A0A096NFD5_PAPAN Loading...

Dolichyl-phosphate beta-glucosyltransferase

AlphaFold DB , UniProt , Accession A0A096NFD5, Species PAPAN (Papio anubis, Olive baboon), Gene ALG5, Length 324 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
1M72.7Confident87.2Confident193 Ų193108.3 Ų108.395%0.95160%0.602SS**  0-52.60-157.7163.770.100112.4L3 L4 L5M1-L3 PolarHBondContact O-N 2.9Å; M1-L4 PolarHBondContact O-N 3.18Å; M1-L5 HydrophobicContact CG-CD1 4.4Å; M1-L5 PolarHBondContact O-N 3.11Å; M1-L5 VanDerWaalsContact O-N 3.14Å
2A81.6Confident87.5Confident81 Ų81102.5 Ų102.567%0.66959%0.586SS**Hα-helixtrans-59.9-41.2179.300000114.8L5 L6A2-L5 PolarHBondContact O-N 3.11Å; A2-L6 WeakPolarHBondContact O-CB 3.48Å; A2-L6 PolarHBondContact O-N 2.88Å
3L85.6Confident87.8Confident119 Ų11999.3 Ų99.362%0.62358%0.579SS**Hα-helixtrans-65.1-39.7178.9-169.471.4000112.8M1 L6 Q7M1-L3 PolarHBondContact O-N 2.9Å; L3-L6 PolarHBondContact O-N 3.32Å; L3-Q7 WeakPolarHBondContact O-CG 3.49Å; L3-Q7 PolarHBondContact O-N 3.22Å
4L86.9Confident88Confident108 Ų10896.3 Ų96.357%0.56557%0.572SS**Hα-helixtrans-67-42.4176.6-176.668.2000111.2M1 L6 Q7 L8M1-L4 PolarHBondContact O-N 3.18Å; L4-L6 VanDerWaalsContact C-N 3.32Å; L4-L6 PolarHBondContact O-N 3.07Å; L4-Q7 PolarHBondContact O-N 3.21Å; L4-L8 HydrophobicContact CG-CD1 4.25Å; L4-L8 WeakPolarHBondContact O-CB 3.49Å; L4-L8 VanDerWaalsContact O-CG 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.22Å; L4-L8 PolarHBondContact O-N 2.78Å
5L87.4Confident88.4Confident109 Ų10997.2 Ų97.257%0.57157%0.572SS**Hα-helixtrans-61.4-40.8174.7-73.5169.5000111.7M1 A2 L8 A9M1-L5 HydrophobicContact CG-CD1 4.4Å; M1-L5 PolarHBondContact O-N 3.11Å; M1-L5 VanDerWaalsContact O-N 3.14Å; A2-L5 PolarHBondContact O-N 3.11Å; L5-L8 PolarHBondContact O-N 3.4Å; L5-A9 WeakPolarHBondContact O-CB 3.48Å; L5-A9 PolarHBondContact O-N 2.89Å
6L89.9Confident88.4Confident108 Ų10895.1 Ų95.157%0.56557%0.569SS**Hα-helixtrans-65.4-44.6175.9-175.964.4000111.8A2 L3 L4 L8 A9 V10A2-L6 WeakPolarHBondContact O-CB 3.48Å; A2-L6 PolarHBondContact O-N 2.88Å; L3-L6 PolarHBondContact O-N 3.32Å; L4-L6 VanDerWaalsContact C-N 3.32Å; L4-L6 PolarHBondContact O-N 3.07Å; L6-L8 PolarHBondContact O-N 3.34Å; L6-A9 PolarHBondContact O-N 2.97Å; L6-V10 VanDerWaalsContact O-CG2 3.3Å; L6-V10 WeakPolarHBondContact O-CG2 3.46Å; L6-V10 PolarHBondContact O-N 2.93Å
7Q89.4Confident88.5Confident117 Ų11792.6 Ų92.655%0.54756%0.561SS.*Hα-helixtrans-62.2-42176.7-75.6176.2-17.900112.2L3 L4 V10 L11L3-Q7 WeakPolarHBondContact O-CG 3.49Å; L3-Q7 PolarHBondContact O-N 3.22Å; L4-Q7 PolarHBondContact O-N 3.21Å; Q7-V10 PolarHBondContact O-N 3Å; Q7-L11 WeakPolarHBondContact O-CB 3.28Å; Q7-L11 PolarHBondContact O-N 3.05Å
8L91.2Very high88.7Confident100 Ų10090.8 Ų90.852%0.52456%0.558SS.*Hα-helixtrans-64.4-40174.7-71.7171.6000111.8L4 L5 L6 G12L4-L8 HydrophobicContact CG-CD1 4.25Å; L4-L8 WeakPolarHBondContact O-CB 3.49Å; L4-L8 VanDerWaalsContact O-CG 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.22Å; L4-L8 PolarHBondContact O-N 2.78Å; L5-L8 PolarHBondContact O-N 3.4Å; L6-L8 PolarHBondContact O-N 3.34Å; L8-G12 PolarHBondContact O-N 3.23Å
9A90.2Very high88.8Confident64 Ų6488.3 Ų88.353%0.52955%0.547SS..Hα-helixtrans-64.6-43175.800000112.1L5 L6 G12 A13L5-A9 WeakPolarHBondContact O-CB 3.48Å; L5-A9 PolarHBondContact O-N 2.89Å; L6-A9 PolarHBondContact O-N 2.97Å; A9-G12 PolarHBondContact O-N 2.8Å; A9-A13 WeakPolarHBondContact O-CB 3.46Å; A9-A13 PolarHBondContact O-N 2.91Å
10V91.8Very high88.8Confident91 Ų9188.6 Ų88.655%0.55254%0.544SS*.Hα-helixtrans-65.4-45177.1171.90000111.2L6 Q7 G12 A13 A14L6-V10 VanDerWaalsContact O-CG2 3.3Å; L6-V10 WeakPolarHBondContact O-CG2 3.46Å; L6-V10 PolarHBondContact O-N 2.93Å; Q7-V10 PolarHBondContact O-N 3Å; V10-G12 VanDerWaalsContact C-N 3.34Å; V10-G12 PolarHBondContact O-N 3.4Å; V10-A13 PolarHBondContact O-N 3.46Å; V10-A14 WeakPolarHBondContact O-CB 3.23Å; V10-A14 PolarHBondContact O-N 2.7Å
11L92.9Very high88.8Confident101 Ų10188.9 Ų88.953%0.52955%0.546SS..Hα-helixtrans-61.4-43.8175.7-178.265.5000111.1Q7 A13 A14 L15Q7-L11 WeakPolarHBondContact O-CB 3.28Å; Q7-L11 PolarHBondContact O-N 3.05Å; L11-A13 PolarHBondContact O-N 3.07Å; L11-A14 PolarHBondContact O-N 2.91Å; L11-L15 HydrophobicContact CD1-CD1 4.49Å; L11-L15 HydrophobicContact CD1-CG 4.49Å; L11-L15 HydrophobicContact CG-CD1 4.16Å; L11-L15 WeakPolarHBondContact O-CB 3.24Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 3.12Å
12G90.8Very high89.7Confident39 Ų3985.1 Ų85.140%0.40253%0.529SS..Hα-helixtrans-59.6-44.3175.600000112.5L8 A9 V10 L15 A16L8-G12 PolarHBondContact O-N 3.23Å; A9-G12 PolarHBondContact O-N 2.8Å; V10-G12 VanDerWaalsContact C-N 3.34Å; V10-G12 PolarHBondContact O-N 3.4Å; G12-L15 PolarHBondContact O-N 3.03Å; G12-A16 WeakPolarHBondContact O-CB 3.04Å; G12-A16 PolarHBondContact O-N 2.64Å
13A90.4Very high90.1Very high61 Ų6184.4 Ų84.450%0.50451%0.513SS..Hα-helixtrans-64-42.2176.100000112.2A9 V10 L11 A16 A17A9-A13 WeakPolarHBondContact O-CB 3.46Å; A9-A13 PolarHBondContact O-N 2.91Å; V10-A13 PolarHBondContact O-N 3.46Å; L11-A13 PolarHBondContact O-N 3.07Å; A13-A16 PolarHBondContact O-N 2.68Å; A13-A17 WeakPolarHBondContact O-CB 3.37Å; A13-A17 PolarHBondContact O-N 3.22Å
14A91.8Very high90.2Very high57 Ų5779.8 Ų79.847%0.47149%0.491SS..Hα-helixtrans-63.8-43.5177.300000112V10 L11 A17 A18V10-A14 WeakPolarHBondContact O-CB 3.23Å; V10-A14 PolarHBondContact O-N 2.7Å; L11-A14 PolarHBondContact O-N 2.91Å; A14-A17 PolarHBondContact O-N 3.41Å; A14-A18 WeakPolarHBondContact O-CB 3.3Å; A14-A18 PolarHBondContact O-N 3.49Å
15L93.1Very high90.3Very high110 Ų11078 Ų7858%0.57649%0.485SS*.Hα-helixtrans-63.9-41.7175.8-72172.6000111.9L11 G12 A18 A19L11-L15 HydrophobicContact CD1-CD1 4.49Å; L11-L15 HydrophobicContact CD1-CG 4.49Å; L11-L15 HydrophobicContact CG-CD1 4.16Å; L11-L15 WeakPolarHBondContact O-CB 3.24Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 3.12Å; G12-L15 PolarHBondContact O-N 3.03Å; L15-A18 PolarHBondContact O-N 2.89Å; L15-A19 WeakPolarHBondContact O-CB 3.47Å; L15-A19 PolarHBondContact O-N 3.46Å
16A88.8Confident90.3Very high63 Ų6375.9 Ų75.952%0.52148%0.476SS..Hα-helixtrans-63.4-41.7175.900000111.9G12 A13 A19 L20G12-A16 WeakPolarHBondContact O-CB 3.04Å; G12-A16 PolarHBondContact O-N 2.64Å; A13-A16 PolarHBondContact O-N 2.68Å; A16-A19 PolarHBondContact O-N 3.21Å; A16-L20 WeakPolarHBondContact O-CB 3.27Å; A16-L20 PolarHBondContact O-N 2.91Å
17A89.8Confident90.1Very high54 Ų5470.8 Ų70.845%0.44645%0.449SS..Hα-helixtrans-64.4-45.8175.700000111.8A13 A14 A19 L20 V21A13-A17 WeakPolarHBondContact O-CB 3.37Å; A13-A17 PolarHBondContact O-N 3.22Å; A14-A17 PolarHBondContact O-N 3.41Å; A17-A19 VanDerWaalsContact C-N 3.33Å; A17-A19 PolarHBondContact O-N 2.75Å; A17-L20 PolarHBondContact O-N 2.98Å; A17-V21 WeakPolarHBondContact O-CG2 3.39Å; A17-V21 PolarHBondContact O-N 3.38Å
18A91.8Very high90Very high60 Ų6069.8 Ų69.850%0.49644%0.443SS..Hα-helixtrans-60.9-42.2176.400000111.8A14 L15 V21 L22A14-A18 WeakPolarHBondContact O-CB 3.3Å; A14-A18 PolarHBondContact O-N 3.49Å; L15-A18 PolarHBondContact O-N 2.89Å; A18-V21 PolarHBondContact O-N 2.9Å; A18-L22 WeakPolarHBondContact O-CB 3.2Å; A18-L22 PolarHBondContact O-N 3.04Å
19A90.4Very high89.8Confident43 Ų4369.6 Ų69.636%0.35544%0.441SS..Hα-helixtrans-62.4-43.1174.400000111.8L15 A16 A17 V21 L22 I23L15-A19 WeakPolarHBondContact O-CB 3.47Å; L15-A19 PolarHBondContact O-N 3.46Å; A16-A19 PolarHBondContact O-N 3.21Å; A17-A19 VanDerWaalsContact C-N 3.33Å; A17-A19 PolarHBondContact O-N 2.75Å; A19-V21 PolarHBondContact O-N 3.2Å; A19-L22 PolarHBondContact O-N 3.32Å; A19-I23 WeakPolarHBondContact O-CB 3.06Å; A19-I23 WeakPolarHBondContact O-CD1 3.43Å; A19-I23 WeakPolarHBondContact O-CG1 3.28Å; A19-I23 PolarHBondContact O-N 3.11Å
20L89Confident89.5Confident93 Ų9369 Ų6949%0.48743%0.431SS..Hα-helixtrans-63.7-41.4177.6-176.164.9000112A16 A17 I23 S24A16-L20 WeakPolarHBondContact O-CB 3.27Å; A16-L20 PolarHBondContact O-N 2.91Å; A17-L20 PolarHBondContact O-N 2.98Å; L20-I23 PolarHBondContact O-N 3.38Å; L20-S24 WeakPolarHBondContact O-CB 3.3Å; L20-S24 PolarHBondContact O-N 3.01Å; L20-S24 PolarHBondContact O-OG 3.48Å
21V89.6Confident89Confident95 Ų9565 Ų6558%0.57641%0.408SS*.Hα-helixtrans-61.9-48.8174.3171.90000110.1A17 A18 A19 I23 S24 V25A17-V21 WeakPolarHBondContact O-CG2 3.39Å; A17-V21 PolarHBondContact O-N 3.38Å; A18-V21 PolarHBondContact O-N 2.9Å; A19-V21 PolarHBondContact O-N 3.2Å; V21-I23 PolarHBondContact O-N 3.41Å; V21-S24 WeakPolarHBondContact O-CB 3.39Å; V21-S24 PolarHBondContact O-N 3Å; V21-S24 VanDerWaalsContact O-N 3.16Å; V21-V25 HydrophobicContact CG1-CG2 4.42Å; V21-V25 WeakPolarHBondContact O-CG2 3.41Å; V21-V25 PolarHBondContact O-N 2.87Å
22L91.4Very high87.7Confident115 Ų11565.2 Ų65.260%0.60241%0.413SS*.Hα-helixtrans-58.7-47.1178-179.963.2000111.6A18 A19 S24 V25 V26A18-L22 WeakPolarHBondContact O-CB 3.2Å; A18-L22 PolarHBondContact O-N 3.04Å; A19-L22 PolarHBondContact O-N 3.32Å; L22-S24 VanDerWaalsContact C-N 3.3Å; L22-S24 PolarHBondContact O-N 3.24Å; L22-V25 PolarHBondContact O-N 3.45Å; L22-V26 HydrophobicContact CD1-CG2 4.5Å; L22-V26 VanDerWaalsContact O-CG2 3.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.3Å; L22-V26 PolarHBondContact O-N 3.34Å
23I90.3Very high86.3Confident65 Ų6571.7 Ų71.733%0.33343%0.431SS..Hα-helixtrans-62.2-39.8177.7-67.2163.6000110.6A19 L20 V21 V26 A27 L304 F305 L308A19-I23 WeakPolarHBondContact O-CB 3.06Å; A19-I23 WeakPolarHBondContact O-CD1 3.43Å; A19-I23 WeakPolarHBondContact O-CG1 3.28Å; A19-I23 PolarHBondContact O-N 3.11Å; L20-I23 PolarHBondContact O-N 3.38Å; V21-I23 PolarHBondContact O-N 3.41Å; I23-V26 PolarHBondContact O-N 2.84Å; I23-A27 VanDerWaalsContact O-CB 3.26Å; I23-A27 WeakPolarHBondContact O-CB 3.37Å; I23-A27 PolarHBondContact O-N 2.89Å; I23-L304 HydrophobicContact CG2-CD2 4.04Å; I23-F305 HydrophobicContact CG2-CE1 4.22Å; I23-L308 HydrophobicContact CG2-CD1 3.68Å
24S87.3Confident84.8Confident23 Ų2371.7 Ų71.716%0.16142%0.421CS..Hα-helixtrans-65.5-42.1177.6-58.30000112L20 V21 L22 A27 F28L20-S24 WeakPolarHBondContact O-CB 3.3Å; L20-S24 PolarHBondContact O-N 3.01Å; L20-S24 PolarHBondContact O-OG 3.48Å; V21-S24 WeakPolarHBondContact O-CB 3.39Å; V21-S24 PolarHBondContact O-N 3Å; V21-S24 VanDerWaalsContact O-N 3.16Å; L22-S24 VanDerWaalsContact C-N 3.3Å; L22-S24 PolarHBondContact O-N 3.24Å; S24-A27 PolarHBondContact O-N 2.95Å; S24-F28 WeakPolarHBondContact O-CB 3.43Å; S24-F28 PolarHBondContact O-N 2.89Å
25V88.6Confident82.9Confident71 Ų7173 Ų7343%0.4342%0.424SS..Hα-helixtrans-62.4-46.5174.4170.90000110.6V21 L22 A27 F28 I29V21-V25 HydrophobicContact CG1-CG2 4.42Å; V21-V25 WeakPolarHBondContact O-CG2 3.41Å; V21-V25 PolarHBondContact O-N 2.87Å; L22-V25 PolarHBondContact O-N 3.45Å; V25-A27 VanDerWaalsContact C-N 3.35Å; V25-A27 PolarHBondContact O-N 3.14Å; V25-F28 PolarHBondContact O-N 2.64Å; V25-I29 HydrophobicContact CG1-CD1 3.6Å; V25-I29 HydrophobicContact CG1-CG1 4.36Å; V25-I29 WeakPolarHBondContact O-CG1 3.4Å; V25-I29 PolarHBondContact O-N 3.31Å
26V87.9Confident81.4Confident64 Ų6471.8 Ų71.839%0.38843%0.43SS..Hα-helixtrans-60.3-45.3175.21710000110.8L22 I23 F28 T30 F305L22-V26 HydrophobicContact CD1-CG2 4.5Å; L22-V26 VanDerWaalsContact O-CG2 3.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.3Å; L22-V26 PolarHBondContact O-N 3.34Å; I23-V26 PolarHBondContact O-N 2.84Å; V26-F28 VanDerWaalsContact C-N 3.32Å; V26-F28 PolarHBondContact O-N 3.16Å; V26-T30 HydrophobicContact CG1-CG2 4.18Å; V26-T30 VanDerWaalsContact O-CB 3.3Å; V26-T30 WeakPolarHBondContact O-CB 3.14Å; V26-T30 WeakPolarHBondContact O-CG2 3.36Å; V26-T30 PolarHBondContact O-N 2.83Å; V26-T30 PolarHBondContact O-OG1 3.32Å; V26-F305 HydrophobicContact CG1-CZ 4.47Å
27A86.7Confident80.5Confident0 Ų072.4 Ų72.40%042%0.424CS..Hα-helixtrans-60.2-42.3178.700000111.6I23 S24 V25 T30 A31 F305 L308 R309I23-A27 VanDerWaalsContact O-CB 3.26Å; I23-A27 WeakPolarHBondContact O-CB 3.37Å; I23-A27 PolarHBondContact O-N 2.89Å; S24-A27 PolarHBondContact O-N 2.95Å; V25-A27 VanDerWaalsContact C-N 3.35Å; V25-A27 PolarHBondContact O-N 3.14Å; A27-T30 PolarHBondContact O-OG1 3.13Å; A27-A31 VanDerWaalsContact O-CB 3.31Å; A27-A31 WeakPolarHBondContact O-CB 3.22Å; A27-A31 PolarHBondContact O-N 3.12Å; A27-A31 VanDerWaalsContact O-N 3.07Å; A27-F305 HydrophobicContact CB-CD2 4.41Å; A27-F305 HydrophobicContact CB-CE2 4.44Å; A27-F305 HydrophobicContact CB-CG 4.48Å; A27-L308 HydrophobicContact CB-CB 4.06Å; A27-L308 HydrophobicContact CB-CD1 4.3Å; A27-R309 HydrophobicContact CB-CG 4.17Å; A27-R309 PolarHBondContact O-NE 2.99Å; A27-R309 VanDerWaalsContact O-NE 3.07Å
28F86.8Confident79.8Confident97 Ų9775.1 Ų75.143%0.42543%0.428SS..Hα-helixtrans-66.6-52.8178.1-173-87.5000112.2S24 V25 V26 T30 A31 A314S24-F28 WeakPolarHBondContact O-CB 3.43Å; S24-F28 PolarHBondContact O-N 2.89Å; V25-F28 PolarHBondContact O-N 2.64Å; V26-F28 VanDerWaalsContact C-N 3.32Å; V26-F28 PolarHBondContact O-N 3.16Å; F28-T30 VanDerWaalsContact C-N 3.28Å; F28-T30 PolarHBondContact O-N 3.14Å; F28-A31 WeakPolarHBondContact O-CB 3.25Å; F28-A31 PolarHBondContact O-N 3.34Å; F28-A314 HydrophobicContact CB-CB 4.46Å; F28-A314 HydrophobicContact CD2-CB 3.46Å; F28-A314 VanDerWaalsContact CD2-CB 3.46Å; F28-A314 HydrophobicContact CE2-CB 3.87Å; F28-A314 HydrophobicContact CG-CB 4.12Å
29I85.9Confident79.5Confident95 Ų9575.3 Ų75.349%0.48742%0.416SS..Hα-helixtrans-64.2-34.4-178.1-65.9171.9000111.4V25 T32V25-I29 HydrophobicContact CG1-CD1 3.6Å; V25-I29 HydrophobicContact CG1-CG1 4.36Å; V25-I29 WeakPolarHBondContact O-CG1 3.4Å; V25-I29 PolarHBondContact O-N 3.31Å; I29-T32 PolarHBondContact O-OG1 2.93Å
30T84Confident79.4Confident52 Ų5275.2 Ų75.232%0.31941%0.408SS..Hα-helixtrans-79.6-23.7178.258.40000113V26 A27 F28 T32 K33 R309V26-T30 HydrophobicContact CG1-CG2 4.18Å; V26-T30 VanDerWaalsContact O-CB 3.3Å; V26-T30 WeakPolarHBondContact O-CB 3.14Å; V26-T30 WeakPolarHBondContact O-CG2 3.36Å; V26-T30 PolarHBondContact O-N 2.83Å; V26-T30 PolarHBondContact O-OG1 3.32Å; A27-T30 PolarHBondContact O-OG1 3.13Å; F28-T30 VanDerWaalsContact C-N 3.28Å; F28-T30 PolarHBondContact O-N 3.14Å; T30-T32 VanDerWaalsContact C-N 3.34Å; T30-T32 PolarHBondContact O-N 2.7Å; T30-K33 PolarHBondContact O-N 3.3Å; T30-R309 PolarHBondContact OG1-NH2 2.97Å
31A82.1Confident79.4Confident6 Ų676.4 Ų76.45%0.0541%0.411CS..Hα-helixtrans-64.2-38.3179.100000112.6A27 F28 K33 M34 R309 A314A27-A31 VanDerWaalsContact O-CB 3.31Å; A27-A31 WeakPolarHBondContact O-CB 3.22Å; A27-A31 PolarHBondContact O-N 3.12Å; A27-A31 VanDerWaalsContact O-N 3.07Å; F28-A31 WeakPolarHBondContact O-CB 3.25Å; F28-A31 PolarHBondContact O-N 3.34Å; A31-K33 PolarHBondContact O-N 3.24Å; A31-K33 VanDerWaalsContact O-N 3.15Å; A31-M34 WeakPolarHBondContact O-CB 3.47Å; A31-M34 WeakPolarHBondContact O-CG 3.43Å; A31-M34 PolarHBondContact O-N 2.95Å; A31-M34 VanDerWaalsContact O-N 3.15Å; A31-R309 HydrophobicContact CB-CG 3.93Å; A31-A314 HydrophobicContact CB-CB 3.63Å
32T66.3Low79.4Confident106 Ų10677.6 Ų77.665%0.6541%0.41SS*.THydrogen-bonded Turntrans-66.4-13.5179.558.20000113.5I29 T30I29-T32 PolarHBondContact O-OG1 2.93Å; T30-T32 VanDerWaalsContact C-N 3.34Å; T30-T32 PolarHBondContact O-N 2.7Å
33K59.7Low79.4Confident176 Ų17672.1 Ų72.177%0.76538%0.381SS*.THydrogen-bonded Turntrans-99.55.4177.6-64.1-174.4178-178.10113.8T30 A31T30-K33 PolarHBondContact O-N 3.3Å; A31-K33 PolarHBondContact O-N 3.24Å; A31-K33 VanDerWaalsContact O-N 3.15Å
34M59Low79.5Confident61 Ų6172.9 Ų72.930%0.338%0.382SS..SBendtrans-65.6147.3-177.3-75.6-72.8-66.100111.7A31 A36 H254 W315A31-M34 WeakPolarHBondContact O-CB 3.47Å; A31-M34 WeakPolarHBondContact O-CG 3.43Å; A31-M34 PolarHBondContact O-N 2.95Å; A31-M34 VanDerWaalsContact O-N 3.15Å; M34-A36 PolarHBondContact O-N 2.85Å; M34-H254 HydrophobicContact CE-CB 4.27Å; M34-H254 WeakPolarHBondContact CE-O 3.41Å; M34-W315 HydrophobicContact CE-CZ2 4.06Å; M34-W315 HydrophobicContact CG-CZ2 4.27Å; M34-W315 HydrophobicContact SD-CZ2 4.49Å
35P53.1Low79.8Confident84 Ų8474.8 Ų74.855%0.54539%0.388SS..PPolyproline II helixtrans-64.6121.5-17524.9-32.7000110.4
36A61.2Low80.2Confident84 Ų8472 Ų7269%0.69437%0.37SS*.PPolyproline II helixtrans-52.2149.5161.200000109.2M34 H38M34-A36 PolarHBondContact O-N 2.85Å; A36-H38 PolarHBondContact O-N 3.14Å
37L69.4Low80.6Confident76 Ų7673.3 Ų73.340%0.39837%0.374SS..  trans-59.889.5168.3177.481000108.4R148 M149 F152L37-R148 HydrophobicContact CD1-CG 4.24Å; L37-R148 VanDerWaalsContact CD1-NE 3.29Å; L37-M149 HydrophobicContact CD1-SD 3.91Å; L37-F152 HydrophobicContact CD1-CD2 4.44Å; L37-F152 HydrophobicContact CD1-CE2 4.17Å; L37-F152 HydrophobicContact CD2-CD2 3.8Å; L37-F152 HydrophobicContact CD2-CE2 3.52Å; L37-F152 HydrophobicContact CG-CE2 4.49Å
38H75.8Confident81.1Confident112 Ų11273.7 Ų73.752%0.51938%0.376SS..  trans-88.5112.1178.1-172.769.1000107.7A36 H40 R141A36-H38 PolarHBondContact O-N 3.14Å; H38-H40 AromaticContact CD2-CD2 3.99Å; H38-H40 AromaticContact CD2-CE1 3.71Å; H38-H40 AromaticContact CD2-NE2 3.68Å; H38-H40 AromaticContact NE2-CE1 3.67Å; H38-H40 AromaticContact NE2-ND1 3.74Å; H38-R141 PolarHBondContact O-NH1 2.86Å; H38-R141 PolarHBondContact O-NH2 2.88Å
39R85.1Confident81.5Confident64 Ų6470.4 Ų70.424%0.24237%0.367CS..  trans-99.2119.3171.7-171.5172.1-162.9158.59.7107.8E43 K44 M149 S153R39-E43 HydrophobicContact CG-CB 3.92Å; R39-E43 VanDerWaalsContact CZ-O 3.27Å; R39-E43 PolarHBondContact NE-O 2.94Å; R39-E43 PolarHBondContact NH2-O 2.89Å; R39-K44 HydrophobicContact CG-CG 4.2Å; R39-M149 HydrophobicContact CB-CE 4.3Å; R39-M149 HydrophobicContact CG-CE 3.67Å; R39-S153 PolarHBondContact NH2-OG 3.38Å
40H88.1Confident81.9Confident41 Ų4174.3 Ų74.319%0.1938%0.38CS..  trans-67.2152.6174.5-72-83.2000109.8H38 E42 E43 V138H38-H40 AromaticContact CD2-CD2 3.99Å; H38-H40 AromaticContact CD2-CE1 3.71Å; H38-H40 AromaticContact CD2-NE2 3.68Å; H38-H40 AromaticContact NE2-CE1 3.67Å; H38-H40 AromaticContact NE2-ND1 3.74Å; H40-E42 WeakPolarHBondContact CB-OE2 3.48Å; H40-E42 PolarHBondContact O-N 3.17Å; H40-E43 HydrophobicContact CB-CB 4.49Å; H40-E43 HydrophobicContact CB-CG 3.98Å; H40-E43 IonicContact CD2-OE1 3.62Å; H40-E43 IonicContact CD2-OE2 3.78Å; H40-E43 PolarHBondContact N-OE2 3.41Å; H40-E43 WeakPolarHBondContact O-CB 3.35Å; H40-E43 PolarHBondContact O-N 3.42Å; H40-V138 HydrophobicContact CB-CG2 3.78Å
41E88.8Confident82.3Confident117 Ų11773.7 Ų73.755%0.54739%0.385SS..G310 helixtrans-59.5-34-179.7-70.5-56.6136.500111.6E43 K44 F45E41-E43 VanDerWaalsContact C-N 3.29Å; E41-E43 PolarHBondContact O-N 3.22Å; E41-K44 PolarHBondContact O-N 3.46Å; E41-K44 WeakPolarHBondContact OE1-CE 3.45Å; E41-K44 IonicContact OE1-NZ 3.13Å; E41-K44 PolarHBondContact OE1-NZ 3.26Å; E41-K44 WeakPolarHBondContact OE2-CD 3.22Å; E41-K44 WeakPolarHBondContact OE2-CE 3.19Å; E41-K44 IonicContact OE2-NZ 2.8Å; E41-K44 PolarHBondContact OE2-NZ 3.46Å; E41-F45 VanDerWaalsContact O-CD2 3.25Å; E41-F45 WeakPolarHBondContact O-CD2 3.45Å; E41-F45 WeakPolarHBondContact O-CE2 3Å
42E89.1Confident83Confident120 Ų12078.8 Ų78.856%0.56141%0.408SS*.G310 helixtrans-64.4-33.2175.4-59.482.1-18000112.2H40 K44 F45 V138H40-E42 WeakPolarHBondContact CB-OE2 3.48Å; H40-E42 PolarHBondContact O-N 3.17Å; E42-K44 PolarHBondContact O-N 2.91Å; E42-F45 PolarHBondContact O-N 2.98Å; E42-V138 HydrophobicContact CB-CG2 4.33Å
43E91.9Very high84.4Confident0 Ų080 Ų800%040%0.404CS..G310 helixtrans-81.1-0.4-177.7-62.2170.1162.800113.1R39 H40 E41 F45 L56 L137 V138 R141R39-E43 HydrophobicContact CG-CB 3.92Å; R39-E43 VanDerWaalsContact CZ-O 3.27Å; R39-E43 PolarHBondContact NE-O 2.94Å; R39-E43 PolarHBondContact NH2-O 2.89Å; H40-E43 HydrophobicContact CB-CB 4.49Å; H40-E43 HydrophobicContact CB-CG 3.98Å; H40-E43 IonicContact CD2-OE1 3.62Å; H40-E43 IonicContact CD2-OE2 3.78Å; H40-E43 PolarHBondContact N-OE2 3.41Å; H40-E43 WeakPolarHBondContact O-CB 3.35Å; H40-E43 PolarHBondContact O-N 3.42Å; E41-E43 VanDerWaalsContact C-N 3.29Å; E41-E43 PolarHBondContact O-N 3.22Å; E43-F45 VanDerWaalsContact C-N 3.26Å; E43-L56 VanDerWaalsContact O-CD1 3.31Å; E43-L56 WeakPolarHBondContact O-CD1 3.42Å; E43-L137 HydrophobicContact CG-CD2 4.15Å; E43-V138 HydrophobicContact CG-CG2 4.04Å; E43-V138 PolarHBondContact OE1-N 3.32Å; E43-R141 IonicContact OE1-CZ 3.17Å; E43-R141 IonicContact OE1-NE 2.77Å; E43-R141 IonicContact OE1-NH2 3.52Å; E43-R141 PolarHBondContact OE1-NH2 3.43Å; E43-R141 IonicContact OE2-CZ 3.28Å; E43-R141 IonicContact OE2-NH2 3.41Å; E43-R141 PolarHBondContact OE2-NH2 2.92Å
44K92.4Very high86.1Confident81 Ų8175.7 Ų75.735%0.35239%0.386SS..G310 helixtrans-82.5-6.4171.8-63.4-177.9-174.2169.20112.9R39 E41 E42 L56R39-K44 HydrophobicContact CG-CG 4.2Å; E41-K44 PolarHBondContact O-N 3.46Å; E41-K44 WeakPolarHBondContact OE1-CE 3.45Å; E41-K44 IonicContact OE1-NZ 3.13Å; E41-K44 PolarHBondContact OE1-NZ 3.26Å; E41-K44 WeakPolarHBondContact OE2-CD 3.22Å; E41-K44 WeakPolarHBondContact OE2-CE 3.19Å; E41-K44 IonicContact OE2-NZ 2.8Å; E41-K44 PolarHBondContact OE2-NZ 3.46Å; E42-K44 PolarHBondContact O-N 2.91Å; K44-L56 PolarHBondContact O-N 3.18Å
45F94.9Very high87.9Confident63 Ų6377.6 Ų77.628%0.27640%0.402SS..EExtended strand (participates in β ladder)trans-129.2163-174.8-55.3-95.4000111.8E41 E42 E43 K53 E54 T55E41-F45 VanDerWaalsContact O-CD2 3.25Å; E41-F45 WeakPolarHBondContact O-CD2 3.45Å; E41-F45 WeakPolarHBondContact O-CE2 3Å; E42-F45 PolarHBondContact O-N 2.98Å; E43-F45 VanDerWaalsContact C-N 3.26Å; F45-K53 HydrophobicContact CB-CD 4.11Å; F45-K53 HydrophobicContact CB-CG 3.62Å; F45-K53 HydrophobicContact CD1-CD 4.25Å; F45-K53 HydrophobicContact CD1-CG 3.89Å; F45-K53 HydrophobicContact CG-CD 4.09Å; F45-K53 HydrophobicContact CG-CG 3.9Å; F45-E54 CarbonylContact C-O 3.38Å; F45-E54 WeakPolarHBondContact CA-O 3.29Å; F45-E54 VanDerWaalsContact CB-O 3.3Å; F45-E54 WeakPolarHBondContact CB-O 3.15Å; F45-T55 HydrophobicContact CD1-CG2 3.84Å; F45-T55 HydrophobicContact CE1-CG2 3.55Å; F45-T55 HydrophobicContact CZ-CG2 4.47Å
46F95.9Very high89.9Confident13 Ų1374.6 Ų74.66%0.05738%0.381CS..EExtended strand (participates in β ladder)trans-135.7164.3169.673.5-73.8000110.3N48 K53 E54 L56 R133 V134F46-N48 HydrophobicContact CE2-CB 4.4Å; F46-K53 WeakPolarHBondContact O-CA 3.24Å; F46-E54 HydrophobicContact CD1-CB 4.15Å; F46-E54 WeakPolarHBondContact CD1-O 3.33Å; F46-E54 HydrophobicContact CE1-CB 3.54Å; F46-E54 HydrophobicContact CZ-CB 3.8Å; F46-E54 WeakPolarHBondContact CZ-OE2 3.37Å; F46-E54 PolarHBondContact N-O 3.21Å; F46-E54 PolarHBondContact O-N 3.38Å; F46-L56 HydrophobicContact CB-CD2 3.95Å; F46-L56 HydrophobicContact CB-CG 4.37Å; F46-L56 HydrophobicContact CD1-CD2 3.54Å; F46-L56 HydrophobicContact CD1-CG 3.95Å; F46-L56 HydrophobicContact CE1-CD2 4.38Å; F46-L56 HydrophobicContact CG-CD2 3.96Å; F46-R133 HydrophobicContact CD2-CB 4.34Å; F46-R133 HydrophobicContact CD2-CG 3.94Å; F46-R133 HydrophobicContact CE2-CG 3.75Å; F46-R133 HydrophobicContact CZ-CG 4.23Å; F46-V134 WeakPolarHBondContact CB-O 3.39Å
47L96.3Very high91.6Very high91 Ų9171.7 Ų71.748%0.47636%0.355SS..EExtended strand (participates in β ladder)trans-90.2125.1171.6-63.1179.6000109.7Q52 K53 F121L47-Q52 CarbonylContact C-O 3.57Å; L47-Q52 WeakPolarHBondContact CA-O 3.49Å; L47-K53 HydrophobicContact CD2-CB 4.49Å; L47-F121 HydrophobicContact CB-CE2 3.8Å; L47-F121 HydrophobicContact CB-CZ 4.38Å
48N96.3Very high92.8Very high9 Ų969.7 Ų69.75%0.04835%0.347CS..  trans-71.5175.817278.99.4000111.1F46 K50 G51 Q52 E54 F121 S129F46-N48 HydrophobicContact CE2-CB 4.4Å; N48-K50 PolarHBondContact O-N 3.31Å; N48-K50 VanDerWaalsContact O-N 3.09Å; N48-K50 WeakPolarHBondContact OD1-CA 3.33Å; N48-K50 WeakPolarHBondContact OD1-CB 3.29Å; N48-K50 PolarHBondContact OD1-N 3.33Å; N48-G51 WeakPolarHBondContact O-CA 3.31Å; N48-G51 PolarHBondContact O-N 2.92Å; N48-G51 PolarHBondContact OD1-N 2.88Å; N48-G51 VanDerWaalsContact OD1-N 3.13Å; N48-Q52 PolarHBondContact N-O 3.47Å; N48-Q52 PolarHBondContact ND2-OE1 3.28Å; N48-Q52 PolarHBondContact OD1-N 3.42Å; N48-Q52 PolarHBondContact OD1-O 3.44Å; N48-E54 HydrophobicContact CB-CG 4.3Å; N48-E54 WeakPolarHBondContact CB-OE1 3.27Å; N48-E54 PolarHBondContact ND2-OE1 2.7Å; N48-F121 VanDerWaalsContact O-CE2 3.31Å; N48-F121 WeakPolarHBondContact O-CE2 3.26Å; N48-F121 WeakPolarHBondContact O-CZ 3.45Å; N48-S129 VanDerWaalsContact C-OG 3.27Å; N48-S129 WeakPolarHBondContact CA-OG 3.44Å; N48-S129 WeakPolarHBondContact CB-OG 3.41Å
49A95.6Very high93.8Very high28 Ų2864.6 Ų64.623%0.23132%0.324CS..THydrogen-bonded Turntrans-63.1-20.8-175.800000112.6S129A49-S129 PolarHBondContact N-OG 2.81Å
50K95.4Very high94.3Very high176 Ų17667.1 Ų67.177%0.76533%0.333SS*.THydrogen-bonded Turntrans-89.6-0.1174.4-58.5179.2-179.1175.90112.8N48 Q52N48-K50 PolarHBondContact O-N 3.31Å; N48-K50 VanDerWaalsContact O-N 3.09Å; N48-K50 WeakPolarHBondContact OD1-CA 3.33Å; N48-K50 WeakPolarHBondContact OD1-CB 3.29Å; N48-K50 PolarHBondContact OD1-N 3.33Å; K50-Q52 HydrophobicContact CB-CG 4.28Å
51G92.8Very high94.6Very high40 Ų4069.3 Ų69.341%0.41235%0.346SS..SBendtrans78.915.3-176.900000114.3N48N48-G51 WeakPolarHBondContact O-CA 3.31Å; N48-G51 PolarHBondContact O-N 2.92Å; N48-G51 PolarHBondContact OD1-N 2.88Å; N48-G51 VanDerWaalsContact OD1-N 3.13Å
52Q95.5Very high95Very high113 Ų11371.1 Ų71.153%0.52836%0.359SS..  trans-92.5146.4178.3-55.8169.3-41.100110.3L47 N48 K50L47-Q52 CarbonylContact C-O 3.57Å; L47-Q52 WeakPolarHBondContact CA-O 3.49Å; N48-Q52 PolarHBondContact N-O 3.47Å; N48-Q52 PolarHBondContact ND2-OE1 3.28Å; N48-Q52 PolarHBondContact OD1-N 3.42Å; N48-Q52 PolarHBondContact OD1-O 3.44Å; K50-Q52 HydrophobicContact CB-CG 4.28Å
53K95.8Very high95.4Very high132 Ų13267.7 Ų67.757%0.57435%0.347SS*.EExtended strand (participates in β ladder)trans-79.3126-178.2-170.6174.6176.31790110.5F45 F46 L47F45-K53 HydrophobicContact CB-CD 4.11Å; F45-K53 HydrophobicContact CB-CG 3.62Å; F45-K53 HydrophobicContact CD1-CD 4.25Å; F45-K53 HydrophobicContact CD1-CG 3.89Å; F45-K53 HydrophobicContact CG-CD 4.09Å; F45-K53 HydrophobicContact CG-CG 3.9Å; F46-K53 WeakPolarHBondContact O-CA 3.24Å; L47-K53 HydrophobicContact CD2-CB 4.49Å
