G7P480_MACFA Loading...

1-acyl-sn-glycerol-3-phosphate acyltransferase delta

Converts 1-acyl-sn-glycerol-3-phosphate (lysophosphatidic acid or LPA) into 1,2-diacyl-sn-glycerol-3-phosphate (phosphatidic acid or PA) by incorporating an acyl moiety at the sn-2 position of the glycerol backbone. Exhibits high acyl-CoA specificity for polyunsaturated fatty acyl-CoA, especially docosahexaenoyl-CoA (22:6-CoA, DHA-CoA).

AlphaFold DB , UniProt , Accession G7P480, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene AGPAT4, Length 378 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
1M58.4Low79.7Confident189 Ų18988.4 Ų88.493%0.93147%0.466SS*.  0129.60-86.9-178-59.100107.2
2D76.4Confident80.2Confident111 Ų11191.3 Ų91.359%0.59448%0.481SS*.  trans-76.9171.8167.758.54.2000110.3A4 G5 L6D2-A4 PolarHBondContact O-N 3.24Å; D2-G5 PolarHBondContact O-N 3.31Å; D2-G5 VanDerWaalsContact O-N 3.12Å; D2-G5 PolarHBondContact OD1-N 3.39Å; D2-L6 PolarHBondContact O-N 3.16Å; D2-L6 VanDerWaalsContact O-N 3.07Å
3L77.3Confident80.9Confident133 Ų13387.4 Ų87.470%0.69647%0.465SS*.Hα-helixtrans-57.4-35.6179.6-176.663.8000111.9L6 L7L3-L6 PolarHBondContact O-N 3.47Å; L3-L7 HydrophobicContact CG-CD1 4.41Å; L3-L7 WeakPolarHBondContact O-CG 3.33Å; L3-L7 PolarHBondContact O-N 3.02Å
4A77.2Confident81.5Confident45 Ų4582.7 Ų82.737%0.37244%0.439SS..Hα-helixtrans-64.3-44.1176.100000111.9D2 L7 K8D2-A4 PolarHBondContact O-N 3.24Å; A4-L7 PolarHBondContact O-N 2.79Å; A4-K8 VanDerWaalsContact O-CG 3.27Å; A4-K8 WeakPolarHBondContact O-CG 3.44Å; A4-K8 PolarHBondContact O-N 3.27Å
5G77.9Confident82Confident14 Ų1479.8 Ų79.814%0.14442%0.423CS..Hα-helixtrans-61.1-42174.200000112.7D2 L7 K8 S9D2-G5 PolarHBondContact O-N 3.31Å; D2-G5 VanDerWaalsContact O-N 3.12Å; D2-G5 PolarHBondContact OD1-N 3.39Å; G5-L7 PolarHBondContact O-N 2.91Å; G5-K8 PolarHBondContact O-N 3.47Å; G5-S9 PolarHBondContact O-N 2.9Å; G5-S9 PolarHBondContact O-OG 3.22Å
6L81.1Confident82.7Confident84 Ų8477.6 Ų77.644%0.4441%0.414SS..Hα-helixtrans-62.4-42.8176.6-168.878.7000111.6D2 L3 S9 Q10D2-L6 PolarHBondContact O-N 3.16Å; D2-L6 VanDerWaalsContact O-N 3.07Å; L3-L6 PolarHBondContact O-N 3.47Å; L6-S9 PolarHBondContact O-N 3.06Å; L6-S9 PolarHBondContact O-OG 3.33Å; L6-Q10 WeakPolarHBondContact O-CG 3.28Å; L6-Q10 PolarHBondContact O-NE2 2.95Å
7L84.6Confident83.3Confident100 Ų10074.2 Ų74.252%0.52439%0.394SS..Hα-helixtrans-63.9-42.1175.9-73.2170.1000111.8L3 A4 G5 S9 Q10 C13L3-L7 HydrophobicContact CG-CD1 4.41Å; L3-L7 WeakPolarHBondContact O-CG 3.33Å; L3-L7 PolarHBondContact O-N 3.02Å; A4-L7 PolarHBondContact O-N 2.79Å; G5-L7 PolarHBondContact O-N 2.91Å; L7-S9 VanDerWaalsContact C-N 3.3Å; L7-S9 PolarHBondContact O-N 3.35Å; L7-Q10 VanDerWaalsContact O-CB 3.31Å; L7-Q10 WeakPolarHBondContact O-CB 3.08Å; L7-Q10 VanDerWaalsContact O-CG 3.26Å; L7-Q10 WeakPolarHBondContact O-CG 3.41Å; L7-Q10 PolarHBondContact O-N 3.1Å; L7-Q10 VanDerWaalsContact O-N 3.16Å; L7-C13 PolarHBondContact O-SG 3.24Å
8K85.5Confident83.8Confident57 Ų5771.3 Ų71.325%0.24838%0.381CS..Hα-helixtrans-64.4-34.1178.9-71.3178.9-177.9-178.30112.8A4 G5 Q10 H14 W68A4-K8 VanDerWaalsContact O-CG 3.27Å; A4-K8 WeakPolarHBondContact O-CG 3.44Å; A4-K8 PolarHBondContact O-N 3.27Å; G5-K8 PolarHBondContact O-N 3.47Å; K8-Q10 PolarHBondContact O-N 2.78Å; K8-H14 PolarHBondContact O-NE2 2.91Å; K8-H14 VanDerWaalsContact O-NE2 3.12Å; K8-W68 VanDerWaalsContact CA-CZ2 3.45Å; K8-W68 HydrophobicContact CB-CH2 4.05Å; K8-W68 HydrophobicContact CB-CZ2 3.5Å; K8-W68 VanDerWaalsContact CB-CZ2 3.5Å; K8-W68 HydrophobicContact CD-CD2 4.39Å; K8-W68 HydrophobicContact CD-CZ2 4.38Å; K8-W68 WeakPolarHBondContact CE-O 3.37Å; K8-W68 HydrophobicContact CG-CD2 4.31Å; K8-W68 HydrophobicContact CG-CE3 4.39Å; K8-W68 HydrophobicContact CG-CH2 3.64Å; K8-W68 HydrophobicContact CG-CZ2 3.51Å; K8-W68 HydrophobicContact CG-CZ3 4.08Å; K8-W68 PolarHBondContact NZ-O 2.81Å; K8-W68 WeakPolarHBondContact O-CZ2 3.47Å
9S84.2Confident84.3Confident39 Ų3970.6 Ų70.627%0.27337%0.373SS..THydrogen-bonded Turntrans-75.2-3.6176.966.90000114.7G5 L6 L7 F11G5-S9 PolarHBondContact O-N 2.9Å; G5-S9 PolarHBondContact O-OG 3.22Å; L6-S9 PolarHBondContact O-N 3.06Å; L6-S9 PolarHBondContact O-OG 3.33Å; L7-S9 VanDerWaalsContact C-N 3.3Å; L7-S9 PolarHBondContact O-N 3.35Å; S9-F11 PolarHBondContact O-N 2.8Å
10Q88.4Confident85Confident87 Ų8767.1 Ų67.141%0.40735%0.354SS..  trans-67.6134.1-177.7-63.9-56.9-45.100111L6 L7 K8 L12 C13 H14L6-Q10 WeakPolarHBondContact O-CG 3.28Å; L6-Q10 PolarHBondContact O-NE2 2.95Å; L7-Q10 VanDerWaalsContact O-CB 3.31Å; L7-Q10 WeakPolarHBondContact O-CB 3.08Å; L7-Q10 VanDerWaalsContact O-CG 3.26Å; L7-Q10 WeakPolarHBondContact O-CG 3.41Å; L7-Q10 PolarHBondContact O-N 3.1Å; L7-Q10 VanDerWaalsContact O-N 3.16Å; K8-Q10 PolarHBondContact O-N 2.78Å; Q10-L12 PolarHBondContact O-N 3.42Å; Q10-L12 VanDerWaalsContact O-N 3.13Å; Q10-C13 WeakPolarHBondContact O-CB 3.43Å; Q10-C13 PolarHBondContact O-N 2.85Å; Q10-H14 PolarHBondContact O-N 2.93Å
11F85.4Confident85.5Confident113 Ų11365 Ų6550%0.49634%0.342SS..Hα-helixtrans-54.6-36.4178.9178.8-114.8000112.5S9 C13 H14 L15S9-F11 PolarHBondContact O-N 2.8Å; F11-C13 PolarHBondContact O-N 3.42Å; F11-H14 WeakPolarHBondContact O-CB 3.32Å; F11-H14 PolarHBondContact O-N 2.92Å; F11-L15 HydrophobicContact CD1-CD1 3.89Å; F11-L15 HydrophobicContact CD1-CG 4.19Å; F11-L15 HydrophobicContact CE1-CD1 3.44Å; F11-L15 VanDerWaalsContact CE1-CD1 3.44Å; F11-L15 HydrophobicContact CE1-CD2 4.14Å; F11-L15 HydrophobicContact CE1-CG 3.82Å; F11-L15 HydrophobicContact CE2-CD2 4.12Å; F11-L15 HydrophobicContact CE2-CG 4.21Å; F11-L15 HydrophobicContact CZ-CD1 3.9Å; F11-L15 HydrophobicContact CZ-CD2 3.69Å; F11-L15 HydrophobicContact CZ-CG 3.82Å; F11-L15 WeakPolarHBondContact O-CG 3.47Å; F11-L15 PolarHBondContact O-N 3.32Å
12L86.1Confident87.3Confident123 Ų12357.8 Ų57.864%0.64431%0.307SS*.Hα-helixtrans-63-39.5177.7-173.662.4000112.6Q10 H14 L15 V16Q10-L12 PolarHBondContact O-N 3.42Å; Q10-L12 VanDerWaalsContact O-N 3.13Å; L12-H14 VanDerWaalsContact C-N 3.35Å; L12-L15 WeakPolarHBondContact O-CB 3.3Å; L12-L15 PolarHBondContact O-N 3.41Å; L12-V16 WeakPolarHBondContact O-CG2 3.5Å; L12-V16 PolarHBondContact O-N 2.79Å
13C89Confident88.3Confident41 Ų4153.3 Ų53.328%0.27729%0.286SS..Hα-helixtrans-63.2-43.8175.5-67.60000110.8L7 Q10 F11 L15 V16 F17 W68L7-C13 PolarHBondContact O-SG 3.24Å; Q10-C13 WeakPolarHBondContact O-CB 3.43Å; Q10-C13 PolarHBondContact O-N 2.85Å; F11-C13 PolarHBondContact O-N 3.42Å; C13-L15 VanDerWaalsContact C-N 3.32Å; C13-L15 PolarHBondContact O-N 2.95Å; C13-V16 PolarHBondContact O-N 3.49Å; C13-F17 WeakPolarHBondContact O-CD2 3.42Å; C13-F17 PolarHBondContact O-N 2.82Å; C13-F17 VanDerWaalsContact O-N 3.08Å; C13-W68 HydrophobicContact CB-CH2 3.99Å; C13-W68 HydrophobicContact CB-CZ2 4.14Å
14H89.9Confident89.3Confident22 Ų2247 Ų4710%0.10225%0.253CS..Hα-helixtrans-61.4-41.9176.1-56.9165.8000111.6K8 Q10 F11 L12 V16 F17 C18 L244 N245K8-H14 PolarHBondContact O-NE2 2.91Å; K8-H14 VanDerWaalsContact O-NE2 3.12Å; Q10-H14 PolarHBondContact O-N 2.93Å; F11-H14 WeakPolarHBondContact O-CB 3.32Å; F11-H14 PolarHBondContact O-N 2.92Å; L12-H14 VanDerWaalsContact C-N 3.35Å; H14-V16 VanDerWaalsContact C-N 3.32Å; H14-V16 PolarHBondContact O-N 2.95Å; H14-F17 PolarHBondContact O-N 2.91Å; H14-C18 WeakPolarHBondContact O-CB 3.45Å; H14-C18 PolarHBondContact O-N 3.02Å; H14-C18 PolarHBondContact O-SG 3.34Å; H14-L244 HydrophobicContact CB-CD1 4.48Å; H14-L244 HydrophobicContact CB-CD2 4.16Å; H14-L244 HydrophobicContact CB-CG 4.38Å; H14-L244 PolarHBondContact NE2-O 3.43Å; H14-N245 PolarHBondContact CE1-OD1 3.3Å; H14-N245 PolarHBondContact NE2-OD1 3.26Å
15L88.6Confident90.3Very high39 Ų3944.9 Ų44.920%0.20424%0.235CC..Hα-helixtrans-59.7-41.6175.8-74.5-177.9000112.1F11 L12 C13 C18 Y19F11-L15 HydrophobicContact CD1-CD1 3.89Å; F11-L15 HydrophobicContact CD1-CG 4.19Å; F11-L15 HydrophobicContact CE1-CD1 3.44Å; F11-L15 VanDerWaalsContact CE1-CD1 3.44Å; F11-L15 HydrophobicContact CE1-CD2 4.14Å; F11-L15 HydrophobicContact CE1-CG 3.82Å; F11-L15 HydrophobicContact CE2-CD2 4.12Å; F11-L15 HydrophobicContact CE2-CG 4.21Å; F11-L15 HydrophobicContact CZ-CD1 3.9Å; F11-L15 HydrophobicContact CZ-CD2 3.69Å; F11-L15 HydrophobicContact CZ-CG 3.82Å; F11-L15 WeakPolarHBondContact O-CG 3.47Å; F11-L15 PolarHBondContact O-N 3.32Å; L12-L15 WeakPolarHBondContact O-CB 3.3Å; L12-L15 PolarHBondContact O-N 3.41Å; C13-L15 VanDerWaalsContact C-N 3.32Å; C13-L15 PolarHBondContact O-N 2.95Å; L15-C18 PolarHBondContact O-N 3.08Å; L15-Y19 VanDerWaalsContact O-CB 3.26Å; L15-Y19 WeakPolarHBondContact O-CB 3.41Å; L15-Y19 PolarHBondContact O-N 3.44Å
16V92.6Very high91.2Very high44 Ų4447.8 Ų47.827%0.26725%0.247SC..Hα-helixtrans-61.7-48.5176171.40000110.8L12 C13 H14 C18 Y19 V20 L319L12-V16 WeakPolarHBondContact O-CG2 3.5Å; L12-V16 PolarHBondContact O-N 2.79Å; C13-V16 PolarHBondContact O-N 3.49Å; H14-V16 VanDerWaalsContact C-N 3.32Å; H14-V16 PolarHBondContact O-N 2.95Å; V16-C18 PolarHBondContact O-N 3.37Å; V16-Y19 PolarHBondContact O-N 3.06Å; V16-V20 HydrophobicContact CG1-CG2 4.38Å; V16-V20 VanDerWaalsContact O-CG2 3.29Å; V16-V20 WeakPolarHBondContact O-CG2 3.27Å; V16-V20 PolarHBondContact O-N 3.39Å; V16-L319 HydrophobicContact CG1-CD1 4.06Å; V16-L319 HydrophobicContact CG1-CD2 4.3Å
17F93.5Very high92Very high20 Ų2047.5 Ų47.59%0.08825%0.245CC..Hα-helixtrans-60.2-45.1176.3-77.5-67.4000112.6C13 H14 Y19 V20 F21 M63 L64 W68 L244 W311C13-F17 WeakPolarHBondContact O-CD2 3.42Å; C13-F17 PolarHBondContact O-N 2.82Å; C13-F17 VanDerWaalsContact O-N 3.08Å; H14-F17 PolarHBondContact O-N 2.91Å; F17-Y19 VanDerWaalsContact C-N 3.35Å; F17-Y19 PolarHBondContact O-N 2.83Å; F17-V20 PolarHBondContact O-N 2.75Å; F17-F21 VanDerWaalsContact O-CB 3.26Å; F17-F21 WeakPolarHBondContact O-CB 3.5Å; F17-F21 PolarHBondContact O-N 2.91Å; F17-M63 HydrophobicContact CD1-CE 4.15Å; F17-M63 HydrophobicContact CE1-CE 3.51Å; F17-M63 HydrophobicContact CZ-CE 4.49Å; F17-L64 HydrophobicContact CD1-CD1 4.14Å; F17-L64 HydrophobicContact CD2-CD1 4.33Å; F17-L64 HydrophobicContact CE1-CD1 4.22Å; F17-L64 HydrophobicContact CE2-CD1 4.39Å; F17-L64 HydrophobicContact CG-CD1 4.22Å; F17-L64 HydrophobicContact CZ-CD1 4.34Å; F17-W68 HydrophobicContact CD2-CZ2 4.45Å; F17-W68 AromaticContact CE2-CD2 3.58Å; F17-W68 HydrophobicContact CE2-CD2 3.58Å; F17-W68 AromaticContact CE2-CE2 3.57Å; F17-W68 AromaticContact CE2-CE3 3.64Å; F17-W68 HydrophobicContact CE2-CE3 3.64Å; F17-W68 HydrophobicContact CE2-CG 4.25Å; F17-W68 AromaticContact CE2-CH2 3.65Å; F17-W68 HydrophobicContact CE2-CH2 3.65Å; F17-W68 AromaticContact CE2-CZ2 3.59Å; F17-W68 HydrophobicContact CE2-CZ2 3.59Å; F17-W68 AromaticContact CE2-CZ3 3.68Å; F17-W68 HydrophobicContact CE2-CZ3 3.68Å; F17-W68 HydrophobicContact CZ-CB 4.48Å; F17-W68 AromaticContact CZ-CD2 3.61Å; F17-W68 HydrophobicContact CZ-CD2 3.61Å; F17-W68 AromaticContact CZ-CE3 3.44Å; F17-W68 HydrophobicContact CZ-CE3 3.44Å; F17-W68 VanDerWaalsContact CZ-CE3 3.44Å; F17-W68 HydrophobicContact CZ-CG 4.1Å; F17-W68 HydrophobicContact CZ-CH2 4.26Å; F17-W68 HydrophobicContact CZ-CZ2 4.4Å; F17-W68 AromaticContact CZ-CZ3 3.8Å; F17-W68 HydrophobicContact CZ-CZ3 3.8Å; F17-L244 HydrophobicContact CB-CD1 4.44Å; F17-L244 HydrophobicContact CD2-CD1 4.45Å; F17-W311 AromaticContact CD1-CE2 3.72Å; F17-W311 AromaticContact CD1-CZ2 3.61Å; F17-W311 HydrophobicContact CD1-CZ2 3.61Å; F17-W311 AromaticContact CD1-NE1 3.52Å; F17-W311 HydrophobicContact CE1-CD2 4.38Å; F17-W311 AromaticContact CE1-CE2 3.48Å; F17-W311 VanDerWaalsContact CE1-CE2 3.48Å; F17-W311 HydrophobicContact CE1-CH2 4.07Å; F17-W311 AromaticContact CE1-CZ2 3.3Å; F17-W311 HydrophobicContact CE1-CZ2 3.3Å; F17-W311 AromaticContact CE1-NE1 3.68Å; F17-W311 HydrophobicContact CZ-CH2 4.46Å; F17-W311 HydrophobicContact CZ-CZ2 4.06Å
18C92.8Very high92.7Very high23 Ų2342.9 Ų42.916%0.15522%0.221CC..Hα-helixtrans-60.1-46.7178.2-68.60000111.1H14 L15 V16 F21 I22 V352H14-C18 WeakPolarHBondContact O-CB 3.45Å; H14-C18 PolarHBondContact O-N 3.02Å; H14-C18 PolarHBondContact O-SG 3.34Å; L15-C18 PolarHBondContact O-N 3.08Å; V16-C18 PolarHBondContact O-N 3.37Å; C18-F21 PolarHBondContact O-N 2.82Å; C18-I22 WeakPolarHBondContact O-CB 3.33Å; C18-I22 VanDerWaalsContact O-CG1 3.27Å; C18-I22 WeakPolarHBondContact O-CG1 3.26Å; C18-I22 PolarHBondContact O-N 2.72Å; C18-V352 HydrophobicContact CB-CG2 4.03Å
19Y93.8Very high93.3Very high57 Ų5740.5 Ų40.522%0.22421%0.211CC..Hα-helixtrans-62.8-49.9179176.9-100.9000111.4L15 V16 F17 F21 I22 A23 V318 L319 F322 F345L15-Y19 VanDerWaalsContact O-CB 3.26Å; L15-Y19 WeakPolarHBondContact O-CB 3.41Å; L15-Y19 PolarHBondContact O-N 3.44Å; V16-Y19 PolarHBondContact O-N 3.06Å; F17-Y19 VanDerWaalsContact C-N 3.35Å; F17-Y19 PolarHBondContact O-N 2.83Å; Y19-F21 VanDerWaalsContact C-N 3.34Å; Y19-F21 PolarHBondContact O-N 2.85Å; Y19-I22 PolarHBondContact O-N 3.35Å; Y19-A23 HydrophobicContact CE1-CB 4.39Å; Y19-A23 HydrophobicContact CE2-CB 4.32Å; Y19-A23 VanDerWaalsContact O-CB 3.23Å; Y19-A23 WeakPolarHBondContact O-CB 3.34Å; Y19-A23 PolarHBondContact O-N 3.02Å; Y19-V318 HydrophobicContact CD1-CG2 4.26Å; Y19-V318 HydrophobicContact CE1-CB 4.14Å; Y19-V318 HydrophobicContact CE1-CG2 3.86Å; Y19-L319 HydrophobicContact CD1-CD2 3.73Å; Y19-L319 HydrophobicContact CE1-CD2 4.09Å; Y19-F322 HydrophobicContact CD1-CG 4.46Å; Y19-F322 HydrophobicContact CD2-CD2 4.41Å; Y19-F322 HydrophobicContact CD2-CE2 4.35Å; Y19-F322 HydrophobicContact CE1-CB 3.78Å; Y19-F322 HydrophobicContact CE1-CD1 4.24Å; Y19-F322 HydrophobicContact CE1-CD2 4.09Å; Y19-F322 AromaticContact CE1-CG 3.77Å; Y19-F322 HydrophobicContact CE1-CG 3.77Å; Y19-F322 AromaticContact CE2-CD2 3.69Å; Y19-F322 HydrophobicContact CE2-CD2 3.69Å; Y19-F322 AromaticContact CE2-CE2 3.99Å; Y19-F322 HydrophobicContact CE2-CE2 3.99Å; Y19-F322 HydrophobicContact CE2-CG 4.23Å; Y19-F322 AromaticContact CZ-CD2 3.52Å; Y19-F322 AromaticContact CZ-CG 3.66Å; Y19-F322 WeakPolarHBondContact OH-CB 3.46Å; Y19-F345 AromaticContact CD2-CZ 3.99Å; Y19-F345 HydrophobicContact CD2-CZ 3.99Å
20V96.7Very high94Very high0 Ų042.2 Ų42.20%022%0.22CC..Hα-helixtrans-59.4-46.6179.2173.80000110.5V16 F17 S24 W314 A315 V318 L319V16-V20 HydrophobicContact CG1-CG2 4.38Å; V16-V20 VanDerWaalsContact O-CG2 3.29Å; V16-V20 WeakPolarHBondContact O-CG2 3.27Å; V16-V20 PolarHBondContact O-N 3.39Å; F17-V20 PolarHBondContact O-N 2.75Å; V20-S24 VanDerWaalsContact O-CB 3.22Å; V20-S24 WeakPolarHBondContact O-CB 3.31Å; V20-S24 PolarHBondContact O-N 2.91Å; V20-S24 PolarHBondContact O-OG 3.32Å; V20-W314 HydrophobicContact CG1-CB 4.15Å; V20-A315 HydrophobicContact CG1-CB 4.34Å; V20-A315 HydrophobicContact CG2-CB 4.1Å; V20-V318 HydrophobicContact CB-CG2 4.37Å; V20-V318 HydrophobicContact CG1-CG2 4.42Å; V20-V318 HydrophobicContact CG2-CG2 3.96Å; V20-L319 HydrophobicContact CG2-CD1 4.14Å; V20-L319 HydrophobicContact CG2-CD2 4.11Å; V20-L319 HydrophobicContact CG2-CG 4.01Å
21F96.9Very high94.5Very high24 Ų2441.2 Ų41.211%0.10522%0.219CC..Hα-helixtrans-63.1-45.4179179.3-99.1000112.5F17 C18 Y19 S24 G25 I57 Q60 L61 I131 I132 M355F17-F21 VanDerWaalsContact O-CB 3.26Å; F17-F21 WeakPolarHBondContact O-CB 3.5Å; F17-F21 PolarHBondContact O-N 2.91Å; C18-F21 PolarHBondContact O-N 2.82Å; Y19-F21 VanDerWaalsContact C-N 3.34Å; Y19-F21 PolarHBondContact O-N 2.85Å; F21-S24 PolarHBondContact O-OG 3.22Å; F21-G25 WeakPolarHBondContact O-CA 3.46Å; F21-G25 PolarHBondContact O-N 2.86Å; F21-I57 HydrophobicContact CE2-CG2 3.96Å; F21-I57 HydrophobicContact CZ-CG2 4.26Å; F21-Q60 HydrophobicContact CD2-CB 4.24Å; F21-L61 HydrophobicContact CE2-CD1 4.33Å; F21-L61 HydrophobicContact CE2-CD2 4.44Å; F21-L61 HydrophobicContact CE2-CG 4.15Å; F21-I131 HydrophobicContact CD1-CD1 4.33Å; F21-I131 HydrophobicContact CE1-CB 4.47Å; F21-I131 HydrophobicContact CE1-CD1 4.08Å; F21-I131 HydrophobicContact CE1-CG2 4.16Å; F21-I131 HydrophobicContact CZ-CG2 3.91Å; F21-I132 HydrophobicContact CE2-CD1 4.41Å; F21-I132 HydrophobicContact CZ-CD1 3.84Å; F21-I132 HydrophobicContact CZ-CG1 4.15Å; F21-M355 HydrophobicContact CE1-CE 3.94Å
22I95.7Very high95.1Very high38 Ų3835.8 Ų35.820%0.19520%0.196CC..Hα-helixtrans-66.6-52.7179.3-71.2167.6000111C18 Y19 G25 L26 I131 A348 V352C18-I22 WeakPolarHBondContact O-CB 3.33Å; C18-I22 VanDerWaalsContact O-CG1 3.27Å; C18-I22 WeakPolarHBondContact O-CG1 3.26Å; C18-I22 PolarHBondContact O-N 2.72Å; Y19-I22 PolarHBondContact O-N 3.35Å; I22-G25 PolarHBondContact O-N 3.18Å; I22-L26 HydrophobicContact CG2-CD1 3.75Å; I22-L26 HydrophobicContact CG2-CG 4.32Å; I22-L26 WeakPolarHBondContact O-CB 3.17Å; I22-L26 VanDerWaalsContact O-CG 3.26Å; I22-L26 WeakPolarHBondContact O-CG 3.38Å; I22-L26 PolarHBondContact O-N 3.01Å; I22-I131 HydrophobicContact CB-CD1 4.36Å; I22-I131 HydrophobicContact CG1-CD1 4.2Å; I22-A348 HydrophobicContact CD1-CB 4.22Å; I22-V352 HydrophobicContact CD1-CG2 3.46Å; I22-V352 VanDerWaalsContact CD1-CG2 3.46Å; I22-V352 HydrophobicContact CG1-CG2 4.25Å
23A96.6Very high95.7Very high17 Ų1734.6 Ų34.614%0.1419%0.189CC..Hα-helixtrans-61.9-50.2-175.700000111.1Y19 I27 V318Y19-A23 HydrophobicContact CE1-CB 4.39Å; Y19-A23 HydrophobicContact CE2-CB 4.32Å; Y19-A23 VanDerWaalsContact O-CB 3.23Å; Y19-A23 WeakPolarHBondContact O-CB 3.34Å; Y19-A23 PolarHBondContact O-N 3.02Å; A23-I27 WeakPolarHBondContact O-CD1 3.38Å; A23-I27 VanDerWaalsContact O-CG1 3.26Å; A23-I27 WeakPolarHBondContact O-CG1 3.35Å; A23-I27 PolarHBondContact O-N 2.91Å; A23-I27 VanDerWaalsContact O-N 3.11Å; A23-V318 HydrophobicContact CB-CB 4.21Å; A23-V318 HydrophobicContact CB-CG1 4.17Å; A23-V318 HydrophobicContact CB-CG2 4.42Å
24S98.3Very high96.1Very high0 Ų039.1 Ų39.10%020%0.204CC..Hα-helixtrans-64.2-42.9176.562.80000112V20 F21 L26 I27 I28 Q60V20-S24 VanDerWaalsContact O-CB 3.22Å; V20-S24 WeakPolarHBondContact O-CB 3.31Å; V20-S24 PolarHBondContact O-N 2.91Å; V20-S24 PolarHBondContact O-OG 3.32Å; F21-S24 PolarHBondContact O-OG 3.22Å; S24-L26 PolarHBondContact O-N 3.34Å; S24-I27 PolarHBondContact O-N 3.13Å; S24-I28 WeakPolarHBondContact O-CB 3.42Å; S24-I28 WeakPolarHBondContact O-CD1 3.36Å; S24-I28 WeakPolarHBondContact O-CG1 3.29Å; S24-I28 PolarHBondContact O-N 3.28Å; S24-Q60 PolarHBondContact OG-NE2 3.07Å; S24-Q60 PolarHBondContact OG-OE1 3.37Å
25G98.3Very high96.5Very high0 Ų038.7 Ų38.70%020%0.203CC..Hα-helixtrans-58.4-46.4178.900000112.6F21 I22 I28 N29F21-G25 WeakPolarHBondContact O-CA 3.46Å; F21-G25 PolarHBondContact O-N 2.86Å; I22-G25 PolarHBondContact O-N 3.18Å; G25-I28 PolarHBondContact O-N 3.28Å; G25-N29 VanDerWaalsContact O-CG 3.28Å; G25-N29 PolarHBondContact O-N 2.77Å; G25-N29 PolarHBondContact O-OD1 3.14Å
26L97.9Very high96.9Very high75 Ų7540.2 Ų40.239%0.39321%0.211SC..Hα-helixtrans-64.9-41.5177-69.2174.4000112.4I22 S24 T30 I131 W134I22-L26 HydrophobicContact CG2-CD1 3.75Å; I22-L26 HydrophobicContact CG2-CG 4.32Å; I22-L26 WeakPolarHBondContact O-CB 3.17Å; I22-L26 VanDerWaalsContact O-CG 3.26Å; I22-L26 WeakPolarHBondContact O-CG 3.38Å; I22-L26 PolarHBondContact O-N 3.01Å; S24-L26 PolarHBondContact O-N 3.34Å; L26-T30 WeakPolarHBondContact O-CB 3.27Å; L26-T30 PolarHBondContact O-N 3.49Å; L26-T30 PolarHBondContact O-OG1 3.06Å; L26-I131 HydrophobicContact CD2-CG1 4.36Å; L26-W134 HydrophobicContact CD2-CZ3 3.84Å
27I98.4Very high97.1Very high78 Ų7844.3 Ų44.340%0.423%0.231SC..Hα-helixtrans-59.9-48.9173.7-68.6164.9000109.7A23 S24 T30 V31 W314 V318A23-I27 WeakPolarHBondContact O-CD1 3.38Å; A23-I27 VanDerWaalsContact O-CG1 3.26Å; A23-I27 WeakPolarHBondContact O-CG1 3.35Å; A23-I27 PolarHBondContact O-N 2.91Å; A23-I27 VanDerWaalsContact O-N 3.11Å; S24-I27 PolarHBondContact O-N 3.13Å; I27-T30 WeakPolarHBondContact O-CB 3.4Å; I27-T30 PolarHBondContact O-N 2.74Å; I27-V31 WeakPolarHBondContact O-CG2 3.28Å; I27-V31 PolarHBondContact O-N 3.41Å; I27-W314 HydrophobicContact CB-CH2 4.46Å; I27-W314 HydrophobicContact CB-CZ3 4.32Å; I27-W314 HydrophobicContact CD1-CZ3 4.19Å; I27-W314 HydrophobicContact CG2-CH2 3.94Å; I27-W314 HydrophobicContact CG2-CZ3 4.07Å; I27-V318 HydrophobicContact CD1-CG1 4.29Å
28I98.7Very high97.2Very high3 Ų345.2 Ų45.22%0.01524%0.236CC..Hα-helixtrans-62.1-47.5-179.1-67.2160.2000110.7S24 G25 T30 V31 Q32 L53 C56 I57 W314S24-I28 WeakPolarHBondContact O-CB 3.42Å; S24-I28 WeakPolarHBondContact O-CD1 3.36Å; S24-I28 WeakPolarHBondContact O-CG1 3.29Å; S24-I28 PolarHBondContact O-N 3.28Å; G25-I28 PolarHBondContact O-N 3.28Å; I28-T30 PolarHBondContact O-N 3.24Å; I28-V31 CarbonylContact O-C 3.6Å; I28-V31 WeakPolarHBondContact O-CA 3.46Å; I28-V31 WeakPolarHBondContact O-CB 3.36Å; I28-V31 PolarHBondContact O-N 3Å; I28-V31 VanDerWaalsContact O-N 3.08Å; I28-Q32 HydrophobicContact CG2-CG 4.38Å; I28-Q32 WeakPolarHBondContact O-CG 3.34Å; I28-Q32 PolarHBondContact O-N 2.87Å; I28-L53 HydrophobicContact CG2-CB 3.83Å; I28-L53 HydrophobicContact CG2-CD2 4.23Å; I28-L53 WeakPolarHBondContact CG2-O 3.08Å; I28-C56 HydrophobicContact CD1-CB 3.59Å; I28-C56 HydrophobicContact CG1-CB 4.44Å; I28-I57 HydrophobicContact CB-CD1 4.04Å; I28-I57 HydrophobicContact CB-CG1 4.07Å; I28-I57 HydrophobicContact CD1-CG1 3.65Å; I28-I57 HydrophobicContact CG1-CG1 4.48Å; I28-I57 HydrophobicContact CG2-CD1 3.65Å; I28-I57 HydrophobicContact CG2-CG1 3.85Å; I28-W314 HydrophobicContact CD1-CH2 4.3Å; I28-W314 HydrophobicContact CD1-CZ2 3.64Å; I28-W314 HydrophobicContact CG1-CH2 3.85Å; I28-W314 HydrophobicContact CG1-CZ2 3.53Å
29N98.6Very high97.3Very high8 Ų848.5 Ų48.54%0.04325%0.246CC..Hα-helixtrans-63.7-32.7177.7-64136000112.5G25 V31 Q32 L33 I131 W134G25-N29 VanDerWaalsContact O-CG 3.28Å; G25-N29 PolarHBondContact O-N 2.77Å; G25-N29 PolarHBondContact O-OD1 3.14Å; N29-V31 VanDerWaalsContact C-N 3.34Å; N29-Q32 PolarHBondContact ND2-OE1 2.97Å; N29-Q32 WeakPolarHBondContact O-CB 3.47Å; N29-Q32 PolarHBondContact O-N 3.46Å; N29-L33 PolarHBondContact O-N 3.27Å; N29-I131 PolarHBondContact ND2-O 3.42Å; N29-I131 VanDerWaalsContact OD1-CA 3.24Å; N29-I131 WeakPolarHBondContact OD1-CA 3.31Å; N29-W134 HydrophobicContact CB-CE3 4.08Å
30T98.4Very high97.5Very high75 Ų7550.8 Ų50.846%0.4627%0.268SS..Hα-helixtrans-63-43.4172.9-57.90000110.4L26 I27 I28 Q32 L33 F34L26-T30 WeakPolarHBondContact O-CB 3.27Å; L26-T30 PolarHBondContact O-N 3.49Å; L26-T30 PolarHBondContact O-OG1 3.06Å; I27-T30 WeakPolarHBondContact O-CB 3.4Å; I27-T30 PolarHBondContact O-N 2.74Å; I28-T30 PolarHBondContact O-N 3.24Å; T30-Q32 PolarHBondContact O-N 3.3Å; T30-L33 WeakPolarHBondContact O-CB 3.44Å; T30-L33 PolarHBondContact O-N 3.49Å; T30-F34 HydrophobicContact CG2-CD2 4.35Å; T30-F34 HydrophobicContact CG2-CE2 3.77Å; T30-F34 WeakPolarHBondContact O-CD2 3.32Å; T30-F34 PolarHBondContact O-N 3.47Å
31V98.4Very high97.5Very high65 Ų6557.4 Ų57.439%0.39430%0.302SS..Hα-helixtrans-62-43172178.10000111.1I27 I28 N29 L33 F34 T35 L53I27-V31 WeakPolarHBondContact O-CG2 3.28Å; I27-V31 PolarHBondContact O-N 3.41Å; I28-V31 CarbonylContact O-C 3.6Å; I28-V31 WeakPolarHBondContact O-CA 3.46Å; I28-V31 WeakPolarHBondContact O-CB 3.36Å; I28-V31 PolarHBondContact O-N 3Å; I28-V31 VanDerWaalsContact O-N 3.08Å; N29-V31 VanDerWaalsContact C-N 3.34Å; V31-L33 VanDerWaalsContact C-N 3.27Å; V31-L33 PolarHBondContact O-N 3.47Å; V31-F34 PolarHBondContact O-N 3.17Å; V31-F34 VanDerWaalsContact O-N 3.11Å; V31-T35 WeakPolarHBondContact O-CG2 3.26Å; V31-T35 PolarHBondContact O-N 3.32Å; V31-T35 VanDerWaalsContact O-N 3.14Å; V31-L53 HydrophobicContact CB-CD1 4.47Å; V31-L53 HydrophobicContact CG1-CD1 3.88Å; V31-L53 HydrophobicContact CG1-CD2 4.09Å
32Q98.3Very high97.6Very high0 Ų059.6 Ų59.60%031%0.314CS..Hα-helixtrans-58.8-38.8176-65.7-175-64.400111.9I28 N29 T30 F34 T35 N50 L53 S54 F138I28-Q32 HydrophobicContact CG2-CG 4.38Å; I28-Q32 WeakPolarHBondContact O-CG 3.34Å; I28-Q32 PolarHBondContact O-N 2.87Å; N29-Q32 PolarHBondContact ND2-OE1 2.97Å; N29-Q32 WeakPolarHBondContact O-CB 3.47Å; N29-Q32 PolarHBondContact O-N 3.46Å; T30-Q32 PolarHBondContact O-N 3.3Å; Q32-F34 VanDerWaalsContact C-N 3.32Å; Q32-F34 PolarHBondContact O-N 3.42Å; Q32-T35 WeakPolarHBondContact O-CB 3.41Å; Q32-T35 PolarHBondContact O-N 3.42Å; Q32-T35 PolarHBondContact O-OG1 2.67Å; Q32-N50 VanDerWaalsContact CG-OD1 3.24Å; Q32-N50 WeakPolarHBondContact CG-OD1 3.07Å; Q32-N50 PolarHBondContact NE2-OD1 2.95Å; Q32-L53 HydrophobicContact CB-CD1 4.46Å; Q32-L53 HydrophobicContact CG-CB 3.93Å; Q32-L53 HydrophobicContact CG-CD1 3.6Å; Q32-L53 HydrophobicContact CG-CG 4.39Å; Q32-S54 PolarHBondContact NE2-OG 3.33Å; Q32-F138 HydrophobicContact CB-CB 4.26Å; Q32-F138 HydrophobicContact CB-CD1 3.96Å; Q32-F138 HydrophobicContact CB-CD2 3.47Å; Q32-F138 VanDerWaalsContact CB-CD2 3.47Å; Q32-F138 HydrophobicContact CB-CE1 4.15Å; Q32-F138 HydrophobicContact CB-CE2 3.7Å; Q32-F138 HydrophobicContact CB-CG 3.64Å; Q32-F138 HydrophobicContact CB-CZ 4.05Å; Q32-F138 HydrophobicContact CG-CB 4.47Å; Q32-F138 HydrophobicContact CG-CD2 4.22Å; Q32-F138 HydrophobicContact CG-CG 4.34Å; Q32-F138 VanDerWaalsContact O-CE1 3.26Å; Q32-F138 WeakPolarHBondContact O-CE1 3.43Å
