBondContact O-CB 3.46Å; Q695-D699 PolarHBondContact O-N 3.2Å; D699-R701 HydrophobicContact CB-CG 3.71Å; D699-R701 PolarHBondContact O-N 3.38Å; D699-R701 IonicContact OD2-CZ 3.69Å; D699-R701 IonicContact OD2-NE 3.8Å; D699-R701 PolarHBondContact OD2-NE 3.47Å; D699-R701 VanDerWaalsContact OD2-NE 3.08Å; D699-R701 IonicContact OD2-NH2 3.96Å; D699-R701 PolarHBondContact OD2-NH2 2.88Å
700G87.7Confident87Confident0 Ų041.9 Ų41.90%022%0.22CC..SBendtrans62.125.7-177.800000111.9N598 V696 F712 K713N598-G700 WeakPolarHBondContact O-CA 3.39Å; N598-G700 PolarHBondContact O-N 3.04Å; V696-G700 WeakPolarHBondContact O-CA 3.42Å; V696-G700 PolarHBondContact O-N 3.33Å; G700-F712 CarbonylContact O-C 3.56Å; G700-F712 WeakPolarHBondContact O-CA 3.4Å; G700-F712 PolarHBondContact O-N 2.7Å; G700-K713 PolarHBondContact O-N 3.36Å
701R88.9Confident86.6Confident106 Ų10642.2 Ų42.240%0.422%0.223SC..EExtended strand (participates in β ladder)trans-151.5156.6-176.171.4-160178.1172.5-11.6111.6Q695 D699 L709 V710Q695-R701 CarbonylContact C-O 3.48Å; Q695-R701 WeakPolarHBondContact CG-O 3.3Å; D699-R701 HydrophobicContact CB-CG 3.71Å; D699-R701 PolarHBondContact O-N 3.38Å; D699-R701 IonicContact OD2-CZ 3.69Å; D699-R701 IonicContact OD2-NE 3.8Å; D699-R701 PolarHBondContact OD2-NE 3.47Å; D699-R701 VanDerWaalsContact OD2-NE 3.08Å; D699-R701 IonicContact OD2-NH2 3.96Å; D699-R701 PolarHBondContact OD2-NH2 2.88Å; R701-L709 HydrophobicContact CB-CD1 4.05Å; R701-L709 HydrophobicContact CB-CG 4.31Å; R701-L709 HydrophobicContact CG-CD1 3.87Å; R701-V710 CarbonylContact C-O 3.54Å; R701-V710 WeakPolarHBondContact CA-O 3.21Å; R701-V710 WeakPolarHBondContact CB-O 3.22Å
702L91.1Very high86.6Confident3 Ų337.7 Ų37.72%0.01620%0.199CC..EExtended strand (participates in β ladder)trans-138.6138.1174.6-172.958.6000110.1V650 L665 T666 I692 Q695 V696 V710 F712V650-L702 HydrophobicContact CG2-CD2 4.09Å; L665-L702 HydrophobicContact CD2-CD2 4.28Å; T666-L702 HydrophobicContact CG2-CB 4.49Å; T666-L702 HydrophobicContact CG2-CD2 3.68Å; T666-L702 HydrophobicContact CG2-CG 4.06Å; I692-L702 HydrophobicContact CG2-CD1 3.77Å; I692-L702 HydrophobicContact CG2-CD2 3.6Å; I692-L702 HydrophobicContact CG2-CG 4.36Å; Q695-L702 HydrophobicContact CB-CD1 4.45Å; V696-L702 HydrophobicContact CG2-CB 4.09Å; V696-L702 HydrophobicContact CG2-CD2 4.32Å; L702-V710 PolarHBondContact N-O 2.74Å; L702-V710 PolarHBondContact O-N 2.93Å; L702-F712 HydrophobicContact CB-CD2 4.11Å; L702-F712 HydrophobicContact CB-CE2 3.54Å; L702-F712 HydrophobicContact CB-CZ 4.18Å; L702-F712 HydrophobicContact CD2-CE2 4.38Å; L702-F712 HydrophobicContact CD2-CZ 4.21Å
703T84.1Confident86.3Confident57 Ų5739.5 Ų39.535%0.3521%0.206SC..EExtended strand (participates in β ladder)trans-94.4125174.5-51.10000109.4V650 R708V650-T703 WeakPolarHBondContact CG1-O 3.22Å; T703-R708 CarbonylContact C-O 3.58Å; T703-R708 VanDerWaalsContact CA-O 3.3Å; T703-R708 WeakPolarHBondContact CA-O 3.22Å
704D85.9Confident85.7Confident8 Ų840.3 Ų40.34%0.04321%0.21CC..  trans-71.3170.3177.385.3-2.5000112.2V650 T666 K706 G707 R708V650-D704 VanDerWaalsContact CG1-CA 3.49Å; V650-D704 HydrophobicContact CG1-CB 4.46Å; T666-D704 HydrophobicContact CG2-CB 4.09Å; D704-K706 PolarHBondContact O-N 3.19Å; D704-K706 VanDerWaalsContact O-N 3.12Å; D704-K706 WeakPolarHBondContact OD1-CA 3.46Å; D704-K706 WeakPolarHBondContact OD1-CB 3.3Å; D704-K706 PolarHBondContact OD1-N 2.87Å; D704-G707 PolarHBondContact O-N 3.45Å; D704-G707 PolarHBondContact OD1-N 3.32Å; D704-R708 PolarHBondContact N-O 2.87Å; D704-R708 WeakPolarHBondContact OD1-CB 3.41Å; D704-R708 PolarHBondContact OD1-N 3.15Å; D704-R708 VanDerWaalsContact OD2-CD 3.3Å; D704-R708 WeakPolarHBondContact OD2-CD 3.19Å; D704-R708 WeakPolarHBondContact OD2-CG 3.35Å; D704-R708 IonicContact OD2-NE 3.79Å; D704-R708 PolarHBondContact OD2-NE 3.12Å
705S78.5Confident85.5Confident37 Ų3739.2 Ų39.226%0.25921%0.205SC..THydrogen-bonded Turntrans-63.7-13.317753.70000114.4V650 G651 A652V650-S705 PolarHBondContact O-N 3.36Å; V650-S705 PolarHBondContact O-OG 3.11Å; G651-S705 VanDerWaalsContact C-OG 3.26Å; G651-S705 WeakPolarHBondContact CA-OG 3.35Å; G651-S705 VanDerWaalsContact O-CB 3.27Å; G651-S705 WeakPolarHBondContact O-CB 3.39Å; G651-S705 PolarHBondContact O-OG 3.17Å; A652-S705 WeakPolarHBondContact O-CB 3.31Å; A652-S705 PolarHBondContact O-OG 2.69Å
706K73.5Confident85.6Confident59 Ų5936.1 Ų36.126%0.25719%0.19SC..THydrogen-bonded Turntrans-98.30.4177.3-57.4178.8-176.9171.10111.9Y659 E660 D704 R708Y659-K706 HydrophobicContact CE2-CG 4.24Å; Y659-K706 WeakPolarHBondContact O-CE 3.47Å; Y659-K706 PolarHBondContact O-NZ 2.9Å; E660-K706 PolarHBondContact O-NZ 2.67Å; D704-K706 PolarHBondContact O-N 3.19Å; D704-K706 VanDerWaalsContact O-N 3.12Å; D704-K706 WeakPolarHBondContact OD1-CA 3.46Å; D704-K706 WeakPolarHBondContact OD1-CB 3.3Å; D704-K706 PolarHBondContact OD1-N 2.87Å; K706-R708 HydrophobicContact CB-CG 4.42Å
707G73.9Confident85.7Confident57 Ų5736.1 Ų36.159%0.58819%0.19SC*.SBendtrans86.15-179.900000114.7D704D704-G707 PolarHBondContact O-N 3.45Å; D704-G707 PolarHBondContact OD1-N 3.32Å
708R75.9Confident85.9Confident94 Ų9436.1 Ų36.136%0.35519%0.19SC..  trans-76.3133.9177.6-50.6177.7-141.7-146.7-15109.6T703 D704 K706T703-R708 CarbonylContact C-O 3.58Å; T703-R708 VanDerWaalsContact CA-O 3.3Å; T703-R708 WeakPolarHBondContact CA-O 3.22Å; D704-R708 PolarHBondContact N-O 2.87Å; D704-R708 WeakPolarHBondContact OD1-CB 3.41Å; D704-R708 PolarHBondContact OD1-N 3.15Å; D704-R708 VanDerWaalsContact OD2-CD 3.3Å; D704-R708 WeakPolarHBondContact OD2-CD 3.19Å; D704-R708 WeakPolarHBondContact OD2-CG 3.35Å; D704-R708 IonicContact OD2-NE 3.79Å; D704-R708 PolarHBondContact OD2-NE 3.12Å; K706-R708 HydrophobicContact CB-CG 4.42Å
709L82.4Confident86.3Confident104 Ų10434 Ų3455%0.54518%0.179SC..EExtended strand (participates in β ladder)trans-85.8123.8173.2-166.771000109.3R701R701-L709 HydrophobicContact CB-CD1 4.05Å; R701-L709 HydrophobicContact CB-CG 4.31Å; R701-L709 HydrophobicContact CG-CD1 3.87Å
710V86Confident86.7Confident3 Ų331 Ų312%0.01816%0.163CC..EExtended strand (participates in β ladder)trans-107.1132.6175.4-178.90000108.9T666 V669 R670 R701 L702 F712T666-V710 HydrophobicContact CG2-CG2 4.31Å; V669-V710 HydrophobicContact CB-CG1 4.14Å; V669-V710 HydrophobicContact CG1-CG1 3.99Å; R670-V710 HydrophobicContact CB-CG1 4.05Å; R670-V710 HydrophobicContact CB-CG2 4.19Å; R701-V710 CarbonylContact C-O 3.54Å; R701-V710 WeakPolarHBondContact CA-O 3.21Å; R701-V710 WeakPolarHBondContact CB-O 3.22Å; L702-V710 PolarHBondContact N-O 2.74Å; L702-V710 PolarHBondContact O-N 2.93Å; V710-F712 HydrophobicContact CB-CE2 3.92Å; V710-F712 HydrophobicContact CG1-CD2 4.15Å; V710-F712 HydrophobicContact CG1-CE2 3.6Å; V710-F712 HydrophobicContact CG1-CZ 4.38Å
711D85.4Confident87Confident38 Ų3831 Ų3120%0.20316%0.163CC..EExtended strand (participates in β ladder)trans-88.7131.1179.9-168.4-7.5000111.2V669 K713V669-D711 VanDerWaalsContact CG1-O 3.25Å; V669-D711 WeakPolarHBondContact CG1-O 3.26Å; D711-K713 VanDerWaalsContact OD1-CB 3.27Å; D711-K713 WeakPolarHBondContact OD1-CB 3.26Å; D711-K713 VanDerWaalsContact OD1-CD 3.32Å; D711-K713 WeakPolarHBondContact OD1-CD 3.36Å; D711-K713 WeakPolarHBondContact OD1-CG 3.42Å; D711-K713 PolarHBondContact OD1-N 3.21Å
712F91.3Very high87.2Confident0 Ų028 Ų280%016%0.155CC..  trans-118.41.6179.3-75.6-108.7000112.5L665 V669 I677 V696 G700 L702 V710 N714 T715L665-F712 HydrophobicContact CD1-CE1 4.06Å; L665-F712 HydrophobicContact CD2-CE1 4.07Å; L665-F712 HydrophobicContact CD2-CZ 4.17Å; L665-F712 HydrophobicContact CG-CE1 3.89Å; L665-F712 HydrophobicContact CG-CZ 3.89Å; V669-F712 HydrophobicContact CB-CE1 4.1Å; V669-F712 HydrophobicContact CB-CE2 4.39Å; V669-F712 HydrophobicContact CB-CZ 3.96Å; V669-F712 HydrophobicContact CG1-CD1 4.09Å; V669-F712 HydrophobicContact CG1-CD2 4.2Å; V669-F712 HydrophobicContact CG1-CE1 4.06Å; V669-F712 HydrophobicContact CG1-CE2 4.13Å; V669-F712 HydrophobicContact CG1-CG 4.15Å; V669-F712 HydrophobicContact CG1-CZ 4.07Å; V669-F712 HydrophobicContact CG2-CD1 4.22Å; V669-F712 HydrophobicContact CG2-CE1 3.61Å; V669-F712 HydrophobicContact CG2-CZ 3.9Å; I677-F712 HydrophobicContact CD1-CD1 3.44Å; I677-F712 VanDerWaalsContact CD1-CD1 3.44Å; I677-F712 HydrophobicContact CD1-CE1 3.49Å; I677-F712 VanDerWaalsContact CD1-CE1 3.49Å; V696-F712 HydrophobicContact CG1-CB 3.77Å; V696-F712 HydrophobicContact CG1-CD1 3.6Å; V696-F712 HydrophobicContact CG1-CE1 4.37Å; V696-F712 HydrophobicContact CG1-CG 3.79Å; V696-F712 HydrophobicContact CG2-CD1 4.11Å; V696-F712 HydrophobicContact CG2-CD2 4.36Å; V696-F712 HydrophobicContact CG2-CE1 4.21Å; V696-F712 HydrophobicContact CG2-CE2 4.49Å; V696-F712 HydrophobicContact CG2-CG 4.19Å; V696-F712 HydrophobicContact CG2-CZ 4.43Å; G700-F712 CarbonylContact O-C 3.56Å; G700-F712 WeakPolarHBondContact O-CA 3.4Å; G700-F712 PolarHBondContact O-N 2.7Å; L702-F712 HydrophobicContact CB-CD2 4.11Å; L702-F712 HydrophobicContact CB-CE2 3.54Å; L702-F712 HydrophobicContact CB-CZ 4.18Å; L702-F712 HydrophobicContact CD2-CE2 4.38Å; L702-F712 HydrophobicContact CD2-CZ 4.21Å; V710-F712 HydrophobicContact CB-CE2 3.92Å; V710-F712 HydrophobicContact CG1-CD2 4.15Å; V710-F712 HydrophobicContact CG1-CE2 3.6Å; V710-F712 HydrophobicContact CG1-CZ 4.38Å; F712-N714 PolarHBondContact O-N 3.34Å; F712-N714 VanDerWaalsContact O-N 3.14Å; F712-T715 HydrophobicContact CB-CG2 4.35Å; F712-T715 HydrophobicContact CD1-CG2 4.21Å; F712-T715 WeakPolarHBondContact O-CB 3.29Å; F712-T715 PolarHBondContact O-N 2.93Å; F712-T715 PolarHBondContact O-OG1 2.76Å
713K85.1Confident87.3Confident63 Ų6328.9 Ų28.927%0.27416%0.159SC..THydrogen-bonded Turntrans-58.4-29.7-177.7-66.9164.1-177-162.60113P597 N598 P600 L601 G700 D711P597-K713 WeakPolarHBondContact O-CD 3.33Å; P597-K713 WeakPolarHBondContact O-CG 3.12Å; N598-K713 PolarHBondContact OD1-NZ 2.86Å; P600-K713 CarbonylContact C-O 3.59Å; L601-K713 PolarHBondContact N-O 3.37Å; G700-K713 PolarHBondContact O-N 3.36Å; D711-K713 VanDerWaalsContact OD1-CB 3.27Å; D711-K713 WeakPolarHBondContact OD1-CB 3.26Å; D711-K713 VanDerWaalsContact OD1-CD 3.32Å; D711-K713 WeakPolarHBondContact OD1-CD 3.36Å; D711-K713 WeakPolarHBondContact OD1-CG 3.42Å; D711-K713 PolarHBondContact OD1-N 3.21Å
714N81.5Confident87.6Confident20 Ų2026.3 Ų26.311%0.10715%0.145CC..THydrogen-bonded Turntrans-95.313.6179.3-60.5-66000113.9L601 P673 Y674 F712L601-N714 WeakPolarHBondContact CD1-O 3.25Å; P673-N714 CarbonylContact O-C 3.37Å; Y674-N714 HydrophobicContact CD1-CB 3.66Å; Y674-N714 HydrophobicContact CD2-CB 4.16Å; Y674-N714 HydrophobicContact CE1-CB 3.4Å; Y674-N714 WeakPolarHBondContact CE1-OD1 3.29Å; Y674-N714 HydrophobicContact CE2-CB 3.88Å; Y674-N714 HydrophobicContact CG-CB 4.03Å; Y674-N714 VanDerWaalsContact CZ-CB 3.5Å; Y674-N714 PolarHBondContact OH-ND2 2.93Å; Y674-N714 PolarHBondContact OH-OD1 2.72Å; F712-N714 PolarHBondContact O-N 3.34Å; F712-N714 VanDerWaalsContact O-N 3.14Å
715T89.3Confident87.8Confident0 Ų027 Ų270%015%0.15CC..  trans-98.8152.8178.467.70000111.5P600 L601 V669 P673 T675 I677 F712P600-T715 VanDerWaalsContact CB-O 3.3Å; P600-T715 WeakPolarHBondContact CB-O 3.24Å; L601-T715 PolarHBondContact N-O 3.16Å; V669-T715 HydrophobicContact CG1-CG2 3.75Å; V669-T715 HydrophobicContact CG2-CG2 4.43Å; P673-T715 VanDerWaalsContact O-CG2 3.28Å; P673-T715 WeakPolarHBondContact O-CG2 3.32Å; T675-T715 HydrophobicContact CG2-CG2 4.16Å; T675-T715 VanDerWaalsContact O-CA 3.26Å; T675-T715 WeakPolarHBondContact O-CA 3.48Å; T675-T715 WeakPolarHBondContact O-CB 3.4Å; I677-T715 HydrophobicContact CD1-CG2 3.94Å; F712-T715 HydrophobicContact CB-CG2 4.35Å; F712-T715 HydrophobicContact CD1-CG2 4.21Å; F712-T715 WeakPolarHBondContact O-CB 3.29Å; F712-T715 PolarHBondContact O-N 2.93Å; F712-T715 PolarHBondContact O-OG1 2.76Å
716V92.8Very high88.2Confident0 Ų030.6 Ų30.60%016%0.163CC..EExtended strand (participates in β ladder)trans-106.1119.2165.6-178.40000107.9L601 F604 L621 L625 T675 I676 I677 I718L601-V716 HydrophobicContact CB-CG2 4.03Å; L601-V716 HydrophobicContact CD1-CG2 4.22Å; F604-V716 HydrophobicContact CD2-CG1 4.04Å; F604-V716 HydrophobicContact CE2-CG1 3.72Å; L621-V716 HydrophobicContact CD2-CG1 4.04Å; L625-V716 HydrophobicContact CD1-CG2 4.45Å; T675-V716 PolarHBondContact O-N 3.38Å; T675-V716 VanDerWaalsContact O-N 3.14Å; I676-V716 CarbonylContact C-O 3.56Å; I676-V716 WeakPolarHBondContact CA-O 3.42Å; I676-V716 HydrophobicContact CG1-CB 4.21Å; I677-V716 PolarHBondContact N-O 2.87Å; V716-I718 HydrophobicContact CG1-CD1 4.41Å; V716-I718 HydrophobicContact CG1-CG1 4.08Å
717L95.7Very high88.9Confident1 Ų129.2 Ų29.21%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-94.7116179.3-173.163.9000110.1G602 S603 F604 I677 L679 L693 L697 M719G602-L717 PolarHBondContact O-N 3.08Å; S603-L717 CarbonylContact C-O 3.11Å; S603-L717 VanDerWaalsContact CA-O 3.31Å; S603-L717 WeakPolarHBondContact CA-O 3.31Å; F604-L717 PolarHBondContact N-O 3.1Å; I677-L717 HydrophobicContact CB-CD1 3.69Å; I677-L717 HydrophobicContact CD1-CD1 4.46Å; I677-L717 HydrophobicContact CG2-CD1 3.56Å; L679-L717 HydrophobicContact CD1-CD1 3.93Å; L679-L717 HydrophobicContact CG-CD1 4.19Å; L693-L717 HydrophobicContact CD2-CD2 4.49Å; L697-L717 HydrophobicContact CD2-CD2 3.8Å; L697-L717 HydrophobicContact CG-CD2 4.13Å; L717-M719 HydrophobicContact CD2-CE 4.16Å; L717-M719 HydrophobicContact CD2-SD 4.4Å; L717-M719 HydrophobicContact CG-CE 4.35Å