54E96Very high95.7Very high84 Ų8472 Ų7239%0.39337%0.374SS..EExtended strand (participates in β ladder)trans-127.7151.1177-74.2-178.3-159.400110.9F45 F46 N48F45-E54 CarbonylContact C-O 3.38Å; F45-E54 WeakPolarHBondContact CA-O 3.29Å; F45-E54 VanDerWaalsContact CB-O 3.3Å; F45-E54 WeakPolarHBondContact CB-O 3.15Å; F46-E54 HydrophobicContact CD1-CB 4.15Å; F46-E54 WeakPolarHBondContact CD1-O 3.33Å; F46-E54 HydrophobicContact CE1-CB 3.54Å; F46-E54 HydrophobicContact CZ-CB 3.8Å; F46-E54 WeakPolarHBondContact CZ-OE2 3.37Å; F46-E54 PolarHBondContact N-O 3.21Å; F46-E54 PolarHBondContact O-N 3.38Å; N48-E54 HydrophobicContact CB-CG 4.3Å; N48-E54 WeakPolarHBondContact CB-OE1 3.27Å; N48-E54 PolarHBondContact ND2-OE1 2.7Å
55T96.6Very high96Very high102 Ų10269.1 Ų69.163%0.62636%0.361SS*.EExtended strand (participates in β ladder)trans-72.5140.817749.60000111F45F45-T55 HydrophobicContact CD1-CG2 3.84Å; F45-T55 HydrophobicContact CE1-CG2 3.55Å; F45-T55 HydrophobicContact CZ-CG2 4.47Å
56L95.9Very high96.2Very high21 Ų2169.1 Ų69.111%0.1136%0.362CS..PPolyproline II helixtrans-72.8139.8174.4-75.4164.1000111E43 K44 F46 I135E43-L56 VanDerWaalsContact O-CD1 3.31Å; E43-L56 WeakPolarHBondContact O-CD1 3.42Å; K44-L56 PolarHBondContact O-N 3.18Å; F46-L56 HydrophobicContact CB-CD2 3.95Å; F46-L56 HydrophobicContact CB-CG 4.37Å; F46-L56 HydrophobicContact CD1-CD2 3.54Å; F46-L56 HydrophobicContact CD1-CG 3.95Å; F46-L56 HydrophobicContact CE1-CD2 4.38Å; F46-L56 HydrophobicContact CG-CD2 3.96Å; L56-I135 HydrophobicContact CD1-CD1 4.03Å; L56-I135 HydrophobicContact CD1-CG1 4.04Å; L56-I135 HydrophobicContact CD1-CG2 4.25Å; L56-I135 HydrophobicContact CD2-CD1 3.87Å; L56-I135 HydrophobicContact CD2-CG1 3.87Å
57P95.9Very high96.3Very high23 Ų2368.5 Ų68.515%0.14936%0.359CS..PPolyproline II helixtrans-68.8171.4171.531.9-34.5000110.4S153 R155P57-S153 WeakPolarHBondContact CG-O 3.47Å; P57-S153 VanDerWaalsContact O-CA 3.31Å; P57-S153 WeakPolarHBondContact O-CA 3.28Å; P57-R155 HydrophobicContact CB-CG 3.75Å; P57-R155 HydrophobicContact CG-CG 3.57Å
58S95.5Very high96.4Very high33 Ų3364.2 Ų64.223%0.23134%0.337CS..  trans-116.8146.8-177.3-179.90000112W60 D61 F152S58-W60 PolarHBondContact O-N 2.85Å; S58-W60 WeakPolarHBondContact OG-CB 3.34Å; S58-W60 PolarHBondContact OG-N 3.14Å; S58-W60 VanDerWaalsContact OG-N 3.16Å; S58-D61 VanDerWaalsContact CB-OD2 3.32Å; S58-D61 WeakPolarHBondContact CB-OD2 3.42Å; S58-D61 PolarHBondContact N-OD2 2.77Å; S58-D61 WeakPolarHBondContact O-CB 3.23Å; S58-D61 PolarHBondContact O-N 3.11Å; S58-D61 VanDerWaalsContact O-N 3.15Å; S58-F152 CarbonylContact C-O 3.47Å; S58-F152 WeakPolarHBondContact CA-O 3.39Å
59I95.9Very high96.5Very high5 Ų563.8 Ų63.83%0.02633%0.334CS..THydrogen-bonded Turntrans-62-19.6169.2-167.2160000112.6D61 I151 F152 I159 R243 A246I59-D61 VanDerWaalsContact C-N 3.35Å; I59-I151 HydrophobicContact CD1-CG2 3.54Å; I59-F152 HydrophobicContact CG2-CD1 3.8Å; I59-F152 PolarHBondContact N-O 3.33Å; I59-I159 HydrophobicContact CD1-CD1 3.86Å; I59-R243 VanDerWaalsContact C-NH1 3.28Å; I59-R243 VanDerWaalsContact CA-NH1 3.29Å; I59-R243 HydrophobicContact CG1-CG 4.33Å; I59-R243 PolarHBondContact O-NH1 2.68Å; I59-A246 HydrophobicContact CD1-CB 4.29Å
60W95.3Very high96.7Very high117 Ų11762.4 Ų62.444%0.44332%0.323SS..THydrogen-bonded Turntrans-82.8-13.5179.5-47.4118.2000113.1S58 S247 T320S58-W60 PolarHBondContact O-N 2.85Å; S58-W60 WeakPolarHBondContact OG-CB 3.34Å; S58-W60 PolarHBondContact OG-N 3.14Å; S58-W60 VanDerWaalsContact OG-N 3.16Å; W60-S247 WeakPolarHBondContact CH2-OG 3.42Å; W60-S247 WeakPolarHBondContact CZ3-OG 3.48Å; W60-T320 HydrophobicContact CH2-CG2 3.37Å; W60-T320 HydrophobicContact CZ2-CG2 4.05Å; W60-T320 HydrophobicContact CZ3-CG2 3.85Å
61D95.7Very high96.8Very high88 Ų8854 Ų5447%0.47129%0.287SS..SBendtrans-75.6158.6174.4-54.8-32.5000110.5S58 I59 R243S58-D61 VanDerWaalsContact CB-OD2 3.32Å; S58-D61 WeakPolarHBondContact CB-OD2 3.42Å; S58-D61 PolarHBondContact N-OD2 2.77Å; S58-D61 WeakPolarHBondContact O-CB 3.23Å; S58-D61 PolarHBondContact O-N 3.11Å; S58-D61 VanDerWaalsContact O-N 3.15Å; I59-D61 VanDerWaalsContact C-N 3.35Å; D61-R243 PolarHBondContact O-NH1 3.09Å
62L96.4Very high97.1Very high155 Ų15552.8 Ų52.881%0.81227%0.271SS*.PPolyproline II helixtrans-58.3137.9170.6-71.4175.1000110.3
63P97.5Very high97.2Very high48 Ų4847.4 Ų47.431%0.31225%0.247SC..PPolyproline II helixtrans-64.5140.5179.827.7-33.7000110.6R155 E157P63-R155 CarbonylContact C-O 3.59Å; P63-R155 VanDerWaalsContact CA-O 3.23Å; P63-R155 WeakPolarHBondContact CA-O 3.27Å; P63-R155 WeakPolarHBondContact CB-O 3.22Å; P63-E157 HydrophobicContact CB-CB 4.4Å; P63-E157 HydrophobicContact CB-CG 3.58Å; P63-E157 HydrophobicContact CG-CG 3.67Å
64T97.9Very high97.2Very high91 Ų9144.4 Ų44.456%0.55823%0.232SC*.  trans-1230.3177.853.60000112.4R155T64-R155 PolarHBondContact N-O 2.96Å; T64-R155 WeakPolarHBondContact OG1-CB 3.37Å; T64-R155 WeakPolarHBondContact OG1-CD 3.24Å
65K98.4Very high97.2Very high19 Ų1942.9 Ų42.98%0.08323%0.227CC..EExtended strand (participates in β ladder)trans-129.2154.3173.5-60.2-63178.8-169.60109.1T102 E104 D130 R155 G156 E157K65-T102 WeakPolarHBondContact CA-OG1 3.44Å; K65-E104 HydrophobicContact CG-CB 4.45Å; K65-E104 HydrophobicContact CG-CG 4.28Å; K65-D130 VanDerWaalsContact CE-OD1 3.24Å; K65-D130 WeakPolarHBondContact CE-OD1 3.42Å; K65-D130 IonicContact NZ-OD1 3.36Å; K65-D130 PolarHBondContact NZ-OD1 2.89Å; K65-D130 IonicContact NZ-OD2 3.14Å; K65-D130 PolarHBondContact NZ-OD2 2.89Å; K65-R155 HydrophobicContact CB-CB 4.49Å; K65-R155 HydrophobicContact CG-CB 4.05Å; K65-R155 PolarHBondContact N-O 2.97Å; K65-R155 VanDerWaalsContact N-O 3.11Å; K65-G156 CarbonylContact O-C 3.23Å; K65-G156 WeakPolarHBondContact O-CA 3.3Å; K65-E157 PolarHBondContact O-N 2.97Å
66Q98.5Very high97.2Very high63 Ų6339 Ų3929%0.29420%0.202SC..EExtended strand (participates in β ladder)trans-77.2-36.8170.4-68.3-170-26.200111.9F101 T102 E157 K158Q66-F101 HydrophobicContact CB-CD2 4.35Å; Q66-F101 VanDerWaalsContact OE1-CA 3.23Å; Q66-F101 VanDerWaalsContact OE1-CD2 3.3Å; Q66-T102 WeakPolarHBondContact CB-O 3.4Å; Q66-T102 PolarHBondContact N-O 2.9Å; Q66-T102 PolarHBondContact N-OG1 3.32Å; Q66-T102 VanDerWaalsContact N-OG1 3.12Å; Q66-E157 PolarHBondContact O-N 3.5Å; Q66-K158 PolarHBondContact O-N 3.1Å
67L98.8Very high97.2Very high1 Ų141 Ų411%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-132.8128.2-178.1-175.466.2000112.4V69 L91 F101 T102 Y103 E104 K158 L160 V173 L240L67-V69 HydrophobicContact CD2-CG2 4.03Å; L67-V69 HydrophobicContact CG-CG2 4.16Å; L67-L91 HydrophobicContact CD2-CD2 3.95Å; L67-F101 HydrophobicContact CB-CE2 4.04Å; L67-F101 HydrophobicContact CB-CZ 4.03Å; L67-F101 HydrophobicContact CD2-CE2 4.43Å; L67-F101 HydrophobicContact CD2-CZ 3.93Å; L67-T102 PolarHBondContact N-O 2.84Å; L67-T102 VanDerWaalsContact N-O 3.13Å; L67-Y103 CarbonylContact O-C 3.57Å; L67-Y103 WeakPolarHBondContact O-CA 3.43Å; L67-E104 PolarHBondContact O-N 3.18Å; L67-K158 WeakPolarHBondContact CA-O 3.37Å; L67-K158 HydrophobicContact CD1-CB 4.24Å; L67-L160 HydrophobicContact CD1-CB 4.01Å; L67-V173 HydrophobicContact CD2-CG2 4.3Å; L67-L240 HydrophobicContact CD1-CD1 3.82Å
68S98.9Very high97.1Very high0 Ų048.1 Ų48.10%024%0.239CC..EExtended strand (participates in β ladder)trans-107.2127161.8-65.70000109.8E104 R155 G156 K158 I159 L160S68-E104 CarbonylContact C-O 3.54Å; S68-E104 WeakPolarHBondContact CA-O 3.44Å; S68-E104 WeakPolarHBondContact OG-CG 3.46Å; S68-E104 PolarHBondContact OG-OE1 2.88Å; S68-R155 PolarHBondContact OG-N 2.92Å; S68-G156 VanDerWaalsContact OG-CA 3.27Å; S68-G156 WeakPolarHBondContact OG-CA 3.26Å; S68-G156 PolarHBondContact OG-N 2.9Å; S68-K158 PolarHBondContact N-O 2.97Å; S68-I159 CarbonylContact O-C 3.46Å; S68-I159 WeakPolarHBondContact O-CA 3.36Å; S68-L160 PolarHBondContact O-N 3.38Å
69V98.9Very high97Very high0 Ų048.9 Ų48.90%024%0.237CC..EExtended strand (participates in β ladder)trans-100.6118.3172.1-1740000108.7L67 V71 L91 E104 V105 I106 L160 A162 F170L67-V69 HydrophobicContact CD2-CG2 4.03Å; L67-V69 HydrophobicContact CG-CG2 4.16Å; V69-V71 HydrophobicContact CG1-CG2 4.04Å; V69-L91 HydrophobicContact CG2-CD1 4.17Å; V69-E104 PolarHBondContact N-O 3Å; V69-V105 HydrophobicContact CB-CG1 4.36Å; V69-V105 HydrophobicContact CB-CG2 4.24Å; V69-V105 HydrophobicContact CG2-CG2 4.48Å; V69-V105 CarbonylContact O-C 3.51Å; V69-V105 WeakPolarHBondContact O-CA 3.46Å; V69-I106 PolarHBondContact O-N 3.49Å; V69-L160 CarbonylContact C-O 3.59Å; V69-L160 WeakPolarHBondContact CA-O 3.42Å; V69-L160 HydrophobicContact CG1-CD2 4.21Å; V69-L160 HydrophobicContact CG1-CG 4.49Å; V69-L160 HydrophobicContact CG2-CB 4.39Å; V69-L160 HydrophobicContact CG2-CD2 4.15Å; V69-A162 HydrophobicContact CG1-CB 4.13Å; V69-F170 HydrophobicContact CG1-CE1 3.88Å; V69-F170 HydrophobicContact CG1-CZ 3.98Å; V69-F170 HydrophobicContact CG2-CE1 4.25Å
70V98.9Very high97.1Very high0 Ų048.7 Ų48.70%024%0.235CC..EExtended strand (participates in β ladder)trans-102.2121.4178.2178.60000109.4I106 V108 I147 I151 I159 L160 A162V70-I106 HydrophobicContact CG2-CD1 4.47Å; V70-V108 HydrophobicContact CG1-CG2 4.28Å; V70-I147 HydrophobicContact CG1-CG2 4.43Å; V70-I151 HydrophobicContact CG2-CG1 4.08Å; V70-I159 HydrophobicContact CG2-CG2 3.93Å; V70-L160 PolarHBondContact N-O 3.49Å; V70-A162 PolarHBondContact O-N 2.98Å
71V98.7Very high97.2Very high0 Ų044.7 Ų44.70%023%0.225CC..EExtended strand (participates in β ladder)trans-119.397.8-175.1179.50000109.6V69 S73 L80 M83 V105 I106 V107 V108 A164V69-V71 HydrophobicContact CG1-CG2 4.04Å; V71-S73 PolarHBondContact O-N 2.75Å; V71-L80 HydrophobicContact CG1-CD1 4.06Å; V71-M83 HydrophobicContact CB-CE 3.94Å; V71-M83 HydrophobicContact CG1-CE 3.14Å; V71-M83 HydrophobicContact CG2-CE 3.5Å; V71-V105 HydrophobicContact CG2-CG1 4.02Å; V71-I106 PolarHBondContact N-O 2.84Å; V71-V107 HydrophobicContact CB-CG2 4.48Å; V71-V108 PolarHBondContact O-N 3.11Å; V71-A164 HydrophobicContact CG1-CB 3.82Å
72P97.8Very high97.2Very high13 Ų1345.3 Ų45.38%0.08423%0.231CC..EExtended strand (participates in β ladder)trans-70.6130172.131.5-34.8000110.4K143 A146 I147 A162 A164P72-K143 HydrophobicContact CB-CG 4.39Å; P72-K143 HydrophobicContact CG-CG 4.12Å; P72-A146 HydrophobicContact CB-CB 3.96Å; P72-I147 HydrophobicContact CB-CG1 3.84Å; P72-I147 HydrophobicContact CG-CD1 3.98Å; P72-I147 HydrophobicContact CG-CG1 3.57Å; P72-A162 WeakPolarHBondContact CD-O 3.41Å; P72-A164 WeakPolarHBondContact O-CB 3.35Å
73S97.6Very high97.2Very high1 Ų138 Ų381%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-129.5128.5-177.8-55.30000110.6V71 V107 V108 D109 D110V71-S73 PolarHBondContact O-N 2.75Å; S73-V107 WeakPolarHBondContact OG-CG1 3.49Å; S73-V108 PolarHBondContact N-O 3.27Å; S73-D109 WeakPolarHBondContact O-CA 3.49Å; S73-D110 PolarHBondContact O-N 3.05Å
74Y96.2Very high97.2Very high68 Ų6835.7 Ų35.727%0.26718%0.178SC..SBendtrans-142.6103.6172-177.6-115.8000112.2D110 G111 S112 N140 K289Y74-D110 HydrophobicContact CD2-CB 4.46Å; Y74-D110 WeakPolarHBondContact CD2-O 3.42Å; Y74-G111 WeakPolarHBondContact CE2-O 3.26Å; Y74-S112 WeakPolarHBondContact CA-OG 3.3Å; Y74-N140 WeakPolarHBondContact CD2-ND2 3.32Å; Y74-N140 HydrophobicContact CE2-CB 4.07Å; Y74-N140 VanDerWaalsContact CE2-ND2 3.34Å; Y74-N140 WeakPolarHBondContact CE2-ND2 3.36Å; Y74-K289 PolarHBondContact O-NZ 2.65Å; Y74-K289 VanDerWaalsContact O-NZ 3.1Å
75N96Very high97.3Very high53 Ų5335.1 Ų35.128%0.28317%0.172SC..SBendtrans57.158.1-170.2-53.4-33.1000112.5S112 K113 D114N75-S112 PolarHBondContact N-OG 3.21Å; N75-S112 WeakPolarHBondContact OD1-CA 3.19Å; N75-S112 WeakPolarHBondContact OD1-CB 3.34Å; N75-K113 PolarHBondContact OD1-N 3.33Å; N75-D114 VanDerWaalsContact CA-CG 3.48Å; N75-D114 WeakPolarHBondContact CA-OD2 3.41Å
76E95.9Very high97.2Very high21 Ų2137 Ų3710%0.09818%0.181CC..  trans-114.819.3-174.8-61.9-63.8168.500112.8K78 R79 L80 D114 T116 A164E76-K78 PolarHBondContact O-N 3.24Å; E76-R79 PolarHBondContact O-N 2.78Å; E76-R79 VanDerWaalsContact O-N 3.08Å; E76-R79 IonicContact OE1-CZ 3.56Å; E76-R79 IonicContact OE1-NH2 2.95Å; E76-R79 PolarHBondContact OE1-NH2 2.81Å; E76-R79 IonicContact OE2-CZ 2.75Å; E76-R79 IonicContact OE2-NE 3.24Å; E76-R79 PolarHBondContact OE2-NE 2.81Å; E76-R79 IonicContact OE2-NH2 3.98Å; E76-R79 PolarHBondContact OE2-NH2 2.91Å; E76-L80 HydrophobicContact CB-CB 4.14Å; E76-L80 WeakPolarHBondContact O-CB 2.98Å; E76-L80 PolarHBondContact O-N 2.77Å; E76-D114 PolarHBondContact N-OD2 2.98Å; E76-T116 HydrophobicContact CB-CG2 4.48Å; E76-T116 PolarHBondContact N-OG1 2.75Å; E76-A164 HydrophobicContact CB-CB 4.23Å; E76-A164 HydrophobicContact CG-CB 3.87Å
77E96.3Very high97.2Very high62 Ų6234 Ų3429%0.2917%0.167SC..THydrogen-bonded Turntrans-53.6-27.1-173.673.3179.6-175.400114P81 D114 K115 T116 V119E77-P81 WeakPolarHBondContact O-CD 3.36Å; E77-D114 HydrophobicContact CB-CB 4.49Å; E77-D114 WeakPolarHBondContact CB-OD2 3.19Å; E77-D114 HydrophobicContact CG-CB 4.27Å; E77-D114 WeakPolarHBondContact CG-OD2 3.32Å; E77-D114 PolarHBondContact N-OD2 2.78Å; E77-D114 VanDerWaalsContact N-OD2 3.13Å; E77-K115 HydrophobicContact CB-CB 4.41Å; E77-K115 VanDerWaalsContact OE2-CB 3.23Å; E77-K115 WeakPolarHBondContact OE2-CB 3.47Å; E77-K115 PolarHBondContact OE2-N 3.15Å; E77-T116 PolarHBondContact N-OG1 2.83Å; E77-V119 HydrophobicContact CB-CG2 4.28Å
78K94.4Very high97.2Very high173 Ų17333.9 Ų33.975%0.75217%0.166SC*.THydrogen-bonded Turntrans-91-36.2-179.4-60.6-174.8-178.5178.80113.9E76E76-K78 PolarHBondContact O-N 3.24Å
79R93.6Very high97.2Very high49 Ų4936.5 Ų36.519%0.18518%0.184CC..THydrogen-bonded Turntrans-92.9-33.8-173.5-61.5-168.2-67.2170.32.4112.5E76 P81 V82 M83 A164 D165E76-R79 PolarHBondContact O-N 2.78Å; E76-R79 VanDerWaalsContact O-N 3.08Å; E76-R79 IonicContact OE1-CZ 3.56Å; E76-R79 IonicContact OE1-NH2 2.95Å; E76-R79 PolarHBondContact OE1-NH2 2.81Å; E76-R79 IonicContact OE2-CZ 2.75Å; E76-R79 IonicContact OE2-NE 3.24Å; E76-R79 PolarHBondContact OE2-NE 2.81Å; E76-R79 IonicContact OE2-NH2 3.98Å; E76-R79 PolarHBondContact OE2-NH2 2.91Å; R79-P81 VanDerWaalsContact C-CD 3.46Å; R79-V82 PolarHBondContact O-N 2.8Å; R79-M83 PolarHBondContact O-N 2.78Å; R79-A164 CarbonylContact C-O 3.44Å; R79-D165 IonicContact NH1-OD2 3.83Å
80L96.8Very high97.2Very high0 Ų037.8 Ų37.80%019%0.189CC..Hα-helixtrans-53.5-42.8-179.6-177.866.5000113.5V71 E76 V82 M83 M84 V107 T116 V119 A120 A164V71-L80 HydrophobicContact CG1-CD1 4.06Å; E76-L80 HydrophobicContact CB-CB 4.14Å; E76-L80 WeakPolarHBondContact O-CB 2.98Å; E76-L80 PolarHBondContact O-N 2.77Å; L80-V82 PolarHBondContact O-N 3.06Å; L80-M83 HydrophobicContact CD1-CE 4.12Å; L80-M83 PolarHBondContact O-N 3.14Å; L80-M84 HydrophobicContact CD1-CG 3.62Å; L80-M84 HydrophobicContact CD1-SD 4.12Å; L80-M84 HydrophobicContact CG-CG 3.82Å; L80-M84 WeakPolarHBondContact O-CB 3.31Å; L80-M84 VanDerWaalsContact O-CG 3.22Å; L80-M84 WeakPolarHBondContact O-CG 3.43Å; L80-M84 PolarHBondContact O-N 2.74Å; L80-V107 HydrophobicContact CD1-CG1 4.37Å; L80-V107 HydrophobicContact CD2-CG1 4.08Å; L80-T116 HydrophobicContact CD2-CG2 4.28Å; L80-V119 HydrophobicContact CD2-CG1 4.42Å; L80-A120 HydrophobicContact CD2-CB 3.87Å; L80-A164 HydrophobicContact CD1-CB 4.18Å
81P97.7Very high97.2Very high34 Ų3437.8 Ų37.822%0.22119%0.189CC..Hα-helixtrans-57.9-44.2179.6-26.535.4000114E77 R79 M83 M84 D85 V119 Y123E77-P81 WeakPolarHBondContact O-CD 3.36Å; R79-P81 VanDerWaalsContact C-CD 3.46Å; P81-M83 VanDerWaalsContact C-N 3.33Å; P81-M83 PolarHBondContact O-N 3.19Å; P81-M84 PolarHBondContact O-N 3.49Å; P81-D85 WeakPolarHBondContact O-CB 3.3Å; P81-D85 PolarHBondContact O-N 3.25Å; P81-V119 HydrophobicContact CG-CG1 3.68Å; P81-Y123 VanDerWaalsContact CA-OH 3.29Å; P81-Y123 WeakPolarHBondContact CA-OH 3.41Å; P81-Y123 PolarHBondContact O-OH 3.37Å
82V95.9Very high97.1Very high100 Ų10039.6 Ų39.661%0.60620%0.198SC*.Hα-helixtrans-62.4-44.6-178.2178.40000110.4R79 L80 E86R79-V82 PolarHBondContact O-N 2.8Å; L80-V82 PolarHBondContact O-N 3.06Å; V82-E86 PolarHBondContact O-N 2.81Å
83M96.2Very high97.2Very high2 Ų245.6 Ų45.61%0.0122%0.223CC..Hα-helixtrans-65.1-48.7176.5-170.5-78.9-80.600111.4V71 R79 L80 P81 D85 E86 A87 A164 F170V71-M83 HydrophobicContact CB-CE 3.94Å; V71-M83 HydrophobicContact CG1-CE 3.14Å; V71-M83 HydrophobicContact CG2-CE 3.5Å; R79-M83 PolarHBondContact O-N 2.78Å; L80-M83 HydrophobicContact CD1-CE 4.12Å; L80-M83 PolarHBondContact O-N 3.14Å; P81-M83 VanDerWaalsContact C-N 3.33Å; P81-M83 PolarHBondContact O-N 3.19Å; M83-D85 VanDerWaalsContact C-N 3.35Å; M83-D85 PolarHBondContact O-N 2.6Å; M83-E86 PolarHBondContact O-N 3.17Å; M83-A87 VanDerWaalsContact O-CB 3.24Å; M83-A87 WeakPolarHBondContact O-CB 3.41Å; M83-A87 PolarHBondContact O-N 2.76Å; M83-A87 HydrophobicContact SD-CB 4.06Å; M83-A164 WeakPolarHBondContact CB-O 3.3Å; M83-F170 HydrophobicContact CG-CE2 4.26Å; M83-F170 HydrophobicContact SD-CE2 3.64Å; M83-F170 HydrophobicContact SD-CZ 3.87Å
84M98.5Very high97.2Very high0 Ų046.9 Ų46.90%023%0.227CC..Hα-helixtrans-63.5-38.3-177.9-70.7-65-64.300112.6L80 P81 L88 V105 V107 Y123 V132L80-M84 HydrophobicContact CD1-CG 3.62Å; L80-M84 HydrophobicContact CD1-SD 4.12Å; L80-M84 HydrophobicContact CG-CG 3.82Å; L80-M84 WeakPolarHBondContact O-CB 3.31Å; L80-M84 VanDerWaalsContact O-CG 3.22Å; L80-M84 WeakPolarHBondContact O-CG 3.43Å; L80-M84 PolarHBondContact O-N 2.74Å; P81-M84 PolarHBondContact O-N 3.49Å; M84-L88 HydrophobicContact CE-CD1 3.93Å; M84-L88 VanDerWaalsContact O-CB 3.26Å; M84-L88 WeakPolarHBondContact O-CB 3.11Å; M84-L88 WeakPolarHBondContact O-CD1 3.38Å; M84-L88 VanDerWaalsContact O-CG 3.31Å; M84-L88 WeakPolarHBondContact O-CG 3.44Å; M84-L88 PolarHBondContact O-N 2.97Å; M84-V105 HydrophobicContact CE-CB 4.43Å; M84-V105 HydrophobicContact CE-CG1 3.83Å; M84-V105 HydrophobicContact SD-CG1 3.92Å; M84-V107 HydrophobicContact CE-CG2 3.89Å; M84-V107 HydrophobicContact SD-CG2 3.73Å; M84-Y123 HydrophobicContact CB-CD1 4.01Å; M84-Y123 HydrophobicContact CB-CD2 4.27Å; M84-Y123 HydrophobicContact CB-CE1 3.65Å; M84-Y123 HydrophobicContact CB-CE2 3.95Å; M84-Y123 HydrophobicContact CB-CG 4.31Å; M84-Y123 HydrophobicContact CE-CD1 4.39Å; M84-Y123 HydrophobicContact CE-CG 4.15Å; M84-Y123 HydrophobicContact CG-CD2 4.43Å; M84-Y123 HydrophobicContact CG-CE2 4.37Å; M84-V132 HydrophobicContact CE-CG1 4.23Å
85D98.4Very high97.3Very high78 Ų7845.8 Ų45.842%0.41722%0.224SC..Hα-helixtrans-64.7-44.3177.5-74.5-17.1000111.5P81 M83 S89 Y123P81-D85 WeakPolarHBondContact O-CB 3.3Å; P81-D85 PolarHBondContact O-N 3.25Å; M83-D85 VanDerWaalsContact C-N 3.35Å; M83-D85 PolarHBondContact O-N 2.6Å; D85-S89 WeakPolarHBondContact O-CB 3.36Å; D85-S89 PolarHBondContact O-N 3.21Å; D85-Y123 VanDerWaalsContact CG-OH 3.28Å; D85-Y123 WeakPolarHBondContact OD1-CE1 3.38Å; D85-Y123 PolarHBondContact OD1-OH 3.16Å
86E97.9Very high97.4Very high58 Ų5851.1 Ų51.127%0.27125%0.245SC..Hα-helixtrans-67.7-46.4177.4-169.9-85.9170.200111.4V82 M83 S89 Y90 F170 P171V82-E86 PolarHBondContact O-N 2.81Å; M83-E86 PolarHBondContact O-N 3.17Å; E86-S89 PolarHBondContact O-N 2.74Å; E86-Y90 PolarHBondContact O-N 2.7Å; E86-F170 PolarHBondContact OE1-N 2.88Å; E86-F170 VanDerWaalsContact OE1-N 3.11Å; E86-F170 WeakPolarHBondContact OE2-CB 3.38Å; E86-F170 WeakPolarHBondContact OE2-CD2 3.25Å; E86-F170 WeakPolarHBondContact OE2-CG 3.32Å; E86-F170 PolarHBondContact OE2-N 3.13Å; E86-P171 VanDerWaalsContact OE1-CD 3.3Å; E86-P171 WeakPolarHBondContact OE1-CD 3.44Å
87A98.4Very high97.4Very high0 Ų058 Ų580%027%0.27CS..Hα-helixtrans-56.4-55.4177.700000112.1M83 Y90 L91 F170M83-A87 VanDerWaalsContact O-CB 3.24Å; M83-A87 WeakPolarHBondContact O-CB 3.41Å; M83-A87 PolarHBondContact O-N 2.76Å; M83-A87 HydrophobicContact SD-CB 4.06Å; A87-Y90 PolarHBondContact O-N 3.29Å; A87-L91 WeakPolarHBondContact O-CB 3.49Å; A87-L91 WeakPolarHBondContact O-CG 3.39Å; A87-L91 PolarHBondContact O-N 3.09Å; A87-F170 HydrophobicContact CB-CD1 3.78Å; A87-F170 HydrophobicContact CB-CD2 3.78Å; A87-F170 HydrophobicContact CB-CE1 3.45Å; A87-F170 VanDerWaalsContact CB-CE1 3.45Å; A87-F170 HydrophobicContact CB-CE2 3.44Å; A87-F170 VanDerWaalsContact CB-CE2 3.44Å; A87-F170 HydrophobicContact CB-CG 3.93Å; A87-F170 HydrophobicContact CB-CZ 3.26Å
88L98.6Very high97.5Very high0 Ų058.2 Ų58.20%027%0.273CS..Hα-helixtrans-69-35.8-177.4-69.7166.5000111.5M84 Y90 L91 E92 Y103 V105 Y123 Y127 V132M84-L88 HydrophobicContact CE-CD1 3.93Å; M84-L88 VanDerWaalsContact O-CB 3.26Å; M84-L88 WeakPolarHBondContact O-CB 3.11Å; M84-L88 WeakPolarHBondContact O-CD1 3.38Å; M84-L88 VanDerWaalsContact O-CG 3.31Å; M84-L88 WeakPolarHBondContact O-CG 3.44Å; M84-L88 PolarHBondContact O-N 2.97Å; L88-Y90 VanDerWaalsContact C-N 3.33Å; L88-Y90 PolarHBondContact O-N 3.35Å; L88-L91 PolarHBondContact O-N 2.99Å; L88-E92 VanDerWaalsContact O-CB 3.27Å; L88-E92 WeakPolarHBondContact O-CB 3.48Å; L88-E92 WeakPolarHBondContact O-CG 3.43Å; L88-E92 PolarHBondContact O-N 2.84Å; L88-Y103 HydrophobicContact CD2-CE2 3.93Å; L88-V105 HydrophobicContact CD2-CG2 3.95Å; L88-Y123 HydrophobicContact CD1-CD1 3.52Å; L88-Y123 HydrophobicContact CD1-CE1 4.17Å; L88-Y123 HydrophobicContact CD1-CG 4.38Å; L88-Y127 HydrophobicContact CB-CE1 4.16Å; L88-Y127 HydrophobicContact CB-CE2 4.42Å; L88-Y127 HydrophobicContact CD1-CD2 3.73Å; L88-Y127 HydrophobicContact CD1-CE1 4.45Å; L88-Y127 HydrophobicContact CD1-CE2 3.5Å; L88-Y127 HydrophobicContact CD1-CG 4.29Å; L88-Y127 HydrophobicContact CD2-CD1 4.5Å; L88-Y127 HydrophobicContact CG-CE2 4.48Å; L88-V132 HydrophobicContact CD1-CG2 4.18Å; L88-V132 HydrophobicContact CD2-CG2 3.91Å
89S98.4Very high97.5Very high54 Ų5455.2 Ų55.238%0.37827%0.271SS..Hα-helixtrans-58.8-45.3173.1-179.50000111.6D85 E86 K93D85-S89 WeakPolarHBondContact O-CB 3.36Å; D85-S89 PolarHBondContact O-N 3.21Å; E86-S89 PolarHBondContact O-N 2.74Å; S89-K93 WeakPolarHBondContact O-CB 3.38Å; S89-K93 WeakPolarHBondContact O-CD 3.43Å; S89-K93 VanDerWaalsContact O-CG 3.23Å; S89-K93 WeakPolarHBondContact O-CG 3.37Å; S89-K93 PolarHBondContact O-N 3.5Å
90Y98.6Very high97.6Very high28 Ų2856 Ų5611%0.1129%0.288CS..Hα-helixtrans-66.6-48.5176.6171.6-95.3000112E86 A87 L88 E92 K93 R94 F170 P171 V173 E174E86-Y90 PolarHBondContact O-N 2.7Å; A87-Y90 PolarHBondContact O-N 3.29Å; L88-Y90 VanDerWaalsContact C-N 3.33Å; L88-Y90 PolarHBondContact O-N 3.35Å; Y90-E92 PolarHBondContact O-N 2.94Å; Y90-K93 PolarHBondContact O-N 2.81Å; Y90-R94 PolarHBondContact O-N 3.29Å; Y90-F170 HydrophobicContact CD1-CB 3.86Å; Y90-F170 HydrophobicContact CG-CB 4.03Å; Y90-P171 HydrophobicContact CD2-CB 4.29Å; Y90-P171 HydrophobicContact CD2-CG 3.81Å; Y90-P171 HydrophobicContact CE2-CB 4.08Å; Y90-P171 HydrophobicContact CE2-CG 4.12Å; Y90-V173 HydrophobicContact CE1-CG1 3.54Å; Y90-E174 VanDerWaalsContact OH-CD 3.24Å; Y90-E174 VanDerWaalsContact OH-CG 3.24Å; Y90-E174 WeakPolarHBondContact OH-CG 3.21Å; Y90-E174 PolarHBondContact OH-OE1 3.46Å
91L98.5Very high97.7Very high0 Ų056 Ų560%029%0.288CS..Hα-helixtrans-65.2-40.4-177-66.9168.3000112.7L67 V69 A87 L88 R94 Q95 F101 Y103 V105 F170L67-L91 HydrophobicContact CD2-CD2 3.95Å; V69-L91 HydrophobicContact CG2-CD1 4.17Å; A87-L91 WeakPolarHBondContact O-CB 3.49Å; A87-L91 WeakPolarHBondContact O-CG 3.39Å; A87-L91 PolarHBondContact O-N 3.09Å; L88-L91 PolarHBondContact O-N 2.99Å; L91-R94 PolarHBondContact O-N 3.11Å; L91-Q95 WeakPolarHBondContact O-CB 3.33Å; L91-Q95 PolarHBondContact O-N 2.91Å; L91-F101 HydrophobicContact CD2-CE1 4.04Å; L91-F101 HydrophobicContact CD2-CZ 4.01Å; L91-Y103 HydrophobicContact CB-CD1 3.94Å; L91-Y103 HydrophobicContact CB-CD2 3.97Å; L91-Y103 HydrophobicContact CB-CE1 3.72Å; L91-Y103 HydrophobicContact CB-CE2 3.76Å; L91-Y103 HydrophobicContact CB-CG 4.05Å; L91-Y103 HydrophobicContact CD1-CD2 3.62Å; L91-Y103 HydrophobicContact CD1-CE2 3.81Å; L91-Y103 HydrophobicContact CD1-CG 4.22Å; L91-Y103 HydrophobicContact CD2-CG 4.32Å; L91-Y103 HydrophobicContact CG-CD2 4.25Å; L91-Y103 HydrophobicContact CG-CE2 4.38Å; L91-Y103 HydrophobicContact CG-CG 4.42Å; L91-V105 HydrophobicContact CD1-CG2 3.79Å; L91-F170 HydrophobicContact CD1-CE1 4.5Å
92E98.3Very high97.7Very high37 Ų3756.2 Ų56.217%0.17329%0.289CS..Hα-helixtrans-63.5-41.3173.5-72.2-69.9158.600111.5L88 Y90 R94 Q95 K96 Y103 Y127 K131L88-E92 VanDerWaalsContact O-CB 3.27Å; L88-E92 WeakPolarHBondContact O-CB 3.48Å; L88-E92 WeakPolarHBondContact O-CG 3.43Å; L88-E92 PolarHBondContact O-N 2.84Å; Y90-E92 PolarHBondContact O-N 2.94Å; E92-R94 VanDerWaalsContact C-N 3.35Å; E92-Q95 PolarHBondContact O-N 3.48Å; E92-K96 VanDerWaalsContact O-CG 3.28Å; E92-K96 WeakPolarHBondContact O-CG 3.5Å; E92-K96 PolarHBondContact O-N 3.28Å; E92-Y103 VanDerWaalsContact CD-OH 3.25Å; E92-Y103 WeakPolarHBondContact CG-OH 3.27Å; E92-Y103 PolarHBondContact OE1-OH 3.05Å; E92-Y127 HydrophobicContact CG-CE1 4.06Å; E92-K131 WeakPolarHBondContact OE1-CD 3.22Å; E92-K131 IonicContact OE1-NZ 2.68Å; E92-K131 PolarHBondContact OE1-NZ 2.83Å; E92-K131 IonicContact OE2-NZ 3.07Å; E92-K131 PolarHBondContact OE2-NZ 3.28Å; E92-K131 VanDerWaalsContact OE2-NZ 3.07Å
93K98.4Very high97.9Very high140 Ų14051.6 Ų51.661%0.60926%0.261SS*.Hα-helixtrans-63.9-41.5175.3-76.4173-175.5176.10111.5S89 Y90 K96 R97S89-K93 WeakPolarHBondContact O-CB 3.38Å; S89-K93 WeakPolarHBondContact O-CD 3.43Å; S89-K93 VanDerWaalsContact O-CG 3.23Å; S89-K93 WeakPolarHBondContact O-CG 3.37Å; S89-K93 PolarHBondContact O-N 3.5Å; Y90-K93 PolarHBondContact O-N 2.81Å; K93-K96 PolarHBondContact O-N 3.43Å; K93-R97 PolarHBondContact O-N 3.18Å