33L98Very high97.6Very high98 Ų9860.6 Ų60.651%0.51332%0.317SS..Hα-helixtrans-58.9-44.4175.1-175.568000111.5N29 T30 V31 T35 L36 F138N29-L33 PolarHBondContact O-N 3.27Å; T30-L33 WeakPolarHBondContact O-CB 3.44Å; T30-L33 PolarHBondContact O-N 3.49Å; V31-L33 VanDerWaalsContact C-N 3.27Å; V31-L33 PolarHBondContact O-N 3.47Å; L33-T35 PolarHBondContact O-N 3.28Å; L33-L36 HydrophobicContact CD1-CD1 3.78Å; L33-L36 WeakPolarHBondContact O-CB 3.43Å; L33-L36 WeakPolarHBondContact O-CG 3.24Å; L33-L36 PolarHBondContact O-N 2.89Å; L33-L36 VanDerWaalsContact O-N 3.12Å; L33-F138 HydrophobicContact CB-CZ 4.3Å; L33-F138 HydrophobicContact CD1-CZ 4.37Å
34F97.9Very high97.7Very high136 Ų13662.7 Ų62.760%0.59632%0.324SS*.Hα-helixtrans-65-26.4176.1-68.7-61.3000113.2T30 V31 Q32 L36 L37T30-F34 HydrophobicContact CG2-CD2 4.35Å; T30-F34 HydrophobicContact CG2-CE2 3.77Å; T30-F34 WeakPolarHBondContact O-CD2 3.32Å; T30-F34 PolarHBondContact O-N 3.47Å; V31-F34 PolarHBondContact O-N 3.17Å; V31-F34 VanDerWaalsContact O-N 3.11Å; Q32-F34 VanDerWaalsContact C-N 3.32Å; Q32-F34 PolarHBondContact O-N 3.42Å; F34-L36 PolarHBondContact O-N 2.97Å; F34-L37 PolarHBondContact O-N 3.46Å
35T97.8Very high97.7Very high13 Ų1366.2 Ų66.28%0.0834%0.343CS..Hα-helixtrans-64.7-17.9174.772.60000113.2V31 Q32 L33 L37 L38 W39 F46 I49 N50 L53V31-T35 WeakPolarHBondContact O-CG2 3.26Å; V31-T35 PolarHBondContact O-N 3.32Å; V31-T35 VanDerWaalsContact O-N 3.14Å; Q32-T35 WeakPolarHBondContact O-CB 3.41Å; Q32-T35 PolarHBondContact O-N 3.42Å; Q32-T35 PolarHBondContact O-OG1 2.67Å; L33-T35 PolarHBondContact O-N 3.28Å; T35-L37 PolarHBondContact O-N 3.12Å; T35-L37 VanDerWaalsContact O-N 3.13Å; T35-L38 WeakPolarHBondContact O-CA 3.46Å; T35-L38 WeakPolarHBondContact O-CB 3.3Å; T35-L38 PolarHBondContact O-N 3.17Å; T35-W39 PolarHBondContact O-N 2.93Å; T35-F46 VanDerWaalsContact O-CD2 3.28Å; T35-F46 WeakPolarHBondContact O-CD2 3.39Å; T35-F46 WeakPolarHBondContact OG1-CD2 3.42Å; T35-F46 WeakPolarHBondContact OG1-CE2 3.33Å; T35-I49 HydrophobicContact CG2-CG2 3.83Å; T35-N50 PolarHBondContact OG1-ND2 2.7Å; T35-L53 HydrophobicContact CG2-CD1 4.1Å
36L96.7Very high97.6Very high70 Ų7066.5 Ų66.537%0.36634%0.344SS..G310 helixtrans-57.9-29.4176.7-68.4175.9000113.1L33 F34 L38 W39 P40 F46 F138L33-L36 HydrophobicContact CD1-CD1 3.78Å; L33-L36 WeakPolarHBondContact O-CB 3.43Å; L33-L36 WeakPolarHBondContact O-CG 3.24Å; L33-L36 PolarHBondContact O-N 2.89Å; L33-L36 VanDerWaalsContact O-N 3.12Å; F34-L36 PolarHBondContact O-N 2.97Å; L36-L38 PolarHBondContact O-N 3.38Å; L36-W39 WeakPolarHBondContact O-CB 3.44Å; L36-W39 PolarHBondContact O-N 3.01Å; L36-W39 VanDerWaalsContact O-N 3.13Å; L36-P40 WeakPolarHBondContact O-CD 3.22Å; L36-F46 HydrophobicContact CD2-CE2 4.12Å; L36-F46 HydrophobicContact CD2-CZ 4.48Å; L36-F138 HydrophobicContact CD1-CE1 4.2Å; L36-F138 HydrophobicContact CD2-CD1 4.35Å; L36-F138 HydrophobicContact CD2-CE1 3.84Å; L36-F138 HydrophobicContact CG-CE1 3.86Å
37L97Very high97.7Very high131 Ų13163 Ų6369%0.68633%0.325SS*.G310 helixtrans-61.1-27.3174.3-58.8177.3000112F34 T35F34-L37 PolarHBondContact O-N 3.46Å; T35-L37 PolarHBondContact O-N 3.12Å; T35-L37 VanDerWaalsContact O-N 3.13Å
38L96.5Very high97.6Very high38 Ų3864 Ų6420%0.19933%0.327CS..G310 helixtrans-84.2-23.3178.7-171.664.4000113T35 L36 I41 N42 L45 F46 I49T35-L38 WeakPolarHBondContact O-CA 3.46Å; T35-L38 WeakPolarHBondContact O-CB 3.3Å; T35-L38 PolarHBondContact O-N 3.17Å; L36-L38 PolarHBondContact O-N 3.38Å; L38-I41 PolarHBondContact O-N 3.08Å; L38-I41 VanDerWaalsContact O-N 3.11Å; L38-N42 HydrophobicContact CD1-CB 4.22Å; L38-N42 CarbonylContact O-C 3.59Å; L38-N42 PolarHBondContact O-N 3.14Å; L38-L45 HydrophobicContact CD1-CD2 4.23Å; L38-L45 HydrophobicContact CD2-CB 3.99Å; L38-L45 HydrophobicContact CD2-CD2 3.86Å; L38-L45 HydrophobicContact CD2-CG 3.71Å; L38-F46 HydrophobicContact CD2-CB 4.38Å; L38-F46 HydrophobicContact CG-CB 4.46Å; L38-I49 HydrophobicContact CD2-CD1 3.72Å
39W95.3Very high97.6Very high93 Ų9366.7 Ų66.735%0.35234%0.341SS..THydrogen-bonded Turntrans-52.4-50.9-177.5179.2-93.3000114.1T35 L36 I41 K43 F46 E140T35-W39 PolarHBondContact O-N 2.93Å; L36-W39 WeakPolarHBondContact O-CB 3.44Å; L36-W39 PolarHBondContact O-N 3.01Å; L36-W39 VanDerWaalsContact O-N 3.13Å; W39-I41 VanDerWaalsContact C-N 3.29Å; W39-I41 PolarHBondContact O-N 3.41Å; W39-K43 HydrophobicContact CD2-CG 4.24Å; W39-K43 HydrophobicContact CE3-CG 3.96Å; W39-K43 HydrophobicContact CH2-CD 4.09Å; W39-K43 HydrophobicContact CH2-CG 3.82Å; W39-K43 HydrophobicContact CZ2-CD 4.13Å; W39-K43 VanDerWaalsContact CZ2-CE 3.42Å; W39-K43 HydrophobicContact CZ2-CG 4.07Å; W39-K43 HydrophobicContact CZ3-CG 3.75Å; W39-K43 PolarHBondContact O-N 2.91Å; W39-F46 HydrophobicContact CB-CD2 4.2Å; W39-F46 HydrophobicContact CD2-CD1 4.48Å; W39-F46 HydrophobicContact CE3-CB 4.27Å; W39-F46 AromaticContact CE3-CD1 3.18Å; W39-F46 HydrophobicContact CE3-CD1 3.18Å; W39-F46 HydrophobicContact CE3-CD2 4.05Å; W39-F46 AromaticContact CE3-CE1 3.33Å; W39-F46 HydrophobicContact CE3-CE1 3.33Å; W39-F46 HydrophobicContact CE3-CE2 4.15Å; W39-F46 AromaticContact CE3-CG 3.57Å; W39-F46 HydrophobicContact CE3-CG 3.57Å; W39-F46 AromaticContact CE3-CZ 3.81Å; W39-F46 HydrophobicContact CE3-CZ 3.81Å; W39-F46 AromaticContact CZ3-CD1 3.36Å; W39-F46 HydrophobicContact CZ3-CD1 3.36Å; W39-F46 AromaticContact CZ3-CE1 3.33Å; W39-F46 HydrophobicContact CZ3-CE1 3.33Å; W39-F46 HydrophobicContact CZ3-CG 4.21Å; W39-F46 HydrophobicContact CZ3-CZ 4.15Å; W39-E140 HydrophobicContact CH2-CG 4.38Å; W39-E140 WeakPolarHBondContact CH2-OE1 3.22Å
40P96.8Very high97.6Very high105 Ų10566.3 Ų66.368%0.68234%0.339SS*.THydrogen-bonded Turntrans-72.2-20.8-179.929-35.2000113.5L36L36-P40 WeakPolarHBondContact O-CD 3.22Å
41I97.6Very high97.6Very high139 Ų13962.8 Ų62.871%0.71332%0.317SS*.THydrogen-bonded Turntrans-88.7-48.7-176.7-56.2171.8000110.6L38 W39L38-I41 PolarHBondContact O-N 3.08Å; L38-I41 VanDerWaalsContact O-N 3.11Å; W39-I41 VanDerWaalsContact C-N 3.29Å; W39-I41 PolarHBondContact O-N 3.41Å
42N97.7Very high97.6Very high70 Ų7066 Ų6637%0.37432%0.322SS..  trans-151.284.4-177.7-168.7-26.9000110.9L38 Q44 L45 F46L38-N42 HydrophobicContact CD1-CB 4.22Å; L38-N42 CarbonylContact O-C 3.59Å; L38-N42 PolarHBondContact O-N 3.14Å; N42-Q44 PolarHBondContact O-N 3.21Å; N42-Q44 PolarHBondContact OD1-N 3.24Å; N42-L45 HydrophobicContact CB-CB 4.05Å; N42-L45 PolarHBondContact O-N 3.05Å; N42-L45 PolarHBondContact OD1-N 2.72Å; N42-F46 PolarHBondContact O-N 2.84Å
43K96.7Very high97.6Very high59 Ų5967.3 Ų67.326%0.25733%0.329SS..Hα-helixtrans-52.5-37.1176.5-169.3-171.3-173.1-164.60113.1W39 F46 R47W39-K43 HydrophobicContact CD2-CG 4.24Å; W39-K43 HydrophobicContact CE3-CG 3.96Å; W39-K43 HydrophobicContact CH2-CD 4.09Å; W39-K43 HydrophobicContact CH2-CG 3.82Å; W39-K43 HydrophobicContact CZ2-CD 4.13Å; W39-K43 VanDerWaalsContact CZ2-CE 3.42Å; W39-K43 HydrophobicContact CZ2-CG 4.07Å; W39-K43 HydrophobicContact CZ3-CG 3.75Å; W39-K43 PolarHBondContact O-N 2.91Å; K43-F46 WeakPolarHBondContact O-CB 3.47Å; K43-F46 PolarHBondContact O-N 3.23Å; K43-R47 VanDerWaalsContact O-CG 3.29Å; K43-R47 WeakPolarHBondContact O-CG 3.44Å; K43-R47 PolarHBondContact O-N 2.82Å
44Q97.9Very high97.6Very high61 Ų6162.9 Ų62.929%0.28531%0.306SS..Hα-helixtrans-72-40.9-177.5-65.5-62.9-18.200111.6N42 R47 K48 D164 P166N42-Q44 PolarHBondContact O-N 3.21Å; N42-Q44 PolarHBondContact OD1-N 3.24Å; Q44-R47 PolarHBondContact O-N 2.92Å; Q44-K48 WeakPolarHBondContact O-CG 3.32Å; Q44-K48 PolarHBondContact O-N 2.92Å; Q44-D164 PolarHBondContact NE2-O 3.46Å; Q44-D164 PolarHBondContact NE2-OD2 2.66Å; Q44-D164 PolarHBondContact OE1-O 3.29Å; Q44-P166 VanDerWaalsContact OE1-CB 3.26Å; Q44-P166 VanDerWaalsContact OE1-CG 3.24Å
45L98Very high97.7Very high74 Ų7458.2 Ų58.239%0.38729%0.285SS..Hα-helixtrans-66.6-41.2173.2-174.461.4000111.4L38 N42 R47 K48 I49L38-L45 HydrophobicContact CD1-CD2 4.23Å; L38-L45 HydrophobicContact CD2-CB 3.99Å; L38-L45 HydrophobicContact CD2-CD2 3.86Å; L38-L45 HydrophobicContact CD2-CG 3.71Å; N42-L45 HydrophobicContact CB-CB 4.05Å; N42-L45 PolarHBondContact O-N 3.05Å; N42-L45 PolarHBondContact OD1-N 2.72Å; L45-R47 VanDerWaalsContact C-N 3.29Å; L45-R47 PolarHBondContact O-N 2.63Å; L45-K48 PolarHBondContact O-N 2.77Å; L45-I49 HydrophobicContact CD1-CD1 4.16Å; L45-I49 HydrophobicContact CD1-CG1 4.25Å; L45-I49 HydrophobicContact CD2-CD1 4.5Å; L45-I49 HydrophobicContact CG-CD1 3.88Å; L45-I49 HydrophobicContact CG-CG1 4.39Å; L45-I49 WeakPolarHBondContact O-CG1 3.46Å; L45-I49 PolarHBondContact O-N 2.91Å
46F98.1Very high97.7Very high6 Ų659 Ų593%0.02629%0.29CS..Hα-helixtrans-51.7-49.4170.9167.5-82.8000111.5T35 L36 L38 W39 N42 K43 I49 N50 F138T35-F46 VanDerWaalsContact O-CD2 3.28Å; T35-F46 WeakPolarHBondContact O-CD2 3.39Å; T35-F46 WeakPolarHBondContact OG1-CD2 3.42Å; T35-F46 WeakPolarHBondContact OG1-CE2 3.33Å; L36-F46 HydrophobicContact CD2-CE2 4.12Å; L36-F46 HydrophobicContact CD2-CZ 4.48Å; L38-F46 HydrophobicContact CD2-CB 4.38Å; L38-F46 HydrophobicContact CG-CB 4.46Å; W39-F46 HydrophobicContact CB-CD2 4.2Å; W39-F46 HydrophobicContact CD2-CD1 4.48Å; W39-F46 HydrophobicContact CE3-CB 4.27Å; W39-F46 AromaticContact CE3-CD1 3.18Å; W39-F46 HydrophobicContact CE3-CD1 3.18Å; W39-F46 HydrophobicContact CE3-CD2 4.05Å; W39-F46 AromaticContact CE3-CE1 3.33Å; W39-F46 HydrophobicContact CE3-CE1 3.33Å; W39-F46 HydrophobicContact CE3-CE2 4.15Å; W39-F46 AromaticContact CE3-CG 3.57Å; W39-F46 HydrophobicContact CE3-CG 3.57Å; W39-F46 AromaticContact CE3-CZ 3.81Å; W39-F46 HydrophobicContact CE3-CZ 3.81Å; W39-F46 AromaticContact CZ3-CD1 3.36Å; W39-F46 HydrophobicContact CZ3-CD1 3.36Å; W39-F46 AromaticContact CZ3-CE1 3.33Å; W39-F46 HydrophobicContact CZ3-CE1 3.33Å; W39-F46 HydrophobicContact CZ3-CG 4.21Å; W39-F46 HydrophobicContact CZ3-CZ 4.15Å; N42-F46 PolarHBondContact O-N 2.84Å; K43-F46 WeakPolarHBondContact O-CB 3.47Å; K43-F46 PolarHBondContact O-N 3.23Å; F46-I49 PolarHBondContact O-N 2.83Å; F46-N50 VanDerWaalsContact CD2-ND2 3.33Å; F46-N50 WeakPolarHBondContact CD2-ND2 3.36Å; F46-N50 WeakPolarHBondContact CE2-ND2 3.42Å; F46-N50 VanDerWaalsContact CZ-ND2 3.31Å; F46-N50 WeakPolarHBondContact CZ-ND2 3.34Å; F46-N50 WeakPolarHBondContact O-CB 3.21Å; F46-N50 PolarHBondContact O-N 3.49Å; F46-N50 PolarHBondContact O-ND2 2.96Å; F46-F138 WeakPolarHBondContact CE1-O 3.12Å; F46-F138 HydrophobicContact CE2-CD1 4.37Å; F46-F138 HydrophobicContact CZ-CD1 4.07Å
47R98.1Very high97.8Very high1 Ų155.6 Ų55.60%0.00427%0.273CS..Hα-helixtrans-63.9-44.1-178.6-75.9168.9168.3-177.4-16.5111.7K43 Q44 L45 N50 C51 E140 H161 D164 Y165 P166K43-R47 VanDerWaalsContact O-CG 3.29Å; K43-R47 WeakPolarHBondContact O-CG 3.44Å; K43-R47 PolarHBondContact O-N 2.82Å; Q44-R47 PolarHBondContact O-N 2.92Å; L45-R47 VanDerWaalsContact C-N 3.29Å; L45-R47 PolarHBondContact O-N 2.63Å; R47-N50 PolarHBondContact O-N 2.8Å; R47-C51 WeakPolarHBondContact O-CB 3.46Å; R47-C51 PolarHBondContact O-N 3.02Å; R47-E140 IonicContact CZ-OE1 3.01Å; R47-E140 IonicContact CZ-OE2 3.01Å; R47-E140 IonicContact NE-OE1 3.34Å; R47-E140 IonicContact NE-OE2 3.02Å; R47-E140 PolarHBondContact NE-OE2 3.35Å; R47-E140 VanDerWaalsContact NH2-CD 3.35Å; R47-E140 IonicContact NH2-OE1 3.12Å; R47-E140 PolarHBondContact NH2-OE1 2.63Å; R47-E140 IonicContact NH2-OE2 3.64Å; R47-E140 PolarHBondContact NH2-OE2 2.72Å; R47-H161 PolarHBondContact NH2-O 3.45Å; R47-D164 IonicContact CZ-OD1 3.33Å; R47-D164 PolarHBondContact NH1-O 2.92Å; R47-D164 IonicContact NH1-OD1 3.9Å; R47-D164 PolarHBondContact NH1-OD1 2.75Å; R47-D164 IonicContact NH1-OD2 3.65Å; R47-D164 PolarHBondContact NH1-OD2 3.44Å; R47-D164 IonicContact NH2-OD1 2.71Å; R47-D164 PolarHBondContact NH2-OD1 3.48Å; R47-Y165 HydrophobicContact CB-CE2 4.11Å; R47-Y165 HydrophobicContact CG-CD2 4.29Å; R47-Y165 HydrophobicContact CG-CE2 3.85Å; R47-P166 HydrophobicContact CB-CG 3.69Å
48K98.2Very high97.8Very high98 Ų9849.6 Ų49.643%0.42624%0.242SC..Hα-helixtrans-61.2-46.7177-72.2-177.4178.3-177.40111.8Q44 L45 C51 R52 P166Q44-K48 WeakPolarHBondContact O-CG 3.32Å; Q44-K48 PolarHBondContact O-N 2.92Å; L45-K48 PolarHBondContact O-N 2.77Å; K48-C51 WeakPolarHBondContact O-CB 3.25Å; K48-C51 PolarHBondContact O-N 3.36Å; K48-R52 WeakPolarHBondContact O-CG 3.39Å; K48-R52 PolarHBondContact O-N 3.19Å; K48-P166 HydrophobicContact CD-CB 4.41Å; K48-P166 HydrophobicContact CG-CB 3.94Å; K48-P166 HydrophobicContact CG-CG 3.73Å
49I98.4Very high97.9Very high61 Ų6147.8 Ų47.831%0.31323%0.232SC..Hα-helixtrans-61.7-49.3177.5-68.1171000110.1T35 L38 L45 F46 C51 R52 L53T35-I49 HydrophobicContact CG2-CG2 3.83Å; L38-I49 HydrophobicContact CD2-CD1 3.72Å; L45-I49 HydrophobicContact CD1-CD1 4.16Å; L45-I49 HydrophobicContact CD1-CG1 4.25Å; L45-I49 HydrophobicContact CD2-CD1 4.5Å; L45-I49 HydrophobicContact CG-CD1 3.88Å; L45-I49 HydrophobicContact CG-CG1 4.39Å; L45-I49 WeakPolarHBondContact O-CG1 3.46Å; L45-I49 PolarHBondContact O-N 2.91Å; F46-I49 PolarHBondContact O-N 2.83Å; I49-C51 VanDerWaalsContact C-N 3.27Å; I49-C51 PolarHBondContact O-N 3.19Å; I49-R52 PolarHBondContact O-N 3.01Å; I49-L53 HydrophobicContact CG2-CD1 3.74Å; I49-L53 HydrophobicContact CG2-CG 4.16Å; I49-L53 WeakPolarHBondContact O-CG 3.46Å; I49-L53 PolarHBondContact O-N 2.79Å
50N98.4Very high98.1Very high0 Ų043.7 Ų43.70%022%0.217CC..Hα-helixtrans-65.9-27.8-179.2-81-69.4000113.8Q32 T35 F46 R47 S54 F138 T139Q32-N50 VanDerWaalsContact CG-OD1 3.24Å; Q32-N50 WeakPolarHBondContact CG-OD1 3.07Å; Q32-N50 PolarHBondContact NE2-OD1 2.95Å; T35-N50 PolarHBondContact OG1-ND2 2.7Å; F46-N50 VanDerWaalsContact CD2-ND2 3.33Å; F46-N50 WeakPolarHBondContact CD2-ND2 3.36Å; F46-N50 WeakPolarHBondContact CE2-ND2 3.42Å; F46-N50 VanDerWaalsContact CZ-ND2 3.31Å; F46-N50 WeakPolarHBondContact CZ-ND2 3.34Å; F46-N50 WeakPolarHBondContact O-CB 3.21Å; F46-N50 PolarHBondContact O-N 3.49Å; F46-N50 PolarHBondContact O-ND2 2.96Å; R47-N50 PolarHBondContact O-N 2.8Å; N50-S54 WeakPolarHBondContact O-CB 3.46Å; N50-S54 PolarHBondContact O-N 2.6Å; N50-S54 PolarHBondContact O-OG 2.89Å; N50-F138 HydrophobicContact CB-CB 4.46Å; N50-F138 WeakPolarHBondContact CB-O 3.49Å; N50-F138 WeakPolarHBondContact OD1-CB 3.47Å; N50-T139 HydrophobicContact CB-CG2 4.39Å
51C98.1Very high98.1Very high1 Ų140.2 Ų40.21%0.00719%0.192CC..Hα-helixtrans-62.3-44.6169.4178.80000111.2R47 K48 I49 Y55 G116 G117 E167R47-C51 WeakPolarHBondContact O-CB 3.46Å; R47-C51 PolarHBondContact O-N 3.02Å; K48-C51 WeakPolarHBondContact O-CB 3.25Å; K48-C51 PolarHBondContact O-N 3.36Å; I49-C51 VanDerWaalsContact C-N 3.27Å; I49-C51 PolarHBondContact O-N 3.19Å; C51-Y55 PolarHBondContact O-N 3.05Å; C51-G116 WeakPolarHBondContact O-CA 3.46Å; C51-G116 PolarHBondContact SG-O 2.9Å; C51-G116 VanDerWaalsContact SG-O 3.4Å; C51-G117 PolarHBondContact SG-N 3.13Å; C51-E167 HydrophobicContact CB-CG 4.17Å
52R98.3Very high98.2Very high131 Ų13133.6 Ų33.649%0.49416%0.158SC..Hα-helixtrans-70.9-39.3177-56.7-57.4176.8-129.2-11112.5K48 I49 S54 Y55 C56 E167K48-R52 WeakPolarHBondContact O-CG 3.39Å; K48-R52 PolarHBondContact O-N 3.19Å; I49-R52 PolarHBondContact O-N 3.01Å; R52-S54 VanDerWaalsContact C-N 3.35Å; R52-Y55 VanDerWaalsContact O-CB 3.28Å; R52-Y55 WeakPolarHBondContact O-CB 3.49Å; R52-Y55 PolarHBondContact O-N 3.27Å; R52-C56 PolarHBondContact O-N 3.32Å; R52-E167 IonicContact CZ-OE2 2.81Å; R52-E167 IonicContact NH1-OE2 3.08Å; R52-E167 PolarHBondContact NH1-OE2 3.37Å; R52-E167 VanDerWaalsContact NH2-CD 3.33Å; R52-E167 IonicContact NH2-OE1 3.19Å; R52-E167 PolarHBondContact NH2-OE1 2.71Å; R52-E167 IonicContact NH2-OE2 2.9Å; R52-E167 PolarHBondContact NH2-OE2 2.84Å
53L98.5Very high98.2Very high29 Ų2930.5 Ų30.515%0.15214%0.142CC..Hα-helixtrans-63.5-42.5174.7-67.5174.9000111.3I28 V31 Q32 T35 I49 Y55 C56 I57I28-L53 HydrophobicContact CG2-CB 3.83Å; I28-L53 HydrophobicContact CG2-CD2 4.23Å; I28-L53 WeakPolarHBondContact CG2-O 3.08Å; V31-L53 HydrophobicContact CB-CD1 4.47Å; V31-L53 HydrophobicContact CG1-CD1 3.88Å; V31-L53 HydrophobicContact CG1-CD2 4.09Å; Q32-L53 HydrophobicContact CB-CD1 4.46Å; Q32-L53 HydrophobicContact CG-CB 3.93Å; Q32-L53 HydrophobicContact CG-CD1 3.6Å; Q32-L53 HydrophobicContact CG-CG 4.39Å; T35-L53 HydrophobicContact CG2-CD1 4.1Å; I49-L53 HydrophobicContact CG2-CD1 3.74Å; I49-L53 HydrophobicContact CG2-CG 4.16Å; I49-L53 WeakPolarHBondContact O-CG 3.46Å; I49-L53 PolarHBondContact O-N 2.79Å; L53-Y55 VanDerWaalsContact C-N 3.31Å; L53-Y55 PolarHBondContact O-N 3.05Å; L53-C56 WeakPolarHBondContact O-CB 3.45Å; L53-C56 PolarHBondContact O-N 3.33Å; L53-C56 VanDerWaalsContact O-N 3.13Å; L53-I57 PolarHBondContact O-N 3.48Å
54S98.2Very high98.2Very high4 Ų428.4 Ų28.43%0.02813%0.133CC..Hα-helixtrans-67.2-32.3176.3-59.10000112.9Q32 N50 R52 C56 I57 S58 M135 T139Q32-S54 PolarHBondContact NE2-OG 3.33Å; N50-S54 WeakPolarHBondContact O-CB 3.46Å; N50-S54 PolarHBondContact O-N 2.6Å; N50-S54 PolarHBondContact O-OG 2.89Å; R52-S54 VanDerWaalsContact C-N 3.35Å; S54-C56 VanDerWaalsContact C-N 3.33Å; S54-C56 PolarHBondContact O-N 2.81Å; S54-I57 PolarHBondContact O-N 3.27Å; S54-S58 WeakPolarHBondContact O-CB 3.43Å; S54-S58 PolarHBondContact O-N 2.68Å; S54-S58 PolarHBondContact O-OG 3.12Å; S54-M135 VanDerWaalsContact CB-CG 3.47Å; S54-M135 VanDerWaalsContact O-SD 3.41Å; S54-M135 WeakPolarHBondContact OG-CG 3.43Å; S54-T139 WeakPolarHBondContact OG-CG2 3.49Å
55Y98.6Very high98.2Very high38 Ų3825.5 Ų25.515%0.14912%0.12CC..Hα-helixtrans-57.2-46.6169.1178.8-85.5000111.3C51 R52 L53 I57 S58 S59 E110 L115 W306C51-Y55 PolarHBondContact O-N 3.05Å; R52-Y55 VanDerWaalsContact O-CB 3.28Å; R52-Y55 WeakPolarHBondContact O-CB 3.49Å; R52-Y55 PolarHBondContact O-N 3.27Å; L53-Y55 VanDerWaalsContact C-N 3.31Å; L53-Y55 PolarHBondContact O-N 3.05Å; Y55-I57 PolarHBondContact O-N 3.19Å; Y55-S58 PolarHBondContact O-N 2.99Å; Y55-S58 PolarHBondContact O-OG 3.04Å; Y55-S59 WeakPolarHBondContact O-CB 3.42Å; Y55-S59 PolarHBondContact O-N 3.2Å; Y55-S59 PolarHBondContact O-OG 3.11Å; Y55-E110 WeakPolarHBondContact CE2-OE2 3.35Å; Y55-E110 PolarHBondContact OH-OE1 3.27Å; Y55-E110 PolarHBondContact OH-OE2 3.05Å; Y55-L115 HydrophobicContact CD2-CB 4.06Å; Y55-L115 HydrophobicContact CD2-CD2 4.1Å; Y55-L115 HydrophobicContact CD2-CG 4.31Å; Y55-L115 HydrophobicContact CE2-CB 4.2Å; Y55-L115 HydrophobicContact CE2-CD2 4.05Å; Y55-W306 WeakPolarHBondContact OH-CB 3.23Å
56C98.6Very high98.2Very high29 Ų2922 Ų2220%0.19610%0.102CC..Hα-helixtrans-59.4-30-179.7-69.40000114I28 R52 L53 S54 Q60 N310I28-C56 HydrophobicContact CD1-CB 3.59Å; I28-C56 HydrophobicContact CG1-CB 4.44Å; R52-C56 PolarHBondContact O-N 3.32Å; L53-C56 WeakPolarHBondContact O-CB 3.45Å; L53-C56 PolarHBondContact O-N 3.33Å; L53-C56 VanDerWaalsContact O-N 3.13Å; S54-C56 VanDerWaalsContact C-N 3.33Å; S54-C56 PolarHBondContact O-N 2.81Å; C56-Q60 PolarHBondContact O-NE2 2.98Å; C56-Q60 VanDerWaalsContact O-NE2 3.09Å; C56-N310 PolarHBondContact O-ND2 3.36Å; C56-N310 PolarHBondContact SG-OD1 2.87Å; C56-N310 VanDerWaalsContact SG-OD1 3.4Å
57I98.6Very high98.2Very high0 Ų026.2 Ų26.20%012%0.117CC..Hα-helixtrans-81.2-58.4174.7-62.9172.8000110.3F21 I28 L53 S54 Y55 S59 Q60 I131 I132 M135F21-I57 HydrophobicContact CE2-CG2 3.96Å; F21-I57 HydrophobicContact CZ-CG2 4.26Å; I28-I57 HydrophobicContact CB-CD1 4.04Å; I28-I57 HydrophobicContact CB-CG1 4.07Å; I28-I57 HydrophobicContact CD1-CG1 3.65Å; I28-I57 HydrophobicContact CG1-CG1 4.48Å; I28-I57 HydrophobicContact CG2-CD1 3.65Å; I28-I57 HydrophobicContact CG2-CG1 3.85Å; L53-I57 PolarHBondContact O-N 3.48Å; S54-I57 PolarHBondContact O-N 3.27Å; Y55-I57 PolarHBondContact O-N 3.19Å; I57-S59 VanDerWaalsContact C-N 3.33Å; I57-S59 PolarHBondContact O-N 3.39Å; I57-Q60 WeakPolarHBondContact O-CB 2.77Å; I57-Q60 PolarHBondContact O-N 2.88Å; I57-I131 HydrophobicContact CD1-CG2 4.16Å; I57-I131 HydrophobicContact CG2-CG2 3.74Å; I57-I132 HydrophobicContact CG2-CD1 3.83Å; I57-M135 HydrophobicContact CB-SD 3.6Å; I57-M135 VanDerWaalsContact CB-SD 3.6Å; I57-M135 HydrophobicContact CD1-CB 3.92Å; I57-M135 HydrophobicContact CD1-CG 4.05Å; I57-M135 HydrophobicContact CD1-SD 4.18Å; I57-M135 HydrophobicContact CG1-SD 4.43Å; I57-M135 HydrophobicContact CG2-SD 3.67Å
58S98.1Very high98.1Very high4 Ų428.3 Ų28.33%0.02813%0.125CC..Hα-helixtrans-63.3-35.2-173.353.90000113.5S54 Y55 Q60 L61 V62 L115S54-S58 WeakPolarHBondContact O-CB 3.43Å; S54-S58 PolarHBondContact O-N 2.68Å; S54-S58 PolarHBondContact O-OG 3.12Å; Y55-S58 PolarHBondContact O-N 2.99Å; Y55-S58 PolarHBondContact O-OG 3.04Å; S58-Q60 PolarHBondContact O-N 3.42Å; S58-L61 PolarHBondContact O-N 2.98Å; S58-L61 VanDerWaalsContact O-N 3.12Å; S58-V62 PolarHBondContact O-N 3.27Å; S58-L115 WeakPolarHBondContact OG-CG 3.33Å
59S98.5Very high98Very high0 Ų023.8 Ų23.80%011%0.106CC..Hα-helixtrans-61.1-25.4177.2600000113.6Y55 I57 L61 V62 M63 N310Y55-S59 WeakPolarHBondContact O-CB 3.42Å; Y55-S59 PolarHBondContact O-N 3.2Å; Y55-S59 PolarHBondContact O-OG 3.11Å; I57-S59 VanDerWaalsContact C-N 3.33Å; I57-S59 PolarHBondContact O-N 3.39Å; S59-L61 VanDerWaalsContact C-N 3.33Å; S59-V62 PolarHBondContact O-N 3.41Å; S59-M63 VanDerWaalsContact O-CB 3.28Å; S59-M63 WeakPolarHBondContact O-CB 3.42Å; S59-M63 PolarHBondContact O-N 2.72Å; S59-N310 PolarHBondContact OG-ND2 3.09Å
60Q98.4Very high97.9Very high7 Ų721.8 Ų21.83%0.03310%0.1CC..Hα-helixtrans-68.6-35.7176.7-64.4-177.153.600111.6F21 S24 C56 I57 S58 M63 L64F21-Q60 HydrophobicContact CD2-CB 4.24Å; S24-Q60 PolarHBondContact OG-NE2 3.07Å; S24-Q60 PolarHBondContact OG-OE1 3.37Å; C56-Q60 PolarHBondContact O-NE2 2.98Å; C56-Q60 VanDerWaalsContact O-NE2 3.09Å; I57-Q60 WeakPolarHBondContact O-CB 2.77Å; I57-Q60 PolarHBondContact O-N 2.88Å; S58-Q60 PolarHBondContact O-N 3.42Å; Q60-M63 PolarHBondContact O-N 3.11Å; Q60-L64 PolarHBondContact O-N 3.1Å
61L97.9Very high97.8Very high32 Ų3221.8 Ų21.817%0.16810%0.1CC..Hα-helixtrans-72.2-39.2174.4-65.6173.3000111.1F21 S58 S59 M63 L64 L65 L103 W106 I132F21-L61 HydrophobicContact CE2-CD1 4.33Å; F21-L61 HydrophobicContact CE2-CD2 4.44Å; F21-L61 HydrophobicContact CE2-CG 4.15Å; S58-L61 PolarHBondContact O-N 2.98Å; S58-L61 VanDerWaalsContact O-N 3.12Å; S59-L61 VanDerWaalsContact C-N 3.33Å; L61-M63 VanDerWaalsContact C-N 3.3Å; L61-M63 PolarHBondContact O-N 3.26Å; L61-L64 WeakPolarHBondContact O-CB 3.48Å; L61-L64 PolarHBondContact O-N 3.04Å; L61-L65 PolarHBondContact O-N 3.16Å; L61-L65 VanDerWaalsContact O-N 3.09Å; L61-L103 HydrophobicContact CB-CD1 3.78Å; L61-W106 HydrophobicContact CB-CZ3 4.49Å; L61-W106 HydrophobicContact CD1-CZ3 3.77Å; L61-I132 HydrophobicContact CD1-CD1 4.14Å
62V98.4Very high97.6Very high0 Ų025.2 Ų25.20%012%0.116CC..Hα-helixtrans-63.5-39.3172.6178.30000110.9S58 S59 L64 L65 E66 W106 E110 L115 T307S58-V62 PolarHBondContact O-N 3.27Å; S59-V62 PolarHBondContact O-N 3.41Å; V62-L64 VanDerWaalsContact C-N 3.31Å; V62-L64 PolarHBondContact O-N 2.91Å; V62-L65 PolarHBondContact O-N 3.34Å; V62-E66 HydrophobicContact CG1-CG 4.02Å; V62-E66 WeakPolarHBondContact O-CG 3.45Å; V62-E66 PolarHBondContact O-N 3.5Å; V62-W106 HydrophobicContact CG2-CB 3.77Å; V62-E110 HydrophobicContact CG1-CB 3.99Å; V62-E110 HydrophobicContact CG1-CG 4.16Å; V62-L115 HydrophobicContact CG2-CD1 4.05Å; V62-L115 HydrophobicContact CG2-CD2 3.89Å; V62-T307 HydrophobicContact CB-CG2 4.22Å; V62-T307 HydrophobicContact CG1-CG2 4.01Å
63M98.2Very high97.5Very high6 Ų619.1 Ų19.13%0.039%0.094CC..Hα-helixtrans-59.4-44.9174.9-176.2-71.6-62.900110.9F17 S59 Q60 L61 L65 E66 W67 W68 L308 W311F17-M63 HydrophobicContact CD1-CE 4.15Å; F17-M63 HydrophobicContact CE1-CE 3.51Å; F17-M63 HydrophobicContact CZ-CE 4.49Å; S59-M63 VanDerWaalsContact O-CB 3.28Å; S59-M63 WeakPolarHBondContact O-CB 3.42Å; S59-M63 PolarHBondContact O-N 2.72Å; Q60-M63 PolarHBondContact O-N 3.11Å; L61-M63 VanDerWaalsContact C-N 3.3Å; L61-M63 PolarHBondContact O-N 3.26Å; M63-L65 VanDerWaalsContact C-N 3.29Å; M63-L65 PolarHBondContact O-N 2.85Å; M63-E66 PolarHBondContact O-N 3.3Å; M63-W67 HydrophobicContact CG-CB 4.3Å; M63-W67 HydrophobicContact CG-CG 4.42Å; M63-W67 WeakPolarHBondContact O-CB 3.44Å; M63-W67 PolarHBondContact O-N 3.33Å; M63-W67 HydrophobicContact SD-CB 4.14Å; M63-W68 PolarHBondContact O-N 3.47Å; M63-L308 HydrophobicContact CG-CB 4.49Å; M63-L308 HydrophobicContact CG-CD1 4.37Å; M63-W311 HydrophobicContact CE-CB 3.79Å; M63-W311 HydrophobicContact CE-CD2 3.55Å; M63-W311 HydrophobicContact CE-CE3 4.37Å; M63-W311 HydrophobicContact CE-CG 3.2Å; M63-W311 HydrophobicContact CG-CB 3.97Å; M63-W311 HydrophobicContact CG-CG 4.41Å; M63-W311 HydrophobicContact SD-CG 4.36Å