718I97.4Very high89.6Confident0 Ų026.5 Ų26.50%013%0.131CC..EExtended strand (participates in β ladder)trans-116.1122.9176-59.9178.2000108.3F604 F606 A618 L621 I676 I677 L678 L679 V716F604-I718 HydrophobicContact CD2-CG1 4.25Å; F606-I718 HydrophobicContact CD2-CG2 3.48Å; F606-I718 VanDerWaalsContact CD2-CG2 3.48Å; F606-I718 HydrophobicContact CE1-CG2 4.42Å; F606-I718 HydrophobicContact CE2-CD1 4.17Å; F606-I718 HydrophobicContact CE2-CG2 3.35Å; F606-I718 HydrophobicContact CG-CG2 4.08Å; F606-I718 HydrophobicContact CZ-CD1 4.19Å; F606-I718 HydrophobicContact CZ-CG1 4.38Å; F606-I718 HydrophobicContact CZ-CG2 3.86Å; A618-I718 HydrophobicContact CB-CD1 3.65Å; L621-I718 HydrophobicContact CD2-CD1 4.42Å; I676-I718 HydrophobicContact CG2-CD1 3.75Å; I676-I718 HydrophobicContact CG2-CG1 4.15Å; I677-I718 PolarHBondContact O-N 3.44Å; L678-I718 CarbonylContact C-O 3.59Å; L678-I718 WeakPolarHBondContact CA-O 3.49Å; L678-I718 HydrophobicContact CD1-CB 3.91Å; L678-I718 HydrophobicContact CD1-CG2 3.56Å; L679-I718 PolarHBondContact N-O 3.28Å; V716-I718 HydrophobicContact CG1-CD1 4.41Å; V716-I718 HydrophobicContact CG1-CG1 4.08Å
719M97.5Very high90.1Very high0 Ų024 Ų240%012%0.124CC..EExtended strand (participates in β ladder)trans-112.2130.8174.4-68.4164.2-7300108.5F604 L605 F606 L679 I682 L693 L717 F758 I762F604-M719 PolarHBondContact O-N 2.67Å; L605-M719 CarbonylContact C-O 3.59Å; L605-M719 WeakPolarHBondContact CA-O 3.33Å; L605-M719 HydrophobicContact CD1-CB 3.72Å; F606-M719 PolarHBondContact N-O 3.01Å; L679-M719 HydrophobicContact CB-CG 4.05Å; L679-M719 HydrophobicContact CD1-CG 3.97Å; L679-M719 HydrophobicContact CG-CG 4.37Å; L679-M719 CarbonylContact O-C 3.59Å; L679-M719 WeakPolarHBondContact O-CA 3.48Å; I682-M719 HydrophobicContact CB-CB 4.22Å; I682-M719 HydrophobicContact CD1-CG 4.42Å; I682-M719 HydrophobicContact CG1-CB 4.31Å; I682-M719 HydrophobicContact CG1-CG 4.2Å; I682-M719 HydrophobicContact CG1-SD 4.22Å; I682-M719 HydrophobicContact CG2-CB 4.17Å; L693-M719 HydrophobicContact CD1-SD 4.22Å; L717-M719 HydrophobicContact CD2-CE 4.16Å; L717-M719 HydrophobicContact CD2-SD 4.4Å; L717-M719 HydrophobicContact CG-CE 4.35Å; M719-F758 HydrophobicContact CE-CZ 4.27Å; M719-F758 HydrophobicContact SD-CE1 4.38Å; M719-F758 HydrophobicContact SD-CE2 4.28Å; M719-F758 HydrophobicContact SD-CZ 3.5Å; M719-F758 VanDerWaalsContact SD-CZ 3.5Å; M719-I762 HydrophobicContact CE-CD1 3.79Å; M719-I762 HydrophobicContact CE-CG1 4.01Å; M719-I762 HydrophobicContact CE-CG2 4.33Å
720T96.4Very high90.2Very high0 Ų024.8 Ų24.80%013%0.129CC..EExtended strand (participates in β ladder)trans-106146.2174.3840000109.7F606 K614 L678 L679 D680 E681 I682F606-T720 CarbonylContact O-C 3.58Å; F606-T720 WeakPolarHBondContact O-CA 3.03Å; K614-T720 HydrophobicContact CB-CG2 4.13Å; L678-T720 HydrophobicContact CD1-CG2 3.65Å; L679-T720 PolarHBondContact O-N 2.89Å; D680-T720 WeakPolarHBondContact CA-OG1 3.48Å; D680-T720 PolarHBondContact OD1-OG1 2.92Å; E681-T720 WeakPolarHBondContact CA-O 3.4Å; E681-T720 PolarHBondContact N-O 2.83Å; E681-T720 VanDerWaalsContact N-O 3.14Å; E681-T720 PolarHBondContact N-OG1 2.99Å; E681-T720 VanDerWaalsContact N-OG1 3.16Å; I682-T720 WeakPolarHBondContact CG2-O 3.33Å; I682-T720 PolarHBondContact N-O 3.26Å
721S95.2Very high90Very high0 Ų025.7 Ų25.70%014%0.139CC..EExtended strand (participates in β ladder)trans-142.4148.2172.1-176.90000111F606 G608 K614 E683 I723F606-S721 PolarHBondContact O-N 3.16Å; G608-S721 PolarHBondContact N-O 2.96Å; K614-S721 PolarHBondContact NZ-O 3.37Å; E683-S721 WeakPolarHBondContact OE2-CA 3.47Å; E683-S721 WeakPolarHBondContact OE2-CB 3.45Å; E683-S721 PolarHBondContact OE2-OG 3.14Å; S721-I723 WeakPolarHBondContact OG-CG1 3.26Å; S721-I723 PolarHBondContact OG-N 3.3Å
722N92.7Very high89.7Confident45 Ų4525.2 Ų25.224%0.24114%0.138CC..  trans-98.39.2172.7-61.2-42.1000111.9G608 K614 E681 E683 G724 S725G608-N722 PolarHBondContact O-OD1 3.44Å; K614-N722 PolarHBondContact NZ-OD1 2.99Å; E681-N722 PolarHBondContact OE1-ND2 3.47Å; E683-N722 PolarHBondContact OE1-N 3.32Å; N722-G724 PolarHBondContact O-N 2.91Å; N722-S725 VanDerWaalsContact C-OG 3.32Å; N722-S725 WeakPolarHBondContact CA-OG 3.43Å; N722-S725 WeakPolarHBondContact O-CB 3.49Å; N722-S725 PolarHBondContact O-N 3.47Å; N722-S725 PolarHBondContact O-OG 2.75Å
723I93.2Very high88.9Confident20 Ų2028 Ų2810%0.10316%0.155CC..THydrogen-bonded Turntrans-56.4133.7173-72171000109.9L607 E683 S721 S725 M749 H753 F754L607-I723 HydrophobicContact CD2-CB 4.05Å; E683-I723 HydrophobicContact CB-CD1 3.66Å; E683-I723 HydrophobicContact CB-CG1 4.07Å; E683-I723 HydrophobicContact CG-CD1 4.41Å; E683-I723 HydrophobicContact CG-CG1 4.27Å; S721-I723 WeakPolarHBondContact OG-CG1 3.26Å; S721-I723 PolarHBondContact OG-N 3.3Å; I723-S725 PolarHBondContact O-N 3.35Å; I723-M749 HydrophobicContact CG2-CB 3.85Å; I723-H753 HydrophobicContact CD1-CB 3.74Å; I723-F754 HydrophobicContact CD1-CD2 4.47Å; I723-F754 HydrophobicContact CD1-CE2 3.64Å; I723-F754 HydrophobicContact CD1-CZ 4.11Å
724G89.8Confident88.1Confident4 Ų431 Ų314%0.04118%0.184CC..THydrogen-bonded Turntrans76.24.1178.500000115.1N722 Q726 V727 L728N722-G724 PolarHBondContact O-N 2.91Å; G724-Q726 VanDerWaalsContact C-N 3.33Å; G724-Q726 PolarHBondContact O-N 2.94Å; G724-V727 WeakPolarHBondContact O-CB 3.26Å; G724-V727 PolarHBondContact O-N 3.13Å; G724-V727 VanDerWaalsContact O-N 3.09Å; G724-L728 PolarHBondContact O-N 3.46Å
725S89.7Confident87.3Confident21 Ų2136.8 Ų36.815%0.14721%0.21CC..Hα-helixtrans-54.4-44.6-178.1-63.10000113.3G608 N722 I723 V727 L728 L729G608-S725 PolarHBondContact O-OG 3.5Å; N722-S725 VanDerWaalsContact C-OG 3.32Å; N722-S725 WeakPolarHBondContact CA-OG 3.43Å; N722-S725 WeakPolarHBondContact O-CB 3.49Å; N722-S725 PolarHBondContact O-N 3.47Å; N722-S725 PolarHBondContact O-OG 2.75Å; I723-S725 PolarHBondContact O-N 3.35Å; S725-V727 VanDerWaalsContact C-N 3.34Å; S725-V727 PolarHBondContact O-N 3.37Å; S725-L728 PolarHBondContact O-N 3.27Å; S725-L729 WeakPolarHBondContact O-CB 3.3Å; S725-L729 VanDerWaalsContact O-CG 3.27Å; S725-L729 WeakPolarHBondContact O-CG 3.27Å; S725-L729 PolarHBondContact O-N 3.42Å
726Q87.7Confident86.5Confident114 Ų11437.8 Ų37.853%0.53322%0.221SC..Hα-helixtrans-63.4-41.5179.2-169.364.938.100111.8G724 L728 L729 D730G724-Q726 VanDerWaalsContact C-N 3.33Å; G724-Q726 PolarHBondContact O-N 2.94Å; Q726-L728 VanDerWaalsContact C-N 3.33Å; Q726-L728 PolarHBondContact O-N 2.9Å; Q726-L729 PolarHBondContact O-N 3.25Å; Q726-D730 PolarHBondContact NE2-OD1 2.97Å; Q726-D730 PolarHBondContact NE2-OD2 3.34Å; Q726-D730 WeakPolarHBondContact O-CB 3.37Å; Q726-D730 VanDerWaalsContact O-CG 3.31Å; Q726-D730 PolarHBondContact O-N 2.74Å
727V88.7Confident85.8Confident30 Ų3044 Ų4418%0.18225%0.248CC..Hα-helixtrans-65-39178.5176.40000110.9G724 S725 G731 T742 Q745 V746 M749G724-V727 WeakPolarHBondContact O-CB 3.26Å; G724-V727 PolarHBondContact O-N 3.13Å; G724-V727 VanDerWaalsContact O-N 3.09Å; S725-V727 VanDerWaalsContact C-N 3.34Å; S725-V727 PolarHBondContact O-N 3.37Å; V727-G731 WeakPolarHBondContact O-CA 3.45Å; V727-G731 PolarHBondContact O-N 3.48Å; V727-T742 HydrophobicContact CG1-CG2 3.74Å; V727-T742 WeakPolarHBondContact O-CG2 3.42Å; V727-Q745 HydrophobicContact CG1-CB 3.89Å; V727-V746 HydrophobicContact CB-CG2 4.15Å; V727-V746 HydrophobicContact CG1-CG2 3.95Å; V727-M749 HydrophobicContact CG2-SD 3.96Å
728L88.4Confident85.1Confident0 Ų045.5 Ų45.50%026%0.255CS..Hα-helixtrans-69-41.1174.8-69.9167.4000112G724 S725 Q726 D730 V732 I738 T742 V746G724-L728 PolarHBondContact O-N 3.46Å; S725-L728 PolarHBondContact O-N 3.27Å; Q726-L728 VanDerWaalsContact C-N 3.33Å; Q726-L728 PolarHBondContact O-N 2.9Å; L728-D730 PolarHBondContact O-N 3.21Å; L728-V732 HydrophobicContact CD2-CG2 4.36Å; L728-V732 WeakPolarHBondContact O-CB 3.26Å; L728-V732 WeakPolarHBondContact O-CG2 3.38Å; L728-V732 PolarHBondContact O-N 3.02Å; L728-I738 HydrophobicContact CD2-CD1 3.93Å; L728-I738 HydrophobicContact CD2-CG1 4.29Å; L728-I738 HydrophobicContact CD2-CG2 4.16Å; L728-T742 HydrophobicContact CD2-CG2 4.37Å; L728-V746 HydrophobicContact CD1-CG2 4.38Å; L728-V746 HydrophobicContact CD2-CG2 4.04Å; L728-V746 HydrophobicContact CG-CG2 3.85Å
729L85.7Confident84.6Confident41 Ų4147.9 Ų47.922%0.21527%0.271CS..Hα-helixtrans-62.7-41.1177.2-74.1167.8000112.3P609 S725 Q726 P770 P815P609-L729 HydrophobicContact CB-CD2 4.36Å; P609-L729 HydrophobicContact CB-CG 4.47Å; P609-L729 HydrophobicContact CG-CD2 4.13Å; P609-L729 HydrophobicContact CG-CG 4.18Å; S725-L729 WeakPolarHBondContact O-CB 3.3Å; S725-L729 VanDerWaalsContact O-CG 3.27Å; S725-L729 WeakPolarHBondContact O-CG 3.27Å; S725-L729 PolarHBondContact O-N 3.42Å; Q726-L729 PolarHBondContact O-N 3.25Å; L729-P770 HydrophobicContact CD2-CB 4.05Å; L729-P770 HydrophobicContact CD2-CG 3.95Å; L729-P815 HydrophobicContact CD2-CB 4.01Å; L729-P815 WeakPolarHBondContact CD2-O 3.13Å
730D84.3Confident84.1Confident121 Ų12153.9 Ų53.965%0.64730%0.299SS*.Hα-helixtrans-86.2-24.3-176.6-62.7-27.4000112.8Q726 L728Q726-D730 PolarHBondContact NE2-OD1 2.97Å; Q726-D730 PolarHBondContact NE2-OD2 3.34Å; Q726-D730 WeakPolarHBondContact O-CB 3.37Å; Q726-D730 VanDerWaalsContact O-CG 3.31Å; Q726-D730 PolarHBondContact O-N 2.74Å; L728-D730 PolarHBondContact O-N 3.21Å
731G81.2Confident83.7Confident22 Ų2256.7 Ų56.723%0.22732%0.322CS..Hα-helixtrans-107.1-10.7-167.800000116.2V727 P739 T742V727-G731 WeakPolarHBondContact O-CA 3.45Å; V727-G731 PolarHBondContact O-N 3.48Å; G731-P739 WeakPolarHBondContact O-CD 3.43Å; G731-P739 VanDerWaalsContact O-CG 3.26Å; G731-P739 WeakPolarHBondContact O-CG 3.33Å; G731-T742 PolarHBondContact O-OG1 3.21Å
732V79.7Confident83.3Confident28 Ų2857.3 Ų57.317%0.1733%0.326CS..SBendtrans-77.8139.1178.6168.90000110.6L728 I738 P770L728-V732 HydrophobicContact CD2-CG2 4.36Å; L728-V732 WeakPolarHBondContact O-CB 3.26Å; L728-V732 WeakPolarHBondContact O-CG2 3.38Å; L728-V732 PolarHBondContact O-N 3.02Å; V732-I738 HydrophobicContact CG2-CG1 3.95Å; V732-P770 HydrophobicContact CB-CG 4.36Å; V732-P770 HydrophobicContact CG2-CG 4.38Å
733T75.2Confident83.2Confident58 Ų5858.2 Ų58.236%0.35633%0.328SS..  trans-70.4163.217967.10000111.2E735 G736 K737 P739T733-E735 PolarHBondContact O-N 3.42Å; T733-E735 VanDerWaalsContact O-N 3.09Å; T733-E735 PolarHBondContact OG1-N 3.29Å; T733-G736 PolarHBondContact O-N 2.96Å; T733-K737 PolarHBondContact N-O 3.37Å; T733-K737 PolarHBondContact OG1-N 3.41Å; T733-K737 PolarHBondContact OG1-O 2.84Å; T733-P739 HydrophobicContact CG2-CG 4.1Å
734S68Low83.1Confident127 Ų12763.5 Ų63.589%0.88835%0.352SS*.THydrogen-bonded Turntrans-60.2-18.317351.10000113.8G736S734-G736 VanDerWaalsContact C-N 3.3Å
735E65.6Low83.1Confident140 Ų14068.5 Ų68.565%0.65437%0.374SS*.THydrogen-bonded Turntrans-85.43.1173.8-62.4176.5-165.400113T733 K737T733-E735 PolarHBondContact O-N 3.42Å; T733-E735 VanDerWaalsContact O-N 3.09Å; T733-E735 PolarHBondContact OG1-N 3.29Å; E735-K737 VanDerWaalsContact C-N 3.3Å; E735-K737 PolarHBondContact O-N 3.48Å; E735-K737 IonicContact OE2-NZ 2.9Å; E735-K737 PolarHBondContact OE2-NZ 2.85Å
736G71.2Confident83.2Confident22 Ų2267.5 Ų67.523%0.22737%0.367CS..SBendtrans779.3-177.800000114.7T733 S734 T769T733-G736 PolarHBondContact O-N 2.96Å; S734-G736 VanDerWaalsContact C-N 3.3Å; G736-T769 VanDerWaalsContact O-CG2 3.25Å; G736-T769 WeakPolarHBondContact O-CG2 3.46Å
737K78.6Confident83.4Confident131 Ų13164.1 Ų64.157%0.5735%0.352SS*.  trans-88.9140.8179.4-65.6177.5-174.5149.60111.3T733 E735 P739T733-K737 PolarHBondContact N-O 3.37Å; T733-K737 PolarHBondContact OG1-N 3.41Å; T733-K737 PolarHBondContact OG1-O 2.84Å; E735-K737 VanDerWaalsContact C-N 3.3Å; E735-K737 PolarHBondContact O-N 3.48Å; E735-K737 IonicContact OE2-NZ 2.9Å; E735-K737 PolarHBondContact OE2-NZ 2.85Å; K737-P739 WeakPolarHBondContact O-CD 3.3Å
738I81.5Confident83.5Confident32 Ų3266.4 Ų66.416%0.16437%0.37CS..  trans-88.9114.9175.5-51.4174.8000108.6L728 V732 T742 K743 L767 T769L728-I738 HydrophobicContact CD2-CD1 3.93Å; L728-I738 HydrophobicContact CD2-CG1 4.29Å; L728-I738 HydrophobicContact CD2-CG2 4.16Å; V732-I738 HydrophobicContact CG2-CG1 3.95Å; I738-T742 HydrophobicContact CG2-CG2 4.05Å; I738-K743 HydrophobicContact CG2-CB 4.04Å; I738-L767 HydrophobicContact CD1-CB 3.51Å; I738-L767 HydrophobicContact CD1-CD1 4.01Å; I738-L767 HydrophobicContact CD1-CG 4.38Å; I738-T769 HydrophobicContact CD1-CG2 3.79Å; I738-T769 HydrophobicContact CG1-CG2 3.65Å
739P86.1Confident83.7Confident49 Ų4970.8 Ų70.832%0.31839%0.391SS..  trans-60.7145.8170.8-21.533.6000111.3G731 T733 K737 A741 T742 K743G731-P739 WeakPolarHBondContact O-CD 3.43Å; G731-P739 VanDerWaalsContact O-CG 3.26Å; G731-P739 WeakPolarHBondContact O-CG 3.33Å; T733-P739 HydrophobicContact CG2-CG 4.1Å; K737-P739 WeakPolarHBondContact O-CD 3.3Å; P739-A741 PolarHBondContact O-N 3.31Å; P739-A741 VanDerWaalsContact O-N 3.16Å; P739-T742 WeakPolarHBondContact O-CA 3.35Å; P739-T742 WeakPolarHBondContact O-CB 3.47Å; P739-T742 PolarHBondContact O-N 2.81Å; P739-K743 PolarHBondContact O-N 2.99Å
740E86.8Confident84.1Confident126 Ų12669 Ų6959%0.58938%0.382SS*.Hα-helixtrans-53.4-39.5178.8-77.7-60.9143.300112.8T742 K743 E744E740-T742 VanDerWaalsContact C-N 3.31Å; E740-T742 PolarHBondContact O-N 2.68Å; E740-K743 WeakPolarHBondContact O-CB 3.39Å; E740-K743 PolarHBondContact O-N 2.92Å; E740-E744 WeakPolarHBondContact O-CG 3.35Å; E740-E744 PolarHBondContact O-N 3.16Å
741A88.2Confident84.4Confident59 Ų5971.8 Ų71.849%0.48838%0.383SS..Hα-helixtrans-61.3-38176.300000112.9P739 Q745P739-A741 PolarHBondContact O-N 3.31Å; P739-A741 VanDerWaalsContact O-N 3.16Å; A741-Q745 VanDerWaalsContact O-CG 3.28Å; A741-Q745 WeakPolarHBondContact O-CG 3.43Å; A741-Q745 PolarHBondContact O-N 3.11Å; A741-Q745 VanDerWaalsContact O-N 3.16Å
742T88Confident84.9Confident13 Ų1374.1 Ų74.18%0.0841%0.408CS..Hα-helixtrans-69.5-44176.5-52.10000110.1V727 L728 G731 I738 P739 E740 E744 Q745 V746V727-T742 HydrophobicContact CG1-CG2 3.74Å; V727-T742 WeakPolarHBondContact O-CG2 3.42Å; L728-T742 HydrophobicContact CD2-CG2 4.37Å; G731-T742 PolarHBondContact O-OG1 3.21Å; I738-T742 HydrophobicContact CG2-CG2 4.05Å; P739-T742 WeakPolarHBondContact O-CA 3.35Å; P739-T742 WeakPolarHBondContact O-CB 3.47Å; P739-T742 PolarHBondContact O-N 2.81Å; E740-T742 VanDerWaalsContact C-N 3.31Å; E740-T742 PolarHBondContact O-N 2.68Å; T742-E744 PolarHBondContact O-N 2.89Å; T742-Q745 PolarHBondContact O-N 2.92Å; T742-V746 WeakPolarHBondContact O-CG2 3.38Å; T742-V746 PolarHBondContact O-N 3.33Å