94R98Very high98Very high28 Ų2851.5 Ų51.511%0.10626%0.261CS..Hα-helixtrans-63-46.9176.7-177.2174.4173.7176.6-0.7111.4Y90 L91 E92 K96 R97 D98 F101 E177Y90-R94 PolarHBondContact O-N 3.29Å; L91-R94 PolarHBondContact O-N 3.11Å; E92-R94 VanDerWaalsContact C-N 3.35Å; R94-K96 VanDerWaalsContact C-N 3.3Å; R94-K96 PolarHBondContact O-N 3.03Å; R94-R97 WeakPolarHBondContact O-CB 3.3Å; R94-R97 PolarHBondContact O-N 3.31Å; R94-R97 VanDerWaalsContact O-N 3.11Å; R94-D98 PolarHBondContact O-N 2.88Å; R94-F101 HydrophobicContact CB-CD1 4.19Å; R94-F101 HydrophobicContact CB-CE1 4.19Å; R94-F101 HydrophobicContact CG-CD1 3.72Å; R94-F101 HydrophobicContact CG-CE1 3.9Å; R94-F101 HydrophobicContact CG-CG 4.05Å; R94-F101 HydrophobicContact CG-CZ 4.39Å; R94-E177 IonicContact CZ-OE1 3.71Å; R94-E177 IonicContact CZ-OE2 3.69Å; R94-E177 VanDerWaalsContact NH1-CD 3.32Å; R94-E177 IonicContact NH1-OE1 3.24Å; R94-E177 PolarHBondContact NH1-OE1 3.42Å; R94-E177 IonicContact NH1-OE2 2.8Å; R94-E177 PolarHBondContact NH1-OE2 3.48Å; R94-E177 VanDerWaalsContact NH1-OE2 3.14Å; R94-E177 VanDerWaalsContact NH2-CD 3.27Å; R94-E177 IonicContact NH2-OE1 2.93Å; R94-E177 PolarHBondContact NH2-OE1 3.31Å; R94-E177 IonicContact NH2-OE2 2.8Å; R94-E177 PolarHBondContact NH2-OE2 3.46Å
95Q97.9Very high98Very high44 Ų4451.5 Ų51.521%0.20626%0.261CS..Hα-helixtrans-62-35.7175.8177.3167.367.200112.7L91 E92 R97 D98 P99 F101 Y103 K131L91-Q95 WeakPolarHBondContact O-CB 3.33Å; L91-Q95 PolarHBondContact O-N 2.91Å; E92-Q95 PolarHBondContact O-N 3.48Å; Q95-R97 VanDerWaalsContact C-N 3.32Å; Q95-D98 CarbonylContact O-C 3.4Å; Q95-P99 WeakPolarHBondContact O-CA 3.4Å; Q95-F101 HydrophobicContact CB-CD1 4.21Å; Q95-F101 WeakPolarHBondContact CG-O 3.49Å; Q95-F101 PolarHBondContact NE2-O 3.45Å; Q95-Y103 HydrophobicContact CB-CE1 4.38Å; Q95-K131 VanDerWaalsContact OE1-CE 3.22Å
96K97.9Very high98Very high166 Ų16647.8 Ų47.872%0.72224%0.241SC*.Hα-helixtrans-66.2-35173.7-74.8173.6-177.5-177.60112.6E92 K93 R94E92-K96 VanDerWaalsContact O-CG 3.28Å; E92-K96 WeakPolarHBondContact O-CG 3.5Å; E92-K96 PolarHBondContact O-N 3.28Å; K93-K96 PolarHBondContact O-N 3.43Å; R94-K96 VanDerWaalsContact C-N 3.3Å; R94-K96 PolarHBondContact O-N 3.03Å
97R97.6Very high98.1Very high166 Ų16645 Ų4563%0.62623%0.228SC*.Hα-helixtrans-75.4-34.9177.8-177.1177.465.1-157.92.1112.1K93 R94 Q95 E174K93-R97 PolarHBondContact O-N 3.18Å; R94-R97 WeakPolarHBondContact O-CB 3.3Å; R94-R97 PolarHBondContact O-N 3.31Å; R94-R97 VanDerWaalsContact O-N 3.11Å; Q95-R97 VanDerWaalsContact C-N 3.32Å; R97-E174 IonicContact CZ-OE1 3.85Å; R97-E174 IonicContact NH2-OE1 2.78Å; R97-E174 PolarHBondContact NH2-OE1 3.22Å
98D97.4Very high98.1Very high66 Ų6645 Ų4535%0.35323%0.228SC..  trans-132.196.3178.5177.66.3000109.7R94 Q95 A100 F101R94-D98 PolarHBondContact O-N 2.88Å; Q95-D98 CarbonylContact O-C 3.4Å; D98-A100 PolarHBondContact O-N 3.29Å; D98-A100 WeakPolarHBondContact OD1-CB 3.21Å; D98-A100 PolarHBondContact OD1-N 3.36Å; D98-A100 VanDerWaalsContact OD1-N 3.11Å; D98-F101 HydrophobicContact CB-CB 4.1Å; D98-F101 WeakPolarHBondContact O-CA 3.13Å; D98-F101 VanDerWaalsContact O-CB 3.22Å; D98-F101 WeakPolarHBondContact O-CB 3.45Å; D98-F101 PolarHBondContact O-N 3.1Å
99P94.9Very high98.1Very high109 Ų10945.3 Ų45.371%0.70823%0.229SC*.THydrogen-bonded Turntrans-62.7-19.7-178.8-26.236.1000114.8Q95Q95-P99 WeakPolarHBondContact O-CA 3.4Å
100A96.1Very high98Very high65 Ų6543 Ų4354%0.53721%0.212SC..THydrogen-bonded Turntrans-74.2-20.417300000111.6D98 T102D98-A100 PolarHBondContact O-N 3.29Å; D98-A100 WeakPolarHBondContact OD1-CB 3.21Å; D98-A100 PolarHBondContact OD1-N 3.36Å; D98-A100 VanDerWaalsContact OD1-N 3.11Å; A100-T102 PolarHBondContact O-N 2.97Å
101F98.1Very high97.9Very high1 Ų142.5 Ų42.50%0.00422%0.216CC..  trans-68.9115.4176-177.1-99.4000112Q66 L67 L91 R94 Q95 D98 Y103Q66-F101 HydrophobicContact CB-CD2 4.35Å; Q66-F101 VanDerWaalsContact OE1-CA 3.23Å; Q66-F101 VanDerWaalsContact OE1-CD2 3.3Å; L67-F101 HydrophobicContact CB-CE2 4.04Å; L67-F101 HydrophobicContact CB-CZ 4.03Å; L67-F101 HydrophobicContact CD2-CE2 4.43Å; L67-F101 HydrophobicContact CD2-CZ 3.93Å; L91-F101 HydrophobicContact CD2-CE1 4.04Å; L91-F101 HydrophobicContact CD2-CZ 4.01Å; R94-F101 HydrophobicContact CB-CD1 4.19Å; R94-F101 HydrophobicContact CB-CE1 4.19Å; R94-F101 HydrophobicContact CG-CD1 3.72Å; R94-F101 HydrophobicContact CG-CE1 3.9Å; R94-F101 HydrophobicContact CG-CG 4.05Å; R94-F101 HydrophobicContact CG-CZ 4.39Å; Q95-F101 HydrophobicContact CB-CD1 4.21Å; Q95-F101 WeakPolarHBondContact CG-O 3.49Å; Q95-F101 PolarHBondContact NE2-O 3.45Å; D98-F101 HydrophobicContact CB-CB 4.1Å; D98-F101 WeakPolarHBondContact O-CA 3.13Å; D98-F101 VanDerWaalsContact O-CB 3.22Å; D98-F101 WeakPolarHBondContact O-CB 3.45Å; D98-F101 PolarHBondContact O-N 3.1Å; F101-Y103 HydrophobicContact CD1-CD1 4.33Å; F101-Y103 AromaticContact CE1-CD1 3.84Å; F101-Y103 HydrophobicContact CE1-CD1 3.84Å; F101-Y103 HydrophobicContact CE1-CG 4.25Å
102T98.4Very high97.8Very high39 Ų3943.7 Ų43.724%0.23922%0.224CC..  trans-120.7140.6176.5560000109.7K65 Q66 L67 A100K65-T102 WeakPolarHBondContact CA-OG1 3.44Å; Q66-T102 WeakPolarHBondContact CB-O 3.4Å; Q66-T102 PolarHBondContact N-O 2.9Å; Q66-T102 PolarHBondContact N-OG1 3.32Å; Q66-T102 VanDerWaalsContact N-OG1 3.12Å; L67-T102 PolarHBondContact N-O 2.84Å; L67-T102 VanDerWaalsContact N-O 3.13Å; A100-T102 PolarHBondContact O-N 2.97Å
103Y98.8Very high97.7Very high2 Ų250.8 Ų50.81%0.00826%0.255CS..EExtended strand (participates in β ladder)trans-141.1166.8-178.672.3-87.4000112L67 L88 L91 E92 Q95 F101 V105 K131L67-Y103 CarbonylContact O-C 3.57Å; L67-Y103 WeakPolarHBondContact O-CA 3.43Å; L88-Y103 HydrophobicContact CD2-CE2 3.93Å; L91-Y103 HydrophobicContact CB-CD1 3.94Å; L91-Y103 HydrophobicContact CB-CD2 3.97Å; L91-Y103 HydrophobicContact CB-CE1 3.72Å; L91-Y103 HydrophobicContact CB-CE2 3.76Å; L91-Y103 HydrophobicContact CB-CG 4.05Å; L91-Y103 HydrophobicContact CD1-CD2 3.62Å; L91-Y103 HydrophobicContact CD1-CE2 3.81Å; L91-Y103 HydrophobicContact CD1-CG 4.22Å; L91-Y103 HydrophobicContact CD2-CG 4.32Å; L91-Y103 HydrophobicContact CG-CD2 4.25Å; L91-Y103 HydrophobicContact CG-CE2 4.38Å; L91-Y103 HydrophobicContact CG-CG 4.42Å; E92-Y103 VanDerWaalsContact CD-OH 3.25Å; E92-Y103 WeakPolarHBondContact CG-OH 3.27Å; E92-Y103 PolarHBondContact OE1-OH 3.05Å; Q95-Y103 HydrophobicContact CB-CE1 4.38Å; F101-Y103 HydrophobicContact CD1-CD1 4.33Å; F101-Y103 AromaticContact CE1-CD1 3.84Å; F101-Y103 HydrophobicContact CE1-CD1 3.84Å; F101-Y103 HydrophobicContact CE1-CG 4.25Å; Y103-V105 HydrophobicContact CD2-CG2 4.27Å; Y103-V105 HydrophobicContact CE2-CG2 4.31Å; Y103-K131 HydrophobicContact CE2-CB 4.42Å
104E98.8Very high97.6Very high1 Ų146.4 Ų46.41%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-142.3153.8162.164.1180179.300110.7K65 L67 S68 V69 I106 K131 R133 R155K65-E104 HydrophobicContact CG-CB 4.45Å; K65-E104 HydrophobicContact CG-CG 4.28Å; L67-E104 PolarHBondContact O-N 3.18Å; S68-E104 CarbonylContact C-O 3.54Å; S68-E104 WeakPolarHBondContact CA-O 3.44Å; S68-E104 WeakPolarHBondContact OG-CG 3.46Å; S68-E104 PolarHBondContact OG-OE1 2.88Å; V69-E104 PolarHBondContact N-O 3Å; E104-I106 HydrophobicContact CG-CG1 4.37Å; E104-K131 CarbonylContact C-O 3.57Å; E104-K131 VanDerWaalsContact CA-O 3.3Å; E104-K131 WeakPolarHBondContact CA-O 3.42Å; E104-R133 VanDerWaalsContact CD-NH2 3.27Å; E104-R133 IonicContact OE1-NH2 2.74Å; E104-R133 PolarHBondContact OE1-NH2 3.41Å; E104-R133 IonicContact OE2-CZ 3.9Å; E104-R133 IonicContact OE2-NH1 2.91Å; E104-R133 PolarHBondContact OE2-NH1 3.46Å; E104-R133 VanDerWaalsContact OE2-NH1 3.14Å; E104-R133 IonicContact OE2-NH2 3.2Å; E104-R133 PolarHBondContact OE2-NH2 3.43Å; E104-R155 WeakPolarHBondContact OE1-CB 3.45Å; E104-R155 PolarHBondContact OE1-N 2.69Å; E104-R155 IonicContact OE1-NE 3.53Å; E104-R155 IonicContact OE2-CZ 2.83Å; E104-R155 VanDerWaalsContact OE2-CZ 3.22Å; E104-R155 IonicContact OE2-NE 2.64Å; E104-R155 PolarHBondContact OE2-NE 3.38Å; E104-R155 IonicContact OE2-NH2 3.22Å; E104-R155 PolarHBondContact OE2-NH2 3.38Å
105V98.9Very high97.6Very high0 Ų051.6 Ų51.60%026%0.261CS..EExtended strand (participates in β ladder)trans-116.7124.1171.3-174.20000108.4V69 V71 M84 L88 L91 Y103 K131 V132 R133V69-V105 HydrophobicContact CB-CG1 4.36Å; V69-V105 HydrophobicContact CB-CG2 4.24Å; V69-V105 HydrophobicContact CG2-CG2 4.48Å; V69-V105 CarbonylContact O-C 3.51Å; V69-V105 WeakPolarHBondContact O-CA 3.46Å; V71-V105 HydrophobicContact CG2-CG1 4.02Å; M84-V105 HydrophobicContact CE-CB 4.43Å; M84-V105 HydrophobicContact CE-CG1 3.83Å; M84-V105 HydrophobicContact SD-CG1 3.92Å; L88-V105 HydrophobicContact CD2-CG2 3.95Å; L91-V105 HydrophobicContact CD1-CG2 3.79Å; Y103-V105 HydrophobicContact CD2-CG2 4.27Å; Y103-V105 HydrophobicContact CE2-CG2 4.31Å; V105-K131 PolarHBondContact N-O 3.46Å; V105-V132 HydrophobicContact CB-CG2 4.45Å; V105-V132 CarbonylContact O-C 3.59Å; V105-V132 VanDerWaalsContact O-CA 3.3Å; V105-V132 WeakPolarHBondContact O-CA 3.26Å; V105-R133 PolarHBondContact O-N 3.33Å
106I98.8Very high97.6Very high0 Ų049.5 Ų49.50%025%0.251CS..EExtended strand (participates in β ladder)trans-112102.7-179.4-53.4172.1000107.2V69 V70 V71 E104 V108 R133 I135V69-I106 PolarHBondContact O-N 3.49Å; V70-I106 HydrophobicContact CG2-CD1 4.47Å; V71-I106 PolarHBondContact N-O 2.84Å; E104-I106 HydrophobicContact CG-CG1 4.37Å; I106-V108 HydrophobicContact CG2-CG2 4.05Å; I106-R133 WeakPolarHBondContact CA-O 3.49Å; I106-I135 HydrophobicContact CG2-CD1 3.55Å; I106-I135 HydrophobicContact CG2-CG1 4Å
107V98.8Very high97.6Very high0 Ų043 Ų430%023%0.227CC..EExtended strand (participates in β ladder)trans-82.7120.8170.4-175.80000108V71 S73 L80 M84 A120 R133 V134 I135V71-V107 HydrophobicContact CB-CG2 4.48Å; S73-V107 WeakPolarHBondContact OG-CG1 3.49Å; L80-V107 HydrophobicContact CD1-CG1 4.37Å; L80-V107 HydrophobicContact CD2-CG1 4.08Å; M84-V107 HydrophobicContact CE-CG2 3.89Å; M84-V107 HydrophobicContact SD-CG2 3.73Å; V107-A120 HydrophobicContact CB-CB 4.04Å; V107-A120 HydrophobicContact CG1-CB 3.77Å; V107-A120 HydrophobicContact CG2-CB 4.27Å; V107-R133 PolarHBondContact N-O 3.2Å; V107-V134 CarbonylContact O-C 3.46Å; V107-V134 WeakPolarHBondContact O-CA 3.45Å; V107-I135 PolarHBondContact O-N 3.41Å
108V98.6Very high97.6Very high0 Ų041.9 Ų41.90%023%0.226CC..EExtended strand (participates in β ladder)trans-105.7104.3175.5-1710000108.5V70 V71 S73 I106 D110 I135 L137 A146 M149V70-V108 HydrophobicContact CG1-CG2 4.28Å; V71-V108 PolarHBondContact O-N 3.11Å; S73-V108 PolarHBondContact N-O 3.27Å; I106-V108 HydrophobicContact CG2-CG2 4.05Å; V108-D110 PolarHBondContact O-N 3.24Å; V108-I135 CarbonylContact C-O 3.55Å; V108-I135 WeakPolarHBondContact CA-O 3.18Å; V108-I135 HydrophobicContact CG1-CB 4.35Å; V108-I135 HydrophobicContact CG1-CG2 4.43Å; V108-I135 HydrophobicContact CG2-CB 4.42Å; V108-I135 HydrophobicContact CG2-CD1 4.45Å; V108-L137 HydrophobicContact CG1-CD1 4.02Å; V108-L137 HydrophobicContact CG1-CD2 4.31Å; V108-L137 HydrophobicContact CG1-CG 4Å; V108-A146 HydrophobicContact CB-CB 4.35Å; V108-A146 HydrophobicContact CG1-CB 3.92Å; V108-A146 WeakPolarHBondContact CG1-O 3.32Å; V108-M149 HydrophobicContact CG1-CB 4.49Å
109D98.4Very high97.7Very high5 Ų539.9 Ų39.93%0.02722%0.217CC..EExtended strand (participates in β ladder)trans-78.4109.3172.1-173.2-9.2000109.7S73 G111 S112 T116 S117 I135 T136 L137S73-D109 WeakPolarHBondContact O-CA 3.49Å; D109-G111 PolarHBondContact O-N 3.46Å; D109-G111 PolarHBondContact OD1-N 3.08Å; D109-S112 WeakPolarHBondContact OD1-CA 3.48Å; D109-S112 WeakPolarHBondContact OD1-CB 3.35Å; D109-S112 PolarHBondContact OD1-N 2.97Å; D109-S112 PolarHBondContact OD1-OG 3.19Å; D109-T116 HydrophobicContact CB-CG2 4.47Å; D109-S117 WeakPolarHBondContact CB-OG 3.3Å; D109-S117 VanDerWaalsContact CG-OG 3.26Å; D109-S117 WeakPolarHBondContact OD2-CA 3.11Å; D109-S117 VanDerWaalsContact OD2-CB 3.26Å; D109-S117 WeakPolarHBondContact OD2-CB 3.44Å; D109-S117 PolarHBondContact OD2-N 3.21Å; D109-S117 PolarHBondContact OD2-OG 3.14Å; D109-I135 PolarHBondContact N-O 2.77Å; D109-T136 HydrophobicContact CB-CG2 4.46Å; D109-L137 PolarHBondContact O-N 3.13Å
110D97Very high97.8Very high5 Ų534.7 Ų34.73%0.02718%0.183CC..  trans-80.149.9-177.8-168.526.2000112.2S73 Y74 V108 N140 R141 G142 A146S73-D110 PolarHBondContact O-N 3.05Å; Y74-D110 HydrophobicContact CD2-CB 4.46Å; Y74-D110 WeakPolarHBondContact CD2-O 3.42Å; V108-D110 PolarHBondContact O-N 3.24Å; D110-N140 VanDerWaalsContact CG-ND2 3.25Å; D110-N140 WeakPolarHBondContact O-CA 3.27Å; D110-N140 WeakPolarHBondContact O-CB 3.26Å; D110-N140 PolarHBondContact O-ND2 2.62Å; D110-N140 WeakPolarHBondContact OD1-CA 3.47Å; D110-N140 PolarHBondContact OD2-ND2 2.96Å; D110-R141 PolarHBondContact OD1-N 3.03Å; D110-G142 VanDerWaalsContact OD2-C 3.26Å; D110-G142 VanDerWaalsContact OD2-CA 3.22Å; D110-G142 WeakPolarHBondContact OD2-CA 3.47Å; D110-G142 PolarHBondContact OD2-N 3.13Å; D110-A146 HydrophobicContact CB-CB 3.83Å
111G96.1Very high97.9Very high19 Ų1933.7 Ų33.720%0.19617%0.167CC..SBendtrans67.344.9179.100000113.7Y74 D109 L137Y74-G111 WeakPolarHBondContact CE2-O 3.26Å; D109-G111 PolarHBondContact O-N 3.46Å; D109-G111 PolarHBondContact OD1-N 3.08Å; G111-L137 WeakPolarHBondContact CA-O 3.3Å
112S97.1Very high98Very high24 Ų2439.7 Ų39.717%0.16819%0.193CC..  trans-58.3151.9178.3-61.30000112.9Y74 N75 D109 D114Y74-S112 WeakPolarHBondContact CA-OG 3.3Å; N75-S112 PolarHBondContact N-OG 3.21Å; N75-S112 WeakPolarHBondContact OD1-CA 3.19Å; N75-S112 WeakPolarHBondContact OD1-CB 3.34Å; D109-S112 WeakPolarHBondContact OD1-CA 3.48Å; D109-S112 WeakPolarHBondContact OD1-CB 3.35Å; D109-S112 PolarHBondContact OD1-N 2.97Å; D109-S112 PolarHBondContact OD1-OG 3.19Å; S112-D114 WeakPolarHBondContact CB-OD1 3.3Å
113K96.3Very high98Very high187 Ų18738.8 Ų38.881%0.81319%0.185SC*.SBendtrans-100.2-9175-62.7-175.3178.2-176.70112.8N75N75-K113 PolarHBondContact OD1-N 3.33Å
114D96.6Very high97.9Very high47 Ų4738.7 Ų38.725%0.25119%0.185SC..SBendtrans-99.4-162.4177.675.1-6.1000111.1N75 E76 E77 S112 T116N75-D114 VanDerWaalsContact CA-CG 3.48Å; N75-D114 WeakPolarHBondContact CA-OD2 3.41Å; E76-D114 PolarHBondContact N-OD2 2.98Å; E77-D114 HydrophobicContact CB-CB 4.49Å; E77-D114 WeakPolarHBondContact CB-OD2 3.19Å; E77-D114 HydrophobicContact CG-CB 4.27Å; E77-D114 WeakPolarHBondContact CG-OD2 3.32Å; E77-D114 PolarHBondContact N-OD2 2.78Å; E77-D114 VanDerWaalsContact N-OD2 3.13Å; S112-D114 WeakPolarHBondContact CB-OD1 3.3Å; D114-T116 VanDerWaalsContact C-N 3.29Å; D114-T116 VanDerWaalsContact CG-OG1 3.27Å; D114-T116 PolarHBondContact O-N 2.82Å; D114-T116 WeakPolarHBondContact OD1-CB 3.43Å; D114-T116 PolarHBondContact OD1-N 3.42Å; D114-T116 PolarHBondContact OD1-OG1 2.8Å; D114-T116 PolarHBondContact OD2-OG1 3.4Å
115K97.9Very high97.9Very high137 Ų13743.9 Ų43.960%0.59621%0.209SC*.SBendtrans-88.718.9-178.1-59.2170.8-178.4166.40113.8E77 S117 K118 V119E77-K115 HydrophobicContact CB-CB 4.41Å; E77-K115 VanDerWaalsContact OE2-CB 3.23Å; E77-K115 WeakPolarHBondContact OE2-CB 3.47Å; E77-K115 PolarHBondContact OE2-N 3.15Å; K115-S117 PolarHBondContact O-N 3.1Å; K115-K118 HydrophobicContact CB-CB 4.38Å; K115-K118 WeakPolarHBondContact O-CB 3.45Å; K115-K118 PolarHBondContact O-N 2.97Å; K115-V119 WeakPolarHBondContact O-CG2 3.34Å; K115-V119 PolarHBondContact O-N 2.76Å
116T97.9Very high97.9Very high0 Ų050.9 Ų50.90%024%0.24CC..Hα-helixtrans-48.7-57.5-177.6-66.40000113E76 E77 L80 D109 D114 K118 V119 A120E76-T116 HydrophobicContact CB-CG2 4.48Å; E76-T116 PolarHBondContact N-OG1 2.75Å; E77-T116 PolarHBondContact N-OG1 2.83Å; L80-T116 HydrophobicContact CD2-CG2 4.28Å; D109-T116 HydrophobicContact CB-CG2 4.47Å; D114-T116 VanDerWaalsContact C-N 3.29Å; D114-T116 VanDerWaalsContact CG-OG1 3.27Å; D114-T116 PolarHBondContact O-N 2.82Å; D114-T116 WeakPolarHBondContact OD1-CB 3.43Å; D114-T116 PolarHBondContact OD1-N 3.42Å; D114-T116 PolarHBondContact OD1-OG1 2.8Å; D114-T116 PolarHBondContact OD2-OG1 3.4Å; T116-K118 VanDerWaalsContact C-N 3.28Å; T116-K118 PolarHBondContact O-N 2.86Å; T116-V119 PolarHBondContact O-N 2.66Å; T116-V119 VanDerWaalsContact O-N 3.13Å; T116-A120 PolarHBondContact O-N 3.25Å
117S97.3Very high97.9Very high29 Ų2953.6 Ų53.620%0.20325%0.25CS..Hα-helixtrans-53.6-42.6176.1-81.50000113.1D109 K115 A120 F121 T136D109-S117 WeakPolarHBondContact CB-OG 3.3Å; D109-S117 VanDerWaalsContact CG-OG 3.26Å; D109-S117 WeakPolarHBondContact OD2-CA 3.11Å; D109-S117 VanDerWaalsContact OD2-CB 3.26Å; D109-S117 WeakPolarHBondContact OD2-CB 3.44Å; D109-S117 PolarHBondContact OD2-N 3.21Å; D109-S117 PolarHBondContact OD2-OG 3.14Å; K115-S117 PolarHBondContact O-N 3.1Å; S117-A120 PolarHBondContact O-N 3.11Å; S117-F121 VanDerWaalsContact O-CB 3.3Å; S117-F121 WeakPolarHBondContact O-CB 3.39Å; S117-F121 PolarHBondContact O-N 3.36Å; S117-T136 PolarHBondContact OG-OG1 2.8Å
118K98Very high97.8Very high143 Ų14354.8 Ų54.862%0.62226%0.262SS*.Hα-helixtrans-67.2-38.5-179.4-175.7174-177.7171.30111.7K115 T116 K122K115-K118 HydrophobicContact CB-CB 4.38Å; K115-K118 WeakPolarHBondContact O-CB 3.45Å; K115-K118 PolarHBondContact O-N 2.97Å; T116-K118 VanDerWaalsContact C-N 3.28Å; T116-K118 PolarHBondContact O-N 2.86Å; K118-K122 PolarHBondContact O-N 2.81Å
119V98.3Very high97.7Very high25 Ų2555.7 Ų55.715%0.15227%0.269CS..Hα-helixtrans-65.2-50.2175.21700000110.2E77 L80 P81 K115 T116 F121 K122 Y123E77-V119 HydrophobicContact CB-CG2 4.28Å; L80-V119 HydrophobicContact CD2-CG1 4.42Å; P81-V119 HydrophobicContact CG-CG1 3.68Å; K115-V119 WeakPolarHBondContact O-CG2 3.34Å; K115-V119 PolarHBondContact O-N 2.76Å; T116-V119 PolarHBondContact O-N 2.66Å; T116-V119 VanDerWaalsContact O-N 3.13Å; V119-F121 VanDerWaalsContact C-N 3.27Å; V119-F121 PolarHBondContact O-N 2.83Å; V119-K122 WeakPolarHBondContact O-CB 3.38Å; V119-K122 PolarHBondContact O-N 2.73Å; V119-Y123 HydrophobicContact CG1-CE2 4.43Å; V119-Y123 WeakPolarHBondContact O-CD2 3.46Å
120A98.4Very high97.7Very high0 Ų059.3 Ų59.30%029%0.288CS..Hα-helixtrans-58-40.1177.300000112.1L80 V107 T116 S117 K122 Y123 C124 V134L80-A120 HydrophobicContact CD2-CB 3.87Å; V107-A120 HydrophobicContact CB-CB 4.04Å; V107-A120 HydrophobicContact CG1-CB 3.77Å; V107-A120 HydrophobicContact CG2-CB 4.27Å; T116-A120 PolarHBondContact O-N 3.25Å; S117-A120 PolarHBondContact O-N 3.11Å; A120-K122 VanDerWaalsContact C-N 3.28Å; A120-K122 PolarHBondContact O-N 2.82Å; A120-Y123 WeakPolarHBondContact O-CB 3.18Å; A120-Y123 PolarHBondContact O-N 2.75Å; A120-C124 PolarHBondContact O-N 3.37Å; A120-V134 HydrophobicContact CB-CB 4.48Å; A120-V134 HydrophobicContact CB-CG1 3.97Å; A120-V134 HydrophobicContact CB-CG2 3.63Å
121F98.4Very high97.7Very high43 Ų4360.9 Ų60.919%0.18930%0.295CS..Hα-helixtrans-64.5-30.4-179-170.6-111.4000113L47 N48 S117 V119 Y123 C124 Q125L47-F121 HydrophobicContact CB-CE2 3.8Å; L47-F121 HydrophobicContact CB-CZ 4.38Å; N48-F121 VanDerWaalsContact O-CE2 3.31Å; N48-F121 WeakPolarHBondContact O-CE2 3.26Å; N48-F121 WeakPolarHBondContact O-CZ 3.45Å; S117-F121 VanDerWaalsContact O-CB 3.3Å; S117-F121 WeakPolarHBondContact O-CB 3.39Å; S117-F121 PolarHBondContact O-N 3.36Å; V119-F121 VanDerWaalsContact C-N 3.27Å; V119-F121 PolarHBondContact O-N 2.83Å; F121-Y123 PolarHBondContact O-N 2.84Å; F121-C124 HydrophobicContact CD2-CB 4.16Å; F121-C124 WeakPolarHBondContact O-CA 3.49Å; F121-C124 WeakPolarHBondContact O-CB 3.41Å; F121-C124 PolarHBondContact O-N 3.17Å; F121-C124 VanDerWaalsContact O-N 3.11Å; F121-Q125 HydrophobicContact CD1-CG 4Å; F121-Q125 VanDerWaalsContact CE1-CD 3.49Å; F121-Q125 HydrophobicContact CE1-CG 3.69Å; F121-Q125 HydrophobicContact CZ-CG 4.07Å; F121-Q125 WeakPolarHBondContact O-CG 3.46Å; F121-Q125 PolarHBondContact O-N 3.23Å
122K98.4Very high97.9Very high127 Ų12760 Ų6055%0.55229%0.285SS*.Hα-helixtrans-60.5-34.5172.8-67.1176.5179.1-176.20112.2K118 V119 A120 Q125 K126K118-K122 PolarHBondContact O-N 2.81Å; V119-K122 WeakPolarHBondContact O-CB 3.38Å; V119-K122 PolarHBondContact O-N 2.73Å; A120-K122 VanDerWaalsContact C-N 3.28Å; A120-K122 PolarHBondContact O-N 2.82Å; K122-Q125 PolarHBondContact O-N 3.47Å; K122-K126 WeakPolarHBondContact O-CB 3.36Å; K122-K126 PolarHBondContact O-N 3.06Å
123Y98.6Very high97.9Very high20 Ų2059.2 Ų59.28%0.07828%0.278CS..Hα-helixtrans-69.8-40.2174.2-70.8-88.2000111.6P81 M84 D85 L88 V119 A120 F121 Q125 K126 Y127P81-Y123 VanDerWaalsContact CA-OH 3.29Å; P81-Y123 WeakPolarHBondContact CA-OH 3.41Å; P81-Y123 PolarHBondContact O-OH 3.37Å; M84-Y123 HydrophobicContact CB-CD1 4.01Å; M84-Y123 HydrophobicContact CB-CD2 4.27Å; M84-Y123 HydrophobicContact CB-CE1 3.65Å; M84-Y123 HydrophobicContact CB-CE2 3.95Å; M84-Y123 HydrophobicContact CB-CG 4.31Å; M84-Y123 HydrophobicContact CE-CD1 4.39Å; M84-Y123 HydrophobicContact CE-CG 4.15Å; M84-Y123 HydrophobicContact CG-CD2 4.43Å; M84-Y123 HydrophobicContact CG-CE2 4.37Å; D85-Y123 VanDerWaalsContact CG-OH 3.28Å; D85-Y123 WeakPolarHBondContact OD1-CE1 3.38Å; D85-Y123 PolarHBondContact OD1-OH 3.16Å; L88-Y123 HydrophobicContact CD1-CD1 3.52Å; L88-Y123 HydrophobicContact CD1-CE1 4.17Å; L88-Y123 HydrophobicContact CD1-CG 4.38Å; V119-Y123 HydrophobicContact CG1-CE2 4.43Å; V119-Y123 WeakPolarHBondContact O-CD2 3.46Å; A120-Y123 WeakPolarHBondContact O-CB 3.18Å; A120-Y123 PolarHBondContact O-N 2.75Å; F121-Y123 PolarHBondContact O-N 2.84Å; Y123-Q125 VanDerWaalsContact C-N 3.34Å; Y123-Q125 PolarHBondContact O-N 3.17Å; Y123-K126 PolarHBondContact O-N 2.73Å; Y123-Y127 HydrophobicContact CD1-CD2 4.35Å; Y123-Y127 AromaticContact CD1-CE2 3.99Å; Y123-Y127 HydrophobicContact CD1-CE2 3.99Å; Y123-Y127 WeakPolarHBondContact O-CD2 3.31Å; Y123-Y127 PolarHBondContact O-N 2.93Å
124C98.4Very high98Very high0 Ų050.8 Ų50.80%024%0.243CC..Hα-helixtrans-56.8-46.3170.8179.90000111.7A120 F121 K126 G128 S129 V132 V134A120-C124 PolarHBondContact O-N 3.37Å; F121-C124 HydrophobicContact CD2-CB 4.16Å; F121-C124 WeakPolarHBondContact O-CA 3.49Å; F121-C124 WeakPolarHBondContact O-CB 3.41Å; F121-C124 PolarHBondContact O-N 3.17Å; F121-C124 VanDerWaalsContact O-N 3.11Å; C124-K126 PolarHBondContact O-N 2.86Å; C124-G128 CarbonylContact O-C 3.37Å; C124-G128 WeakPolarHBondContact O-CA 3.36Å; C124-G128 PolarHBondContact O-N 2.88Å; C124-S129 PolarHBondContact SG-OG 3.5Å; C124-S129 VanDerWaalsContact SG-OG 3.35Å; C124-V132 HydrophobicContact CB-CB 4.5Å; C124-V132 HydrophobicContact CB-CG1 4.22Å; C124-V132 PolarHBondContact SG-O 3.36Å; C124-V134 HydrophobicContact CB-CG2 4.44Å
125Q98.4Very high98.1Very high110 Ų11048.6 Ų48.651%0.51423%0.231SC..Hα-helixtrans-64.2-39.2177.5-67.5-176.1-50.700112.7F121 K122 Y123F121-Q125 HydrophobicContact CD1-CG 4Å; F121-Q125 VanDerWaalsContact CE1-CD 3.49Å; F121-Q125 HydrophobicContact CE1-CG 3.69Å; F121-Q125 HydrophobicContact CZ-CG 4.07Å; F121-Q125 WeakPolarHBondContact O-CG 3.46Å; F121-Q125 PolarHBondContact O-N 3.23Å; K122-Q125 PolarHBondContact O-N 3.47Å; Y123-Q125 VanDerWaalsContact C-N 3.34Å; Y123-Q125 PolarHBondContact O-N 3.17Å
126K98.2Very high98Very high148 Ų14845.5 Ų45.564%0.64322%0.224SC*.Hα-helixtrans-73.4-42.9-177.8179.2175.9171.4-176.50113.4K122 Y123 C124K122-K126 WeakPolarHBondContact O-CB 3.36Å; K122-K126 PolarHBondContact O-N 3.06Å; Y123-K126 PolarHBondContact O-N 2.73Å; C124-K126 PolarHBondContact O-N 2.86Å
127Y98.1Very high98Very high57 Ų5745.7 Ų45.722%0.22423%0.225CC..Hα-helixtrans-102.9-10.4-173.1-69.3-92000113.6L88 E92 Y123L88-Y127 HydrophobicContact CB-CE1 4.16Å; L88-Y127 HydrophobicContact CB-CE2 4.42Å; L88-Y127 HydrophobicContact CD1-CD2 3.73Å; L88-Y127 HydrophobicContact CD1-CE1 4.45Å; L88-Y127 HydrophobicContact CD1-CE2 3.5Å; L88-Y127 HydrophobicContact CD1-CG 4.29Å; L88-Y127 HydrophobicContact CD2-CD1 4.5Å; L88-Y127 HydrophobicContact CG-CE2 4.48Å; E92-Y127 HydrophobicContact CG-CE1 4.06Å; Y123-Y127 HydrophobicContact CD1-CD2 4.35Å; Y123-Y127 AromaticContact CD1-CE2 3.99Å; Y123-Y127 HydrophobicContact CD1-CE2 3.99Å; Y123-Y127 WeakPolarHBondContact O-CD2 3.31Å; Y123-Y127 PolarHBondContact O-N 2.93Å
128G98.1Very high97.8Very high24 Ų2448.1 Ų48.125%0.24724%0.238CC..  trans85.9153-176.100000113.2C124 D130 K131 V132C124-G128 CarbonylContact O-C 3.37Å; C124-G128 WeakPolarHBondContact O-CA 3.36Å; C124-G128 PolarHBondContact O-N 2.88Å; G128-D130 PolarHBondContact O-N 2.88Å; G128-K131 PolarHBondContact O-N 3.26Å; G128-V132 PolarHBondContact O-N 3.43Å
129S96.9Very high97.6Very high20 Ų2047.2 Ų47.214%0.1423%0.234CC..THydrogen-bonded Turntrans-66.4-17.3-177.6-61.10000115.2N48 A49 C124 K131 V132 R133N48-S129 VanDerWaalsContact C-OG 3.27Å; N48-S129 WeakPolarHBondContact CA-OG 3.44Å; N48-S129 WeakPolarHBondContact CB-OG 3.41Å; A49-S129 PolarHBondContact N-OG 2.81Å; C124-S129 PolarHBondContact SG-OG 3.5Å; C124-S129 VanDerWaalsContact SG-OG 3.35Å; S129-K131 VanDerWaalsContact C-N 3.33Å; S129-V132 WeakPolarHBondContact CA-O 3.33Å; S129-R133 WeakPolarHBondContact O-CG 3.14Å
130D97.1Very high97.4Very high80 Ų8048.3 Ų48.343%0.42824%0.239SC..THydrogen-bonded Turntrans-73.2-28.3174-175.655.1000112.3K65 G128 R155K65-D130 VanDerWaalsContact CE-OD1 3.24Å; K65-D130 WeakPolarHBondContact CE-OD1 3.42Å; K65-D130 IonicContact NZ-OD1 3.36Å; K65-D130 PolarHBondContact NZ-OD1 2.89Å; K65-D130 IonicContact NZ-OD2 3.14Å; K65-D130 PolarHBondContact NZ-OD2 2.89Å; G128-D130 PolarHBondContact O-N 2.88Å; D130-R155 PolarHBondContact O-NH2 3.48Å; D130-R155 IonicContact OD1-CZ 3.34Å; D130-R155 IonicContact OD1-NH1 2.89Å; D130-R155 PolarHBondContact OD1-NH1 3.19Å; D130-R155 IonicContact OD1-NH2 2.62Å; D130-R155 PolarHBondContact OD1-NH2 3.13Å
131K98.1Very high97Very high39 Ų3949.1 Ų49.117%0.1724%0.242CC..THydrogen-bonded Turntrans-101.6-32.3179.4-73.3-176.4169.1-173.20113.4E92 Q95 Y103 E104 V105 G128 S129E92-K131 WeakPolarHBondContact OE1-CD 3.22Å; E92-K131 IonicContact OE1-NZ 2.68Å; E92-K131 PolarHBondContact OE1-NZ 2.83Å; E92-K131 IonicContact OE2-NZ 3.07Å; E92-K131 PolarHBondContact OE2-NZ 3.28Å; E92-K131 VanDerWaalsContact OE2-NZ 3.07Å; Q95-K131 VanDerWaalsContact OE1-CE 3.22Å; Y103-K131 HydrophobicContact CE2-CB 4.42Å; E104-K131 CarbonylContact C-O 3.57Å; E104-K131 VanDerWaalsContact CA-O 3.3Å; E104-K131 WeakPolarHBondContact CA-O 3.42Å; V105-K131 PolarHBondContact N-O 3.46Å; G128-K131 PolarHBondContact O-N 3.26Å; S129-K131 VanDerWaalsContact C-N 3.33Å