64L97.4Very high97.5Very high14 Ų1418.3 Ų18.37%0.0739%0.09CC..Iπ-helixtrans-58.5-41.1176.3-167.875.9000111.9F17 Q60 L61 V62 W68 S69 V243 L244F17-L64 HydrophobicContact CD1-CD1 4.14Å; F17-L64 HydrophobicContact CD2-CD1 4.33Å; F17-L64 HydrophobicContact CE1-CD1 4.22Å; F17-L64 HydrophobicContact CE2-CD1 4.39Å; F17-L64 HydrophobicContact CG-CD1 4.22Å; F17-L64 HydrophobicContact CZ-CD1 4.34Å; Q60-L64 PolarHBondContact O-N 3.1Å; L61-L64 WeakPolarHBondContact O-CB 3.48Å; L61-L64 PolarHBondContact O-N 3.04Å; V62-L64 VanDerWaalsContact C-N 3.31Å; V62-L64 PolarHBondContact O-N 2.91Å; L64-W68 HydrophobicContact CD1-CB 3.93Å; L64-W68 VanDerWaalsContact CD1-CD1 3.47Å; L64-W68 HydrophobicContact CD1-CG 3.76Å; L64-W68 HydrophobicContact CG-CB 4.49Å; L64-W68 WeakPolarHBondContact O-CB 3.29Å; L64-S69 PolarHBondContact O-N 3.17Å; L64-V243 HydrophobicContact CD2-CG1 4.02Å; L64-V243 HydrophobicContact CG-CG1 3.9Å; L64-L244 HydrophobicContact CD1-CD1 4.07Å; L64-L244 HydrophobicContact CD2-CB 4.45Å; L64-L244 HydrophobicContact CD2-CD1 4.15Å
65L98.1Very high97.4Very high1 Ų118.1 Ų18.11%0.0059%0.089CC..Iπ-helixtrans-69.1-50177.3-173.970.4000112.5L61 V62 M63 S69 T71 I100 L103 V243L61-L65 PolarHBondContact O-N 3.16Å; L61-L65 VanDerWaalsContact O-N 3.09Å; V62-L65 PolarHBondContact O-N 3.34Å; M63-L65 VanDerWaalsContact C-N 3.29Å; M63-L65 PolarHBondContact O-N 2.85Å; L65-S69 PolarHBondContact O-OG 3.45Å; L65-T71 HydrophobicContact CD1-CG2 3.69Å; L65-T71 HydrophobicContact CG-CG2 4.07Å; L65-T71 WeakPolarHBondContact O-CB 3.44Å; L65-T71 PolarHBondContact O-N 3.03Å; L65-I100 HydrophobicContact CD1-CD1 4.13Å; L65-L103 HydrophobicContact CB-CD2 3.95Å; L65-L103 HydrophobicContact CB-CG 4.01Å; L65-L103 HydrophobicContact CD1-CD2 4.07Å; L65-L103 HydrophobicContact CD1-CG 4.38Å; L65-L103 HydrophobicContact CD2-CB 4.44Å; L65-L103 HydrophobicContact CD2-CD2 4.42Å; L65-L103 HydrophobicContact CD2-CG 3.84Å; L65-L103 HydrophobicContact CG-CD2 4.36Å; L65-L103 HydrophobicContact CG-CG 4.28Å; L65-V243 HydrophobicContact CD1-CG1 4.22Å; L65-V243 HydrophobicContact CD1-CG2 3.78Å
66E97.3Very high97.4Very high1 Ų116.6 Ų16.61%0.0058%0.083CC..Iπ-helixtrans-84-42.9-168.6-65-165.9136.900113.4V62 M63 G70 S107 R111 R303V62-E66 HydrophobicContact CG1-CG 4.02Å; V62-E66 WeakPolarHBondContact O-CG 3.45Å; V62-E66 PolarHBondContact O-N 3.5Å; M63-E66 PolarHBondContact O-N 3.3Å; E66-G70 WeakPolarHBondContact O-CA 3.48Å; E66-S107 PolarHBondContact OE1-OG 2.94Å; E66-R111 IonicContact OE1-CZ 2.7Å; E66-R111 IonicContact OE1-NE 2.96Å; E66-R111 PolarHBondContact OE1-NE 2.88Å; E66-R111 IonicContact OE1-NH2 3.52Å; E66-R111 PolarHBondContact OE1-NH2 3.36Å; E66-R303 PolarHBondContact O-NH1 3.27Å; E66-R303 PolarHBondContact O-NH2 2.92Å
67W97.1Very high97.4Very high93 Ų9315.2 Ų15.235%0.3527%0.074SC..Iπ-helixtrans-100.5-41.8-170.5-62.390.5000111.7M63 R303 T307 L308M63-W67 HydrophobicContact CG-CB 4.3Å; M63-W67 HydrophobicContact CG-CG 4.42Å; M63-W67 WeakPolarHBondContact O-CB 3.44Å; M63-W67 PolarHBondContact O-N 3.33Å; M63-W67 HydrophobicContact SD-CB 4.14Å; W67-R303 HydrophobicContact CZ2-CB 4.14Å; W67-T307 PolarHBondContact NE1-OG1 3.34Å; W67-T307 VanDerWaalsContact NE1-OG1 3.11Å; W67-L308 HydrophobicContact CD2-CB 4.09Å; W67-L308 HydrophobicContact CD2-CD2 4.05Å; W67-L308 HydrophobicContact CE3-CD2 3.82Å; W67-L308 HydrophobicContact CG-CB 4.23Å; W67-L308 HydrophobicContact CH2-CD2 4.44Å; W67-L308 HydrophobicContact CZ2-CB 4.48Å; W67-L308 HydrophobicContact CZ3-CD2 4.03Å
68W96.3Very high97.3Very high45 Ų4517.3 Ų17.317%0.178%0.084CC..Iπ-helixtrans-77.3-56.6-179.1177-102.7000112.5K8 C13 F17 M63 L64 G70 L244K8-W68 VanDerWaalsContact CA-CZ2 3.45Å; K8-W68 HydrophobicContact CB-CH2 4.05Å; K8-W68 HydrophobicContact CB-CZ2 3.5Å; K8-W68 VanDerWaalsContact CB-CZ2 3.5Å; K8-W68 HydrophobicContact CD-CD2 4.39Å; K8-W68 HydrophobicContact CD-CZ2 4.38Å; K8-W68 WeakPolarHBondContact CE-O 3.37Å; K8-W68 HydrophobicContact CG-CD2 4.31Å; K8-W68 HydrophobicContact CG-CE3 4.39Å; K8-W68 HydrophobicContact CG-CH2 3.64Å; K8-W68 HydrophobicContact CG-CZ2 3.51Å; K8-W68 HydrophobicContact CG-CZ3 4.08Å; K8-W68 PolarHBondContact NZ-O 2.81Å; K8-W68 WeakPolarHBondContact O-CZ2 3.47Å; C13-W68 HydrophobicContact CB-CH2 3.99Å; C13-W68 HydrophobicContact CB-CZ2 4.14Å; F17-W68 HydrophobicContact CD2-CZ2 4.45Å; F17-W68 AromaticContact CE2-CD2 3.58Å; F17-W68 HydrophobicContact CE2-CD2 3.58Å; F17-W68 AromaticContact CE2-CE2 3.57Å; F17-W68 AromaticContact CE2-CE3 3.64Å; F17-W68 HydrophobicContact CE2-CE3 3.64Å; F17-W68 HydrophobicContact CE2-CG 4.25Å; F17-W68 AromaticContact CE2-CH2 3.65Å; F17-W68 HydrophobicContact CE2-CH2 3.65Å; F17-W68 AromaticContact CE2-CZ2 3.59Å; F17-W68 HydrophobicContact CE2-CZ2 3.59Å; F17-W68 AromaticContact CE2-CZ3 3.68Å; F17-W68 HydrophobicContact CE2-CZ3 3.68Å; F17-W68 HydrophobicContact CZ-CB 4.48Å; F17-W68 AromaticContact CZ-CD2 3.61Å; F17-W68 HydrophobicContact CZ-CD2 3.61Å; F17-W68 AromaticContact CZ-CE3 3.44Å; F17-W68 HydrophobicContact CZ-CE3 3.44Å; F17-W68 VanDerWaalsContact CZ-CE3 3.44Å; F17-W68 HydrophobicContact CZ-CG 4.1Å; F17-W68 HydrophobicContact CZ-CH2 4.26Å; F17-W68 HydrophobicContact CZ-CZ2 4.4Å; F17-W68 AromaticContact CZ-CZ3 3.8Å; F17-W68 HydrophobicContact CZ-CZ3 3.8Å; M63-W68 PolarHBondContact O-N 3.47Å; L64-W68 HydrophobicContact CD1-CB 3.93Å; L64-W68 VanDerWaalsContact CD1-CD1 3.47Å; L64-W68 HydrophobicContact CD1-CG 3.76Å; L64-W68 HydrophobicContact CG-CB 4.49Å; L64-W68 WeakPolarHBondContact O-CB 3.29Å; W68-G70 VanDerWaalsContact C-N 3.33Å; W68-L244 PolarHBondContact NE1-O 3.26Å
69S96.1Very high97.1Very high4 Ų420 Ų203%0.02810%0.102CC..SBendtrans-81.2-16.4178.282.40000113.3L64 L65 T71 V243 K247 K248L64-S69 PolarHBondContact O-N 3.17Å; L65-S69 PolarHBondContact O-OG 3.45Å; S69-T71 PolarHBondContact O-N 3.28Å; S69-T71 PolarHBondContact OG-N 3.19Å; S69-T71 PolarHBondContact OG-OG1 3.4Å; S69-V243 WeakPolarHBondContact CB-O 3.48Å; S69-K247 WeakPolarHBondContact CB-O 3.19Å; S69-K248 VanDerWaalsContact O-CA 3.25Å; S69-K248 WeakPolarHBondContact O-CA 3.3Å; S69-K248 WeakPolarHBondContact O-CB 3.38Å; S69-K248 PolarHBondContact O-N 3.46Å
70G96.1Very high97Very high18 Ų1829.5 Ų29.519%0.18614%0.138CC..  trans71.315.5-17900000113.5E66 W68 K248 R303E66-G70 WeakPolarHBondContact O-CA 3.48Å; W68-G70 VanDerWaalsContact C-N 3.33Å; G70-K248 VanDerWaalsContact O-CE 3.25Å; G70-K248 WeakPolarHBondContact O-CE 3.49Å; G70-K248 WeakPolarHBondContact O-CG 3.25Å; G70-R303 PolarHBondContact O-NH2 3.31Å
71T96.7Very high96.9Very high0 Ų029.7 Ų29.70%014%0.141CC..  trans-57.3140.4-178.3-68.30000110.7L65 S69 Y249 R303L65-T71 HydrophobicContact CD1-CG2 3.69Å; L65-T71 HydrophobicContact CG-CG2 4.07Å; L65-T71 WeakPolarHBondContact O-CB 3.44Å; L65-T71 PolarHBondContact O-N 3.03Å; S69-T71 PolarHBondContact O-N 3.28Å; S69-T71 PolarHBondContact OG-N 3.19Å; S69-T71 PolarHBondContact OG-OG1 3.4Å; T71-Y249 WeakPolarHBondContact CA-O 3.48Å; T71-Y249 WeakPolarHBondContact CG2-O 3.01Å; T71-Y249 PolarHBondContact OG1-N 2.96Å; T71-Y249 VanDerWaalsContact OG1-N 3.16Å; T71-R303 PolarHBondContact O-NH2 3.11Å
72E95.1Very high96.8Very high73 Ų7330.6 Ų30.634%0.34114%0.142SC..EExtended strand (participates in β ladder)trans-108140.1179.6-75.1169.4-167.600110.2K248 Y249 H250 A251E72-K248 VanDerWaalsContact CD-CE 3.48Å; E72-K248 VanDerWaalsContact OE1-CE 3.31Å; E72-K248 WeakPolarHBondContact OE1-CE 3.34Å; E72-K248 IonicContact OE1-NZ 3.54Å; E72-K248 PolarHBondContact OE1-NZ 3.3Å; E72-K248 IonicContact OE2-NZ 3.78Å; E72-K248 PolarHBondContact OE2-NZ 2.74Å; E72-Y249 PolarHBondContact N-O 2.87Å; E72-H250 IonicContact OE2-CD2 2.73Å; E72-H250 IonicContact OE2-NE2 3.49Å; E72-A251 PolarHBondContact O-N 3.23Å
73C95.4Very high96.7Very high4 Ų434.8 Ų34.83%0.02717%0.17CC..EExtended strand (participates in β ladder)trans-122.7108175.2-60.20000108L108 A251C73-L108 HydrophobicContact CB-CD2 4.12Å; C73-A251 CarbonylContact C-O 3.57Å; C73-A251 VanDerWaalsContact CA-O 3.32Å; C73-A251 WeakPolarHBondContact CA-O 3.44Å
74T97.3Very high96.6Very high11 Ų1139.4 Ų39.47%0.06719%0.19CC..EExtended strand (participates in β ladder)trans-92.2131.6173.2-36.70000108.4F76 R233 A251 D252 L253 P298 V300T74-F76 HydrophobicContact CG2-CD2 4.32Å; T74-F76 HydrophobicContact CG2-CE2 3.78Å; T74-F76 HydrophobicContact CG2-CZ 4.22Å; T74-R233 PolarHBondContact OG1-NH2 2.79Å; T74-A251 PolarHBondContact N-O 2.97Å; T74-D252 WeakPolarHBondContact CB-OD1 3.33Å; T74-D252 PolarHBondContact OG1-OD1 3.25Å; T74-L253 PolarHBondContact O-N 2.84Å; T74-P298 HydrophobicContact CG2-CB 3.86Å; T74-V300 HydrophobicContact CG2-CG2 4.14Å
75I97.7Very high96.5Very high1 Ų139.3 Ų39.31%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-97.4132170-59.8178.5000108.3T77 L108 F112 L253 V255 P298 M299 P301I75-T77 HydrophobicContact CG2-CG2 3.81Å; I75-L108 HydrophobicContact CD1-CD1 4.15Å; I75-L108 HydrophobicContact CD1-CD2 3.76Å; I75-L108 HydrophobicContact CG1-CD1 4.09Å; I75-L108 HydrophobicContact CG1-CD2 3.83Å; I75-F112 HydrophobicContact CD1-CE2 3.7Å; I75-F112 HydrophobicContact CD1-CZ 3.7Å; I75-L253 CarbonylContact C-O 3.56Å; I75-L253 WeakPolarHBondContact CA-O 3.45Å; I75-V255 HydrophobicContact CG2-CB 4.31Å; I75-V255 HydrophobicContact CG2-CG2 3.93Å; I75-P298 CarbonylContact O-C 3.59Å; I75-P298 WeakPolarHBondContact O-CA 3.01Å; I75-M299 PolarHBondContact N-O 2.91Å; I75-M299 PolarHBondContact O-N 3.45Å; I75-P301 HydrophobicContact CD1-CG 3.77Å; I75-P301 HydrophobicContact CG1-CG 4.31Å
76F98.1Very high96.3Very high6 Ų639.8 Ų39.83%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-106.1117.5168.3-71.5-98.3000107.7T74 D252 L253 Y254 V255 T293 F294 P295 P298T74-F76 HydrophobicContact CG2-CD2 4.32Å; T74-F76 HydrophobicContact CG2-CE2 3.78Å; T74-F76 HydrophobicContact CG2-CZ 4.22Å; F76-D252 HydrophobicContact CD2-CB 4.16Å; F76-D252 HydrophobicContact CE2-CB 3.64Å; F76-L253 PolarHBondContact N-O 3.18Å; F76-Y254 HydrophobicContact CB-CD2 3.87Å; F76-Y254 CarbonylContact O-C 3.54Å; F76-Y254 WeakPolarHBondContact O-CA 3.23Å; F76-Y254 VanDerWaalsContact O-CD2 3.25Å; F76-Y254 WeakPolarHBondContact O-CD2 3.44Å; F76-V255 PolarHBondContact O-N 3.11Å; F76-T293 WeakPolarHBondContact CE1-OG1 3.34Å; F76-F294 HydrophobicContact CB-CB 3.78Å; F76-F294 HydrophobicContact CD1-CB 3.93Å; F76-F294 WeakPolarHBondContact CD1-O 3.18Å; F76-F294 HydrophobicContact CD2-CB 4.08Å; F76-F294 HydrophobicContact CD2-CD2 4.23Å; F76-F294 HydrophobicContact CG-CB 3.66Å; F76-P295 WeakPolarHBondContact CB-O 3.19Å; F76-P298 HydrophobicContact CD1-CB 4.21Å; F76-P298 HydrophobicContact CE1-CB 3.79Å; F76-P298 HydrophobicContact CE1-CG 4.44Å; F76-P298 HydrophobicContact CZ-CB 4.07Å
77T97.5Very high96.3Very high0 Ų047.3 Ų47.30%023%0.226CC..EExtended strand (participates in β ladder)trans-162.9158.3-172.5-161.40000113I75 P79 Y82 Y85 V255 T297 M299I75-T77 HydrophobicContact CG2-CG2 3.81Å; T77-P79 WeakPolarHBondContact O-CD 3.42Å; T77-Y82 HydrophobicContact CG2-CD2 4.06Å; T77-Y85 HydrophobicContact CG2-CE2 4.01Å; T77-Y85 PolarHBondContact OG1-OH 2.71Å; T77-V255 WeakPolarHBondContact CB-O 3.45Å; T77-V255 PolarHBondContact OG1-O 3.19Å; T77-T297 PolarHBondContact N-O 3.42Å; T77-M299 HydrophobicContact CG2-SD 4.09Å
78D96.6Very high96.3Very high43 Ų4343.6 Ų43.623%0.2321%0.213CC..  trans-61.5121.1169.4-177.9-18.3000109R80 A81 Y82D78-R80 PolarHBondContact O-N 2.81Å; D78-R80 VanDerWaalsContact OD1-CB 3.3Å; D78-R80 WeakPolarHBondContact OD1-CB 3.02Å; D78-R80 WeakPolarHBondContact OD1-CG 3.38Å; D78-R80 PolarHBondContact OD1-N 3.14Å; D78-R80 IonicContact OD1-NE 3.47Å; D78-R80 PolarHBondContact OD1-NE 3.01Å; D78-R80 IonicContact OD2-CZ 3.82Å; D78-R80 IonicContact OD2-NE 3.77Å; D78-R80 PolarHBondContact OD2-NE 2.91Å; D78-R80 IonicContact OD2-NH2 3.33Å; D78-R80 PolarHBondContact OD2-NH2 2.78Å; D78-A81 HydrophobicContact CB-CB 4.42Å; D78-A81 WeakPolarHBondContact O-CB 3.43Å; D78-A81 PolarHBondContact O-N 2.93Å; D78-Y82 PolarHBondContact O-N 3.11Å
79P95.8Very high96.3Very high61 Ų6142.1 Ų42.140%0.39621%0.208SC..THydrogen-bonded Turntrans-54.1-24.9177.5-27.836.3000114.4T77 P83T77-P79 WeakPolarHBondContact O-CD 3.42Å; P79-P83 VanDerWaalsContact O-CD 3.26Å; P79-P83 WeakPolarHBondContact O-CD 3.37Å
80R96Very high96.4Very high199 Ų19941.9 Ų41.975%0.75121%0.207SC*.THydrogen-bonded Turntrans-73.1-27.2176.5-61.4176.4-66.6-178.10.2112.9D78D78-R80 PolarHBondContact O-N 2.81Å; D78-R80 VanDerWaalsContact OD1-CB 3.3Å; D78-R80 WeakPolarHBondContact OD1-CB 3.02Å; D78-R80 WeakPolarHBondContact OD1-CG 3.38Å; D78-R80 PolarHBondContact OD1-N 3.14Å; D78-R80 IonicContact OD1-NE 3.47Å; D78-R80 PolarHBondContact OD1-NE 3.01Å; D78-R80 IonicContact OD2-CZ 3.82Å; D78-R80 IonicContact OD2-NE 3.77Å; D78-R80 PolarHBondContact OD2-NE 2.91Å; D78-R80 IonicContact OD2-NH2 3.33Å; D78-R80 PolarHBondContact OD2-NH2 2.78Å
81A95.8Very high96.5Very high12 Ų1241 Ų4110%0.09920%0.198CC..THydrogen-bonded Turntrans-80.5-32.7176.700000112D78 P83 K84 Y85 R257D78-A81 HydrophobicContact CB-CB 4.42Å; D78-A81 WeakPolarHBondContact O-CB 3.43Å; D78-A81 PolarHBondContact O-N 2.93Å; A81-P83 VanDerWaalsContact C-CD 3.5Å; A81-K84 VanDerWaalsContact O-CB 3.31Å; A81-K84 WeakPolarHBondContact O-CB 3.45Å; A81-K84 PolarHBondContact O-N 3.31Å; A81-Y85 HydrophobicContact CB-CE1 4.36Å; A81-R257 HydrophobicContact CB-CB 3.81Å
82Y95.3Very high96.6Very high50 Ų5041.8 Ų41.820%0.19620%0.203CC..G310 helixtrans-51.1-43.2-173.8-171.7-87.9000115T77 D78 K84 Y85 F112 M299 P301T77-Y82 HydrophobicContact CG2-CD2 4.06Å; D78-Y82 PolarHBondContact O-N 3.11Å; Y82-K84 PolarHBondContact O-N 3.43Å; Y82-K84 VanDerWaalsContact O-N 3.08Å; Y82-Y85 AromaticContact CD2-CD2 3.97Å; Y82-Y85 HydrophobicContact CD2-CD2 3.97Å; Y82-Y85 HydrophobicContact CD2-CE2 4.19Å; Y82-Y85 HydrophobicContact CG-CD2 4.38Å; Y82-Y85 WeakPolarHBondContact O-CB 3.28Å; Y82-Y85 PolarHBondContact O-N 3.17Å; Y82-F112 HydrophobicContact CE1-CE1 4.49Å; Y82-F112 HydrophobicContact CE2-CE1 4.19Å; Y82-F112 AromaticContact CE2-CZ 3.98Å; Y82-F112 HydrophobicContact CE2-CZ 3.98Å; Y82-M299 HydrophobicContact CD1-CE 3.99Å; Y82-M299 HydrophobicContact CD1-SD 4.48Å; Y82-M299 HydrophobicContact CD2-CB 4.47Å; Y82-M299 HydrophobicContact CD2-CE 3.96Å; Y82-M299 HydrophobicContact CD2-SD 3.47Å; Y82-M299 WeakPolarHBondContact CD2-SD 3.17Å; Y82-M299 HydrophobicContact CE1-CE 4.19Å; Y82-M299 HydrophobicContact CE2-CB 4.12Å; Y82-M299 HydrophobicContact CE2-CE 4.15Å; Y82-M299 HydrophobicContact CE2-SD 3.95Å; Y82-M299 HydrophobicContact CG-CE 3.87Å; Y82-M299 HydrophobicContact CG-SD 3.77Å; Y82-P301 WeakPolarHBondContact OH-CA 3.36Å; Y82-P301 WeakPolarHBondContact OH-CB 3.29Å
83P95.8Very high96.8Very high89 Ų8938.3 Ų38.358%0.57819%0.186SC*.G310 helixtrans-62-16.7177.8-25.135.6000115.2P79 A81P79-P83 VanDerWaalsContact O-CD 3.26Å; P79-P83 WeakPolarHBondContact O-CD 3.37Å; A81-P83 VanDerWaalsContact C-CD 3.5Å
84K96.8Very high96.9Very high103 Ų10338.4 Ų38.445%0.44819%0.186SC..G310 helixtrans-81.9-21.1177-58.2-67-175.2170.30112.3A81 Y82 G86 K87 Y226A81-K84 VanDerWaalsContact O-CB 3.31Å; A81-K84 WeakPolarHBondContact O-CB 3.45Å; A81-K84 PolarHBondContact O-N 3.31Å; Y82-K84 PolarHBondContact O-N 3.43Å; Y82-K84 VanDerWaalsContact O-N 3.08Å; K84-G86 PolarHBondContact O-N 3.09Å; K84-K87 PolarHBondContact O-N 2.96Å; K84-Y226 PolarHBondContact O-OH 3.21Å
85Y95.4Very high96.9Very high12 Ų1238 Ų385%0.04718%0.184CC..THydrogen-bonded Turntrans-64.2128.5-179.2-59.1-15.4000110.3T77 A81 Y82 K87 F112 Y226 V255T77-Y85 HydrophobicContact CG2-CE2 4.01Å; T77-Y85 PolarHBondContact OG1-OH 2.71Å; A81-Y85 HydrophobicContact CB-CE1 4.36Å; Y82-Y85 AromaticContact CD2-CD2 3.97Å; Y82-Y85 HydrophobicContact CD2-CD2 3.97Å; Y82-Y85 HydrophobicContact CD2-CE2 4.19Å; Y82-Y85 HydrophobicContact CG-CD2 4.38Å; Y82-Y85 WeakPolarHBondContact O-CB 3.28Å; Y82-Y85 PolarHBondContact O-N 3.17Å; Y85-K87 VanDerWaalsContact C-N 3.3Å; Y85-K87 PolarHBondContact O-N 3.18Å; Y85-F112 HydrophobicContact CD2-CE1 4.27Å; Y85-F112 HydrophobicContact CD2-CE2 4.17Å; Y85-F112 AromaticContact CD2-CZ 3.72Å; Y85-F112 HydrophobicContact CD2-CZ 3.72Å; Y85-F112 HydrophobicContact CG-CE1 4.44Å; Y85-F112 HydrophobicContact CG-CE2 4.44Å; Y85-F112 HydrophobicContact CG-CZ 4.17Å; Y85-Y226 HydrophobicContact CD1-CD2 4.3Å; Y85-Y226 HydrophobicContact CD1-CE1 4.26Å; Y85-Y226 AromaticContact CD1-CE2 3.55Å; Y85-Y226 HydrophobicContact CD1-CE2 3.55Å; Y85-Y226 AromaticContact CD1-CZ 3.52Å; Y85-Y226 HydrophobicContact CE1-CD1 4.41Å; Y85-Y226 HydrophobicContact CE1-CD2 4.33Å; Y85-Y226 HydrophobicContact CE1-CE1 4.03Å; Y85-Y226 AromaticContact CE1-CE2 3.92Å; Y85-Y226 HydrophobicContact CE1-CE2 3.92Å; Y85-Y226 AromaticContact CE1-CZ 3.76Å; Y85-V255 HydrophobicContact CE1-CG1 4.3Å; Y85-V255 HydrophobicContact CE2-CG1 4.3Å; Y85-V255 WeakPolarHBondContact OH-CG1 3.34Å
86G94.5Very high96.9Very high11 Ų1139.3 Ų39.311%0.11319%0.19CC..THydrogen-bonded Turntrans84.4-8.8-174.900000115.9K84K84-G86 PolarHBondContact O-N 3.09Å
87K96.6Very high96.7Very high158 Ų15841 Ų4169%0.68720%0.197SC*.THydrogen-bonded Turntrans-108.4-11.7-172.5-56.7-56.7-177.9-175.60114.4K84 Y85 K168K84-K87 PolarHBondContact O-N 2.96Å; Y85-K87 VanDerWaalsContact C-N 3.3Å; Y85-K87 PolarHBondContact O-N 3.18Å; K87-K168 WeakPolarHBondContact O-CE 3.08Å
88E96.6Very high96.7Very high15 Ų1541.1 Ų41.17%0.0720%0.198CC..SBendtrans-133.1159.6-179.461.3-172.5-151.400111.7S223 Y226 R257E88-S223 WeakPolarHBondContact OE2-CB 3.34Å; E88-Y226 WeakPolarHBondContact CG-OH 3.42Å; E88-Y226 PolarHBondContact OE1-OH 3.5Å; E88-R257 VanDerWaalsContact CD-NH2 3.32Å; E88-R257 IonicContact OE1-CZ 3.02Å; E88-R257 VanDerWaalsContact OE1-CZ 3.23Å; E88-R257 IonicContact OE1-NE 3.23Å; E88-R257 PolarHBondContact OE1-NE 3.26Å; E88-R257 IonicContact OE1-NH2 2.79Å; E88-R257 PolarHBondContact OE1-NH2 3.48Å; E88-R257 IonicContact OE2-CZ 3.24Å; E88-R257 IonicContact OE2-NE 3.78Å; E88-R257 IonicContact OE2-NH2 2.98Å; E88-R257 PolarHBondContact OE2-NH2 3.32Å
89N97.8Very high96.6Very high14 Ų1439.9 Ų39.98%0.07519%0.19CC..  trans-78.3134.2168-66.1-31000107.7K168 Y169 V222 S223N89-K168 WeakPolarHBondContact OD1-CA 2.96Å; N89-K168 WeakPolarHBondContact OD1-CD 3.42Å; N89-Y169 WeakPolarHBondContact CA-O 3.46Å; N89-Y169 HydrophobicContact CB-CE1 4.33Å; N89-Y169 WeakPolarHBondContact OD1-CD1 3.23Å; N89-Y169 PolarHBondContact OD1-N 3.47Å; N89-V222 HydrophobicContact CB-CB 4.39Å; N89-V222 HydrophobicContact CB-CG1 3.89Å; N89-V222 CarbonylContact O-C 3.57Å; N89-V222 VanDerWaalsContact O-CA 3.29Å; N89-V222 WeakPolarHBondContact O-CA 2.99Å; N89-V222 WeakPolarHBondContact O-CB 3.1Å; N89-S223 PolarHBondContact O-N 2.85Å
90A98Very high96.6Very high0 Ų037 Ų370%017%0.172CC..EExtended strand (participates in β ladder)trans-140.4148.9-178.200000111.4Y169 F170 F171 A224 Y226A90-Y169 PolarHBondContact N-O 2.85Å; A90-F170 HydrophobicContact CB-CD1 3.97Å; A90-F170 HydrophobicContact CB-CE1 4.13Å; A90-F170 WeakPolarHBondContact O-CA 3.22Å; A90-F171 PolarHBondContact O-N 3.22Å; A90-A224 WeakPolarHBondContact CA-O 3.41Å; A90-Y226 HydrophobicContact CB-CD1 4.24Å; A90-Y226 HydrophobicContact CB-CD2 3.85Å; A90-Y226 HydrophobicContact CB-CE1 4.15Å; A90-Y226 HydrophobicContact CB-CE2 3.77Å; A90-Y226 HydrophobicContact CB-CG 4.09Å
91I98.6Very high96.6Very high0 Ų027.5 Ų27.50%014%0.136CC..EExtended strand (participates in β ladder)trans-86.2130.3164.7-65.1162.3000106.9V93 F171 I173 F211 T214 V215 L218 V222 A224 V225 Y226 L260I91-V93 HydrophobicContact CG2-CG2 4.42Å; I91-F171 CarbonylContact C-O 3.59Å; I91-F171 WeakPolarHBondContact CA-O 3.44Å; I91-I173 HydrophobicContact CG2-CG2 3.98Å; I91-F211 HydrophobicContact CG2-CE2 4.39Å; I91-T214 HydrophobicContact CD1-CG2 3.81Å; I91-T214 HydrophobicContact CG1-CG2 3.97Å; I91-T214 HydrophobicContact CG2-CG2 4.34Å; I91-V215 HydrophobicContact CD1-CG2 4.06Å; I91-L218 HydrophobicContact CD1-CB 4.46Å; I91-L218 HydrophobicContact CD1-CD1 4.34Å; I91-L218 HydrophobicContact CG1-CD1 4Å; I91-V222 HydrophobicContact CD1-CG2 3.94Å; I91-V222 HydrophobicContact CG1-CG1 4.44Å; I91-V222 HydrophobicContact CG1-CG2 4.12Å; I91-A224 PolarHBondContact N-O 3.33Å; I91-V225 HydrophobicContact CB-CG2 4Å; I91-V225 HydrophobicContact CD1-CG2 4.42Å; I91-V225 HydrophobicContact CG2-CG2 4.27Å; I91-V225 CarbonylContact O-C 3.58Å; I91-V225 VanDerWaalsContact O-CA 3.28Å; I91-V225 WeakPolarHBondContact O-CA 3.48Å; I91-Y226 PolarHBondContact O-N 3.44Å; I91-L260 HydrophobicContact CD1-CD1 4.31Å
92V98.6Very high96.6Very high16 Ų1629 Ų2910%0.09714%0.141CC..EExtended strand (participates in β ladder)trans-107.5119.3177.6178.80000108.7F170 F171 L172 I173 Y226 C228V92-F170 HydrophobicContact CG2-CB 3.78Å; V92-F170 HydrophobicContact CG2-CD1 4.46Å; V92-F170 HydrophobicContact CG2-CD2 4.35Å; V92-F170 HydrophobicContact CG2-CG 3.97Å; V92-F171 PolarHBondContact N-O 3.32Å; V92-L172 HydrophobicContact CB-CD1 4.24Å; V92-L172 HydrophobicContact CG1-CD1 3.92Å; V92-L172 WeakPolarHBondContact O-CA 3.47Å; V92-I173 PolarHBondContact O-N 2.91Å; V92-Y226 WeakPolarHBondContact CA-O 3.16Å; V92-Y226 HydrophobicContact CG2-CD2 4.48Å; V92-C228 HydrophobicContact CG1-CB 4.31Å
93V98.6Very high96.7Very high0 Ų026.7 Ų26.70%013%0.131CC..EExtended strand (participates in β ladder)trans-101.5108.2173.5179.90000108.2I91 I173 F211 V225 Y226 C228 L277 Y278I91-V93 HydrophobicContact CG2-CG2 4.42Å; V93-I173 WeakPolarHBondContact CA-O 3.5Å; V93-I173 HydrophobicContact CG2-CG2 4.03Å; V93-F211 HydrophobicContact CG2-CD2 4.04Å; V93-F211 HydrophobicContact CG2-CE2 3.67Å; V93-V225 HydrophobicContact CG2-CG1 3.83Å; V93-Y226 PolarHBondContact N-O 3.09Å; V93-C228 WeakPolarHBondContact O-CA 3.41Å; V93-C228 PolarHBondContact O-N 2.88Å; V93-C228 VanDerWaalsContact O-O 3.12Å; V93-L277 HydrophobicContact CG1-CD2 4.32Å; V93-Y278 HydrophobicContact CG1-CE2 4.1Å
94L98.4Very high96.8Very high5 Ų522.7 Ų22.73%0.02611%0.106CC..EExtended strand (participates in β ladder)trans-114.5135.3-177.4-173.258.6000110D101 L172 I173 H174 C228 L230 L253L94-D101 HydrophobicContact CD2-CB 4.44Å; L94-L172 HydrophobicContact CB-CD1 3.58Å; L94-L172 HydrophobicContact CD2-CD1 4.13Å; L94-I173 PolarHBondContact N-O 3.42Å; L94-H174 PolarHBondContact O-ND1 2.99Å; L94-C228 WeakPolarHBondContact CA-O 3.34Å; L94-C228 HydrophobicContact CB-CB 4.45Å; L94-C228 HydrophobicContact CD1-CB 3.62Å; L94-L230 HydrophobicContact CD1-CB 3.93Å; L94-L253 HydrophobicContact CD1-CD1 3.7Å
95N97.5Very high96.8Very high2 Ų218.8 Ų18.81%0.0119%0.094CC..  trans-58.4152.9167.264.5-51.5000110.2H174 E176 H203 C228 T229 L230N95-H174 PolarHBondContact O-ND1 3.14Å; N95-E176 WeakPolarHBondContact CA-OE1 3.26Å; N95-E176 WeakPolarHBondContact CB-OE1 3.12Å; N95-H203 VanDerWaalsContact CB-CE1 3.42Å; N95-H203 WeakPolarHBondContact CB-CE1 3.19Å; N95-C228 PolarHBondContact N-O 3.12Å; N95-T229 WeakPolarHBondContact OD1-CA 3.48Å; N95-L230 PolarHBondContact ND2-O 2.83Å; N95-L230 PolarHBondContact OD1-N 3.18Å
96H96Very high96.9Very high30 Ų3019.5 Ų19.514%0.13910%0.097CC..  trans-124.697.6-175.3-15921.6000109.8D101 H174 E176 T178 R179 F180H96-D101 WeakPolarHBondContact CA-OD2 3.45Å; H96-D101 IonicContact CE1-OD2 2.87Å; H96-D101 IonicContact CG-OD2 3.48Å; H96-D101 IonicContact ND1-OD2 3.85Å; H96-D101 PolarHBondContact ND1-OD2 3Å; H96-H174 HydrophobicContact CB-CB 3.95Å; H96-H174 AromaticContact CD2-CG 3.96Å; H96-H174 AromaticContact CG-CG 3.75Å; H96-H174 AromaticContact CG-ND1 3.73Å; H96-H174 AromaticContact ND1-CE1 3.78Å; H96-H174 AromaticContact ND1-ND1 3.94Å; H96-H174 AromaticContact ND1-NE2 3.96Å; H96-E176 PolarHBondContact N-OE1 3.42Å; H96-T178 VanDerWaalsContact CD2-C 3.44Å; H96-R179 PolarHBondContact CD2-N 3.25Å; H96-R179 WeakPolarHBondContact CE1-CG 3.36Å; H96-R179 PolarHBondContact CE1-NE 2.85Å; H96-R179 WeakPolarHBondContact ND1-CG 3.39Å; H96-R179 WeakPolarHBondContact NE2-CG 3.45Å; H96-R179 CarbonylContact O-C 3.52Å; H96-R179 VanDerWaalsContact O-CA 3.25Å; H96-R179 WeakPolarHBondContact O-CA 3.25Å; H96-F180 PolarHBondContact O-N 3.03Å
97K95.1Very high97Very high40 Ų4019 Ų1917%0.1749%0.091CC..  trans-132.7-47.8-174.7179.3168.3177.41680111.6D101 F180 Y289K97-D101 PolarHBondContact N-OD2 2.81Å; K97-F180 HydrophobicContact CB-CB 4.19Å; K97-F180 HydrophobicContact CG-CB 4.22Å; K97-Y289 PolarHBondContact NZ-OH 2.79Å