743K88.8Confident85.4Confident65 Ų6577.2 Ų77.228%0.28342%0.42SS..Hα-helixtrans-58.2-48175.5-179.6168-174.1170.60111.6I738 P739 E740 Q745 V746 L747 L767I738-K743 HydrophobicContact CG2-CB 4.04Å; P739-K743 PolarHBondContact O-N 2.99Å; E740-K743 WeakPolarHBondContact O-CB 3.39Å; E740-K743 PolarHBondContact O-N 2.92Å; K743-Q745 VanDerWaalsContact C-N 3.34Å; K743-Q745 PolarHBondContact O-N 2.98Å; K743-V746 PolarHBondContact O-N 2.8Å; K743-L747 HydrophobicContact CG-CD1 4.02Å; K743-L747 WeakPolarHBondContact O-CB 3.16Å; K743-L747 WeakPolarHBondContact O-CG 3.3Å; K743-L747 PolarHBondContact O-N 3.26Å; K743-L767 HydrophobicContact CB-CD1 4.34Å; K743-L767 HydrophobicContact CD-CD1 4.19Å; K743-L767 HydrophobicContact CG-CD1 3.74Å
744E91Very high86.3Confident130 Ų13074.9 Ų74.961%0.60741%0.405SS*.Hα-helixtrans-61-40.1177.2-75.7-174.7166.800112.7E740 T742 L747 S748E740-E744 WeakPolarHBondContact O-CG 3.35Å; E740-E744 PolarHBondContact O-N 3.16Å; T742-E744 PolarHBondContact O-N 2.89Å; E744-L747 PolarHBondContact O-N 2.91Å; E744-S748 VanDerWaalsContact O-CB 3.25Å; E744-S748 WeakPolarHBondContact O-CB 3.32Å; E744-S748 PolarHBondContact O-N 3.09Å
745Q91.8Very high87.4Confident109 Ų10976 Ų7651%0.50939%0.394SS..Hα-helixtrans-63.1-45.9176.7-75.3174.719.700111.8V727 A741 T742 K743 S748 M749V727-Q745 HydrophobicContact CG1-CB 3.89Å; A741-Q745 VanDerWaalsContact O-CG 3.28Å; A741-Q745 WeakPolarHBondContact O-CG 3.43Å; A741-Q745 PolarHBondContact O-N 3.11Å; A741-Q745 VanDerWaalsContact O-N 3.16Å; T742-Q745 PolarHBondContact O-N 2.92Å; K743-Q745 VanDerWaalsContact C-N 3.34Å; K743-Q745 PolarHBondContact O-N 2.98Å; Q745-S748 WeakPolarHBondContact O-CB 3.32Å; Q745-S748 PolarHBondContact O-N 2.6Å; Q745-M749 WeakPolarHBondContact O-CG 3.46Å; Q745-M749 PolarHBondContact O-N 3.31Å
746V91.4Very high88.6Confident0 Ų073.4 Ų73.40%039%0.389CS..Hα-helixtrans-63.5-45.6177.7177.10000110.9L607 V727 L728 T742 K743 S748 M749 L750 L767L607-V746 HydrophobicContact CD1-CG1 4.3Å; V727-V746 HydrophobicContact CB-CG2 4.15Å; V727-V746 HydrophobicContact CG1-CG2 3.95Å; L728-V746 HydrophobicContact CD1-CG2 4.38Å; L728-V746 HydrophobicContact CD2-CG2 4.04Å; L728-V746 HydrophobicContact CG-CG2 3.85Å; T742-V746 WeakPolarHBondContact O-CG2 3.38Å; T742-V746 PolarHBondContact O-N 3.33Å; K743-V746 PolarHBondContact O-N 2.8Å; V746-S748 VanDerWaalsContact C-N 3.29Å; V746-S748 PolarHBondContact O-N 2.9Å; V746-M749 WeakPolarHBondContact O-CB 3.38Å; V746-M749 PolarHBondContact O-N 3Å; V746-L750 WeakPolarHBondContact O-CB 3.19Å; V746-L750 PolarHBondContact O-N 3.45Å; V746-L767 HydrophobicContact CB-CD2 4.31Å; V746-L767 HydrophobicContact CG1-CD2 3.61Å
747L90.7Very high89.6Confident43 Ų4378 Ų7823%0.22541%0.405CS..Hα-helixtrans-65-32.2177.4-68.9176.5000112.6K743 E744 L750 R751K743-L747 HydrophobicContact CG-CD1 4.02Å; K743-L747 WeakPolarHBondContact O-CB 3.16Å; K743-L747 WeakPolarHBondContact O-CG 3.3Å; K743-L747 PolarHBondContact O-N 3.26Å; E744-L747 PolarHBondContact O-N 2.91Å; L747-L750 HydrophobicContact CD2-CD2 4.18Å; L747-L750 WeakPolarHBondContact O-CB 3.32Å; L747-L750 PolarHBondContact O-N 3.19Å; L747-R751 WeakPolarHBondContact O-CB 3.24Å; L747-R751 VanDerWaalsContact O-CG 3.3Å; L747-R751 WeakPolarHBondContact O-CG 3.38Å; L747-R751 PolarHBondContact O-N 3.4Å
748S92.3Very high90.3Very high78 Ų7872 Ų7255%0.54538%0.379SS..Hα-helixtrans-65.4-45.7172.8-175.80000111.4E744 Q745 V746 L750 R751 G752E744-S748 VanDerWaalsContact O-CB 3.25Å; E744-S748 WeakPolarHBondContact O-CB 3.32Å; E744-S748 PolarHBondContact O-N 3.09Å; Q745-S748 WeakPolarHBondContact O-CB 3.32Å; Q745-S748 PolarHBondContact O-N 2.6Å; V746-S748 VanDerWaalsContact C-N 3.29Å; V746-S748 PolarHBondContact O-N 2.9Å; S748-L750 VanDerWaalsContact C-N 3.29Å; S748-L750 PolarHBondContact O-N 2.64Å; S748-R751 PolarHBondContact O-N 3.26Å; S748-G752 PolarHBondContact O-N 3.31Å
749M92.8Very high90.9Very high92 Ų9271.6 Ų71.645%0.45338%0.377SS..Hα-helixtrans-60.6-41.2174-66.8176.471.300111.5I723 V727 Q745 V746 G752 H753I723-M749 HydrophobicContact CG2-CB 3.85Å; V727-M749 HydrophobicContact CG2-SD 3.96Å; Q745-M749 WeakPolarHBondContact O-CG 3.46Å; Q745-M749 PolarHBondContact O-N 3.31Å; V746-M749 WeakPolarHBondContact O-CB 3.38Å; V746-M749 PolarHBondContact O-N 3Å; M749-G752 PolarHBondContact O-N 3.08Å; M749-H753 PolarHBondContact O-N 3.31Å; M749-H753 VanDerWaalsContact O-N 3.15Å
750L92.8Very high91.2Very high4 Ų475.6 Ų75.62%0.02140%0.396CS..Hα-helixtrans-60.1-50.1177-17674.2000112L605 L607 V746 L747 S748 G752 H753 F754 L759 T765L605-L750 HydrophobicContact CD2-CD1 3.69Å; L605-L750 HydrophobicContact CD2-CD2 4.3Å; L607-L750 HydrophobicContact CD1-CD1 3.9Å; L607-L750 HydrophobicContact CD1-CD2 3.9Å; L607-L750 HydrophobicContact CD1-CG 4.35Å; L607-L750 HydrophobicContact CD2-CD1 3.81Å; L607-L750 HydrophobicContact CG-CD1 4.38Å; V746-L750 WeakPolarHBondContact O-CB 3.19Å; V746-L750 PolarHBondContact O-N 3.45Å; L747-L750 HydrophobicContact CD2-CD2 4.18Å; L747-L750 WeakPolarHBondContact O-CB 3.32Å; L747-L750 PolarHBondContact O-N 3.19Å; S748-L750 VanDerWaalsContact C-N 3.29Å; S748-L750 PolarHBondContact O-N 2.64Å; L750-G752 PolarHBondContact O-N 3.18Å; L750-H753 PolarHBondContact O-N 3.09Å; L750-H753 VanDerWaalsContact O-N 3.08Å; L750-F754 HydrophobicContact CD1-CD2 3.39Å; L750-F754 HydrophobicContact CD1-CE2 3.53Å; L750-F754 HydrophobicContact CG-CD2 4.1Å; L750-F754 PolarHBondContact O-N 3.43Å; L750-L759 HydrophobicContact CD1-CD2 4.35Å; L750-L759 HydrophobicContact CD2-CD1 4.23Å; L750-L759 HydrophobicContact CD2-CD2 3.91Å; L750-L759 HydrophobicContact CG-CD1 4.19Å; L750-L759 HydrophobicContact CG-CD2 4.04Å; L750-T765 HydrophobicContact CD2-CG2 3.86Å
751R91.7Very high91.5Very high179 Ų17974.3 Ų74.368%0.67539%0.386SS*.Hα-helixtrans-66.7-24.9177.9-70.5172.6-174165.23.8113L747 S748 H753 L759L747-R751 WeakPolarHBondContact O-CB 3.24Å; L747-R751 VanDerWaalsContact O-CG 3.3Å; L747-R751 WeakPolarHBondContact O-CG 3.38Å; L747-R751 PolarHBondContact O-N 3.4Å; S748-R751 PolarHBondContact O-N 3.26Å; R751-H753 VanDerWaalsContact C-N 3.33Å; R751-L759 HydrophobicContact CG-CD1 4.2Å
752G91.2Very high91.7Very high72 Ų7272.2 Ų72.274%0.74237%0.366SS*.Hα-helixtrans-71.5-29.1171.900000113S748 M749 L750S748-G752 PolarHBondContact O-N 3.31Å; M749-G752 PolarHBondContact O-N 3.08Å; L750-G752 PolarHBondContact O-N 3.18Å
753H90.5Very high91.8Very high93 Ų9374.1 Ų74.143%0.43138%0.375SS..Hα-helixtrans-92.5-49.1-177.9-166.4-83.4000113E683 I723 M749 L750 R751E683-H753 VanDerWaalsContact CA-CE1 3.46Å; E683-H753 WeakPolarHBondContact CA-CE1 2.9Å; E683-H753 PolarHBondContact O-CE1 2.84Å; E683-H753 PolarHBondContact O-NE2 2.85Å; I723-H753 HydrophobicContact CD1-CB 3.74Å; M749-H753 PolarHBondContact O-N 3.31Å; M749-H753 VanDerWaalsContact O-N 3.15Å; L750-H753 PolarHBondContact O-N 3.09Å; L750-H753 VanDerWaalsContact O-N 3.08Å; R751-H753 VanDerWaalsContact C-N 3.33Å
754F93.4Very high91.9Very high9 Ų974.4 Ų74.44%0.03938%0.38CS..SBendtrans-100.6142.6-177.3-58.8-72.8000112I682 E683 F690 I723 L750 F758 L759I682-F754 HydrophobicContact CG2-CE1 4.3Å; I682-F754 HydrophobicContact CG2-CZ 3.77Å; E683-F754 HydrophobicContact CB-CZ 4.12Å; F690-F754 AromaticContact CE1-CD1 3.71Å; F690-F754 HydrophobicContact CE1-CD1 3.71Å; F690-F754 AromaticContact CE1-CE1 3.55Å; F690-F754 HydrophobicContact CE1-CE1 3.55Å; F690-F754 HydrophobicContact CZ-CD1 4.01Å; F690-F754 AromaticContact CZ-CE1 3.67Å; F690-F754 HydrophobicContact CZ-CE1 3.67Å; I723-F754 HydrophobicContact CD1-CD2 4.47Å; I723-F754 HydrophobicContact CD1-CE2 3.64Å; I723-F754 HydrophobicContact CD1-CZ 4.11Å; L750-F754 HydrophobicContact CD1-CD2 3.39Å; L750-F754 HydrophobicContact CD1-CE2 3.53Å; L750-F754 HydrophobicContact CG-CD2 4.1Å; L750-F754 PolarHBondContact O-N 3.43Å; F754-F758 HydrophobicContact CB-CD1 4.2Å; F754-F758 HydrophobicContact CD1-CD1 4.02Å; F754-F758 HydrophobicContact CD1-CE1 4.06Å; F754-F758 HydrophobicContact CE1-CE1 4.45Å; F754-F758 HydrophobicContact CG-CD1 4.25Å; F754-F758 HydrophobicContact CG-CE1 4.49Å; F754-L759 HydrophobicContact CB-CD1 4.15Å; F754-L759 HydrophobicContact CB-CD2 3.86Å; F754-L759 HydrophobicContact CB-CG 3.84Å; F754-L759 HydrophobicContact CD2-CD2 4.21Å; F754-L759 HydrophobicContact CG-CD2 4.28Å
755K91.1Very high92.1Very high149 Ų14970.1 Ų70.165%0.64836%0.363SS*.  trans-64.9143.3174.3-65.6-179.8-178.7175.10110.2E757 F758 L759K755-E757 PolarHBondContact O-N 3.39Å; K755-E757 VanDerWaalsContact O-N 3.16Å; K755-F758 PolarHBondContact O-N 3.48Å; K755-L759 PolarHBondContact O-N 3.16Å
756P91.2Very high92.1Very high87 Ų8765 Ų6557%0.56534%0.339SS*.Hα-helixtrans-55.1-34.7175.5-26.434.1000113.4F758 L759 N760P756-F758 VanDerWaalsContact C-N 3.3Å; P756-F758 PolarHBondContact O-N 2.95Å; P756-L759 PolarHBondContact O-N 3.46Å; P756-N760 WeakPolarHBondContact O-CB 3.38Å; P756-N760 PolarHBondContact O-N 3.05Å; P756-N760 PolarHBondContact O-ND2 2.83Å
757E91.7Very high92.2Very high117 Ų11765.5 Ų65.555%0.54734%0.342SS..Hα-helixtrans-55.2-43.8176.6-177.5176.2-166.500112.5L694 K755 R761L694-E757 HydrophobicContact CD1-CG 4.42Å; L694-E757 HydrophobicContact CD2-CG 4.44Å; K755-E757 PolarHBondContact O-N 3.39Å; K755-E757 VanDerWaalsContact O-N 3.16Å; E757-R761 WeakPolarHBondContact O-CG 3.49Å
758F94.3Very high92.3Very high6 Ų663.4 Ų63.43%0.02633%0.331CS..Hα-helixtrans-72.7-48.1178.8175.3-109.4000111.7F690 L693 L694 L697 M719 F754 K755 P756 N760 R761 I762F690-F758 HydrophobicContact CB-CD2 4.48Å; F690-F758 HydrophobicContact CD1-CD1 4.08Å; F690-F758 AromaticContact CD1-CD2 3.95Å; F690-F758 HydrophobicContact CD1-CD2 3.95Å; F690-F758 AromaticContact CD1-CE1 3.88Å; F690-F758 HydrophobicContact CD1-CE1 3.88Å; F690-F758 AromaticContact CD1-CE2 3.77Å; F690-F758 HydrophobicContact CD1-CE2 3.77Å; F690-F758 HydrophobicContact CD1-CG 4.08Å; F690-F758 AromaticContact CD1-CZ 3.7Å; F690-F758 HydrophobicContact CD1-CZ 3.7Å; F690-F758 HydrophobicContact CE1-CD1 4.37Å; F690-F758 AromaticContact CE1-CE1 3.94Å; F690-F758 HydrophobicContact CE1-CE1 3.94Å; F690-F758 HydrophobicContact CE1-CZ 4Å; L693-F758 HydrophobicContact CB-CE2 4.09Å; L693-F758 HydrophobicContact CD1-CE2 4.14Å; L693-F758 HydrophobicContact CD1-CZ 4.3Å; L694-F758 HydrophobicContact CD2-CD2 4.49Å; L697-F758 HydrophobicContact CD1-CD2 4.29Å; L697-F758 HydrophobicContact CD1-CE2 3.96Å; M719-F758 HydrophobicContact CE-CZ 4.27Å; M719-F758 HydrophobicContact SD-CE1 4.38Å; M719-F758 HydrophobicContact SD-CE2 4.28Å; M719-F758 HydrophobicContact SD-CZ 3.5Å; M719-F758 VanDerWaalsContact SD-CZ 3.5Å; F754-F758 HydrophobicContact CB-CD1 4.2Å; F754-F758 HydrophobicContact CD1-CD1 4.02Å; F754-F758 HydrophobicContact CD1-CE1 4.06Å; F754-F758 HydrophobicContact CE1-CE1 4.45Å; F754-F758 HydrophobicContact CG-CD1 4.25Å; F754-F758 HydrophobicContact CG-CE1 4.49Å; K755-F758 PolarHBondContact O-N 3.48Å; P756-F758 VanDerWaalsContact C-N 3.3Å; P756-F758 PolarHBondContact O-N 2.95Å; F758-N760 VanDerWaalsContact C-N 3.27Å; F758-N760 PolarHBondContact O-N 2.94Å; F758-R761 PolarHBondContact O-N 2.8Å; F758-I762 HydrophobicContact CD1-CD1 4.18Å; F758-I762 HydrophobicContact CE1-CD1 3.77Å; F758-I762 HydrophobicContact CZ-CD1 4.12Å
759L93.6Very high92.1Very high24 Ų2460.6 Ų60.613%0.12631%0.31CS..Hα-helixtrans-59.9-37.3-178-67177.3000112.6L605 L750 R751 F754 K755 P756 R761 I762L605-L759 HydrophobicContact CD2-CD2 4.02Å; L750-L759 HydrophobicContact CD1-CD2 4.35Å; L750-L759 HydrophobicContact CD2-CD1 4.23Å; L750-L759 HydrophobicContact CD2-CD2 3.91Å; L750-L759 HydrophobicContact CG-CD1 4.19Å; L750-L759 HydrophobicContact CG-CD2 4.04Å; R751-L759 HydrophobicContact CG-CD1 4.2Å; F754-L759 HydrophobicContact CB-CD1 4.15Å; F754-L759 HydrophobicContact CB-CD2 3.86Å; F754-L759 HydrophobicContact CB-CG 3.84Å; F754-L759 HydrophobicContact CD2-CD2 4.21Å; F754-L759 HydrophobicContact CG-CD2 4.28Å; K755-L759 PolarHBondContact O-N 3.16Å; P756-L759 PolarHBondContact O-N 3.46Å; L759-R761 PolarHBondContact O-N 2.91Å; L759-I762 HydrophobicContact CD2-CD1 4.31Å; L759-I762 PolarHBondContact O-N 3.06Å
760N92.5Very high92Very high133 Ų13356.9 Ų56.971%0.71129%0.293SS*.THydrogen-bonded Turntrans-70.4-10.5179.7-68.9-20.1000113.9P756 F758P756-N760 WeakPolarHBondContact O-CB 3.38Å; P756-N760 PolarHBondContact O-N 3.05Å; P756-N760 PolarHBondContact O-ND2 2.83Å; F758-N760 VanDerWaalsContact C-N 3.27Å; F758-N760 PolarHBondContact O-N 2.94Å
761R91.8Very high91.8Very high99 Ų9957.1 Ų57.137%0.37429%0.294SS..THydrogen-bonded Turntrans-95.5-8176.1-59.4-49.5-171.3136.36.9113.4R599 S603 L694 L697 D698 E757 F758 L759R599-R761 PolarHBondContact NH2-O 3.15Å; S603-R761 PolarHBondContact OG-O 2.69Å; L694-R761 HydrophobicContact CD2-CB 4.44Å; L694-R761 HydrophobicContact CD2-CG 3.76Å; L697-R761 HydrophobicContact CB-CB 4.01Å; L697-R761 HydrophobicContact CD1-CB 4.01Å; D698-R761 WeakPolarHBondContact OD1-CD 3.43Å; D698-R761 WeakPolarHBondContact OD1-CG 3.37Å; D698-R761 IonicContact OD1-CZ 3.38Å; D698-R761 IonicContact OD1-NE 3.32Å; D698-R761 PolarHBondContact OD1-NE 3.08Å; D698-R761 IonicContact OD1-NH1 3.9Å; D698-R761 PolarHBondContact OD1-NH1 3.37Å; D698-R761 IonicContact OD1-NH2 3.38Å; D698-R761 IonicContact OD2-CZ 2.73Å; D698-R761 IonicContact OD2-NE 3.2Å; D698-R761 IonicContact OD2-NH1 3.69Å; D698-R761 PolarHBondContact OD2-NH1 3.32Å; D698-R761 IonicContact OD2-NH2 3.4Å; D698-R761 PolarHBondContact OD2-NH2 3.26Å; E757-R761 WeakPolarHBondContact O-CG 3.49Å; F758-R761 PolarHBondContact O-N 2.8Å; L759-R761 PolarHBondContact O-N 2.91Å