132V98.7Very high96.7Very high0 Ų047.3 Ų47.30%024%0.236CC..EExtended strand (participates in β ladder)trans-134124.5-178.5178.90000110.4M84 L88 V105 C124 G128 S129M84-V132 HydrophobicContact CE-CG1 4.23Å; L88-V132 HydrophobicContact CD1-CG2 4.18Å; L88-V132 HydrophobicContact CD2-CG2 3.91Å; V105-V132 HydrophobicContact CB-CG2 4.45Å; V105-V132 CarbonylContact O-C 3.59Å; V105-V132 VanDerWaalsContact O-CA 3.3Å; V105-V132 WeakPolarHBondContact O-CA 3.26Å; C124-V132 HydrophobicContact CB-CB 4.5Å; C124-V132 HydrophobicContact CB-CG1 4.22Å; C124-V132 PolarHBondContact SG-O 3.36Å; G128-V132 PolarHBondContact O-N 3.43Å; S129-V132 WeakPolarHBondContact CA-O 3.33Å
133R98.3Very high96.5Very high7 Ų743.5 Ų43.53%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-119.5149.2171.5-70.8-161.4-65.5-103.5-6.6111.2F46 E104 V105 I106 V107 S129 S153 R155F46-R133 HydrophobicContact CD2-CB 4.34Å; F46-R133 HydrophobicContact CD2-CG 3.94Å; F46-R133 HydrophobicContact CE2-CG 3.75Å; F46-R133 HydrophobicContact CZ-CG 4.23Å; E104-R133 VanDerWaalsContact CD-NH2 3.27Å; E104-R133 IonicContact OE1-NH2 2.74Å; E104-R133 PolarHBondContact OE1-NH2 3.41Å; E104-R133 IonicContact OE2-CZ 3.9Å; E104-R133 IonicContact OE2-NH1 2.91Å; E104-R133 PolarHBondContact OE2-NH1 3.46Å; E104-R133 VanDerWaalsContact OE2-NH1 3.14Å; E104-R133 IonicContact OE2-NH2 3.2Å; E104-R133 PolarHBondContact OE2-NH2 3.43Å; V105-R133 PolarHBondContact O-N 3.33Å; I106-R133 WeakPolarHBondContact CA-O 3.49Å; V107-R133 PolarHBondContact N-O 3.2Å; S129-R133 WeakPolarHBondContact O-CG 3.14Å; R133-S153 PolarHBondContact NH2-O 2.88Å; R133-R155 VanDerWaalsContact NH1-CZ 3.28Å
134V98.4Very high96.3Very high11 Ų1142.5 Ų42.57%0.06722%0.216CC..EExtended strand (participates in β ladder)trans-120.2120.7173.9-171.90000108.6F46 V107 A120 C124F46-V134 WeakPolarHBondContact CB-O 3.39Å; V107-V134 CarbonylContact O-C 3.46Å; V107-V134 WeakPolarHBondContact O-CA 3.45Å; A120-V134 HydrophobicContact CB-CB 4.48Å; A120-V134 HydrophobicContact CB-CG1 3.97Å; A120-V134 HydrophobicContact CB-CG2 3.63Å; C124-V134 HydrophobicContact CB-CG2 4.44Å
135I97.8Very high96.1Very high0 Ų042.5 Ų42.50%022%0.216CC..EExtended strand (participates in β ladder)trans-106.6119.5173.7-57.7176.7000106.9L56 I106 V107 V108 D109 L137L56-I135 HydrophobicContact CD1-CD1 4.03Å; L56-I135 HydrophobicContact CD1-CG1 4.04Å; L56-I135 HydrophobicContact CD1-CG2 4.25Å; L56-I135 HydrophobicContact CD2-CD1 3.87Å; L56-I135 HydrophobicContact CD2-CG1 3.87Å; I106-I135 HydrophobicContact CG2-CD1 3.55Å; I106-I135 HydrophobicContact CG2-CG1 4Å; V107-I135 PolarHBondContact O-N 3.41Å; V108-I135 CarbonylContact C-O 3.55Å; V108-I135 WeakPolarHBondContact CA-O 3.18Å; V108-I135 HydrophobicContact CG1-CB 4.35Å; V108-I135 HydrophobicContact CG1-CG2 4.43Å; V108-I135 HydrophobicContact CG2-CB 4.42Å; V108-I135 HydrophobicContact CG2-CD1 4.45Å; D109-I135 PolarHBondContact N-O 2.77Å; I135-L137 HydrophobicContact CG2-CD2 4.04Å
136T97.1Very high96Very high73 Ų7337.3 Ų37.345%0.44819%0.191SC..EExtended strand (participates in β ladder)trans-105.2118.8177.6-53.40000109.2D109 S117D109-T136 HydrophobicContact CB-CG2 4.46Å; S117-T136 PolarHBondContact OG-OG1 2.8Å
137L96.4Very high95.9Very high4 Ų430.2 Ų30.22%0.02116%0.161CC..  trans-82.7145177.8-55.8-173.2000110.8E43 V108 D109 G111 I135 K139 R141 A146 M149E43-L137 HydrophobicContact CG-CD2 4.15Å; V108-L137 HydrophobicContact CG1-CD1 4.02Å; V108-L137 HydrophobicContact CG1-CD2 4.31Å; V108-L137 HydrophobicContact CG1-CG 4Å; D109-L137 PolarHBondContact O-N 3.13Å; G111-L137 WeakPolarHBondContact CA-O 3.3Å; I135-L137 HydrophobicContact CG2-CD2 4.04Å; L137-K139 VanDerWaalsContact C-N 3.25Å; L137-K139 PolarHBondContact O-N 3.24Å; L137-R141 HydrophobicContact CD1-CG 4.34Å; L137-A146 HydrophobicContact CD1-CB 4.27Å; L137-M149 HydrophobicContact CD1-CG 4.16Å; L137-M149 HydrophobicContact CD2-CB 4.12Å; L137-M149 HydrophobicContact CD2-CG 3.89Å
138V94.4Very high95.8Very high80 Ų8028.1 Ų28.149%0.48515%0.152SC..SBendtrans-65.6-33-176.8174.30000111.4H40 E42 E43H40-V138 HydrophobicContact CB-CG2 3.78Å; E42-V138 HydrophobicContact CB-CG2 4.33Å; E43-V138 HydrophobicContact CG-CG2 4.04Å; E43-V138 PolarHBondContact OE1-N 3.32Å
139K92.6Very high95.7Very high124 Ų12427 Ų2754%0.53914%0.141SC..SBendtrans-144.5156.3179.166.9-176.5179.5-1740110.7L137 R141L137-K139 VanDerWaalsContact C-N 3.25Å; L137-K139 PolarHBondContact O-N 3.24Å; K139-R141 PolarHBondContact O-N 3.49Å
140N94.1Very high95.8Very high47 Ų4726.1 Ų26.125%0.25113%0.134SC..  trans-65.3115.9173.6-175.1-96.5000111.7Y74 D110Y74-N140 WeakPolarHBondContact CD2-ND2 3.32Å; Y74-N140 HydrophobicContact CE2-CB 4.07Å; Y74-N140 VanDerWaalsContact CE2-ND2 3.34Å; Y74-N140 WeakPolarHBondContact CE2-ND2 3.36Å; D110-N140 VanDerWaalsContact CG-ND2 3.25Å; D110-N140 WeakPolarHBondContact O-CA 3.27Å; D110-N140 WeakPolarHBondContact O-CB 3.26Å; D110-N140 PolarHBondContact O-ND2 2.62Å; D110-N140 WeakPolarHBondContact OD1-CA 3.47Å; D110-N140 PolarHBondContact OD2-ND2 2.96Å
141R91Very high95.8Very high17 Ų1722.3 Ų22.36%0.06411%0.114CC..  trans-95.9-30.5176.7-57-176.2-176-138.1-12.2111.7H38 E43 D110 L137 K139H38-R141 PolarHBondContact O-NH1 2.86Å; H38-R141 PolarHBondContact O-NH2 2.88Å; E43-R141 IonicContact OE1-CZ 3.17Å; E43-R141 IonicContact OE1-NE 2.77Å; E43-R141 IonicContact OE1-NH2 3.52Å; E43-R141 PolarHBondContact OE1-NH2 3.43Å; E43-R141 IonicContact OE2-CZ 3.28Å; E43-R141 IonicContact OE2-NH2 3.41Å; E43-R141 PolarHBondContact OE2-NH2 2.92Å; D110-R141 PolarHBondContact OD1-N 3.03Å; L137-R141 HydrophobicContact CD1-CG 4.34Å; K139-R141 PolarHBondContact O-N 3.49Å
142G91.9Very high95.8Very high6 Ų621.4 Ų21.46%0.06211%0.11CC..  trans111.4162.2-169.600000111.3D110 G144 G145 A146 E256D110-G142 VanDerWaalsContact OD2-C 3.26Å; D110-G142 VanDerWaalsContact OD2-CA 3.22Å; D110-G142 WeakPolarHBondContact OD2-CA 3.47Å; D110-G142 PolarHBondContact OD2-N 3.13Å; G142-G144 PolarHBondContact O-N 3.26Å; G142-G145 WeakPolarHBondContact O-CA 3.23Å; G142-G145 PolarHBondContact O-N 3.23Å; G142-A146 PolarHBondContact O-N 3.06Å; G142-E256 CarbonylContact C-O 3.57Å; G142-E256 WeakPolarHBondContact CA-O 3.46Å
143K93.2Very high95.8Very high46 Ų4621.4 Ų21.420%0.211%0.11CC..Hα-helixtrans-50.3-49.9-175.8178.5171.9168.1179.40112.9P72 G145 A146 I147 D163 E256 F260P72-K143 HydrophobicContact CB-CG 4.39Å; P72-K143 HydrophobicContact CG-CG 4.12Å; K143-G145 VanDerWaalsContact C-N 3.34Å; K143-G145 PolarHBondContact O-N 3.14Å; K143-A146 PolarHBondContact O-N 2.91Å; K143-I147 HydrophobicContact CD-CD1 4.44Å; K143-I147 HydrophobicContact CG-CD1 3.61Å; K143-I147 HydrophobicContact CG-CG1 4.48Å; K143-I147 WeakPolarHBondContact O-CD1 2.76Å; K143-I147 VanDerWaalsContact O-CG1 3.25Å; K143-I147 WeakPolarHBondContact O-CG1 3.19Å; K143-I147 PolarHBondContact O-N 2.74Å; K143-D163 WeakPolarHBondContact CE-OD1 3.12Å; K143-D163 VanDerWaalsContact NZ-CG 3.34Å; K143-D163 IonicContact NZ-OD1 2.64Å; K143-D163 PolarHBondContact NZ-OD1 3.43Å; K143-D163 IonicContact NZ-OD2 3.54Å; K143-D163 PolarHBondContact NZ-OD2 3.31Å; K143-E256 PolarHBondContact N-O 3.24Å; K143-F260 HydrophobicContact CB-CE1 4.25Å; K143-F260 HydrophobicContact CD-CE1 3.85Å; K143-F260 HydrophobicContact CD-CZ 4.32Å; K143-F260 HydrophobicContact CG-CE1 3.72Å; K143-F260 HydrophobicContact CG-CZ 4.12Å
144G94.3Very high95.8Very high0 Ų021 Ų210%011%0.109CC..Hα-helixtrans-62.7-38.6178.500000113.1G142 R148 E256 F260G142-G144 PolarHBondContact O-N 3.26Å; G144-R148 VanDerWaalsContact O-CB 3.25Å; G144-R148 WeakPolarHBondContact O-CB 2.85Å; G144-R148 PolarHBondContact O-N 3.4Å; G144-E256 VanDerWaalsContact CA-O 3.3Å; G144-E256 WeakPolarHBondContact CA-O 3.45Å; G144-E256 PolarHBondContact N-O 3.01Å; G144-F260 VanDerWaalsContact CA-CG 3.43Å
145G94.2Very high95.8Very high0 Ų022.5 Ų22.50%011%0.113CC..Hα-helixtrans-63.6-46.1174.200000112.2G142 K143 R148 M149 E256G142-G145 WeakPolarHBondContact O-CA 3.23Å; G142-G145 PolarHBondContact O-N 3.23Å; K143-G145 VanDerWaalsContact C-N 3.34Å; K143-G145 PolarHBondContact O-N 3.14Å; G145-R148 PolarHBondContact O-N 3.13Å; G145-M149 WeakPolarHBondContact O-CG 3.38Å; G145-M149 PolarHBondContact O-N 2.92Å; G145-E256 PolarHBondContact N-O 3.49Å; G145-E256 VanDerWaalsContact N-O 3.09Å
146A96.3Very high95.8Very high0 Ų022.5 Ų22.50%011%0.113CC..Hα-helixtrans-62.6-45.9176.800000112.5P72 V108 D110 L137 G142 K143 R148 M149 G150P72-A146 HydrophobicContact CB-CB 3.96Å; V108-A146 HydrophobicContact CB-CB 4.35Å; V108-A146 HydrophobicContact CG1-CB 3.92Å; V108-A146 WeakPolarHBondContact CG1-O 3.32Å; D110-A146 HydrophobicContact CB-CB 3.83Å; L137-A146 HydrophobicContact CD1-CB 4.27Å; G142-A146 PolarHBondContact O-N 3.06Å; K143-A146 PolarHBondContact O-N 2.91Å; A146-R148 VanDerWaalsContact C-N 3.34Å; A146-R148 PolarHBondContact O-N 2.91Å; A146-M149 PolarHBondContact O-N 3.09Å; A146-G150 PolarHBondContact O-N 3.42Å
147I97.2Very high95.8Very high0 Ų023.9 Ų23.90%011%0.114CC..Hα-helixtrans-59.9-47175.9-66.6155.9000110.3V70 P72 K143 M149 G150 I151 M161 F250 F260V70-I147 HydrophobicContact CG1-CG2 4.43Å; P72-I147 HydrophobicContact CB-CG1 3.84Å; P72-I147 HydrophobicContact CG-CD1 3.98Å; P72-I147 HydrophobicContact CG-CG1 3.57Å; K143-I147 HydrophobicContact CD-CD1 4.44Å; K143-I147 HydrophobicContact CG-CD1 3.61Å; K143-I147 HydrophobicContact CG-CG1 4.48Å; K143-I147 WeakPolarHBondContact O-CD1 2.76Å; K143-I147 VanDerWaalsContact O-CG1 3.25Å; K143-I147 WeakPolarHBondContact O-CG1 3.19Å; K143-I147 PolarHBondContact O-N 2.74Å; I147-M149 VanDerWaalsContact C-N 3.28Å; I147-M149 PolarHBondContact O-N 2.91Å; I147-G150 PolarHBondContact O-N 3.24Å; I147-I151 HydrophobicContact CG2-CD1 3.54Å; I147-I151 HydrophobicContact CG2-CG1 4.04Å; I147-I151 WeakPolarHBondContact O-CB 3.49Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 3.03Å; I147-M161 HydrophobicContact CD1-CG 4Å; I147-M161 HydrophobicContact CD1-SD 3.38Å; I147-M161 WeakPolarHBondContact CD1-SD 3.38Å; I147-M161 HydrophobicContact CG1-CG 4.21Å; I147-M161 HydrophobicContact CG1-SD 4.11Å; I147-M161 HydrophobicContact CG2-CG 4.24Å; I147-M161 HydrophobicContact CG2-SD 4Å; I147-F250 HydrophobicContact CB-CE1 4.31Å; I147-F250 HydrophobicContact CG2-CE1 3.57Å; I147-F250 HydrophobicContact CG2-CZ 3.68Å; I147-F260 HydrophobicContact CD1-CE1 4.07Å; I147-F260 HydrophobicContact CD1-CE2 3.5Å; I147-F260 VanDerWaalsContact CD1-CE2 3.5Å; I147-F260 HydrophobicContact CD1-CZ 3.22Å
148R96.1Very high96Very high13 Ų1325.8 Ų25.85%0.04912%0.122CC..Hα-helixtrans-55.2-44178.3-176.6166.667.7161.18.4111.7L37 G144 G145 A146 I151 F152 F250 L253 E256L37-R148 HydrophobicContact CD1-CG 4.24Å; L37-R148 VanDerWaalsContact CD1-NE 3.29Å; G144-R148 VanDerWaalsContact O-CB 3.25Å; G144-R148 WeakPolarHBondContact O-CB 2.85Å; G144-R148 PolarHBondContact O-N 3.4Å; G145-R148 PolarHBondContact O-N 3.13Å; A146-R148 VanDerWaalsContact C-N 3.34Å; A146-R148 PolarHBondContact O-N 2.91Å; R148-I151 PolarHBondContact O-N 3.32Å; R148-F152 HydrophobicContact CG-CD2 3.89Å; R148-F152 HydrophobicContact CG-CE2 3.44Å; R148-F152 VanDerWaalsContact CG-CE2 3.44Å; R148-F152 HydrophobicContact CG-CZ 3.86Å; R148-F152 WeakPolarHBondContact O-CB 3.32Å; R148-F152 WeakPolarHBondContact O-CG 3.47Å; R148-F152 PolarHBondContact O-N 3.41Å; R148-F250 HydrophobicContact CB-CD1 3.94Å; R148-F250 WeakPolarHBondContact CD-O 3.49Å; R148-F250 HydrophobicContact CG-CB 4.33Å; R148-F250 HydrophobicContact CG-CD1 4.29Å; R148-L253 PolarHBondContact NH1-O 2.87Å; R148-E256 IonicContact CZ-OE1 2.78Å; R148-E256 IonicContact NE-OE1 2.99Å; R148-E256 IonicContact NH2-OE1 3.14Å; R148-E256 PolarHBondContact NH2-OE1 3.27Å
149M96.6Very high96.2Very high1 Ų122 Ų221%0.00510%0.099CC..Hα-helixtrans-64.1-40.2176.2-66.6-50.9-60.600113L37 R39 V108 L137 G145 A146 I147 S153L37-M149 HydrophobicContact CD1-SD 3.91Å; R39-M149 HydrophobicContact CB-CE 4.3Å; R39-M149 HydrophobicContact CG-CE 3.67Å; V108-M149 HydrophobicContact CG1-CB 4.49Å; L137-M149 HydrophobicContact CD1-CG 4.16Å; L137-M149 HydrophobicContact CD2-CB 4.12Å; L137-M149 HydrophobicContact CD2-CG 3.89Å; G145-M149 WeakPolarHBondContact O-CG 3.38Å; G145-M149 PolarHBondContact O-N 2.92Å; A146-M149 PolarHBondContact O-N 3.09Å; I147-M149 VanDerWaalsContact C-N 3.28Å; I147-M149 PolarHBondContact O-N 2.91Å; M149-S153 WeakPolarHBondContact O-CB 3.43Å; M149-S153 PolarHBondContact O-N 3.14Å; M149-S153 PolarHBondContact O-OG 3.15Å
150G98Very high96.5Very high0 Ų016.1 Ų16.10%07%0.074CC..Hα-helixtrans-66.4-4317600000112.8A146 I147 S153 S154A146-G150 PolarHBondContact O-N 3.42Å; I147-G150 PolarHBondContact O-N 3.24Å; G150-S153 CarbonylContact O-C 3.5Å; G150-S153 PolarHBondContact O-N 3.47Å; G150-S153 VanDerWaalsContact O-N 3.13Å; G150-S154 PolarHBondContact O-N 3.16Å
151I97.9Very high96.6Very high1 Ų113.9 Ų13.91%0.0056%0.062CC..Hα-helixtrans-63.2-48.4177.9-72.7-178.8000110.9I59 V70 I147 R148 S153 S154 I159 A246 F250I59-I151 HydrophobicContact CD1-CG2 3.54Å; V70-I151 HydrophobicContact CG2-CG1 4.08Å; I147-I151 HydrophobicContact CG2-CD1 3.54Å; I147-I151 HydrophobicContact CG2-CG1 4.04Å; I147-I151 WeakPolarHBondContact O-CB 3.49Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 3.03Å; R148-I151 PolarHBondContact O-N 3.32Å; I151-S153 PolarHBondContact O-N 2.94Å; I151-S153 VanDerWaalsContact O-N 3.1Å; I151-S154 VanDerWaalsContact O-CB 3.3Å; I151-S154 WeakPolarHBondContact O-CB 3.33Å; I151-S154 PolarHBondContact O-N 3.18Å; I151-S154 VanDerWaalsContact O-N 3.11Å; I151-S154 PolarHBondContact O-OG 2.86Å; I151-I159 HydrophobicContact CG1-CG2 3.99Å; I151-I159 HydrophobicContact CG2-CD1 4.35Å; I151-A246 HydrophobicContact CG2-CB 3.99Å; I151-F250 HydrophobicContact CD1-CD1 3.92Å; I151-F250 HydrophobicContact CD1-CD2 3.32Å; I151-F250 HydrophobicContact CD1-CE1 3.65Å; I151-F250 HydrophobicContact CD1-CE2 3.02Å; I151-F250 HydrophobicContact CD1-CG 3.77Å; I151-F250 HydrophobicContact CD1-CZ 3.19Å; I151-F250 HydrophobicContact CG1-CE2 4.49Å; I151-F250 HydrophobicContact CG2-CB 4.37Å; I151-F250 HydrophobicContact CG2-CD2 4.15Å; I151-F250 HydrophobicContact CG2-CG 4.27Å
152F97.2Very high97Very high19 Ų1913.2 Ų13.28%0.0836%0.06CC..Hα-helixtrans-64.8-14.7176.4-67.6-18.1000113.9L37 S58 I59 R148 F250L37-F152 HydrophobicContact CD1-CD2 4.44Å; L37-F152 HydrophobicContact CD1-CE2 4.17Å; L37-F152 HydrophobicContact CD2-CD2 3.8Å; L37-F152 HydrophobicContact CD2-CE2 3.52Å; L37-F152 HydrophobicContact CG-CE2 4.49Å; S58-F152 CarbonylContact C-O 3.47Å; S58-F152 WeakPolarHBondContact CA-O 3.39Å; I59-F152 HydrophobicContact CG2-CD1 3.8Å; I59-F152 PolarHBondContact N-O 3.33Å; R148-F152 HydrophobicContact CG-CD2 3.89Å; R148-F152 HydrophobicContact CG-CE2 3.44Å; R148-F152 VanDerWaalsContact CG-CE2 3.44Å; R148-F152 HydrophobicContact CG-CZ 3.86Å; R148-F152 WeakPolarHBondContact O-CB 3.32Å; R148-F152 WeakPolarHBondContact O-CG 3.47Å; R148-F152 PolarHBondContact O-N 3.41Å; F152-F250 HydrophobicContact CE1-CB 3.91Å; F152-F250 HydrophobicContact CZ-CB 4.13Å
153S97.9Very high97.1Very high0 Ų014.6 Ų14.60%07%0.066CC..THydrogen-bonded Turntrans-108.720.9177.3-46.60000113.2R39 P57 R133 M149 G150 I151R39-S153 PolarHBondContact NH2-OG 3.38Å; P57-S153 WeakPolarHBondContact CG-O 3.47Å; P57-S153 VanDerWaalsContact O-CA 3.31Å; P57-S153 WeakPolarHBondContact O-CA 3.28Å; R133-S153 PolarHBondContact NH2-O 2.88Å; M149-S153 WeakPolarHBondContact O-CB 3.43Å; M149-S153 PolarHBondContact O-N 3.14Å; M149-S153 PolarHBondContact O-OG 3.15Å; G150-S153 CarbonylContact O-C 3.5Å; G150-S153 PolarHBondContact O-N 3.47Å; G150-S153 VanDerWaalsContact O-N 3.13Å; I151-S153 PolarHBondContact O-N 2.94Å; I151-S153 VanDerWaalsContact O-N 3.1Å
154S98.3Very high97.2Very high0 Ų012.6 Ų12.60%06%0.058CC..  trans-101148.7-174.272.20000113.4G150 I151 I159 R243G150-S154 PolarHBondContact O-N 3.16Å; I151-S154 VanDerWaalsContact O-CB 3.3Å; I151-S154 WeakPolarHBondContact O-CB 3.33Å; I151-S154 PolarHBondContact O-N 3.18Å; I151-S154 VanDerWaalsContact O-N 3.11Å; I151-S154 PolarHBondContact O-OG 2.86Å; S154-I159 WeakPolarHBondContact OG-CD1 3.35Å; S154-R243 VanDerWaalsContact C-NH2 3.3Å; S154-R243 PolarHBondContact O-NH1 3.1Å; S154-R243 PolarHBondContact O-NH2 2.93Å
155R98.5Very high97.1Very high42 Ų4214 Ų1416%0.1587%0.066CC..  trans-109.1-5-178.3-64.7-175.8-62.8172.11.6114.5P57 P63 T64 K65 S68 E104 D130 R133 R243P57-R155 HydrophobicContact CB-CG 3.75Å; P57-R155 HydrophobicContact CG-CG 3.57Å; P63-R155 CarbonylContact C-O 3.59Å; P63-R155 VanDerWaalsContact CA-O 3.23Å; P63-R155 WeakPolarHBondContact CA-O 3.27Å; P63-R155 WeakPolarHBondContact CB-O 3.22Å; T64-R155 PolarHBondContact N-O 2.96Å; T64-R155 WeakPolarHBondContact OG1-CB 3.37Å; T64-R155 WeakPolarHBondContact OG1-CD 3.24Å; K65-R155 HydrophobicContact CB-CB 4.49Å; K65-R155 HydrophobicContact CG-CB 4.05Å; K65-R155 PolarHBondContact N-O 2.97Å; K65-R155 VanDerWaalsContact N-O 3.11Å; S68-R155 PolarHBondContact OG-N 2.92Å; E104-R155 WeakPolarHBondContact OE1-CB 3.45Å; E104-R155 PolarHBondContact OE1-N 2.69Å; E104-R155 IonicContact OE1-NE 3.53Å; E104-R155 IonicContact OE2-CZ 2.83Å; E104-R155 VanDerWaalsContact OE2-CZ 3.22Å; E104-R155 IonicContact OE2-NE 2.64Å; E104-R155 PolarHBondContact OE2-NE 3.38Å; E104-R155 IonicContact OE2-NH2 3.22Å; E104-R155 PolarHBondContact OE2-NH2 3.38Å; D130-R155 PolarHBondContact O-NH2 3.48Å; D130-R155 IonicContact OD1-CZ 3.34Å; D130-R155 IonicContact OD1-NH1 2.89Å; D130-R155 PolarHBondContact OD1-NH1 3.19Å; D130-R155 IonicContact OD1-NH2 2.62Å; D130-R155 PolarHBondContact OD1-NH2 3.13Å; R133-R155 VanDerWaalsContact NH1-CZ 3.28Å; R155-R243 VanDerWaalsContact CA-NH2 3.31Å
156G98.5Very high96.8Very high0 Ų014.6 Ų14.60%07%0.071CC..EExtended strand (participates in β ladder)trans-77.5139.6-174.300000114.6K65 S68 K158 R243K65-G156 CarbonylContact O-C 3.23Å; K65-G156 WeakPolarHBondContact O-CA 3.3Å; S68-G156 VanDerWaalsContact OG-CA 3.27Å; S68-G156 WeakPolarHBondContact OG-CA 3.26Å; S68-G156 PolarHBondContact OG-N 2.9Å; G156-K158 VanDerWaalsContact C-N 3.26Å; G156-R243 PolarHBondContact O-NE 3.48Å; G156-R243 PolarHBondContact O-NH2 3.49Å
157E98.3Very high96.5Very high101 Ų10114.7 Ų14.747%0.4727%0.072SC..EExtended strand (participates in β ladder)trans-59.2-39.4166.4-67174.6-17700111.6P63 K65 Q66 R243P63-E157 HydrophobicContact CB-CB 4.4Å; P63-E157 HydrophobicContact CB-CG 3.58Å; P63-E157 HydrophobicContact CG-CG 3.67Å; K65-E157 PolarHBondContact O-N 2.97Å; Q66-E157 PolarHBondContact O-N 3.5Å; E157-R243 VanDerWaalsContact O-CB 3.28Å; E157-R243 WeakPolarHBondContact O-CB 3.44Å; E157-R243 PolarHBondContact O-N 2.88Å
158K98.7Very high96.4Very high45 Ų4515.1 Ų15.120%0.1968%0.075CC..EExtended strand (participates in β ladder)trans-113.5145.5169.4-60.5175-172.6171.80109.5Q66 L67 S68 G156 E177 L180 L240 F241Q66-K158 PolarHBondContact O-N 3.1Å; L67-K158 WeakPolarHBondContact CA-O 3.37Å; L67-K158 HydrophobicContact CD1-CB 4.24Å; S68-K158 PolarHBondContact N-O 2.97Å; G156-K158 VanDerWaalsContact C-N 3.26Å; K158-E177 HydrophobicContact CD-CG 4.48Å; K158-L180 HydrophobicContact CD-CD1 4.47Å; K158-L240 HydrophobicContact CB-CD1 4.03Å; K158-L240 HydrophobicContact CD-CD2 4.47Å; K158-F241 CarbonylContact C-O 3.49Å; K158-F241 WeakPolarHBondContact CA-O 3.31Å
159I98.9Very high96.3Very high0 Ų018.4 Ų18.40%09%0.089CC..EExtended strand (participates in β ladder)trans-124.9117.4-178-55.7163.5000108.4I59 S68 V70 I151 S154 F241 A246I59-I159 HydrophobicContact CD1-CD1 3.86Å; S68-I159 CarbonylContact O-C 3.46Å; S68-I159 WeakPolarHBondContact O-CA 3.36Å; V70-I159 HydrophobicContact CG2-CG2 3.93Å; I151-I159 HydrophobicContact CG1-CG2 3.99Å; I151-I159 HydrophobicContact CG2-CD1 4.35Å; S154-I159 WeakPolarHBondContact OG-CD1 3.35Å; I159-F241 PolarHBondContact N-O 3.21Å; I159-F241 WeakPolarHBondContact O-CD2 3.2Å; I159-F241 PolarHBondContact O-N 2.99Å; I159-A246 HydrophobicContact CD1-CB 3.73Å
160L98.8Very high96.3Very high0 Ų018.5 Ų18.50%09%0.09CC..EExtended strand (participates in β ladder)trans-97.7126176177.666.2000109.1L67 S68 V69 V70 F170 V173 L176 F238 K239 L240L67-L160 HydrophobicContact CD1-CB 4.01Å; S68-L160 PolarHBondContact O-N 3.38Å; V69-L160 CarbonylContact C-O 3.59Å; V69-L160 WeakPolarHBondContact CA-O 3.42Å; V69-L160 HydrophobicContact CG1-CD2 4.21Å; V69-L160 HydrophobicContact CG1-CG 4.49Å; V69-L160 HydrophobicContact CG2-CB 4.39Å; V69-L160 HydrophobicContact CG2-CD2 4.15Å; V70-L160 PolarHBondContact N-O 3.49Å; L160-F170 HydrophobicContact CD2-CE1 4.3Å; L160-V173 HydrophobicContact CD1-CG2 4.49Å; L160-V173 HydrophobicContact CD2-CB 4.35Å; L160-V173 HydrophobicContact CD2-CG2 3.87Å; L160-L176 HydrophobicContact CD1-CD1 3.95Å; L160-F238 HydrophobicContact CD1-CD1 4.41Å; L160-F238 HydrophobicContact CD1-CD2 4.16Å; L160-F238 HydrophobicContact CD1-CE1 4.24Å; L160-F238 HydrophobicContact CD1-CE2 4Å; L160-F238 HydrophobicContact CD1-CG 4.37Å; L160-F238 HydrophobicContact CD1-CZ 4.04Å; L160-F238 HydrophobicContact CD2-CE2 3.75Å; L160-F238 HydrophobicContact CD2-CZ 3.89Å; L160-F238 HydrophobicContact CG-CE2 4.25Å; L160-K239 CarbonylContact C-O 3.59Å; L160-K239 WeakPolarHBondContact CA-O 3.48Å; L160-L240 HydrophobicContact CB-CD1 3.86Å; L160-L240 HydrophobicContact CD1-CB 4.34Å; L160-L240 HydrophobicContact CD1-CD1 4.33Å
161M98Very high96.2Very high1 Ų121.4 Ų21.41%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-86.9133.5162.2-175.3179.679.100108.6I147 G237 F238 K239 F241 F260I147-M161 HydrophobicContact CD1-CG 4Å; I147-M161 HydrophobicContact CD1-SD 3.38Å; I147-M161 WeakPolarHBondContact CD1-SD 3.38Å; I147-M161 HydrophobicContact CG1-CG 4.21Å; I147-M161 HydrophobicContact CG1-SD 4.11Å; I147-M161 HydrophobicContact CG2-CG 4.24Å; I147-M161 HydrophobicContact CG2-SD 4Å; M161-G237 CarbonylContact C-O 3.52Å; M161-G237 VanDerWaalsContact C-O 3.23Å; M161-G237 WeakPolarHBondContact CE-O 3.31Å; M161-F238 VanDerWaalsContact O-CA 3.31Å; M161-F238 WeakPolarHBondContact O-CA 3.04Å; M161-K239 HydrophobicContact CE-CB 4.08Å; M161-K239 HydrophobicContact CE-CD 3.71Å; M161-K239 HydrophobicContact CE-CG 3.86Å; M161-K239 PolarHBondContact N-O 2.85Å; M161-K239 PolarHBondContact O-N 2.93Å; M161-K239 VanDerWaalsContact O-N 3.17Å; M161-F241 HydrophobicContact CB-CE2 4.32Å; M161-F260 HydrophobicContact CE-CZ 4.43Å; M161-F260 HydrophobicContact SD-CE2 4.04Å; M161-F260 HydrophobicContact SD-CZ 4.01Å
162A97.8Very high96.2Very high2 Ų221.5 Ų21.52%0.01711%0.109CC..  trans-143.6136.2175.400000111.3V69 V70 P72 F170 G237 F238V69-A162 HydrophobicContact CG1-CB 4.13Å; V70-A162 PolarHBondContact O-N 2.98Å; P72-A162 WeakPolarHBondContact CD-O 3.41Å; A162-F170 HydrophobicContact CB-CE2 4.46Å; A162-F170 HydrophobicContact CB-CZ 4.05Å; A162-G237 WeakPolarHBondContact CA-O 3.44Å; A162-G237 PolarHBondContact N-O 2.76Å; A162-F238 HydrophobicContact CB-CD2 3.99Å; A162-F238 HydrophobicContact CB-CE2 4.18Å
163D95.3Very high96.3Very high35 Ų3520.7 Ų20.719%0.18711%0.106CC..  trans-70.1144.6178.4-79.3-31.8000112.4K143 D165 G237K143-D163 WeakPolarHBondContact CE-OD1 3.12Å; K143-D163 VanDerWaalsContact NZ-CG 3.34Å; K143-D163 IonicContact NZ-OD1 2.64Å; K143-D163 PolarHBondContact NZ-OD1 3.43Å; K143-D163 IonicContact NZ-OD2 3.54Å; K143-D163 PolarHBondContact NZ-OD2 3.31Å; D163-D165 PolarHBondContact O-N 2.83Å; D163-G237 WeakPolarHBondContact OD2-CA 3.49Å
164A94.9Very high96.3Very high4 Ų424.3 Ų24.33%0.03312%0.122CC..THydrogen-bonded Turntrans-69.6-8.9-178.400000114.8V71 P72 E76 R79 L80 M83V71-A164 HydrophobicContact CG1-CB 3.82Å; P72-A164 WeakPolarHBondContact O-CB 3.35Å; E76-A164 HydrophobicContact CB-CB 4.23Å; E76-A164 HydrophobicContact CG-CB 3.87Å; R79-A164 CarbonylContact C-O 3.44Å; L80-A164 HydrophobicContact CD1-CB 4.18Å; M83-A164 WeakPolarHBondContact CB-O 3.3Å
165D91.1Very high96.3Very high31 Ų3128.4 Ų28.417%0.16614%0.14CC..THydrogen-bonded Turntrans-85.7-11-175.265.18.8000114.5R79 D163 A167 I285R79-D165 IonicContact NH1-OD2 3.83Å; D163-D165 PolarHBondContact O-N 2.83Å; D165-A167 VanDerWaalsContact C-N 3.27Å; D165-A167 PolarHBondContact O-N 3.07Å; D165-A167 WeakPolarHBondContact OD1-CB 3.46Å; D165-A167 PolarHBondContact OD1-N 2.78Å; D165-I285 HydrophobicContact CB-CG2 4.49Å
166G88.9Confident96.3Very high12 Ų1226.4 Ų26.412%0.12413%0.133CC..  trans71.820-179.800000114.1T168G166-T168 VanDerWaalsContact C-N 3.3Å; G166-T168 PolarHBondContact O-N 2.92Å
167A90.6Very high96.3Very high1 Ų127.5 Ų27.51%0.00814%0.138CC..  trans-66.3-31.4-179.400000113D165 W282 T283 I285D165-A167 VanDerWaalsContact C-N 3.27Å; D165-A167 PolarHBondContact O-N 3.07Å; D165-A167 WeakPolarHBondContact OD1-CB 3.46Å; D165-A167 PolarHBondContact OD1-N 2.78Å; A167-W282 HydrophobicContact CB-CZ2 4.33Å; A167-W282 VanDerWaalsContact CB-NE1 3.29Å; A167-W282 CarbonylContact O-C 3.55Å; A167-W282 VanDerWaalsContact O-CA 3.29Å; A167-W282 WeakPolarHBondContact O-CA 3.26Å; A167-T283 WeakPolarHBondContact CB-O 3.41Å; A167-T283 PolarHBondContact O-N 2.91Å; A167-T283 PolarHBondContact O-OG1 3.19Å; A167-I285 HydrophobicContact CB-CG1 3.79Å
168T93.6Very high96.3Very high10 Ų1029.1 Ų29.16%0.06114%0.143CC..BIsolated β-bridgetrans-101141.5176.8-46.50000110.8G166 F238 V280 N281G166-T168 VanDerWaalsContact C-N 3.3Å; G166-T168 PolarHBondContact O-N 2.92Å; T168-F238 HydrophobicContact CG2-CB 3.8Å; T168-F238 HydrophobicContact CG2-CD1 3.7Å; T168-F238 HydrophobicContact CG2-CD2 3.86Å; T168-F238 HydrophobicContact CG2-CE1 4.19Å; T168-F238 HydrophobicContact CG2-CE2 4.31Å; T168-F238 HydrophobicContact CG2-CG 3.53Å; T168-F238 HydrophobicContact CG2-CZ 4.47Å; T168-V280 HydrophobicContact CG2-CB 3.9Å; T168-V280 HydrophobicContact CG2-CG2 3.93Å; T168-N281 WeakPolarHBondContact CA-O 3.17Å
169K94.8Very high96.2Very high81 Ų8127.1 Ų27.135%0.35214%0.135SC..  trans-85.1132.2-179.4-56.5-54.8-179.7-164.80112.2P171 D172 N281K169-P171 VanDerWaalsContact C-CD 3.42Å; K169-D172 WeakPolarHBondContact O-CB 3.48Å; K169-D172 PolarHBondContact O-N 3.05Å; K169-D172 VanDerWaalsContact O-N 3.12Å; K169-N281 HydrophobicContact CB-CB 4.31Å; K169-N281 HydrophobicContact CG-CB 3.99Å; K169-N281 PolarHBondContact N-O 3.3Å