98F96.1Very high97Very high4 Ų412.3 Ų12.32%0.0186%0.063CC..SBendtrans-96159.1-170.4-48.3-79.4000112I100 D101 R179 L230 N231 F232 P238F98-I100 VanDerWaalsContact C-N 3.29Å; F98-I100 PolarHBondContact O-N 3.46Å; F98-D101 WeakPolarHBondContact CA-OD1 3.39Å; F98-D101 WeakPolarHBondContact CB-OD1 3.47Å; F98-D101 WeakPolarHBondContact CD2-OD1 3.47Å; F98-D101 PolarHBondContact N-OD1 3.09Å; F98-D101 PolarHBondContact N-OD2 3.46Å; F98-D101 VanDerWaalsContact N-OD2 3.17Å; F98-D101 VanDerWaalsContact O-OD2 3.09Å; F98-R179 WeakPolarHBondContact O-CD 3.48Å; F98-R179 PolarHBondContact O-NE 3.36Å; F98-L230 HydrophobicContact CD2-CD2 4.46Å; F98-L230 HydrophobicContact CD2-CG 4.45Å; F98-N231 WeakPolarHBondContact CZ-OD1 3.14Å; F98-F232 HydrophobicContact CB-CD2 4.4Å; F98-F232 HydrophobicContact CB-CE2 4.02Å; F98-F232 AromaticContact CD1-CD2 4Å; F98-F232 HydrophobicContact CD1-CD2 4Å; F98-F232 HydrophobicContact CD1-CE2 4.46Å; F98-F232 AromaticContact CD2-CD2 3.59Å; F98-F232 HydrophobicContact CD2-CD2 3.59Å; F98-F232 AromaticContact CD2-CE2 3.65Å; F98-F232 HydrophobicContact CD2-CE2 3.65Å; F98-F232 HydrophobicContact CE1-CD2 4.1Å; F98-F232 AromaticContact CE2-CD2 3.76Å; F98-F232 HydrophobicContact CE2-CD2 3.76Å; F98-F232 HydrophobicContact CE2-CE2 4.23Å; F98-F232 AromaticContact CG-CD2 3.71Å; F98-F232 HydrophobicContact CG-CD2 3.71Å; F98-F232 AromaticContact CG-CE2 3.77Å; F98-F232 HydrophobicContact CG-CE2 3.77Å; F98-F232 AromaticContact CZ-CD2 3.99Å; F98-F232 HydrophobicContact CZ-CD2 3.99Å; F98-P238 HydrophobicContact CB-CG 4Å; F98-P238 HydrophobicContact CD1-CG 4.35Å; F98-P238 HydrophobicContact CG-CG 4.33Å
99E95.2Very high97Very high16 Ų1612 Ų128%0.0756%0.062CC..THydrogen-bonded Turntrans-61.3-43.6178.9-157.5-165.8126.900110.8F102 R179 P238 T239 L240 T359E99-F102 WeakPolarHBondContact O-CD1 3.42Å; E99-F102 WeakPolarHBondContact O-CE1 3.34Å; E99-R179 PolarHBondContact O-NH2 2.85Å; E99-P238 WeakPolarHBondContact CB-O 3.15Å; E99-T239 VanDerWaalsContact OE2-CA 3.3Å; E99-T239 WeakPolarHBondContact OE2-CA 3.36Å; E99-T239 WeakPolarHBondContact OE2-CB 3.38Å; E99-T239 WeakPolarHBondContact OE2-CG2 3.27Å; E99-L240 WeakPolarHBondContact OE1-CB 3.27Å; E99-L240 PolarHBondContact OE1-N 2.95Å; E99-T359 WeakPolarHBondContact CG-O 3.48Å; E99-T359 PolarHBondContact OE1-OG1 3.46Å
100I96.4Very high97Very high0 Ų011.3 Ų11.30%06%0.059CC..THydrogen-bonded Turntrans-95.918.4-173.267.3160.6000114.4L65 F98 F102 L103 C104 F232 P238 L240 V243L65-I100 HydrophobicContact CD1-CD1 4.13Å; F98-I100 VanDerWaalsContact C-N 3.29Å; F98-I100 PolarHBondContact O-N 3.46Å; I100-F102 PolarHBondContact O-N 3.16Å; I100-L103 HydrophobicContact CB-CB 4.16Å; I100-L103 WeakPolarHBondContact O-CB 3.42Å; I100-L103 PolarHBondContact O-N 3.3Å; I100-C104 PolarHBondContact O-N 2.93Å; I100-C104 VanDerWaalsContact O-N 3.08Å; I100-F232 HydrophobicContact CD1-CE1 4.08Å; I100-F232 HydrophobicContact CD1-CZ 3.86Å; I100-F232 HydrophobicContact CG1-CZ 3.94Å; I100-P238 HydrophobicContact CD1-CB 3.52Å; I100-P238 HydrophobicContact CD1-CG 3.86Å; I100-P238 HydrophobicContact CG1-CB 3.67Å; I100-P238 HydrophobicContact CG1-CG 3.57Å; I100-L240 HydrophobicContact CG2-CB 4.28Å; I100-V243 HydrophobicContact CD1-CG2 4.21Å
101D96.6Very high97Very high0 Ų012.3 Ų12.30%06%0.063CC..Hα-helixtrans-47.4-47.5176.1-66.3-20.6000111.5L94 H96 K97 F98 L103 C104 G105 L230L94-D101 HydrophobicContact CD2-CB 4.44Å; H96-D101 WeakPolarHBondContact CA-OD2 3.45Å; H96-D101 IonicContact CE1-OD2 2.87Å; H96-D101 IonicContact CG-OD2 3.48Å; H96-D101 IonicContact ND1-OD2 3.85Å; H96-D101 PolarHBondContact ND1-OD2 3Å; K97-D101 PolarHBondContact N-OD2 2.81Å; F98-D101 WeakPolarHBondContact CA-OD1 3.39Å; F98-D101 WeakPolarHBondContact CB-OD1 3.47Å; F98-D101 WeakPolarHBondContact CD2-OD1 3.47Å; F98-D101 PolarHBondContact N-OD1 3.09Å; F98-D101 PolarHBondContact N-OD2 3.46Å; F98-D101 VanDerWaalsContact N-OD2 3.17Å; F98-D101 VanDerWaalsContact O-OD2 3.09Å; D101-L103 VanDerWaalsContact C-N 3.3Å; D101-L103 PolarHBondContact O-N 3.4Å; D101-C104 PolarHBondContact O-N 3.23Å; D101-G105 PolarHBondContact O-N 3.31Å; D101-L230 HydrophobicContact CB-CD2 4.24Å
102F95.1Very high96.9Very high45 Ų4514 Ų1420%0.1977%0.07CC..Hα-helixtrans-63-35.9-179.474.5-85.7000112.4E99 I100 G105 W106 T359E99-F102 WeakPolarHBondContact O-CD1 3.42Å; E99-F102 WeakPolarHBondContact O-CE1 3.34Å; I100-F102 PolarHBondContact O-N 3.16Å; F102-G105 PolarHBondContact O-N 2.74Å; F102-W106 HydrophobicContact CD2-CD2 4.41Å; F102-W106 HydrophobicContact CD2-CE3 4.2Å; F102-W106 HydrophobicContact CD2-CH2 4.44Å; F102-W106 HydrophobicContact CD2-CZ3 4.21Å; F102-W106 HydrophobicContact CE2-CE3 4.38Å; F102-W106 HydrophobicContact CE2-CZ3 4.16Å; F102-W106 PolarHBondContact O-N 3.23Å; F102-T359 HydrophobicContact CE1-CG2 4.03Å; F102-T359 HydrophobicContact CZ-CG2 4.09Å
103L97.1Very high96.8Very high0 Ų015.1 Ų15.10%09%0.085CC..Hα-helixtrans-75.4-35.9-176.4-165.956.1000110.9L61 L65 I100 D101 W106 S107 L240L61-L103 HydrophobicContact CB-CD1 3.78Å; L65-L103 HydrophobicContact CB-CD2 3.95Å; L65-L103 HydrophobicContact CB-CG 4.01Å; L65-L103 HydrophobicContact CD1-CD2 4.07Å; L65-L103 HydrophobicContact CD1-CG 4.38Å; L65-L103 HydrophobicContact CD2-CB 4.44Å; L65-L103 HydrophobicContact CD2-CD2 4.42Å; L65-L103 HydrophobicContact CD2-CG 3.84Å; L65-L103 HydrophobicContact CG-CD2 4.36Å; L65-L103 HydrophobicContact CG-CG 4.28Å; I100-L103 HydrophobicContact CB-CB 4.16Å; I100-L103 WeakPolarHBondContact O-CB 3.42Å; I100-L103 PolarHBondContact O-N 3.3Å; D101-L103 VanDerWaalsContact C-N 3.3Å; D101-L103 PolarHBondContact O-N 3.4Å; L103-W106 HydrophobicContact CD1-CE3 4.18Å; L103-W106 PolarHBondContact O-N 3.45Å; L103-S107 WeakPolarHBondContact O-CB 3.34Å; L103-S107 PolarHBondContact O-N 3.4Å; L103-L240 HydrophobicContact CD2-CD1 3.98Å
104C97.6Very high96.7Very high6 Ų615.6 Ų15.64%0.0419%0.087CC..Hα-helixtrans-63.6-42.7168.3-68.60000111.5I100 D101 W106 S107 L108 L230 F232I100-C104 PolarHBondContact O-N 2.93Å; I100-C104 VanDerWaalsContact O-N 3.08Å; D101-C104 PolarHBondContact O-N 3.23Å; C104-W106 VanDerWaalsContact C-N 3.34Å; C104-W106 PolarHBondContact O-N 3.44Å; C104-S107 WeakPolarHBondContact O-CB 3.21Å; C104-S107 PolarHBondContact O-N 3.1Å; C104-L108 PolarHBondContact O-N 2.93Å; C104-L230 HydrophobicContact CB-CD1 4.37Å; C104-L230 HydrophobicContact CB-CD2 4.05Å; C104-F232 VanDerWaalsContact SG-CZ 3.59Å
105G96.8Very high96.6Very high20 Ų2015.6 Ų15.621%0.2069%0.087CC..Hα-helixtrans-60.6-39.8173.400000113.4D101 F102 L108 S109D101-G105 PolarHBondContact O-N 3.31Å; F102-G105 PolarHBondContact O-N 2.74Å; G105-L108 PolarHBondContact O-N 3.36Å; G105-S109 WeakPolarHBondContact O-CB 3.43Å; G105-S109 PolarHBondContact O-N 3.3Å; G105-S109 PolarHBondContact O-OG 2.99Å
106W97.8Very high96.6Very high28 Ų2815.9 Ų15.911%0.1069%0.09CC..Hα-helixtrans-68.9-39.3174.1-77.5-1.5000113.2L61 V62 F102 L103 C104 L108 S109 E110 L115 W136L61-W106 HydrophobicContact CB-CZ3 4.49Å; L61-W106 HydrophobicContact CD1-CZ3 3.77Å; V62-W106 HydrophobicContact CG2-CB 3.77Å; F102-W106 HydrophobicContact CD2-CD2 4.41Å; F102-W106 HydrophobicContact CD2-CE3 4.2Å; F102-W106 HydrophobicContact CD2-CH2 4.44Å; F102-W106 HydrophobicContact CD2-CZ3 4.21Å; F102-W106 HydrophobicContact CE2-CE3 4.38Å; F102-W106 HydrophobicContact CE2-CZ3 4.16Å; F102-W106 PolarHBondContact O-N 3.23Å; L103-W106 HydrophobicContact CD1-CE3 4.18Å; L103-W106 PolarHBondContact O-N 3.45Å; C104-W106 VanDerWaalsContact C-N 3.34Å; C104-W106 PolarHBondContact O-N 3.44Å; W106-L108 VanDerWaalsContact C-N 3.32Å; W106-L108 PolarHBondContact O-N 2.92Å; W106-S109 CarbonylContact O-C 3.48Å; W106-S109 WeakPolarHBondContact O-CB 3.5Å; W106-S109 PolarHBondContact O-N 3.42Å; W106-E110 WeakPolarHBondContact O-CB 3.48Å; W106-E110 PolarHBondContact O-N 3.43Å; W106-L115 HydrophobicContact CB-CD1 3.65Å; W106-L115 HydrophobicContact CD2-CD1 4.26Å; W106-L115 HydrophobicContact CG-CD1 3.75Å; W106-W136 HydrophobicContact CH2-CZ2 4.49Å; W106-W136 HydrophobicContact CZ2-CZ2 4.09Å
107S97.7Very high96.4Very high0 Ų014.5 Ų14.50%09%0.085CC..Hα-helixtrans-56.4-45.8172.1166.70000111.6E66 L103 C104 E110 R111E66-S107 PolarHBondContact OE1-OG 2.94Å; L103-S107 WeakPolarHBondContact O-CB 3.34Å; L103-S107 PolarHBondContact O-N 3.4Å; C104-S107 WeakPolarHBondContact O-CB 3.21Å; C104-S107 PolarHBondContact O-N 3.1Å; S107-E110 WeakPolarHBondContact O-CB 3.38Å; S107-E110 PolarHBondContact O-N 2.81Å; S107-R111 WeakPolarHBondContact O-CG 3.2Å; S107-R111 PolarHBondContact O-N 2.84Å; S107-R111 VanDerWaalsContact O-N 3.08Å
108L96.1Very high96.5Very high17 Ų1713.2 Ų13.29%0.0898%0.081CC..Hα-helixtrans-67-41.7175.1-64.5-172.7000112.7C73 I75 C104 G105 W106 E110 R111 F112 L253 P301C73-L108 HydrophobicContact CB-CD2 4.12Å; I75-L108 HydrophobicContact CD1-CD1 4.15Å; I75-L108 HydrophobicContact CD1-CD2 3.76Å; I75-L108 HydrophobicContact CG1-CD1 4.09Å; I75-L108 HydrophobicContact CG1-CD2 3.83Å; C104-L108 PolarHBondContact O-N 2.93Å; G105-L108 PolarHBondContact O-N 3.36Å; W106-L108 VanDerWaalsContact C-N 3.32Å; W106-L108 PolarHBondContact O-N 2.92Å; L108-E110 PolarHBondContact O-N 3.37Å; L108-R111 PolarHBondContact O-N 2.9Å; L108-F112 WeakPolarHBondContact O-CD2 3.43Å; L108-F112 PolarHBondContact O-N 3.01Å; L108-F112 VanDerWaalsContact O-N 3.09Å; L108-L253 HydrophobicContact CD1-CB 4.37Å; L108-L253 HydrophobicContact CD1-CD2 3.11Å; L108-L253 HydrophobicContact CD1-CG 4.31Å; L108-P301 HydrophobicContact CD2-CG 4.2Å
109S97Very high96.6Very high8 Ų813.2 Ų13.26%0.0568%0.081CC..Hα-helixtrans-58-39174.7-57.30000111.4G105 W106 F112 G113 L114 L115 S118G105-S109 WeakPolarHBondContact O-CB 3.43Å; G105-S109 PolarHBondContact O-N 3.3Å; G105-S109 PolarHBondContact O-OG 2.99Å; W106-S109 CarbonylContact O-C 3.48Å; W106-S109 WeakPolarHBondContact O-CB 3.5Å; W106-S109 PolarHBondContact O-N 3.42Å; S109-F112 PolarHBondContact O-N 2.92Å; S109-G113 PolarHBondContact O-N 2.81Å; S109-G113 VanDerWaalsContact O-N 3.11Å; S109-L114 PolarHBondContact O-N 3Å; S109-L115 PolarHBondContact O-N 3.43Å; S109-S118 VanDerWaalsContact CB-OG 3.25Å; S109-S118 WeakPolarHBondContact CB-OG 3.18Å; S109-S118 PolarHBondContact OG-OG 3.34Å; S109-S118 VanDerWaalsContact OG-OG 3.09Å
110E97.9Very high96.6Very high0 Ų013.4 Ų13.40%08%0.083CC..Hα-helixtrans-60.3-52.3174.6171.555.3-151.100111Y55 V62 W106 S107 L108 F112 G113 L115 R304 T307Y55-E110 WeakPolarHBondContact CE2-OE2 3.35Å; Y55-E110 PolarHBondContact OH-OE1 3.27Å; Y55-E110 PolarHBondContact OH-OE2 3.05Å; V62-E110 HydrophobicContact CG1-CB 3.99Å; V62-E110 HydrophobicContact CG1-CG 4.16Å; W106-E110 WeakPolarHBondContact O-CB 3.48Å; W106-E110 PolarHBondContact O-N 3.43Å; S107-E110 WeakPolarHBondContact O-CB 3.38Å; S107-E110 PolarHBondContact O-N 2.81Å; L108-E110 PolarHBondContact O-N 3.37Å; E110-F112 PolarHBondContact O-N 2.81Å; E110-F112 VanDerWaalsContact O-N 3.17Å; E110-G113 PolarHBondContact O-N 2.72Å; E110-L115 HydrophobicContact CB-CB 4.29Å; E110-L115 HydrophobicContact CB-CD2 4.26Å; E110-L115 WeakPolarHBondContact OE2-CD2 3.48Å; E110-R304 WeakPolarHBondContact O-CD 3.3Å; E110-R304 PolarHBondContact O-NH1 3.12Å; E110-R304 WeakPolarHBondContact OE1-CB 3.16Å; E110-R304 IonicContact OE1-CZ 2.74Å; E110-R304 IonicContact OE1-NE 3.52Å; E110-R304 IonicContact OE1-NH1 3.49Å; E110-R304 PolarHBondContact OE1-NH1 2.97Å; E110-R304 IonicContact OE2-NH1 3.35Å; E110-T307 VanDerWaalsContact CD-CG2 3.46Å; E110-T307 HydrophobicContact CG-CG2 3.55Å
111R96.4Very high96.7Very high21 Ų2115.1 Ų15.18%0.0799%0.092CC..Hα-helixtrans-60.9-27.8-177.1-66.4-180-171.7-141.15.6113E66 S107 L108 P301E66-R111 IonicContact OE1-CZ 2.7Å; E66-R111 IonicContact OE1-NE 2.96Å; E66-R111 PolarHBondContact OE1-NE 2.88Å; E66-R111 IonicContact OE1-NH2 3.52Å; E66-R111 PolarHBondContact OE1-NH2 3.36Å; S107-R111 WeakPolarHBondContact O-CG 3.2Å; S107-R111 PolarHBondContact O-N 2.84Å; S107-R111 VanDerWaalsContact O-N 3.08Å; L108-R111 PolarHBondContact O-N 2.9Å; R111-P301 HydrophobicContact CB-CB 3.96Å; R111-P301 HydrophobicContact CB-CG 4.27Å; R111-P301 WeakPolarHBondContact CD-O 3.26Å; R111-P301 HydrophobicContact CG-CB 4.46Å; R111-P301 PolarHBondContact NH1-O 3.49Å
112F96.3Very high96.5Very high36 Ų3615.4 Ų15.416%0.1589%0.094CC..THydrogen-bonded Turntrans-95.23.7174.8-64.2-59.5000115I75 Y82 Y85 L108 S109 E110 P301I75-F112 HydrophobicContact CD1-CE2 3.7Å; I75-F112 HydrophobicContact CD1-CZ 3.7Å; Y82-F112 HydrophobicContact CE1-CE1 4.49Å; Y82-F112 HydrophobicContact CE2-CE1 4.19Å; Y82-F112 AromaticContact CE2-CZ 3.98Å; Y82-F112 HydrophobicContact CE2-CZ 3.98Å; Y85-F112 HydrophobicContact CD2-CE1 4.27Å; Y85-F112 HydrophobicContact CD2-CE2 4.17Å; Y85-F112 AromaticContact CD2-CZ 3.72Å; Y85-F112 HydrophobicContact CD2-CZ 3.72Å; Y85-F112 HydrophobicContact CG-CE1 4.44Å; Y85-F112 HydrophobicContact CG-CE2 4.44Å; Y85-F112 HydrophobicContact CG-CZ 4.17Å; L108-F112 WeakPolarHBondContact O-CD2 3.43Å; L108-F112 PolarHBondContact O-N 3.01Å; L108-F112 VanDerWaalsContact O-N 3.09Å; S109-F112 PolarHBondContact O-N 2.92Å; E110-F112 PolarHBondContact O-N 2.81Å; E110-F112 VanDerWaalsContact O-N 3.17Å; F112-P301 HydrophobicContact CZ-CB 4.37Å; F112-P301 HydrophobicContact CZ-CG 4.49Å
113G96.3Very high96.3Very high39 Ų3916.1 Ų16.140%0.40210%0.097SC..THydrogen-bonded Turntrans81.317.1175.600000115.9S109 E110S109-G113 PolarHBondContact O-N 2.81Å; S109-G113 VanDerWaalsContact O-N 3.11Å; E110-G113 PolarHBondContact O-N 2.72Å
114L96.6Very high96.1Very high10 Ų1020.4 Ų20.45%0.05212%0.116CC..  trans-111.5-4-172.3-62.2-179.8000114.8S109 G116 G117 S118 K168 F170S109-L114 PolarHBondContact O-N 3Å; L114-G116 PolarHBondContact O-N 2.85Å; L114-G116 VanDerWaalsContact O-N 3.16Å; L114-G117 CarbonylContact O-C 3.46Å; L114-G117 WeakPolarHBondContact O-CA 3.28Å; L114-G117 PolarHBondContact O-N 2.92Å; L114-S118 PolarHBondContact O-N 3.29Å; L114-S118 PolarHBondContact O-OG 3.09Å; L114-K168 HydrophobicContact CD2-CB 3.43Å; L114-K168 VanDerWaalsContact CD2-CB 3.43Å; L114-K168 WeakPolarHBondContact CD2-O 3.34Å; L114-F170 HydrophobicContact CD1-CD1 3.62Å; L114-F170 HydrophobicContact CD1-CD2 3.84Å; L114-F170 HydrophobicContact CD1-CE1 3.36Å; L114-F170 HydrophobicContact CD1-CE2 3.61Å; L114-F170 HydrophobicContact CD1-CG 3.86Å; L114-F170 HydrophobicContact CD1-CZ 3.37Å
115L97.9Very high95.8Very high5 Ų524.6 Ų24.63%0.02614%0.135CC..G310 helixtrans-48.8-48.5-170.317862.8000114.5Y55 S58 V62 W106 S109 E110 G117 S118Y55-L115 HydrophobicContact CD2-CB 4.06Å; Y55-L115 HydrophobicContact CD2-CD2 4.1Å; Y55-L115 HydrophobicContact CD2-CG 4.31Å; Y55-L115 HydrophobicContact CE2-CB 4.2Å; Y55-L115 HydrophobicContact CE2-CD2 4.05Å; S58-L115 WeakPolarHBondContact OG-CG 3.33Å; V62-L115 HydrophobicContact CG2-CD1 4.05Å; V62-L115 HydrophobicContact CG2-CD2 3.89Å; W106-L115 HydrophobicContact CB-CD1 3.65Å; W106-L115 HydrophobicContact CD2-CD1 4.26Å; W106-L115 HydrophobicContact CG-CD1 3.75Å; S109-L115 PolarHBondContact O-N 3.43Å; E110-L115 HydrophobicContact CB-CB 4.29Å; E110-L115 HydrophobicContact CB-CD2 4.26Å; E110-L115 WeakPolarHBondContact OE2-CD2 3.48Å; L115-G117 VanDerWaalsContact C-N 3.25Å; L115-G117 PolarHBondContact O-N 2.88Å; L115-S118 WeakPolarHBondContact O-CB 3.42Å; L115-S118 PolarHBondContact O-N 3.46Å
116G95.7Very high95.5Very high8 Ų826 Ų268%0.08214%0.137CC..G310 helixtrans-69.1-23.1179.800000114.1C51 L114C51-G116 WeakPolarHBondContact O-CA 3.46Å; C51-G116 PolarHBondContact SG-O 2.9Å; C51-G116 VanDerWaalsContact SG-O 3.4Å; L114-G116 PolarHBondContact O-N 2.85Å; L114-G116 VanDerWaalsContact O-N 3.16Å
117G93.3Very high95.3Very high2 Ų225.8 Ų25.82%0.02114%0.141CC..G310 helixtrans-89.1-16.7177.800000113.4C51 L114 L115 K119 Y169C51-G117 PolarHBondContact SG-N 3.13Å; L114-G117 CarbonylContact O-C 3.46Å; L114-G117 WeakPolarHBondContact O-CA 3.28Å; L114-G117 PolarHBondContact O-N 2.92Å; L115-G117 VanDerWaalsContact C-N 3.25Å; L115-G117 PolarHBondContact O-N 2.88Å; G117-K119 WeakPolarHBondContact O-CE 3.31Å; G117-K119 WeakPolarHBondContact O-CG 3.42Å; G117-K119 PolarHBondContact O-N 2.7Å; G117-Y169 WeakPolarHBondContact O-CB 3.42Å
118S96.3Very high95.1Very high13 Ų1333.3 Ų33.39%0.09117%0.171CC..  trans-54.5133.7-176.1-64.60000112.6S109 L114 L115S109-S118 VanDerWaalsContact CB-OG 3.25Å; S109-S118 WeakPolarHBondContact CB-OG 3.18Å; S109-S118 PolarHBondContact OG-OG 3.34Å; S109-S118 VanDerWaalsContact OG-OG 3.09Å; L114-S118 PolarHBondContact O-N 3.29Å; L114-S118 PolarHBondContact O-OG 3.09Å; L115-S118 WeakPolarHBondContact O-CB 3.42Å; L115-S118 PolarHBondContact O-N 3.46Å
119K97.7Very high94.9Very high3 Ų333.1 Ų33.11%0.01317%0.17CC..EExtended strand (participates in β ladder)trans-120.8156.9-180-53.5-58.3175.5-161.80109.9G117 T139 M141 L162 Y165 Y169 F170 F171 L172G117-K119 WeakPolarHBondContact O-CE 3.31Å; G117-K119 WeakPolarHBondContact O-CG 3.42Å; G117-K119 PolarHBondContact O-N 2.7Å; K119-T139 PolarHBondContact NZ-O 2.96Å; K119-M141 HydrophobicContact CB-SD 4.28Å; K119-M141 HydrophobicContact CD-SD 4.46Å; K119-L162 HydrophobicContact CB-CD1 4.41Å; K119-L162 HydrophobicContact CD-CD2 4.24Å; K119-L162 HydrophobicContact CG-CD1 4.07Å; K119-L162 HydrophobicContact CG-CD2 4.36Å; K119-Y165 PolarHBondContact NZ-OH 2.89Å; K119-Y169 HydrophobicContact CG-CD2 4.06Å; K119-Y169 HydrophobicContact CG-CG 4.22Å; K119-F170 PolarHBondContact N-O 3.36Å; K119-F170 VanDerWaalsContact O-O 3.07Å; K119-F171 HydrophobicContact CB-CB 4.48Å; K119-F171 HydrophobicContact CB-CD2 3.6Å; K119-F171 HydrophobicContact CB-CE2 4.28Å; K119-F171 HydrophobicContact CB-CG 4.47Å; K119-L172 WeakPolarHBondContact O-CB 3.38Å; K119-L172 PolarHBondContact O-N 3.18Å
120V97.1Very high94.8Very high20 Ų2034.9 Ų34.912%0.12118%0.182CC..EExtended strand (participates in β ladder)trans-148146.3176.958.10000110A122 W136 M141 V142 L172V120-A122 HydrophobicContact CG1-CB 4.12Å; V120-A122 PolarHBondContact O-N 3.05Å; V120-W136 HydrophobicContact CG1-CH2 4.29Å; V120-W136 HydrophobicContact CG1-CZ2 4.31Å; V120-M141 HydrophobicContact CB-SD 4.27Å; V120-M141 HydrophobicContact CG1-CE 4Å; V120-M141 HydrophobicContact CG1-CG 4.11Å; V120-M141 HydrophobicContact CG1-SD 3.49Å; V120-M141 WeakPolarHBondContact CG1-SD 3.44Å; V120-M141 PolarHBondContact N-SD 3.38Å; V120-M141 VanDerWaalsContact O-SD 3.42Å; V120-V142 VanDerWaalsContact O-O 3.05Å; V120-L172 CarbonylContact C-O 3.51Å; V120-L172 VanDerWaalsContact CA-O 3.29Å; V120-L172 WeakPolarHBondContact CA-O 3.15Å; V120-L172 HydrophobicContact CB-CB 4.07Å; V120-L172 HydrophobicContact CB-CD2 4.5Å; V120-L172 HydrophobicContact CG2-CB 4.03Å; V120-L172 HydrophobicContact CG2-CD2 4.01Å; V120-L172 HydrophobicContact CG2-CG 4.04Å
121L96.6Very high94.7Very high37 Ų3735.1 Ų35.119%0.19418%0.183CC..EExtended strand (participates in β ladder)trans-76.294.6162.5-176.760.9000109.2V142 C144 V155 F171 L172 I173L121-V142 CarbonylContact C-O 3.52Å; L121-V142 WeakPolarHBondContact CA-O 3.26Å; L121-V142 HydrophobicContact CD1-CB 4.41Å; L121-V142 HydrophobicContact CD1-CG1 3.64Å; L121-C144 HydrophobicContact CD1-CB 4.08Å; L121-V155 HydrophobicContact CD1-CG1 4.03Å; L121-V155 HydrophobicContact CD1-CG2 4.05Å; L121-F171 HydrophobicContact CB-CE1 4.25Å; L121-F171 HydrophobicContact CB-CZ 3.89Å; L121-L172 PolarHBondContact N-O 2.94Å; L121-I173 HydrophobicContact CB-CG1 4.4Å; L121-I173 HydrophobicContact CD2-CD1 3.74Å; L121-I173 HydrophobicContact CD2-CG1 4.05Å
122A93.3Very high94.7Very high5 Ų535.2 Ų35.24%0.04119%0.185CC..EExtended strand (participates in β ladder)trans-98.8155.3-173.500000113.3V120 L126 W136 V142 F143 C144V120-A122 HydrophobicContact CG1-CB 4.12Å; V120-A122 PolarHBondContact O-N 3.05Å; A122-L126 HydrophobicContact CB-CD1 4.3Å; A122-W136 HydrophobicContact CB-CE3 4.13Å; A122-W136 HydrophobicContact CB-CH2 4.4Å; A122-W136 HydrophobicContact CB-CZ3 3.64Å; A122-V142 PolarHBondContact N-O 2.83Å; A122-F143 HydrophobicContact CB-CD1 3.86Å; A122-F143 HydrophobicContact CB-CE1 3.98Å; A122-F143 CarbonylContact O-C 3.59Å; A122-F143 VanDerWaalsContact O-CA 3.29Å; A122-F143 WeakPolarHBondContact O-CA 2.99Å; A122-C144 PolarHBondContact O-N 3.21Å; A122-C144 PolarHBondContact O-SG 2.94Å
123K91.4Very high94.7Very high61 Ų6133.5 Ų33.527%0.26518%0.177SC..EExtended strand (participates in β ladder)trans-66.8132.6169.9-159.1-156-179.8-155.80109.5E125 L126K123-E125 HydrophobicContact CD-CB 4.27Å; K123-E125 WeakPolarHBondContact CD-OE2 3.41Å; K123-E125 WeakPolarHBondContact CE-OE1 3.49Å; K123-E125 WeakPolarHBondContact CE-OE2 3.49Å; K123-E125 WeakPolarHBondContact CG-OE2 3.29Å; K123-E125 IonicContact NZ-OE1 2.74Å; K123-E125 PolarHBondContact NZ-OE1 3.46Å; K123-E125 IonicContact NZ-OE2 2.73Å; K123-E125 PolarHBondContact NZ-OE2 2.88Å; K123-E125 PolarHBondContact O-N 3.22Å; K123-E125 VanDerWaalsContact O-N 3.11Å; K123-L126 HydrophobicContact CB-CD1 4.24Å; K123-L126 HydrophobicContact CB-CG 4.23Å; K123-L126 VanDerWaalsContact O-CB 3.3Å; K123-L126 WeakPolarHBondContact O-CB 3.42Å; K123-L126 PolarHBondContact O-N 3.4Å
124K91.4Very high94.7Very high90 Ų9036.8 Ų36.839%0.39118%0.178SC..G310 helixtrans-54.1-34.7-176.6-175.2174.8-179.8178.70113.4L126 A127 F143 C144K124-L126 PolarHBondContact O-N 3.49Å; K124-A127 WeakPolarHBondContact O-CB 3.32Å; K124-A127 PolarHBondContact O-N 3.13Å; K124-F143 HydrophobicContact CB-CB 4.42Å; K124-C144 WeakPolarHBondContact CB-O 3.5Å; K124-C144 PolarHBondContact N-O 2.86Å
125E91.3Very high94.8Very high94 Ų9436.6 Ų36.644%0.43918%0.176SC..G310 helixtrans-62.2-24.5179.5-65.990.7134.900112.9K123 A127 Y128K123-E125 HydrophobicContact CD-CB 4.27Å; K123-E125 WeakPolarHBondContact CD-OE2 3.41Å; K123-E125 WeakPolarHBondContact CE-OE1 3.49Å; K123-E125 WeakPolarHBondContact CE-OE2 3.49Å; K123-E125 WeakPolarHBondContact CG-OE2 3.29Å; K123-E125 IonicContact NZ-OE1 2.74Å; K123-E125 PolarHBondContact NZ-OE1 3.46Å; K123-E125 IonicContact NZ-OE2 2.73Å; K123-E125 PolarHBondContact NZ-OE2 2.88Å; K123-E125 PolarHBondContact O-N 3.22Å; K123-E125 VanDerWaalsContact O-N 3.11Å; E125-A127 PolarHBondContact O-N 3.5Å; E125-Y128 PolarHBondContact O-N 2.83Å
126L91.3Very high94.7Very high49 Ų4937.6 Ų37.626%0.25718%0.18SC..G310 helixtrans-68.3-20.9175.5-61.8176.4000112.7A122 K123 K124 Y128 V129 G133 W136 V358A122-L126 HydrophobicContact CB-CD1 4.3Å; K123-L126 HydrophobicContact CB-CD1 4.24Å; K123-L126 HydrophobicContact CB-CG 4.23Å; K123-L126 VanDerWaalsContact O-CB 3.3Å; K123-L126 WeakPolarHBondContact O-CB 3.42Å; K123-L126 PolarHBondContact O-N 3.4Å; K124-L126 PolarHBondContact O-N 3.49Å; L126-Y128 PolarHBondContact O-N 2.72Å; L126-V129 HydrophobicContact CD2-CG2 4.31Å; L126-V129 PolarHBondContact O-N 3.23Å; L126-G133 VanDerWaalsContact O-CA 3.22Å; L126-G133 WeakPolarHBondContact O-CA 3.31Å; L126-W136 HydrophobicContact CB-CE3 4.24Å; L126-W136 HydrophobicContact CB-CZ3 3.64Å; L126-W136 HydrophobicContact CD1-CH2 4.1Å; L126-W136 HydrophobicContact CD1-CZ3 3.75Å; L126-W136 HydrophobicContact CG-CZ3 4.31Å; L126-V358 HydrophobicContact CD2-CG1 3.35Å
127A93.8Very high94.8Very high23 Ų2344.7 Ų44.719%0.1921%0.205CC..G310 helixtrans-63.1-23174.100000112.6K124 E125 G133 F143K124-A127 WeakPolarHBondContact O-CB 3.32Å; K124-A127 PolarHBondContact O-N 3.13Å; E125-A127 PolarHBondContact O-N 3.5Å; A127-G133 CarbonylContact O-C 3.56Å; A127-G133 WeakPolarHBondContact O-CA 3.29Å; A127-F143 HydrophobicContact CB-CD1 4.16Å; A127-F143 HydrophobicContact CB-CD2 4.44Å; A127-F143 HydrophobicContact CB-CE1 3.69Å; A127-F143 HydrophobicContact CB-CE2 4.01Å; A127-F143 HydrophobicContact CB-CZ 3.59Å
128Y92.8Very high94.9Very high158 Ų15845.5 Ų45.562%0.6221%0.208SC*.G310 helixtrans-91.8-5.2-179.6-55.1-73.8000113.6E125 L126 P130E125-Y128 PolarHBondContact O-N 2.83Å; L126-Y128 PolarHBondContact O-N 2.72Å; Y128-P130 WeakPolarHBondContact O-CD 3.36Å
129V93.2Very high94.9Very high13 Ų1345 Ų458%0.07921%0.205CC..SBendtrans-68.4121.2174.1178.30000107.8L126 G133 W354 M355 V358L126-V129 HydrophobicContact CD2-CG2 4.31Å; L126-V129 PolarHBondContact O-N 3.23Å; V129-G133 WeakPolarHBondContact O-CA 3.47Å; V129-G133 PolarHBondContact O-N 3.31Å; V129-W354 HydrophobicContact CG1-CZ3 4.38Å; V129-W354 HydrophobicContact CG2-CH2 4.23Å; V129-M355 HydrophobicContact CG1-CE 4.04Å; V129-M355 HydrophobicContact CG1-CG 4.13Å; V129-V358 HydrophobicContact CG2-CG1 4.28Å