762I92.7Very high91.7Very high14 Ų1450.1 Ų50.17%0.07227%0.273CS..SBendtrans-85.6131.9176.3-51.9-179.6000107.1S603 L605 M719 F758 L759 D764S603-I762 VanDerWaalsContact O-CG2 3.27Å; S603-I762 WeakPolarHBondContact O-CG2 3.28Å; L605-I762 HydrophobicContact CB-CD1 3.95Å; L605-I762 HydrophobicContact CB-CG2 4.11Å; L605-I762 HydrophobicContact CD2-CD1 4.07Å; M719-I762 HydrophobicContact CE-CD1 3.79Å; M719-I762 HydrophobicContact CE-CG1 4.01Å; M719-I762 HydrophobicContact CE-CG2 4.33Å; F758-I762 HydrophobicContact CD1-CD1 4.18Å; F758-I762 HydrophobicContact CE1-CD1 3.77Å; F758-I762 HydrophobicContact CZ-CD1 4.12Å; L759-I762 HydrophobicContact CD2-CD1 4.31Å; L759-I762 PolarHBondContact O-N 3.06Å; I762-D764 VanDerWaalsContact CG2-O 3.25Å; I762-D764 WeakPolarHBondContact CG2-O 3.26Å
763D90.1Very high91.4Very high53 Ų5350 Ų5028%0.28326%0.255SS..SBendtrans-67.5-39-177.6-60.4-50.8000111.5R599 G602 S603R599-D763 IonicContact CZ-OD1 3.83Å; R599-D763 VanDerWaalsContact CZ-OD1 3.26Å; R599-D763 IonicContact NH1-OD1 3.36Å; R599-D763 PolarHBondContact NH1-OD1 3.31Å; R599-D763 IonicContact NH2-OD1 3.24Å; R599-D763 PolarHBondContact NH2-OD1 2.84Å; R599-D763 IonicContact NH2-OD2 3.23Å; G602-D763 WeakPolarHBondContact CA-OD2 3.39Å; S603-D763 PolarHBondContact N-OD2 3.28Å; S603-D763 WeakPolarHBondContact O-CB 3.25Å; S603-D763 PolarHBondContact O-N 3.4Å; S603-D763 VanDerWaalsContact OG-CG 3.22Å; S603-D763 PolarHBondContact OG-N 2.89Å; S603-D763 PolarHBondContact OG-OD2 3.1Å
764D92.1Very high91.4Very high71 Ų7153.1 Ų53.138%0.3827%0.269SS..EExtended strand (participates in β ladder)trans-148.1147.6174.5-143.9-27000114S603 F604 L605 I762 I766S603-D764 PolarHBondContact O-N 2.98Å; F604-D764 WeakPolarHBondContact CA-O 3.27Å; F604-D764 HydrophobicContact CD1-CB 4.13Å; L605-D764 PolarHBondContact N-O 3.39Å; I762-D764 VanDerWaalsContact CG2-O 3.25Å; I762-D764 WeakPolarHBondContact CG2-O 3.26Å; D764-I766 HydrophobicContact CB-CD1 4.44Å; D764-I766 HydrophobicContact CB-CG1 4.33Å
765T93.7Very high91.3Very high40 Ų4054.1 Ų54.125%0.24528%0.275CS..EExtended strand (participates in β ladder)trans-114.1108.1172.5-61.50000108.9L605 L607 L750L605-T765 HydrophobicContact CB-CG2 4.34Å; L605-T765 HydrophobicContact CD2-CG2 4.29Å; L605-T765 HydrophobicContact CG-CG2 4.43Å; L605-T765 CarbonylContact O-C 3.56Å; L605-T765 WeakPolarHBondContact O-CA 3.27Å; L607-T765 HydrophobicContact CD1-CG2 3.44Å; L607-T765 VanDerWaalsContact CD1-CG2 3.44Å; L607-T765 HydrophobicContact CG-CG2 4.3Å; L750-T765 HydrophobicContact CD2-CG2 3.86Å
766I93.5Very high91.2Very high3 Ų347 Ų472%0.01524%0.244CC..EExtended strand (participates in β ladder)trans-104.8129.5-169.2-66157.7000109.6A579 A582 V583 F604 L605 F606 L607 D764 F768A579-I766 HydrophobicContact CB-CG2 3.45Å; A579-I766 VanDerWaalsContact CB-CG2 3.45Å; A582-I766 HydrophobicContact CB-CD1 3.74Å; A582-I766 HydrophobicContact CB-CG1 4.09Å; V583-I766 HydrophobicContact CG2-CD1 4.16Å; F604-I766 HydrophobicContact CB-CD1 4.43Å; F604-I766 HydrophobicContact CD1-CD1 3.79Å; F604-I766 HydrophobicContact CG-CD1 4.43Å; L605-I766 PolarHBondContact O-N 3.48Å; F606-I766 HydrophobicContact CD1-CB 4.08Å; F606-I766 HydrophobicContact CD1-CD1 4.11Å; F606-I766 HydrophobicContact CE1-CB 4.45Å; F606-I766 HydrophobicContact CE1-CD1 3.65Å; L607-I766 PolarHBondContact N-O 2.73Å; D764-I766 HydrophobicContact CB-CD1 4.44Å; D764-I766 HydrophobicContact CB-CG1 4.33Å; I766-F768 HydrophobicContact CB-CE2 4.42Å; I766-F768 HydrophobicContact CG2-CD2 4.07Å; I766-F768 HydrophobicContact CG2-CE2 3.74Å
767L92.4Very high91.3Very high9 Ų945.4 Ų45.45%0.04723%0.228CC..EExtended strand (participates in β ladder)trans-95118.1177.6-65.1168.5000109.8L607 I738 K743 V746L607-L767 HydrophobicContact CB-CD2 3.87Å; L607-L767 HydrophobicContact CD1-CD2 3.99Å; L607-L767 CarbonylContact O-C 3.55Å; L607-L767 WeakPolarHBondContact O-CA 3.41Å; I738-L767 HydrophobicContact CD1-CB 3.51Å; I738-L767 HydrophobicContact CD1-CD1 4.01Å; I738-L767 HydrophobicContact CD1-CG 4.38Å; K743-L767 HydrophobicContact CB-CD1 4.34Å; K743-L767 HydrophobicContact CD-CD1 4.19Å; K743-L767 HydrophobicContact CG-CD1 3.74Å; V746-L767 HydrophobicContact CB-CD2 4.31Å; V746-L767 HydrophobicContact CG1-CD2 3.61Å
768F92.9Very high91.3Very high0 Ų040.8 Ų40.80%021%0.212CC..PPolyproline II helixtrans-87.9129.5173.6-77.2-112000109.9Q576 A579 F606 L607 V612 K614 L617 I766Q576-F768 HydrophobicContact CB-CD1 4.41Å; Q576-F768 HydrophobicContact CB-CE1 4.31Å; Q576-F768 HydrophobicContact CG-CD1 3.85Å; Q576-F768 HydrophobicContact CG-CE1 4.08Å; Q576-F768 VanDerWaalsContact OE1-CA 3.28Å; A579-F768 HydrophobicContact CB-CE1 4.15Å; A579-F768 HydrophobicContact CB-CE2 3.92Å; A579-F768 HydrophobicContact CB-CZ 3.66Å; F606-F768 HydrophobicContact CB-CD2 3.94Å; F606-F768 HydrophobicContact CB-CE2 3.5Å; F606-F768 VanDerWaalsContact CB-CE2 3.5Å; F606-F768 HydrophobicContact CB-CZ 4.27Å; F606-F768 AromaticContact CD1-CE2 3.64Å; F606-F768 HydrophobicContact CD1-CE2 3.64Å; F606-F768 HydrophobicContact CD1-CZ 4.24Å; F606-F768 AromaticContact CD2-CE2 3.69Å; F606-F768 HydrophobicContact CD2-CE2 3.69Å; F606-F768 AromaticContact CD2-CZ 3.65Å; F606-F768 HydrophobicContact CD2-CZ 3.65Å; F606-F768 HydrophobicContact CE1-CE2 4.25Å; F606-F768 HydrophobicContact CE1-CZ 4.5Å; F606-F768 HydrophobicContact CE2-CE2 4.29Å; F606-F768 AromaticContact CE2-CZ 3.95Å; F606-F768 HydrophobicContact CE2-CZ 3.95Å; F606-F768 HydrophobicContact CG-CD2 4.26Å; F606-F768 AromaticContact CG-CE2 3.33Å; F606-F768 HydrophobicContact CG-CE2 3.33Å; F606-F768 AromaticContact CG-CZ 3.81Å; F606-F768 HydrophobicContact CG-CZ 3.81Å; F606-F768 HydrophobicContact CZ-CZ 4.38Å; L607-F768 PolarHBondContact O-N 3.04Å; V612-F768 HydrophobicContact CG2-CB 3.64Å; V612-F768 HydrophobicContact CG2-CD1 3.9Å; V612-F768 HydrophobicContact CG2-CG 4.13Å; K614-F768 HydrophobicContact CB-CE1 4.4Å; K614-F768 HydrophobicContact CD-CD2 4.43Å; K614-F768 HydrophobicContact CD-CG 4.42Å; K614-F768 HydrophobicContact CG-CB 4.44Å; K614-F768 HydrophobicContact CG-CD1 3.74Å; K614-F768 HydrophobicContact CG-CD2 3.94Å; K614-F768 HydrophobicContact CG-CE1 3.89Å; K614-F768 HydrophobicContact CG-CE2 4.11Å; K614-F768 HydrophobicContact CG-CG 3.76Å; K614-F768 HydrophobicContact CG-CZ 4.07Å; L617-F768 HydrophobicContact CD2-CZ 3.93Å; I766-F768 HydrophobicContact CB-CE2 4.42Å; I766-F768 HydrophobicContact CG2-CD2 4.07Å; I766-F768 HydrophobicContact CG2-CE2 3.74Å
769T88.8Confident91.2Very high18 Ų1841.9 Ų41.911%0.1122%0.218CC..PPolyproline II helixtrans-86.3149.1-179.651.50000110.6G575 Q576 G736 I738G575-T769 PolarHBondContact O-OG1 3.12Å; Q576-T769 PolarHBondContact NE2-O 3.29Å; Q576-T769 PolarHBondContact NE2-OG1 3.05Å; G736-T769 VanDerWaalsContact O-CG2 3.25Å; G736-T769 WeakPolarHBondContact O-CG2 3.46Å; I738-T769 HydrophobicContact CD1-CG2 3.79Å; I738-T769 HydrophobicContact CG1-CG2 3.65Å
770P89.3Confident91.1Very high15 Ų1540.8 Ų40.810%0.09721%0.212CC..PPolyproline II helixtrans-56.1141.9163.9-19.531.7000110.2P609 L729 V732P609-P770 HydrophobicContact CG-CG 4.1Å; L729-P770 HydrophobicContact CD2-CB 4.05Å; L729-P770 HydrophobicContact CD2-CG 3.95Å; V732-P770 HydrophobicContact CB-CG 4.36Å; V732-P770 HydrophobicContact CG2-CG 4.38Å
771L89.6Confident91.2Very high8 Ų837.8 Ų37.84%0.04219%0.194CC..PPolyproline II helixtrans-68.1138.5-179.1-62.1167.9000110.2D775 V776 I779 Y813 A819L771-D775 HydrophobicContact CB-CB 4.17Å; L771-D775 HydrophobicContact CD2-CB 3.99Å; L771-V776 HydrophobicContact CB-CG2 4.03Å; L771-I779 HydrophobicContact CD1-CD1 3.64Å; L771-I779 HydrophobicContact CD2-CD1 4.25Å; L771-Y813 HydrophobicContact CB-CE2 4.21Å; L771-Y813 PolarHBondContact N-OH 3.27Å; L771-Y813 WeakPolarHBondContact O-CE1 3.29Å; L771-Y813 VanDerWaalsContact O-CZ 3.23Å; L771-Y813 PolarHBondContact O-OH 2.96Å; L771-A819 HydrophobicContact CD1-CB 3.78Å
772S88.5Confident91Very high33 Ų3334.8 Ų34.823%0.23118%0.184CC..PPolyproline II helixtrans-76164.3167.672.10000110.1E774 D775 V776S772-E774 PolarHBondContact O-N 2.81Å; S772-E774 PolarHBondContact OG-N 2.73Å; S772-D775 VanDerWaalsContact CB-OD2 3.28Å; S772-D775 WeakPolarHBondContact CB-OD2 3.24Å; S772-D775 PolarHBondContact N-OD2 3.41Å; S772-D775 PolarHBondContact O-N 3.44Å; S772-D775 PolarHBondContact OG-N 3.07Å; S772-D775 VanDerWaalsContact OG-N 3.07Å; S772-D775 PolarHBondContact OG-OD2 3.08Å; S772-V776 VanDerWaalsContact O-CG2 3.3Å; S772-V776 WeakPolarHBondContact O-CG2 3.5Å; S772-V776 PolarHBondContact O-N 2.82Å
773L86.8Confident90.9Very high69 Ų6936.1 Ų36.136%0.36119%0.191SC..Hα-helixtrans-60.1-32.3173.9-163.582.9000111.2V776 K777 A809 E810L773-V776 PolarHBondContact O-N 3.37Å; L773-K777 WeakPolarHBondContact O-CG 3.4Å; L773-K777 PolarHBondContact O-N 3.23Å; L773-A809 HydrophobicContact CD1-CB 4.19Å; L773-A809 HydrophobicContact CG-CB 4.34Å; L773-E810 HydrophobicContact CD1-CG 4.1Å; L773-E810 HydrophobicContact CD2-CG 4.09Å
774E89.5Confident91.1Very high158 Ų15833.7 Ų33.774%0.73818%0.178SC*.Hα-helixtrans-68.4-43.8177.3-170166.6-171.700111.6S772 V776 K777 G778S772-E774 PolarHBondContact O-N 2.81Å; S772-E774 PolarHBondContact OG-N 2.73Å; E774-V776 VanDerWaalsContact C-N 3.27Å; E774-V776 PolarHBondContact O-N 2.92Å; E774-K777 WeakPolarHBondContact O-CB 3.25Å; E774-K777 PolarHBondContact O-N 3.46Å; E774-K777 VanDerWaalsContact O-N 3.13Å; E774-G778 PolarHBondContact O-N 3.13Å
775D90.7Very high91Very high30 Ų3035.6 Ų35.616%0.1618%0.184CC..Hα-helixtrans-58.6-43.3173.9-59.2-47.3000111I574 G575 L771 S772 K777 G778 I779I574-D775 HydrophobicContact CG2-CB 4Å; G575-D775 VanDerWaalsContact CA-OD1 3.26Å; G575-D775 WeakPolarHBondContact CA-OD1 3.34Å; L771-D775 HydrophobicContact CB-CB 4.17Å; L771-D775 HydrophobicContact CD2-CB 3.99Å; S772-D775 VanDerWaalsContact CB-OD2 3.28Å; S772-D775 WeakPolarHBondContact CB-OD2 3.24Å; S772-D775 PolarHBondContact N-OD2 3.41Å; S772-D775 PolarHBondContact O-N 3.44Å; S772-D775 PolarHBondContact OG-N 3.07Å; S772-D775 VanDerWaalsContact OG-N 3.07Å; S772-D775 PolarHBondContact OG-OD2 3.08Å; D775-K777 VanDerWaalsContact C-N 3.35Å; D775-K777 PolarHBondContact O-N 2.91Å; D775-G778 PolarHBondContact O-N 3.13Å; D775-I779 VanDerWaalsContact O-CG1 3.32Å; D775-I779 WeakPolarHBondContact O-CG1 3.4Å; D775-I779 PolarHBondContact O-N 3.31Å
776V90.5Very high90.8Very high0 Ų039.3 Ų39.30%020%0.199CC..Hα-helixtrans-61.4-42.6177.41740000111.2L771 S772 L773 E774 G778 I779 V780 A809 Y813 L822L771-V776 HydrophobicContact CB-CG2 4.03Å; S772-V776 VanDerWaalsContact O-CG2 3.3Å; S772-V776 WeakPolarHBondContact O-CG2 3.5Å; S772-V776 PolarHBondContact O-N 2.82Å; L773-V776 PolarHBondContact O-N 3.37Å; E774-V776 VanDerWaalsContact C-N 3.27Å; E774-V776 PolarHBondContact O-N 2.92Å; V776-G778 VanDerWaalsContact C-N 3.31Å; V776-G778 PolarHBondContact O-N 3.15Å; V776-I779 PolarHBondContact O-N 3.36Å; V776-I779 VanDerWaalsContact O-N 3.14Å; V776-V780 HydrophobicContact CG1-CG2 4.43Å; V776-V780 WeakPolarHBondContact O-CG2 3.48Å; V776-V780 PolarHBondContact O-N 3.31Å; V776-A809 HydrophobicContact CB-CB 4.2Å; V776-A809 HydrophobicContact CG1-CB 3.56Å; V776-Y813 HydrophobicContact CB-CG 4.44Å; V776-Y813 HydrophobicContact CG1-CG 4.27Å; V776-Y813 HydrophobicContact CG2-CD1 3.81Å; V776-Y813 HydrophobicContact CG2-CD2 3.48Å; V776-Y813 VanDerWaalsContact CG2-CD2 3.48Å; V776-Y813 HydrophobicContact CG2-CE1 4.01Å; V776-Y813 HydrophobicContact CG2-CE2 3.72Å; V776-Y813 HydrophobicContact CG2-CG 3.56Å; V776-L822 HydrophobicContact CG1-CD1 3.96Å; V776-L822 HydrophobicContact CG1-CD2 3.89Å
777K92.3Very high90.7Very high53 Ų5339.7 Ų39.723%0.2320%0.201CC..Hα-helixtrans-59.4-43.3174.8-70179.3-161.6-166.60111.3L773 E774 D775 I779 V780 E781 S806 A809L773-K777 WeakPolarHBondContact O-CG 3.4Å; L773-K777 PolarHBondContact O-N 3.23Å; E774-K777 WeakPolarHBondContact O-CB 3.25Å; E774-K777 PolarHBondContact O-N 3.46Å; E774-K777 VanDerWaalsContact O-N 3.13Å; D775-K777 VanDerWaalsContact C-N 3.35Å; D775-K777 PolarHBondContact O-N 2.91Å; K777-I779 VanDerWaalsContact C-N 3.31Å; K777-I779 PolarHBondContact O-N 3.5Å; K777-V780 WeakPolarHBondContact O-CB 3.42Å; K777-V780 PolarHBondContact O-N 3.02Å; K777-E781 PolarHBondContact O-N 3.43Å; K777-S806 VanDerWaalsContact CE-OG 3.23Å; K777-S806 WeakPolarHBondContact CE-OG 3.14Å; K777-S806 PolarHBondContact NZ-OG 3.01Å; K777-A809 HydrophobicContact CG-CB 3.78Å
778G91Very high90.7Very high20 Ų2040.1 Ų40.121%0.20621%0.205CC..Hα-helixtrans-60.3-39.7174.200000112.5I574 E774 D775 V776 E781 K782I574-G778 WeakPolarHBondContact CD1-O 3.28Å; E774-G778 PolarHBondContact O-N 3.13Å; D775-G778 PolarHBondContact O-N 3.13Å; V776-G778 VanDerWaalsContact C-N 3.31Å; V776-G778 PolarHBondContact O-N 3.15Å; G778-E781 PolarHBondContact O-N 3Å; G778-K782 WeakPolarHBondContact O-CB 3.5Å; G778-K782 PolarHBondContact O-N 2.79Å
779I91.9Very high90.5Very high30 Ų3046.1 Ų46.115%0.15423%0.232CC..Hα-helixtrans-66.8-41.2175.8-64.2165.9000111.1I574 L771 D775 V776 K777 K782 I783 A819 L822I574-I779 HydrophobicContact CB-CG1 4.19Å; I574-I779 HydrophobicContact CD1-CG1 3.93Å; I574-I779 HydrophobicContact CG1-CG1 4.48Å; L771-I779 HydrophobicContact CD1-CD1 3.64Å; L771-I779 HydrophobicContact CD2-CD1 4.25Å; D775-I779 VanDerWaalsContact O-CG1 3.32Å; D775-I779 WeakPolarHBondContact O-CG1 3.4Å; D775-I779 PolarHBondContact O-N 3.31Å; V776-I779 PolarHBondContact O-N 3.36Å; V776-I779 VanDerWaalsContact O-N 3.14Å; K777-I779 VanDerWaalsContact C-N 3.31Å; K777-I779 PolarHBondContact O-N 3.5Å; I779-K782 PolarHBondContact O-N 3.02Å; I779-I783 HydrophobicContact CG2-CD1 3.92Å; I779-I783 HydrophobicContact CG2-CG1 4.42Å; I779-I783 WeakPolarHBondContact O-CG1 3.24Å; I779-I783 PolarHBondContact O-N 3.49Å; I779-A819 HydrophobicContact CD1-CB 3.89Å; I779-A819 HydrophobicContact CG2-CB 4.38Å; I779-L822 HydrophobicContact CB-CD1 4.11Å; I779-L822 HydrophobicContact CG2-CD1 3.64Å