170F96.3Very high96.1Very high3 Ų327.1 Ų27.11%0.01314%0.135CC..G310 helixtrans-63.2-29.9-176.5-91.1-109.2000115.9V69 M83 E86 A87 Y90 L91 L160 A162 D172 V173V69-F170 HydrophobicContact CG1-CE1 3.88Å; V69-F170 HydrophobicContact CG1-CZ 3.98Å; V69-F170 HydrophobicContact CG2-CE1 4.25Å; M83-F170 HydrophobicContact CG-CE2 4.26Å; M83-F170 HydrophobicContact SD-CE2 3.64Å; M83-F170 HydrophobicContact SD-CZ 3.87Å; E86-F170 PolarHBondContact OE1-N 2.88Å; E86-F170 VanDerWaalsContact OE1-N 3.11Å; E86-F170 WeakPolarHBondContact OE2-CB 3.38Å; E86-F170 WeakPolarHBondContact OE2-CD2 3.25Å; E86-F170 WeakPolarHBondContact OE2-CG 3.32Å; E86-F170 PolarHBondContact OE2-N 3.13Å; A87-F170 HydrophobicContact CB-CD1 3.78Å; A87-F170 HydrophobicContact CB-CD2 3.78Å; A87-F170 HydrophobicContact CB-CE1 3.45Å; A87-F170 VanDerWaalsContact CB-CE1 3.45Å; A87-F170 HydrophobicContact CB-CE2 3.44Å; A87-F170 VanDerWaalsContact CB-CE2 3.44Å; A87-F170 HydrophobicContact CB-CG 3.93Å; A87-F170 HydrophobicContact CB-CZ 3.26Å; Y90-F170 HydrophobicContact CD1-CB 3.86Å; Y90-F170 HydrophobicContact CG-CB 4.03Å; L91-F170 HydrophobicContact CD1-CE1 4.5Å; L160-F170 HydrophobicContact CD2-CE1 4.3Å; A162-F170 HydrophobicContact CB-CE2 4.46Å; A162-F170 HydrophobicContact CB-CZ 4.05Å; F170-D172 PolarHBondContact O-N 2.93Å; F170-V173 WeakPolarHBondContact O-CB 3.33Å; F170-V173 VanDerWaalsContact O-CG1 3.22Å; F170-V173 WeakPolarHBondContact O-CG1 3.46Å; F170-V173 PolarHBondContact O-N 2.74Å
171P97Very high96Very high61 Ų6130.5 Ų30.540%0.39615%0.154SC..G310 helixtrans-53.5-24.5171.9-29.435.6000114.4E86 Y90 K169 V173 E174E86-P171 VanDerWaalsContact OE1-CD 3.3Å; E86-P171 WeakPolarHBondContact OE1-CD 3.44Å; Y90-P171 HydrophobicContact CD2-CB 4.29Å; Y90-P171 HydrophobicContact CD2-CG 3.81Å; Y90-P171 HydrophobicContact CE2-CB 4.08Å; Y90-P171 HydrophobicContact CE2-CG 4.12Å; K169-P171 VanDerWaalsContact C-CD 3.42Å; P171-V173 PolarHBondContact O-N 3.24Å; P171-E174 PolarHBondContact O-N 2.68Å
172D97.8Very high96Very high4 Ų436 Ų362%0.02118%0.183CC..G310 helixtrans-71.4-7.4177.5-67.2-33.9000113.8K169 F170 E174 K175 L176 F238 V280 N281K169-D172 WeakPolarHBondContact O-CB 3.48Å; K169-D172 PolarHBondContact O-N 3.05Å; K169-D172 VanDerWaalsContact O-N 3.12Å; F170-D172 PolarHBondContact O-N 2.93Å; D172-E174 PolarHBondContact O-N 2.92Å; D172-K175 HydrophobicContact CB-CD 4.26Å; D172-K175 WeakPolarHBondContact O-CB 3.45Å; D172-K175 PolarHBondContact O-N 2.85Å; D172-K175 VanDerWaalsContact OD1-CD 3.3Å; D172-K175 WeakPolarHBondContact OD1-CD 3.42Å; D172-K175 WeakPolarHBondContact OD1-CE 3.21Å; D172-K175 IonicContact OD1-NZ 2.7Å; D172-K175 PolarHBondContact OD1-NZ 2.78Å; D172-L176 PolarHBondContact O-N 2.85Å; D172-L176 VanDerWaalsContact O-N 3.14Å; D172-F238 HydrophobicContact CB-CE1 4.11Å; D172-V280 HydrophobicContact CB-CB 4.33Å; D172-V280 HydrophobicContact CB-CG1 4.11Å; D172-N281 VanDerWaalsContact CG-ND2 3.33Å; D172-N281 PolarHBondContact OD1-ND2 2.88Å; D172-N281 WeakPolarHBondContact OD2-CA 3.45Å; D172-N281 VanDerWaalsContact OD2-CB 3.25Å; D172-N281 WeakPolarHBondContact OD2-CB 3.37Å; D172-N281 PolarHBondContact OD2-N 2.89Å; D172-N281 PolarHBondContact OD2-ND2 3.31Å
173V98.1Very high95.9Very high1 Ų138 Ų381%0.00619%0.193CC..Hα-helixtrans-58.5-34.9170.373.90000111.4L67 Y90 L160 F170 P171 K175 L176 E177 F238L67-V173 HydrophobicContact CD2-CG2 4.3Å; Y90-V173 HydrophobicContact CE1-CG1 3.54Å; L160-V173 HydrophobicContact CD1-CG2 4.49Å; L160-V173 HydrophobicContact CD2-CB 4.35Å; L160-V173 HydrophobicContact CD2-CG2 3.87Å; F170-V173 WeakPolarHBondContact O-CB 3.33Å; F170-V173 VanDerWaalsContact O-CG1 3.22Å; F170-V173 WeakPolarHBondContact O-CG1 3.46Å; F170-V173 PolarHBondContact O-N 2.74Å; P171-V173 PolarHBondContact O-N 3.24Å; V173-K175 VanDerWaalsContact C-N 3.28Å; V173-K175 PolarHBondContact O-N 2.79Å; V173-L176 PolarHBondContact O-N 2.95Å; V173-L176 VanDerWaalsContact O-N 3.16Å; V173-E177 WeakPolarHBondContact O-CG 3.43Å; V173-E177 PolarHBondContact O-N 3.06Å; V173-F238 HydrophobicContact CB-CZ 4.19Å
174E97.8Very high95.8Very high76 Ų7642 Ų4236%0.35521%0.211SC..Hα-helixtrans-65.3-33.2176.3-74.8174.1-15600111.4Y90 R97 P171 D172 E177 K178Y90-E174 VanDerWaalsContact OH-CD 3.24Å; Y90-E174 VanDerWaalsContact OH-CG 3.24Å; Y90-E174 WeakPolarHBondContact OH-CG 3.21Å; Y90-E174 PolarHBondContact OH-OE1 3.46Å; R97-E174 IonicContact CZ-OE1 3.85Å; R97-E174 IonicContact NH2-OE1 2.78Å; R97-E174 PolarHBondContact NH2-OE1 3.22Å; P171-E174 PolarHBondContact O-N 2.68Å; D172-E174 PolarHBondContact O-N 2.92Å; E174-E177 PolarHBondContact O-N 3.23Å; E174-K178 WeakPolarHBondContact O-CB 3.4Å; E174-K178 PolarHBondContact O-N 3.31Å
175K98.3Very high95.7Very high87 Ų8747.5 Ų47.538%0.37825%0.246SC..Hα-helixtrans-67.7-40173.5-59178.2179.1163.60111.3D172 V173 K178 G179 I278 N281D172-K175 HydrophobicContact CB-CD 4.26Å; D172-K175 WeakPolarHBondContact O-CB 3.45Å; D172-K175 PolarHBondContact O-N 2.85Å; D172-K175 VanDerWaalsContact OD1-CD 3.3Å; D172-K175 WeakPolarHBondContact OD1-CD 3.42Å; D172-K175 WeakPolarHBondContact OD1-CE 3.21Å; D172-K175 IonicContact OD1-NZ 2.7Å; D172-K175 PolarHBondContact OD1-NZ 2.78Å; V173-K175 VanDerWaalsContact C-N 3.28Å; V173-K175 PolarHBondContact O-N 2.79Å; K175-K178 PolarHBondContact O-N 2.96Å; K175-G179 PolarHBondContact O-N 3.48Å; K175-I278 HydrophobicContact CB-CG2 3.68Å; K175-N281 PolarHBondContact NZ-ND2 3.37Å
176L98.6Very high95.9Very high0 Ų048.9 Ų48.90%025%0.249CC..Hα-helixtrans-66.5-40.5175-63.1-167.7000111.8L160 D172 V173 G179 L180 A193 F238 L240 I278 V280L160-L176 HydrophobicContact CD1-CD1 3.95Å; D172-L176 PolarHBondContact O-N 2.85Å; D172-L176 VanDerWaalsContact O-N 3.14Å; V173-L176 PolarHBondContact O-N 2.95Å; V173-L176 VanDerWaalsContact O-N 3.16Å; L176-G179 PolarHBondContact O-N 2.68Å; L176-L180 PolarHBondContact O-N 3.1Å; L176-A193 HydrophobicContact CB-CB 4.04Å; L176-A193 HydrophobicContact CD2-CB 4.16Å; L176-A193 VanDerWaalsContact O-CB 3.3Å; L176-A193 WeakPolarHBondContact O-CB 3.02Å; L176-F238 HydrophobicContact CD1-CD1 3.48Å; L176-F238 VanDerWaalsContact CD1-CD1 3.48Å; L176-F238 HydrophobicContact CD1-CE1 3.68Å; L176-F238 HydrophobicContact CD1-CG 4.39Å; L176-F238 HydrophobicContact CG-CD1 4.18Å; L176-F238 HydrophobicContact CG-CE1 4.15Å; L176-L240 HydrophobicContact CB-CB 3.82Å; L176-L240 HydrophobicContact CB-CD2 3.86Å; L176-L240 HydrophobicContact CD1-CB 3.82Å; L176-L240 HydrophobicContact CG-CB 4.48Å; L176-I278 HydrophobicContact CD2-CB 3.68Å; L176-I278 HydrophobicContact CD2-CG1 3.94Å; L176-I278 HydrophobicContact CD2-CG2 4.06Å; L176-V280 HydrophobicContact CD2-CG1 4.47Å
177E98.3Very high96Very high22 Ų2251.5 Ų51.510%0.10326%0.264CS..Hα-helixtrans-62.3-43.4175.4-74.6172.8168.900111.8R94 K158 V173 E174 L180 N181 L240R94-E177 IonicContact CZ-OE1 3.71Å; R94-E177 IonicContact CZ-OE2 3.69Å; R94-E177 VanDerWaalsContact NH1-CD 3.32Å; R94-E177 IonicContact NH1-OE1 3.24Å; R94-E177 PolarHBondContact NH1-OE1 3.42Å; R94-E177 IonicContact NH1-OE2 2.8Å; R94-E177 PolarHBondContact NH1-OE2 3.48Å; R94-E177 VanDerWaalsContact NH1-OE2 3.14Å; R94-E177 VanDerWaalsContact NH2-CD 3.27Å; R94-E177 IonicContact NH2-OE1 2.93Å; R94-E177 PolarHBondContact NH2-OE1 3.31Å; R94-E177 IonicContact NH2-OE2 2.8Å; R94-E177 PolarHBondContact NH2-OE2 3.46Å; K158-E177 HydrophobicContact CD-CG 4.48Å; V173-E177 WeakPolarHBondContact O-CG 3.43Å; V173-E177 PolarHBondContact O-N 3.06Å; E174-E177 PolarHBondContact O-N 3.23Å; E177-L180 PolarHBondContact O-N 2.53Å; E177-N181 PolarHBondContact O-N 3.02Å; E177-N181 PolarHBondContact O-ND2 3.39Å; E177-L240 HydrophobicContact CB-CD2 4.31Å; E177-L240 HydrophobicContact CG-CD2 3.56Å
178K98.1Very high96.2Very high135 Ų13556.8 Ų56.859%0.58729%0.292SS*.Hα-helixtrans-59.8-48.3171.7-174.9-176.3175.6-174.50110.9E174 K175 L180 N181 D182E174-K178 WeakPolarHBondContact O-CB 3.4Å; E174-K178 PolarHBondContact O-N 3.31Å; K175-K178 PolarHBondContact O-N 2.96Å; K178-L180 VanDerWaalsContact C-N 3.29Å; K178-L180 PolarHBondContact O-N 2.9Å; K178-N181 PolarHBondContact O-N 2.85Å; K178-D182 VanDerWaalsContact O-CG 3.27Å; K178-D182 PolarHBondContact O-N 2.94Å
179G97.8Very high96.3Very high3 Ų361.7 Ų61.73%0.03131%0.314CS..Hα-helixtrans-56.8-39.3176.800000113.3K175 L176 L183K175-G179 PolarHBondContact O-N 3.48Å; L176-G179 PolarHBondContact O-N 2.68Å; G179-L183 WeakPolarHBondContact O-CG 3.5Å
180L96.9Very high96.4Very high0 Ų058.4 Ų58.40%030%0.3CS..Hα-helixtrans-63.9-47.9171.8-79.7-177.1000111.8K158 L176 E177 K178 D182 L183 W186 A191 I192 A193 L240K158-L180 HydrophobicContact CD-CD1 4.47Å; L176-L180 PolarHBondContact O-N 3.1Å; E177-L180 PolarHBondContact O-N 2.53Å; K178-L180 VanDerWaalsContact C-N 3.29Å; K178-L180 PolarHBondContact O-N 2.9Å; L180-D182 VanDerWaalsContact C-N 3.28Å; L180-D182 PolarHBondContact O-N 3.31Å; L180-L183 WeakPolarHBondContact O-CB 3.26Å; L180-L183 PolarHBondContact O-N 3.34Å; L180-L183 VanDerWaalsContact O-N 3.11Å; L180-W186 HydrophobicContact CB-CZ2 4.08Å; L180-W186 PolarHBondContact O-NE1 2.51Å; L180-A191 VanDerWaalsContact CD2-C 3.41Å; L180-A191 HydrophobicContact CD2-CB 3.61Å; L180-I192 VanDerWaalsContact CD2-C 3.4Å; L180-A193 HydrophobicContact CD2-CB 3.99Å; L180-A193 HydrophobicContact CG-CB 3.77Å; L180-L240 HydrophobicContact CD1-CB 4.3Å; L180-L240 HydrophobicContact CD1-CD2 3.51Å; L180-L240 HydrophobicContact CD1-CG 3.65Å; L180-L240 HydrophobicContact CG-CD2 4.26Å
181N96.3Very high96.5Very high72 Ų7258.2 Ų58.239%0.38530%0.3SS..Hα-helixtrans-62.2-36.7-178.5-66.6-17.7000111.9E177 K178 L183 Q184E177-N181 PolarHBondContact O-N 3.02Å; E177-N181 PolarHBondContact O-ND2 3.39Å; K178-N181 PolarHBondContact O-N 2.85Å; N181-L183 PolarHBondContact O-N 3.45Å; N181-Q184 WeakPolarHBondContact O-CB 3.49Å; N181-Q184 VanDerWaalsContact O-CG 3.28Å; N181-Q184 WeakPolarHBondContact O-CG 3.48Å; N181-Q184 PolarHBondContact O-N 3.45Å; N181-Q184 VanDerWaalsContact O-N 3.14Å
182D97.3Very high96.6Very high116 Ų11655.3 Ų55.362%0.6228%0.281SS*.THydrogen-bonded Turntrans-66.5-16.1178-66.4-16.1000112.9K178 L180 Q184K178-D182 VanDerWaalsContact O-CG 3.27Å; K178-D182 PolarHBondContact O-N 2.94Å; L180-D182 VanDerWaalsContact C-N 3.28Å; L180-D182 PolarHBondContact O-N 3.31Å; D182-Q184 VanDerWaalsContact C-N 3.34Å
183L96.1Very high96.6Very high43 Ų4355.1 Ų55.123%0.22528%0.28CS..THydrogen-bonded Turntrans-86.42.6175.1-63.1170.4000113.9G179 L180 N181 A191 P274 A276G179-L183 WeakPolarHBondContact O-CG 3.5Å; L180-L183 WeakPolarHBondContact O-CB 3.26Å; L180-L183 PolarHBondContact O-N 3.34Å; L180-L183 VanDerWaalsContact O-N 3.11Å; N181-L183 PolarHBondContact O-N 3.45Å; L183-A191 HydrophobicContact CD1-CB 4.26Å; L183-P274 HydrophobicContact CB-CB 4.17Å; L183-P274 HydrophobicContact CB-CG 4.41Å; L183-P274 HydrophobicContact CD1-CB 4.16Å; L183-P274 HydrophobicContact CD2-CB 4.18Å; L183-P274 HydrophobicContact CG-CB 4.4Å; L183-A276 HydrophobicContact CD1-CB 3.79Å; L183-A276 HydrophobicContact CD2-CB 4.19Å; L183-A276 HydrophobicContact CG-CB 4.08Å
184Q92.9Very high96.6Very high121 Ų12155.1 Ų55.157%0.56528%0.279SS*.  trans-66.6147.8-178.7-75.1-175.9-12.500112.5N181 D182 W186N181-Q184 WeakPolarHBondContact O-CB 3.49Å; N181-Q184 VanDerWaalsContact O-CG 3.28Å; N181-Q184 WeakPolarHBondContact O-CG 3.48Å; N181-Q184 PolarHBondContact O-N 3.45Å; N181-Q184 VanDerWaalsContact O-N 3.14Å; D182-Q184 VanDerWaalsContact C-N 3.34Å; Q184-W186 HydrophobicContact CG-CD2 4.23Å; Q184-W186 HydrophobicContact CG-CG 4.32Å; Q184-W186 HydrophobicContact CG-CZ2 4.13Å
185P93.3Very high96.6Very high119 Ų11951.5 Ų51.577%0.77326%0.262SS*.SBendcis-75143.4-031.5-35.2000112.6P187P185-P187 VanDerWaalsContact O-CD 3.27Å; P185-P187 WeakPolarHBondContact O-CD 3.49Å
186W94.6Very high96.4Very high60 Ų6047.6 Ų47.623%0.22725%0.246CC..  trans-82.3112.7178-58.9-25.7000111.2L180 Q184 N188 Q189 A191 T242L180-W186 HydrophobicContact CB-CZ2 4.08Å; L180-W186 PolarHBondContact O-NE1 2.51Å; Q184-W186 HydrophobicContact CG-CD2 4.23Å; Q184-W186 HydrophobicContact CG-CG 4.32Å; Q184-W186 HydrophobicContact CG-CZ2 4.13Å; W186-N188 PolarHBondContact O-N 3.19Å; W186-Q189 PolarHBondContact O-N 3.01Å; W186-A191 HydrophobicContact CB-CB 4.46Å; W186-A191 VanDerWaalsContact CD1-CB 3.43Å; W186-A191 HydrophobicContact CD2-CB 4.1Å; W186-A191 HydrophobicContact CG-CB 3.77Å; W186-T242 HydrophobicContact CD2-CG2 4.13Å; W186-T242 HydrophobicContact CE3-CG2 3.77Å; W186-T242 HydrophobicContact CH2-CG2 4.28Å; W186-T242 HydrophobicContact CZ3-CG2 3.86Å
187P92.3Very high96.1Very high67 Ų6750.8 Ų50.844%0.43526%0.258SS..G310 helixtrans-60.5126176.1-19.533.1000109.9P185 Q189 M190P185-P187 VanDerWaalsContact O-CD 3.27Å; P185-P187 WeakPolarHBondContact O-CD 3.49Å; P187-Q189 PolarHBondContact O-N 2.94Å; P187-Q189 VanDerWaalsContact O-N 3.14Å; P187-M190 WeakPolarHBondContact O-CB 3.09Å; P187-M190 PolarHBondContact O-N 2.9Å
188N93.2Very high95.2Very high112 Ų11250.1 Ų50.160%0.59926%0.257SS*.G310 helixtrans53.729.5-175.9-53-52.4000113.9W186 M190W186-N188 PolarHBondContact O-N 3.19Å; N188-M190 HydrophobicContact CB-CE 3.74Å; N188-M190 HydrophobicContact CB-CG 4.34Å; N188-M190 WeakPolarHBondContact O-CG 3.46Å; N188-M190 PolarHBondContact O-N 2.83Å
189Q95.9Very high94.4Very high113 Ų11348.1 Ų48.153%0.52825%0.249SC..G310 helixtrans6218.3-175.3-54174.8-8.400113.9W186 P187 T242 E244W186-Q189 PolarHBondContact O-N 3.01Å; P187-Q189 PolarHBondContact O-N 2.94Å; P187-Q189 VanDerWaalsContact O-N 3.14Å; Q189-T242 VanDerWaalsContact O-CB 3.27Å; Q189-T242 WeakPolarHBondContact O-CB 3.34Å; Q189-T242 PolarHBondContact O-OG1 2.9Å; Q189-E244 HydrophobicContact CB-CB 4.47Å; Q189-E244 HydrophobicContact CB-CG 4Å
190M97.9Very high93.3Very high11 Ų1150 Ų505%0.05426%0.259CS..  trans-99.9127.3-178.6-60-169.9-75.600111.7P187 N188 T242 E244 A245 Q248 I273 P274P187-M190 WeakPolarHBondContact O-CB 3.09Å; P187-M190 PolarHBondContact O-N 2.9Å; N188-M190 HydrophobicContact CB-CE 3.74Å; N188-M190 HydrophobicContact CB-CG 4.34Å; N188-M190 WeakPolarHBondContact O-CG 3.46Å; N188-M190 PolarHBondContact O-N 2.83Å; M190-T242 WeakPolarHBondContact CA-OG1 3.31Å; M190-E244 HydrophobicContact CG-CB 3.81Å; M190-A245 HydrophobicContact CB-CB 3.99Å; M190-A245 HydrophobicContact CG-CB 4.36Å; M190-Q248 HydrophobicContact SD-CB 4.02Å; M190-Q248 HydrophobicContact SD-CG 4.14Å; M190-I273 HydrophobicContact CB-CB 4.49Å; M190-I273 HydrophobicContact CB-CD1 4.18Å; M190-I273 HydrophobicContact CB-CG1 3.95Å; M190-I273 HydrophobicContact CB-CG2 3.93Å; M190-I273 HydrophobicContact CE-CD1 4.38Å; M190-I273 HydrophobicContact CE-CG1 4.03Å; M190-I273 HydrophobicContact SD-CD1 3.68Å; M190-I273 HydrophobicContact SD-CG1 3.93Å; M190-P274 VanDerWaalsContact O-CD 3.3Å; M190-P274 WeakPolarHBondContact O-CD 3.32Å; M190-P274 WeakPolarHBondContact O-CG 3.49Å
191A98.4Very high92Very high0 Ų051.8 Ų51.80%027%0.267CS..  trans-154.9155.2167.600000111.7L180 L183 W186 T242 P274L180-A191 VanDerWaalsContact CD2-C 3.41Å; L180-A191 HydrophobicContact CD2-CB 3.61Å; L183-A191 HydrophobicContact CD1-CB 4.26Å; W186-A191 HydrophobicContact CB-CB 4.46Å; W186-A191 VanDerWaalsContact CD1-CB 3.43Å; W186-A191 HydrophobicContact CD2-CB 4.1Å; W186-A191 HydrophobicContact CG-CB 3.77Å; A191-T242 HydrophobicContact CB-CG2 4.06Å; A191-T242 PolarHBondContact N-OG1 3.3Å; A191-T242 PolarHBondContact O-N 3.27Å; A191-T242 VanDerWaalsContact O-N 3.1Å; A191-T242 PolarHBondContact O-OG1 2.99Å; A191-P274 HydrophobicContact CB-CG 4.1Å
192I98.6Very high90.5Very high0 Ų056.8 Ų56.80%029%0.285CS..EExtended strand (participates in β ladder)trans-132.6135.4179.9-55.1175.9000109.7L180 L240 F241 A245 T249 A268 I273 P274 I275 A276L180-I192 VanDerWaalsContact CD2-C 3.4Å; I192-L240 WeakPolarHBondContact CA-O 3.44Å; I192-F241 HydrophobicContact CB-CD1 4.41Å; I192-F241 HydrophobicContact CD1-CD1 3.9Å; I192-F241 HydrophobicContact CD1-CE1 3.9Å; I192-F241 HydrophobicContact CG1-CD1 3.73Å; I192-F241 HydrophobicContact CG1-CE1 4.12Å; I192-F241 HydrophobicContact CG2-CD1 3.95Å; I192-F241 HydrophobicContact CG2-CE1 3.8Å; I192-F241 HydrophobicContact CG2-CZ 4.4Å; I192-A245 HydrophobicContact CG1-CB 4.02Å; I192-T249 HydrophobicContact CD1-CG2 4.39Å; I192-A268 HydrophobicContact CD1-CB 3.6Å; I192-I273 HydrophobicContact CD1-CG2 4.09Å; I192-I273 HydrophobicContact CG1-CG2 3.89Å; I192-P274 PolarHBondContact N-O 3.19Å; I192-I275 HydrophobicContact CB-CG1 4.28Å; I192-I275 HydrophobicContact CB-CG2 4.21Å; I192-I275 HydrophobicContact CG2-CG2 4.25Å; I192-I275 CarbonylContact O-C 3.48Å; I192-I275 VanDerWaalsContact O-CA 3.26Å; I192-I275 WeakPolarHBondContact O-CA 3.31Å; I192-A276 PolarHBondContact O-N 2.93Å
193A98.6Very high89Confident0 Ų058.1 Ų58.10%029%0.288CS..EExtended strand (participates in β ladder)trans-117.8118.5167.300000109.4L176 L180 K239 L240 A276L176-A193 HydrophobicContact CB-CB 4.04Å; L176-A193 HydrophobicContact CD2-CB 4.16Å; L176-A193 VanDerWaalsContact O-CB 3.3Å; L176-A193 WeakPolarHBondContact O-CB 3.02Å; L180-A193 HydrophobicContact CD2-CB 3.99Å; L180-A193 HydrophobicContact CG-CB 3.77Å; A193-K239 CarbonylContact O-C 3.12Å; A193-K239 WeakPolarHBondContact O-CA 3.37Å; A193-L240 HydrophobicContact CB-CB 4.48Å; A193-L240 PolarHBondContact N-O 2.54Å; A193-L240 PolarHBondContact O-N 3.35Å; A193-A276 HydrophobicContact CB-CB 4.44Å
194C98.2Very high87.3Confident0 Ų057.5 Ų57.50%029%0.287CS..EExtended strand (participates in β ladder)trans-99.5126179.1-68.30000110.1K239 A276 E277 I278C194-K239 HydrophobicContact CB-CG 4.3Å; C194-A276 PolarHBondContact N-O 3.2Å; C194-E277 CarbonylContact O-C 3.58Å; C194-E277 WeakPolarHBondContact O-CA 3.4Å; C194-I278 PolarHBondContact O-N 2.9Å
195G96.9Very high85.8Confident0 Ų054 Ų540%027%0.271CS..EExtended strand (participates in β ladder)trans-61.4150.6163.500000110.7C236 F238 I278G195-C236 WeakPolarHBondContact O-CB 3.48Å; G195-C236 PolarHBondContact O-SG 2.84Å; G195-F238 WeakPolarHBondContact CA-O 3.34Å; G195-F238 PolarHBondContact N-O 2.94Å; G195-I278 CarbonylContact C-O 3.57Å; G195-I278 WeakPolarHBondContact CA-O 3.45Å
196S95Very high84.3Confident6 Ų652.5 Ų52.54%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-141.5132.1-178.1-179.60000112.1A198 H199 D233 E277 I278 V280S196-A198 VanDerWaalsContact OG-CB 3.26Å; S196-A198 WeakPolarHBondContact OG-CB 3.47Å; S196-A198 PolarHBondContact OG-N 3.15Å; S196-A198 VanDerWaalsContact OG-N 3.17Å; S196-H199 PolarHBondContact O-CE1 2.92Å; S196-H199 VanDerWaalsContact O-CE1 3.25Å; S196-H199 PolarHBondContact O-ND1 3.39Å; S196-D233 WeakPolarHBondContact OG-CB 3.24Å; S196-E277 VanDerWaalsContact CB-CG 3.42Å; S196-E277 WeakPolarHBondContact CB-OE1 3.3Å; S196-E277 PolarHBondContact OG-OE1 2.98Å; S196-I278 PolarHBondContact N-O 3.31Å; S196-V280 PolarHBondContact O-N 2.68Å
197R90.4Very high82.7Confident66 Ų6658.1 Ų58.125%0.24930%0.298CS..  trans-95.94.2172.8-56.3163-66.9-173.3-0.9111.5H199 L200 E201 D233 Q235 W282R197-H199 PolarHBondContact O-N 2.98Å; R197-L200 WeakPolarHBondContact O-CA 3.27Å; R197-L200 WeakPolarHBondContact O-CB 3.34Å; R197-L200 PolarHBondContact O-N 3.45Å; R197-E201 PolarHBondContact O-N 3.38Å; R197-D233 VanDerWaalsContact CB-OD2 3.27Å; R197-D233 WeakPolarHBondContact CB-OD2 3.48Å; R197-D233 WeakPolarHBondContact CG-OD2 3.34Å; R197-D233 IonicContact CZ-OD1 2.62Å; R197-D233 IonicContact CZ-OD2 3.72Å; R197-D233 PolarHBondContact N-OD2 3.22Å; R197-D233 IonicContact NE-OD1 3.56Å; R197-D233 IonicContact NE-OD2 2.76Å; R197-D233 PolarHBondContact NE-OD2 3.33Å; R197-D233 IonicContact NH2-OD1 2.97Å; R197-D233 PolarHBondContact NH2-OD1 2.91Å; R197-D233 IonicContact NH2-OD2 2.68Å; R197-D233 PolarHBondContact NH2-OD2 2.97Å; R197-Q235 PolarHBondContact NH2-O 3.21Å; R197-W282 HydrophobicContact CG-CB 3.86Å; R197-W282 HydrophobicContact CG-CD2 4.1Å; R197-W282 HydrophobicContact CG-CG 3.7Å
198A80.8Confident81.6Confident8 Ų858.5 Ų58.57%0.06629%0.291CS..THydrogen-bonded Turntrans-58.5-26-174.400000113.6S196 L200 E201 R232S196-A198 VanDerWaalsContact OG-CB 3.26Å; S196-A198 WeakPolarHBondContact OG-CB 3.47Å; S196-A198 PolarHBondContact OG-N 3.15Å; S196-A198 VanDerWaalsContact OG-N 3.17Å; A198-L200 VanDerWaalsContact C-N 3.31Å; A198-E201 WeakPolarHBondContact O-CB 3.22Å; A198-R232 HydrophobicContact CB-CB 3.94Å
199H80.3Confident80.7Confident94 Ų9457 Ų5744%0.43529%0.289SS..THydrogen-bonded Turntrans-71.6-23.5174.965.2-76.3000113.2S196 R197 V280S196-H199 PolarHBondContact O-CE1 2.92Å; S196-H199 VanDerWaalsContact O-CE1 3.25Å; S196-H199 PolarHBondContact O-ND1 3.39Å; R197-H199 PolarHBondContact O-N 2.98Å; H199-V280 PolarHBondContact CE1-O 2.94Å
200L75.3Confident79.8Confident43 Ų4361.8 Ų61.823%0.22530%0.304CS..THydrogen-bonded Turntrans-89.4-9.9178.4-54.9174.7000112.9R197 A198 K202 E203 S204 W282R197-L200 WeakPolarHBondContact O-CA 3.27Å; R197-L200 WeakPolarHBondContact O-CB 3.34Å; R197-L200 PolarHBondContact O-N 3.45Å; A198-L200 VanDerWaalsContact C-N 3.31Å; L200-K202 PolarHBondContact O-N 2.86Å; L200-E203 PolarHBondContact O-N 3.44Å; L200-S204 PolarHBondContact O-N 2.99Å; L200-S204 VanDerWaalsContact O-N 3.1Å; L200-W282 HydrophobicContact CD1-CB 3.91Å; L200-W282 HydrophobicContact CD1-CE3 4.26Å
201E70.1Confident78.8Confident37 Ų3767.2 Ų67.217%0.17333%0.327CS..Hα-helixtrans-55.5-40.1-177.6-74.9176.4158.200112R197 A198 E203 S204 I205 H220 R232R197-E201 PolarHBondContact O-N 3.38Å; A198-E201 WeakPolarHBondContact O-CB 3.22Å; E201-E203 PolarHBondContact O-N 2.97Å; E201-S204 PolarHBondContact O-N 3.14Å; E201-I205 HydrophobicContact CB-CD1 4.41Å; E201-I205 WeakPolarHBondContact O-CB 3.33Å; E201-I205 VanDerWaalsContact O-CD1 3.3Å; E201-I205 WeakPolarHBondContact O-CD1 3.32Å; E201-I205 WeakPolarHBondContact O-CG1 3.39Å; E201-I205 PolarHBondContact O-N 2.97Å; E201-H220 IonicContact OE1-CE1 2.68Å; E201-H220 PolarHBondContact OE1-CE1 3.16Å; E201-H220 VanDerWaalsContact OE1-CE1 3.28Å; E201-R232 IonicContact OE2-NH2 2.98Å; E201-R232 PolarHBondContact OE2-NH2 3.34Å
202K64.1Low77.7Confident177 Ų17773.1 Ų73.177%0.7735%0.35SS*.Hα-helixtrans-62.6-44.7-177.3-68.4-174.8178.4-178.70112.5L200 A206L200-K202 PolarHBondContact O-N 2.86Å; K202-A206 PolarHBondContact O-N 3.36Å
203E64.9Low76.7Confident144 Ų14474 Ų7467%0.67336%0.355SS*.Hα-helixtrans-69.3-38.1178-65.2-179.6174.700111.1L200 E201 A206L200-E203 PolarHBondContact O-N 3.44Å; E201-E203 PolarHBondContact O-N 2.97Å; E203-A206 PolarHBondContact O-N 3.36Å
204S61.5Low76Confident30 Ų3079.7 Ų79.721%0.2139%0.385CS..Hα-helixtrans-67.8-38.3178.4-162.80000113.3L200 E201 A206 Q207 R208L200-S204 PolarHBondContact O-N 2.99Å; L200-S204 VanDerWaalsContact O-N 3.1Å; E201-S204 PolarHBondContact O-N 3.14Å; S204-A206 VanDerWaalsContact C-N 3.3Å; S204-A206 PolarHBondContact O-N 3.3Å; S204-Q207 PolarHBondContact O-N 2.81Å; S204-R208 WeakPolarHBondContact O-CD 3.49Å; S204-R208 VanDerWaalsContact O-CG 3.26Å; S204-R208 WeakPolarHBondContact O-CG 3.35Å; S204-R208 PolarHBondContact OG-NE 3.47Å; S204-R208 VanDerWaalsContact OG-NE 3.13Å; S204-R208 PolarHBondContact OG-NH1 3.34Å; S204-R208 PolarHBondContact OG-NH2 3.18Å
205I60.9Low75.2Confident46 Ų4682 Ų8224%0.23640%0.397CS..Hα-helixtrans-64-37.5178.1-70.5159.2000110.9E201 Q207 R208 T213 M216 Y217E201-I205 HydrophobicContact CB-CD1 4.41Å; E201-I205 WeakPolarHBondContact O-CB 3.33Å; E201-I205 VanDerWaalsContact O-CD1 3.3Å; E201-I205 WeakPolarHBondContact O-CD1 3.32Å; E201-I205 WeakPolarHBondContact O-CG1 3.39Å; E201-I205 PolarHBondContact O-N 2.97Å; I205-Q207 PolarHBondContact O-N 3.46Å; I205-Q207 VanDerWaalsContact O-N 3.14Å; I205-R208 PolarHBondContact O-N 3.2Å; I205-T213 HydrophobicContact CG1-CG2 4.49Å; I205-T213 HydrophobicContact CG2-CG2 4.09Å; I205-M216 HydrophobicContact CD1-CE 4.1Å; I205-M216 HydrophobicContact CG1-CE 4.24Å; I205-Y217 WeakPolarHBondContact CD1-OH 3.42Å
206A61.2Low74.5Confident89 Ų8983.5 Ų83.574%0.73640%0.404SS*.Hα-helixtrans-62.5-21.3-178.900000113.5K202 E203 S204K202-A206 PolarHBondContact O-N 3.36Å; E203-A206 PolarHBondContact O-N 3.36Å; S204-A206 VanDerWaalsContact C-N 3.3Å; S204-A206 PolarHBondContact O-N 3.3Å
207Q61.5Low74.1Confident178 Ų17889.1 Ų89.183%0.83243%0.425SS*.THydrogen-bonded Turntrans-106.51.7-177.6-59.7-172.8-4.400113.7S204 I205S204-Q207 PolarHBondContact O-N 2.81Å; I205-Q207 PolarHBondContact O-N 3.46Å; I205-Q207 VanDerWaalsContact O-N 3.14Å
208R69.1Low73.9Confident74 Ų7487.5 Ų87.528%0.27943%0.429SS..SBendtrans-111.6151.9-171.7-76175.7177.2-179.75.3113.3S204 I205S204-R208 WeakPolarHBondContact O-CD 3.49Å; S204-R208 VanDerWaalsContact O-CG 3.26Å; S204-R208 WeakPolarHBondContact O-CG 3.35Å; S204-R208 PolarHBondContact OG-NE 3.47Å; S204-R208 VanDerWaalsContact OG-NE 3.13Å; S204-R208 PolarHBondContact OG-NH1 3.34Å; S204-R208 PolarHBondContact OG-NH2 3.18Å; I205-R208 PolarHBondContact O-N 3.2Å
209S75.2Confident74.2Confident80 Ų8087.5 Ų87.556%0.55943%0.428SS*.  trans-60.8139.8172.2168.70000112F211 R212 T213S209-F211 PolarHBondContact O-N 2.88Å; S209-F211 VanDerWaalsContact O-N 3.15Å; S209-R212 WeakPolarHBondContact O-CB 3.47Å; S209-R212 PolarHBondContact O-N 3.1Å; S209-T213 PolarHBondContact O-N 2.94Å; S209-T213 PolarHBondContact O-OG1 2.79Å
210Y77Confident74.5Confident215 Ų21586 Ų8684%0.84342%0.421SS*.Hα-helixtrans-50.9-37.6178-67.7-74.4000113.8T213 L214Y210-T213 WeakPolarHBondContact O-CB 3.23Å; Y210-T213 PolarHBondContact O-N 3Å; Y210-L214 PolarHBondContact O-N 2.91Å
211F76.9Confident75.2Confident125 Ų12589.3 Ų89.355%0.54843%0.434SS..Hα-helixtrans-64.9-41.6178.7-179.8-108.5000112.2S209 T213 L214 L215S209-F211 PolarHBondContact O-N 2.88Å; S209-F211 VanDerWaalsContact O-N 3.15Å; F211-T213 VanDerWaalsContact C-N 3.29Å; F211-T213 PolarHBondContact O-N 3.13Å; F211-L214 PolarHBondContact O-N 3.06Å; F211-L215 HydrophobicContact CD1-CD1 3.91Å; F211-L215 HydrophobicContact CD1-CG 4.47Å; F211-L215 HydrophobicContact CE1-CD1 3.4Å; F211-L215 VanDerWaalsContact CE1-CD1 3.4Å; F211-L215 HydrophobicContact CE1-CG 4.12Å; F211-L215 HydrophobicContact CE2-CG 4.43Å; F211-L215 HydrophobicContact CZ-CD1 3.76Å; F211-L215 HydrophobicContact CZ-CD2 4.26Å; F211-L215 HydrophobicContact CZ-CG 4.09Å; F211-L215 WeakPolarHBondContact O-CG 3.37Å; F211-L215 PolarHBondContact O-N 3.27Å