130P93.4Very high94.9Very high46 Ų4646.2 Ų46.230%0.29921%0.21SC..THydrogen-bonded Turntrans-56.5151.4179.3-24.935.5000111.3Y128 I132 W134 M355Y128-P130 WeakPolarHBondContact O-CD 3.36Å; P130-I132 PolarHBondContact O-N 3.23Å; P130-W134 HydrophobicContact CB-CH2 4.22Å; P130-W134 HydrophobicContact CB-CZ2 4.13Å; P130-M355 WeakPolarHBondContact O-CE 3.33Å
131I96.7Very high94.8Very high5 Ų545.8 Ų45.83%0.02621%0.207CC..THydrogen-bonded Turntrans69.3-66.7-177.9-54.1168.2000113.5F21 I22 L26 N29 I57 M135F21-I131 HydrophobicContact CD1-CD1 4.33Å; F21-I131 HydrophobicContact CE1-CB 4.47Å; F21-I131 HydrophobicContact CE1-CD1 4.08Å; F21-I131 HydrophobicContact CE1-CG2 4.16Å; F21-I131 HydrophobicContact CZ-CG2 3.91Å; I22-I131 HydrophobicContact CB-CD1 4.36Å; I22-I131 HydrophobicContact CG1-CD1 4.2Å; L26-I131 HydrophobicContact CD2-CG1 4.36Å; N29-I131 PolarHBondContact ND2-O 3.42Å; N29-I131 VanDerWaalsContact OD1-CA 3.24Å; N29-I131 WeakPolarHBondContact OD1-CA 3.31Å; I57-I131 HydrophobicContact CD1-CG2 4.16Å; I57-I131 HydrophobicContact CG2-CG2 3.74Å; I131-M135 WeakPolarHBondContact O-CB 3.45Å; I131-M135 PolarHBondContact O-N 2.87Å
132I96Very high94.9Very high22 Ų2244 Ų4411%0.11320%0.198CC..Hα-helixtrans-71.8-47.7-175.8-62.3-62.1000111.8F21 I57 L61 P130 W134 M135 W136 M355F21-I132 HydrophobicContact CE2-CD1 4.41Å; F21-I132 HydrophobicContact CZ-CD1 3.84Å; F21-I132 HydrophobicContact CZ-CG1 4.15Å; I57-I132 HydrophobicContact CG2-CD1 3.83Å; L61-I132 HydrophobicContact CD1-CD1 4.14Å; P130-I132 PolarHBondContact O-N 3.23Å; I132-W134 VanDerWaalsContact C-N 3.32Å; I132-W134 PolarHBondContact O-N 3.23Å; I132-M135 HydrophobicContact CD1-CE 4.19Å; I132-M135 HydrophobicContact CG2-CE 4.39Å; I132-M135 WeakPolarHBondContact O-CB 3.31Å; I132-M135 PolarHBondContact O-N 3.44Å; I132-W136 HydrophobicContact CG2-CD2 4.16Å; I132-W136 HydrophobicContact CG2-CZ2 3.97Å; I132-W136 WeakPolarHBondContact O-CB 3.23Å; I132-W136 VanDerWaalsContact O-CG 3.28Å; I132-W136 PolarHBondContact O-N 3.07Å; I132-M355 HydrophobicContact CG1-CE 4.4Å
133G96.3Very high95Very high0 Ų045.4 Ų45.40%020%0.203CC..Hα-helixtrans-64.4-38.4178.800000112.1L126 A127 V129 W136 Y137L126-G133 VanDerWaalsContact O-CA 3.22Å; L126-G133 WeakPolarHBondContact O-CA 3.31Å; A127-G133 CarbonylContact O-C 3.56Å; A127-G133 WeakPolarHBondContact O-CA 3.29Å; V129-G133 WeakPolarHBondContact O-CA 3.47Å; V129-G133 PolarHBondContact O-N 3.31Å; G133-W136 WeakPolarHBondContact O-CB 3.44Å; G133-W136 PolarHBondContact O-N 3.3Å; G133-Y137 PolarHBondContact O-N 2.98Å
134W97Very high95Very high109 Ų10943.4 Ų43.441%0.41320%0.197SC..Hα-helixtrans-67.9-45.3175.2-55.9-14.2000111.4L26 N29 P130 I132 W136 Y137 F138L26-W134 HydrophobicContact CD2-CZ3 3.84Å; N29-W134 HydrophobicContact CB-CE3 4.08Å; P130-W134 HydrophobicContact CB-CH2 4.22Å; P130-W134 HydrophobicContact CB-CZ2 4.13Å; I132-W134 VanDerWaalsContact C-N 3.32Å; I132-W134 PolarHBondContact O-N 3.23Å; W134-W136 VanDerWaalsContact C-N 3.25Å; W134-W136 PolarHBondContact O-N 2.78Å; W134-Y137 WeakPolarHBondContact O-CB 3.41Å; W134-Y137 PolarHBondContact O-N 3.5Å; W134-Y137 VanDerWaalsContact O-N 3.09Å; W134-F138 WeakPolarHBondContact O-CD2 3.35Å; W134-F138 PolarHBondContact O-N 3.06Å; W134-F138 VanDerWaalsContact O-N 3.13Å
135M97.7Very high94.9Very high5 Ų540.4 Ų40.43%0.02519%0.187CC..Hα-helixtrans-53.5-44.3171.4177.6-167.474.400111.6S54 I57 I131 I132 F138 T139S54-M135 VanDerWaalsContact CB-CG 3.47Å; S54-M135 VanDerWaalsContact O-SD 3.41Å; S54-M135 WeakPolarHBondContact OG-CG 3.43Å; I57-M135 HydrophobicContact CB-SD 3.6Å; I57-M135 VanDerWaalsContact CB-SD 3.6Å; I57-M135 HydrophobicContact CD1-CB 3.92Å; I57-M135 HydrophobicContact CD1-CG 4.05Å; I57-M135 HydrophobicContact CD1-SD 4.18Å; I57-M135 HydrophobicContact CG1-SD 4.43Å; I57-M135 HydrophobicContact CG2-SD 3.67Å; I131-M135 WeakPolarHBondContact O-CB 3.45Å; I131-M135 PolarHBondContact O-N 2.87Å; I132-M135 HydrophobicContact CD1-CE 4.19Å; I132-M135 HydrophobicContact CG2-CE 4.39Å; I132-M135 WeakPolarHBondContact O-CB 3.31Å; I132-M135 PolarHBondContact O-N 3.44Å; M135-F138 PolarHBondContact O-N 3.42Å; M135-T139 PolarHBondContact O-N 2.74Å; M135-T139 PolarHBondContact O-OG1 2.88Å
136W97.4Very high94.4Very high26 Ų2640.8 Ų40.810%0.09818%0.184CC..Hα-helixtrans-65.7-36.5177.3-75.11.7000113.2W106 V120 A122 L126 I132 G133 W134 T139 E140 M141 F143W106-W136 HydrophobicContact CH2-CZ2 4.49Å; W106-W136 HydrophobicContact CZ2-CZ2 4.09Å; V120-W136 HydrophobicContact CG1-CH2 4.29Å; V120-W136 HydrophobicContact CG1-CZ2 4.31Å; A122-W136 HydrophobicContact CB-CE3 4.13Å; A122-W136 HydrophobicContact CB-CH2 4.4Å; A122-W136 HydrophobicContact CB-CZ3 3.64Å; L126-W136 HydrophobicContact CB-CE3 4.24Å; L126-W136 HydrophobicContact CB-CZ3 3.64Å; L126-W136 HydrophobicContact CD1-CH2 4.1Å; L126-W136 HydrophobicContact CD1-CZ3 3.75Å; L126-W136 HydrophobicContact CG-CZ3 4.31Å; I132-W136 HydrophobicContact CG2-CD2 4.16Å; I132-W136 HydrophobicContact CG2-CZ2 3.97Å; I132-W136 WeakPolarHBondContact O-CB 3.23Å; I132-W136 VanDerWaalsContact O-CG 3.28Å; I132-W136 PolarHBondContact O-N 3.07Å; G133-W136 WeakPolarHBondContact O-CB 3.44Å; G133-W136 PolarHBondContact O-N 3.3Å; W134-W136 VanDerWaalsContact C-N 3.25Å; W134-W136 PolarHBondContact O-N 2.78Å; W136-T139 WeakPolarHBondContact CA-OG1 3.32Å; W136-T139 PolarHBondContact O-N 3.24Å; W136-T139 PolarHBondContact O-OG1 3Å; W136-E140 PolarHBondContact O-N 3.17Å; W136-M141 HydrophobicContact CB-CB 3.63Å; W136-M141 HydrophobicContact CB-CE 4.36Å; W136-M141 HydrophobicContact CB-CG 4.03Å; W136-M141 VanDerWaalsContact CD1-CE 3.4Å; W136-M141 HydrophobicContact CD2-CE 4Å; W136-M141 HydrophobicContact CD2-CG 4.08Å; W136-M141 HydrophobicContact CE3-CG 4.21Å; W136-M141 HydrophobicContact CG-CB 4.12Å; W136-M141 HydrophobicContact CG-CE 3.69Å; W136-M141 HydrophobicContact CG-CG 4.01Å; W136-M141 WeakPolarHBondContact O-CB 3.48Å; W136-M141 PolarHBondContact O-N 3.34Å; W136-F143 HydrophobicContact CB-CE2 4.49Å; W136-F143 HydrophobicContact CB-CZ 3.77Å; W136-F143 AromaticContact CE3-CE1 3.78Å; W136-F143 HydrophobicContact CE3-CE1 3.78Å; W136-F143 HydrophobicContact CE3-CZ 4.03Å; W136-F143 HydrophobicContact CZ3-CE1 4.42Å
137Y96.1Very high94.2Very high157 Ų15745.2 Ų45.262%0.61620%0.202SC*.Hα-helixtrans-59.5-51.4173.8178.6-94.5000111.5G133 W134 T139 E140G133-Y137 PolarHBondContact O-N 2.98Å; W134-Y137 WeakPolarHBondContact O-CB 3.41Å; W134-Y137 PolarHBondContact O-N 3.5Å; W134-Y137 VanDerWaalsContact O-N 3.09Å; Y137-T139 PolarHBondContact O-N 3.38Å; Y137-T139 VanDerWaalsContact O-N 3.16Å; Y137-E140 PolarHBondContact O-N 3.44Å; Y137-E140 VanDerWaalsContact O-N 3.09Å
138F96.8Very high93.8Very high19 Ų1947.9 Ų47.98%0.08321%0.207CC..Hα-helixtrans-67.7-14.6-179.2-72.2-71.8000114.5Q32 L33 L36 F46 N50 W134 M135Q32-F138 HydrophobicContact CB-CB 4.26Å; Q32-F138 HydrophobicContact CB-CD1 3.96Å; Q32-F138 HydrophobicContact CB-CD2 3.47Å; Q32-F138 VanDerWaalsContact CB-CD2 3.47Å; Q32-F138 HydrophobicContact CB-CE1 4.15Å; Q32-F138 HydrophobicContact CB-CE2 3.7Å; Q32-F138 HydrophobicContact CB-CG 3.64Å; Q32-F138 HydrophobicContact CB-CZ 4.05Å; Q32-F138 HydrophobicContact CG-CB 4.47Å; Q32-F138 HydrophobicContact CG-CD2 4.22Å; Q32-F138 HydrophobicContact CG-CG 4.34Å; Q32-F138 VanDerWaalsContact O-CE1 3.26Å; Q32-F138 WeakPolarHBondContact O-CE1 3.43Å; L33-F138 HydrophobicContact CB-CZ 4.3Å; L33-F138 HydrophobicContact CD1-CZ 4.37Å; L36-F138 HydrophobicContact CD1-CE1 4.2Å; L36-F138 HydrophobicContact CD2-CD1 4.35Å; L36-F138 HydrophobicContact CD2-CE1 3.84Å; L36-F138 HydrophobicContact CG-CE1 3.86Å; F46-F138 WeakPolarHBondContact CE1-O 3.12Å; F46-F138 HydrophobicContact CE2-CD1 4.37Å; F46-F138 HydrophobicContact CZ-CD1 4.07Å; N50-F138 HydrophobicContact CB-CB 4.46Å; N50-F138 WeakPolarHBondContact CB-O 3.49Å; N50-F138 WeakPolarHBondContact OD1-CB 3.47Å; W134-F138 WeakPolarHBondContact O-CD2 3.35Å; W134-F138 PolarHBondContact O-N 3.06Å; W134-F138 VanDerWaalsContact O-N 3.13Å; M135-F138 PolarHBondContact O-N 3.42Å
139T96.4Very high93.5Very high3 Ų347.7 Ų47.72%0.01821%0.212CC..THydrogen-bonded Turntrans-102.712.717548.40000113.7N50 S54 K119 M135 W136 Y137 M141N50-T139 HydrophobicContact CB-CG2 4.39Å; S54-T139 WeakPolarHBondContact OG-CG2 3.49Å; K119-T139 PolarHBondContact NZ-O 2.96Å; M135-T139 PolarHBondContact O-N 2.74Å; M135-T139 PolarHBondContact O-OG1 2.88Å; W136-T139 WeakPolarHBondContact CA-OG1 3.32Å; W136-T139 PolarHBondContact O-N 3.24Å; W136-T139 PolarHBondContact O-OG1 3Å; Y137-T139 PolarHBondContact O-N 3.38Å; Y137-T139 VanDerWaalsContact O-N 3.16Å; T139-M141 VanDerWaalsContact C-N 3.27Å; T139-M141 PolarHBondContact O-N 2.86Å
140E96.1Very high93.1Very high28 Ų2851.5 Ų51.513%0.13123%0.228CC..THydrogen-bonded Turntrans55.342.8179.8-59.8173.5111.300112.3W39 R47 W136 Y137 Y165W39-E140 HydrophobicContact CH2-CG 4.38Å; W39-E140 WeakPolarHBondContact CH2-OE1 3.22Å; R47-E140 IonicContact CZ-OE1 3.01Å; R47-E140 IonicContact CZ-OE2 3.01Å; R47-E140 IonicContact NE-OE1 3.34Å; R47-E140 IonicContact NE-OE2 3.02Å; R47-E140 PolarHBondContact NE-OE2 3.35Å; R47-E140 VanDerWaalsContact NH2-CD 3.35Å; R47-E140 IonicContact NH2-OE1 3.12Å; R47-E140 PolarHBondContact NH2-OE1 2.63Å; R47-E140 IonicContact NH2-OE2 3.64Å; R47-E140 PolarHBondContact NH2-OE2 2.72Å; W136-E140 PolarHBondContact O-N 3.17Å; Y137-E140 PolarHBondContact O-N 3.44Å; Y137-E140 VanDerWaalsContact O-N 3.09Å; E140-Y165 WeakPolarHBondContact OE2-CE2 3.21Å
141M96.9Very high92.8Very high12 Ų1250.1 Ų50.16%0.05922%0.219CC..  trans-60144.5173.9-16462.778.200111.1K119 V120 W136 T139 F143K119-M141 HydrophobicContact CB-SD 4.28Å; K119-M141 HydrophobicContact CD-SD 4.46Å; V120-M141 HydrophobicContact CB-SD 4.27Å; V120-M141 HydrophobicContact CG1-CE 4Å; V120-M141 HydrophobicContact CG1-CG 4.11Å; V120-M141 HydrophobicContact CG1-SD 3.49Å; V120-M141 WeakPolarHBondContact CG1-SD 3.44Å; V120-M141 PolarHBondContact N-SD 3.38Å; V120-M141 VanDerWaalsContact O-SD 3.42Å; W136-M141 HydrophobicContact CB-CB 3.63Å; W136-M141 HydrophobicContact CB-CE 4.36Å; W136-M141 HydrophobicContact CB-CG 4.03Å; W136-M141 VanDerWaalsContact CD1-CE 3.4Å; W136-M141 HydrophobicContact CD2-CE 4Å; W136-M141 HydrophobicContact CD2-CG 4.08Å; W136-M141 HydrophobicContact CE3-CG 4.21Å; W136-M141 HydrophobicContact CG-CB 4.12Å; W136-M141 HydrophobicContact CG-CE 3.69Å; W136-M141 HydrophobicContact CG-CG 4.01Å; W136-M141 WeakPolarHBondContact O-CB 3.48Å; W136-M141 PolarHBondContact O-N 3.34Å; T139-M141 VanDerWaalsContact C-N 3.27Å; T139-M141 PolarHBondContact O-N 2.86Å; M141-F143 HydrophobicContact CB-CE2 3.87Å; M141-F143 HydrophobicContact CB-CZ 3.98Å; M141-F143 HydrophobicContact CG-CZ 4.29Å; M141-F143 VanDerWaalsContact O-CD2 3.31Å; M141-F143 WeakPolarHBondContact O-CD2 3.16Å; M141-F143 PolarHBondContact O-N 2.87Å
142V97.3Very high92.5Very high0 Ų056.1 Ų56.10%024%0.241CC..EExtended strand (participates in β ladder)trans-88.3115.6-177.9-176.90000109.7V120 L121 A122 V155 L159 L162 F171V120-V142 VanDerWaalsContact O-O 3.05Å; L121-V142 CarbonylContact C-O 3.52Å; L121-V142 WeakPolarHBondContact CA-O 3.26Å; L121-V142 HydrophobicContact CD1-CB 4.41Å; L121-V142 HydrophobicContact CD1-CG1 3.64Å; A122-V142 PolarHBondContact N-O 2.83Å; V142-V155 HydrophobicContact CG1-CB 4.42Å; V142-V155 HydrophobicContact CG1-CG1 3.92Å; V142-V155 HydrophobicContact CG1-CG2 4.43Å; V142-L159 HydrophobicContact CG2-CD2 4.28Å; V142-L159 HydrophobicContact CG2-CG 4.49Å; V142-L162 HydrophobicContact CG2-CD1 3.92Å; V142-F171 HydrophobicContact CB-CE2 3.87Å; V142-F171 HydrophobicContact CB-CZ 4.14Å; V142-F171 HydrophobicContact CG1-CZ 4.42Å; V142-F171 HydrophobicContact CG2-CE2 3.57Å; V142-F171 HydrophobicContact CG2-CZ 4.2Å
143F95.1Very high92.2Very high33 Ų3362.9 Ų62.915%0.14527%0.269CS..EExtended strand (participates in β ladder)trans-106.8143.6-180-65.7-75.4000112.5A122 K124 A127 W136 M141A122-F143 HydrophobicContact CB-CD1 3.86Å; A122-F143 HydrophobicContact CB-CE1 3.98Å; A122-F143 CarbonylContact O-C 3.59Å; A122-F143 VanDerWaalsContact O-CA 3.29Å; A122-F143 WeakPolarHBondContact O-CA 2.99Å; K124-F143 HydrophobicContact CB-CB 4.42Å; A127-F143 HydrophobicContact CB-CD1 4.16Å; A127-F143 HydrophobicContact CB-CD2 4.44Å; A127-F143 HydrophobicContact CB-CE1 3.69Å; A127-F143 HydrophobicContact CB-CE2 4.01Å; A127-F143 HydrophobicContact CB-CZ 3.59Å; W136-F143 HydrophobicContact CB-CE2 4.49Å; W136-F143 HydrophobicContact CB-CZ 3.77Å; W136-F143 AromaticContact CE3-CE1 3.78Å; W136-F143 HydrophobicContact CE3-CE1 3.78Å; W136-F143 HydrophobicContact CE3-CZ 4.03Å; W136-F143 HydrophobicContact CZ3-CE1 4.42Å; M141-F143 HydrophobicContact CB-CE2 3.87Å; M141-F143 HydrophobicContact CB-CZ 3.98Å; M141-F143 HydrophobicContact CG-CZ 4.29Å; M141-F143 VanDerWaalsContact O-CD2 3.31Å; M141-F143 WeakPolarHBondContact O-CD2 3.16Å; M141-F143 PolarHBondContact O-N 2.87Å
144C92.9Very high92Very high19 Ų1966 Ų6613%0.12829%0.289CS..EExtended strand (participates in β ladder)trans-126.3143.117368.70000112.1L121 A122 K124 R146 D151 V155L121-C144 HydrophobicContact CD1-CB 4.08Å; A122-C144 PolarHBondContact O-N 3.21Å; A122-C144 PolarHBondContact O-SG 2.94Å; K124-C144 WeakPolarHBondContact CB-O 3.5Å; K124-C144 PolarHBondContact N-O 2.86Å; C144-R146 VanDerWaalsContact C-N 3.32Å; C144-D151 VanDerWaalsContact CA-OD1 3.31Å; C144-D151 WeakPolarHBondContact CA-OD1 3.43Å; C144-V155 HydrophobicContact CB-CG2 4Å
145S87.6Confident91.9Very high27 Ų2761.1 Ų61.119%0.18927%0.271CS..  trans-86.9-2.6175.7700000113.2K147 Q150 D151S145-K147 PolarHBondContact O-N 3.19Å; S145-Q150 PolarHBondContact OG-OE1 3.47Å; S145-D151 PolarHBondContact N-OD1 3.42Å; S145-D151 PolarHBondContact N-OD2 2.98Å; S145-D151 PolarHBondContact OG-OD1 3.16Å
146R82.8Confident91.7Very high102 Ų10261.9 Ų61.939%0.38528%0.278SS..SBendtrans63.526.5-173.6-57.2178.1169.9161.4-2.4112.9C144 D151 S365C144-R146 VanDerWaalsContact C-N 3.32Å; R146-D151 VanDerWaalsContact CA-OD2 3.23Å; R146-D151 WeakPolarHBondContact CA-OD2 3.46Å; R146-D151 PolarHBondContact N-OD2 3.08Å; R146-S365 PolarHBondContact NH1-OG 3.12Å
147K86.1Confident91.6Very high143 Ų14363.8 Ų63.862%0.62229%0.292SS*.  trans-121105.4173.9-63.6-176.1-179.3-177.60107.9S145 E149 Q150 D151S145-K147 PolarHBondContact O-N 3.19Å; K147-E149 VanDerWaalsContact C-N 3.3Å; K147-E149 PolarHBondContact O-N 2.76Å; K147-Q150 HydrophobicContact CB-CB 4.35Å; K147-Q150 PolarHBondContact O-N 3.01Å; K147-D151 PolarHBondContact N-OD2 2.79Å; K147-D151 WeakPolarHBondContact O-CB 3.38Å; K147-D151 PolarHBondContact O-N 2.77Å
148W85.6Confident91.6Very high79 Ų7957.6 Ų57.630%0.29927%0.272SS..Hα-helixtrans-51.3-45.3-170174.5-115.3000113.9Q150 D151 R152 K209 I213W148-Q150 VanDerWaalsContact C-N 3.28Å; W148-Q150 PolarHBondContact O-N 2.82Å; W148-D151 PolarHBondContact O-N 3.32Å; W148-R152 HydrophobicContact CD2-CB 4.4Å; W148-R152 HydrophobicContact CE3-CB 4.45Å; W148-R152 HydrophobicContact CH2-CB 4.34Å; W148-R152 HydrophobicContact CH2-CG 4.35Å; W148-R152 HydrophobicContact CZ2-CB 4.19Å; W148-R152 HydrophobicContact CZ2-CG 4.12Å; W148-R152 HydrophobicContact CZ3-CB 4.41Å; W148-R152 WeakPolarHBondContact O-CB 3.43Å; W148-R152 PolarHBondContact O-N 3.28Å; W148-K209 HydrophobicContact CD2-CD 3.8Å; W148-K209 HydrophobicContact CE3-CB 4.05Å; W148-K209 HydrophobicContact CE3-CD 4.13Å; W148-K209 HydrophobicContact CG-CD 4.21Å; W148-K209 HydrophobicContact CH2-CB 3.64Å; W148-K209 HydrophobicContact CH2-CD 4.23Å; W148-K209 HydrophobicContact CH2-CG 4.28Å; W148-K209 HydrophobicContact CZ2-CB 4.24Å; W148-K209 HydrophobicContact CZ2-CD 4Å; W148-K209 HydrophobicContact CZ2-CG 4.4Å; W148-K209 HydrophobicContact CZ3-CB 3.59Å; W148-K209 HydrophobicContact CZ3-CD 4.34Å; W148-I213 HydrophobicContact CH2-CD1 3.17Å; W148-I213 HydrophobicContact CH2-CG1 3.82Å; W148-I213 HydrophobicContact CZ2-CD1 4.2Å; W148-I213 HydrophobicContact CZ3-CD1 3.41Å; W148-I213 VanDerWaalsContact CZ3-CD1 3.41Å; W148-I213 HydrophobicContact CZ3-CG1 4.29Å
149E86.7Confident91.6Very high154 Ų15456.7 Ų56.772%0.7227%0.269SS*.Hα-helixtrans-59.9-36.8-179.6-62.6-49.5128.600113.1K147K147-E149 VanDerWaalsContact C-N 3.3Å; K147-E149 PolarHBondContact O-N 2.76Å
150Q84.1Confident91.6Very high92 Ų9261 Ų6143%0.4329%0.289SS..Hα-helixtrans-79.8-41.4176.2-175.1177.21900111.8S145 K147 W148 T154S145-Q150 PolarHBondContact OG-OE1 3.47Å; K147-Q150 HydrophobicContact CB-CB 4.35Å; K147-Q150 PolarHBondContact O-N 3.01Å; W148-Q150 VanDerWaalsContact C-N 3.28Å; W148-Q150 PolarHBondContact O-N 2.82Å; Q150-T154 PolarHBondContact O-N 3.44Å; Q150-T154 PolarHBondContact O-OG1 3.49Å
151D88.1Confident91.6Very high17 Ų1763.5 Ų63.59%0.09130%0.3CS..Hα-helixtrans-72.7-34.6-172.7-73.9-27.8000112.3C144 S145 R146 K147 W148 K153 T154 V155C144-D151 VanDerWaalsContact CA-OD1 3.31Å; C144-D151 WeakPolarHBondContact CA-OD1 3.43Å; S145-D151 PolarHBondContact N-OD1 3.42Å; S145-D151 PolarHBondContact N-OD2 2.98Å; S145-D151 PolarHBondContact OG-OD1 3.16Å; R146-D151 VanDerWaalsContact CA-OD2 3.23Å; R146-D151 WeakPolarHBondContact CA-OD2 3.46Å; R146-D151 PolarHBondContact N-OD2 3.08Å; K147-D151 PolarHBondContact N-OD2 2.79Å; K147-D151 WeakPolarHBondContact O-CB 3.38Å; K147-D151 PolarHBondContact O-N 2.77Å; W148-D151 PolarHBondContact O-N 3.32Å; D151-K153 PolarHBondContact O-N 2.82Å; D151-K153 VanDerWaalsContact O-N 3.17Å; D151-T154 PolarHBondContact O-N 2.89Å; D151-V155 HydrophobicContact CB-CG2 4.07Å; D151-V155 WeakPolarHBondContact O-CB 3.44Å; D151-V155 WeakPolarHBondContact O-CG2 3.44Å; D151-V155 PolarHBondContact O-N 3.07Å
152R88.7Confident91.6Very high132 Ų13262.9 Ų62.950%0.49830%0.297SS..Hα-helixtrans-51.6-44.7-177.7177.4177.4-174.5-1632.4112.2W148 A156 I213W148-R152 HydrophobicContact CD2-CB 4.4Å; W148-R152 HydrophobicContact CE3-CB 4.45Å; W148-R152 HydrophobicContact CH2-CB 4.34Å; W148-R152 HydrophobicContact CH2-CG 4.35Å; W148-R152 HydrophobicContact CZ2-CB 4.19Å; W148-R152 HydrophobicContact CZ2-CG 4.12Å; W148-R152 HydrophobicContact CZ3-CB 4.41Å; W148-R152 WeakPolarHBondContact O-CB 3.43Å; W148-R152 PolarHBondContact O-N 3.28Å; R152-A156 WeakPolarHBondContact O-CB 2.94Å; R152-I213 HydrophobicContact CB-CD1 4.24Å; R152-I213 HydrophobicContact CG-CD1 3.94Å
153K90.2Very high91.5Very high163 Ų16367 Ų6771%0.70931%0.313SS*.Hα-helixtrans-80.2-49.8178.9-169.7176.5-178.8179.60111.4D151 V155 A156 T157D151-K153 PolarHBondContact O-N 2.82Å; D151-K153 VanDerWaalsContact O-N 3.17Å; K153-V155 PolarHBondContact O-N 2.87Å; K153-A156 PolarHBondContact O-N 2.96Å; K153-T157 PolarHBondContact O-N 3.33Å; K153-T157 PolarHBondContact O-OG1 3.42Å
154T92.3Very high91.6Very high66 Ų6669 Ų6941%0.40533%0.325SS..Hα-helixtrans-62.9-46.1-173.6-48.50000111.9Q150 D151 T157 S158Q150-T154 PolarHBondContact O-N 3.44Å; Q150-T154 PolarHBondContact O-OG1 3.49Å; D151-T154 PolarHBondContact O-N 2.89Å; T154-T157 PolarHBondContact O-N 3.48Å; T154-S158 PolarHBondContact O-N 3.12Å; T154-S158 PolarHBondContact O-OG 3.11Å; T154-S158 VanDerWaalsContact O-OG 3.1Å
155V94.8Very high91.7Very high6 Ų668.9 Ų68.94%0.03632%0.321CS..Hα-helixtrans-66-43.4178.41730000110.6L121 V142 C144 D151 K153 T157 S158 L159 I213L121-V155 HydrophobicContact CD1-CG1 4.03Å; L121-V155 HydrophobicContact CD1-CG2 4.05Å; V142-V155 HydrophobicContact CG1-CB 4.42Å; V142-V155 HydrophobicContact CG1-CG1 3.92Å; V142-V155 HydrophobicContact CG1-CG2 4.43Å; C144-V155 HydrophobicContact CB-CG2 4Å; D151-V155 HydrophobicContact CB-CG2 4.07Å; D151-V155 WeakPolarHBondContact O-CB 3.44Å; D151-V155 WeakPolarHBondContact O-CG2 3.44Å; D151-V155 PolarHBondContact O-N 3.07Å; K153-V155 PolarHBondContact O-N 2.87Å; V155-T157 PolarHBondContact O-N 3.29Å; V155-S158 PolarHBondContact O-N 3.44Å; V155-L159 HydrophobicContact CG1-CD1 3.69Å; V155-L159 HydrophobicContact CG1-CG 4.29Å; V155-L159 WeakPolarHBondContact O-CB 2.92Å; V155-L159 WeakPolarHBondContact O-CD1 3.28Å; V155-L159 VanDerWaalsContact O-CG 3.23Å; V155-L159 WeakPolarHBondContact O-CG 3.47Å; V155-L159 PolarHBondContact O-N 3.46Å; V155-I213 HydrophobicContact CG1-CG2 4.25Å
156A94.4Very high92.1Very high21 Ų2169.6 Ų69.617%0.17433%0.325CS..Hα-helixtrans-59.9-47.6176.700000111.6R152 K153 S158 L159 Q160 I213R152-A156 WeakPolarHBondContact O-CB 2.94Å; K153-A156 PolarHBondContact O-N 2.96Å; A156-S158 PolarHBondContact O-N 2.88Å; A156-L159 PolarHBondContact O-N 3.15Å; A156-Q160 VanDerWaalsContact O-CG 3.26Å; A156-Q160 WeakPolarHBondContact O-CG 3.48Å; A156-Q160 PolarHBondContact O-N 3.18Å; A156-I213 HydrophobicContact CB-CG2 4.2Å
157T95.4Very high92.7Very high66 Ų6666.6 Ų66.641%0.40532%0.316SS..Hα-helixtrans-58.9-46.6176.5-61.40000111.8K153 T154 V155 L159 Q160 H161K153-T157 PolarHBondContact O-N 3.33Å; K153-T157 PolarHBondContact O-OG1 3.42Å; T154-T157 PolarHBondContact O-N 3.48Å; V155-T157 PolarHBondContact O-N 3.29Å; T157-L159 VanDerWaalsContact C-N 3.33Å; T157-L159 PolarHBondContact O-N 3.1Å; T157-Q160 WeakPolarHBondContact O-CB 3.48Å; T157-Q160 PolarHBondContact O-N 3.28Å; T157-H161 PolarHBondContact O-N 2.98Å; T157-H161 VanDerWaalsContact O-N 3.12Å
158S96.3Very high93.3Very high28 Ų2864.5 Ų64.520%0.19631%0.307CS..Hα-helixtrans-63.5-38.4178.6-60.10000112.4T154 V155 A156 Q160 H161 L162T154-S158 PolarHBondContact O-N 3.12Å; T154-S158 PolarHBondContact O-OG 3.11Å; T154-S158 VanDerWaalsContact O-OG 3.1Å; V155-S158 PolarHBondContact O-N 3.44Å; A156-S158 PolarHBondContact O-N 2.88Å; S158-Q160 VanDerWaalsContact C-N 3.35Å; S158-H161 WeakPolarHBondContact O-CB 3.13Å; S158-H161 PolarHBondContact O-N 3.43Å; S158-L162 PolarHBondContact O-N 2.74Å
159L97Very high93.8Very high0 Ų060.8 Ų60.80%029%0.293CS..Hα-helixtrans-66.1-36.7174.4-71.5163.8000112.2V142 V155 A156 T157 H161 L162 F171 I213 T214 L218V142-L159 HydrophobicContact CG2-CD2 4.28Å; V142-L159 HydrophobicContact CG2-CG 4.49Å; V155-L159 HydrophobicContact CG1-CD1 3.69Å; V155-L159 HydrophobicContact CG1-CG 4.29Å; V155-L159 WeakPolarHBondContact O-CB 2.92Å; V155-L159 WeakPolarHBondContact O-CD1 3.28Å; V155-L159 VanDerWaalsContact O-CG 3.23Å; V155-L159 WeakPolarHBondContact O-CG 3.47Å; V155-L159 PolarHBondContact O-N 3.46Å; A156-L159 PolarHBondContact O-N 3.15Å; T157-L159 VanDerWaalsContact C-N 3.33Å; T157-L159 PolarHBondContact O-N 3.1Å; L159-H161 VanDerWaalsContact C-N 3.27Å; L159-H161 PolarHBondContact O-N 3.33Å; L159-L162 WeakPolarHBondContact O-CB 3.46Å; L159-L162 PolarHBondContact O-N 2.87Å; L159-F171 HydrophobicContact CD2-CD2 4.21Å; L159-F171 HydrophobicContact CD2-CE1 4.01Å; L159-F171 HydrophobicContact CD2-CE2 3.72Å; L159-F171 HydrophobicContact CD2-CZ 3.6Å; L159-I213 HydrophobicContact CD1-CG2 3.87Å; L159-T214 HydrophobicContact CD2-CG2 4.22Å; L159-L218 HydrophobicContact CB-CD2 4.37Å; L159-L218 HydrophobicContact CD2-CD1 3.94Å; L159-L218 HydrophobicContact CD2-CD2 4.27Å; L159-L218 HydrophobicContact CD2-CG 4.07Å
160Q96.2Very high94.4Very high94 Ų9454.3 Ų54.344%0.43926%0.262SS..Hα-helixtrans-61.7-37.1174.4-69.9-67.3-21.100111.4A156 T157 S158 L162 R163A156-Q160 VanDerWaalsContact O-CG 3.26Å; A156-Q160 WeakPolarHBondContact O-CG 3.48Å; A156-Q160 PolarHBondContact O-N 3.18Å; T157-Q160 WeakPolarHBondContact O-CB 3.48Å; T157-Q160 PolarHBondContact O-N 3.28Å; S158-Q160 VanDerWaalsContact C-N 3.35Å; Q160-L162 PolarHBondContact O-N 3.38Å; Q160-R163 WeakPolarHBondContact O-CB 3.45Å; Q160-R163 WeakPolarHBondContact O-CG 3.2Å; Q160-R163 PolarHBondContact O-N 3.33Å; Q160-R163 VanDerWaalsContact O-N 3.14Å
161H94.6Very high95Very high79 Ų7950 Ų5037%0.36624%0.242SC..Hα-helixtrans-64.4-20.9174.1-63.3169.5000113.8R47 T157 S158 L159 R163R47-H161 PolarHBondContact NH2-O 3.45Å; T157-H161 PolarHBondContact O-N 2.98Å; T157-H161 VanDerWaalsContact O-N 3.12Å; S158-H161 WeakPolarHBondContact O-CB 3.13Å; S158-H161 PolarHBondContact O-N 3.43Å; L159-H161 VanDerWaalsContact C-N 3.27Å; L159-H161 PolarHBondContact O-N 3.33Å; H161-R163 VanDerWaalsContact C-N 3.32Å
162L96.6Very high95.5Very high0 Ų050.2 Ų50.20%024%0.243CC..THydrogen-bonded Turntrans-81.6-13.7177.2-60.8-177.1000112.9K119 V142 S158 L159 Q160 D164 Y165 Y169 F171 L218K119-L162 HydrophobicContact CB-CD1 4.41Å; K119-L162 HydrophobicContact CD-CD2 4.24Å; K119-L162 HydrophobicContact CG-CD1 4.07Å; K119-L162 HydrophobicContact CG-CD2 4.36Å; V142-L162 HydrophobicContact CG2-CD1 3.92Å; S158-L162 PolarHBondContact O-N 2.74Å; L159-L162 WeakPolarHBondContact O-CB 3.46Å; L159-L162 PolarHBondContact O-N 2.87Å; Q160-L162 PolarHBondContact O-N 3.38Å; L162-D164 PolarHBondContact O-N 3.38Å; L162-Y165 HydrophobicContact CD2-CD2 4.14Å; L162-Y165 VanDerWaalsContact O-CB 3.32Å; L162-Y165 WeakPolarHBondContact O-CB 3.38Å; L162-Y165 PolarHBondContact O-N 2.71Å; L162-Y165 VanDerWaalsContact O-N 3.13Å; L162-Y169 HydrophobicContact CB-CE1 4.44Å; L162-Y169 PolarHBondContact O-OH 2.84Å; L162-F171 HydrophobicContact CD1-CD2 3.88Å; L162-F171 HydrophobicContact CD1-CE2 4.15Å; L162-L218 HydrophobicContact CB-CD2 4.37Å