780V93.2Very high90.5Very high0 Ų052.1 Ų52.10%025%0.253CS..Hα-helixtrans-59.9-49.1176.1169.70000110.3V776 K777 K782 I783 V784 I800 K805 I808 L822 I826V776-V780 HydrophobicContact CG1-CG2 4.43Å; V776-V780 WeakPolarHBondContact O-CG2 3.48Å; V776-V780 PolarHBondContact O-N 3.31Å; K777-V780 WeakPolarHBondContact O-CB 3.42Å; K777-V780 PolarHBondContact O-N 3.02Å; V780-K782 VanDerWaalsContact C-N 3.29Å; V780-K782 PolarHBondContact O-N 2.95Å; V780-I783 PolarHBondContact O-N 3.27Å; V780-V784 WeakPolarHBondContact O-CG2 3.36Å; V780-V784 PolarHBondContact O-N 3.5Å; V780-I800 HydrophobicContact CG1-CD1 4.31Å; V780-K805 HydrophobicContact CG1-CG 4.38Å; V780-I808 HydrophobicContact CB-CG2 4.47Å; V780-I808 HydrophobicContact CG1-CB 4.09Å; V780-I808 HydrophobicContact CG1-CD1 3.9Å; V780-I808 HydrophobicContact CG1-CG2 3.92Å; V780-I808 HydrophobicContact CG2-CB 4.29Å; V780-I808 HydrophobicContact CG2-CG2 3.62Å; V780-L822 HydrophobicContact CG2-CD1 4.41Å; V780-L822 HydrophobicContact CG2-CD2 4.07Å; V780-I826 HydrophobicContact CG1-CD1 4.22Å; V780-I826 HydrophobicContact CG2-CD1 4.42Å
781E92.9Very high90.6Very high70 Ų7052 Ų5233%0.32725%0.252SS..Hα-helixtrans-53.9-47.5175.8-178.9154.8-145.700111.6K777 G778 I783 V784 Q785 K805K777-E781 PolarHBondContact O-N 3.43Å; G778-E781 PolarHBondContact O-N 3Å; E781-I783 PolarHBondContact O-N 3.36Å; E781-V784 PolarHBondContact O-N 2.83Å; E781-Q785 WeakPolarHBondContact O-CG 3.42Å; E781-Q785 PolarHBondContact O-N 3.2Å; E781-K805 HydrophobicContact CB-CD 3.74Å; E781-K805 HydrophobicContact CG-CD 4.25Å; E781-K805 IonicContact OE1-NZ 3.43Å; E781-K805 PolarHBondContact OE1-NZ 3.02Å; E781-K805 IonicContact OE2-NZ 2.76Å; E781-K805 PolarHBondContact OE2-NZ 2.95Å
782K89.3Confident90.6Very high37 Ų3756.8 Ų56.816%0.16127%0.273CS..Hα-helixtrans-62.8-42.1179.2-168.9-179.2178.8-142.10113.1K571 R572 G778 I779 V780 V784 Q785 H786K571-K782 WeakPolarHBondContact O-CE 3.43Å; R572-K782 PolarHBondContact O-NZ 2.95Å; G778-K782 WeakPolarHBondContact O-CB 3.5Å; G778-K782 PolarHBondContact O-N 2.79Å; I779-K782 PolarHBondContact O-N 3.02Å; V780-K782 VanDerWaalsContact C-N 3.29Å; V780-K782 PolarHBondContact O-N 2.95Å; K782-V784 VanDerWaalsContact C-N 3.31Å; K782-V784 PolarHBondContact O-N 3.47Å; K782-Q785 PolarHBondContact O-N 3.4Å; K782-H786 PolarHBondContact O-N 2.89Å
783I90.8Very high90.4Very high42 Ų4263.9 Ų63.922%0.21530%0.303CS..Hα-helixtrans-63.9-40.1176.5-66166.8000110.4I779 V780 E781 H786 L787 L822 I826I779-I783 HydrophobicContact CG2-CD1 3.92Å; I779-I783 HydrophobicContact CG2-CG1 4.42Å; I779-I783 WeakPolarHBondContact O-CG1 3.24Å; I779-I783 PolarHBondContact O-N 3.49Å; V780-I783 PolarHBondContact O-N 3.27Å; E781-I783 PolarHBondContact O-N 3.36Å; I783-H786 PolarHBondContact O-N 2.98Å; I783-L787 PolarHBondContact O-N 2.79Å; I783-L787 VanDerWaalsContact O-N 3.08Å; I783-L822 HydrophobicContact CD1-CB 4.09Å; I783-I826 HydrophobicContact CB-CD1 3.74Å; I783-I826 HydrophobicContact CD1-CD1 3.83Å; I783-I826 HydrophobicContact CG1-CD1 4.4Å; I783-I826 HydrophobicContact CG2-CB 4.42Å; I783-I826 HydrophobicContact CG2-CD1 3.59Å; I783-I826 HydrophobicContact CG2-CG2 4.05Å
784V92.5Very high90.4Very high2 Ų265.1 Ų65.11%0.01231%0.307CS..Hα-helixtrans-67.5-39.4176.6174.90000111.2V780 E781 K782 H786 L787 S788 L798 I800 I851V780-V784 WeakPolarHBondContact O-CG2 3.36Å; V780-V784 PolarHBondContact O-N 3.5Å; E781-V784 PolarHBondContact O-N 2.83Å; K782-V784 VanDerWaalsContact C-N 3.31Å; K782-V784 PolarHBondContact O-N 3.47Å; V784-H786 VanDerWaalsContact C-N 3.35Å; V784-H786 PolarHBondContact O-N 3.45Å; V784-L787 CarbonylContact O-C 3.58Å; V784-L787 WeakPolarHBondContact O-CA 3.45Å; V784-L787 WeakPolarHBondContact O-CB 3.39Å; V784-L787 PolarHBondContact O-N 3.06Å; V784-S788 PolarHBondContact O-N 2.96Å; V784-L798 HydrophobicContact CG1-CD2 3.98Å; V784-L798 HydrophobicContact CG1-CG 4.24Å; V784-I800 HydrophobicContact CB-CG2 4.17Å; V784-I800 HydrophobicContact CG1-CB 4.14Å; V784-I800 HydrophobicContact CG1-CG2 3.92Å; V784-I800 HydrophobicContact CG2-CD1 4.1Å; V784-I800 HydrophobicContact CG2-CG2 4.32Å; V784-I851 HydrophobicContact CG1-CD1 4.05Å
785Q90.5Very high90.3Very high111 Ų11162.5 Ų62.552%0.51930%0.295SS..Hα-helixtrans-60.8-42.1173.7-75174.4-2.900112E781 K782 L787 S788 H789E781-Q785 WeakPolarHBondContact O-CG 3.42Å; E781-Q785 PolarHBondContact O-N 3.2Å; K782-Q785 PolarHBondContact O-N 3.4Å; Q785-L787 VanDerWaalsContact C-N 3.26Å; Q785-L787 PolarHBondContact O-N 3.03Å; Q785-S788 WeakPolarHBondContact O-CB 3.47Å; Q785-S788 PolarHBondContact O-N 2.98Å; Q785-S788 VanDerWaalsContact O-N 3.13Å; Q785-H789 PolarHBondContact O-N 3.13Å
786H89.3Confident90.3Very high117 Ų11761.2 Ų61.254%0.54229%0.288SS..Hα-helixtrans-63.3-32.2173.2-76.9-162.9000112.8K782 I783 V784 R790K782-H786 PolarHBondContact O-N 2.89Å; I783-H786 PolarHBondContact O-N 2.98Å; V784-H786 VanDerWaalsContact C-N 3.35Å; V784-H786 PolarHBondContact O-N 3.45Å; H786-R790 PolarHBondContact O-N 3.4Å
787L92Very high90.4Very high12 Ų1265.6 Ų65.66%0.06331%0.308CS..Hα-helixtrans-70.4-41.8171.2176.563.2000111.2I783 V784 Q785 H789 R790 L791 L798 V830 E831 L834I783-L787 PolarHBondContact O-N 2.79Å; I783-L787 VanDerWaalsContact O-N 3.08Å; V784-L787 CarbonylContact O-C 3.58Å; V784-L787 WeakPolarHBondContact O-CA 3.45Å; V784-L787 WeakPolarHBondContact O-CB 3.39Å; V784-L787 PolarHBondContact O-N 3.06Å; Q785-L787 VanDerWaalsContact C-N 3.26Å; Q785-L787 PolarHBondContact O-N 3.03Å; L787-H789 VanDerWaalsContact C-N 3.35Å; L787-H789 PolarHBondContact O-N 3.04Å; L787-R790 PolarHBondContact O-N 3.14Å; L787-L791 HydrophobicContact CD1-CD1 4.39Å; L787-L791 HydrophobicContact CG-CD1 4.13Å; L787-L791 WeakPolarHBondContact O-CG 3.12Å; L787-L791 PolarHBondContact O-N 3.47Å; L787-L791 VanDerWaalsContact O-N 3.15Å; L787-L798 HydrophobicContact CB-CD2 4.31Å; L787-L798 HydrophobicContact CD2-CD2 3.58Å; L787-L798 HydrophobicContact CG-CD2 3.77Å; L787-V830 HydrophobicContact CD2-CG1 4.04Å; L787-E831 HydrophobicContact CD1-CG 4.04Å; L787-E831 HydrophobicContact CD2-CG 3.72Å; L787-E831 HydrophobicContact CG-CG 4.49Å; L787-L834 HydrophobicContact CD2-CD2 4.46Å
788S91.8Very high90.4Very high18 Ų1863.3 Ų63.313%0.12630%0.298CS..Hα-helixtrans-57.6-46.7175.6-170.80000111.4V784 Q785 R790 L791 E792 L798V784-S788 PolarHBondContact O-N 2.96Å; Q785-S788 WeakPolarHBondContact O-CB 3.47Å; Q785-S788 PolarHBondContact O-N 2.98Å; Q785-S788 VanDerWaalsContact O-N 3.13Å; S788-R790 VanDerWaalsContact C-N 3.29Å; S788-R790 PolarHBondContact O-N 3.45Å; S788-L791 CarbonylContact O-C 3.5Å; S788-L791 WeakPolarHBondContact O-CA 3.42Å; S788-L791 WeakPolarHBondContact O-CB 3.46Å; S788-L791 PolarHBondContact O-N 2.93Å; S788-E792 PolarHBondContact O-N 3.46Å; S788-E792 VanDerWaalsContact O-N 3.13Å; S788-L798 PolarHBondContact OG-N 3.07Å; S788-L798 PolarHBondContact OG-O 3.42Å
789H89.6Confident90.5Very high126 Ų12665.8 Ų65.858%0.58331%0.307SS*.Hα-helixtrans-60.9-37.7179.1-171.651.6000112.5Q785 L787 L791 E792Q785-H789 PolarHBondContact O-N 3.13Å; L787-H789 VanDerWaalsContact C-N 3.35Å; L787-H789 PolarHBondContact O-N 3.04Å; H789-L791 PolarHBondContact O-N 3.23Å; H789-E792 IonicContact CE1-OE2 3.8Å; H789-E792 PolarHBondContact CE1-OE2 2.87Å; H789-E792 IonicContact CG-OE2 2.78Å; H789-E792 IonicContact ND1-OE1 3.98Å; H789-E792 IonicContact ND1-OE2 3.8Å; H789-E792 PolarHBondContact ND1-OE2 3.04Å; H789-E792 WeakPolarHBondContact O-CB 2.97Å; H789-E792 PolarHBondContact O-N 3.19Å
790R88.8Confident90.6Very high144 Ų14465.5 Ų65.554%0.54331%0.305SS..Hα-helixtrans-67.1-24.9173-72.7-174.9-69.4153.7-2.1113.5H786 L787 S788 E831H786-R790 PolarHBondContact O-N 3.4Å; L787-R790 PolarHBondContact O-N 3.14Å; S788-R790 VanDerWaalsContact C-N 3.29Å; S788-R790 PolarHBondContact O-N 3.45Å; R790-E831 IonicContact CZ-OE1 3.12Å; R790-E831 IonicContact NH1-OE1 3.35Å; R790-E831 IonicContact NH2-OE1 2.95Å; R790-E831 PolarHBondContact NH2-OE1 2.99Å
791L91.1Very high90.7Very high13 Ų1367.4 Ų67.47%0.06832%0.317CS..Hα-helixtrans-84.8-14.1178.6-72169.7000112.9L787 S788 H789 E793 Q794 E795 I796 L798 L834 I838L787-L791 HydrophobicContact CD1-CD1 4.39Å; L787-L791 HydrophobicContact CG-CD1 4.13Å; L787-L791 WeakPolarHBondContact O-CG 3.12Å; L787-L791 PolarHBondContact O-N 3.47Å; L787-L791 VanDerWaalsContact O-N 3.15Å; S788-L791 CarbonylContact O-C 3.5Å; S788-L791 WeakPolarHBondContact O-CA 3.42Å; S788-L791 WeakPolarHBondContact O-CB 3.46Å; S788-L791 PolarHBondContact O-N 2.93Å; H789-L791 PolarHBondContact O-N 3.23Å; L791-E793 PolarHBondContact O-N 3.43Å; L791-Q794 CarbonylContact O-C 3.6Å; L791-Q794 WeakPolarHBondContact O-CA 3.34Å; L791-Q794 WeakPolarHBondContact O-CB 3.38Å; L791-Q794 PolarHBondContact O-N 3.39Å; L791-E795 PolarHBondContact O-N 2.92Å; L791-I796 CarbonylContact C-O 3.57Å; L791-I796 HydrophobicContact CB-CB 4.12Å; L791-I796 HydrophobicContact CB-CG2 4.36Å; L791-I796 WeakPolarHBondContact CB-O 3.31Å; L791-I796 HydrophobicContact CD1-CG2 4.43Å; L791-I796 PolarHBondContact O-N 3.04Å; L791-I796 VanDerWaalsContact O-N 3.08Å; L791-L798 HydrophobicContact CD1-CB 4.03Å; L791-L798 HydrophobicContact CD1-CD2 3.88Å; L791-L798 HydrophobicContact CD1-CG 4.45Å; L791-L834 HydrophobicContact CD1-CD2 3.61Å; L791-I838 HydrophobicContact CD2-CD1 3.94Å
792E88.8Confident90.7Very high107 Ų10769.4 Ų69.450%0.533%0.327SS..Hα-helixtrans-60.4-33.1174.5-71.3172.1-178.500112S788 H789 Q794 E795S788-E792 PolarHBondContact O-N 3.46Å; S788-E792 VanDerWaalsContact O-N 3.13Å; H789-E792 IonicContact CE1-OE2 3.8Å; H789-E792 PolarHBondContact CE1-OE2 2.87Å; H789-E792 IonicContact CG-OE2 2.78Å; H789-E792 IonicContact ND1-OE1 3.98Å; H789-E792 IonicContact ND1-OE2 3.8Å; H789-E792 PolarHBondContact ND1-OE2 3.04Å; H789-E792 WeakPolarHBondContact O-CB 2.97Å; H789-E792 PolarHBondContact O-N 3.19Å; E792-Q794 PolarHBondContact O-N 3.4Å; E792-Q794 VanDerWaalsContact O-N 3.15Å; E792-E795 WeakPolarHBondContact O-CA 3.49Å; E792-E795 PolarHBondContact O-N 3.07Å
793E86.1Confident90.9Very high183 Ų18373.1 Ų73.186%0.85535%0.348SS*.THydrogen-bonded Turntrans-60.5-22.1172.3-68.5-172.6170.100113.2L791L791-E793 PolarHBondContact O-N 3.43Å
794Q86.1Confident91Very high94 Ų9471.1 Ų71.144%0.43934%0.338SS..THydrogen-bonded Turntrans-100.89.8175.4-59.8-174.68.800112.3L791 E792 I796 P845L791-Q794 CarbonylContact O-C 3.6Å; L791-Q794 WeakPolarHBondContact O-CA 3.34Å; L791-Q794 WeakPolarHBondContact O-CB 3.38Å; L791-Q794 PolarHBondContact O-N 3.39Å; E792-Q794 PolarHBondContact O-N 3.4Å; E792-Q794 VanDerWaalsContact O-N 3.15Å; Q794-I796 HydrophobicContact CB-CD1 3.9Å; Q794-I796 HydrophobicContact CB-CG1 4.3Å; Q794-I796 PolarHBondContact O-N 3.35Å; Q794-P845 WeakPolarHBondContact O-CA 3.25Å
795E88.3Confident91.1Very high103 Ų10371.2 Ų71.248%0.48134%0.338SS..THydrogen-bonded Turntrans5732.9-174.3-53.4179178.100112.7L791 E792 P845 K846 T847L791-E795 PolarHBondContact O-N 2.92Å; E792-E795 WeakPolarHBondContact O-CA 3.49Å; E792-E795 PolarHBondContact O-N 3.07Å; E795-P845 HydrophobicContact CB-CB 4.23Å; E795-K846 HydrophobicContact CB-CG 4.29Å; E795-K846 WeakPolarHBondContact O-CA 3.37Å; E795-K846 PolarHBondContact O-N 3.24Å; E795-K846 VanDerWaalsContact OE2-CE 3.23Å; E795-K846 WeakPolarHBondContact OE2-CE 3.27Å; E795-K846 WeakPolarHBondContact OE2-CG 3.37Å; E795-T847 PolarHBondContact O-N 3.27Å
796I90.7Very high91.2Very high3 Ų366.8 Ų66.82%0.01532%0.32CS..EExtended strand (participates in β ladder)trans-110.8125.5178.8-64161.5000109.2L791 Q794 I838 V843 T847 V849L791-I796 CarbonylContact C-O 3.57Å; L791-I796 HydrophobicContact CB-CB 4.12Å; L791-I796 HydrophobicContact CB-CG2 4.36Å; L791-I796 WeakPolarHBondContact CB-O 3.31Å; L791-I796 HydrophobicContact CD1-CG2 4.43Å; L791-I796 PolarHBondContact O-N 3.04Å; L791-I796 VanDerWaalsContact O-N 3.08Å; Q794-I796 HydrophobicContact CB-CD1 3.9Å; Q794-I796 HydrophobicContact CB-CG1 4.3Å; Q794-I796 PolarHBondContact O-N 3.35Å; I796-I838 HydrophobicContact CD1-CD1 4.04Å; I796-I838 HydrophobicContact CD1-CG1 4.17Å; I796-V843 HydrophobicContact CD1-CG1 3.7Å; I796-V843 HydrophobicContact CG1-CG1 4.1Å; I796-V843 HydrophobicContact CG2-CG1 4.18Å; I796-T847 WeakPolarHBondContact CA-O 3.28Å; I796-V849 HydrophobicContact CG2-CG2 3.95Å
797Q90.8Very high91.4Very high93 Ų9362.4 Ų62.444%0.43530%0.298SS..EExtended strand (participates in β ladder)trans-94.7135.5171-67.6-179.9-3.400109.8T847 K848 V849 I865Q797-T847 PolarHBondContact N-O 3.42Å; Q797-K848 HydrophobicContact CB-CB 4.37Å; Q797-K848 HydrophobicContact CB-CG 4.25Å; Q797-K848 CarbonylContact O-C 3.59Å; Q797-K848 WeakPolarHBondContact O-CA 3.45Å; Q797-V849 PolarHBondContact O-N 3.45Å; Q797-I865 HydrophobicContact CB-CD1 4.21Å; Q797-I865 HydrophobicContact CG-CD1 3.8Å
798L93.4Very high91.5Very high4 Ų461.9 Ų61.92%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-124.3120.4-178.7-175.671.7000111.4V784 L787 S788 L791 L834 V849 I851V784-L798 HydrophobicContact CG1-CD2 3.98Å; V784-L798 HydrophobicContact CG1-CG 4.24Å; L787-L798 HydrophobicContact CB-CD2 4.31Å; L787-L798 HydrophobicContact CD2-CD2 3.58Å; L787-L798 HydrophobicContact CG-CD2 3.77Å; S788-L798 PolarHBondContact OG-N 3.07Å; S788-L798 PolarHBondContact OG-O 3.42Å; L791-L798 HydrophobicContact CD1-CB 4.03Å; L791-L798 HydrophobicContact CD1-CD2 3.88Å; L791-L798 HydrophobicContact CD1-CG 4.45Å; L798-L834 HydrophobicContact CD1-CD2 3.91Å; L798-L834 HydrophobicContact CD2-CD2 4Å; L798-V849 WeakPolarHBondContact CA-O 3.38Å; L798-V849 HydrophobicContact CD1-CB 3.86Å; L798-V849 HydrophobicContact CD1-CG1 3.8Å; L798-I851 HydrophobicContact CD1-CD1 3.77Å; L798-I851 HydrophobicContact CD1-CG1 3.78Å; L798-I851 HydrophobicContact CD2-CD1 4.05Å; L798-I851 HydrophobicContact CG-CD1 3.98Å; L798-I851 HydrophobicContact CG-CG1 4.48Å
799D93.1Very high91.4Very high73 Ų7361 Ų6139%0.3929%0.289SS..EExtended strand (participates in β ladder)trans-117.3160.1173.9-75.2-23.3000110.9K848 V849 I851D799-K848 WeakPolarHBondContact OD2-CE 2.78Å; D799-K848 IonicContact OD2-NZ 3.46Å; D799-K848 PolarHBondContact OD2-NZ 2.69Å; D799-V849 PolarHBondContact N-O 2.72Å; D799-I851 PolarHBondContact O-N 2.95Å