212R74.1Confident76.3Confident123 Ų12390.4 Ų90.446%0.46444%0.441SS..Hα-helixtrans-66.7-35.2177.7-171.1174.6178.2179.1-3111.1S209 M216S209-R212 WeakPolarHBondContact O-CB 3.47Å; S209-R212 PolarHBondContact O-N 3.1Å; R212-M216 WeakPolarHBondContact O-CB 3.25Å; R212-M216 PolarHBondContact O-N 3.34Å
213T79.4Confident77.6Confident20 Ų2082.3 Ų82.312%0.12341%0.406CS..Hα-helixtrans-66.3-45.3174.5-57.60000111.8I205 S209 Y210 F211 L215 M216 Y217I205-T213 HydrophobicContact CG1-CG2 4.49Å; I205-T213 HydrophobicContact CG2-CG2 4.09Å; S209-T213 PolarHBondContact O-N 2.94Å; S209-T213 PolarHBondContact O-OG1 2.79Å; Y210-T213 WeakPolarHBondContact O-CB 3.23Å; Y210-T213 PolarHBondContact O-N 3Å; F211-T213 VanDerWaalsContact C-N 3.29Å; F211-T213 PolarHBondContact O-N 3.13Å; T213-L215 PolarHBondContact O-N 3.26Å; T213-M216 PolarHBondContact O-N 3.34Å; T213-Y217 HydrophobicContact CG2-CD2 3.8Å; T213-Y217 HydrophobicContact CG2-CE2 3.45Å; T213-Y217 VanDerWaalsContact CG2-CE2 3.45Å; T213-Y217 WeakPolarHBondContact O-CD2 3.31Å; T213-Y217 PolarHBondContact O-N 2.82Å
214L82.9Confident79Confident119 Ų11981.9 Ų81.962%0.62340%0.398SS*.Hα-helixtrans-59.2-46.4174.9177.164.8000111.5Y210 F211 Y217 G218Y210-L214 PolarHBondContact O-N 2.91Å; F211-L214 PolarHBondContact O-N 3.06Å; L214-Y217 PolarHBondContact O-N 3.43Å; L214-G218 PolarHBondContact O-N 2.82Å
215L81.3Confident80.5Confident47 Ų4786.3 Ų86.325%0.24641%0.414CS..Hα-helixtrans-57.7-54175.4-72.4179.8000110.3F211 T213 Y217 G218 F219 W296F211-L215 HydrophobicContact CD1-CD1 3.91Å; F211-L215 HydrophobicContact CD1-CG 4.47Å; F211-L215 HydrophobicContact CE1-CD1 3.4Å; F211-L215 VanDerWaalsContact CE1-CD1 3.4Å; F211-L215 HydrophobicContact CE1-CG 4.12Å; F211-L215 HydrophobicContact CE2-CG 4.43Å; F211-L215 HydrophobicContact CZ-CD1 3.76Å; F211-L215 HydrophobicContact CZ-CD2 4.26Å; F211-L215 HydrophobicContact CZ-CG 4.09Å; F211-L215 WeakPolarHBondContact O-CG 3.37Å; F211-L215 PolarHBondContact O-N 3.27Å; T213-L215 PolarHBondContact O-N 3.26Å; L215-Y217 VanDerWaalsContact C-N 3.32Å; L215-Y217 PolarHBondContact O-N 3.45Å; L215-G218 CarbonylContact O-C 3.08Å; L215-G218 WeakPolarHBondContact O-CA 3.24Å; L215-G218 PolarHBondContact O-N 3.34Å; L215-F219 PolarHBondContact O-N 2.96Å; L215-W296 VanDerWaalsContact C-CH2 3.47Å; L215-W296 HydrophobicContact CB-CH2 3.74Å; L215-W296 HydrophobicContact CB-CZ2 3.75Å; L215-W296 HydrophobicContact CB-CZ3 4.39Å; L215-W296 HydrophobicContact CD2-CE3 4.42Å; L215-W296 HydrophobicContact CD2-CH2 4.23Å; L215-W296 HydrophobicContact CD2-CZ3 4.04Å; L215-W296 WeakPolarHBondContact O-CH2 3.25Å
216M82.7Confident82Confident33 Ų3385.1 Ų85.116%0.16341%0.408CS..Hα-helixtrans-50.5-49.1178.8-177.8-163.176.600112.8I205 R212 T213 G218 F219 H220I205-M216 HydrophobicContact CD1-CE 4.1Å; I205-M216 HydrophobicContact CG1-CE 4.24Å; R212-M216 WeakPolarHBondContact O-CB 3.25Å; R212-M216 PolarHBondContact O-N 3.34Å; T213-M216 PolarHBondContact O-N 3.34Å; M216-G218 PolarHBondContact O-N 2.89Å; M216-F219 WeakPolarHBondContact O-CB 3.45Å; M216-F219 PolarHBondContact O-N 3.5Å; M216-H220 PolarHBondContact O-N 2.9Å
217Y85.6Confident83.5Confident123 Ų12381.2 Ų81.248%0.48238%0.375SS..Hα-helixtrans-64.2-39.6177.3-73.9-58.4000113I205 T213 L214 L215 F219 H220 F221I205-Y217 WeakPolarHBondContact CD1-OH 3.42Å; T213-Y217 HydrophobicContact CG2-CD2 3.8Å; T213-Y217 HydrophobicContact CG2-CE2 3.45Å; T213-Y217 VanDerWaalsContact CG2-CE2 3.45Å; T213-Y217 WeakPolarHBondContact O-CD2 3.31Å; T213-Y217 PolarHBondContact O-N 2.82Å; L214-Y217 PolarHBondContact O-N 3.43Å; L215-Y217 VanDerWaalsContact C-N 3.32Å; L215-Y217 PolarHBondContact O-N 3.45Å; Y217-F219 VanDerWaalsContact C-N 3.31Å; Y217-F219 PolarHBondContact O-N 3.47Å; Y217-H220 PolarHBondContact O-N 2.91Å; Y217-F221 WeakPolarHBondContact O-CB 3.21Å; Y217-F221 PolarHBondContact O-N 3.12Å
218G87.4Confident85.1Confident32 Ų3272.8 Ų72.833%0.3334%0.336SS..Hα-helixtrans-60.3-39.8173.300000112.4L214 L215 M216 F221 L222L214-G218 PolarHBondContact O-N 2.82Å; L215-G218 CarbonylContact O-C 3.08Å; L215-G218 WeakPolarHBondContact O-CA 3.24Å; L215-G218 PolarHBondContact O-N 3.34Å; M216-G218 PolarHBondContact O-N 2.89Å; G218-F221 PolarHBondContact O-N 3.33Å; G218-L222 WeakPolarHBondContact O-CG 3.18Å; G218-L222 PolarHBondContact O-N 2.95Å
219F86.1Confident86.3Confident9 Ų975.3 Ų75.34%0.03935%0.349CS..Hα-helixtrans-65.3-47.7174.7-172.4-107.6000112.1L215 M216 Y217 F221 L222 V223 Q235 W296 M299 L303L215-F219 PolarHBondContact O-N 2.96Å; M216-F219 WeakPolarHBondContact O-CB 3.45Å; M216-F219 PolarHBondContact O-N 3.5Å; Y217-F219 VanDerWaalsContact C-N 3.31Å; Y217-F219 PolarHBondContact O-N 3.47Å; F219-F221 PolarHBondContact O-N 3.27Å; F219-L222 PolarHBondContact O-N 3.45Å; F219-L222 VanDerWaalsContact O-N 3.11Å; F219-V223 HydrophobicContact CD1-CG2 4.01Å; F219-V223 HydrophobicContact CE1-CG2 3.48Å; F219-V223 VanDerWaalsContact CE1-CG2 3.48Å; F219-V223 HydrophobicContact CE2-CG2 4.07Å; F219-V223 HydrophobicContact CG-CG2 4.49Å; F219-V223 HydrophobicContact CZ-CG2 3.49Å; F219-V223 VanDerWaalsContact CZ-CG2 3.49Å; F219-V223 WeakPolarHBondContact O-CG2 3.35Å; F219-V223 PolarHBondContact O-N 3.01Å; F219-Q235 HydrophobicContact CE1-CG 4.49Å; F219-W296 HydrophobicContact CB-CH2 3.48Å; F219-W296 VanDerWaalsContact CB-CH2 3.48Å; F219-W296 HydrophobicContact CB-CZ2 3.71Å; F219-W296 HydrophobicContact CB-CZ3 4.4Å; F219-W296 HydrophobicContact CD2-CH2 4.4Å; F219-W296 HydrophobicContact CG-CH2 4.31Å; F219-W296 HydrophobicContact CG-CZ2 4.33Å; F219-M299 HydrophobicContact CD2-CE 4Å; F219-M299 HydrophobicContact CE1-CE 3.84Å; F219-M299 HydrophobicContact CE2-CB 4.26Å; F219-M299 HydrophobicContact CE2-CE 3.19Å; F219-M299 HydrophobicContact CZ-CE 3.11Å; F219-L303 HydrophobicContact CD2-CD1 4.17Å; F219-L303 HydrophobicContact CE2-CD1 3.55Å; F219-L303 HydrophobicContact CE2-CG 4.35Å; F219-L303 HydrophobicContact CZ-CD1 4.11Å
220H88Confident87Confident63 Ų6375.2 Ų75.229%0.29236%0.361SS..Hα-helixtrans-58-41.5177.2-68.1177.9000111.2E201 M216 Y217 V223 W224E201-H220 IonicContact OE1-CE1 2.68Å; E201-H220 PolarHBondContact OE1-CE1 3.16Å; E201-H220 VanDerWaalsContact OE1-CE1 3.28Å; M216-H220 PolarHBondContact O-N 2.9Å; Y217-H220 PolarHBondContact O-N 2.91Å; H220-V223 PolarHBondContact O-N 2.93Å; H220-W224 VanDerWaalsContact O-CB 3.31Å; H220-W224 WeakPolarHBondContact O-CB 3.47Å; H220-W224 PolarHBondContact O-N 3.28Å
221F90.4Very high87.8Confident112 Ų11266 Ų6649%0.49133%0.325SS..Hα-helixtrans-61.1-47174175.5-98.7000112.2Y217 G218 F219 V223 W224 F225Y217-F221 WeakPolarHBondContact O-CB 3.21Å; Y217-F221 PolarHBondContact O-N 3.12Å; G218-F221 PolarHBondContact O-N 3.33Å; F219-F221 PolarHBondContact O-N 3.27Å; F221-V223 PolarHBondContact O-N 2.81Å; F221-W224 HydrophobicContact CD2-CE3 4.02Å; F221-W224 HydrophobicContact CD2-CZ3 4.16Å; F221-W224 HydrophobicContact CE2-CE3 4.06Å; F221-W224 AromaticContact CE2-CZ3 3.78Å; F221-W224 HydrophobicContact CE2-CZ3 3.78Å; F221-W224 PolarHBondContact O-N 3.29Å; F221-F225 HydrophobicContact CE1-CB 4.37Å; F221-F225 HydrophobicContact CZ-CB 4.32Å; F221-F225 HydrophobicContact CZ-CD2 4.44Å; F221-F225 HydrophobicContact CZ-CG 4.35Å; F221-F225 WeakPolarHBondContact O-CB 3.29Å; F221-F225 PolarHBondContact O-N 3.35Å
222L91.5Very high88.4Confident60 Ų6067.3 Ų67.331%0.31433%0.327SS..Hα-helixtrans-62.3-43.8178.5-73.3174.7000112.2G218 F219 F225 L226 L303G218-L222 WeakPolarHBondContact O-CG 3.18Å; G218-L222 PolarHBondContact O-N 2.95Å; F219-L222 PolarHBondContact O-N 3.45Å; F219-L222 VanDerWaalsContact O-N 3.11Å; L222-F225 PolarHBondContact O-N 2.94Å; L222-L226 HydrophobicContact CD2-CD1 4.19Å; L222-L226 VanDerWaalsContact O-CB 3.24Å; L222-L226 WeakPolarHBondContact O-CB 3.05Å; L222-L226 WeakPolarHBondContact O-CG 3.3Å; L222-L226 PolarHBondContact O-N 3.09Å; L222-L303 HydrophobicContact CB-CD1 3.91Å
223V92.4Very high89.3Confident7 Ų762 Ų624%0.04231%0.308CS..Hα-helixtrans-60.5-47.9176.3171.30000110.6F219 H220 F221 C227 V228 T234 V262 L303F219-V223 HydrophobicContact CD1-CG2 4.01Å; F219-V223 HydrophobicContact CE1-CG2 3.48Å; F219-V223 VanDerWaalsContact CE1-CG2 3.48Å; F219-V223 HydrophobicContact CE2-CG2 4.07Å; F219-V223 HydrophobicContact CG-CG2 4.49Å; F219-V223 HydrophobicContact CZ-CG2 3.49Å; F219-V223 VanDerWaalsContact CZ-CG2 3.49Å; F219-V223 WeakPolarHBondContact O-CG2 3.35Å; F219-V223 PolarHBondContact O-N 3.01Å; H220-V223 PolarHBondContact O-N 2.93Å; F221-V223 PolarHBondContact O-N 2.81Å; V223-C227 CarbonylContact O-C 3.58Å; V223-C227 WeakPolarHBondContact O-CA 3.37Å; V223-C227 PolarHBondContact O-N 2.98Å; V223-V228 HydrophobicContact CG1-CB 4.22Å; V223-V228 PolarHBondContact O-N 3.11Å; V223-T234 HydrophobicContact CG1-CG2 3.9Å; V223-V262 HydrophobicContact CG1-CG1 4Å; V223-V262 HydrophobicContact CG1-CG2 4.43Å; V223-V262 HydrophobicContact CG2-CG1 4.45Å; V223-V262 HydrophobicContact CG2-CG2 4.16Å; V223-L303 HydrophobicContact CG2-CD1 3.7Å; V223-L303 HydrophobicContact CG2-CD2 4.14Å
224W94.3Very high89.9Confident135 Ų13561.3 Ų61.351%0.51130%0.304SS..Hα-helixtrans-63.5-42.8179.2169.581.5000113.1H220 F221 V228H220-W224 VanDerWaalsContact O-CB 3.31Å; H220-W224 WeakPolarHBondContact O-CB 3.47Å; H220-W224 PolarHBondContact O-N 3.28Å; F221-W224 HydrophobicContact CD2-CE3 4.02Å; F221-W224 HydrophobicContact CD2-CZ3 4.16Å; F221-W224 HydrophobicContact CE2-CE3 4.06Å; F221-W224 AromaticContact CE2-CZ3 3.78Å; F221-W224 HydrophobicContact CE2-CZ3 3.78Å; F221-W224 PolarHBondContact O-N 3.29Å; W224-V228 WeakPolarHBondContact CA-O 3.47Å
225F93.6Very high90.3Very high122 Ų12258 Ų5854%0.53529%0.285SS..Hα-helixtrans-73.2-42.5-176.4-178.4-107.7000112F221 L222F221-F225 HydrophobicContact CE1-CB 4.37Å; F221-F225 HydrophobicContact CZ-CB 4.32Å; F221-F225 HydrophobicContact CZ-CD2 4.44Å; F221-F225 HydrophobicContact CZ-CG 4.35Å; F221-F225 WeakPolarHBondContact O-CB 3.29Å; F221-F225 PolarHBondContact O-N 3.35Å; L222-F225 PolarHBondContact O-N 2.94Å
226L92.4Very high90.9Very high21 Ų2155.8 Ų55.811%0.1127%0.273CS..Hα-helixtrans-94.4-34.4-172.4-62.3174.2000113.5L222 L303 L304 R307L222-L226 HydrophobicContact CD2-CD1 4.19Å; L222-L226 VanDerWaalsContact O-CB 3.24Å; L222-L226 WeakPolarHBondContact O-CB 3.05Å; L222-L226 WeakPolarHBondContact O-CG 3.3Å; L222-L226 PolarHBondContact O-N 3.09Å; L226-L303 HydrophobicContact CD1-CB 4.13Å; L226-L304 HydrophobicContact CD1-CB 4.48Å; L226-L304 HydrophobicContact CD2-CD1 4.47Å; L226-R307 HydrophobicContact CB-CB 4.16Å; L226-R307 HydrophobicContact CB-CG 4.47Å; L226-R307 HydrophobicContact CD2-CB 4.49Å; L226-R307 HydrophobicContact CD2-CG 4.31Å; L226-R307 WeakPolarHBondContact O-CB 3.44Å; L226-R307 WeakPolarHBondContact O-CD 3.49Å; L226-R307 WeakPolarHBondContact O-CG 3.44Å
227C92.8Very high91.4Very high7 Ų754.3 Ų54.35%0.04727%0.267CS..THydrogen-bonded Turntrans-126.4-83.1-165.6-58.80000112.3V223 V262 Y266V223-C227 CarbonylContact O-C 3.58Å; V223-C227 WeakPolarHBondContact O-CA 3.37Å; V223-C227 PolarHBondContact O-N 2.98Å; C227-V262 HydrophobicContact CB-CG1 3.5Å; C227-V262 VanDerWaalsContact CB-CG1 3.5Å; C227-Y266 HydrophobicContact CB-CD2 4.05Å; C227-Y266 WeakPolarHBondContact O-CD2 3.14Å
228V94.8Very high91.9Very high1 Ų148.6 Ų48.61%0.00624%0.244CC..  trans-109.4126.6-160-179.80000110.4V223 W224 I231 T234 V262 L265V223-V228 HydrophobicContact CG1-CB 4.22Å; V223-V228 PolarHBondContact O-N 3.11Å; W224-V228 WeakPolarHBondContact CA-O 3.47Å; V228-I231 HydrophobicContact CG1-CB 4.08Å; V228-I231 HydrophobicContact CG1-CD1 3.87Å; V228-I231 HydrophobicContact CG1-CG1 4.21Å; V228-T234 HydrophobicContact CB-CG2 4.08Å; V228-T234 HydrophobicContact CG1-CG2 3.92Å; V228-V262 HydrophobicContact CG2-CG1 3.92Å; V228-V262 WeakPolarHBondContact CG2-O 3.37Å; V228-L265 HydrophobicContact CG1-CB 4.02Å; V228-L265 HydrophobicContact CG2-CB 3.77Å
229K92.8Very high92.5Very high128 Ų12847 Ų4756%0.55723%0.228SC*.  trans-107.2145.2178.7-63.8-175.4179.6-1760112I231 Q269K229-I231 VanDerWaalsContact C-N 3.31Å; K229-I231 PolarHBondContact O-N 2.98Å; K229-Q269 PolarHBondContact O-NE2 3.5Å
230G91.1Very high93.1Very high78 Ų7846.6 Ų46.680%0.80423%0.226SC*.SBendtrans75.910.2171.600000116.1
231I93.1Very high93.6Very high20 Ų2043.6 Ų43.610%0.10321%0.212CC..  trans-123.7123.5171.5-58.9174.5000107.1V228 K229 T234 L265 I275V228-I231 HydrophobicContact CG1-CB 4.08Å; V228-I231 HydrophobicContact CG1-CD1 3.87Å; V228-I231 HydrophobicContact CG1-CG1 4.21Å; K229-I231 VanDerWaalsContact C-N 3.31Å; K229-I231 PolarHBondContact O-N 2.98Å; I231-T234 HydrophobicContact CB-CG2 4.23Å; I231-T234 HydrophobicContact CG2-CG2 4.03Å; I231-L265 HydrophobicContact CD1-CB 4.42Å; I231-L265 HydrophobicContact CD1-CD1 3.96Å; I231-L265 HydrophobicContact CD1-CD2 4.14Å; I231-L265 HydrophobicContact CD1-CG 4.4Å; I231-L265 HydrophobicContact CG2-CD1 4.31Å; I231-I275 HydrophobicContact CD1-CB 4.15Å; I231-I275 HydrophobicContact CD1-CD1 3.8Å; I231-I275 HydrophobicContact CD1-CG2 3.69Å
232R90.9Very high94Very high153 Ų15338.5 Ų38.558%0.57719%0.19SC*.SBendtrans-81.1-50.3-177.3-60.7178.158.4-179.2-8.5111.5A198 E201 E277A198-R232 HydrophobicContact CB-CB 3.94Å; E201-R232 IonicContact OE2-NH2 2.98Å; E201-R232 PolarHBondContact OE2-NH2 3.34Å; R232-E277 WeakPolarHBondContact CB-OE1 3.22Å; R232-E277 PolarHBondContact N-OE1 3.32Å; R232-E277 PolarHBondContact N-OE2 2.79Å
233D91.9Very high94.3Very high12 Ų1236.2 Ų36.26%0.06418%0.177CC..  trans-102.983.5179.2-169.2-3.3000112S196 R197 Q235 C236 E277S196-D233 WeakPolarHBondContact OG-CB 3.24Å; R197-D233 VanDerWaalsContact CB-OD2 3.27Å; R197-D233 WeakPolarHBondContact CB-OD2 3.48Å; R197-D233 WeakPolarHBondContact CG-OD2 3.34Å; R197-D233 IonicContact CZ-OD1 2.62Å; R197-D233 IonicContact CZ-OD2 3.72Å; R197-D233 PolarHBondContact N-OD2 3.22Å; R197-D233 IonicContact NE-OD1 3.56Å; R197-D233 IonicContact NE-OD2 2.76Å; R197-D233 PolarHBondContact NE-OD2 3.33Å; R197-D233 IonicContact NH2-OD1 2.97Å; R197-D233 PolarHBondContact NH2-OD1 2.91Å; R197-D233 IonicContact NH2-OD2 2.68Å; R197-D233 PolarHBondContact NH2-OD2 2.97Å; D233-Q235 VanDerWaalsContact C-N 3.26Å; D233-Q235 PolarHBondContact O-N 3.45Å; D233-Q235 PolarHBondContact OD1-N 2.86Å; D233-C236 PolarHBondContact OD1-N 3.35Å; D233-C236 VanDerWaalsContact OD1-N 3.16Å; D233-E277 PolarHBondContact N-OE1 2.95Å
234T92.6Very high94.5Very high6 Ų638.5 Ų38.54%0.03719%0.188CC..THydrogen-bonded Turntrans-70.5-20.4179.155.20000113.7V223 V228 I231 K239 D261 L265V223-T234 HydrophobicContact CG1-CG2 3.9Å; V228-T234 HydrophobicContact CB-CG2 4.08Å; V228-T234 HydrophobicContact CG1-CG2 3.92Å; I231-T234 HydrophobicContact CB-CG2 4.23Å; I231-T234 HydrophobicContact CG2-CG2 4.03Å; T234-K239 WeakPolarHBondContact O-CE 3.34Å; T234-K239 PolarHBondContact O-NZ 3.45Å; T234-D261 WeakPolarHBondContact O-CB 3.49Å; T234-L265 HydrophobicContact CG2-CD1 3.88Å
235Q91.1Very high94.7Very high50 Ų5032.1 Ų32.123%0.23416%0.164CC..THydrogen-bonded Turntrans-11011.3-167.5-57.5-177.9-71.700113.5R197 F219 D233 G237 V262 M299R197-Q235 PolarHBondContact NH2-O 3.21Å; F219-Q235 HydrophobicContact CE1-CG 4.49Å; D233-Q235 VanDerWaalsContact C-N 3.26Å; D233-Q235 PolarHBondContact O-N 3.45Å; D233-Q235 PolarHBondContact OD1-N 2.86Å; Q235-G237 PolarHBondContact O-N 3.02Å; Q235-V262 HydrophobicContact CG-CG2 4.5Å; Q235-M299 VanDerWaalsContact NE2-CE 3.26Å
236C93.2Very high94.9Very high0 Ų026.3 Ų26.30%014%0.138CC..  trans-63.1129172.5-171.30000109.9G195 D233 F238 K239G195-C236 WeakPolarHBondContact O-CB 3.48Å; G195-C236 PolarHBondContact O-SG 2.84Å; D233-C236 PolarHBondContact OD1-N 3.35Å; D233-C236 VanDerWaalsContact OD1-N 3.16Å; C236-F238 PolarHBondContact O-N 2.79Å; C236-K239 WeakPolarHBondContact O-CE 3.19Å
237G93.1Very high95.1Very high2 Ų225.9 Ų25.92%0.02114%0.137CC..SBendtrans-72.9-3.9-179.700000115.1M161 A162 D163 Q235M161-G237 CarbonylContact C-O 3.52Å; M161-G237 VanDerWaalsContact C-O 3.23Å; M161-G237 WeakPolarHBondContact CE-O 3.31Å; A162-G237 WeakPolarHBondContact CA-O 3.44Å; A162-G237 PolarHBondContact N-O 2.76Å; D163-G237 WeakPolarHBondContact OD2-CA 3.49Å; Q235-G237 PolarHBondContact O-N 3.02Å
238F97.6Very high95.2Very high2 Ų226.1 Ų26.11%0.00914%0.137CC..  trans-107.793.5-175.2-157.1-109.7000110L160 M161 A162 T168 D172 V173 L176 G195 C236 V280L160-F238 HydrophobicContact CD1-CD1 4.41Å; L160-F238 HydrophobicContact CD1-CD2 4.16Å; L160-F238 HydrophobicContact CD1-CE1 4.24Å; L160-F238 HydrophobicContact CD1-CE2 4Å; L160-F238 HydrophobicContact CD1-CG 4.37Å; L160-F238 HydrophobicContact CD1-CZ 4.04Å; L160-F238 HydrophobicContact CD2-CE2 3.75Å; L160-F238 HydrophobicContact CD2-CZ 3.89Å; L160-F238 HydrophobicContact CG-CE2 4.25Å; M161-F238 VanDerWaalsContact O-CA 3.31Å; M161-F238 WeakPolarHBondContact O-CA 3.04Å; A162-F238 HydrophobicContact CB-CD2 3.99Å; A162-F238 HydrophobicContact CB-CE2 4.18Å; T168-F238 HydrophobicContact CG2-CB 3.8Å; T168-F238 HydrophobicContact CG2-CD1 3.7Å; T168-F238 HydrophobicContact CG2-CD2 3.86Å; T168-F238 HydrophobicContact CG2-CE1 4.19Å; T168-F238 HydrophobicContact CG2-CE2 4.31Å; T168-F238 HydrophobicContact CG2-CG 3.53Å; T168-F238 HydrophobicContact CG2-CZ 4.47Å; D172-F238 HydrophobicContact CB-CE1 4.11Å; V173-F238 HydrophobicContact CB-CZ 4.19Å; L176-F238 HydrophobicContact CD1-CD1 3.48Å; L176-F238 VanDerWaalsContact CD1-CD1 3.48Å; L176-F238 HydrophobicContact CD1-CE1 3.68Å; L176-F238 HydrophobicContact CD1-CG 4.39Å; L176-F238 HydrophobicContact CG-CD1 4.18Å; L176-F238 HydrophobicContact CG-CE1 4.15Å; G195-F238 WeakPolarHBondContact CA-O 3.34Å; G195-F238 PolarHBondContact N-O 2.94Å; C236-F238 PolarHBondContact O-N 2.79Å; F238-V280 HydrophobicContact CD1-CG1 4.13Å
239K98.5Very high95.2Very high0 Ų026 Ų260%014%0.137CC..EExtended strand (participates in β ladder)trans-135.8131.5-174.4-62.1-178.91781560111.1L160 M161 A193 C194 T234 C236 F241 D261L160-K239 CarbonylContact C-O 3.59Å; L160-K239 WeakPolarHBondContact CA-O 3.48Å; M161-K239 HydrophobicContact CE-CB 4.08Å; M161-K239 HydrophobicContact CE-CD 3.71Å; M161-K239 HydrophobicContact CE-CG 3.86Å; M161-K239 PolarHBondContact N-O 2.85Å; M161-K239 PolarHBondContact O-N 2.93Å; M161-K239 VanDerWaalsContact O-N 3.17Å; A193-K239 CarbonylContact O-C 3.12Å; A193-K239 WeakPolarHBondContact O-CA 3.37Å; C194-K239 HydrophobicContact CB-CG 4.3Å; T234-K239 WeakPolarHBondContact O-CE 3.34Å; T234-K239 PolarHBondContact O-NZ 3.45Å; C236-K239 WeakPolarHBondContact O-CE 3.19Å; K239-F241 HydrophobicContact CB-CD2 4.47Å; K239-F241 HydrophobicContact CB-CE2 3.54Å; K239-F241 HydrophobicContact CB-CZ 3.76Å; K239-F241 HydrophobicContact CD-CZ 4.15Å; K239-F241 WeakPolarHBondContact O-CE2 3.4Å; K239-D261 IonicContact NZ-OD1 3.71Å; K239-D261 PolarHBondContact NZ-OD1 3.42Å
240L98.8Very high95.3Very high0 Ų020 Ų200%011%0.111CC..EExtended strand (participates in β ladder)trans-107.5131.3179.7-171.168.6000109.9L67 K158 L160 L176 E177 L180 I192 A193L67-L240 HydrophobicContact CD1-CD1 3.82Å; K158-L240 HydrophobicContact CB-CD1 4.03Å; K158-L240 HydrophobicContact CD-CD2 4.47Å; L160-L240 HydrophobicContact CB-CD1 3.86Å; L160-L240 HydrophobicContact CD1-CB 4.34Å; L160-L240 HydrophobicContact CD1-CD1 4.33Å; L176-L240 HydrophobicContact CB-CB 3.82Å; L176-L240 HydrophobicContact CB-CD2 3.86Å; L176-L240 HydrophobicContact CD1-CB 3.82Å; L176-L240 HydrophobicContact CG-CB 4.48Å; E177-L240 HydrophobicContact CB-CD2 4.31Å; E177-L240 HydrophobicContact CG-CD2 3.56Å; L180-L240 HydrophobicContact CD1-CB 4.3Å; L180-L240 HydrophobicContact CD1-CD2 3.51Å; L180-L240 HydrophobicContact CD1-CG 3.65Å; L180-L240 HydrophobicContact CG-CD2 4.26Å; I192-L240 WeakPolarHBondContact CA-O 3.44Å; A193-L240 HydrophobicContact CB-CB 4.48Å; A193-L240 PolarHBondContact N-O 2.54Å; A193-L240 PolarHBondContact O-N 3.35Å
241F98.8Very high95.4Very high0 Ų018.6 Ų18.60%09%0.089CC..EExtended strand (participates in β ladder)trans-121.4142.1-179-55.7-99000109.2K158 I159 M161 I192 K239 A246 F250 L264K158-F241 CarbonylContact C-O 3.49Å; K158-F241 WeakPolarHBondContact CA-O 3.31Å; I159-F241 PolarHBondContact N-O 3.21Å; I159-F241 WeakPolarHBondContact O-CD2 3.2Å; I159-F241 PolarHBondContact O-N 2.99Å; M161-F241 HydrophobicContact CB-CE2 4.32Å; I192-F241 HydrophobicContact CB-CD1 4.41Å; I192-F241 HydrophobicContact CD1-CD1 3.9Å; I192-F241 HydrophobicContact CD1-CE1 3.9Å; I192-F241 HydrophobicContact CG1-CD1 3.73Å; I192-F241 HydrophobicContact CG1-CE1 4.12Å; I192-F241 HydrophobicContact CG2-CD1 3.95Å; I192-F241 HydrophobicContact CG2-CE1 3.8Å; I192-F241 HydrophobicContact CG2-CZ 4.4Å; K239-F241 HydrophobicContact CB-CD2 4.47Å; K239-F241 HydrophobicContact CB-CE2 3.54Å; K239-F241 HydrophobicContact CB-CZ 3.76Å; K239-F241 HydrophobicContact CD-CZ 4.15Å; K239-F241 WeakPolarHBondContact O-CE2 3.4Å; F241-A246 HydrophobicContact CB-CB 3.78Å; F241-A246 HydrophobicContact CG-CB 4.27Å; F241-F250 HydrophobicContact CE1-CE2 4.26Å; F241-F250 HydrophobicContact CE2-CE2 4.47Å; F241-F250 HydrophobicContact CZ-CE2 4.18Å; F241-L264 HydrophobicContact CE1-CD2 3.74Å; F241-L264 HydrophobicContact CE1-CG 4.47Å; F241-L264 HydrophobicContact CZ-CD2 3.57Å
242T98.7Very high95.3Very high4 Ų418 Ų183%0.0259%0.086CC..EExtended strand (participates in β ladder)trans-61.2147.3153.353.80000109.1W186 Q189 M190 A191 E244 A245 A246W186-T242 HydrophobicContact CD2-CG2 4.13Å; W186-T242 HydrophobicContact CE3-CG2 3.77Å; W186-T242 HydrophobicContact CH2-CG2 4.28Å; W186-T242 HydrophobicContact CZ3-CG2 3.86Å; Q189-T242 VanDerWaalsContact O-CB 3.27Å; Q189-T242 WeakPolarHBondContact O-CB 3.34Å; Q189-T242 PolarHBondContact O-OG1 2.9Å; M190-T242 WeakPolarHBondContact CA-OG1 3.31Å; A191-T242 HydrophobicContact CB-CG2 4.06Å; A191-T242 PolarHBondContact N-OG1 3.3Å; A191-T242 PolarHBondContact O-N 3.27Å; A191-T242 VanDerWaalsContact O-N 3.1Å; A191-T242 PolarHBondContact O-OG1 2.99Å; T242-E244 PolarHBondContact O-N 2.76Å; T242-A245 PolarHBondContact O-N 2.7Å; T242-A245 VanDerWaalsContact O-N 3.14Å; T242-A245 WeakPolarHBondContact OG1-CB 3.07Å; T242-A245 PolarHBondContact OG1-N 2.84Å; T242-A246 PolarHBondContact O-N 2.95Å
243R98.1Very high95.3Very high12 Ų1210.9 Ų10.95%0.0456%0.06CC..Hα-helixtrans-49.8-43.8177.4170.4165.6-73.3-96.5-14.9112.9I59 D61 S154 R155 G156 E157 A246 S247I59-R243 VanDerWaalsContact C-NH1 3.28Å; I59-R243 VanDerWaalsContact CA-NH1 3.29Å; I59-R243 HydrophobicContact CG1-CG 4.33Å; I59-R243 PolarHBondContact O-NH1 2.68Å; D61-R243 PolarHBondContact O-NH1 3.09Å; S154-R243 VanDerWaalsContact C-NH2 3.3Å; S154-R243 PolarHBondContact O-NH1 3.1Å; S154-R243 PolarHBondContact O-NH2 2.93Å; R155-R243 VanDerWaalsContact CA-NH2 3.31Å; G156-R243 PolarHBondContact O-NE 3.48Å; G156-R243 PolarHBondContact O-NH2 3.49Å; E157-R243 VanDerWaalsContact O-CB 3.28Å; E157-R243 WeakPolarHBondContact O-CB 3.44Å; E157-R243 PolarHBondContact O-N 2.88Å; R243-A246 PolarHBondContact O-N 3.27Å; R243-S247 WeakPolarHBondContact O-CB 3.2Å; R243-S247 PolarHBondContact O-N 3.19Å
244E97.6Very high95.2Very high56 Ų5612.7 Ų12.726%0.2627%0.068SC..Hα-helixtrans-65.5-45.7-179-68.968.6-149.700111.4Q189 M190 T242 S247 Q248Q189-E244 HydrophobicContact CB-CB 4.47Å; Q189-E244 HydrophobicContact CB-CG 4Å; M190-E244 HydrophobicContact CG-CB 3.81Å; T242-E244 PolarHBondContact O-N 2.76Å; E244-S247 PolarHBondContact O-N 2.62Å; E244-Q248 VanDerWaalsContact O-CB 3.32Å; E244-Q248 WeakPolarHBondContact O-CB 3.39Å; E244-Q248 PolarHBondContact O-N 3.42Å
245A98.1Very high95Very high0 Ų013 Ų130%07%0.07CC..Hα-helixtrans-60.1-48.1174.700000111.2M190 I192 T242 S247 Q248 T249 I273M190-A245 HydrophobicContact CB-CB 3.99Å; M190-A245 HydrophobicContact CG-CB 4.36Å; I192-A245 HydrophobicContact CG1-CB 4.02Å; T242-A245 PolarHBondContact O-N 2.7Å; T242-A245 VanDerWaalsContact O-N 3.14Å; T242-A245 WeakPolarHBondContact OG1-CB 3.07Å; T242-A245 PolarHBondContact OG1-N 2.84Å; A245-S247 PolarHBondContact O-N 2.93Å; A245-Q248 PolarHBondContact O-N 3.45Å; A245-T249 WeakPolarHBondContact O-CB 3.45Å; A245-T249 WeakPolarHBondContact O-CG2 3.27Å; A245-T249 PolarHBondContact O-N 3.04Å; A245-T249 PolarHBondContact O-OG1 3.49Å; A245-I273 HydrophobicContact CB-CD1 4.25Å; A245-I273 HydrophobicContact CB-CG2 4.28Å
246A97.9Very high94.9Very high0 Ų012.1 Ų12.10%07%0.066CC..Hα-helixtrans-59.9-49.4179.500000111.6I59 I151 I159 F241 T242 R243 Q248 T249 F250I59-A246 HydrophobicContact CD1-CB 4.29Å; I151-A246 HydrophobicContact CG2-CB 3.99Å; I159-A246 HydrophobicContact CD1-CB 3.73Å; F241-A246 HydrophobicContact CB-CB 3.78Å; F241-A246 HydrophobicContact CG-CB 4.27Å; T242-A246 PolarHBondContact O-N 2.95Å; R243-A246 PolarHBondContact O-N 3.27Å; A246-Q248 VanDerWaalsContact C-N 3.35Å; A246-Q248 PolarHBondContact O-N 3.41Å; A246-T249 PolarHBondContact O-N 2.97Å; A246-T249 PolarHBondContact O-OG1 2.95Å; A246-F250 HydrophobicContact CB-CD2 4.5Å; A246-F250 VanDerWaalsContact O-CB 3.3Å; A246-F250 WeakPolarHBondContact O-CB 3.27Å; A246-F250 VanDerWaalsContact O-CD2 3.26Å; A246-F250 WeakPolarHBondContact O-CD2 3.15Å; A246-F250 PolarHBondContact O-N 3.06Å
247S95.8Very high94.7Very high13 Ų1318.6 Ų18.69%0.0919%0.09CC..Hα-helixtrans-53.7-50.3176.2161.10000111.9W60 R243 E244 A245 S251W60-S247 WeakPolarHBondContact CH2-OG 3.42Å; W60-S247 WeakPolarHBondContact CZ3-OG 3.48Å; R243-S247 WeakPolarHBondContact O-CB 3.2Å; R243-S247 PolarHBondContact O-N 3.19Å; E244-S247 PolarHBondContact O-N 2.62Å; A245-S247 PolarHBondContact O-N 2.93Å; S247-S251 VanDerWaalsContact O-CB 3.27Å; S247-S251 WeakPolarHBondContact O-CB 3.4Å; S247-S251 PolarHBondContact O-N 2.65Å; S247-S251 PolarHBondContact O-OG 2.64Å