163R96.9Very high96Very high87 Ų8744.2 Ų44.233%0.32822%0.221SC..THydrogen-bonded Turntrans-62.5-32.3-176.7-66.8-177.366.589.11.6113.4Q160 H161 S217 R219 V221Q160-R163 WeakPolarHBondContact O-CB 3.45Å; Q160-R163 WeakPolarHBondContact O-CG 3.2Å; Q160-R163 PolarHBondContact O-N 3.33Å; Q160-R163 VanDerWaalsContact O-N 3.14Å; H161-R163 VanDerWaalsContact C-N 3.32Å; R163-S217 PolarHBondContact NH1-O 3.02Å; R163-R219 PolarHBondContact NH1-O 3.22Å; R163-R219 PolarHBondContact NH2-O 3.4Å; R163-V221 HydrophobicContact CB-CG2 3.84Å; R163-V221 HydrophobicContact CG-CG2 3.84Å
164D95.8Very high96.3Very high75 Ų7538 Ų3840%0.40119%0.194SC..THydrogen-bonded Turntrans-107.622.4178.274.3-32.8000112.2Q44 R47 L162Q44-D164 PolarHBondContact NE2-O 3.46Å; Q44-D164 PolarHBondContact NE2-OD2 2.66Å; Q44-D164 PolarHBondContact OE1-O 3.29Å; R47-D164 IonicContact CZ-OD1 3.33Å; R47-D164 PolarHBondContact NH1-O 2.92Å; R47-D164 IonicContact NH1-OD1 3.9Å; R47-D164 PolarHBondContact NH1-OD1 2.75Å; R47-D164 IonicContact NH1-OD2 3.65Å; R47-D164 PolarHBondContact NH1-OD2 3.44Å; R47-D164 IonicContact NH2-OD1 2.71Å; R47-D164 PolarHBondContact NH2-OD1 3.48Å; L162-D164 PolarHBondContact O-N 3.38Å
165Y96.8Very high96.5Very high15 Ų1535 Ų356%0.05918%0.176CC..  trans-68.3131.6178.2-153.3-99.5000110.4R47 K119 E140 L162 E167 Y169R47-Y165 HydrophobicContact CB-CE2 4.11Å; R47-Y165 HydrophobicContact CG-CD2 4.29Å; R47-Y165 HydrophobicContact CG-CE2 3.85Å; K119-Y165 PolarHBondContact NZ-OH 2.89Å; E140-Y165 WeakPolarHBondContact OE2-CE2 3.21Å; L162-Y165 HydrophobicContact CD2-CD2 4.14Å; L162-Y165 VanDerWaalsContact O-CB 3.32Å; L162-Y165 WeakPolarHBondContact O-CB 3.38Å; L162-Y165 PolarHBondContact O-N 2.71Å; L162-Y165 VanDerWaalsContact O-N 3.13Å; Y165-E167 VanDerWaalsContact C-N 3.3Å; Y165-E167 HydrophobicContact CD1-CB 4.23Å; Y165-E167 HydrophobicContact CE1-CB 4.18Å; Y165-E167 PolarHBondContact O-N 2.89Å; Y165-Y169 HydrophobicContact CD1-CD1 4.4Å
166P95.8Very high96.6Very high42 Ų4234.7 Ų34.727%0.27317%0.174SC..SBendtrans-79-12.1-16727.5-32.2000114.5Q44 R47 K48Q44-P166 VanDerWaalsContact OE1-CB 3.26Å; Q44-P166 VanDerWaalsContact OE1-CG 3.24Å; R47-P166 HydrophobicContact CB-CG 3.69Å; K48-P166 HydrophobicContact CD-CB 4.41Å; K48-P166 HydrophobicContact CG-CB 3.94Å; K48-P166 HydrophobicContact CG-CG 3.73Å
167E95.6Very high96.4Very high40 Ų4034.9 Ų34.919%0.18718%0.178CC..SBendtrans-113.2149.1-177.8-61.2-74.1145.400109.2C51 R52 Y165C51-E167 HydrophobicContact CB-CG 4.17Å; R52-E167 IonicContact CZ-OE2 2.81Å; R52-E167 IonicContact NH1-OE2 3.08Å; R52-E167 PolarHBondContact NH1-OE2 3.37Å; R52-E167 VanDerWaalsContact NH2-CD 3.33Å; R52-E167 IonicContact NH2-OE1 3.19Å; R52-E167 PolarHBondContact NH2-OE1 2.71Å; R52-E167 IonicContact NH2-OE2 2.9Å; R52-E167 PolarHBondContact NH2-OE2 2.84Å; Y165-E167 VanDerWaalsContact C-N 3.3Å; Y165-E167 HydrophobicContact CD1-CB 4.23Å; Y165-E167 HydrophobicContact CE1-CB 4.18Å; Y165-E167 PolarHBondContact O-N 2.89Å
168K96.8Very high96.3Very high99 Ų9931.9 Ų31.943%0.4316%0.159SC..  trans-64.5144.4171.7-66.4-61-173.6-176.70110K87 N89 L114K87-K168 WeakPolarHBondContact O-CE 3.08Å; N89-K168 WeakPolarHBondContact OD1-CA 2.96Å; N89-K168 WeakPolarHBondContact OD1-CD 3.42Å; L114-K168 HydrophobicContact CD2-CB 3.43Å; L114-K168 VanDerWaalsContact CD2-CB 3.43Å; L114-K168 WeakPolarHBondContact CD2-O 3.34Å
169Y97.4Very high96.2Very high0 Ų031.7 Ų31.70%015%0.154CC..  trans-144.3150.9-17963.9-93.6000113.2N89 A90 G117 K119 L162 Y165 F171 V222N89-Y169 WeakPolarHBondContact CA-O 3.46Å; N89-Y169 HydrophobicContact CB-CE1 4.33Å; N89-Y169 WeakPolarHBondContact OD1-CD1 3.23Å; N89-Y169 PolarHBondContact OD1-N 3.47Å; A90-Y169 PolarHBondContact N-O 2.85Å; G117-Y169 WeakPolarHBondContact O-CB 3.42Å; K119-Y169 HydrophobicContact CG-CD2 4.06Å; K119-Y169 HydrophobicContact CG-CG 4.22Å; L162-Y169 HydrophobicContact CB-CE1 4.44Å; L162-Y169 PolarHBondContact O-OH 2.84Å; Y165-Y169 HydrophobicContact CD1-CD1 4.4Å; Y169-F171 HydrophobicContact CD2-CB 4.16Å; Y169-F171 HydrophobicContact CE2-CB 4.07Å; Y169-V222 HydrophobicContact CE2-CG1 4.48Å
170F97.9Very high96.1Very high19 Ų1932.8 Ų32.88%0.08316%0.159CC..EExtended strand (participates in β ladder)trans-98.1127.6160.3-69.3-19000109.2A90 V92 L114 K119 Y226A90-F170 HydrophobicContact CB-CD1 3.97Å; A90-F170 HydrophobicContact CB-CE1 4.13Å; A90-F170 WeakPolarHBondContact O-CA 3.22Å; V92-F170 HydrophobicContact CG2-CB 3.78Å; V92-F170 HydrophobicContact CG2-CD1 4.46Å; V92-F170 HydrophobicContact CG2-CD2 4.35Å; V92-F170 HydrophobicContact CG2-CG 3.97Å; L114-F170 HydrophobicContact CD1-CD1 3.62Å; L114-F170 HydrophobicContact CD1-CD2 3.84Å; L114-F170 HydrophobicContact CD1-CE1 3.36Å; L114-F170 HydrophobicContact CD1-CE2 3.61Å; L114-F170 HydrophobicContact CD1-CG 3.86Å; L114-F170 HydrophobicContact CD1-CZ 3.37Å; K119-F170 PolarHBondContact N-O 3.36Å; K119-F170 VanDerWaalsContact O-O 3.07Å; F170-Y226 HydrophobicContact CD1-CE2 4.39Å; F170-Y226 HydrophobicContact CE1-CD2 4.04Å; F170-Y226 AromaticContact CE1-CE2 3.51Å; F170-Y226 HydrophobicContact CE1-CE2 3.51Å; F170-Y226 HydrophobicContact CZ-CD2 4.12Å; F170-Y226 AromaticContact CZ-CE2 3.64Å; F170-Y226 HydrophobicContact CZ-CE2 3.64Å
171F98.4Very high96Very high0 Ų030 Ų300%015%0.149CC..EExtended strand (participates in β ladder)trans-100.599.8174.6-175.3-91.7000109.9A90 I91 V92 K119 L121 V142 L159 L162 Y169 I173 T214 L218A90-F171 PolarHBondContact O-N 3.22Å; I91-F171 CarbonylContact C-O 3.59Å; I91-F171 WeakPolarHBondContact CA-O 3.44Å; V92-F171 PolarHBondContact N-O 3.32Å; K119-F171 HydrophobicContact CB-CB 4.48Å; K119-F171 HydrophobicContact CB-CD2 3.6Å; K119-F171 HydrophobicContact CB-CE2 4.28Å; K119-F171 HydrophobicContact CB-CG 4.47Å; L121-F171 HydrophobicContact CB-CE1 4.25Å; L121-F171 HydrophobicContact CB-CZ 3.89Å; V142-F171 HydrophobicContact CB-CE2 3.87Å; V142-F171 HydrophobicContact CB-CZ 4.14Å; V142-F171 HydrophobicContact CG1-CZ 4.42Å; V142-F171 HydrophobicContact CG2-CE2 3.57Å; V142-F171 HydrophobicContact CG2-CZ 4.2Å; L159-F171 HydrophobicContact CD2-CD2 4.21Å; L159-F171 HydrophobicContact CD2-CE1 4.01Å; L159-F171 HydrophobicContact CD2-CE2 3.72Å; L159-F171 HydrophobicContact CD2-CZ 3.6Å; L162-F171 HydrophobicContact CD1-CD2 3.88Å; L162-F171 HydrophobicContact CD1-CE2 4.15Å; Y169-F171 HydrophobicContact CD2-CB 4.16Å; Y169-F171 HydrophobicContact CE2-CB 4.07Å; F171-I173 HydrophobicContact CE1-CB 4.44Å; F171-T214 HydrophobicContact CD1-CG2 3.51Å; F171-T214 HydrophobicContact CE1-CG2 3.44Å; F171-T214 VanDerWaalsContact CE1-CG2 3.44Å; F171-T214 HydrophobicContact CZ-CG2 4.47Å; F171-L218 HydrophobicContact CB-CD1 4.29Å; F171-L218 HydrophobicContact CD1-CD1 4.41Å; F171-L218 HydrophobicContact CG-CD1 4.21Å
172L98.4Very high96Very high23 Ų2332 Ų3212%0.1216%0.158CC..EExtended strand (participates in β ladder)trans-76.8131.2-179.3177.363.4000111.9V92 L94 K119 V120 L121V92-L172 HydrophobicContact CB-CD1 4.24Å; V92-L172 HydrophobicContact CG1-CD1 3.92Å; V92-L172 WeakPolarHBondContact O-CA 3.47Å; L94-L172 HydrophobicContact CB-CD1 3.58Å; L94-L172 HydrophobicContact CD2-CD1 4.13Å; K119-L172 WeakPolarHBondContact O-CB 3.38Å; K119-L172 PolarHBondContact O-N 3.18Å; V120-L172 CarbonylContact C-O 3.51Å; V120-L172 VanDerWaalsContact CA-O 3.29Å; V120-L172 WeakPolarHBondContact CA-O 3.15Å; V120-L172 HydrophobicContact CB-CB 4.07Å; V120-L172 HydrophobicContact CB-CD2 4.5Å; V120-L172 HydrophobicContact CG2-CB 4.03Å; V120-L172 HydrophobicContact CG2-CD2 4.01Å; V120-L172 HydrophobicContact CG2-CG 4.04Å; L121-L172 PolarHBondContact N-O 2.94Å
173I97.8Very high96Very high6 Ų639.3 Ų39.33%0.03119%0.19CC..EExtended strand (participates in β ladder)trans-134.4128.8168.5-172.6170.1000110.3I91 V92 V93 L94 L121 F171 F211I91-I173 HydrophobicContact CG2-CG2 3.98Å; V92-I173 PolarHBondContact O-N 2.91Å; V93-I173 WeakPolarHBondContact CA-O 3.5Å; V93-I173 HydrophobicContact CG2-CG2 4.03Å; L94-I173 PolarHBondContact N-O 3.42Å; L121-I173 HydrophobicContact CB-CG1 4.4Å; L121-I173 HydrophobicContact CD2-CD1 3.74Å; L121-I173 HydrophobicContact CD2-CG1 4.05Å; F171-I173 HydrophobicContact CE1-CB 4.44Å; I173-F211 HydrophobicContact CD1-CB 4.46Å; I173-F211 HydrophobicContact CG2-CD2 4.39Å
174H97.4Very high95.9Very high31 Ų3136.1 Ų36.114%0.14418%0.179CC..  trans-95.296.9170.1-67.2-70.6000108.8L94 N95 H96 E176 G177L94-H174 PolarHBondContact O-ND1 2.99Å; N95-H174 PolarHBondContact O-ND1 3.14Å; H96-H174 HydrophobicContact CB-CB 3.95Å; H96-H174 AromaticContact CD2-CG 3.96Å; H96-H174 AromaticContact CG-CG 3.75Å; H96-H174 AromaticContact CG-ND1 3.73Å; H96-H174 AromaticContact ND1-CE1 3.78Å; H96-H174 AromaticContact ND1-ND1 3.94Å; H96-H174 AromaticContact ND1-NE2 3.96Å; H174-E176 PolarHBondContact O-N 2.59Å; H174-G177 WeakPolarHBondContact O-CA 3.44Å; H174-G177 PolarHBondContact O-N 3.05Å
175C96.9Very high96Very high3 Ų333.6 Ų33.62%0.0216%0.164CC..THydrogen-bonded Turntrans-67.1-19.7-175.4-63.10000112.8G177 P206 R207 L274 Y278C175-G177 PolarHBondContact O-N 3.31Å; C175-P206 HydrophobicContact CB-CB 4Å; C175-P206 CarbonylContact O-C 3.55Å; C175-R207 WeakPolarHBondContact O-CB 3.1Å; C175-R207 PolarHBondContact O-N 3.06Å; C175-L274 HydrophobicContact CB-CD1 4.49Å; C175-L274 HydrophobicContact CB-CD2 4.05Å; C175-Y278 HydrophobicContact CB-CE2 3.74Å; C175-Y278 WeakPolarHBondContact CB-OH 3.42Å
176E95.4Very high96Very high1 Ų137.9 Ų37.91%0.00519%0.185CC..THydrogen-bonded Turntrans-60.4-26.6169.4-62.1-174.9-114.900112.2N95 H96 H174 T178 H203 L204 Y278N95-E176 WeakPolarHBondContact CA-OE1 3.26Å; N95-E176 WeakPolarHBondContact CB-OE1 3.12Å; H96-E176 PolarHBondContact N-OE1 3.42Å; H174-E176 PolarHBondContact O-N 2.59Å; E176-T178 PolarHBondContact O-N 3.27Å; E176-H203 IonicContact OE1-ND1 3.98Å; E176-L204 HydrophobicContact CB-CB 4.12Å; E176-L204 HydrophobicContact CB-CD1 4.42Å; E176-L204 HydrophobicContact CG-CB 4.16Å; E176-L204 WeakPolarHBondContact OE2-CG 3.44Å; E176-L204 PolarHBondContact OE2-N 3.11Å; E176-Y278 HydrophobicContact CG-CE1 3.55Å; E176-Y278 PolarHBondContact N-OH 3.39Å
177G91.4Very high96Very high24 Ų2437.6 Ų37.625%0.24718%0.181CC..SBendtrans74.9-4.6177.100000114.9H174 C175H174-G177 WeakPolarHBondContact O-CA 3.44Å; H174-G177 PolarHBondContact O-N 3.05Å; C175-G177 PolarHBondContact O-N 3.31Å
178T92.2Very high96.1Very high3 Ų335.7 Ų35.72%0.01817%0.172CC..SBendtrans-163.2160.8176.2-164.10000109.6H96 E176 K184 L204 S365 Y367H96-T178 VanDerWaalsContact CD2-C 3.44Å; E176-T178 PolarHBondContact O-N 3.27Å; T178-K184 HydrophobicContact CG2-CD 3.74Å; T178-K184 PolarHBondContact OG1-NZ 3.34Å; T178-L204 HydrophobicContact CG2-CD1 3.56Å; T178-S365 WeakPolarHBondContact CB-OG 3.33Å; T178-S365 PolarHBondContact OG1-O 3.23Å; T178-S365 PolarHBondContact OG1-OG 2.74Å; T178-Y367 HydrophobicContact CG2-CD2 3.67Å; T178-Y367 HydrophobicContact CG2-CG 4.35Å
179R94Very high96.1Very high24 Ų2431.2 Ų31.29%0.09115%0.153CC..  trans-65.9137.5172.7-71.6-170.2-173.4108.2-9.4111.7H96 F98 E99 K184 T359 E360 I361H96-R179 PolarHBondContact CD2-N 3.25Å; H96-R179 WeakPolarHBondContact CE1-CG 3.36Å; H96-R179 PolarHBondContact CE1-NE 2.85Å; H96-R179 WeakPolarHBondContact ND1-CG 3.39Å; H96-R179 WeakPolarHBondContact NE2-CG 3.45Å; H96-R179 CarbonylContact O-C 3.52Å; H96-R179 VanDerWaalsContact O-CA 3.25Å; H96-R179 WeakPolarHBondContact O-CA 3.25Å; F98-R179 WeakPolarHBondContact O-CD 3.48Å; F98-R179 PolarHBondContact O-NE 3.36Å; E99-R179 PolarHBondContact O-NH2 2.85Å; R179-K184 VanDerWaalsContact O-CD 3.27Å; R179-K184 WeakPolarHBondContact O-CD 3.24Å; R179-K184 PolarHBondContact O-NZ 3.25Å; R179-T359 PolarHBondContact NH1-O 3.3Å; R179-T359 PolarHBondContact NH2-O 3.34Å; R179-E360 PolarHBondContact NH1-O 3.49Å; R179-I361 HydrophobicContact CB-CG2 4.03Å
180F95.4Very high96Very high23 Ų2336.5 Ų36.510%0.10118%0.177CC..  trans-55.8131.3171.4-174.5-78.1000110.7H96 K97 H185 H202 L204H96-F180 PolarHBondContact O-N 3.03Å; K97-F180 HydrophobicContact CB-CB 4.19Å; K97-F180 HydrophobicContact CG-CB 4.22Å; F180-H185 HydrophobicContact CD2-CB 4.46Å; F180-H185 HydrophobicContact CE1-CB 4.35Å; F180-H185 HydrophobicContact CE2-CB 3.68Å; F180-H185 AromaticContact CE2-CD2 3.4Å; F180-H185 VanDerWaalsContact CE2-CD2 3.4Å; F180-H185 WeakPolarHBondContact CE2-CD2 3.39Å; F180-H185 AromaticContact CE2-CG 3.7Å; F180-H185 HydrophobicContact CZ-CB 3.59Å; F180-H185 AromaticContact CZ-CD2 3.82Å; F180-H185 AromaticContact CZ-CG 3.7Å; F180-H202 WeakPolarHBondContact CD2-O 3.49Å; F180-H202 WeakPolarHBondContact CE2-O 3.48Å; F180-L204 HydrophobicContact CD2-CD2 4.07Å; F180-L204 HydrophobicContact CD2-CG 4.16Å; F180-L204 HydrophobicContact CE2-CD2 4.46Å
181T95.3Very high95.9Very high36 Ų3637.8 Ų37.822%0.22119%0.187CC..  trans-142.8155162.6660000107.2K183 K184 H185 I361T181-K183 VanDerWaalsContact C-N 3.29Å; T181-K183 PolarHBondContact O-N 3.23Å; T181-K184 HydrophobicContact CG2-CD 4.43Å; T181-K184 PolarHBondContact O-N 3.16Å; T181-K184 WeakPolarHBondContact OG1-CD 3.22Å; T181-K184 VanDerWaalsContact OG1-CG 3.28Å; T181-K184 WeakPolarHBondContact OG1-CG 3.41Å; T181-K184 PolarHBondContact OG1-N 3.31Å; T181-H185 PolarHBondContact O-N 2.97Å; T181-I361 HydrophobicContact CG2-CG2 3.48Å; T181-I361 VanDerWaalsContact CG2-CG2 3.48Å
182E94.8Very high95.8Very high120 Ų12037.8 Ų37.856%0.56119%0.187SC*.Hα-helixtrans-52.9-48-178.6-162.759.8-148.200111.8K184 H185 E186E182-K184 VanDerWaalsContact C-N 3.31Å; E182-K184 PolarHBondContact O-N 3.33Å; E182-H185 WeakPolarHBondContact O-CA 3.5Å; E182-H185 WeakPolarHBondContact O-CB 3.25Å; E182-H185 PolarHBondContact O-N 2.91Å; E182-E186 WeakPolarHBondContact O-CG 3.43Å; E182-E186 PolarHBondContact O-N 3.44Å
183K95.1Very high95.7Very high154 Ų15443 Ų4367%0.6721%0.205SC*.Hα-helixtrans-56.1-41.2175.9-177.6175.2-178.2173.30113.5T181 I187T181-K183 VanDerWaalsContact C-N 3.29Å; T181-K183 PolarHBondContact O-N 3.23Å; K183-I187 WeakPolarHBondContact O-CD1 3.45Å; K183-I187 WeakPolarHBondContact O-CG1 3.49Å; K183-I187 PolarHBondContact O-N 3.43Å
184K95.6Very high95.6Very high21 Ų2147 Ų479%0.09124%0.239CC..Hα-helixtrans-74.5-32.6178.9-68172.7-1731730111.3T178 R179 T181 E182 I187 S188 L204 S365 Y367T178-K184 HydrophobicContact CG2-CD 3.74Å; T178-K184 PolarHBondContact OG1-NZ 3.34Å; R179-K184 VanDerWaalsContact O-CD 3.27Å; R179-K184 WeakPolarHBondContact O-CD 3.24Å; R179-K184 PolarHBondContact O-NZ 3.25Å; T181-K184 HydrophobicContact CG2-CD 4.43Å; T181-K184 PolarHBondContact O-N 3.16Å; T181-K184 WeakPolarHBondContact OG1-CD 3.22Å; T181-K184 VanDerWaalsContact OG1-CG 3.28Å; T181-K184 WeakPolarHBondContact OG1-CG 3.41Å; T181-K184 PolarHBondContact OG1-N 3.31Å; E182-K184 VanDerWaalsContact C-N 3.31Å; E182-K184 PolarHBondContact O-N 3.33Å; K184-I187 PolarHBondContact O-N 2.96Å; K184-S188 WeakPolarHBondContact O-CB 3.34Å; K184-S188 PolarHBondContact O-N 2.77Å; K184-L204 HydrophobicContact CB-CD1 4.27Å; K184-L204 HydrophobicContact CB-CD2 4.14Å; K184-S365 VanDerWaalsContact CE-O 3.25Å; K184-S365 WeakPolarHBondContact CE-O 3.3Å; K184-S365 PolarHBondContact NZ-O 3.45Å; K184-Y367 HydrophobicContact CB-CG 4.44Å
185H97.3Very high95.5Very high21 Ų2152.8 Ų52.810%0.09726%0.263CS..Hα-helixtrans-64.8-46.6175.3178.6-98.5000111.3F180 T181 E182 I187 S188 M189 L200 K201 L204F180-H185 HydrophobicContact CD2-CB 4.46Å; F180-H185 HydrophobicContact CE1-CB 4.35Å; F180-H185 HydrophobicContact CE2-CB 3.68Å; F180-H185 AromaticContact CE2-CD2 3.4Å; F180-H185 VanDerWaalsContact CE2-CD2 3.4Å; F180-H185 WeakPolarHBondContact CE2-CD2 3.39Å; F180-H185 AromaticContact CE2-CG 3.7Å; F180-H185 HydrophobicContact CZ-CB 3.59Å; F180-H185 AromaticContact CZ-CD2 3.82Å; F180-H185 AromaticContact CZ-CG 3.7Å; T181-H185 PolarHBondContact O-N 2.97Å; E182-H185 WeakPolarHBondContact O-CA 3.5Å; E182-H185 WeakPolarHBondContact O-CB 3.25Å; E182-H185 PolarHBondContact O-N 2.91Å; H185-I187 VanDerWaalsContact C-N 3.32Å; H185-I187 PolarHBondContact O-N 2.78Å; H185-S188 CarbonylContact O-C 3.47Å; H185-S188 WeakPolarHBondContact O-CA 3.4Å; H185-S188 WeakPolarHBondContact O-CB 3.33Å; H185-S188 PolarHBondContact O-N 3.12Å; H185-M189 WeakPolarHBondContact O-CG 3.35Å; H185-M189 PolarHBondContact O-N 2.84Å; H185-L200 PolarHBondContact NE2-O 3.24Å; H185-K201 PolarHBondContact NE2-O 3.11Å; H185-L204 VanDerWaalsContact CA-CD2 3.45Å; H185-L204 HydrophobicContact CB-CD2 4Å
186E96.9Very high95.4Very high106 Ų10655.9 Ų55.950%0.49530%0.296SS..Hα-helixtrans-53.2-48.7173.6-71.1173.7173.400112E182 M189 Q190E182-E186 WeakPolarHBondContact O-CG 3.43Å; E182-E186 PolarHBondContact O-N 3.44Å; E186-M189 PolarHBondContact O-N 3.49Å; E186-Q190 WeakPolarHBondContact O-CG 3.35Å; E186-Q190 PolarHBondContact O-N 2.91Å
187I96.4Very high95.4Very high36 Ų3658.1 Ų58.119%0.18531%0.308CS..Hα-helixtrans-61.7-44.6176.2-64166.7000110.6K183 K184 H185 M189 Q190 V191 Y367K183-I187 WeakPolarHBondContact O-CD1 3.45Å; K183-I187 WeakPolarHBondContact O-CG1 3.49Å; K183-I187 PolarHBondContact O-N 3.43Å; K184-I187 PolarHBondContact O-N 2.96Å; H185-I187 VanDerWaalsContact C-N 3.32Å; H185-I187 PolarHBondContact O-N 2.78Å; I187-M189 VanDerWaalsContact C-N 3.28Å; I187-M189 PolarHBondContact O-N 3.19Å; I187-Q190 WeakPolarHBondContact O-CB 3.36Å; I187-Q190 PolarHBondContact O-N 2.96Å; I187-V191 WeakPolarHBondContact O-CG2 3.4Å; I187-V191 PolarHBondContact O-N 3.25Å; I187-Y367 HydrophobicContact CB-CD1 4.36Å; I187-Y367 HydrophobicContact CG2-CD1 3.98Å
188S96.4Very high95.5Very high0 Ų059.9 Ų59.90%032%0.315CS..Hα-helixtrans-59.9-39.1177-162.20000112.3K184 H185 V191 A192 L205 Y367K184-S188 WeakPolarHBondContact O-CB 3.34Å; K184-S188 PolarHBondContact O-N 2.77Å; H185-S188 CarbonylContact O-C 3.47Å; H185-S188 WeakPolarHBondContact O-CA 3.4Å; H185-S188 WeakPolarHBondContact O-CB 3.33Å; H185-S188 PolarHBondContact O-N 3.12Å; S188-V191 PolarHBondContact O-N 2.95Å; S188-A192 PolarHBondContact O-N 3.37Å; S188-L205 PolarHBondContact OG-N 3.2Å; S188-Y367 PolarHBondContact OG-OH 3.11Å
189M97.1Very high95.8Very high5 Ų567.6 Ų67.63%0.02534%0.344CS..Hα-helixtrans-72.2-30.9177.1-67.1-53109.500113H185 E186 I187 A192 R193 R199 L200H185-M189 WeakPolarHBondContact O-CG 3.35Å; H185-M189 PolarHBondContact O-N 2.84Å; E186-M189 PolarHBondContact O-N 3.49Å; I187-M189 VanDerWaalsContact C-N 3.28Å; I187-M189 PolarHBondContact O-N 3.19Å; M189-A192 PolarHBondContact O-N 3.31Å; M189-R193 WeakPolarHBondContact O-CG 3.45Å; M189-R193 PolarHBondContact O-N 2.85Å; M189-R193 PolarHBondContact O-NH1 2.81Å; M189-R199 HydrophobicContact SD-CB 3.75Å; M189-R199 HydrophobicContact SD-CG 4.09Å; M189-L200 HydrophobicContact CE-CB 4.04Å; M189-L200 WeakPolarHBondContact CE-O 3.43Å; M189-L200 PolarHBondContact SD-N 3.24Å; M189-L200 VanDerWaalsContact SD-N 3.4Å
190Q96.4Very high95.9Very high110 Ų11066.8 Ų66.851%0.51434%0.341SS..Hα-helixtrans-63.3-45.7169-70.1171.3700110.9E186 I187 A192 R193 A194E186-Q190 WeakPolarHBondContact O-CG 3.35Å; E186-Q190 PolarHBondContact O-N 2.91Å; I187-Q190 WeakPolarHBondContact O-CB 3.36Å; I187-Q190 PolarHBondContact O-N 2.96Å; Q190-A192 VanDerWaalsContact C-N 3.31Å; Q190-A192 PolarHBondContact O-N 3.03Å; Q190-R193 VanDerWaalsContact CG-NH2 3.33Å; Q190-R193 PolarHBondContact O-N 3.03Å; Q190-A194 WeakPolarHBondContact O-CB 3.44Å; Q190-A194 PolarHBondContact O-N 3.2Å
191V95.3Very high96Very high47 Ų4771.6 Ų71.629%0.28536%0.362SS..Hα-helixtrans-61.7-39.9175175.80000111.1I187 S188 A194 K195 L205I187-V191 WeakPolarHBondContact O-CG2 3.4Å; I187-V191 PolarHBondContact O-N 3.25Å; S188-V191 PolarHBondContact O-N 2.95Å; V191-A194 PolarHBondContact O-N 2.8Å; V191-K195 HydrophobicContact CG1-CD 3.92Å; V191-K195 HydrophobicContact CG1-CG 4.4Å; V191-K195 WeakPolarHBondContact O-CB 3.45Å; V191-K195 WeakPolarHBondContact O-CG 3.44Å; V191-K195 PolarHBondContact O-N 3.47Å; V191-L205 HydrophobicContact CB-CD1 4.41Å; V191-L205 HydrophobicContact CG1-CD1 4.18Å
192A96.1Very high96.1Very high0 Ų071.4 Ų71.40%036%0.359CS..Hα-helixtrans-57.9-50.217600000111.3S188 M189 Q190 A194 K195 G196 L197 R199 L205S188-A192 PolarHBondContact O-N 3.37Å; M189-A192 PolarHBondContact O-N 3.31Å; Q190-A192 VanDerWaalsContact C-N 3.31Å; Q190-A192 PolarHBondContact O-N 3.03Å; A192-A194 PolarHBondContact O-N 2.88Å; A192-K195 PolarHBondContact O-N 3.33Å; A192-G196 PolarHBondContact O-N 3.38Å; A192-L197 HydrophobicContact CB-CB 4.41Å; A192-L197 PolarHBondContact O-N 3.49Å; A192-R199 HydrophobicContact CB-CG 4.41Å; A192-L205 HydrophobicContact CB-CD1 3.75Å; A192-L205 HydrophobicContact CB-CD2 4.28Å; A192-L205 HydrophobicContact CB-CG 4.27Å
193R96.4Very high96.3Very high133 Ų13365.8 Ų65.850%0.50233%0.332SS..Hα-helixtrans-60.1-47.8177.1-71.9-172.1-65.6-88.59.2112.2M189 Q190 K195 G196M189-R193 WeakPolarHBondContact O-CG 3.45Å; M189-R193 PolarHBondContact O-N 2.85Å; M189-R193 PolarHBondContact O-NH1 2.81Å; Q190-R193 VanDerWaalsContact CG-NH2 3.33Å; Q190-R193 PolarHBondContact O-N 3.03Å; R193-K195 PolarHBondContact O-N 3.29Å; R193-G196 PolarHBondContact O-N 2.69Å
194A96.1Very high96.4Very high90 Ų9058.5 Ų58.574%0.74430%0.3SS*.Hα-helixtrans-62.2-31.1-178.500000113Q190 V191 A192Q190-A194 WeakPolarHBondContact O-CB 3.44Å; Q190-A194 PolarHBondContact O-N 3.2Å; V191-A194 PolarHBondContact O-N 2.8Å; A192-A194 PolarHBondContact O-N 2.88Å
195K94.4Very high96.5Very high151 Ų15157.9 Ų57.966%0.65730%0.298SS*.THydrogen-bonded Turntrans-972.7179.9-65.5-173.9176.3-174.10114.1V191 A192 R193 L197V191-K195 HydrophobicContact CG1-CD 3.92Å; V191-K195 HydrophobicContact CG1-CG 4.4Å; V191-K195 WeakPolarHBondContact O-CB 3.45Å; V191-K195 WeakPolarHBondContact O-CG 3.44Å; V191-K195 PolarHBondContact O-N 3.47Å; A192-K195 PolarHBondContact O-N 3.33Å; R193-K195 PolarHBondContact O-N 3.29Å; K195-L197 HydrophobicContact CB-CD1 4.01Å; K195-L197 HydrophobicContact CB-CG 3.95Å; K195-L197 HydrophobicContact CD-CD1 4.3Å; K195-L197 PolarHBondContact O-N 2.95Å
196G95.1Very high96.5Very high69 Ų6957.3 Ų57.371%0.71130%0.296SS*.THydrogen-bonded Turntrans6325.3-174.800000114A192 R193A192-G196 PolarHBondContact O-N 3.38Å; R193-G196 PolarHBondContact O-N 2.69Å
197L95.1Very high96.3Very high48 Ų4857.8 Ų57.825%0.25129%0.293SS..PPolyproline II helixtrans-87.6148.9178.2-64.9172.1000111A192 K195 R199 L205A192-L197 HydrophobicContact CB-CB 4.41Å; A192-L197 PolarHBondContact O-N 3.49Å; K195-L197 HydrophobicContact CB-CD1 4.01Å; K195-L197 HydrophobicContact CB-CG 3.95Å; K195-L197 HydrophobicContact CD-CD1 4.3Å; K195-L197 PolarHBondContact O-N 2.95Å; L197-R199 PolarHBondContact O-N 3.12Å; L197-L205 HydrophobicContact CD1-CD1 4.03Å
198P95.4Very high96.2Very high61 Ų6157.4 Ų57.440%0.39629%0.293SS..PPolyproline II helixtrans-54.2139.3172-27.636.7000112.3Q279P198-Q279 HydrophobicContact CB-CG 4.2Å
199R96.4Very high96Very high165 Ų16563 Ų6362%0.62332%0.317SS*.PPolyproline II helixtrans-80.5136.8175.8-67.3175.762.9-169.2-2.6109.5M189 A192 L197M189-R199 HydrophobicContact SD-CB 3.75Å; M189-R199 HydrophobicContact SD-CG 4.09Å; A192-R199 HydrophobicContact CB-CG 4.41Å; L197-R199 PolarHBondContact O-N 3.12Å
200L97.8Very high95.9Very high7 Ų763.8 Ų63.84%0.03733%0.326CS..  trans-105.6142.8175.7-54.9179.6000108.6H185 M189 H203 L205 Y278 Q279 D282H185-L200 PolarHBondContact NE2-O 3.24Å; M189-L200 HydrophobicContact CE-CB 4.04Å; M189-L200 WeakPolarHBondContact CE-O 3.43Å; M189-L200 PolarHBondContact SD-N 3.24Å; M189-L200 VanDerWaalsContact SD-N 3.4Å; L200-H203 WeakPolarHBondContact CB-O 3.31Å; L200-H203 HydrophobicContact CD1-CB 4.11Å; L200-L205 HydrophobicContact CD1-CD2 4.24Å; L200-L205 HydrophobicContact CG-CD2 4.45Å; L200-Y278 HydrophobicContact CD1-CD1 4.47Å; L200-Q279 HydrophobicContact CD2-CB 4.44Å; L200-Q279 HydrophobicContact CD2-CG 3.85Å; L200-D282 HydrophobicContact CD2-CB 4.04Å
201K97.2Very high95.8Very high124 Ų12458.6 Ų58.654%0.53930%0.302SS..SBendtrans-89-37.9179.9-67.7-178.9178.9-179.30112.7H185 D282 E286H185-K201 PolarHBondContact NE2-O 3.11Å; K201-D282 VanDerWaalsContact N-CG 3.26Å; K201-D282 PolarHBondContact N-OD1 2.74Å; K201-D282 PolarHBondContact N-OD2 2.81Å; K201-E286 IonicContact NZ-OE1 2.69Å; K201-E286 PolarHBondContact NZ-OE1 2.73Å; K201-E286 IonicContact NZ-OE2 3.56Å