800I94.7Very high91.5Very high23 Ų2360.9 Ų60.912%0.11829%0.289CS..EExtended strand (participates in β ladder)trans-133.4135.1175.2-174.1168000110.6V780 V784 A804 K805 I808 I851V780-I800 HydrophobicContact CG1-CD1 4.31Å; V784-I800 HydrophobicContact CB-CG2 4.17Å; V784-I800 HydrophobicContact CG1-CB 4.14Å; V784-I800 HydrophobicContact CG1-CG2 3.92Å; V784-I800 HydrophobicContact CG2-CD1 4.1Å; V784-I800 HydrophobicContact CG2-CG2 4.32Å; I800-A804 HydrophobicContact CD1-CB 4.01Å; I800-A804 HydrophobicContact CG1-CB 3.64Å; I800-K805 HydrophobicContact CB-CG 4.41Å; I800-K805 HydrophobicContact CD1-CG 3.94Å; I800-K805 HydrophobicContact CG1-CG 3.9Å; I800-K805 HydrophobicContact CG2-CD 3.9Å; I800-K805 HydrophobicContact CG2-CG 3.72Å; I800-I808 HydrophobicContact CD1-CD1 3.64Å; I800-I851 HydrophobicContact CB-CB 4.13Å; I800-I851 HydrophobicContact CB-CD1 4.24Å; I800-I851 HydrophobicContact CD1-CB 4.47Å; I800-I851 HydrophobicContact CD1-CD1 4.48Å; I800-I851 HydrophobicContact CD1-CG2 4.22Å; I800-I851 HydrophobicContact CG1-CB 3.97Å; I800-I851 HydrophobicContact CG1-CG2 4.12Å
801T94.3Very high91.6Very high40 Ų4059 Ų5925%0.24529%0.285CS..  trans-77.2158.4178.861.10000112.6D803 A804 K805 I851 E852T801-D803 VanDerWaalsContact C-N 3.26Å; T801-D803 PolarHBondContact O-N 2.92Å; T801-A804 PolarHBondContact O-N 3.33Å; T801-A804 PolarHBondContact OG1-N 3.32Å; T801-K805 WeakPolarHBondContact O-CG 3.15Å; T801-K805 PolarHBondContact O-N 3.34Å; T801-I851 PolarHBondContact N-O 3.28Å; T801-I851 PolarHBondContact OG1-O 3.16Å; T801-E852 HydrophobicContact CG2-CG 3.81Å
802E92.8Very high91.4Very high113 Ų11358.7 Ų58.753%0.52828%0.284SS..Hα-helixtrans-57.6-37.8176.5-72.8-55.8144.900113.3K805 S806E802-K805 PolarHBondContact O-N 2.98Å; E802-K805 WeakPolarHBondContact OE1-CE 3.39Å; E802-K805 IonicContact OE1-NZ 3.83Å; E802-K805 PolarHBondContact OE1-NZ 3.22Å; E802-K805 WeakPolarHBondContact OE2-CE 3.42Å; E802-K805 IonicContact OE2-NZ 3.06Å; E802-S806 WeakPolarHBondContact O-CB 3.49Å; E802-S806 PolarHBondContact O-N 3.06Å; E802-S806 PolarHBondContact O-OG 3.09Å
803D93.1Very high91.4Very high115 Ų11555 Ų5562%0.61527%0.266SS*.Hα-helixtrans-66.2-42.5178.4-67.4-19.1000110.8T801 S806 W807 L853T801-D803 VanDerWaalsContact C-N 3.26Å; T801-D803 PolarHBondContact O-N 2.92Å; D803-S806 PolarHBondContact O-N 2.9Å; D803-W807 VanDerWaalsContact O-CB 3.31Å; D803-W807 WeakPolarHBondContact O-CB 3.41Å; D803-W807 PolarHBondContact O-N 3.31Å; D803-L853 HydrophobicContact CB-CB 4.37Å
804A93.2Very high91.4Very high0 Ų051.4 Ų51.40%025%0.249CC..Hα-helixtrans-66.2-42.1175.200000112I800 T801 S806 W807 I808 I851 L858I800-A804 HydrophobicContact CD1-CB 4.01Å; I800-A804 HydrophobicContact CG1-CB 3.64Å; T801-A804 PolarHBondContact O-N 3.33Å; T801-A804 PolarHBondContact OG1-N 3.32Å; A804-S806 VanDerWaalsContact C-N 3.35Å; A804-S806 PolarHBondContact O-N 2.95Å; A804-W807 PolarHBondContact O-N 2.97Å; A804-I808 VanDerWaalsContact O-CG1 3.31Å; A804-I808 WeakPolarHBondContact O-CG1 3.39Å; A804-I808 PolarHBondContact O-N 2.88Å; A804-I851 HydrophobicContact CB-CG2 4.29Å; A804-L858 HydrophobicContact CB-CD2 3.75Å
805K94.2Very high91.2Very high4 Ų450.2 Ų50.22%0.01725%0.249CC..Hα-helixtrans-58.5-47174-73.2-170.8-75.5-174.90111.4V780 E781 I800 T801 E802 I808 A809V780-K805 HydrophobicContact CG1-CG 4.38Å; E781-K805 HydrophobicContact CB-CD 3.74Å; E781-K805 HydrophobicContact CG-CD 4.25Å; E781-K805 IonicContact OE1-NZ 3.43Å; E781-K805 PolarHBondContact OE1-NZ 3.02Å; E781-K805 IonicContact OE2-NZ 2.76Å; E781-K805 PolarHBondContact OE2-NZ 2.95Å; I800-K805 HydrophobicContact CB-CG 4.41Å; I800-K805 HydrophobicContact CD1-CG 3.94Å; I800-K805 HydrophobicContact CG1-CG 3.9Å; I800-K805 HydrophobicContact CG2-CD 3.9Å; I800-K805 HydrophobicContact CG2-CG 3.72Å; T801-K805 WeakPolarHBondContact O-CG 3.15Å; T801-K805 PolarHBondContact O-N 3.34Å; E802-K805 PolarHBondContact O-N 2.98Å; E802-K805 WeakPolarHBondContact OE1-CE 3.39Å; E802-K805 IonicContact OE1-NZ 3.83Å; E802-K805 PolarHBondContact OE1-NZ 3.22Å; E802-K805 WeakPolarHBondContact OE2-CE 3.42Å; E802-K805 IonicContact OE2-NZ 3.06Å; K805-I808 PolarHBondContact O-N 3.32Å; K805-A809 WeakPolarHBondContact O-CB 3.41Å; K805-A809 PolarHBondContact O-N 3.45Å
806S93.1Very high91Very high18 Ų1851.5 Ų51.513%0.12626%0.255CS..Hα-helixtrans-61.6-44.9178.9-56.40000111.6K777 E802 D803 A804 A809 E810K777-S806 VanDerWaalsContact CE-OG 3.23Å; K777-S806 WeakPolarHBondContact CE-OG 3.14Å; K777-S806 PolarHBondContact NZ-OG 3.01Å; E802-S806 WeakPolarHBondContact O-CB 3.49Å; E802-S806 PolarHBondContact O-N 3.06Å; E802-S806 PolarHBondContact O-OG 3.09Å; D803-S806 PolarHBondContact O-N 2.9Å; A804-S806 VanDerWaalsContact C-N 3.35Å; A804-S806 PolarHBondContact O-N 2.95Å; S806-A809 PolarHBondContact O-N 2.83Å; S806-E810 WeakPolarHBondContact O-CB 3.47Å; S806-E810 WeakPolarHBondContact O-CG 3.23Å; S806-E810 PolarHBondContact O-N 3.08Å
807W94.5Very high90.8Very high25 Ų2557.1 Ų57.110%0.09528%0.277CS..Hα-helixtrans-62.7-44.8178.1-17689.9000112.8D803 A804 A809 E810 K811 F825 L853 D856 L858D803-W807 VanDerWaalsContact O-CB 3.31Å; D803-W807 WeakPolarHBondContact O-CB 3.41Å; D803-W807 PolarHBondContact O-N 3.31Å; A804-W807 PolarHBondContact O-N 2.97Å; W807-A809 VanDerWaalsContact C-N 3.34Å; W807-A809 PolarHBondContact O-N 2.89Å; W807-E810 PolarHBondContact O-N 3.25Å; W807-K811 HydrophobicContact CD2-CG 4.04Å; W807-K811 HydrophobicContact CG-CG 4.43Å; W807-K811 HydrophobicContact CZ2-CG 4.07Å; W807-K811 VanDerWaalsContact NE1-CE 3.28Å; W807-K811 WeakPolarHBondContact O-CB 3.06Å; W807-K811 VanDerWaalsContact O-CG 3.23Å; W807-K811 WeakPolarHBondContact O-CG 3.37Å; W807-K811 PolarHBondContact O-N 3.18Å; W807-F825 HydrophobicContact CE3-CE1 4.47Å; W807-F825 HydrophobicContact CH2-CE1 4.43Å; W807-F825 HydrophobicContact CH2-CZ 4.16Å; W807-F825 AromaticContact CZ3-CE1 3.8Å; W807-F825 HydrophobicContact CZ3-CE1 3.8Å; W807-F825 AromaticContact CZ3-CZ 3.97Å; W807-F825 HydrophobicContact CZ3-CZ 3.97Å; W807-L853 HydrophobicContact CB-CD1 3.98Å; W807-L853 HydrophobicContact CB-CD2 3.85Å; W807-L853 HydrophobicContact CB-CG 4.49Å; W807-L853 HydrophobicContact CD2-CD1 3.75Å; W807-L853 HydrophobicContact CE3-CD1 4.45Å; W807-L853 HydrophobicContact CG-CD1 3.49Å; W807-L853 VanDerWaalsContact CG-CD1 3.49Å; W807-L853 HydrophobicContact CG-CD2 3.98Å; W807-L853 HydrophobicContact CG-CG 4.38Å; W807-D856 VanDerWaalsContact CZ2-O 3.24Å; W807-D856 WeakPolarHBondContact CZ2-O 3.44Å; W807-D856 PolarHBondContact NE1-OD1 3.41Å; W807-L858 HydrophobicContact CE3-CD1 4.3Å; W807-L858 HydrophobicContact CE3-CD2 3.99Å; W807-L858 HydrophobicContact CE3-CG 4.03Å; W807-L858 HydrophobicContact CZ3-CD1 3.98Å; W807-L858 HydrophobicContact CZ3-CD2 4.31Å; W807-L858 HydrophobicContact CZ3-CG 3.83Å
808I93.2Very high90.6Very high0 Ų052.7 Ų52.70%026%0.257CS..Hα-helixtrans-61.2-46.3175.3-66.4171.8000109.9V780 I800 A804 K805 E810 K811 A812 F825 I826 V830 L858V780-I808 HydrophobicContact CB-CG2 4.47Å; V780-I808 HydrophobicContact CG1-CB 4.09Å; V780-I808 HydrophobicContact CG1-CD1 3.9Å; V780-I808 HydrophobicContact CG1-CG2 3.92Å; V780-I808 HydrophobicContact CG2-CB 4.29Å; V780-I808 HydrophobicContact CG2-CG2 3.62Å; I800-I808 HydrophobicContact CD1-CD1 3.64Å; A804-I808 VanDerWaalsContact O-CG1 3.31Å; A804-I808 WeakPolarHBondContact O-CG1 3.39Å; A804-I808 PolarHBondContact O-N 2.88Å; K805-I808 PolarHBondContact O-N 3.32Å; I808-E810 PolarHBondContact O-N 2.7Å; I808-K811 PolarHBondContact O-N 2.76Å; I808-A812 WeakPolarHBondContact O-CB 3.48Å; I808-A812 PolarHBondContact O-N 2.87Å; I808-F825 HydrophobicContact CG1-CE1 4.37Å; I808-F825 HydrophobicContact CG2-CD1 3.97Å; I808-F825 HydrophobicContact CG2-CE1 4.24Å; I808-I826 HydrophobicContact CG2-CG1 4.17Å; I808-V830 HydrophobicContact CD1-CG2 4.11Å; I808-L858 HydrophobicContact CD1-CD1 3.91Å; I808-L858 HydrophobicContact CG1-CD1 4.03Å
809A90.6Very high90.4Very high0 Ų053.6 Ų53.60%026%0.264CS..Hα-helixtrans-58.3-48.3178.700000111.4L773 V776 K777 K805 S806 W807 K811 Y813L773-A809 HydrophobicContact CD1-CB 4.19Å; L773-A809 HydrophobicContact CG-CB 4.34Å; V776-A809 HydrophobicContact CB-CB 4.2Å; V776-A809 HydrophobicContact CG1-CB 3.56Å; K777-A809 HydrophobicContact CG-CB 3.78Å; K805-A809 WeakPolarHBondContact O-CB 3.41Å; K805-A809 PolarHBondContact O-N 3.45Å; S806-A809 PolarHBondContact O-N 2.83Å; W807-A809 VanDerWaalsContact C-N 3.34Å; W807-A809 PolarHBondContact O-N 2.89Å; A809-K811 PolarHBondContact O-N 3.23Å; A809-Y813 WeakPolarHBondContact O-CB 3.22Å; A809-Y813 PolarHBondContact O-N 3.5Å
810E90.7Very high90.1Very high123 Ų12357.4 Ų57.458%0.57527%0.273SS*.Hα-helixtrans-66.2-38.1-179.1-72.9174-165.700113.6L773 S806 W807 I808L773-E810 HydrophobicContact CD1-CG 4.1Å; L773-E810 HydrophobicContact CD2-CG 4.09Å; S806-E810 WeakPolarHBondContact O-CB 3.47Å; S806-E810 WeakPolarHBondContact O-CG 3.23Å; S806-E810 PolarHBondContact O-N 3.08Å; W807-E810 PolarHBondContact O-N 3.25Å; I808-E810 PolarHBondContact O-N 2.7Å
811K90.7Very high89.8Confident104 Ų10458.2 Ų58.245%0.45228%0.28SS..Hα-helixtrans-83.3-28.2-176.7-62.6-73.4-173.1165.20113.3W807 I808 A809 F825 D856W807-K811 HydrophobicContact CD2-CG 4.04Å; W807-K811 HydrophobicContact CG-CG 4.43Å; W807-K811 HydrophobicContact CZ2-CG 4.07Å; W807-K811 VanDerWaalsContact NE1-CE 3.28Å; W807-K811 WeakPolarHBondContact O-CB 3.06Å; W807-K811 VanDerWaalsContact O-CG 3.23Å; W807-K811 WeakPolarHBondContact O-CG 3.37Å; W807-K811 PolarHBondContact O-N 3.18Å; I808-K811 PolarHBondContact O-N 2.76Å; A809-K811 PolarHBondContact O-N 3.23Å; K811-F825 HydrophobicContact CB-CE1 4.45Å; K811-F825 HydrophobicContact CB-CE2 4.04Å; K811-F825 HydrophobicContact CB-CZ 3.62Å; K811-D856 IonicContact NZ-OD1 3.63Å; K811-D856 PolarHBondContact NZ-OD1 2.87Å; K811-D856 IonicContact NZ-OD2 2.9Å; K811-D856 PolarHBondContact NZ-OD2 2.83Å; K811-D856 VanDerWaalsContact NZ-OD2 3.08Å
812A88.1Confident89.7Confident7 Ų756.3 Ų56.36%0.05827%0.268CS..Hα-helixtrans-103.1-21.2-172.900000113.8I808 L822 F825I808-A812 WeakPolarHBondContact O-CB 3.48Å; I808-A812 PolarHBondContact O-N 2.87Å; A812-L822 HydrophobicContact CB-CD2 3.71Å; A812-F825 HydrophobicContact CB-CB 3.76Å; A812-F825 HydrophobicContact CB-CD1 3.84Å; A812-F825 HydrophobicContact CB-CD2 3.69Å; A812-F825 HydrophobicContact CB-CE1 4.32Å; A812-F825 HydrophobicContact CB-CE2 4.2Å; A812-F825 HydrophobicContact CB-CG 3.49Å; A812-F825 VanDerWaalsContact CB-CG 3.49Å; A812-F825 HydrophobicContact CB-CZ 4.5Å
813Y88.1Confident89.5Confident30 Ų3058 Ų5812%0.11827%0.274CS..  trans-87.7120.5-176-175.2-127.6000112.5L771 V776 A809 P815L771-Y813 HydrophobicContact CB-CE2 4.21Å; L771-Y813 PolarHBondContact N-OH 3.27Å; L771-Y813 WeakPolarHBondContact O-CE1 3.29Å; L771-Y813 VanDerWaalsContact O-CZ 3.23Å; L771-Y813 PolarHBondContact O-OH 2.96Å; V776-Y813 HydrophobicContact CB-CG 4.44Å; V776-Y813 HydrophobicContact CG1-CG 4.27Å; V776-Y813 HydrophobicContact CG2-CD1 3.81Å; V776-Y813 HydrophobicContact CG2-CD2 3.48Å; V776-Y813 VanDerWaalsContact CG2-CD2 3.48Å; V776-Y813 HydrophobicContact CG2-CE1 4.01Å; V776-Y813 HydrophobicContact CG2-CE2 3.72Å; V776-Y813 HydrophobicContact CG2-CG 3.56Å; A809-Y813 WeakPolarHBondContact O-CB 3.22Å; A809-Y813 PolarHBondContact O-N 3.5Å; Y813-P815 HydrophobicContact CE1-CG 4.06Å
814E85.3Confident89.3Confident108 Ų10862.5 Ų62.551%0.50528%0.282SS..BIsolated β-bridgetrans-122.1120.1166.3-72.3-178.9-150.200107.7Q816 Y817 G818E814-Q816 PolarHBondContact O-N 2.96Å; E814-Y817 HydrophobicContact CB-CD2 3.9Å; E814-Y817 PolarHBondContact O-N 3.35Å; E814-Y817 WeakPolarHBondContact OE2-CD2 3.23Å; E814-Y817 VanDerWaalsContact OE2-CE2 3.22Å; E814-Y817 WeakPolarHBondContact OE2-CE2 3.24Å; E814-G818 PolarHBondContact O-N 3.4Å
815P83.4Confident89.3Confident68 Ų6863.7 Ų63.744%0.44229%0.287SS..THydrogen-bonded Turntrans-51.7-32.6-174.6-30.735000114.7L729 Y813 Y817 G818L729-P815 HydrophobicContact CD2-CB 4.01Å; L729-P815 WeakPolarHBondContact CD2-O 3.13Å; Y813-P815 HydrophobicContact CE1-CG 4.06Å; P815-Y817 VanDerWaalsContact C-N 3.28Å; P815-Y817 PolarHBondContact O-N 2.92Å; P815-G818 PolarHBondContact O-N 3.4Å
816Q83.3Confident89.2Confident130 Ų13063.5 Ų63.561%0.60729%0.287SS*.THydrogen-bonded Turntrans-64.6-28.3179.4-63.117812.800113.6E814E814-Q816 PolarHBondContact O-N 2.96Å
817Y85.5Confident89.2Confident122 Ų12265 Ų6548%0.47830%0.295SS..THydrogen-bonded Turntrans-106.1-6.7-177.2-59.7-64.5000113.5E814 P815 R820E814-Y817 HydrophobicContact CB-CD2 3.9Å; E814-Y817 PolarHBondContact O-N 3.35Å; E814-Y817 WeakPolarHBondContact OE2-CD2 3.23Å; E814-Y817 VanDerWaalsContact OE2-CE2 3.22Å; E814-Y817 WeakPolarHBondContact OE2-CE2 3.24Å; P815-Y817 VanDerWaalsContact C-N 3.28Å; P815-Y817 PolarHBondContact O-N 2.92Å; Y817-R820 WeakPolarHBondContact O-CB 3.42Å; Y817-R820 PolarHBondContact O-N 3.32Å
818G87.8Confident89.2Confident0 Ų070.8 Ų70.80%032%0.317CS..BIsolated β-bridgetrans59.2-146.5-175.700000112.2E814 P815 R820 P821E814-G818 PolarHBondContact O-N 3.4Å; P815-G818 PolarHBondContact O-N 3.4Å; G818-R820 PolarHBondContact O-N 2.76Å; G818-P821 VanDerWaalsContact O-CD 3.29Å; G818-P821 WeakPolarHBondContact O-CD 3.13Å
819A88Confident89.2Confident22 Ų2273.3 Ų73.318%0.18233%0.329CS..THydrogen-bonded Turntrans-75.7-2.5179.600000114.7G611 L771 I779 P821 L822G611-A819 WeakPolarHBondContact O-CB 3.4Å; G611-A819 PolarHBondContact O-N 2.9Å; L771-A819 HydrophobicContact CD1-CB 3.78Å; I779-A819 HydrophobicContact CD1-CB 3.89Å; I779-A819 HydrophobicContact CG2-CB 4.38Å; A819-P821 VanDerWaalsContact C-CD 3.49Å; A819-L822 HydrophobicContact CB-CD1 3.71Å; A819-L822 HydrophobicContact CB-CG 4.41Å; A819-L822 VanDerWaalsContact O-CB 3.3Å; A819-L822 WeakPolarHBondContact O-CB 3.47Å; A819-L822 WeakPolarHBondContact O-CG 3.44Å; A819-L822 PolarHBondContact O-N 3.47Å; A819-L822 VanDerWaalsContact O-N 3.12Å
820R86.9Confident89.3Confident154 Ų15473.3 Ų73.358%0.58133%0.329SS*.Hα-helixtrans-56.7-40.7-174.6-75.4179.3168-178.5-2.5114.5T610 Y817 G818 L822T610-R820 PolarHBondContact OG1-NE 2.84Å; T610-R820 PolarHBondContact OG1-NH1 3.48Å; T610-R820 PolarHBondContact OG1-NH2 3.04Å; Y817-R820 WeakPolarHBondContact O-CB 3.42Å; Y817-R820 PolarHBondContact O-N 3.32Å; G818-R820 PolarHBondContact O-N 2.76Å; R820-L822 VanDerWaalsContact C-N 3.27Å; R820-L822 PolarHBondContact O-N 3.35Å