248Q95.2Very high94.2Very high11 Ų1124.4 Ų24.45%0.05111%0.111CC..Hα-helixtrans-68.2-47.7-177.6-175.758.267.900112.2M190 E244 A245 A246 S252 F271 E318 T320M190-Q248 HydrophobicContact SD-CB 4.02Å; M190-Q248 HydrophobicContact SD-CG 4.14Å; E244-Q248 VanDerWaalsContact O-CB 3.32Å; E244-Q248 WeakPolarHBondContact O-CB 3.39Å; E244-Q248 PolarHBondContact O-N 3.42Å; A245-Q248 PolarHBondContact O-N 3.45Å; A246-Q248 VanDerWaalsContact C-N 3.35Å; A246-Q248 PolarHBondContact O-N 3.41Å; Q248-S252 PolarHBondContact O-N 3.49Å; Q248-S252 PolarHBondContact O-OG 2.93Å; Q248-F271 HydrophobicContact CG-CD1 4.45Å; Q248-F271 HydrophobicContact CG-CD2 3.81Å; Q248-F271 HydrophobicContact CG-CE1 4.34Å; Q248-F271 HydrophobicContact CG-CE2 3.66Å; Q248-F271 HydrophobicContact CG-CG 4.22Å; Q248-F271 HydrophobicContact CG-CZ 3.96Å; Q248-E318 PolarHBondContact NE2-O 3.43Å; Q248-T320 PolarHBondContact OE1-OG1 3.33Å
249T95.5Very high93.9Very high0 Ų024.4 Ų24.40%011%0.112CC..Hα-helixtrans-71.7-38.9-174.758.30000112.1I192 A245 A246 S252 L253 L264 I267 A268 I273I192-T249 HydrophobicContact CD1-CG2 4.39Å; A245-T249 WeakPolarHBondContact O-CB 3.45Å; A245-T249 WeakPolarHBondContact O-CG2 3.27Å; A245-T249 PolarHBondContact O-N 3.04Å; A245-T249 PolarHBondContact O-OG1 3.49Å; A246-T249 PolarHBondContact O-N 2.97Å; A246-T249 PolarHBondContact O-OG1 2.95Å; T249-S252 PolarHBondContact O-N 2.8Å; T249-L253 PolarHBondContact O-N 3.26Å; T249-L264 WeakPolarHBondContact OG1-CD1 3.21Å; T249-I267 HydrophobicContact CG2-CG2 4.2Å; T249-A268 HydrophobicContact CG2-CB 4.07Å; T249-I273 HydrophobicContact CG2-CD1 3.77Å
250F94.5Very high93.7Very high0 Ų024.4 Ų24.40%011%0.112CC..Hα-helixtrans-78.1-24.6-179.1-77-88.2000113.3I147 R148 I151 F152 F241 A246 S252 L253 L264I147-F250 HydrophobicContact CB-CE1 4.31Å; I147-F250 HydrophobicContact CG2-CE1 3.57Å; I147-F250 HydrophobicContact CG2-CZ 3.68Å; R148-F250 HydrophobicContact CB-CD1 3.94Å; R148-F250 WeakPolarHBondContact CD-O 3.49Å; R148-F250 HydrophobicContact CG-CB 4.33Å; R148-F250 HydrophobicContact CG-CD1 4.29Å; I151-F250 HydrophobicContact CD1-CD1 3.92Å; I151-F250 HydrophobicContact CD1-CD2 3.32Å; I151-F250 HydrophobicContact CD1-CE1 3.65Å; I151-F250 HydrophobicContact CD1-CE2 3.02Å; I151-F250 HydrophobicContact CD1-CG 3.77Å; I151-F250 HydrophobicContact CD1-CZ 3.19Å; I151-F250 HydrophobicContact CG1-CE2 4.49Å; I151-F250 HydrophobicContact CG2-CB 4.37Å; I151-F250 HydrophobicContact CG2-CD2 4.15Å; I151-F250 HydrophobicContact CG2-CG 4.27Å; F152-F250 HydrophobicContact CE1-CB 3.91Å; F152-F250 HydrophobicContact CZ-CB 4.13Å; F241-F250 HydrophobicContact CE1-CE2 4.26Å; F241-F250 HydrophobicContact CE2-CE2 4.47Å; F241-F250 HydrophobicContact CZ-CE2 4.18Å; A246-F250 HydrophobicContact CB-CD2 4.5Å; A246-F250 VanDerWaalsContact O-CB 3.3Å; A246-F250 WeakPolarHBondContact O-CB 3.27Å; A246-F250 VanDerWaalsContact O-CD2 3.26Å; A246-F250 WeakPolarHBondContact O-CD2 3.15Å; A246-F250 PolarHBondContact O-N 3.06Å; F250-S252 VanDerWaalsContact C-N 3.32Å; F250-L253 HydrophobicContact CD1-CD2 3.8Å; F250-L253 HydrophobicContact CE1-CD2 4Å; F250-L253 PolarHBondContact O-N 2.72Å; F250-L264 HydrophobicContact CD1-CD1 4.22Å; F250-L264 HydrophobicContact CD2-CD1 3.79Å; F250-L264 HydrophobicContact CE1-CD1 4Å; F250-L264 HydrophobicContact CE2-CD1 3.52Å; F250-L264 HydrophobicContact CE2-CD2 3.85Å; F250-L264 HydrophobicContact CE2-CG 4.33Å; F250-L264 HydrophobicContact CG-CD1 4.13Å; F250-L264 HydrophobicContact CZ-CD1 3.65Å; F250-L264 HydrophobicContact CZ-CD2 3.66Å; F250-L264 HydrophobicContact CZ-CG 4.33Å
251S91.6Very high93.5Very high49 Ų4924.7 Ų24.734%0.34311%0.113SC..Hα-helixtrans-66.8-32.5168-74.40000112.7S247S247-S251 VanDerWaalsContact O-CB 3.27Å; S247-S251 WeakPolarHBondContact O-CB 3.4Å; S247-S251 PolarHBondContact O-N 2.65Å; S247-S251 PolarHBondContact O-OG 2.64Å
252S91.1Very high93.3Very high7 Ų724.7 Ų24.75%0.04911%0.113CC..THydrogen-bonded Turntrans-90.90.2177.5-53.60000114.1Q248 T249 F250 H254 I267 Y310Q248-S252 PolarHBondContact O-N 3.49Å; Q248-S252 PolarHBondContact O-OG 2.93Å; T249-S252 PolarHBondContact O-N 2.8Å; F250-S252 VanDerWaalsContact C-N 3.32Å; S252-H254 PolarHBondContact O-CE1 3.06Å; S252-H254 PolarHBondContact O-ND1 2.75Å; S252-I267 WeakPolarHBondContact O-CD1 3.33Å; S252-Y310 PolarHBondContact O-OH 3.25Å
253L90.8Very high93.2Very high5 Ų524.5 Ų24.53%0.02611%0.112CC..  trans-77.5126.2-175.8-171.874.3000111.6R148 T249 F250 F260 E263 L264 I267R148-L253 PolarHBondContact NH1-O 2.87Å; T249-L253 PolarHBondContact O-N 3.26Å; F250-L253 HydrophobicContact CD1-CD2 3.8Å; F250-L253 HydrophobicContact CE1-CD2 4Å; F250-L253 PolarHBondContact O-N 2.72Å; L253-F260 HydrophobicContact CD1-CB 4.37Å; L253-F260 HydrophobicContact CD2-CB 4.35Å; L253-F260 HydrophobicContact CD2-CD2 4.35Å; L253-E263 HydrophobicContact CD1-CB 4.09Å; L253-E263 HydrophobicContact CD1-CG 4.37Å; L253-E263 WeakPolarHBondContact CD1-OE2 3.38Å; L253-L264 HydrophobicContact CD1-CB 4.18Å; L253-L264 HydrophobicContact CD1-CD1 4.26Å; L253-I267 HydrophobicContact CB-CD1 4.47Å; L253-I267 HydrophobicContact CD1-CD1 4.22Å
254H89.8Confident93.1Very high49 Ų4923.9 Ų23.923%0.22711%0.11CC..  trans-105.1-30.9-179.9-59.282.9000113.3M34 S252 E263 Y310 W315M34-H254 HydrophobicContact CE-CB 4.27Å; M34-H254 WeakPolarHBondContact CE-O 3.41Å; S252-H254 PolarHBondContact O-CE1 3.06Å; S252-H254 PolarHBondContact O-ND1 2.75Å; H254-E263 WeakPolarHBondContact CB-OE1 3.21Å; H254-E263 IonicContact CG-OE1 3.77Å; H254-E263 PolarHBondContact N-OE1 3.29Å; H254-E263 PolarHBondContact N-OE2 2.92Å; H254-E263 IonicContact ND1-OE1 2.65Å; H254-E263 PolarHBondContact ND1-OE1 3.47Å; H254-Y310 PolarHBondContact CE1-OH 3.39Å; H254-Y310 AromaticContact ND1-CZ 3.96Å; H254-Y310 PolarHBondContact ND1-OH 3.46Å; H254-Y310 VanDerWaalsContact ND1-OH 3.09Å; H254-W315 HydrophobicContact CB-CD2 4.12Å; H254-W315 HydrophobicContact CB-CE3 4.31Å; H254-W315 HydrophobicContact CB-CH2 3.72Å; H254-W315 HydrophobicContact CB-CZ2 3.49Å; H254-W315 VanDerWaalsContact CB-CZ2 3.49Å; H254-W315 HydrophobicContact CB-CZ3 4.11Å; H254-W315 AromaticContact CD2-CD1 3.67Å; H254-W315 AromaticContact CD2-CE2 3.82Å; H254-W315 AromaticContact CD2-CG 3.91Å; H254-W315 AromaticContact CD2-NE1 3.6Å; H254-W315 AromaticContact CE1-CG 3.84Å; H254-W315 AromaticContact CG-CD2 3.72Å; H254-W315 AromaticContact CG-CE2 3.63Å; H254-W315 AromaticContact CG-CZ2 3.98Å; H254-W315 AromaticContact CG-NE1 3.92Å; H254-W315 AromaticContact ND1-CD2 3.79Å; H254-W315 AromaticContact ND1-CE3 3.97Å; H254-W315 AromaticContact ND1-CG 3.97Å; H254-W315 AromaticContact NE2-CD1 3.72Å; H254-W315 AromaticContact NE2-CG 3.77Å
255V89.8Confident93.1Very high14 Ų1421.2 Ų21.29%0.08510%0.097CC..  trans-90.5119.7-177.9178.90000109.4A259 F260 E263 I306 W315V255-A259 HydrophobicContact CG1-CB 4.15Å; V255-F260 HydrophobicContact CG1-CB 4.4Å; V255-F260 WeakPolarHBondContact O-CB 3.39Å; V255-E263 WeakPolarHBondContact CA-OE2 3.46Å; V255-E263 WeakPolarHBondContact CB-OE2 3.46Å; V255-E263 VanDerWaalsContact CG2-OE2 3.27Å; V255-E263 WeakPolarHBondContact CG2-OE2 3.5Å; V255-E263 PolarHBondContact N-OE2 2.96Å; V255-I306 HydrophobicContact CG2-CD1 4.27Å; V255-I306 HydrophobicContact CG2-CG1 4.12Å; V255-W315 HydrophobicContact CG2-CH2 3.94Å
256E88.9Confident93.1Very high31 Ų3122.2 Ų22.215%0.14510%0.101CC..  trans-97.2-6.4179.5-65.4-170128.100113.9G142 K143 G144 G145 R148G142-E256 CarbonylContact C-O 3.57Å; G142-E256 WeakPolarHBondContact CA-O 3.46Å; K143-E256 PolarHBondContact N-O 3.24Å; G144-E256 VanDerWaalsContact CA-O 3.3Å; G144-E256 WeakPolarHBondContact CA-O 3.45Å; G144-E256 PolarHBondContact N-O 3.01Å; G145-E256 PolarHBondContact N-O 3.49Å; G145-E256 VanDerWaalsContact N-O 3.09Å; R148-E256 IonicContact CZ-OE1 2.78Å; R148-E256 IonicContact NE-OE1 2.99Å; R148-E256 IonicContact NH2-OE1 3.14Å; R148-E256 PolarHBondContact NH2-OE1 3.27Å
257R88.7Confident93Very high135 Ų13522.2 Ų22.251%0.50910%0.101SC..SBendtrans-110.6-156.2-174.9-65.1-170.6173.9-120.2-7.7111.6A259 F260R257-A259 VanDerWaalsContact C-N 3.26Å; R257-A259 PolarHBondContact O-N 3.01Å; R257-F260 VanDerWaalsContact O-CB 3.29Å; R257-F260 WeakPolarHBondContact O-CB 3.44Å; R257-F260 WeakPolarHBondContact O-CD1 3.18Å; R257-F260 PolarHBondContact O-N 3.14Å
258W83.4Confident93Very high124 Ų12421.6 Ų21.647%0.4710%0.097SC..THydrogen-bonded Turntrans-52.6-29.4-166.6-59.8111000117M299W258-M299 HydrophobicContact CB-CG 3.9Å; W258-M299 HydrophobicContact CB-SD 3.85Å
259A91.2Very high93.1Very high2 Ų224.1 Ų24.12%0.01711%0.109CC..THydrogen-bonded Turntrans-88.43179.500000114.2V255 R257 D261 V262 E263 D302 I306V255-A259 HydrophobicContact CG1-CB 4.15Å; R257-A259 VanDerWaalsContact C-N 3.26Å; R257-A259 PolarHBondContact O-N 3.01Å; A259-D261 VanDerWaalsContact C-N 3.27Å; A259-D261 PolarHBondContact O-N 3.29Å; A259-V262 PolarHBondContact O-N 2.87Å; A259-V262 VanDerWaalsContact O-N 3.12Å; A259-E263 PolarHBondContact O-N 3.05Å; A259-E263 VanDerWaalsContact O-N 3.13Å; A259-D302 HydrophobicContact CB-CB 3.72Å; A259-I306 HydrophobicContact CB-CD1 4.21Å
260F93.3Very high93Very high1 Ų126.9 Ų26.90%0.00413%0.127CC..Hα-helixtrans-57.7-39.3-177.786.3-80.1000112.4K143 G144 I147 M161 L253 V255 R257 V262 E263 L264K143-F260 HydrophobicContact CB-CE1 4.25Å; K143-F260 HydrophobicContact CD-CE1 3.85Å; K143-F260 HydrophobicContact CD-CZ 4.32Å; K143-F260 HydrophobicContact CG-CE1 3.72Å; K143-F260 HydrophobicContact CG-CZ 4.12Å; G144-F260 VanDerWaalsContact CA-CG 3.43Å; I147-F260 HydrophobicContact CD1-CE1 4.07Å; I147-F260 HydrophobicContact CD1-CE2 3.5Å; I147-F260 VanDerWaalsContact CD1-CE2 3.5Å; I147-F260 HydrophobicContact CD1-CZ 3.22Å; M161-F260 HydrophobicContact CE-CZ 4.43Å; M161-F260 HydrophobicContact SD-CE2 4.04Å; M161-F260 HydrophobicContact SD-CZ 4.01Å; L253-F260 HydrophobicContact CD1-CB 4.37Å; L253-F260 HydrophobicContact CD2-CB 4.35Å; L253-F260 HydrophobicContact CD2-CD2 4.35Å; V255-F260 HydrophobicContact CG1-CB 4.4Å; V255-F260 WeakPolarHBondContact O-CB 3.39Å; R257-F260 VanDerWaalsContact O-CB 3.29Å; R257-F260 WeakPolarHBondContact O-CB 3.44Å; R257-F260 WeakPolarHBondContact O-CD1 3.18Å; R257-F260 PolarHBondContact O-N 3.14Å; F260-V262 VanDerWaalsContact C-N 3.26Å; F260-V262 PolarHBondContact O-N 3.32Å; F260-E263 PolarHBondContact O-N 3.24Å; F260-L264 VanDerWaalsContact O-CB 3.23Å; F260-L264 WeakPolarHBondContact O-CB 3.47Å; F260-L264 PolarHBondContact O-N 3.49Å
261D94.8Very high93Very high5 Ų528.9 Ų28.93%0.02714%0.136CC..Hα-helixtrans-60.3-38.2-179.9-81.1-59000112T234 K239 A259 L265T234-D261 WeakPolarHBondContact O-CB 3.49Å; K239-D261 IonicContact NZ-OD1 3.71Å; K239-D261 PolarHBondContact NZ-OD1 3.42Å; A259-D261 VanDerWaalsContact C-N 3.27Å; A259-D261 PolarHBondContact O-N 3.29Å; D261-L265 WeakPolarHBondContact O-CG 3.17Å; D261-L265 PolarHBondContact O-N 3.25Å
262V95.7Very high93.2Very high0 Ų035 Ų350%016%0.156CC..Hα-helixtrans-73.4-42.8179.1-1780000110.3V223 C227 V228 Q235 A259 F260 L264 L265 Y266 L303V223-V262 HydrophobicContact CG1-CG1 4Å; V223-V262 HydrophobicContact CG1-CG2 4.43Å; V223-V262 HydrophobicContact CG2-CG1 4.45Å; V223-V262 HydrophobicContact CG2-CG2 4.16Å; C227-V262 HydrophobicContact CB-CG1 3.5Å; C227-V262 VanDerWaalsContact CB-CG1 3.5Å; V228-V262 HydrophobicContact CG2-CG1 3.92Å; V228-V262 WeakPolarHBondContact CG2-O 3.37Å; Q235-V262 HydrophobicContact CG-CG2 4.5Å; A259-V262 PolarHBondContact O-N 2.87Å; A259-V262 VanDerWaalsContact O-N 3.12Å; F260-V262 VanDerWaalsContact C-N 3.26Å; F260-V262 PolarHBondContact O-N 3.32Å; V262-L264 VanDerWaalsContact C-N 3.35Å; V262-L265 PolarHBondContact O-N 3.42Å; V262-Y266 WeakPolarHBondContact O-CB 3.49Å; V262-Y266 PolarHBondContact O-N 2.8Å; V262-L303 HydrophobicContact CB-CD2 3.92Å; V262-L303 HydrophobicContact CG1-CD2 3.52Å; V262-L303 HydrophobicContact CG2-CD2 4.11Å
263E95.4Very high93.5Very high0 Ų035 Ų350%016%0.156CC..Hα-helixtrans-62.4-43.1174.3-164.1-162.3172.700111.5L253 H254 V255 A259 F260 L265 Y266 I267 I306 Y310L253-E263 HydrophobicContact CD1-CB 4.09Å; L253-E263 HydrophobicContact CD1-CG 4.37Å; L253-E263 WeakPolarHBondContact CD1-OE2 3.38Å; H254-E263 WeakPolarHBondContact CB-OE1 3.21Å; H254-E263 IonicContact CG-OE1 3.77Å; H254-E263 PolarHBondContact N-OE1 3.29Å; H254-E263 PolarHBondContact N-OE2 2.92Å; H254-E263 IonicContact ND1-OE1 2.65Å; H254-E263 PolarHBondContact ND1-OE1 3.47Å; V255-E263 WeakPolarHBondContact CA-OE2 3.46Å; V255-E263 WeakPolarHBondContact CB-OE2 3.46Å; V255-E263 VanDerWaalsContact CG2-OE2 3.27Å; V255-E263 WeakPolarHBondContact CG2-OE2 3.5Å; V255-E263 PolarHBondContact N-OE2 2.96Å; A259-E263 PolarHBondContact O-N 3.05Å; A259-E263 VanDerWaalsContact O-N 3.13Å; F260-E263 PolarHBondContact O-N 3.24Å; E263-L265 VanDerWaalsContact C-N 3.33Å; E263-L265 PolarHBondContact O-N 3.06Å; E263-Y266 WeakPolarHBondContact O-CA 3.3Å; E263-Y266 VanDerWaalsContact O-CB 3.32Å; E263-Y266 WeakPolarHBondContact O-CB 3.32Å; E263-Y266 PolarHBondContact O-N 3.01Å; E263-Y266 VanDerWaalsContact O-N 3.1Å; E263-I267 HydrophobicContact CG-CD1 3.9Å; E263-I267 HydrophobicContact CG-CG1 4.33Å; E263-I267 WeakPolarHBondContact O-CB 3.46Å; E263-I267 WeakPolarHBondContact O-CD1 3.4Å; E263-I267 VanDerWaalsContact O-CG1 3.24Å; E263-I267 WeakPolarHBondContact O-CG1 3.1Å; E263-I267 PolarHBondContact O-N 2.99Å; E263-I306 HydrophobicContact CB-CD1 3.87Å; E263-I306 HydrophobicContact CB-CG1 4.22Å; E263-I306 HydrophobicContact CG-CD1 4.38Å; E263-I306 HydrophobicContact CG-CG1 4.17Å; E263-I306 HydrophobicContact CG-CG2 4.2Å; E263-Y310 HydrophobicContact CG-CE2 3.87Å; E263-Y310 PolarHBondContact OE1-OH 3.5Å
264L96.7Very high93.9Very high0 Ų036.3 Ų36.30%016%0.164CC..Hα-helixtrans-57-46.8179.7-172.177.5000111.5F241 T249 F250 L253 F260 V262 I267 A268F241-L264 HydrophobicContact CE1-CD2 3.74Å; F241-L264 HydrophobicContact CE1-CG 4.47Å; F241-L264 HydrophobicContact CZ-CD2 3.57Å; T249-L264 WeakPolarHBondContact OG1-CD1 3.21Å; F250-L264 HydrophobicContact CD1-CD1 4.22Å; F250-L264 HydrophobicContact CD2-CD1 3.79Å; F250-L264 HydrophobicContact CE1-CD1 4Å; F250-L264 HydrophobicContact CE2-CD1 3.52Å; F250-L264 HydrophobicContact CE2-CD2 3.85Å; F250-L264 HydrophobicContact CE2-CG 4.33Å; F250-L264 HydrophobicContact CG-CD1 4.13Å; F250-L264 HydrophobicContact CZ-CD1 3.65Å; F250-L264 HydrophobicContact CZ-CD2 3.66Å; F250-L264 HydrophobicContact CZ-CG 4.33Å; L253-L264 HydrophobicContact CD1-CB 4.18Å; L253-L264 HydrophobicContact CD1-CD1 4.26Å; F260-L264 VanDerWaalsContact O-CB 3.23Å; F260-L264 WeakPolarHBondContact O-CB 3.47Å; F260-L264 PolarHBondContact O-N 3.49Å; V262-L264 VanDerWaalsContact C-N 3.35Å; L264-I267 PolarHBondContact O-N 3.16Å; L264-A268 WeakPolarHBondContact O-CB 3.43Å; L264-A268 PolarHBondContact O-N 3.42Å
265L97.6Very high94.3Very high0 Ų035.8 Ų35.80%016%0.163CC..Hα-helixtrans-72.5-31.9177.4-64.3176.1000112V228 I231 T234 D261 V262 E263 A268 Q269 I275V228-L265 HydrophobicContact CG1-CB 4.02Å; V228-L265 HydrophobicContact CG2-CB 3.77Å; I231-L265 HydrophobicContact CD1-CB 4.42Å; I231-L265 HydrophobicContact CD1-CD1 3.96Å; I231-L265 HydrophobicContact CD1-CD2 4.14Å; I231-L265 HydrophobicContact CD1-CG 4.4Å; I231-L265 HydrophobicContact CG2-CD1 4.31Å; T234-L265 HydrophobicContact CG2-CD1 3.88Å; D261-L265 WeakPolarHBondContact O-CG 3.17Å; D261-L265 PolarHBondContact O-N 3.25Å; V262-L265 PolarHBondContact O-N 3.42Å; E263-L265 VanDerWaalsContact C-N 3.33Å; E263-L265 PolarHBondContact O-N 3.06Å; L265-A268 PolarHBondContact O-N 3.35Å; L265-Q269 WeakPolarHBondContact O-CG 3.23Å; L265-Q269 PolarHBondContact O-N 3.35Å; L265-I275 HydrophobicContact CD2-CD1 4.04Å; L265-I275 HydrophobicContact CD2-CG2 4.47Å
266Y96.8Very high94.7Very high21 Ų2135.8 Ų35.88%0.08217%0.165CC..Hα-helixtrans-61.2-48.8171.5-176.8-94.8000111.3C227 V262 E263 A268 Q269 C270 I306 R307 Y310C227-Y266 HydrophobicContact CB-CD2 4.05Å; C227-Y266 WeakPolarHBondContact O-CD2 3.14Å; V262-Y266 WeakPolarHBondContact O-CB 3.49Å; V262-Y266 PolarHBondContact O-N 2.8Å; E263-Y266 WeakPolarHBondContact O-CA 3.3Å; E263-Y266 VanDerWaalsContact O-CB 3.32Å; E263-Y266 WeakPolarHBondContact O-CB 3.32Å; E263-Y266 PolarHBondContact O-N 3.01Å; E263-Y266 VanDerWaalsContact O-N 3.1Å; Y266-A268 VanDerWaalsContact C-N 3.32Å; Y266-A268 PolarHBondContact O-N 3.2Å; Y266-Q269 PolarHBondContact O-N 3.38Å; Y266-C270 VanDerWaalsContact CE1-SG 3.6Å; Y266-C270 PolarHBondContact O-N 3.49Å; Y266-C270 PolarHBondContact O-SG 3.4Å; Y266-C270 VanDerWaalsContact O-SG 3.34Å; Y266-I306 HydrophobicContact CD1-CG2 4.34Å; Y266-I306 HydrophobicContact CG-CG2 4.36Å; Y266-R307 PolarHBondContact OH-NH1 3.4Å; Y266-Y310 AromaticContact CD1-CD2 3.54Å; Y266-Y310 HydrophobicContact CD1-CD2 3.54Å; Y266-Y310 AromaticContact CD1-CE2 3.83Å; Y266-Y310 HydrophobicContact CD1-CE2 3.83Å; Y266-Y310 HydrophobicContact CD1-CG 4.13Å; Y266-Y310 HydrophobicContact CE1-CD1 4.37Å; Y266-Y310 AromaticContact CE1-CD2 3.35Å; Y266-Y310 HydrophobicContact CE1-CD2 3.35Å; Y266-Y310 HydrophobicContact CE1-CE2 4.11Å; Y266-Y310 AromaticContact CE1-CG 3.53Å; Y266-Y310 HydrophobicContact CE1-CG 3.53Å
267I95.8Very high95.1Very high0 Ų037.2 Ų37.20%017%0.171CC..Hα-helixtrans-57-47.2174.8-69161000110.2T249 S252 L253 E263 L264 Q269 C270 F271 Y310 L317T249-I267 HydrophobicContact CG2-CG2 4.2Å; S252-I267 WeakPolarHBondContact O-CD1 3.33Å; L253-I267 HydrophobicContact CB-CD1 4.47Å; L253-I267 HydrophobicContact CD1-CD1 4.22Å; E263-I267 HydrophobicContact CG-CD1 3.9Å; E263-I267 HydrophobicContact CG-CG1 4.33Å; E263-I267 WeakPolarHBondContact O-CB 3.46Å; E263-I267 WeakPolarHBondContact O-CD1 3.4Å; E263-I267 VanDerWaalsContact O-CG1 3.24Å; E263-I267 WeakPolarHBondContact O-CG1 3.1Å; E263-I267 PolarHBondContact O-N 2.99Å; L264-I267 PolarHBondContact O-N 3.16Å; I267-Q269 VanDerWaalsContact C-N 3.31Å; I267-Q269 PolarHBondContact O-N 2.98Å; I267-C270 WeakPolarHBondContact O-CB 3.33Å; I267-C270 PolarHBondContact O-N 3.47Å; I267-C270 VanDerWaalsContact O-N 3.14Å; I267-F271 HydrophobicContact CG2-CD2 3.64Å; I267-F271 HydrophobicContact CG2-CE2 3.55Å; I267-F271 VanDerWaalsContact O-CD2 3.31Å; I267-F271 WeakPolarHBondContact O-CD2 3.32Å; I267-F271 PolarHBondContact O-N 3.34Å; I267-Y310 WeakPolarHBondContact CD1-OH 3.28Å; I267-Y310 HydrophobicContact CG1-CE2 4.42Å; I267-Y310 VanDerWaalsContact CG1-OH 3.3Å; I267-Y310 WeakPolarHBondContact CG1-OH 3.18Å; I267-L317 HydrophobicContact CB-CD2 4.46Å; I267-L317 HydrophobicContact CG1-CD2 4.08Å; I267-L317 HydrophobicContact CG2-CD2 4.04Å
268A96.9Very high95.5Very high0 Ų032.4 Ų32.40%016%0.155CC..Hα-helixtrans-59-41.2178.300000112.3I192 T249 L264 L265 Y266 F271 K272 I273 I275I192-A268 HydrophobicContact CD1-CB 3.6Å; T249-A268 HydrophobicContact CG2-CB 4.07Å; L264-A268 WeakPolarHBondContact O-CB 3.43Å; L264-A268 PolarHBondContact O-N 3.42Å; L265-A268 PolarHBondContact O-N 3.35Å; Y266-A268 VanDerWaalsContact C-N 3.32Å; Y266-A268 PolarHBondContact O-N 3.2Å; A268-F271 CarbonylContact O-C 3.59Å; A268-F271 PolarHBondContact O-N 2.95Å; A268-K272 PolarHBondContact O-N 3.11Å; A268-K272 VanDerWaalsContact O-N 3.09Å; A268-I273 HydrophobicContact CB-CB 4.25Å; A268-I273 HydrophobicContact CB-CD1 4.31Å; A268-I273 PolarHBondContact O-N 2.9Å; A268-I275 HydrophobicContact CB-CD1 3.79Å
269Q96.1Very high96.1Very high64 Ų6429 Ų2930%0.29915%0.154SC..Hα-helixtrans-66.2-38.4174.8-72.8-170.9-14.100112.8K229 L265 Y266 I267 F271 K272 I275K229-Q269 PolarHBondContact O-NE2 3.5Å; L265-Q269 WeakPolarHBondContact O-CG 3.23Å; L265-Q269 PolarHBondContact O-N 3.35Å; Y266-Q269 PolarHBondContact O-N 3.38Å; I267-Q269 VanDerWaalsContact C-N 3.31Å; I267-Q269 PolarHBondContact O-N 2.98Å; Q269-F271 VanDerWaalsContact C-N 3.31Å; Q269-F271 PolarHBondContact O-N 2.93Å; Q269-K272 PolarHBondContact O-N 3.49Å; Q269-I275 HydrophobicContact CG-CD1 4.37Å
270C94.4Very high96.3Very high57 Ų5729 Ų2939%0.38515%0.153SC..Hα-helixtrans-63.2-37.4174.4-670000112.4Y266 I267 K272 L317Y266-C270 VanDerWaalsContact CE1-SG 3.6Å; Y266-C270 PolarHBondContact O-N 3.49Å; Y266-C270 PolarHBondContact O-SG 3.4Å; Y266-C270 VanDerWaalsContact O-SG 3.34Å; I267-C270 WeakPolarHBondContact O-CB 3.33Å; I267-C270 PolarHBondContact O-N 3.47Å; I267-C270 VanDerWaalsContact O-N 3.14Å; C270-K272 PolarHBondContact O-N 3.49Å; C270-L317 HydrophobicContact CB-CD1 3.18Å
271F94.7Very high96.3Very high43 Ų4333 Ų3319%0.18918%0.175CC..THydrogen-bonded Turntrans-79.40.1172.8-72.8-59.4000114.1Q248 I267 A268 Q269 I273 L317Q248-F271 HydrophobicContact CG-CD1 4.45Å; Q248-F271 HydrophobicContact CG-CD2 3.81Å; Q248-F271 HydrophobicContact CG-CE1 4.34Å; Q248-F271 HydrophobicContact CG-CE2 3.66Å; Q248-F271 HydrophobicContact CG-CG 4.22Å; Q248-F271 HydrophobicContact CG-CZ 3.96Å; I267-F271 HydrophobicContact CG2-CD2 3.64Å; I267-F271 HydrophobicContact CG2-CE2 3.55Å; I267-F271 VanDerWaalsContact O-CD2 3.31Å; I267-F271 WeakPolarHBondContact O-CD2 3.32Å; I267-F271 PolarHBondContact O-N 3.34Å; A268-F271 CarbonylContact O-C 3.59Å; A268-F271 PolarHBondContact O-N 2.95Å; Q269-F271 VanDerWaalsContact C-N 3.31Å; Q269-F271 PolarHBondContact O-N 2.93Å; F271-I273 HydrophobicContact CB-CD1 4.03Å; F271-I273 HydrophobicContact CB-CG1 3.8Å; F271-I273 PolarHBondContact O-N 2.71Å; F271-L317 HydrophobicContact CE1-CB 4.22Å; F271-L317 HydrophobicContact CE2-CB 4.4Å; F271-L317 HydrophobicContact CE2-CD2 4.07Å; F271-L317 HydrophobicContact CZ-CB 3.77Å; F271-L317 HydrophobicContact CZ-CD2 4.27Å; F271-L317 HydrophobicContact CZ-CG 4.46Å
272K96.1Very high96.1Very high176 Ų17635.9 Ų35.977%0.76519%0.185SC*.THydrogen-bonded Turntrans55.433.7-176.3-53.3178.4-179177.40112.8A268 Q269 C270A268-K272 PolarHBondContact O-N 3.11Å; A268-K272 VanDerWaalsContact O-N 3.09Å; Q269-K272 PolarHBondContact O-N 3.49Å; C270-K272 PolarHBondContact O-N 3.49Å
273I97.6Very high95.6Very high9 Ų938.9 Ų38.95%0.04620%0.204CC..  trans-70.2128.1174.5-58.9176.2000107.5M190 I192 A245 T249 A268 F271 I275M190-I273 HydrophobicContact CB-CB 4.49Å; M190-I273 HydrophobicContact CB-CD1 4.18Å; M190-I273 HydrophobicContact CB-CG1 3.95Å; M190-I273 HydrophobicContact CB-CG2 3.93Å; M190-I273 HydrophobicContact CE-CD1 4.38Å; M190-I273 HydrophobicContact CE-CG1 4.03Å; M190-I273 HydrophobicContact SD-CD1 3.68Å; M190-I273 HydrophobicContact SD-CG1 3.93Å; I192-I273 HydrophobicContact CD1-CG2 4.09Å; I192-I273 HydrophobicContact CG1-CG2 3.89Å; A245-I273 HydrophobicContact CB-CD1 4.25Å; A245-I273 HydrophobicContact CB-CG2 4.28Å; T249-I273 HydrophobicContact CG2-CD1 3.77Å; A268-I273 HydrophobicContact CB-CB 4.25Å; A268-I273 HydrophobicContact CB-CD1 4.31Å; A268-I273 PolarHBondContact O-N 2.9Å; F271-I273 HydrophobicContact CB-CD1 4.03Å; F271-I273 HydrophobicContact CB-CG1 3.8Å; F271-I273 PolarHBondContact O-N 2.71Å; I273-I275 WeakPolarHBondContact O-CG1 3.49Å
274P97.9Very high94.9Very high31 Ų3144.5 Ų44.520%0.20123%0.23CC..  trans-66137175.327.8-35000110.8L183 M190 A191 I192L183-P274 HydrophobicContact CB-CB 4.17Å; L183-P274 HydrophobicContact CB-CG 4.41Å; L183-P274 HydrophobicContact CD1-CB 4.16Å; L183-P274 HydrophobicContact CD2-CB 4.18Å; L183-P274 HydrophobicContact CG-CB 4.4Å; M190-P274 VanDerWaalsContact O-CD 3.3Å; M190-P274 WeakPolarHBondContact O-CD 3.32Å; M190-P274 WeakPolarHBondContact O-CG 3.49Å; A191-P274 HydrophobicContact CB-CG 4.1Å; I192-P274 PolarHBondContact N-O 3.19Å
275I98.3Very high94.1Very high38 Ų3846.8 Ų46.820%0.19524%0.242CC..EExtended strand (participates in β ladder)trans-129.5124.5-176.2-47.1177.8000109.7I192 I231 L265 A268 Q269 I273I192-I275 HydrophobicContact CB-CG1 4.28Å; I192-I275 HydrophobicContact CB-CG2 4.21Å; I192-I275 HydrophobicContact CG2-CG2 4.25Å; I192-I275 CarbonylContact O-C 3.48Å; I192-I275 VanDerWaalsContact O-CA 3.26Å; I192-I275 WeakPolarHBondContact O-CA 3.31Å; I231-I275 HydrophobicContact CD1-CB 4.15Å; I231-I275 HydrophobicContact CD1-CD1 3.8Å; I231-I275 HydrophobicContact CD1-CG2 3.69Å; L265-I275 HydrophobicContact CD2-CD1 4.04Å; L265-I275 HydrophobicContact CD2-CG2 4.47Å; A268-I275 HydrophobicContact CB-CD1 3.79Å; Q269-I275 HydrophobicContact CG-CD1 4.37Å; I273-I275 WeakPolarHBondContact O-CG1 3.49Å
276A97.9Very high92.7Very high15 Ų1555.7 Ų55.712%0.12428%0.284CS..EExtended strand (participates in β ladder)trans-98.9141.2172.100000109.9L183 I192 A193 C194 I278L183-A276 HydrophobicContact CD1-CB 3.79Å; L183-A276 HydrophobicContact CD2-CB 4.19Å; L183-A276 HydrophobicContact CG-CB 4.08Å; I192-A276 PolarHBondContact O-N 2.93Å; A193-A276 HydrophobicContact CB-CB 4.44Å; C194-A276 PolarHBondContact N-O 3.2Å; A276-I278 HydrophobicContact CB-CD1 4.12Å; A276-I278 HydrophobicContact CB-CG1 4.35Å
277E97.4Very high91Very high61 Ų6157.8 Ų57.829%0.28531%0.312SS..EExtended strand (participates in β ladder)trans-109.7118.8171.9-172.3176.1-176.100109.3C194 S196 R232 D233C194-E277 CarbonylContact O-C 3.58Å; C194-E277 WeakPolarHBondContact O-CA 3.4Å; S196-E277 VanDerWaalsContact CB-CG 3.42Å; S196-E277 WeakPolarHBondContact CB-OE1 3.3Å; S196-E277 PolarHBondContact OG-OE1 2.98Å; R232-E277 WeakPolarHBondContact CB-OE1 3.22Å; R232-E277 PolarHBondContact N-OE1 3.32Å; R232-E277 PolarHBondContact N-OE2 2.79Å; D233-E277 PolarHBondContact N-OE1 2.95Å
278I97.5Very high89.1Confident34 Ų3461.1 Ų61.117%0.17434%0.335CS..EExtended strand (participates in β ladder)trans-122.8127.3-167.7-54.9-60.5000110K175 L176 C194 G195 S196 A276 V280K175-I278 HydrophobicContact CB-CG2 3.68Å; L176-I278 HydrophobicContact CD2-CB 3.68Å; L176-I278 HydrophobicContact CD2-CG1 3.94Å; L176-I278 HydrophobicContact CD2-CG2 4.06Å; C194-I278 PolarHBondContact O-N 2.9Å; G195-I278 CarbonylContact C-O 3.57Å; G195-I278 WeakPolarHBondContact CA-O 3.45Å; S196-I278 PolarHBondContact N-O 3.31Å; A276-I278 HydrophobicContact CB-CD1 4.12Å; A276-I278 HydrophobicContact CB-CG1 4.35Å; I278-V280 PolarHBondContact O-N 2.72Å
279A96.4Very high87.2Confident53 Ų5366.1 Ų66.144%0.43836%0.356SS..EExtended strand (participates in β ladder)trans-65.4125.4176.200000111.6