202H97.2Very high95.8Very high32 Ų3256.8 Ų56.815%0.14829%0.293CS..SBendtrans-118.4-6.7-167.4-57.3-62.3000114.3F180 D282 Q285 E286 Y289F180-H202 WeakPolarHBondContact CD2-O 3.49Å; F180-H202 WeakPolarHBondContact CE2-O 3.48Å; H202-D282 WeakPolarHBondContact CA-OD1 3.37Å; H202-D282 PolarHBondContact N-OD1 2.73Å; H202-Q285 HydrophobicContact CB-CB 3.96Å; H202-Q285 HydrophobicContact CB-CG 3.43Å; H202-Q285 VanDerWaalsContact CB-CG 3.43Å; H202-E286 IonicContact CD2-OE2 2.71Å; H202-E286 IonicContact CE1-OE2 3.98Å; H202-E286 PolarHBondContact CE1-OE2 3.24Å; H202-E286 IonicContact NE2-OE2 3.76Å; H202-E286 PolarHBondContact NE2-OE2 3.47Å; H202-Y289 AromaticContact CE1-CD2 3.46Å; H202-Y289 VanDerWaalsContact CE1-CD2 3.46Å; H202-Y289 WeakPolarHBondContact CE1-CD2 3.45Å; H202-Y289 AromaticContact CE1-CE2 3.65Å; H202-Y289 AromaticContact CG-CE2 3.97Å; H202-Y289 AromaticContact ND1-CD2 3.71Å; H202-Y289 AromaticContact ND1-CE2 3.38Å; H202-Y289 WeakPolarHBondContact ND1-CE2 3.5Å; H202-Y289 AromaticContact NE2-CD2 3.89Å
203H97.8Very high95.8Very high2 Ų257.1 Ų57.11%0.00929%0.294CS..SBendtrans-127.1155.1179.1-63.7-66.1000112.7N95 E176 L200 Y278 D282N95-H203 VanDerWaalsContact CB-CE1 3.42Å; N95-H203 WeakPolarHBondContact CB-CE1 3.19Å; E176-H203 IonicContact OE1-ND1 3.98Å; L200-H203 WeakPolarHBondContact CB-O 3.31Å; L200-H203 HydrophobicContact CD1-CB 4.11Å; H203-Y278 HydrophobicContact CB-CD1 3.97Å; H203-Y278 HydrophobicContact CB-CE1 4.32Å; H203-D282 IonicContact CD2-OD1 3.22Å; H203-D282 PolarHBondContact N-OD1 3.03Å
204L98Very high95.7Very high0 Ų050.8 Ų50.80%027%0.27CS..PPolyproline II helixtrans-76.3153.7163.5-54.1-179.2000110E176 T178 F180 K184 H185 Y367E176-L204 HydrophobicContact CB-CB 4.12Å; E176-L204 HydrophobicContact CB-CD1 4.42Å; E176-L204 HydrophobicContact CG-CB 4.16Å; E176-L204 WeakPolarHBondContact OE2-CG 3.44Å; E176-L204 PolarHBondContact OE2-N 3.11Å; T178-L204 HydrophobicContact CG2-CD1 3.56Å; F180-L204 HydrophobicContact CD2-CD2 4.07Å; F180-L204 HydrophobicContact CD2-CG 4.16Å; F180-L204 HydrophobicContact CE2-CD2 4.46Å; K184-L204 HydrophobicContact CB-CD1 4.27Å; K184-L204 HydrophobicContact CB-CD2 4.14Å; H185-L204 VanDerWaalsContact CA-CD2 3.45Å; H185-L204 HydrophobicContact CB-CD2 4Å; L204-Y367 HydrophobicContact CB-CE2 4.24Å; L204-Y367 HydrophobicContact CD1-CD2 3.97Å; L204-Y367 HydrophobicContact CD1-CE2 4.03Å
205L97.4Very high95.7Very high8 Ų846.7 Ų46.74%0.04224%0.236CC..PPolyproline II helixtrans-57.2132.6169.8-71.3178.6000110.6S188 V191 A192 L197 L200 Y367S188-L205 PolarHBondContact OG-N 3.2Å; V191-L205 HydrophobicContact CB-CD1 4.41Å; V191-L205 HydrophobicContact CG1-CD1 4.18Å; A192-L205 HydrophobicContact CB-CD1 3.75Å; A192-L205 HydrophobicContact CB-CD2 4.28Å; A192-L205 HydrophobicContact CB-CG 4.27Å; L197-L205 HydrophobicContact CD1-CD1 4.03Å; L200-L205 HydrophobicContact CD1-CD2 4.24Å; L200-L205 HydrophobicContact CG-CD2 4.45Å; L205-Y367 PolarHBondContact O-OH 3.28Å
206P96.8Very high95.8Very high9 Ų945.1 Ų45.16%0.05823%0.226CC..PPolyproline II helixtrans-70.4144.8-179.829.2-35.5000112.1C175 L274 Y278C175-P206 HydrophobicContact CB-CB 4Å; C175-P206 CarbonylContact O-C 3.55Å; P206-L274 HydrophobicContact CB-CD2 3.84Å; P206-L274 HydrophobicContact CB-CG 3.93Å; P206-L274 HydrophobicContact CG-CD2 4.45Å; P206-L274 HydrophobicContact CG-CG 4.17Å; P206-Y278 HydrophobicContact CB-CD1 4.4Å; P206-Y278 HydrophobicContact CB-CD2 3.57Å; P206-Y278 HydrophobicContact CB-CE1 4.48Å; P206-Y278 HydrophobicContact CB-CE2 3.65Å; P206-Y278 HydrophobicContact CB-CG 3.96Å; P206-Y278 HydrophobicContact CG-CD1 4.47Å; P206-Y278 HydrophobicContact CG-CD2 3.69Å; P206-Y278 HydrophobicContact CG-CE2 4.3Å; P206-Y278 HydrophobicContact CG-CG 3.78Å
207R93.8Very high95.8Very high116 Ų11642 Ų4244%0.43819%0.193SC..  trans-88.4108.2168.5-59-174.2-179.6-139.1-3.5108.8C175C175-R207 WeakPolarHBondContact O-CB 3.1Å; C175-R207 PolarHBondContact O-N 3.06Å
208T94.5Very high95.8Very high28 Ų2839.8 Ų39.817%0.17218%0.181CC..Hα-helixtrans-80.4-34.7-16855.80000113.6G210 F211 A212 S271 L274T208-G210 PolarHBondContact O-N 2.73Å; T208-F211 WeakPolarHBondContact O-CB 3.28Å; T208-F211 PolarHBondContact O-N 2.98Å; T208-F211 VanDerWaalsContact O-N 3.11Å; T208-A212 PolarHBondContact O-N 3.05Å; T208-S271 WeakPolarHBondContact CB-OG 3.22Å; T208-S271 VanDerWaalsContact CG2-OG 3.3Å; T208-S271 WeakPolarHBondContact CG2-OG 3.27Å; T208-S271 PolarHBondContact OG1-OG 3.05Å; T208-L274 HydrophobicContact CG2-CB 4.32Å; T208-L274 HydrophobicContact CG2-CD2 3.92Å
209K92.8Very high95.8Very high118 Ų11838.1 Ų38.151%0.51317%0.167SC..Hα-helixtrans-53.7-45.4-176.4-67.1-173174.8-173.30114.8W148 I213W148-K209 HydrophobicContact CD2-CD 3.8Å; W148-K209 HydrophobicContact CE3-CB 4.05Å; W148-K209 HydrophobicContact CE3-CD 4.13Å; W148-K209 HydrophobicContact CG-CD 4.21Å; W148-K209 HydrophobicContact CH2-CB 3.64Å; W148-K209 HydrophobicContact CH2-CD 4.23Å; W148-K209 HydrophobicContact CH2-CG 4.28Å; W148-K209 HydrophobicContact CZ2-CB 4.24Å; W148-K209 HydrophobicContact CZ2-CD 4Å; W148-K209 HydrophobicContact CZ2-CG 4.4Å; W148-K209 HydrophobicContact CZ3-CB 3.59Å; W148-K209 HydrophobicContact CZ3-CD 4.34Å; K209-I213 PolarHBondContact O-N 2.86Å; K209-I213 VanDerWaalsContact O-N 3.14Å
210G92.9Very high95.7Very high21 Ų2137.2 Ų37.222%0.21618%0.175CC..Hα-helixtrans-68.8-37.6-179.900000112.6T208 T214T208-G210 PolarHBondContact O-N 2.73Å; G210-T214 WeakPolarHBondContact O-CB 3.45Å; G210-T214 PolarHBondContact O-N 3.4Å; G210-T214 VanDerWaalsContact O-N 3.08Å; G210-T214 PolarHBondContact O-OG1 2.77Å
211F96.1Very high95.5Very high1 Ų138.4 Ų38.40%0.00418%0.182CC..Hα-helixtrans-65.9-47.3174.9179.1-102.6000111.5I91 V93 I173 T208 I213 T214 V215 V225 I263 W273 L274I91-F211 HydrophobicContact CG2-CE2 4.39Å; V93-F211 HydrophobicContact CG2-CD2 4.04Å; V93-F211 HydrophobicContact CG2-CE2 3.67Å; I173-F211 HydrophobicContact CD1-CB 4.46Å; I173-F211 HydrophobicContact CG2-CD2 4.39Å; T208-F211 WeakPolarHBondContact O-CB 3.28Å; T208-F211 PolarHBondContact O-N 2.98Å; T208-F211 VanDerWaalsContact O-N 3.11Å; F211-I213 PolarHBondContact O-N 3.28Å; F211-T214 WeakPolarHBondContact O-CA 3.43Å; F211-T214 WeakPolarHBondContact O-CB 3.22Å; F211-T214 PolarHBondContact O-N 2.86Å; F211-V215 HydrophobicContact CD1-CG2 4.14Å; F211-V215 HydrophobicContact CD2-CG2 4.26Å; F211-V215 HydrophobicContact CE1-CG2 3.64Å; F211-V215 HydrophobicContact CE2-CG2 3.77Å; F211-V215 HydrophobicContact CG-CG2 4.42Å; F211-V215 HydrophobicContact CZ-CG2 3.43Å; F211-V215 VanDerWaalsContact CZ-CG2 3.43Å; F211-V215 PolarHBondContact O-N 3.45Å; F211-V225 HydrophobicContact CE2-CG2 4.21Å; F211-V225 HydrophobicContact CZ-CG2 4.18Å; F211-I263 HydrophobicContact CE1-CG2 4.28Å; F211-I263 HydrophobicContact CZ-CD1 4.18Å; F211-I263 HydrophobicContact CZ-CG2 4.48Å; F211-W273 AromaticContact CE1-CE3 3.74Å; F211-W273 HydrophobicContact CE1-CE3 3.74Å; F211-W273 AromaticContact CE1-CZ3 3.47Å; F211-W273 HydrophobicContact CE1-CZ3 3.47Å; F211-W273 VanDerWaalsContact CE1-CZ3 3.47Å; F211-W273 HydrophobicContact CE2-CZ3 4.35Å; F211-W273 HydrophobicContact CZ-CE3 4.06Å; F211-W273 HydrophobicContact CZ-CH2 4.05Å; F211-W273 AromaticContact CZ-CZ3 3.32Å; F211-W273 HydrophobicContact CZ-CZ3 3.32Å; F211-L274 HydrophobicContact CB-CD2 3.74Å; F211-L274 HydrophobicContact CD1-CB 4.28Å; F211-L274 HydrophobicContact CD1-CD1 4.11Å; F211-L274 HydrophobicContact CD1-CD2 3.95Å; F211-L274 HydrophobicContact CD1-CG 4.35Å; F211-L274 HydrophobicContact CD2-CD1 4.39Å; F211-L274 HydrophobicContact CE1-CD1 4.28Å; F211-L274 HydrophobicContact CG-CD1 4.17Å; F211-L274 HydrophobicContact CG-CD2 3.9Å; F211-L274 HydrophobicContact CZ-CD1 4.5Å
212A95.4Very high95.5Very high10 Ų1032.8 Ų32.88%0.08316%0.158CC..Hα-helixtrans-57.6-46.5177.800000112.3T208 T214 V215 R216T208-A212 PolarHBondContact O-N 3.05Å; A212-T214 VanDerWaalsContact C-N 3.29Å; A212-T214 PolarHBondContact O-N 2.9Å; A212-V215 PolarHBondContact O-N 3.49Å; A212-R216 WeakPolarHBondContact O-CB 3.38Å; A212-R216 PolarHBondContact O-N 3.17Å
213I94.5Very high95.5Very high7 Ų733.6 Ų33.64%0.03617%0.168CC..Hα-helixtrans-59-42.4173.3-72.9-174.3000111.5W148 R152 V155 A156 L159 K209 F211 S217W148-I213 HydrophobicContact CH2-CD1 3.17Å; W148-I213 HydrophobicContact CH2-CG1 3.82Å; W148-I213 HydrophobicContact CZ2-CD1 4.2Å; W148-I213 HydrophobicContact CZ3-CD1 3.41Å; W148-I213 VanDerWaalsContact CZ3-CD1 3.41Å; W148-I213 HydrophobicContact CZ3-CG1 4.29Å; R152-I213 HydrophobicContact CB-CD1 4.24Å; R152-I213 HydrophobicContact CG-CD1 3.94Å; V155-I213 HydrophobicContact CG1-CG2 4.25Å; A156-I213 HydrophobicContact CB-CG2 4.2Å; L159-I213 HydrophobicContact CD1-CG2 3.87Å; K209-I213 PolarHBondContact O-N 2.86Å; K209-I213 VanDerWaalsContact O-N 3.14Å; F211-I213 PolarHBondContact O-N 3.28Å; I213-S217 VanDerWaalsContact O-CB 3.24Å; I213-S217 WeakPolarHBondContact O-CB 3.48Å; I213-S217 PolarHBondContact O-N 3.44Å; I213-S217 PolarHBondContact O-OG 3.06Å
214T95.9Very high95.6Very high0 Ų033.5 Ų33.50%017%0.167CC..Hα-helixtrans-62.9-52.6-178.6-58.10000111I91 L159 F171 G210 F211 A212 R216 S217 L218I91-T214 HydrophobicContact CD1-CG2 3.81Å; I91-T214 HydrophobicContact CG1-CG2 3.97Å; I91-T214 HydrophobicContact CG2-CG2 4.34Å; L159-T214 HydrophobicContact CD2-CG2 4.22Å; F171-T214 HydrophobicContact CD1-CG2 3.51Å; F171-T214 HydrophobicContact CE1-CG2 3.44Å; F171-T214 VanDerWaalsContact CE1-CG2 3.44Å; F171-T214 HydrophobicContact CZ-CG2 4.47Å; G210-T214 WeakPolarHBondContact O-CB 3.45Å; G210-T214 PolarHBondContact O-N 3.4Å; G210-T214 VanDerWaalsContact O-N 3.08Å; G210-T214 PolarHBondContact O-OG1 2.77Å; F211-T214 WeakPolarHBondContact O-CA 3.43Å; F211-T214 WeakPolarHBondContact O-CB 3.22Å; F211-T214 PolarHBondContact O-N 2.86Å; A212-T214 VanDerWaalsContact C-N 3.29Å; A212-T214 PolarHBondContact O-N 2.9Å; T214-R216 PolarHBondContact O-N 2.97Å; T214-S217 PolarHBondContact O-N 3.1Å; T214-L218 HydrophobicContact CG2-CD1 3.98Å; T214-L218 WeakPolarHBondContact O-CB 3.46Å; T214-L218 PolarHBondContact O-N 2.99Å
215V96.1Very high95.6Very high3 Ų333.5 Ų33.52%0.01817%0.167CC..Hα-helixtrans-56.8-50.6177.4169.90000110.3I91 F211 A212 S217 L218 R219 L260 I263I91-V215 HydrophobicContact CD1-CG2 4.06Å; F211-V215 HydrophobicContact CD1-CG2 4.14Å; F211-V215 HydrophobicContact CD2-CG2 4.26Å; F211-V215 HydrophobicContact CE1-CG2 3.64Å; F211-V215 HydrophobicContact CE2-CG2 3.77Å; F211-V215 HydrophobicContact CG-CG2 4.42Å; F211-V215 HydrophobicContact CZ-CG2 3.43Å; F211-V215 VanDerWaalsContact CZ-CG2 3.43Å; F211-V215 PolarHBondContact O-N 3.45Å; A212-V215 PolarHBondContact O-N 3.49Å; V215-S217 PolarHBondContact O-N 3.38Å; V215-L218 PolarHBondContact O-N 2.88Å; V215-R219 VanDerWaalsContact CG1-NH2 3.29Å; V215-R219 WeakPolarHBondContact O-CB 3.49Å; V215-R219 PolarHBondContact O-N 3.18Å; V215-L260 HydrophobicContact CG1-CD1 4.29Å; V215-I263 HydrophobicContact CG1-CG2 4.04Å; V215-I263 HydrophobicContact CG2-CG2 4.35Å
216R94.6Very high95.6Very high119 Ų11933.4 Ų33.445%0.44917%0.166SC..Hα-helixtrans-60.7-43.8179.9-172.6178.368.9-160.5-2.6112.6A212 T214A212-R216 WeakPolarHBondContact O-CB 3.38Å; A212-R216 PolarHBondContact O-N 3.17Å; T214-R216 PolarHBondContact O-N 2.97Å
217S95.7Very high95.7Very high4 Ų433 Ų333%0.02816%0.163CC..Hα-helixtrans-72.9-30.7-175.5-54.10000112.7R163 I213 T214 V215R163-S217 PolarHBondContact NH1-O 3.02Å; I213-S217 VanDerWaalsContact O-CB 3.24Å; I213-S217 WeakPolarHBondContact O-CB 3.48Å; I213-S217 PolarHBondContact O-N 3.44Å; I213-S217 PolarHBondContact O-OG 3.06Å; T214-S217 PolarHBondContact O-N 3.1Å; V215-S217 PolarHBondContact O-N 3.38Å
218L96.4Very high95.9Very high0 Ų027.8 Ų27.80%015%0.145CC..Hα-helixtrans-99.7-1.4-178.3-62.4-176.7000113.7I91 L159 L162 F171 T214 V215 N220 V221 V222I91-L218 HydrophobicContact CD1-CB 4.46Å; I91-L218 HydrophobicContact CD1-CD1 4.34Å; I91-L218 HydrophobicContact CG1-CD1 4Å; L159-L218 HydrophobicContact CB-CD2 4.37Å; L159-L218 HydrophobicContact CD2-CD1 3.94Å; L159-L218 HydrophobicContact CD2-CD2 4.27Å; L159-L218 HydrophobicContact CD2-CG 4.07Å; L162-L218 HydrophobicContact CB-CD2 4.37Å; F171-L218 HydrophobicContact CB-CD1 4.29Å; F171-L218 HydrophobicContact CD1-CD1 4.41Å; F171-L218 HydrophobicContact CG-CD1 4.21Å; T214-L218 HydrophobicContact CG2-CD1 3.98Å; T214-L218 WeakPolarHBondContact O-CB 3.46Å; T214-L218 PolarHBondContact O-N 2.99Å; V215-L218 PolarHBondContact O-N 2.88Å; L218-N220 PolarHBondContact O-N 2.68Å; L218-V221 WeakPolarHBondContact O-CB 3.16Å; L218-V221 PolarHBondContact O-N 3.41Å; L218-V222 HydrophobicContact CB-CG1 3.88Å; L218-V222 HydrophobicContact CB-CG2 3.92Å; L218-V222 HydrophobicContact CD1-CG1 4.03Å; L218-V222 HydrophobicContact CG-CG1 4.48Å; L218-V222 PolarHBondContact O-N 3.34Å
219R94.8Very high96.1Very high27 Ų2726.4 Ų26.410%0.10214%0.137CC..THydrogen-bonded Turntrans-54.7138.7175-164.4168.7-70.5-91.66111R163 V215 V221 L260 I263 E265R163-R219 PolarHBondContact NH1-O 3.22Å; R163-R219 PolarHBondContact NH2-O 3.4Å; V215-R219 VanDerWaalsContact CG1-NH2 3.29Å; V215-R219 WeakPolarHBondContact O-CB 3.49Å; V215-R219 PolarHBondContact O-N 3.18Å; R219-V221 PolarHBondContact O-N 2.96Å; R219-L260 HydrophobicContact CB-CD2 4.22Å; R219-L260 HydrophobicContact CG-CD2 4.07Å; R219-L260 PolarHBondContact NH1-O 2.73Å; R219-I263 PolarHBondContact NH2-O 2.91Å; R219-E265 WeakPolarHBondContact CD-OE1 3.36Å; R219-E265 VanDerWaalsContact CZ-CG 3.46Å; R219-E265 IonicContact CZ-OE1 2.68Å; R219-E265 IonicContact NE-OE1 3.2Å; R219-E265 PolarHBondContact NE-OE1 3.36Å; R219-E265 IonicContact NH1-OE1 3.64Å
220N93.1Very high96.4Very high146 Ų14620.9 Ų20.978%0.78111%0.113SC*.THydrogen-bonded Turntrans69.73.7-172.6-46.1-38.4000115.5L218L218-N220 PolarHBondContact O-N 2.68Å
221V95.4Very high96.6Very high31 Ų3120 Ų2019%0.18810%0.103CC..THydrogen-bonded Turntrans-116.7-42.8173.7175.80000111.7R163 L218 R219R163-V221 HydrophobicContact CB-CG2 3.84Å; R163-V221 HydrophobicContact CG-CG2 3.84Å; L218-V221 WeakPolarHBondContact O-CB 3.16Å; L218-V221 PolarHBondContact O-N 3.41Å; R219-V221 PolarHBondContact O-N 2.96Å
222V96.8Very high96.7Very high6 Ų619.9 Ų19.94%0.03610%0.103CC..  trans-90.7144.8173.2-58.80000109.9N89 I91 Y169 L218 L260N89-V222 HydrophobicContact CB-CB 4.39Å; N89-V222 HydrophobicContact CB-CG1 3.89Å; N89-V222 CarbonylContact O-C 3.57Å; N89-V222 VanDerWaalsContact O-CA 3.29Å; N89-V222 WeakPolarHBondContact O-CA 2.99Å; N89-V222 WeakPolarHBondContact O-CB 3.1Å; I91-V222 HydrophobicContact CD1-CG2 3.94Å; I91-V222 HydrophobicContact CG1-CG1 4.44Å; I91-V222 HydrophobicContact CG1-CG2 4.12Å; Y169-V222 HydrophobicContact CE2-CG1 4.48Å; L218-V222 HydrophobicContact CB-CG1 3.88Å; L218-V222 HydrophobicContact CB-CG2 3.92Å; L218-V222 HydrophobicContact CD1-CG1 4.03Å; L218-V222 HydrophobicContact CG-CG1 4.48Å; L218-V222 PolarHBondContact O-N 3.34Å; V222-L260 HydrophobicContact CG2-CD1 3.88Å; V222-L260 HydrophobicContact CG2-CD2 3.58Å; V222-L260 HydrophobicContact CG2-CG 4.28Å; V222-L260 WeakPolarHBondContact O-CD2 3.34Å
223S97.8Very high96.7Very high50 Ų5023.5 Ų23.535%0.3511%0.114SC..  trans-94.7-22.1-176-57.20000113E88 N89 L260E88-S223 WeakPolarHBondContact OE2-CB 3.34Å; N89-S223 PolarHBondContact O-N 2.85Å; S223-L260 PolarHBondContact O-N 3.2Å
224A98.2Very high96.5Very high0 Ų029.9 Ų29.90%015%0.148CC..EExtended strand (participates in β ladder)trans-157.7161-175.300000112.6A90 I91 Y226 R257 I258A90-A224 WeakPolarHBondContact CA-O 3.41Å; I91-A224 PolarHBondContact N-O 3.33Å; A224-Y226 HydrophobicContact CB-CD1 4.05Å; A224-Y226 HydrophobicContact CB-CE1 3.75Å; A224-R257 HydrophobicContact CB-CG 3.95Å; A224-I258 CarbonylContact C-O 3.5Å; A224-I258 VanDerWaalsContact CA-O 3.27Å; A224-I258 WeakPolarHBondContact CA-O 3.45Å; A224-I258 VanDerWaalsContact CB-O 3.31Å; A224-I258 WeakPolarHBondContact CB-O 3.41Å
225V98.6Very high96.3Very high0 Ų035 Ų350%018%0.176CC..EExtended strand (participates in β ladder)trans-94.6126.2154.6170.30000108.7I91 V93 F211 I258 L260 I263 W273I91-V225 HydrophobicContact CB-CG2 4Å; I91-V225 HydrophobicContact CD1-CG2 4.42Å; I91-V225 HydrophobicContact CG2-CG2 4.27Å; I91-V225 CarbonylContact O-C 3.58Å; I91-V225 VanDerWaalsContact O-CA 3.28Å; I91-V225 WeakPolarHBondContact O-CA 3.48Å; V93-V225 HydrophobicContact CG2-CG1 3.83Å; F211-V225 HydrophobicContact CE2-CG2 4.21Å; F211-V225 HydrophobicContact CZ-CG2 4.18Å; V225-I258 PolarHBondContact N-O 3.48Å; V225-I258 PolarHBondContact O-N 3.37Å; V225-L260 HydrophobicContact CG2-CD1 4.18Å; V225-I263 HydrophobicContact CB-CD1 3.71Å; V225-I263 HydrophobicContact CG2-CD1 3.16Å; V225-W273 HydrophobicContact CG1-CH2 4.41Å
226Y98.5Very high96.1Very high5 Ų536.7 Ų36.72%0.0218%0.183CC..EExtended strand (participates in β ladder)trans-93.4108.2166.7-64.6-10.3000108.3K84 Y85 E88 A90 I91 V92 V93 F170 A224 C228 R256 R257K84-Y226 PolarHBondContact O-OH 3.21Å; Y85-Y226 HydrophobicContact CD1-CD2 4.3Å; Y85-Y226 HydrophobicContact CD1-CE1 4.26Å; Y85-Y226 AromaticContact CD1-CE2 3.55Å; Y85-Y226 HydrophobicContact CD1-CE2 3.55Å; Y85-Y226 AromaticContact CD1-CZ 3.52Å; Y85-Y226 HydrophobicContact CE1-CD1 4.41Å; Y85-Y226 HydrophobicContact CE1-CD2 4.33Å; Y85-Y226 HydrophobicContact CE1-CE1 4.03Å; Y85-Y226 AromaticContact CE1-CE2 3.92Å; Y85-Y226 HydrophobicContact CE1-CE2 3.92Å; Y85-Y226 AromaticContact CE1-CZ 3.76Å; E88-Y226 WeakPolarHBondContact CG-OH 3.42Å; E88-Y226 PolarHBondContact OE1-OH 3.5Å; A90-Y226 HydrophobicContact CB-CD1 4.24Å; A90-Y226 HydrophobicContact CB-CD2 3.85Å; A90-Y226 HydrophobicContact CB-CE1 4.15Å; A90-Y226 HydrophobicContact CB-CE2 3.77Å; A90-Y226 HydrophobicContact CB-CG 4.09Å; I91-Y226 PolarHBondContact O-N 3.44Å; V92-Y226 WeakPolarHBondContact CA-O 3.16Å; V92-Y226 HydrophobicContact CG2-CD2 4.48Å; V93-Y226 PolarHBondContact N-O 3.09Å; F170-Y226 HydrophobicContact CD1-CE2 4.39Å; F170-Y226 HydrophobicContact CE1-CD2 4.04Å; F170-Y226 AromaticContact CE1-CE2 3.51Å; F170-Y226 HydrophobicContact CE1-CE2 3.51Å; F170-Y226 HydrophobicContact CZ-CD2 4.12Å; F170-Y226 AromaticContact CZ-CE2 3.64Å; F170-Y226 HydrophobicContact CZ-CE2 3.64Å; A224-Y226 HydrophobicContact CB-CD1 4.05Å; A224-Y226 HydrophobicContact CB-CE1 3.75Å; Y226-C228 PolarHBondContact O-N 3.22Å; Y226-R256 WeakPolarHBondContact CA-O 3.36Å; Y226-R257 HydrophobicContact CD1-CB 4.06Å; Y226-R257 HydrophobicContact CD1-CG 4.02Å; Y226-R257 HydrophobicContact CE1-CB 4.01Å; Y226-R257 HydrophobicContact CE1-CG 3.62Å
227D98.4Very high96.1Very high0 Ų036.4 Ų36.40%019%0.191CC..EExtended strand (participates in β ladder)trans-84.6108.2176.9-17850.2000109.7V255 R256 I258 L277 K281D227-V255 WeakPolarHBondContact O-CA 3.35Å; D227-R256 HydrophobicContact CB-CB 4.24Å; D227-R256 PolarHBondContact N-O 3.38Å; D227-R256 PolarHBondContact O-N 3.19Å; D227-R256 IonicContact OD2-CZ 2.75Å; D227-R256 VanDerWaalsContact OD2-CZ 3.22Å; D227-R256 IonicContact OD2-NE 2.72Å; D227-R256 PolarHBondContact OD2-NE 3.37Å; D227-R256 IonicContact OD2-NH2 3.79Å; D227-R256 PolarHBondContact OD2-NH2 3.48Å; D227-I258 HydrophobicContact CB-CD1 4.06Å; D227-L277 HydrophobicContact CB-CD1 4.15Å; D227-L277 WeakPolarHBondContact OD1-CD2 3.07Å; D227-K281 VanDerWaalsContact CG-NZ 3.28Å; D227-K281 WeakPolarHBondContact OD1-CE 3.36Å; D227-K281 IonicContact OD1-NZ 3.77Å; D227-K281 PolarHBondContact OD1-NZ 3.13Å; D227-K281 IonicContact OD2-NZ 3.14Å
228C98.3Very high96.2Very high7 Ų736.3 Ų36.35%0.04719%0.19CC..EExtended strand (participates in β ladder)trans-115.1130.6-170-64.30000112V92 V93 L94 N95 Y226 L253 Y254 K281V92-C228 HydrophobicContact CG1-CB 4.31Å; V93-C228 WeakPolarHBondContact O-CA 3.41Å; V93-C228 PolarHBondContact O-N 2.88Å; V93-C228 VanDerWaalsContact O-O 3.12Å; L94-C228 WeakPolarHBondContact CA-O 3.34Å; L94-C228 HydrophobicContact CB-CB 4.45Å; L94-C228 HydrophobicContact CD1-CB 3.62Å; N95-C228 PolarHBondContact N-O 3.12Å; Y226-C228 PolarHBondContact O-N 3.22Å; C228-L253 HydrophobicContact CB-CD1 4.06Å; C228-L253 HydrophobicContact CB-CD2 4.36Å; C228-L253 HydrophobicContact CB-CG 4.47Å; C228-Y254 CarbonylContact C-O 3.56Å; C228-Y254 VanDerWaalsContact CA-O 3.23Å; C228-Y254 WeakPolarHBondContact CA-O 3.44Å; C228-K281 PolarHBondContact O-NZ 3.08Å
229T98.2Very high96.1Very high0 Ų038.7 Ų38.70%021%0.205CC..EExtended strand (participates in β ladder)trans-123114.2172.3-56.80000109.3N95 L253 Y254 K281 F294N95-T229 WeakPolarHBondContact OD1-CA 3.48Å; T229-L253 WeakPolarHBondContact O-CA 3.36Å; T229-Y254 PolarHBondContact N-O 3.18Å; T229-Y254 PolarHBondContact O-N 2.95Å; T229-K281 PolarHBondContact OG1-NZ 2.93Å; T229-F294 HydrophobicContact CG2-CE1 4.05Å; T229-F294 HydrophobicContact CG2-CZ 3.86Å
230L98.1Very high96.1Very high2 Ų238.3 Ų38.31%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-97.4132.3178.5179.664000110.3L94 N95 F98 D101 C104 F232 A251 L253L94-L230 HydrophobicContact CD1-CB 3.93Å; N95-L230 PolarHBondContact ND2-O 2.83Å; N95-L230 PolarHBondContact OD1-N 3.18Å; F98-L230 HydrophobicContact CD2-CD2 4.46Å; F98-L230 HydrophobicContact CD2-CG 4.45Å; D101-L230 HydrophobicContact CB-CD2 4.24Å; C104-L230 HydrophobicContact CB-CD1 4.37Å; C104-L230 HydrophobicContact CB-CD2 4.05Å; L230-F232 HydrophobicContact CD1-CE2 4.23Å; L230-F232 HydrophobicContact CD1-CZ 4.49Å; L230-F232 HydrophobicContact CD2-CE2 3.92Å; L230-F232 HydrophobicContact CD2-CZ 4.41Å; L230-F232 HydrophobicContact CG-CE2 3.99Å; L230-A251 HydrophobicContact CD1-CB 3.95Å; L230-L253 HydrophobicContact CB-CD1 3.6Å; L230-L253 HydrophobicContact CD1-CB 4.45Å; L230-L253 HydrophobicContact CD1-CD1 4.11Å; L230-L253 HydrophobicContact CG-CD1 4.43Å
231N97.9Very high96Very high1 Ų135.5 Ų35.51%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-138.6163.3165.2-159.619.8000110.8F98 D252 Q285 Y288 F294F98-N231 WeakPolarHBondContact CZ-OD1 3.14Å; N231-D252 PolarHBondContact N-O 3.05Å; N231-D252 PolarHBondContact O-N 2.91Å; N231-Q285 PolarHBondContact ND2-NE2 2.8Å; N231-Y288 HydrophobicContact CB-CD1 4.29Å; N231-Y288 HydrophobicContact CB-CE1 4.04Å; N231-Y288 WeakPolarHBondContact ND2-CD1 3.17Å; N231-Y288 WeakPolarHBondContact ND2-CE1 3.21Å; N231-F294 HydrophobicContact CB-CE2 4.01Å; N231-F294 HydrophobicContact CB-CZ 3.87Å
232F97.4Very high96Very high0 Ų034.4 Ų34.40%018%0.184CC..EExtended strand (participates in β ladder)trans-112.5138.3173.6-73-94.4000109.4F98 I100 C104 L230 E236 P238 H250 A251F98-F232 HydrophobicContact CB-CD2 4.4Å; F98-F232 HydrophobicContact CB-CE2 4.02Å; F98-F232 AromaticContact CD1-CD2 4Å; F98-F232 HydrophobicContact CD1-CD2 4Å; F98-F232 HydrophobicContact CD1-CE2 4.46Å; F98-F232 AromaticContact CD2-CD2 3.59Å; F98-F232 HydrophobicContact CD2-CD2 3.59Å; F98-F232 AromaticContact CD2-CE2 3.65Å; F98-F232 HydrophobicContact CD2-CE2 3.65Å; F98-F232 HydrophobicContact CE1-CD2 4.1Å; F98-F232 AromaticContact CE2-CD2 3.76Å; F98-F232 HydrophobicContact CE2-CD2 3.76Å; F98-F232 HydrophobicContact CE2-CE2 4.23Å; F98-F232 AromaticContact CG-CD2 3.71Å; F98-F232 HydrophobicContact CG-CD2 3.71Å; F98-F232 AromaticContact CG-CE2 3.77Å; F98-F232 HydrophobicContact CG-CE2 3.77Å; F98-F232 AromaticContact CZ-CD2 3.99Å; F98-F232 HydrophobicContact CZ-CD2 3.99Å; I100-F232 HydrophobicContact CD1-CE1 4.08Å; I100-F232 HydrophobicContact CD1-CZ 3.86Å; I100-F232 HydrophobicContact CG1-CZ 3.94Å; C104-F232 VanDerWaalsContact SG-CZ 3.59Å; L230-F232 HydrophobicContact CD1-CE2 4.23Å; L230-F232 HydrophobicContact CD1-CZ 4.49Å; L230-F232 HydrophobicContact CD2-CE2 3.92Å; L230-F232 HydrophobicContact CD2-CZ 4.41Å; L230-F232 HydrophobicContact CG-CE2 3.99Å; F232-E236 HydrophobicContact CB-CB 4.36Å; F232-P238 HydrophobicContact CD1-CB 4.36Å; F232-P238 HydrophobicContact CD1-CG 3.85Å; F232-P238 HydrophobicContact CD2-CG 3.63Å; F232-P238 HydrophobicContact CE1-CB 4.11Å; F232-P238 HydrophobicContact CE1-CG 3.66Å; F232-P238 HydrophobicContact CE2-CG 3.46Å; F232-P238 VanDerWaalsContact CE2-CG 3.46Å; F232-P238 HydrophobicContact CG-CG 3.83Å; F232-P238 HydrophobicContact CZ-CB 4.29Å; F232-P238 HydrophobicContact CZ-CG 3.47Å; F232-P238 VanDerWaalsContact CZ-CG 3.47Å; F232-H250 WeakPolarHBondContact CA-O 2.98Å; F232-A251 HydrophobicContact CD1-CB 4.12Å; F232-A251 HydrophobicContact CE1-CB 3.58Å; F232-A251 HydrophobicContact CZ-CB 3.89Å
233R95.5Very high96Very high85 Ų8534.1 Ų34.132%0.32118%0.182SC..G310 helixtrans-60156.8176-62-174.4-173.5165.48.4110.6T74 N235 E236 H250 D252 Y288T74-R233 PolarHBondContact OG1-NH2 2.79Å; R233-N235 PolarHBondContact O-N 3.17Å; R233-N235 VanDerWaalsContact O-N 3.12Å; R233-E236 PolarHBondContact O-N 2.87Å; R233-H250 HydrophobicContact CB-CB 4.14Å; R233-H250 HydrophobicContact CG-CB 3.98Å; R233-H250 PolarHBondContact N-O 2.88Å; R233-D252 WeakPolarHBondContact CG-OD2 3.4Å; R233-D252 IonicContact CZ-OD1 2.83Å; R233-D252 IonicContact CZ-OD2 2.66Å; R233-D252 IonicContact NE-OD1 3.32Å; R233-D252 PolarHBondContact NE-OD1 3.23Å; R233-D252 IonicContact NE-OD2 3.44Å; R233-D252 PolarHBondContact NE-OD2 3.34Å; R233-D252 IonicContact NH2-OD1 3.49Å; R233-D252 PolarHBondContact NH2-OD1 3.21Å; R233-D252 IonicContact NH2-OD2 2.76Å; R233-D252 PolarHBondContact NH2-OD2 3.01Å; R233-Y288 WeakPolarHBondContact CG-OH 3.48Å