821P90Very high89.5Confident39 Ų3969.4 Ų69.425%0.25331%0.31SS..Hα-helixtrans-68.6-23.5179.5-20.434.2000113.8G818 A819 K823 R824 F825G818-P821 VanDerWaalsContact O-CD 3.29Å; G818-P821 WeakPolarHBondContact O-CD 3.13Å; A819-P821 VanDerWaalsContact C-CD 3.49Å; P821-K823 PolarHBondContact O-N 3.15Å; P821-R824 PolarHBondContact O-N 3.31Å; P821-R824 VanDerWaalsContact O-N 3.14Å; P821-F825 PolarHBondContact O-N 2.89Å
822L91.3Very high89.6Confident0 Ų067.4 Ų67.40%031%0.307CS..Hα-helixtrans-56.6-46.6-170.5-64.9177.1000112.6V776 I779 V780 I783 A812 A819 R820 R824 F825 I826V776-L822 HydrophobicContact CG1-CD1 3.96Å; V776-L822 HydrophobicContact CG1-CD2 3.89Å; I779-L822 HydrophobicContact CB-CD1 4.11Å; I779-L822 HydrophobicContact CG2-CD1 3.64Å; V780-L822 HydrophobicContact CG2-CD1 4.41Å; V780-L822 HydrophobicContact CG2-CD2 4.07Å; I783-L822 HydrophobicContact CD1-CB 4.09Å; A812-L822 HydrophobicContact CB-CD2 3.71Å; A819-L822 HydrophobicContact CB-CD1 3.71Å; A819-L822 HydrophobicContact CB-CG 4.41Å; A819-L822 VanDerWaalsContact O-CB 3.3Å; A819-L822 WeakPolarHBondContact O-CB 3.47Å; A819-L822 WeakPolarHBondContact O-CG 3.44Å; A819-L822 PolarHBondContact O-N 3.47Å; A819-L822 VanDerWaalsContact O-N 3.12Å; R820-L822 VanDerWaalsContact C-N 3.27Å; R820-L822 PolarHBondContact O-N 3.35Å; L822-R824 VanDerWaalsContact C-N 3.34Å; L822-R824 PolarHBondContact O-N 3.2Å; L822-F825 PolarHBondContact O-N 2.65Å; L822-F825 VanDerWaalsContact O-N 3.16Å; L822-I826 WeakPolarHBondContact O-CB 3.5Å; L822-I826 WeakPolarHBondContact O-CG1 3.24Å; L822-I826 PolarHBondContact O-N 2.77Å
823K87.9Confident89.9Confident149 Ų14968.8 Ų68.865%0.64832%0.316SS*.Hα-helixtrans-60.3-44.3-178.9-170.3172.1-176.7173.50111.6P821 F825 T827P821-K823 PolarHBondContact O-N 3.15Å; K823-F825 VanDerWaalsContact C-N 3.34Å; K823-T827 WeakPolarHBondContact O-CB 3.38Å; K823-T827 PolarHBondContact O-N 2.94Å; K823-T827 PolarHBondContact O-OG1 3.47Å
824R89.2Confident90Very high210 Ų21067.5 Ų67.579%0.79231%0.311SS*.Hα-helixtrans-66-38.7177.5-69.1-179.1178.5167.4-0.2111.8P821 L822 R828P821-R824 PolarHBondContact O-N 3.31Å; P821-R824 VanDerWaalsContact O-N 3.14Å; L822-R824 VanDerWaalsContact C-N 3.34Å; L822-R824 PolarHBondContact O-N 3.2Å; R824-R828 WeakPolarHBondContact O-CB 3.49Å; R824-R828 PolarHBondContact O-N 3.49Å; R824-R828 VanDerWaalsContact O-N 3.08Å
825F93Very high90.3Very high24 Ų2464.8 Ų64.811%0.10531%0.307CS..Hα-helixtrans-66.1-48.2178.5-166-84.7000111.1W807 I808 K811 A812 P821 L822 K823 T827 R828 E829W807-F825 HydrophobicContact CE3-CE1 4.47Å; W807-F825 HydrophobicContact CH2-CE1 4.43Å; W807-F825 HydrophobicContact CH2-CZ 4.16Å; W807-F825 AromaticContact CZ3-CE1 3.8Å; W807-F825 HydrophobicContact CZ3-CE1 3.8Å; W807-F825 AromaticContact CZ3-CZ 3.97Å; W807-F825 HydrophobicContact CZ3-CZ 3.97Å; I808-F825 HydrophobicContact CG1-CE1 4.37Å; I808-F825 HydrophobicContact CG2-CD1 3.97Å; I808-F825 HydrophobicContact CG2-CE1 4.24Å; K811-F825 HydrophobicContact CB-CE1 4.45Å; K811-F825 HydrophobicContact CB-CE2 4.04Å; K811-F825 HydrophobicContact CB-CZ 3.62Å; A812-F825 HydrophobicContact CB-CB 3.76Å; A812-F825 HydrophobicContact CB-CD1 3.84Å; A812-F825 HydrophobicContact CB-CD2 3.69Å; A812-F825 HydrophobicContact CB-CE1 4.32Å; A812-F825 HydrophobicContact CB-CE2 4.2Å; A812-F825 HydrophobicContact CB-CG 3.49Å; A812-F825 VanDerWaalsContact CB-CG 3.49Å; A812-F825 HydrophobicContact CB-CZ 4.5Å; P821-F825 PolarHBondContact O-N 2.89Å; L822-F825 PolarHBondContact O-N 2.65Å; L822-F825 VanDerWaalsContact O-N 3.16Å; K823-F825 VanDerWaalsContact C-N 3.34Å; F825-T827 PolarHBondContact O-N 2.69Å; F825-R828 VanDerWaalsContact CE2-NH2 3.34Å; F825-R828 PolarHBondContact O-N 2.85Å; F825-R828 VanDerWaalsContact O-N 3.1Å; F825-E829 HydrophobicContact CD1-CB 4.36Å; F825-E829 HydrophobicContact CD1-CG 3.81Å; F825-E829 HydrophobicContact CE1-CB 4.18Å; F825-E829 HydrophobicContact CE1-CG 3.51Å; F825-E829 HydrophobicContact CE2-CG 4.33Å; F825-E829 HydrophobicContact CG-CG 4.35Å; F825-E829 HydrophobicContact CZ-CG 3.79Å; F825-E829 WeakPolarHBondContact O-CG 3.41Å; F825-E829 PolarHBondContact O-N 2.95Å
826I93.3Very high90.8Very high1 Ų167.9 Ų67.91%0.00531%0.313CS..Hα-helixtrans-62.7-41.5175.8-67169.8000110.8V780 I783 I808 L822 R828 V830 E831V780-I826 HydrophobicContact CG1-CD1 4.22Å; V780-I826 HydrophobicContact CG2-CD1 4.42Å; I783-I826 HydrophobicContact CB-CD1 3.74Å; I783-I826 HydrophobicContact CD1-CD1 3.83Å; I783-I826 HydrophobicContact CG1-CD1 4.4Å; I783-I826 HydrophobicContact CG2-CB 4.42Å; I783-I826 HydrophobicContact CG2-CD1 3.59Å; I783-I826 HydrophobicContact CG2-CG2 4.05Å; I808-I826 HydrophobicContact CG2-CG1 4.17Å; L822-I826 WeakPolarHBondContact O-CB 3.5Å; L822-I826 WeakPolarHBondContact O-CG1 3.24Å; L822-I826 PolarHBondContact O-N 2.77Å; I826-R828 PolarHBondContact O-N 3.47Å; I826-V830 HydrophobicContact CG2-CB 3.94Å; I826-V830 HydrophobicContact CG2-CG2 4.17Å; I826-V830 CarbonylContact O-C 3.37Å; I826-V830 VanDerWaalsContact O-CA 3.28Å; I826-V830 WeakPolarHBondContact O-CA 3.43Å; I826-V830 VanDerWaalsContact O-CB 3.24Å; I826-V830 WeakPolarHBondContact O-CB 3.46Å; I826-V830 PolarHBondContact O-N 2.82Å; I826-E831 PolarHBondContact O-N 3.17Å
827T92.6Very high91.2Very high50 Ų5063.7 Ų63.731%0.30729%0.293SS..Iπ-helixtrans-58.1-38.9173.8-64.80000112K823 F825 E831 T832K823-T827 WeakPolarHBondContact O-CB 3.38Å; K823-T827 PolarHBondContact O-N 2.94Å; K823-T827 PolarHBondContact O-OG1 3.47Å; F825-T827 PolarHBondContact O-N 2.69Å; T827-E831 WeakPolarHBondContact CA-OE2 3.34Å; T827-E831 VanDerWaalsContact CB-OE2 3.26Å; T827-E831 WeakPolarHBondContact CB-OE2 3.23Å; T827-E831 WeakPolarHBondContact CG2-OE2 3.38Å; T827-E831 PolarHBondContact OG1-OE2 3.15Å; T827-T832 WeakPolarHBondContact O-CB 3.45Å; T827-T832 PolarHBondContact O-N 3.26Å; T827-T832 PolarHBondContact O-OG1 2.95Å
828R93.9Very high91.4Very high145 Ų14559.8 Ų59.855%0.54728%0.28SS..Iπ-helixtrans-78.3-44.7-177.8-169.9-179.471.2-143.5-4.8113.5R824 F825 I826 P833R824-R828 WeakPolarHBondContact O-CB 3.49Å; R824-R828 PolarHBondContact O-N 3.49Å; R824-R828 VanDerWaalsContact O-N 3.08Å; F825-R828 VanDerWaalsContact CE2-NH2 3.34Å; F825-R828 PolarHBondContact O-N 2.85Å; F825-R828 VanDerWaalsContact O-N 3.1Å; I826-R828 PolarHBondContact O-N 3.47Å; R828-P833 VanDerWaalsContact O-CD 3.25Å; R828-P833 WeakPolarHBondContact O-CD 3.31Å
829E93.4Very high91.4Very high54 Ų5467 Ų6725%0.25232%0.317SS..Iπ-helixtrans-94.8-19.7-172.8-56.5-55.5149.100113.3F825 P833 L858F825-E829 HydrophobicContact CD1-CB 4.36Å; F825-E829 HydrophobicContact CD1-CG 3.81Å; F825-E829 HydrophobicContact CE1-CB 4.18Å; F825-E829 HydrophobicContact CE1-CG 3.51Å; F825-E829 HydrophobicContact CE2-CG 4.33Å; F825-E829 HydrophobicContact CG-CG 4.35Å; F825-E829 HydrophobicContact CZ-CG 3.79Å; F825-E829 WeakPolarHBondContact O-CG 3.41Å; F825-E829 PolarHBondContact O-N 2.95Å; E829-P833 WeakPolarHBondContact O-CG 3.31Å; E829-L858 HydrophobicContact CB-CD1 4.06Å
830V93.7Very high91.5Very high0 Ų068.8 Ų68.80%033%0.332CS..Iπ-helixtrans-118.1-62.5-177.8-175.90000111.7L787 I808 I826 T832 P833 L834 I851 L858 F860L787-V830 HydrophobicContact CD2-CG1 4.04Å; I808-V830 HydrophobicContact CD1-CG2 4.11Å; I826-V830 HydrophobicContact CG2-CB 3.94Å; I826-V830 HydrophobicContact CG2-CG2 4.17Å; I826-V830 CarbonylContact O-C 3.37Å; I826-V830 VanDerWaalsContact O-CA 3.28Å; I826-V830 WeakPolarHBondContact O-CA 3.43Å; I826-V830 VanDerWaalsContact O-CB 3.24Å; I826-V830 WeakPolarHBondContact O-CB 3.46Å; I826-V830 PolarHBondContact O-N 2.82Å; V830-T832 PolarHBondContact O-N 3.04Å; V830-P833 WeakPolarHBondContact O-CD 3.41Å; V830-L834 WeakPolarHBondContact O-CB 3.34Å; V830-L834 PolarHBondContact O-N 2.52Å; V830-I851 HydrophobicContact CG1-CD1 3.44Å; V830-I851 VanDerWaalsContact CG1-CD1 3.44Å; V830-I851 HydrophobicContact CG1-CG1 4.37Å; V830-L858 HydrophobicContact CG2-CD1 3.68Å; V830-F860 HydrophobicContact CG1-CE1 4.27Å
831E93.5Very high91.5Very high40 Ų4063.3 Ų63.319%0.18732%0.324CS..Iπ-helixtrans-64.6-46.8-172.8-61.4-178.3147.300112.1L787 R790 I826 T827 L834 A835L787-E831 HydrophobicContact CD1-CG 4.04Å; L787-E831 HydrophobicContact CD2-CG 3.72Å; L787-E831 HydrophobicContact CG-CG 4.49Å; R790-E831 IonicContact CZ-OE1 3.12Å; R790-E831 IonicContact NH1-OE1 3.35Å; R790-E831 IonicContact NH2-OE1 2.95Å; R790-E831 PolarHBondContact NH2-OE1 2.99Å; I826-E831 PolarHBondContact O-N 3.17Å; T827-E831 WeakPolarHBondContact CA-OE2 3.34Å; T827-E831 VanDerWaalsContact CB-OE2 3.26Å; T827-E831 WeakPolarHBondContact CB-OE2 3.23Å; T827-E831 WeakPolarHBondContact CG2-OE2 3.38Å; T827-E831 PolarHBondContact OG1-OE2 3.15Å; E831-L834 PolarHBondContact O-N 3.14Å; E831-A835 VanDerWaalsContact O-CB 3.24Å; E831-A835 WeakPolarHBondContact O-CB 3.22Å; E831-A835 PolarHBondContact O-N 2.95Å
832T93.9Very high91.3Very high62 Ų6268.5 Ų68.538%0.3834%0.339SS..Hα-helixtrans-66.5-45.4-177.4-58.10000112.1T827 V830 K836T827-T832 WeakPolarHBondContact O-CB 3.45Å; T827-T832 PolarHBondContact O-N 3.26Å; T827-T832 PolarHBondContact O-OG1 2.95Å; V830-T832 PolarHBondContact O-N 3.04Å; T832-K836 WeakPolarHBondContact O-CG 3.23Å; T832-K836 PolarHBondContact O-N 2.84Å
833P93Very high91.2Very high37 Ų3768.7 Ų68.724%0.2434%0.34CS..Hα-helixtrans-64-43.6173.5-28.140.5000112.8R828 E829 V830 A835 K836 E837 F860R828-P833 VanDerWaalsContact O-CD 3.25Å; R828-P833 WeakPolarHBondContact O-CD 3.31Å; E829-P833 WeakPolarHBondContact O-CG 3.31Å; V830-P833 WeakPolarHBondContact O-CD 3.41Å; P833-A835 PolarHBondContact O-N 2.88Å; P833-K836 WeakPolarHBondContact O-CB 3.32Å; P833-K836 PolarHBondContact O-N 2.97Å; P833-K836 VanDerWaalsContact O-N 3.09Å; P833-E837 PolarHBondContact O-N 2.64Å; P833-F860 HydrophobicContact CB-CE2 3.5Å; P833-F860 HydrophobicContact CB-CZ 3.78Å
834L91.9Very high91.2Very high3 Ų366.6 Ų66.62%0.01633%0.334CS..Hα-helixtrans-61.1-44177.5-176.860.1000111.8L787 L791 L798 V830 E831 K836 E837 I838 V843 V849 F860L787-L834 HydrophobicContact CD2-CD2 4.46Å; L791-L834 HydrophobicContact CD1-CD2 3.61Å; L798-L834 HydrophobicContact CD1-CD2 3.91Å; L798-L834 HydrophobicContact CD2-CD2 4Å; V830-L834 WeakPolarHBondContact O-CB 3.34Å; V830-L834 PolarHBondContact O-N 2.52Å; E831-L834 PolarHBondContact O-N 3.14Å; L834-K836 VanDerWaalsContact C-N 3.26Å; L834-K836 PolarHBondContact O-N 3.27Å; L834-E837 PolarHBondContact O-N 2.85Å; L834-I838 HydrophobicContact CG-CD1 4.15Å; L834-I838 WeakPolarHBondContact O-CG1 3.04Å; L834-I838 PolarHBondContact O-N 2.87Å; L834-V843 HydrophobicContact CD1-CG2 4.32Å; L834-V849 HydrophobicContact CD1-CG1 4.09Å; L834-F860 HydrophobicContact CB-CD1 4.35Å; L834-F860 HydrophobicContact CB-CE1 3.84Å; L834-F860 HydrophobicContact CB-CZ 4.2Å; L834-F860 HydrophobicContact CD1-CD1 3.88Å; L834-F860 HydrophobicContact CD1-CE1 4.22Å; L834-F860 HydrophobicContact CD1-CG 4.48Å; L834-F860 HydrophobicContact CG-CE1 4.48Å
835A91.1Very high91.1Very high50 Ų5060.5 Ų60.541%0.41332%0.321SS..Hα-helixtrans-58.8-37.2175.100000112.2E831 P833 I839E831-A835 VanDerWaalsContact O-CB 3.24Å; E831-A835 WeakPolarHBondContact O-CB 3.22Å; E831-A835 PolarHBondContact O-N 2.95Å; P833-A835 PolarHBondContact O-N 2.88Å; A835-I839 WeakPolarHBondContact O-CB 3.42Å; A835-I839 VanDerWaalsContact O-CG1 3.27Å; A835-I839 WeakPolarHBondContact O-CG1 3.4Å; A835-I839 PolarHBondContact O-N 2.91Å
836K93.2Very high90.9Very high134 Ų13464.3 Ų64.358%0.58334%0.338SS*.Hα-helixtrans-66.8-38.8174-71172.3-177.5175.50112.1T832 P833 L834 A840T832-K836 WeakPolarHBondContact O-CG 3.23Å; T832-K836 PolarHBondContact O-N 2.84Å; P833-K836 WeakPolarHBondContact O-CB 3.32Å; P833-K836 PolarHBondContact O-N 2.97Å; P833-K836 VanDerWaalsContact O-N 3.09Å; L834-K836 VanDerWaalsContact C-N 3.26Å; L834-K836 PolarHBondContact O-N 3.27Å; K836-A840 WeakPolarHBondContact O-CB 3.25Å; K836-A840 PolarHBondContact O-N 3.3Å
837E91.5Very high90.8Very high41 Ų4164.9 Ų64.919%0.19234%0.341CS..Hα-helixtrans-66.2-39.1176.9-66.8-56.4134.700112.1P833 L834 G841 R842 V843 F860P833-E837 PolarHBondContact O-N 2.64Å; L834-E837 PolarHBondContact O-N 2.85Å; E837-G841 PolarHBondContact O-N 2.82Å; E837-R842 VanDerWaalsContact CD-CZ 3.44Å; E837-R842 VanDerWaalsContact CD-NH2 3.32Å; E837-R842 PolarHBondContact O-N 2.87Å; E837-R842 IonicContact OE1-CZ 3.25Å; E837-R842 IonicContact OE1-NE 3.57Å; E837-R842 IonicContact OE1-NH1 3.37Å; E837-R842 PolarHBondContact OE1-NH1 3.42Å; E837-R842 IonicContact OE1-NH2 3.73Å; E837-R842 PolarHBondContact OE1-NH2 3.44Å; E837-R842 VanDerWaalsContact OE2-CB 3.32Å; E837-R842 WeakPolarHBondContact OE2-CB 3.28Å; E837-R842 WeakPolarHBondContact OE2-CD 3.43Å; E837-R842 IonicContact OE2-CZ 3.73Å; E837-R842 IonicContact OE2-NE 2.69Å; E837-R842 PolarHBondContact OE2-NE 3.43Å; E837-R842 IonicContact OE2-NH1 3.3Å; E837-R842 PolarHBondContact OE2-NH1 3.18Å; E837-R842 IonicContact OE2-NH2 2.78Å; E837-R842 PolarHBondContact OE2-NH2 3.47Å; E837-V843 HydrophobicContact CB-CG2 3.87Å; E837-V843 PolarHBondContact O-N 3.46Å; E837-F860 HydrophobicContact CG-CD2 4.41Å
838I89.4Confident90.7Very high40 Ų4066.2 Ų66.221%0.20534%0.343CS..Hα-helixtrans-64-51.6174.2-65.1167.4000110.4L791 I796 L834 A840 G841 V843L791-I838 HydrophobicContact CD2-CD1 3.94Å; I796-I838 HydrophobicContact CD1-CD1 4.04Å; I796-I838 HydrophobicContact CD1-CG1 4.17Å; L834-I838 HydrophobicContact CG-CD1 4.15Å; L834-I838 WeakPolarHBondContact O-CG1 3.04Å; L834-I838 PolarHBondContact O-N 2.87Å; I838-A840 VanDerWaalsContact C-N 3.28Å; I838-A840 PolarHBondContact O-N 3.04Å; I838-G841 PolarHBondContact O-N 2.79Å; I838-V843 HydrophobicContact CG1-CB 3.86Å; I838-V843 HydrophobicContact CG1-CG1 3.89Å
839I89.6Confident90.6Very high151 Ų15159.3 Ų59.377%0.77432%0.317SS*.Hα-helixtrans-64.9-31.9-179.8-67.1-66.6000112.3A835 G841A835-I839 WeakPolarHBondContact O-CB 3.42Å; A835-I839 VanDerWaalsContact O-CG1 3.27Å; A835-I839 WeakPolarHBondContact O-CG1 3.4Å; A835-I839 PolarHBondContact O-N 2.91Å; I839-G841 PolarHBondContact O-N 3.36Å