280V95.4Very high85Confident1 Ų170.3 Ų70.31%0.00638%0.38CS..  trans-118.9145.8-179.8-620000111.8T168 D172 L176 S196 H199 F238 I278 W282T168-V280 HydrophobicContact CG2-CB 3.9Å; T168-V280 HydrophobicContact CG2-CG2 3.93Å; D172-V280 HydrophobicContact CB-CB 4.33Å; D172-V280 HydrophobicContact CB-CG1 4.11Å; L176-V280 HydrophobicContact CD2-CG1 4.47Å; S196-V280 PolarHBondContact O-N 2.68Å; H199-V280 PolarHBondContact CE1-O 2.94Å; F238-V280 HydrophobicContact CD1-CG1 4.13Å; I278-V280 PolarHBondContact O-N 2.72Å; V280-W282 PolarHBondContact O-N 3.42Å
281N92.4Very high83.4Confident86 Ų8670.9 Ų70.946%0.4638%0.381SS..  trans-69.3111171.9-62-79.5000108.6T168 K169 D172 K175T168-N281 WeakPolarHBondContact CA-O 3.17Å; K169-N281 HydrophobicContact CB-CB 4.31Å; K169-N281 HydrophobicContact CG-CB 3.99Å; K169-N281 PolarHBondContact N-O 3.3Å; D172-N281 VanDerWaalsContact CG-ND2 3.33Å; D172-N281 PolarHBondContact OD1-ND2 2.88Å; D172-N281 WeakPolarHBondContact OD2-CA 3.45Å; D172-N281 VanDerWaalsContact OD2-CB 3.25Å; D172-N281 WeakPolarHBondContact OD2-CB 3.37Å; D172-N281 PolarHBondContact OD2-N 2.89Å; D172-N281 PolarHBondContact OD2-ND2 3.31Å; K175-N281 PolarHBondContact NZ-ND2 3.37Å
282W91.2Very high82Confident64 Ų6472.3 Ų72.324%0.24240%0.395CS..BIsolated β-bridgetrans-127.9135.8-177.5-174.492.3000110.4A167 R197 L200 V280 E284A167-W282 HydrophobicContact CB-CZ2 4.33Å; A167-W282 VanDerWaalsContact CB-NE1 3.29Å; A167-W282 CarbonylContact O-C 3.55Å; A167-W282 VanDerWaalsContact O-CA 3.29Å; A167-W282 WeakPolarHBondContact O-CA 3.26Å; R197-W282 HydrophobicContact CG-CB 3.86Å; R197-W282 HydrophobicContact CG-CD2 4.1Å; R197-W282 HydrophobicContact CG-CG 3.7Å; L200-W282 HydrophobicContact CD1-CB 3.91Å; L200-W282 HydrophobicContact CD1-CE3 4.26Å; V280-W282 PolarHBondContact O-N 3.42Å; W282-E284 VanDerWaalsContact CH2-CA 3.46Å; W282-E284 HydrophobicContact CH2-CB 3.73Å; W282-E284 HydrophobicContact CH2-CG 4.04Å; W282-E284 HydrophobicContact CZ3-CB 3.76Å; W282-E284 HydrophobicContact CZ3-CG 4.48Å
283T85.9Confident80.8Confident63 Ų6370 Ų7039%0.38739%0.385SS..  trans-123.5138.917752.60000110.4A167 I285A167-T283 WeakPolarHBondContact CB-O 3.41Å; A167-T283 PolarHBondContact O-N 2.91Å; A167-T283 PolarHBondContact O-OG1 3.19Å; T283-I285 PolarHBondContact O-N 3.07Å
284E80.4Confident79.7Confident119 Ų11978.9 Ų78.956%0.55642%0.418SS*.PPolyproline II helixtrans-68.5124.5175.6-168.8158.6-165.100109.9W282W282-E284 VanDerWaalsContact CH2-CA 3.46Å; W282-E284 HydrophobicContact CH2-CB 3.73Å; W282-E284 HydrophobicContact CH2-CG 4.04Å; W282-E284 HydrophobicContact CZ3-CB 3.76Å; W282-E284 HydrophobicContact CZ3-CG 4.48Å
285I80.6Confident78.6Confident48 Ų4878.7 Ų78.725%0.24642%0.418CS..PPolyproline II helixtrans-102.5122.3179-56-61.2000108.7D165 A167 T283 S288D165-I285 HydrophobicContact CB-CG2 4.49Å; A167-I285 HydrophobicContact CB-CG1 3.79Å; T283-I285 PolarHBondContact O-N 3.07Å; I285-S288 PolarHBondContact O-N 3.49Å
286E66.8Low77.5Confident187 Ų18780.4 Ų80.487%0.87442%0.422SS*.THydrogen-bonded Turntrans-59.8148175.9-70-172.4171.300111.8S288E286-S288 VanDerWaalsContact C-N 3.35Å
287G61.6Low76.8Confident65 Ų6584.2 Ų84.267%0.6744%0.44SS*.THydrogen-bonded Turntrans84.36.7-175.500000114.6K289G287-K289 PolarHBondContact O-N 3.07Å
288S56.4Low76.2Confident69 Ų6985 Ų8548%0.48344%0.443SS..  trans-48.7115.7160.2151.20000108.9I285 E286 L290I285-S288 PolarHBondContact O-N 3.49Å; E286-S288 VanDerWaalsContact C-N 3.35Å; S288-L290 PolarHBondContact O-N 3.15Å
289K55.9Low75.6Confident106 Ų10684 Ų8446%0.46144%0.438SS..  trans-52.3109.9178.2-68174.5-174.2160.50107.6Y74 G287 V291Y74-K289 PolarHBondContact O-NZ 2.65Å; Y74-K289 VanDerWaalsContact O-NZ 3.1Å; G287-K289 PolarHBondContact O-N 3.07Å; K289-V291 PolarHBondContact O-N 3.15Å
290L50.6Low75.2Confident152 Ų15282.6 Ų82.680%0.79643%0.429SS*.  trans-53.2114.3174.3-76.2170.1000107S288 P292S288-L290 PolarHBondContact O-N 3.15Å; L290-P292 WeakPolarHBondContact O-CD 3.3Å
291V60Low74.9Confident68 Ų6887 Ų8741%0.41245%0.448SS..  trans-63.3111.3-179.3-178.60000106.3K289K289-V291 PolarHBondContact O-N 3.15Å
292P65.4Low74.8Confident74 Ų7484 Ų8448%0.48143%0.432SS..  trans-58.9150-179.3-22.734.1000109.6L290 W294 S295L290-P292 WeakPolarHBondContact O-CD 3.3Å; P292-W294 PolarHBondContact O-N 3.17Å; P292-S295 WeakPolarHBondContact O-CA 3.39Å; P292-S295 WeakPolarHBondContact O-CB 3.35Å; P292-S295 PolarHBondContact O-N 3.29Å
293F72.4Confident74.9Confident126 Ų12681 Ų8155%0.55342%0.421SS*.Hα-helixtrans-47.5-38.6177.5175.7-102.2000112.9S295 W296 L297F293-S295 VanDerWaalsContact C-N 3.31Å; F293-S295 PolarHBondContact O-N 3.39Å; F293-W296 WeakPolarHBondContact O-CB 3.4Å; F293-W296 PolarHBondContact O-N 2.79Å; F293-L297 HydrophobicContact CD1-CD1 4.2Å; F293-L297 HydrophobicContact CE1-CD1 3.56Å; F293-L297 HydrophobicContact CE1-CG 4.12Å; F293-L297 HydrophobicContact CZ-CD1 4.08Å; F293-L297 HydrophobicContact CZ-CG 4.26Å; F293-L297 PolarHBondContact O-N 3.3Å
294W74.3Confident75.2Confident196 Ų19680.4 Ų80.474%0.74242%0.415SS*.Hα-helixtrans-60.1-34.7175.6-59.1111.7000114.5P292 W296 L297 Q298P292-W294 PolarHBondContact O-N 3.17Å; W294-W296 PolarHBondContact O-N 2.9Å; W294-L297 HydrophobicContact CE3-CD1 4.14Å; W294-L297 HydrophobicContact CZ3-CD1 4.26Å; W294-L297 PolarHBondContact O-N 3.32Å; W294-Q298 VanDerWaalsContact O-CB 3.3Å; W294-Q298 WeakPolarHBondContact O-CB 3.34Å; W294-Q298 PolarHBondContact O-N 3.16Å
295S74.1Confident75.8Confident28 Ų2876.2 Ų76.220%0.19640%0.395CS..Hα-helixtrans-69.1-27.1176.7-66.30000111.7P292 F293 M299P292-S295 WeakPolarHBondContact O-CA 3.39Å; P292-S295 WeakPolarHBondContact O-CB 3.35Å; P292-S295 PolarHBondContact O-N 3.29Å; F293-S295 VanDerWaalsContact C-N 3.31Å; F293-S295 PolarHBondContact O-N 3.39Å; S295-M299 WeakPolarHBondContact O-CB 3.43Å; S295-M299 PolarHBondContact O-N 3.47Å
296W75.9Confident76.4Confident73 Ų7373.9 Ų73.928%0.27738%0.383SS..Hα-helixtrans-71.7-46.6176.2-126.587.3000111.9L215 F219 F293 W294 Q298 M299 G300L215-W296 VanDerWaalsContact C-CH2 3.47Å; L215-W296 HydrophobicContact CB-CH2 3.74Å; L215-W296 HydrophobicContact CB-CZ2 3.75Å; L215-W296 HydrophobicContact CB-CZ3 4.39Å; L215-W296 HydrophobicContact CD2-CE3 4.42Å; L215-W296 HydrophobicContact CD2-CH2 4.23Å; L215-W296 HydrophobicContact CD2-CZ3 4.04Å; L215-W296 WeakPolarHBondContact O-CH2 3.25Å; F219-W296 HydrophobicContact CB-CH2 3.48Å; F219-W296 VanDerWaalsContact CB-CH2 3.48Å; F219-W296 HydrophobicContact CB-CZ2 3.71Å; F219-W296 HydrophobicContact CB-CZ3 4.4Å; F219-W296 HydrophobicContact CD2-CH2 4.4Å; F219-W296 HydrophobicContact CG-CH2 4.31Å; F219-W296 HydrophobicContact CG-CZ2 4.33Å; F293-W296 WeakPolarHBondContact O-CB 3.4Å; F293-W296 PolarHBondContact O-N 2.79Å; W294-W296 PolarHBondContact O-N 2.9Å; W296-Q298 VanDerWaalsContact C-N 3.31Å; W296-Q298 PolarHBondContact O-N 2.69Å; W296-M299 PolarHBondContact O-N 2.88Å; W296-G300 PolarHBondContact O-N 3.4Å
297L82.6Confident77.7Confident95 Ų9569.3 Ų69.350%0.49736%0.358SS..Hα-helixtrans-61.1-41.4171.3-71.4176.2000111.8F293 W294 G300 K301F293-L297 HydrophobicContact CD1-CD1 4.2Å; F293-L297 HydrophobicContact CE1-CD1 3.56Å; F293-L297 HydrophobicContact CE1-CG 4.12Å; F293-L297 HydrophobicContact CZ-CD1 4.08Å; F293-L297 HydrophobicContact CZ-CG 4.26Å; F293-L297 PolarHBondContact O-N 3.3Å; W294-L297 HydrophobicContact CE3-CD1 4.14Å; W294-L297 HydrophobicContact CZ3-CD1 4.26Å; W294-L297 PolarHBondContact O-N 3.32Å; L297-G300 PolarHBondContact O-N 2.9Å; L297-K301 PolarHBondContact O-N 2.92Å
298Q84.6Confident79.1Confident77 Ų7766.5 Ų66.536%0.3633%0.327SS..Hα-helixtrans-61.1-43.9176.2179.956.638.100111.4W294 W296 K301 D302W294-Q298 VanDerWaalsContact O-CB 3.3Å; W294-Q298 WeakPolarHBondContact O-CB 3.34Å; W294-Q298 PolarHBondContact O-N 3.16Å; W296-Q298 VanDerWaalsContact C-N 3.31Å; W296-Q298 PolarHBondContact O-N 2.69Å; Q298-K301 WeakPolarHBondContact O-CB 3.3Å; Q298-K301 PolarHBondContact O-N 3.43Å; Q298-D302 PolarHBondContact NE2-OD1 3.3Å; Q298-D302 PolarHBondContact NE2-OD2 3.48Å; Q298-D302 WeakPolarHBondContact O-CB 3.44Å; Q298-D302 PolarHBondContact O-N 2.93Å
299M84.1Confident80.8Confident14 Ų1464.2 Ų64.27%0.06931%0.308CS..Hα-helixtrans-60.8-45.5173.8-89.5172.255.800112.3F219 Q235 W258 S295 W296 K301 D302 L303F219-M299 HydrophobicContact CD2-CE 4Å; F219-M299 HydrophobicContact CE1-CE 3.84Å; F219-M299 HydrophobicContact CE2-CB 4.26Å; F219-M299 HydrophobicContact CE2-CE 3.19Å; F219-M299 HydrophobicContact CZ-CE 3.11Å; Q235-M299 VanDerWaalsContact NE2-CE 3.26Å; W258-M299 HydrophobicContact CB-CG 3.9Å; W258-M299 HydrophobicContact CB-SD 3.85Å; S295-M299 WeakPolarHBondContact O-CB 3.43Å; S295-M299 PolarHBondContact O-N 3.47Å; W296-M299 PolarHBondContact O-N 2.88Å; M299-K301 VanDerWaalsContact C-N 3.32Å; M299-K301 PolarHBondContact O-N 2.98Å; M299-D302 PolarHBondContact O-N 3.33Å; M299-D302 VanDerWaalsContact O-N 3.14Å; M299-L303 WeakPolarHBondContact O-CG 3.46Å; M299-L303 PolarHBondContact O-N 2.91Å
300G88.9Confident82.5Confident23 Ų2360.3 Ų60.324%0.23729%0.291CS..Hα-helixtrans-59.2-42.3176.200000112.7W296 L297 L303 L304W296-G300 PolarHBondContact O-N 3.4Å; L297-G300 PolarHBondContact O-N 2.9Å; G300-L303 PolarHBondContact O-N 3.48Å; G300-L304 PolarHBondContact O-N 2.93Å
301K89.4Confident84.4Confident93 Ų9358.7 Ų58.740%0.40428%0.28SS..Hα-helixtrans-61-44.7173-169.8-170.683.8-166.90111.5L297 Q298 M299 L303 L304 F305L297-K301 PolarHBondContact O-N 2.92Å; Q298-K301 WeakPolarHBondContact O-CB 3.3Å; Q298-K301 PolarHBondContact O-N 3.43Å; M299-K301 VanDerWaalsContact C-N 3.32Å; M299-K301 PolarHBondContact O-N 2.98Å; K301-L303 PolarHBondContact O-N 2.91Å; K301-L304 PolarHBondContact O-N 3.44Å; K301-F305 HydrophobicContact CG-CD1 4.09Å; K301-F305 HydrophobicContact CG-CE1 3.98Å; K301-F305 HydrophobicContact CG-CZ 4.44Å; K301-F305 WeakPolarHBondContact O-CB 3.39Å; K301-F305 VanDerWaalsContact O-CD1 3.28Å; K301-F305 WeakPolarHBondContact O-CD1 3.44Å; K301-F305 PolarHBondContact O-N 2.92Å
302D90.6Very high85.7Confident25 Ų2558 Ų5813%0.13428%0.276CS..Hα-helixtrans-63.3-41.1-179.7-68.8-22.9000111.2A259 Q298 M299 L304 F305 I306A259-D302 HydrophobicContact CB-CB 3.72Å; Q298-D302 PolarHBondContact NE2-OD1 3.3Å; Q298-D302 PolarHBondContact NE2-OD2 3.48Å; Q298-D302 WeakPolarHBondContact O-CB 3.44Å; Q298-D302 PolarHBondContact O-N 2.93Å; M299-D302 PolarHBondContact O-N 3.33Å; M299-D302 VanDerWaalsContact O-N 3.14Å; D302-L304 PolarHBondContact O-N 3.29Å; D302-F305 PolarHBondContact O-N 3.37Å; D302-I306 WeakPolarHBondContact O-CB 3.41Å; D302-I306 WeakPolarHBondContact O-CD1 3.18Å; D302-I306 WeakPolarHBondContact O-CG1 3.3Å; D302-I306 PolarHBondContact O-N 2.93Å
303L92.9Very high86.7Confident0 Ų056 Ų560%027%0.27CS..Hα-helixtrans-59.4-47.1174.3-67-177.2000112.6F219 L222 V223 L226 V262 M299 G300 K301 F305 I306 R307F219-L303 HydrophobicContact CD2-CD1 4.17Å; F219-L303 HydrophobicContact CE2-CD1 3.55Å; F219-L303 HydrophobicContact CE2-CG 4.35Å; F219-L303 HydrophobicContact CZ-CD1 4.11Å; L222-L303 HydrophobicContact CB-CD1 3.91Å; V223-L303 HydrophobicContact CG2-CD1 3.7Å; V223-L303 HydrophobicContact CG2-CD2 4.14Å; L226-L303 HydrophobicContact CD1-CB 4.13Å; V262-L303 HydrophobicContact CB-CD2 3.92Å; V262-L303 HydrophobicContact CG1-CD2 3.52Å; V262-L303 HydrophobicContact CG2-CD2 4.11Å; M299-L303 WeakPolarHBondContact O-CG 3.46Å; M299-L303 PolarHBondContact O-N 2.91Å; G300-L303 PolarHBondContact O-N 3.48Å; K301-L303 PolarHBondContact O-N 2.91Å; L303-F305 VanDerWaalsContact C-N 3.31Å; L303-F305 PolarHBondContact O-N 3.41Å; L303-I306 PolarHBondContact O-N 3.35Å; L303-R307 PolarHBondContact O-N 3.45Å; L303-R307 VanDerWaalsContact O-N 3.11Å
304L92.6Very high87.5Confident51 Ų5151.1 Ų51.127%0.26725%0.252SS..Hα-helixtrans-61.6-42.9177.2-178.962000111I23 L226 G300 K301 D302 R307 L308I23-L304 HydrophobicContact CG2-CD2 4.04Å; L226-L304 HydrophobicContact CD1-CB 4.48Å; L226-L304 HydrophobicContact CD2-CD1 4.47Å; G300-L304 PolarHBondContact O-N 2.93Å; K301-L304 PolarHBondContact O-N 3.44Å; D302-L304 PolarHBondContact O-N 3.29Å; L304-R307 PolarHBondContact O-N 3.31Å; L304-L308 HydrophobicContact CD1-CD1 3.98Å; L304-L308 HydrophobicContact CD1-CG 4.15Å; L304-L308 HydrophobicContact CG-CD1 3.89Å; L304-L308 HydrophobicContact CG-CG 4.4Å; L304-L308 WeakPolarHBondContact O-CB 3.36Å; L304-L308 WeakPolarHBondContact O-CG 3.35Å; L304-L308 PolarHBondContact O-N 2.93Å
305F92.3Very high88.2Confident30 Ų3042.1 Ų42.113%0.13222%0.218CC..Hα-helixtrans-70.2-37.4-179-83.741.4000111.8I23 V26 A27 K301 D302 L303 R307 L308 R309I23-F305 HydrophobicContact CG2-CE1 4.22Å; V26-F305 HydrophobicContact CG1-CZ 4.47Å; A27-F305 HydrophobicContact CB-CD2 4.41Å; A27-F305 HydrophobicContact CB-CE2 4.44Å; A27-F305 HydrophobicContact CB-CG 4.48Å; K301-F305 HydrophobicContact CG-CD1 4.09Å; K301-F305 HydrophobicContact CG-CE1 3.98Å; K301-F305 HydrophobicContact CG-CZ 4.44Å; K301-F305 WeakPolarHBondContact O-CB 3.39Å; K301-F305 VanDerWaalsContact O-CD1 3.28Å; K301-F305 WeakPolarHBondContact O-CD1 3.44Å; K301-F305 PolarHBondContact O-N 2.92Å; D302-F305 PolarHBondContact O-N 3.37Å; L303-F305 VanDerWaalsContact C-N 3.31Å; L303-F305 PolarHBondContact O-N 3.41Å; F305-R307 VanDerWaalsContact C-N 3.34Å; F305-R307 PolarHBondContact O-N 2.92Å; F305-L308 PolarHBondContact O-N 2.89Å; F305-R309 WeakPolarHBondContact O-CB 3.49Å; F305-R309 WeakPolarHBondContact O-CD 3.35Å; F305-R309 WeakPolarHBondContact O-CG 3.42Å; F305-R309 PolarHBondContact O-N 3.19Å
306I92.7Very high88.6Confident0 Ų049.7 Ų49.70%024%0.243CC..Hα-helixtrans-54.1-54.2170.7-72.3160.1000109.1V255 A259 E263 Y266 D302 L303 L308 R309 Y310 W315V255-I306 HydrophobicContact CG2-CD1 4.27Å; V255-I306 HydrophobicContact CG2-CG1 4.12Å; A259-I306 HydrophobicContact CB-CD1 4.21Å; E263-I306 HydrophobicContact CB-CD1 3.87Å; E263-I306 HydrophobicContact CB-CG1 4.22Å; E263-I306 HydrophobicContact CG-CD1 4.38Å; E263-I306 HydrophobicContact CG-CG1 4.17Å; E263-I306 HydrophobicContact CG-CG2 4.2Å; Y266-I306 HydrophobicContact CD1-CG2 4.34Å; Y266-I306 HydrophobicContact CG-CG2 4.36Å; D302-I306 WeakPolarHBondContact O-CB 3.41Å; D302-I306 WeakPolarHBondContact O-CD1 3.18Å; D302-I306 WeakPolarHBondContact O-CG1 3.3Å; D302-I306 PolarHBondContact O-N 2.93Å; L303-I306 PolarHBondContact O-N 3.35Å; I306-L308 PolarHBondContact O-N 3.47Å; I306-R309 PolarHBondContact O-N 2.84Å; I306-Y310 HydrophobicContact CG2-CD2 4.02Å; I306-Y310 HydrophobicContact CG2-CE2 4.15Å; I306-Y310 VanDerWaalsContact O-CD2 3.27Å; I306-Y310 WeakPolarHBondContact O-CD2 3.3Å; I306-Y310 PolarHBondContact O-N 2.98Å; I306-W315 HydrophobicContact CB-CZ3 4.31Å; I306-W315 HydrophobicContact CG1-CH2 4.42Å; I306-W315 HydrophobicContact CG1-CZ3 3.93Å
307R93.5Very high89Confident90 Ų9049 Ų4934%0.3424%0.244SC..Hα-helixtrans-60-51.9-178.8-18048.7166.4-161.63.6112.2L226 Y266 L303 L304 F305 R309 M311L226-R307 HydrophobicContact CB-CB 4.16Å; L226-R307 HydrophobicContact CB-CG 4.47Å; L226-R307 HydrophobicContact CD2-CB 4.49Å; L226-R307 HydrophobicContact CD2-CG 4.31Å; L226-R307 WeakPolarHBondContact O-CB 3.44Å; L226-R307 WeakPolarHBondContact O-CD 3.49Å; L226-R307 WeakPolarHBondContact O-CG 3.44Å; Y266-R307 PolarHBondContact OH-NH1 3.4Å; L303-R307 PolarHBondContact O-N 3.45Å; L303-R307 VanDerWaalsContact O-N 3.11Å; L304-R307 PolarHBondContact O-N 3.31Å; F305-R307 VanDerWaalsContact C-N 3.34Å; F305-R307 PolarHBondContact O-N 2.92Å; R307-R309 PolarHBondContact O-N 3.49Å; R307-M311 WeakPolarHBondContact O-CB 3.47Å; R307-M311 PolarHBondContact O-N 2.94Å
308L92.3Very high88.7Confident7 Ų751.3 Ų51.34%0.03725%0.252CS..Hα-helixtrans-64.8-40.3-176.6-68.4177000112.3I23 A27 L304 F305 I306 M311 T312I23-L308 HydrophobicContact CG2-CD1 3.68Å; A27-L308 HydrophobicContact CB-CB 4.06Å; A27-L308 HydrophobicContact CB-CD1 4.3Å; L304-L308 HydrophobicContact CD1-CD1 3.98Å; L304-L308 HydrophobicContact CD1-CG 4.15Å; L304-L308 HydrophobicContact CG-CD1 3.89Å; L304-L308 HydrophobicContact CG-CG 4.4Å; L304-L308 WeakPolarHBondContact O-CB 3.36Å; L304-L308 WeakPolarHBondContact O-CG 3.35Å; L304-L308 PolarHBondContact O-N 2.93Å; F305-L308 PolarHBondContact O-N 2.89Å; I306-L308 PolarHBondContact O-N 3.47Å; L308-M311 HydrophobicContact CD2-CE 3.97Å; L308-M311 PolarHBondContact O-N 3.14Å; L308-T312 WeakPolarHBondContact O-CB 3.37Å; L308-T312 VanDerWaalsContact O-CG2 3.23Å; L308-T312 WeakPolarHBondContact O-CG2 3.33Å; L308-T312 PolarHBondContact O-N 3.4Å; L308-T312 PolarHBondContact O-OG1 2.88Å
309R92.3Very high87.9Confident21 Ų2153.7 Ų53.78%0.07926%0.263CS..Hα-helixtrans-71.4-38.8-176-69.5174.5170.5171.7-9.1112.9A27 T30 A31 F305 I306 R307 T312 G313 A314 W315A27-R309 HydrophobicContact CB-CG 4.17Å; A27-R309 PolarHBondContact O-NE 2.99Å; A27-R309 VanDerWaalsContact O-NE 3.07Å; T30-R309 PolarHBondContact OG1-NH2 2.97Å; A31-R309 HydrophobicContact CB-CG 3.93Å; F305-R309 WeakPolarHBondContact O-CB 3.49Å; F305-R309 WeakPolarHBondContact O-CD 3.35Å; F305-R309 WeakPolarHBondContact O-CG 3.42Å; F305-R309 PolarHBondContact O-N 3.19Å; I306-R309 PolarHBondContact O-N 2.84Å; R307-R309 PolarHBondContact O-N 3.49Å; R309-T312 PolarHBondContact O-OG1 3.44Å; R309-G313 PolarHBondContact O-N 2.9Å; R309-A314 HydrophobicContact CB-CB 4.27Å; R309-A314 PolarHBondContact O-N 3.42Å; R309-W315 HydrophobicContact CB-CB 4.27Å; R309-W315 HydrophobicContact CB-CD2 3.49Å; R309-W315 VanDerWaalsContact CB-CD2 3.49Å; R309-W315 HydrophobicContact CB-CE3 3.69Å; R309-W315 HydrophobicContact CB-CG 3.73Å; R309-W315 HydrophobicContact CB-CZ3 4.34Å; R309-W315 HydrophobicContact CG-CD2 4.29Å; R309-W315 PolarHBondContact O-N 2.9Å
310Y91.1Very high86.9Confident23 Ų2355.2 Ų55.29%0.0927%0.273CS..Hα-helixtrans-69.5-41.8170.9-77.6-65.9000111.9S252 H254 E263 Y266 I267 I306 T312 G313 W315 L317S252-Y310 PolarHBondContact O-OH 3.25Å; H254-Y310 PolarHBondContact CE1-OH 3.39Å; H254-Y310 AromaticContact ND1-CZ 3.96Å; H254-Y310 PolarHBondContact ND1-OH 3.46Å; H254-Y310 VanDerWaalsContact ND1-OH 3.09Å; E263-Y310 HydrophobicContact CG-CE2 3.87Å; E263-Y310 PolarHBondContact OE1-OH 3.5Å; Y266-Y310 AromaticContact CD1-CD2 3.54Å; Y266-Y310 HydrophobicContact CD1-CD2 3.54Å; Y266-Y310 AromaticContact CD1-CE2 3.83Å; Y266-Y310 HydrophobicContact CD1-CE2 3.83Å; Y266-Y310 HydrophobicContact CD1-CG 4.13Å; Y266-Y310 HydrophobicContact CE1-CD1 4.37Å; Y266-Y310 AromaticContact CE1-CD2 3.35Å; Y266-Y310 HydrophobicContact CE1-CD2 3.35Å; Y266-Y310 HydrophobicContact CE1-CE2 4.11Å; Y266-Y310 AromaticContact CE1-CG 3.53Å; Y266-Y310 HydrophobicContact CE1-CG 3.53Å; I267-Y310 WeakPolarHBondContact CD1-OH 3.28Å; I267-Y310 HydrophobicContact CG1-CE2 4.42Å; I267-Y310 VanDerWaalsContact CG1-OH 3.3Å; I267-Y310 WeakPolarHBondContact CG1-OH 3.18Å; I306-Y310 HydrophobicContact CG2-CD2 4.02Å; I306-Y310 HydrophobicContact CG2-CE2 4.15Å; I306-Y310 VanDerWaalsContact O-CD2 3.27Å; I306-Y310 WeakPolarHBondContact O-CD2 3.3Å; I306-Y310 PolarHBondContact O-N 2.98Å; Y310-T312 VanDerWaalsContact C-N 3.34Å; Y310-T312 PolarHBondContact O-N 3.38Å; Y310-G313 PolarHBondContact O-N 3.49Å; Y310-G313 VanDerWaalsContact O-N 3.16Å; Y310-W315 HydrophobicContact CD1-CB 3.79Å; Y310-W315 AromaticContact CD2-CE3 3.79Å; Y310-W315 HydrophobicContact CD2-CE3 3.79Å; Y310-W315 HydrophobicContact CD2-CZ3 4.45Å; Y310-W315 HydrophobicContact CE1-CB 3.73Å; Y310-W315 AromaticContact CE2-CE3 3.46Å; Y310-W315 HydrophobicContact CE2-CE3 3.46Å; Y310-W315 VanDerWaalsContact CE2-CE3 3.46Å; Y310-W315 AromaticContact CE2-CZ3 4Å; Y310-W315 HydrophobicContact CE2-CZ3 4Å; Y310-W315 HydrophobicContact CG-CB 4.26Å; Y310-W315 HydrophobicContact CG-CE3 4.43Å; Y310-W315 AromaticContact CZ-CE3 3.85Å; Y310-L317 HydrophobicContact CD1-CD2 4.29Å; Y310-L317 HydrophobicContact CD1-CG 4.25Å; Y310-L317 HydrophobicContact CE1-CD2 3.52Å; Y310-L317 HydrophobicContact CE1-CG 3.94Å
311M89.8Confident85.2Confident118 Ų11865 Ų6558%0.58130%0.303SS*.Hα-helixtrans-66.5-34.2-178.1-169177.974.800112.9R307 L308 G313R307-M311 WeakPolarHBondContact O-CB 3.47Å; R307-M311 PolarHBondContact O-N 2.94Å; L308-M311 HydrophobicContact CD2-CE 3.97Å; L308-M311 PolarHBondContact O-N 3.14Å; M311-G313 VanDerWaalsContact C-N 3.31Å
312T88.6Confident83.2Confident54 Ų5467.8 Ų67.833%0.33132%0.315SS..THydrogen-bonded Turntrans-84.1-4176.455.60000113.4L308 R309 Y310 A314L308-T312 WeakPolarHBondContact O-CB 3.37Å; L308-T312 VanDerWaalsContact O-CG2 3.23Å; L308-T312 WeakPolarHBondContact O-CG2 3.33Å; L308-T312 PolarHBondContact O-N 3.4Å; L308-T312 PolarHBondContact O-OG1 2.88Å; R309-T312 PolarHBondContact O-OG1 3.44Å; Y310-T312 VanDerWaalsContact C-N 3.34Å; Y310-T312 PolarHBondContact O-N 3.38Å; T312-A314 PolarHBondContact O-N 2.96Å
313G86.6Confident80.7Confident33 Ų3375 Ų7534%0.3435%0.35SS..THydrogen-bonded Turntrans70.211.7-175.200000114.5R309 Y310 M311 W315R309-G313 PolarHBondContact O-N 2.9Å; Y310-G313 PolarHBondContact O-N 3.49Å; Y310-G313 VanDerWaalsContact O-N 3.16Å; M311-G313 VanDerWaalsContact C-N 3.31Å; G313-W315 VanDerWaalsContact C-N 3.27Å
314A87.5Confident77.7Confident22 Ų2285.4 Ų85.418%0.18241%0.406CS..SBendtrans-64.1-37.2172.800000111.1F28 A31 R309 T312F28-A314 HydrophobicContact CB-CB 4.46Å; F28-A314 HydrophobicContact CD2-CB 3.46Å; F28-A314 VanDerWaalsContact CD2-CB 3.46Å; F28-A314 HydrophobicContact CE2-CB 3.87Å; F28-A314 HydrophobicContact CG-CB 4.12Å; A31-A314 HydrophobicContact CB-CB 3.63Å; R309-A314 HydrophobicContact CB-CB 4.27Å; R309-A314 PolarHBondContact O-N 3.42Å; T312-A314 PolarHBondContact O-N 2.96Å
315W89.3Confident77Confident8 Ų887.1 Ų87.13%0.0341%0.413CS..SBendtrans-103127.7166.7-69.9-14.1000109.2M34 H254 V255 I306 R309 Y310 G313M34-W315 HydrophobicContact CE-CZ2 4.06Å; M34-W315 HydrophobicContact CG-CZ2 4.27Å; M34-W315 HydrophobicContact SD-CZ2 4.49Å; H254-W315 HydrophobicContact CB-CD2 4.12Å; H254-W315 HydrophobicContact CB-CE3 4.31Å; H254-W315 HydrophobicContact CB-CH2 3.72Å; H254-W315 HydrophobicContact CB-CZ2 3.49Å; H254-W315 VanDerWaalsContact CB-CZ2 3.49Å; H254-W315 HydrophobicContact CB-CZ3 4.11Å; H254-W315 AromaticContact CD2-CD1 3.67Å; H254-W315 AromaticContact CD2-CE2 3.82Å; H254-W315 AromaticContact CD2-CG 3.91Å; H254-W315 AromaticContact CD2-NE1 3.6Å; H254-W315 AromaticContact CE1-CG 3.84Å; H254-W315 AromaticContact CG-CD2 3.72Å; H254-W315 AromaticContact CG-CE2 3.63Å; H254-W315 AromaticContact CG-CZ2 3.98Å; H254-W315 AromaticContact CG-NE1 3.92Å; H254-W315 AromaticContact ND1-CD2 3.79Å; H254-W315 AromaticContact ND1-CE3 3.97Å; H254-W315 AromaticContact ND1-CG 3.97Å; H254-W315 AromaticContact NE2-CD1 3.72Å; H254-W315 AromaticContact NE2-CG 3.77Å; V255-W315 HydrophobicContact CG2-CH2 3.94Å; I306-W315 HydrophobicContact CB-CZ3 4.31Å; I306-W315 HydrophobicContact CG1-CH2 4.42Å; I306-W315 HydrophobicContact CG1-CZ3 3.93Å; R309-W315 HydrophobicContact CB-CB 4.27Å; R309-W315 HydrophobicContact CB-CD2 3.49Å; R309-W315 VanDerWaalsContact CB-CD2 3.49Å; R309-W315 HydrophobicContact CB-CE3 3.69Å; R309-W315 HydrophobicContact CB-CG 3.73Å; R309-W315 HydrophobicContact CB-CZ3 4.34Å; R309-W315 HydrophobicContact CG-CD2 4.29Å; R309-W315 PolarHBondContact O-N 2.9Å; Y310-W315 HydrophobicContact CD1-CB 3.79Å; Y310-W315 AromaticContact CD2-CE3 3.79Å; Y310-W315 HydrophobicContact CD2-CE3 3.79Å; Y310-W315 HydrophobicContact CD2-CZ3 4.45Å; Y310-W315 HydrophobicContact CE1-CB 3.73Å; Y310-W315 AromaticContact CE2-CE3 3.46Å; Y310-W315 HydrophobicContact CE2-CE3 3.46Å; Y310-W315 VanDerWaalsContact CE2-CE3 3.46Å; Y310-W315 AromaticContact CE2-CZ3 4Å; Y310-W315 HydrophobicContact CE2-CZ3 4Å; Y310-W315 HydrophobicContact CG-CB 4.26Å; Y310-W315 HydrophobicContact CG-CE3 4.43Å; Y310-W315 AromaticContact CZ-CE3 3.85Å; G313-W315 VanDerWaalsContact C-N 3.27Å
316R83.5Confident76.2Confident187 Ų18790.1 Ų90.171%0.70643%0.427SS*.  trans-110.6140.1-177.3-63.6-176.6-179-172.1-0.3109.5
317L84.4Confident75.3Confident57 Ų5795.1 Ų95.130%0.29845%0.451SS..  trans-92.1102.7171.8-64.4176000107.3I267 C270 F271 Y310I267-L317 HydrophobicContact CB-CD2 4.46Å; I267-L317 HydrophobicContact CG1-CD2 4.08Å; I267-L317 HydrophobicContact CG2-CD2 4.04Å; C270-L317 HydrophobicContact CB-CD1 3.18Å; F271-L317 HydrophobicContact CE1-CB 4.22Å; F271-L317 HydrophobicContact CE2-CB 4.4Å; F271-L317 HydrophobicContact CE2-CD2 4.07Å; F271-L317 HydrophobicContact CZ-CB 3.77Å; F271-L317 HydrophobicContact CZ-CD2 4.27Å; F271-L317 HydrophobicContact CZ-CG 4.46Å; Y310-L317 HydrophobicContact CD1-CD2 4.29Å; Y310-L317 HydrophobicContact CD1-CG 4.25Å; Y310-L317 HydrophobicContact CE1-CD2 3.52Å; Y310-L317 HydrophobicContact CE1-CG 3.94Å
318E75Confident74.2Confident145 Ų14595.4 Ų95.468%0.67846%0.458SS*.  trans-94.4127.4172.5-68-174.2-179.700109Q248 T320Q248-E318 PolarHBondContact NE2-O 3.43Å; E318-T320 PolarHBondContact O-N 3.37Å
319Q68.8Low73.1Confident127 Ų127100.9 Ų100.959%0.59348%0.484SS*.  trans-70125.3171.4-163168.212.500107.8R321Q319-R321 PolarHBondContact O-N 2.95Å
320T63.6Low71.8Confident45 Ų45106.3 Ų106.328%0.27651%0.511SS..  trans-67.3108.7-176.4-16.20000108.1W60 Q248 E318 K322W60-T320 HydrophobicContact CH2-CG2 3.37Å; W60-T320 HydrophobicContact CZ2-CG2 4.05Å; W60-T320 HydrophobicContact CZ3-CG2 3.85Å; Q248-T320 PolarHBondContact OE1-OG1 3.33Å; E318-T320 PolarHBondContact O-N 3.37Å; T320-K322 PolarHBondContact O-N 3.43Å
321R52.3Low70.4Confident228 Ų228112.2 Ų112.286%0.8654%0.541SS*.  trans-63.5121.3170.1-74.6-178.3177.7176.3-0.7106.3Q319 M323Q319-R321 PolarHBondContact O-N 2.95Å; R321-M323 PolarHBondContact O-N 2.94Å
322K47.7Very low68.9Low153 Ų153111.8 Ų111.867%0.66554%0.538SS*.  trans-52.1115.5162.8-72.5-174176.8-175.20105.5T320 N324T320-K322 PolarHBondContact O-N 3.43Å; K322-N324 VanDerWaalsContact C-N 3.26Å; K322-N324 PolarHBondContact O-N 2.91Å
323M37.5Very low67.3Low175 Ų175116.6 Ų116.686%0.86256%0.555SS**  trans-67.3102164.7-62.8-165-42.600104R321R321-M323 PolarHBondContact O-N 2.94Å
324N31Very low65.5Low219 Ų219124.2 Ų124.2100%1.17158%0.575SS**  trans-61.50176.4-76.6-12.4000110.7K322K322-N324 VanDerWaalsContact C-N 3.26Å; K322-N324 PolarHBondContact O-N 2.91Å

Retrieved 324 of 324 residues in 227.2 ms (Link to these results)

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