840A89.6Confident90.6Very high60 Ų6058 Ų5850%0.49631%0.314SS..THydrogen-bonded Turntrans-73-6173.800000113.4K836 I838 R842K836-A840 WeakPolarHBondContact O-CB 3.25Å; K836-A840 PolarHBondContact O-N 3.3Å; I838-A840 VanDerWaalsContact C-N 3.28Å; I838-A840 PolarHBondContact O-N 3.04Å; A840-R842 VanDerWaalsContact C-N 3.29Å; A840-R842 PolarHBondContact O-N 3.34Å
841G85.7Confident90.7Very high40 Ų4058 Ų5841%0.41231%0.314SS..THydrogen-bonded Turntrans72.118.8-177.800000114.1E837 I838 I839E837-G841 PolarHBondContact O-N 2.82Å; I838-G841 PolarHBondContact O-N 2.79Å; I839-G841 PolarHBondContact O-N 3.36Å
842R87.1Confident90.7Very high147 Ų14758.7 Ų58.756%0.55532%0.317SS*.SBendtrans-85.3-36.5176.2-76.1-175.9-84.9170.110.3111.4E837 A840 N862E837-R842 VanDerWaalsContact CD-CZ 3.44Å; E837-R842 VanDerWaalsContact CD-NH2 3.32Å; E837-R842 PolarHBondContact O-N 2.87Å; E837-R842 IonicContact OE1-CZ 3.25Å; E837-R842 IonicContact OE1-NE 3.57Å; E837-R842 IonicContact OE1-NH1 3.37Å; E837-R842 PolarHBondContact OE1-NH1 3.42Å; E837-R842 IonicContact OE1-NH2 3.73Å; E837-R842 PolarHBondContact OE1-NH2 3.44Å; E837-R842 VanDerWaalsContact OE2-CB 3.32Å; E837-R842 WeakPolarHBondContact OE2-CB 3.28Å; E837-R842 WeakPolarHBondContact OE2-CD 3.43Å; E837-R842 IonicContact OE2-CZ 3.73Å; E837-R842 IonicContact OE2-NE 2.69Å; E837-R842 PolarHBondContact OE2-NE 3.43Å; E837-R842 IonicContact OE2-NH1 3.3Å; E837-R842 PolarHBondContact OE2-NH1 3.18Å; E837-R842 IonicContact OE2-NH2 2.78Å; E837-R842 PolarHBondContact OE2-NH2 3.47Å; A840-R842 VanDerWaalsContact C-N 3.29Å; A840-R842 PolarHBondContact O-N 3.34Å; R842-N862 PolarHBondContact O-ND2 2.85Å
843V88.5Confident90.7Very high5 Ų558.7 Ų58.73%0.0331%0.314CS..SBendtrans-99.6121.7166.6176.70000107.7I796 L834 E837 I838 V849I796-V843 HydrophobicContact CD1-CG1 3.7Å; I796-V843 HydrophobicContact CG1-CG1 4.1Å; I796-V843 HydrophobicContact CG2-CG1 4.18Å; L834-V843 HydrophobicContact CD1-CG2 4.32Å; E837-V843 HydrophobicContact CB-CG2 3.87Å; E837-V843 PolarHBondContact O-N 3.46Å; I838-V843 HydrophobicContact CG1-CB 3.86Å; I838-V843 HydrophobicContact CG1-CG1 3.89Å; V843-V849 HydrophobicContact CG1-CG2 3.69Å; V843-V849 HydrophobicContact CG2-CG2 3.99Å
844M88.7Confident90.6Very high105 Ų10563.9 Ų63.952%0.51733%0.333SS..  trans-119.9165.1-175.8-66.3-69.1-79.500109.5T847M844-T847 WeakPolarHBondContact O-CB 3.32Å; M844-T847 VanDerWaalsContact O-CG2 3.25Å; M844-T847 WeakPolarHBondContact O-CG2 3.48Å; M844-T847 PolarHBondContact O-OG1 3.32Å
845P87.4Confident90.4Very high81 Ų8170.6 Ų70.653%0.52637%0.369SS..SBendtrans-53.5151.1171.2-26.335.7000112.5Q794 E795Q794-P845 WeakPolarHBondContact O-CA 3.25Å; E795-P845 HydrophobicContact CB-CB 4.23Å
846K87.7Confident90.2Very high104 Ų10472.6 Ų72.645%0.45237%0.373SS..SBendtrans61.339.8-173.9-52.1-171.8175.6-170.20113.8E795 I865 E867E795-K846 HydrophobicContact CB-CG 4.29Å; E795-K846 WeakPolarHBondContact O-CA 3.37Å; E795-K846 PolarHBondContact O-N 3.24Å; E795-K846 VanDerWaalsContact OE2-CE 3.23Å; E795-K846 WeakPolarHBondContact OE2-CE 3.27Å; E795-K846 WeakPolarHBondContact OE2-CG 3.37Å; K846-I865 PolarHBondContact O-N 3.19Å; K846-E867 IonicContact NZ-OE1 3.56Å
847T90.4Very high89.9Confident14 Ų1472.8 Ų72.89%0.08638%0.376CS..EExtended strand (participates in β ladder)trans-119.7143.9174.260.60000111.7E795 I796 Q797 M844 Q863E795-T847 PolarHBondContact O-N 3.27Å; I796-T847 WeakPolarHBondContact CA-O 3.28Å; Q797-T847 PolarHBondContact N-O 3.42Å; M844-T847 WeakPolarHBondContact O-CB 3.32Å; M844-T847 VanDerWaalsContact O-CG2 3.25Å; M844-T847 WeakPolarHBondContact O-CG2 3.48Å; M844-T847 PolarHBondContact O-OG1 3.32Å; T847-Q863 CarbonylContact C-O 3.54Å; T847-Q863 VanDerWaalsContact CA-O 3.28Å; T847-Q863 WeakPolarHBondContact CA-O 3.34Å
848K91.5Very high89.9Confident78 Ų7871.9 Ų71.934%0.33937%0.372SS..EExtended strand (participates in β ladder)trans-98.9119.8168.3-178.3170.5179.1160.40108.4Q797 D799 N862 Q863 I865Q797-K848 HydrophobicContact CB-CB 4.37Å; Q797-K848 HydrophobicContact CB-CG 4.25Å; Q797-K848 CarbonylContact O-C 3.59Å; Q797-K848 WeakPolarHBondContact O-CA 3.45Å; D799-K848 WeakPolarHBondContact OD2-CE 2.78Å; D799-K848 IonicContact OD2-NZ 3.46Å; D799-K848 PolarHBondContact OD2-NZ 2.69Å; K848-N862 CarbonylContact O-C 3.58Å; K848-N862 WeakPolarHBondContact O-CA 3.38Å; K848-Q863 PolarHBondContact N-O 2.69Å; K848-Q863 PolarHBondContact O-N 3.12Å; K848-I865 HydrophobicContact CB-CD1 4.23Å; K848-I865 HydrophobicContact CB-CG1 3.87Å
849V92.6Very high90Very high0 Ų072.3 Ų72.30%038%0.376CS..EExtended strand (participates in β ladder)trans-105.2120.1179.5-177.80000109I796 Q797 L798 D799 L834 V843 F860 Q861 N862I796-V849 HydrophobicContact CG2-CG2 3.95Å; Q797-V849 PolarHBondContact O-N 3.45Å; L798-V849 WeakPolarHBondContact CA-O 3.38Å; L798-V849 HydrophobicContact CD1-CB 3.86Å; L798-V849 HydrophobicContact CD1-CG1 3.8Å; D799-V849 PolarHBondContact N-O 2.72Å; L834-V849 HydrophobicContact CD1-CG1 4.09Å; V843-V849 HydrophobicContact CG1-CG2 3.69Å; V843-V849 HydrophobicContact CG2-CG2 3.99Å; V849-F860 HydrophobicContact CG1-CB 3.89Å; V849-F860 HydrophobicContact CG1-CD1 3.94Å; V849-F860 HydrophobicContact CG1-CG 4.41Å; V849-Q861 CarbonylContact C-O 3.52Å; V849-Q861 VanDerWaalsContact CA-O 3.32Å; V849-Q861 WeakPolarHBondContact CA-O 3.29Å; V849-N862 HydrophobicContact CG2-CB 4.44Å
850S93.4Very high90.1Very high27 Ų2766.9 Ų66.919%0.18935%0.348CS..EExtended strand (participates in β ladder)trans-100.4120.9171.7-177.40000109.1E852 Q861S850-E852 PolarHBondContact OG-OE1 2.76Å; S850-Q861 PolarHBondContact N-O 3.26Å; S850-Q861 PolarHBondContact O-N 2.89Å
851I94.8Very high90.1Very high0 Ų068.5 Ų68.50%035%0.345CS..EExtended strand (participates in β ladder)trans-81.5114.7171.3-57.8162.1000107.7V784 L798 D799 I800 T801 A804 V830 L858 F860V784-I851 HydrophobicContact CG1-CD1 4.05Å; L798-I851 HydrophobicContact CD1-CD1 3.77Å; L798-I851 HydrophobicContact CD1-CG1 3.78Å; L798-I851 HydrophobicContact CD2-CD1 4.05Å; L798-I851 HydrophobicContact CG-CD1 3.98Å; L798-I851 HydrophobicContact CG-CG1 4.48Å; D799-I851 PolarHBondContact O-N 2.95Å; I800-I851 HydrophobicContact CB-CB 4.13Å; I800-I851 HydrophobicContact CB-CD1 4.24Å; I800-I851 HydrophobicContact CD1-CB 4.47Å; I800-I851 HydrophobicContact CD1-CD1 4.48Å; I800-I851 HydrophobicContact CD1-CG2 4.22Å; I800-I851 HydrophobicContact CG1-CB 3.97Å; I800-I851 HydrophobicContact CG1-CG2 4.12Å; T801-I851 PolarHBondContact N-O 3.28Å; T801-I851 PolarHBondContact OG1-O 3.16Å; A804-I851 HydrophobicContact CB-CG2 4.29Å; V830-I851 HydrophobicContact CG1-CD1 3.44Å; V830-I851 VanDerWaalsContact CG1-CD1 3.44Å; V830-I851 HydrophobicContact CG1-CG1 4.37Å; I851-L858 HydrophobicContact CG2-CB 4.3Å; I851-L858 HydrophobicContact CG2-CD1 4.31Å; I851-L858 HydrophobicContact CG2-CD2 4.09Å; I851-L858 HydrophobicContact CG2-CG 4.47Å; I851-F860 HydrophobicContact CG1-CD1 4.02Å; I851-F860 HydrophobicContact CG1-CE1 3.92Å
852E94.1Very high90.1Very high54 Ų5470.5 Ų70.525%0.25235%0.346SS..EExtended strand (participates in β ladder)trans-122158.3-178-59.7-174.9179.800111.5T801 S850 L858 V859 Q861T801-E852 HydrophobicContact CG2-CG 3.81Å; S850-E852 PolarHBondContact OG-OE1 2.76Å; E852-L858 CarbonylContact O-C 3.53Å; E852-L858 WeakPolarHBondContact O-CA 3.44Å; E852-V859 HydrophobicContact CB-CG2 4.03Å; E852-V859 PolarHBondContact N-O 2.86Å; E852-V859 PolarHBondContact O-N 2.79Å; E852-Q861 VanDerWaalsContact OE2-CD 3.27Å; E852-Q861 PolarHBondContact OE2-NE2 3.49Å
853L93.2Very high90.1Very high61 Ų6169.8 Ų69.832%0.31935%0.349SS..EExtended strand (participates in β ladder)trans-97.3120.6174-175.169.7000109.7D803 W807 L858D803-L853 HydrophobicContact CB-CB 4.37Å; W807-L853 HydrophobicContact CB-CD1 3.98Å; W807-L853 HydrophobicContact CB-CD2 3.85Å; W807-L853 HydrophobicContact CB-CG 4.49Å; W807-L853 HydrophobicContact CD2-CD1 3.75Å; W807-L853 HydrophobicContact CE3-CD1 4.45Å; W807-L853 HydrophobicContact CG-CD1 3.49Å; W807-L853 VanDerWaalsContact CG-CD1 3.49Å; W807-L853 HydrophobicContact CG-CD2 3.98Å; W807-L853 HydrophobicContact CG-CG 4.38Å; L853-L858 HydrophobicContact CD1-CD2 4.23Å
854F90.8Very high89.8Confident147 Ų14773.3 Ų73.365%0.64538%0.378SS*.EExtended strand (participates in β ladder)trans-137.2124.8173.4-172.7-95.1000110.1D856 Q857 V859F854-D856 PolarHBondContact O-N 3.4Å; F854-Q857 PolarHBondContact N-O 3.39Å; F854-Q857 PolarHBondContact O-N 3.44Å; F854-V859 HydrophobicContact CB-CG1 4.07Å; F854-V859 HydrophobicContact CB-CG2 3.72Å
855D87.7Confident89.2Confident143 Ų14371 Ų7177%0.76537%0.368SS*.THydrogen-bonded Turntrans51.648.9179.1-158.627.1000114.4Q857D855-Q857 PolarHBondContact O-N 3.15Å; D855-Q857 VanDerWaalsContact O-N 3.15Å
856D86.8Confident88.4Confident93 Ų9374.3 Ų74.350%0.49738%0.381SS..THydrogen-bonded Turntrans58.921.2-177.1-153.248.1000113.8W807 K811 F854W807-D856 VanDerWaalsContact CZ2-O 3.24Å; W807-D856 WeakPolarHBondContact CZ2-O 3.44Å; W807-D856 PolarHBondContact NE1-OD1 3.41Å; K811-D856 IonicContact NZ-OD1 3.63Å; K811-D856 PolarHBondContact NZ-OD1 2.87Å; K811-D856 IonicContact NZ-OD2 2.9Å; K811-D856 PolarHBondContact NZ-OD2 2.83Å; K811-D856 VanDerWaalsContact NZ-OD2 3.08Å; F854-D856 PolarHBondContact O-N 3.4Å
857Q87.6Confident86.7Confident138 Ų13880.9 Ų80.965%0.64541%0.413SS*.EExtended strand (participates in β ladder)trans-130.4147.6175.7-64.5-173.70.400111.5F854 D855F854-Q857 PolarHBondContact N-O 3.39Å; F854-Q857 PolarHBondContact O-N 3.44Å; D855-Q857 PolarHBondContact O-N 3.15Å; D855-Q857 VanDerWaalsContact O-N 3.15Å
858L91.3Very high86.5Confident22 Ų2284.2 Ų84.212%0.11543%0.429CS..EExtended strand (participates in β ladder)trans-79.2127.7173.1-62.5179.2000109.9A804 W807 I808 E829 V830 I851 E852 L853A804-L858 HydrophobicContact CB-CD2 3.75Å; W807-L858 HydrophobicContact CE3-CD1 4.3Å; W807-L858 HydrophobicContact CE3-CD2 3.99Å; W807-L858 HydrophobicContact CE3-CG 4.03Å; W807-L858 HydrophobicContact CZ3-CD1 3.98Å; W807-L858 HydrophobicContact CZ3-CD2 4.31Å; W807-L858 HydrophobicContact CZ3-CG 3.83Å; I808-L858 HydrophobicContact CD1-CD1 3.91Å; I808-L858 HydrophobicContact CG1-CD1 4.03Å; E829-L858 HydrophobicContact CB-CD1 4.06Å; V830-L858 HydrophobicContact CG2-CD1 3.68Å; I851-L858 HydrophobicContact CG2-CB 4.3Å; I851-L858 HydrophobicContact CG2-CD1 4.31Å; I851-L858 HydrophobicContact CG2-CD2 4.09Å; I851-L858 HydrophobicContact CG2-CG 4.47Å; E852-L858 CarbonylContact O-C 3.53Å; E852-L858 WeakPolarHBondContact O-CA 3.44Å; L853-L858 HydrophobicContact CD1-CD2 4.23Å
859V91.2Very high86.3Confident48 Ų4884.5 Ų84.529%0.29143%0.434SS..EExtended strand (participates in β ladder)trans-119.5149.2176.8-64.50000110.2E852 F854E852-V859 HydrophobicContact CB-CG2 4.03Å; E852-V859 PolarHBondContact N-O 2.86Å; E852-V859 PolarHBondContact O-N 2.79Å; F854-V859 HydrophobicContact CB-CG1 4.07Å; F854-V859 HydrophobicContact CB-CG2 3.72Å
860F92Very high85.9Confident38 Ų3889.2 Ų89.217%0.16746%0.458CS..EExtended strand (participates in β ladder)trans-108.9108.1-177.4-56.3-88.7000108.5V830 P833 L834 E837 V849 I851V830-F860 HydrophobicContact CG1-CE1 4.27Å; P833-F860 HydrophobicContact CB-CE2 3.5Å; P833-F860 HydrophobicContact CB-CZ 3.78Å; L834-F860 HydrophobicContact CB-CD1 4.35Å; L834-F860 HydrophobicContact CB-CE1 3.84Å; L834-F860 HydrophobicContact CB-CZ 4.2Å; L834-F860 HydrophobicContact CD1-CD1 3.88Å; L834-F860 HydrophobicContact CD1-CE1 4.22Å; L834-F860 HydrophobicContact CD1-CG 4.48Å; L834-F860 HydrophobicContact CG-CE1 4.48Å; E837-F860 HydrophobicContact CG-CD2 4.41Å; V849-F860 HydrophobicContact CG1-CB 3.89Å; V849-F860 HydrophobicContact CG1-CD1 3.94Å; V849-F860 HydrophobicContact CG1-CG 4.41Å; I851-F860 HydrophobicContact CG1-CD1 4.02Å; I851-F860 HydrophobicContact CG1-CE1 3.92Å
861Q89Confident85.5Confident94 Ų9492.9 Ų92.944%0.43947%0.474SS..EExtended strand (participates in β ladder)trans-91.8122.3171.5-66-155.622.100109.4V849 S850 E852V849-Q861 CarbonylContact C-O 3.52Å; V849-Q861 VanDerWaalsContact CA-O 3.32Å; V849-Q861 WeakPolarHBondContact CA-O 3.29Å; S850-Q861 PolarHBondContact N-O 3.26Å; S850-Q861 PolarHBondContact O-N 2.89Å; E852-Q861 VanDerWaalsContact OE2-CD 3.27Å; E852-Q861 PolarHBondContact OE2-NE2 3.49Å
862N86.4Confident84.9Confident82 Ų8298.7 Ų98.744%0.43950%0.504SS..EExtended strand (participates in β ladder)trans-105.3134178.559.6-29000111.1R842 K848 V849R842-N862 PolarHBondContact O-ND2 2.85Å; K848-N862 CarbonylContact O-C 3.58Å; K848-N862 WeakPolarHBondContact O-CA 3.38Å; V849-N862 HydrophobicContact CG2-CB 4.44Å
863Q86.2Confident84.3Confident132 Ų132101.7 Ų101.762%0.61752%0.521SS*.EExtended strand (participates in β ladder)trans-123.6140.2170.4-68-179.9-1.600108.7T847 K848T847-Q863 CarbonylContact C-O 3.54Å; T847-Q863 VanDerWaalsContact CA-O 3.28Å; T847-Q863 WeakPolarHBondContact CA-O 3.34Å; K848-Q863 PolarHBondContact N-O 2.69Å; K848-Q863 PolarHBondContact O-N 3.12Å
864A82.1Confident83.6Confident78 Ų78104.6 Ų104.665%0.64554%0.535SS*.EExtended strand (participates in β ladder)trans-66.4136.2170.500000109D866A864-D866 PolarHBondContact O-N 3.37Å
865I77.9Confident83.1Confident57 Ų57101.3 Ų101.329%0.29253%0.526SS..  trans-82.3106.3172-59.1169.1000105.8Q797 K846 K848Q797-I865 HydrophobicContact CB-CD1 4.21Å; Q797-I865 HydrophobicContact CG-CD1 3.8Å; K846-I865 PolarHBondContact O-N 3.19Å; K848-I865 HydrophobicContact CB-CD1 4.23Å; K848-I865 HydrophobicContact CB-CG1 3.87Å
866D68.9Low82.7Confident150 Ų15097.8 Ų97.880%0.80251%0.507SS*.  trans-65.4133.9165.4-74-30.5000107.9A864A864-D866 PolarHBondContact O-N 3.37Å
867E52.8Low82.3Confident242 Ų24298.3 Ų98.3100%1.13151%0.507SS*.  trans-47.10-174.9-81.9-177.4165.500115.5K846K846-E867 IonicContact NZ-OE1 3.56Å

Retrieved 867 of 867 residues in 572.5 ms (Link to these results)

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