234N91.6Very high95.7Very high141 Ų14132.5 Ų32.575%0.75417%0.169SC*.G310 helixtrans57.724.6177.2-47.7-39.1000114.1E236N234-E236 HydrophobicContact CB-CG 4.36Å; N234-E236 PolarHBondContact O-N 2.89Å; N234-E236 VanDerWaalsContact O-N 3.14Å
235N90.1Very high95.5Very high109 Ų10935.2 Ų35.258%0.58318%0.184SC*.G310 helixtrans53.531.5-177.5-62.5-24.9000113.4R233 Y289R233-N235 PolarHBondContact O-N 3.17Å; R233-N235 VanDerWaalsContact O-N 3.12Å; N235-Y289 WeakPolarHBondContact OD1-CD1 3.45Å; N235-Y289 WeakPolarHBondContact OD1-CE1 3.37Å
236E93.9Very high95.3Very high38 Ų3836 Ų3618%0.17819%0.191CC..  trans-67.5142.8177.6-68.5-162.7105.600111.5F232 R233 N234 P238 K247 Y249F232-E236 HydrophobicContact CB-CB 4.36Å; R233-E236 PolarHBondContact O-N 2.87Å; N234-E236 HydrophobicContact CB-CG 4.36Å; N234-E236 PolarHBondContact O-N 2.89Å; N234-E236 VanDerWaalsContact O-N 3.14Å; E236-P238 VanDerWaalsContact O-CD 3.27Å; E236-P238 WeakPolarHBondContact O-CD 3.43Å; E236-K247 WeakPolarHBondContact OE1-CE 3.2Å; E236-K247 IonicContact OE1-NZ 2.6Å; E236-K247 PolarHBondContact OE1-NZ 2.79Å; E236-Y249 HydrophobicContact CB-CD1 4.35Å
237N94.5Very high95.1Very high112 Ų11240.3 Ų40.360%0.59921%0.21SC*.  trans-10695169.2-70.9-58.8000108.5
238P95.9Very high95Very high2 Ų244.2 Ų44.21%0.01323%0.227CC..  trans-75.8143.5-175.932-38.4000112.1F98 E99 I100 F232 E236 Y249F98-P238 HydrophobicContact CB-CG 4Å; F98-P238 HydrophobicContact CD1-CG 4.35Å; F98-P238 HydrophobicContact CG-CG 4.33Å; E99-P238 WeakPolarHBondContact CB-O 3.15Å; I100-P238 HydrophobicContact CD1-CB 3.52Å; I100-P238 HydrophobicContact CD1-CG 3.86Å; I100-P238 HydrophobicContact CG1-CB 3.67Å; I100-P238 HydrophobicContact CG1-CG 3.57Å; F232-P238 HydrophobicContact CD1-CB 4.36Å; F232-P238 HydrophobicContact CD1-CG 3.85Å; F232-P238 HydrophobicContact CD2-CG 3.63Å; F232-P238 HydrophobicContact CE1-CB 4.11Å; F232-P238 HydrophobicContact CE1-CG 3.66Å; F232-P238 HydrophobicContact CE2-CG 3.46Å; F232-P238 VanDerWaalsContact CE2-CG 3.46Å; F232-P238 HydrophobicContact CG-CG 3.83Å; F232-P238 HydrophobicContact CZ-CB 4.29Å; F232-P238 HydrophobicContact CZ-CG 3.47Å; F232-P238 VanDerWaalsContact CZ-CG 3.47Å; E236-P238 VanDerWaalsContact O-CD 3.27Å; E236-P238 WeakPolarHBondContact O-CD 3.43Å; P238-Y249 HydrophobicContact CB-CD1 3.67Å; P238-Y249 HydrophobicContact CB-CD2 3.9Å; P238-Y249 HydrophobicContact CB-CE1 3.58Å; P238-Y249 HydrophobicContact CB-CE2 3.85Å; P238-Y249 HydrophobicContact CB-CG 3.79Å
239T95.6Very high94.9Very high51 Ų5144.1 Ų44.131%0.31323%0.226SC..  trans-125.4153179.3640000110.2E99 L241 G242 V243 Y249E99-T239 VanDerWaalsContact OE2-CA 3.3Å; E99-T239 WeakPolarHBondContact OE2-CA 3.36Å; E99-T239 WeakPolarHBondContact OE2-CB 3.38Å; E99-T239 WeakPolarHBondContact OE2-CG2 3.27Å; T239-L241 PolarHBondContact O-N 2.92Å; T239-G242 PolarHBondContact O-N 3.43Å; T239-G242 VanDerWaalsContact O-N 3.12Å; T239-G242 PolarHBondContact OG1-N 3.25Å; T239-V243 PolarHBondContact O-N 3.24Å; T239-V243 VanDerWaalsContact O-N 3.11Å; T239-Y249 PolarHBondContact N-OH 3.27Å
240L94Very high94.9Very high18 Ų1846.3 Ų46.39%0.09424%0.236CC..Hα-helixtrans-63.7-33.8176.3-176.458000111.1E99 I100 L103 V243 L244 I356 T359E99-L240 WeakPolarHBondContact OE1-CB 3.27Å; E99-L240 PolarHBondContact OE1-N 2.95Å; I100-L240 HydrophobicContact CG2-CB 4.28Å; L103-L240 HydrophobicContact CD2-CD1 3.98Å; L240-V243 WeakPolarHBondContact O-CB 3.37Å; L240-V243 PolarHBondContact O-N 2.83Å; L240-L244 PolarHBondContact O-N 3.33Å; L240-I356 HydrophobicContact CB-CG2 4.46Å; L240-I356 HydrophobicContact CD2-CG1 4.06Å; L240-T359 HydrophobicContact CD2-CG2 4.35Å
241L92.3Very high94.8Very high88 Ų8846.3 Ų46.346%0.46124%0.236SC..Hα-helixtrans-64.6-38.6173-176.561.1000112.3T239 V243 L244 N245T239-L241 PolarHBondContact O-N 2.92Å; L241-V243 VanDerWaalsContact C-N 3.34Å; L241-L244 HydrophobicContact CD1-CD2 4.39Å; L241-L244 PolarHBondContact O-N 2.77Å; L241-N245 WeakPolarHBondContact O-CB 3.22Å; L241-N245 PolarHBondContact O-N 2.85Å; L241-N245 PolarHBondContact O-ND2 2.91Å; L241-N245 VanDerWaalsContact O-ND2 3.11Å
242G94.7Very high94.8Very high7 Ų746.3 Ų46.37%0.07224%0.236CC..Hα-helixtrans-59.8-45.4173.200000111.7T239 L244 N245 G246 K247T239-G242 PolarHBondContact O-N 3.43Å; T239-G242 VanDerWaalsContact O-N 3.12Å; T239-G242 PolarHBondContact OG1-N 3.25Å; G242-L244 PolarHBondContact O-N 2.88Å; G242-N245 CarbonylContact O-C 3.5Å; G242-N245 PolarHBondContact O-N 3.5Å; G242-G246 PolarHBondContact O-N 3.36Å; G242-K247 WeakPolarHBondContact O-CB 3.49Å; G242-K247 PolarHBondContact O-N 3.09Å
243V96.1Very high94.9Very high0 Ų047 Ų470%024%0.24CC..Hα-helixtrans-59.9-45.1174.3172.10000111.2L64 L65 S69 I100 T239 L240 L241 N245 G246 Y249L64-V243 HydrophobicContact CD2-CG1 4.02Å; L64-V243 HydrophobicContact CG-CG1 3.9Å; L65-V243 HydrophobicContact CD1-CG1 4.22Å; L65-V243 HydrophobicContact CD1-CG2 3.78Å; S69-V243 WeakPolarHBondContact CB-O 3.48Å; I100-V243 HydrophobicContact CD1-CG2 4.21Å; T239-V243 PolarHBondContact O-N 3.24Å; T239-V243 VanDerWaalsContact O-N 3.11Å; L240-V243 WeakPolarHBondContact O-CB 3.37Å; L240-V243 PolarHBondContact O-N 2.83Å; L241-V243 VanDerWaalsContact C-N 3.34Å; V243-N245 VanDerWaalsContact C-N 3.31Å; V243-N245 PolarHBondContact O-N 3.08Å; V243-G246 WeakPolarHBondContact O-CA 3.48Å; V243-G246 PolarHBondContact O-N 2.97Å; V243-Y249 HydrophobicContact CG2-CD2 4.03Å; V243-Y249 HydrophobicContact CG2-CE2 3.88Å
244L92.9Very high95Very high17 Ų1743.6 Ų43.69%0.08923%0.227CC..Hα-helixtrans-61.9-37.3177.2-174.862.7000112.5H14 F17 L64 W68 L240 L241 G242 G246H14-L244 HydrophobicContact CB-CD1 4.48Å; H14-L244 HydrophobicContact CB-CD2 4.16Å; H14-L244 HydrophobicContact CB-CG 4.38Å; H14-L244 PolarHBondContact NE2-O 3.43Å; F17-L244 HydrophobicContact CB-CD1 4.44Å; F17-L244 HydrophobicContact CD2-CD1 4.45Å; L64-L244 HydrophobicContact CD1-CD1 4.07Å; L64-L244 HydrophobicContact CD2-CB 4.45Å; L64-L244 HydrophobicContact CD2-CD1 4.15Å; W68-L244 PolarHBondContact NE1-O 3.26Å; L240-L244 PolarHBondContact O-N 3.33Å; L241-L244 HydrophobicContact CD1-CD2 4.39Å; L241-L244 PolarHBondContact O-N 2.77Å; G242-L244 PolarHBondContact O-N 2.88Å; L244-G246 PolarHBondContact O-N 3.13Å
245N92.9Very high95.3Very high57 Ų5737.3 Ų37.331%0.30519%0.194SC..THydrogen-bonded Turntrans-72.60.8172.6-71.9-40.2000113.6H14 L241 G242 V243H14-N245 PolarHBondContact CE1-OD1 3.3Å; H14-N245 PolarHBondContact NE2-OD1 3.26Å; L241-N245 WeakPolarHBondContact O-CB 3.22Å; L241-N245 PolarHBondContact O-N 2.85Å; L241-N245 PolarHBondContact O-ND2 2.91Å; L241-N245 VanDerWaalsContact O-ND2 3.11Å; G242-N245 CarbonylContact O-C 3.5Å; G242-N245 PolarHBondContact O-N 3.5Å; V243-N245 VanDerWaalsContact C-N 3.31Å; V243-N245 PolarHBondContact O-N 3.08Å
246G94.1Very high95.7Very high15 Ų1534.2 Ų34.216%0.15517%0.174CC..THydrogen-bonded Turntrans79.214.5-178.800000114.5G242 V243 L244 K248G242-G246 PolarHBondContact O-N 3.36Å; V243-G246 WeakPolarHBondContact O-CA 3.48Å; V243-G246 PolarHBondContact O-N 2.97Å; L244-G246 PolarHBondContact O-N 3.13Å; G246-K248 PolarHBondContact O-N 2.83Å
247K94.6Very high95.9Very high96 Ų9635.6 Ų35.642%0.41718%0.178SC..  trans-68.3116.7176-176.4171.3171.5-177.40109.8S69 E236 G242 Y249S69-K247 WeakPolarHBondContact CB-O 3.19Å; E236-K247 WeakPolarHBondContact OE1-CE 3.2Å; E236-K247 IonicContact OE1-NZ 2.6Å; E236-K247 PolarHBondContact OE1-NZ 2.79Å; G242-K247 WeakPolarHBondContact O-CB 3.49Å; G242-K247 PolarHBondContact O-N 3.09Å; K247-Y249 HydrophobicContact CB-CE2 4.19Å; K247-Y249 HydrophobicContact CD-CE1 3.79Å; K247-Y249 HydrophobicContact CD-CE2 4.43Å; K247-Y249 VanDerWaalsContact CE-CE1 3.46Å; K247-Y249 HydrophobicContact CG-CE1 4.12Å; K247-Y249 HydrophobicContact CG-CE2 4.15Å; K247-Y249 VanDerWaalsContact O-CD2 3.32Å; K247-Y249 WeakPolarHBondContact O-CD2 3.22Å; K247-Y249 WeakPolarHBondContact O-CE2 3.15Å
248K95.6Very high96.1Very high83 Ų8331.6 Ų31.636%0.36116%0.156SC..  trans-71.4133.2172.5-176.2177.6-177.3-167.90110.2S69 G70 E72 G246 H250S69-K248 VanDerWaalsContact O-CA 3.25Å; S69-K248 WeakPolarHBondContact O-CA 3.3Å; S69-K248 WeakPolarHBondContact O-CB 3.38Å; S69-K248 PolarHBondContact O-N 3.46Å; G70-K248 VanDerWaalsContact O-CE 3.25Å; G70-K248 WeakPolarHBondContact O-CE 3.49Å; G70-K248 WeakPolarHBondContact O-CG 3.25Å; E72-K248 VanDerWaalsContact CD-CE 3.48Å; E72-K248 VanDerWaalsContact OE1-CE 3.31Å; E72-K248 WeakPolarHBondContact OE1-CE 3.34Å; E72-K248 IonicContact OE1-NZ 3.54Å; E72-K248 PolarHBondContact OE1-NZ 3.3Å; E72-K248 IonicContact OE2-NZ 3.78Å; E72-K248 PolarHBondContact OE2-NZ 2.74Å; G246-K248 PolarHBondContact O-N 2.83Å; K248-H250 VanDerWaalsContact CE-NE2 3.33Å; K248-H250 WeakPolarHBondContact CE-NE2 3.34Å; K248-H250 PolarHBondContact NZ-NE2 3.4Å
249Y97Very high96.1Very high5 Ų532.9 Ų32.92%0.0216%0.164CC..  trans-117.4164169.2-61-78.2000110.8T71 E72 E236 P238 T239 V243 K247T71-Y249 WeakPolarHBondContact CA-O 3.48Å; T71-Y249 WeakPolarHBondContact CG2-O 3.01Å; T71-Y249 PolarHBondContact OG1-N 2.96Å; T71-Y249 VanDerWaalsContact OG1-N 3.16Å; E72-Y249 PolarHBondContact N-O 2.87Å; E236-Y249 HydrophobicContact CB-CD1 4.35Å; P238-Y249 HydrophobicContact CB-CD1 3.67Å; P238-Y249 HydrophobicContact CB-CD2 3.9Å; P238-Y249 HydrophobicContact CB-CE1 3.58Å; P238-Y249 HydrophobicContact CB-CE2 3.85Å; P238-Y249 HydrophobicContact CB-CG 3.79Å; T239-Y249 PolarHBondContact N-OH 3.27Å; V243-Y249 HydrophobicContact CG2-CD2 4.03Å; V243-Y249 HydrophobicContact CG2-CE2 3.88Å; K247-Y249 HydrophobicContact CB-CE2 4.19Å; K247-Y249 HydrophobicContact CD-CE1 3.79Å; K247-Y249 HydrophobicContact CD-CE2 4.43Å; K247-Y249 VanDerWaalsContact CE-CE1 3.46Å; K247-Y249 HydrophobicContact CG-CE1 4.12Å; K247-Y249 HydrophobicContact CG-CE2 4.15Å; K247-Y249 VanDerWaalsContact O-CD2 3.32Å; K247-Y249 WeakPolarHBondContact O-CD2 3.22Å; K247-Y249 WeakPolarHBondContact O-CE2 3.15Å
250H97.4Very high96.2Very high45 Ų4530.8 Ų30.821%0.20815%0.151CC..EExtended strand (participates in β ladder)trans-123.697.3174.8-5486.9000108.5E72 F232 R233 K248E72-H250 IonicContact OE2-CD2 2.73Å; E72-H250 IonicContact OE2-NE2 3.49Å; F232-H250 WeakPolarHBondContact CA-O 2.98Å; R233-H250 HydrophobicContact CB-CB 4.14Å; R233-H250 HydrophobicContact CG-CB 3.98Å; R233-H250 PolarHBondContact N-O 2.88Å; K248-H250 VanDerWaalsContact CE-NE2 3.33Å; K248-H250 WeakPolarHBondContact CE-NE2 3.34Å; K248-H250 PolarHBondContact NZ-NE2 3.4Å
251A97.6Very high96.2Very high2 Ų236.5 Ų36.52%0.01718%0.177CC..EExtended strand (participates in β ladder)trans-86.2125.2176.700000109.4E72 C73 T74 L230 F232E72-A251 PolarHBondContact O-N 3.23Å; C73-A251 CarbonylContact C-O 3.57Å; C73-A251 VanDerWaalsContact CA-O 3.32Å; C73-A251 WeakPolarHBondContact CA-O 3.44Å; T74-A251 PolarHBondContact N-O 2.97Å; L230-A251 HydrophobicContact CD1-CB 3.95Å; F232-A251 HydrophobicContact CD1-CB 4.12Å; F232-A251 HydrophobicContact CE1-CB 3.58Å; F232-A251 HydrophobicContact CZ-CB 3.89Å
252D98.1Very high96.4Very high1 Ų137.2 Ų37.21%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-110.3125170.1-71.9-22.1000108.1T74 F76 N231 R233 Y288 F294T74-D252 WeakPolarHBondContact CB-OD1 3.33Å; T74-D252 PolarHBondContact OG1-OD1 3.25Å; F76-D252 HydrophobicContact CD2-CB 4.16Å; F76-D252 HydrophobicContact CE2-CB 3.64Å; N231-D252 PolarHBondContact N-O 3.05Å; N231-D252 PolarHBondContact O-N 2.91Å; R233-D252 WeakPolarHBondContact CG-OD2 3.4Å; R233-D252 IonicContact CZ-OD1 2.83Å; R233-D252 IonicContact CZ-OD2 2.66Å; R233-D252 IonicContact NE-OD1 3.32Å; R233-D252 PolarHBondContact NE-OD1 3.23Å; R233-D252 IonicContact NE-OD2 3.44Å; R233-D252 PolarHBondContact NE-OD2 3.34Å; R233-D252 IonicContact NH2-OD1 3.49Å; R233-D252 PolarHBondContact NH2-OD1 3.21Å; R233-D252 IonicContact NH2-OD2 2.76Å; R233-D252 PolarHBondContact NH2-OD2 3.01Å; D252-Y288 HydrophobicContact CB-CE2 3.87Å; D252-Y288 PolarHBondContact OD2-OH 3.22Å; D252-F294 HydrophobicContact CB-CD2 4.11Å; D252-F294 HydrophobicContact CB-CE2 4.26Å; D252-F294 WeakPolarHBondContact O-CE2 3.25Å
253L97.9Very high96.5Very high15 Ų1537 Ų378%0.07918%0.179CC..EExtended strand (participates in β ladder)trans-119.2112.9-179.5-171.676.8000110.4T74 I75 F76 L94 L108 C228 T229 L230 V255T74-L253 PolarHBondContact O-N 2.84Å; I75-L253 CarbonylContact C-O 3.56Å; I75-L253 WeakPolarHBondContact CA-O 3.45Å; F76-L253 PolarHBondContact N-O 3.18Å; L94-L253 HydrophobicContact CD1-CD1 3.7Å; L108-L253 HydrophobicContact CD1-CB 4.37Å; L108-L253 HydrophobicContact CD1-CD2 3.11Å; L108-L253 HydrophobicContact CD1-CG 4.31Å; C228-L253 HydrophobicContact CB-CD1 4.06Å; C228-L253 HydrophobicContact CB-CD2 4.36Å; C228-L253 HydrophobicContact CB-CG 4.47Å; T229-L253 WeakPolarHBondContact O-CA 3.36Å; L230-L253 HydrophobicContact CB-CD1 3.6Å; L230-L253 HydrophobicContact CD1-CB 4.45Å; L230-L253 HydrophobicContact CD1-CD1 4.11Å; L230-L253 HydrophobicContact CG-CD1 4.43Å; L253-V255 HydrophobicContact CD2-CG2 3.5Å; L253-V255 VanDerWaalsContact CD2-CG2 3.5Å; L253-V255 HydrophobicContact CG-CG2 3.76Å
254Y98.4Very high96.5Very high14 Ų1438.8 Ų38.86%0.05519%0.19CC..EExtended strand (participates in β ladder)trans-80.8127.6168.3-172.9-140.4000110.7F76 C228 T229 R256 F284 F294 P295 E296F76-Y254 HydrophobicContact CB-CD2 3.87Å; F76-Y254 CarbonylContact O-C 3.54Å; F76-Y254 WeakPolarHBondContact O-CA 3.23Å; F76-Y254 VanDerWaalsContact O-CD2 3.25Å; F76-Y254 WeakPolarHBondContact O-CD2 3.44Å; C228-Y254 CarbonylContact C-O 3.56Å; C228-Y254 VanDerWaalsContact CA-O 3.23Å; C228-Y254 WeakPolarHBondContact CA-O 3.44Å; T229-Y254 PolarHBondContact N-O 3.18Å; T229-Y254 PolarHBondContact O-N 2.95Å; Y254-R256 HydrophobicContact CD1-CG 4.4Å; Y254-R256 HydrophobicContact CE1-CG 3.75Å; Y254-R256 HydrophobicContact CE2-CG 4.19Å; Y254-F284 HydrophobicContact CD1-CB 4.34Å; Y254-F284 AromaticContact CD1-CD2 3.87Å; Y254-F284 HydrophobicContact CD1-CD2 3.87Å; Y254-F284 HydrophobicContact CD1-CE2 4.44Å; Y254-F284 HydrophobicContact CD1-CG 4.1Å; Y254-F284 HydrophobicContact CE1-CD1 4.16Å; Y254-F284 AromaticContact CE1-CD2 3.58Å; Y254-F284 HydrophobicContact CE1-CD2 3.58Å; Y254-F284 HydrophobicContact CE1-CE1 4.3Å; Y254-F284 AromaticContact CE1-CE2 3.78Å; Y254-F284 HydrophobicContact CE1-CE2 3.78Å; Y254-F284 AromaticContact CE1-CG 3.83Å; Y254-F284 HydrophobicContact CE1-CG 3.83Å; Y254-F284 HydrophobicContact CE1-CZ 4.13Å; Y254-F294 HydrophobicContact CD1-CD1 4.48Å; Y254-F294 HydrophobicContact CD2-CB 4.27Å; Y254-F294 HydrophobicContact CG-CB 4.15Å; Y254-F294 HydrophobicContact CG-CD1 4.29Å; Y254-F294 HydrophobicContact CG-CG 4.22Å; Y254-P295 HydrophobicContact CE1-CG 4.34Å; Y254-P295 HydrophobicContact CE2-CB 4.23Å; Y254-E296 HydrophobicContact CE2-CB 4.14Å; Y254-E296 HydrophobicContact CE2-CG 3.62Å
255V98.1Very high96.3Very high8 Ų844.8 Ų44.85%0.04822%0.218CC..EExtended strand (participates in β ladder)trans-129.3118.6-176.9-173.30000110.1I75 F76 T77 Y85 D227 L253I75-V255 HydrophobicContact CG2-CB 4.31Å; I75-V255 HydrophobicContact CG2-CG2 3.93Å; F76-V255 PolarHBondContact O-N 3.11Å; T77-V255 WeakPolarHBondContact CB-O 3.45Å; T77-V255 PolarHBondContact OG1-O 3.19Å; Y85-V255 HydrophobicContact CE1-CG1 4.3Å; Y85-V255 HydrophobicContact CE2-CG1 4.3Å; Y85-V255 WeakPolarHBondContact OH-CG1 3.34Å; D227-V255 WeakPolarHBondContact O-CA 3.35Å; L253-V255 HydrophobicContact CD2-CG2 3.5Å; L253-V255 VanDerWaalsContact CD2-CG2 3.5Å; L253-V255 HydrophobicContact CG-CG2 3.76Å
256R97.9Very high96.3Very high45 Ų4545.9 Ų45.917%0.1722%0.224CC..EExtended strand (participates in β ladder)trans-109.5128.4171-51.9-176.3-65.4165.1-1.8109.7Y226 D227 Y254 E280Y226-R256 WeakPolarHBondContact CA-O 3.36Å; D227-R256 HydrophobicContact CB-CB 4.24Å; D227-R256 PolarHBondContact N-O 3.38Å; D227-R256 PolarHBondContact O-N 3.19Å; D227-R256 IonicContact OD2-CZ 2.75Å; D227-R256 VanDerWaalsContact OD2-CZ 3.22Å; D227-R256 IonicContact OD2-NE 2.72Å; D227-R256 PolarHBondContact OD2-NE 3.37Å; D227-R256 IonicContact OD2-NH2 3.79Å; D227-R256 PolarHBondContact OD2-NH2 3.48Å; Y254-R256 HydrophobicContact CD1-CG 4.4Å; Y254-R256 HydrophobicContact CE1-CG 3.75Å; Y254-R256 HydrophobicContact CE2-CG 4.19Å; R256-E280 IonicContact CZ-OE2 3.69Å; R256-E280 IonicContact NH1-OE2 2.91Å; R256-E280 PolarHBondContact NH1-OE2 2.93Å; R256-E280 IonicContact NH2-OE2 2.88Å; R256-E280 PolarHBondContact NH2-OE2 3.43Å
257R97.9Very high96.1Very high67 Ų6749.1 Ų49.125%0.25324%0.238SC..EExtended strand (participates in β ladder)trans-89.8118.3173174.3171.9-169.5-68-0.2109.6A81 E88 A224 Y226A81-R257 HydrophobicContact CB-CB 3.81Å; E88-R257 VanDerWaalsContact CD-NH2 3.32Å; E88-R257 IonicContact OE1-CZ 3.02Å; E88-R257 VanDerWaalsContact OE1-CZ 3.23Å; E88-R257 IonicContact OE1-NE 3.23Å; E88-R257 PolarHBondContact OE1-NE 3.26Å; E88-R257 IonicContact OE1-NH2 2.79Å; E88-R257 PolarHBondContact OE1-NH2 3.48Å; E88-R257 IonicContact OE2-CZ 3.24Å; E88-R257 IonicContact OE2-NE 3.78Å; E88-R257 IonicContact OE2-NH2 2.98Å; E88-R257 PolarHBondContact OE2-NH2 3.32Å; A224-R257 HydrophobicContact CB-CG 3.95Å; Y226-R257 HydrophobicContact CD1-CB 4.06Å; Y226-R257 HydrophobicContact CD1-CG 4.02Å; Y226-R257 HydrophobicContact CE1-CB 4.01Å; Y226-R257 HydrophobicContact CE1-CG 3.62Å
258I98.3Very high96Very high28 Ų2850.7 Ų50.714%0.14425%0.25CS..EExtended strand (participates in β ladder)trans-113.8115.3176.5-54.3171.5000107.8A224 V225 D227 D262 W273 L277A224-I258 CarbonylContact C-O 3.5Å; A224-I258 VanDerWaalsContact CA-O 3.27Å; A224-I258 WeakPolarHBondContact CA-O 3.45Å; A224-I258 VanDerWaalsContact CB-O 3.31Å; A224-I258 WeakPolarHBondContact CB-O 3.41Å; V225-I258 PolarHBondContact N-O 3.48Å; V225-I258 PolarHBondContact O-N 3.37Å; D227-I258 HydrophobicContact CB-CD1 4.06Å; I258-D262 HydrophobicContact CG2-CB 4.23Å; I258-W273 HydrophobicContact CD1-CH2 4.28Å; I258-W273 HydrophobicContact CD1-CZ2 3.85Å; I258-W273 HydrophobicContact CG2-CZ2 4.15Å; I258-L277 HydrophobicContact CD1-CD1 3.57Å
259P97.8Very high96Very high29 Ų2955.2 Ų55.219%0.18827%0.265CS..EExtended strand (participates in β ladder)trans-52.6142.1175.1-21.329.9000112.1E261 D262P259-E261 HydrophobicContact CB-CG 3.82Å; P259-E261 VanDerWaalsContact CB-OE1 3.28Å; P259-E261 WeakPolarHBondContact CB-OE1 3.32Å; P259-E261 WeakPolarHBondContact CB-OE2 3.4Å; P259-E261 PolarHBondContact O-N 3.17Å; P259-D262 VanDerWaalsContact CD-OD2 3.32Å; P259-D262 WeakPolarHBondContact CD-OD2 3.23Å; P259-D262 WeakPolarHBondContact CG-OD2 3.37Å; P259-D262 WeakPolarHBondContact O-CB 3.42Å; P259-D262 PolarHBondContact O-N 2.71Å; P259-D262 VanDerWaalsContact O-N 3.16Å
260L96.4Very high96Very high6 Ų655.1 Ų55.13%0.03127%0.265CS..G310 helixtrans-68.5-28.6-174.7-16677000112.1I91 V215 R219 V222 S223 V225 D262 I263I91-L260 HydrophobicContact CD1-CD1 4.31Å; V215-L260 HydrophobicContact CG1-CD1 4.29Å; R219-L260 HydrophobicContact CB-CD2 4.22Å; R219-L260 HydrophobicContact CG-CD2 4.07Å; R219-L260 PolarHBondContact NH1-O 2.73Å; V222-L260 HydrophobicContact CG2-CD1 3.88Å; V222-L260 HydrophobicContact CG2-CD2 3.58Å; V222-L260 HydrophobicContact CG2-CG 4.28Å; V222-L260 WeakPolarHBondContact O-CD2 3.34Å; S223-L260 PolarHBondContact O-N 3.2Å; V225-L260 HydrophobicContact CG2-CD1 4.18Å; L260-D262 PolarHBondContact O-N 3.5Å; L260-I263 HydrophobicContact CD1-CD1 4.26Å; L260-I263 WeakPolarHBondContact O-CB 3.48Å; L260-I263 PolarHBondContact O-N 3.45Å; L260-I263 VanDerWaalsContact O-N 3.1Å
261E95.1Very high95.9Very high139 Ų13954.4 Ų54.465%0.6527%0.265SS*.G310 helixtrans-58.5-28.1173.356.3-91.6-144.500113.1P259 I263P259-E261 HydrophobicContact CB-CG 3.82Å; P259-E261 VanDerWaalsContact CB-OE1 3.28Å; P259-E261 WeakPolarHBondContact CB-OE1 3.32Å; P259-E261 WeakPolarHBondContact CB-OE2 3.4Å; P259-E261 PolarHBondContact O-N 3.17Å; E261-I263 PolarHBondContact O-N 3.33Å
262D96.4Very high95.9Very high103 Ų10357.2 Ų57.255%0.55129%0.288SS*.G310 helixtrans-79.9-7178.3-63.1-25000112.8I258 P259 L260I258-D262 HydrophobicContact CG2-CB 4.23Å; P259-D262 VanDerWaalsContact CD-OD2 3.32Å; P259-D262 WeakPolarHBondContact CD-OD2 3.23Å; P259-D262 WeakPolarHBondContact CG-OD2 3.37Å; P259-D262 WeakPolarHBondContact O-CB 3.42Å; P259-D262 PolarHBondContact O-N 2.71Å; P259-D262 VanDerWaalsContact O-N 3.16Å; L260-D262 PolarHBondContact O-N 3.5Å
263I96.7Very high95.8Very high3 Ų359.4 Ų59.42%0.01530%0.297CS..SBendtrans-94.3124.2-179.3-52.4-166.1000109.8F211 V215 R219 V225 L260 E261 W273F211-I263 HydrophobicContact CE1-CG2 4.28Å; F211-I263 HydrophobicContact CZ-CD1 4.18Å; F211-I263 HydrophobicContact CZ-CG2 4.48Å; V215-I263 HydrophobicContact CG1-CG2 4.04Å; V215-I263 HydrophobicContact CG2-CG2 4.35Å; R219-I263 PolarHBondContact NH2-O 2.91Å; V225-I263 HydrophobicContact CB-CD1 3.71Å; V225-I263 HydrophobicContact CG2-CD1 3.16Å; L260-I263 HydrophobicContact CD1-CD1 4.26Å; L260-I263 WeakPolarHBondContact O-CB 3.48Å; L260-I263 PolarHBondContact O-N 3.45Å; L260-I263 VanDerWaalsContact O-N 3.1Å; E261-I263 PolarHBondContact O-N 3.33Å; I263-W273 HydrophobicContact CD1-CH2 3.67Å; I263-W273 HydrophobicContact CD1-CZ2 3.83Å; I263-W273 HydrophobicContact CD1-CZ3 4.18Å; I263-W273 HydrophobicContact CG1-CH2 4.24Å; I263-W273 HydrophobicContact CG1-CZ2 3.92Å; I263-W273 HydrophobicContact CG2-CD2 4.35Å; I263-W273 HydrophobicContact CG2-CE3 4.3Å
264P95.7Very high95.9Very high37 Ų3758.7 Ų58.724%0.2429%0.293CS..  trans-57.9144.6180-24.433.6000113.5R269 W273P264-R269 HydrophobicContact CB-CB 3.5Å; P264-R269 HydrophobicContact CG-CB 3.97Å; P264-W273 HydrophobicContact CG-CB 4.22Å
265E88.8Confident95.9Very high142 Ų14259.5 Ų59.566%0.66430%0.297SS*.SBendtrans-83.9-34175-68.8-167178.400113.4R219R219-E265 WeakPolarHBondContact CD-OE1 3.36Å; R219-E265 VanDerWaalsContact CZ-CG 3.46Å; R219-E265 IonicContact CZ-OE1 2.68Å; R219-E265 IonicContact NE-OE1 3.2Å; R219-E265 PolarHBondContact NE-OE1 3.36Å; R219-E265 IonicContact NH1-OE1 3.64Å
266D92.5Very high95.9Very high81 Ų8165.1 Ų65.143%0.43332%0.321SS..SBendtrans-64.6133.3177.6171.8-105.4000110.9D268 R269 C270D266-D268 VanDerWaalsContact C-N 3.3Å; D266-D268 PolarHBondContact O-N 3.47Å; D266-D268 PolarHBondContact OD1-N 3.23Å; D266-R269 HydrophobicContact CB-CB 4.19Å; D266-R269 HydrophobicContact CB-CG 4.3Å; D266-R269 PolarHBondContact O-N 3.23Å; D266-R269 WeakPolarHBondContact OD1-CG 3.42Å; D266-R269 PolarHBondContact OD1-N 2.87Å; D266-C270 WeakPolarHBondContact O-CB 3.43Å; D266-C270 PolarHBondContact O-N 3.02Å
267D89.1Confident95.9Very high83 Ų8363.2 Ų63.244%0.44431%0.314SS..Hα-helixtrans-60.9-39.3-172.4-81.9-9.1000111.4S271D267-S271 VanDerWaalsContact O-CB 3.22Å; D267-S271 WeakPolarHBondContact O-CB 3.32Å; D267-S271 PolarHBondContact O-N 3.41Å
268D92.9Very high95.9Very high128 Ų12860 Ų6068%0.68430%0.302SS*.Hα-helixtrans-72.5-44.4-179.2-71.5-24.8000111.5D266 C270 S271 A272D266-D268 VanDerWaalsContact C-N 3.3Å; D266-D268 PolarHBondContact O-N 3.47Å; D266-D268 PolarHBondContact OD1-N 3.23Å; D268-C270 PolarHBondContact O-N 3.16Å; D268-S271 WeakPolarHBondContact O-CB 3.33Å; D268-S271 PolarHBondContact O-N 2.89Å; D268-A272 PolarHBondContact O-N 3.47Å
269R96.1Very high95.9Very high179 Ų17962.5 Ų62.568%0.67531%0.313SS*.Hα-helixtrans-64.8-38.4174.6-68.5-179.3-177.2-169.21.1112.2P264 D266 S271 A272 W273P264-R269 HydrophobicContact CB-CB 3.5Å; P264-R269 HydrophobicContact CG-CB 3.97Å; D266-R269 HydrophobicContact CB-CB 4.19Å; D266-R269 HydrophobicContact CB-CG 4.3Å; D266-R269 PolarHBondContact O-N 3.23Å; D266-R269 WeakPolarHBondContact OD1-CG 3.42Å; D266-R269 PolarHBondContact OD1-N 2.87Å; R269-S271 VanDerWaalsContact C-N 3.34Å; R269-A272 PolarHBondContact O-N 3.36Å; R269-W273 VanDerWaalsContact O-CB 3.27Å; R269-W273 WeakPolarHBondContact O-CB 3.39Å; R269-W273 PolarHBondContact O-N 3.44Å
270C96.5Very high95.9Very high3 Ų363.9 Ų63.92%0.0232%0.317CS..Hα-helixtrans-65.8-39.7176-174.70000111.1D266 D268 W273 L274D266-C270 WeakPolarHBondContact O-CB 3.43Å; D266-C270 PolarHBondContact O-N 3.02Å; D268-C270 PolarHBondContact O-N 3.16Å; C270-W273 PolarHBondContact O-N 2.98Å; C270-L274 PolarHBondContact O-N 3.26Å
271S95.6Very high96Very high29 Ų2963.6 Ų63.620%0.20332%0.316CS..Hα-helixtrans-60.7-49.9172.8-176.30000111.8T208 D267 D268 R269 W273 L274 H275T208-S271 WeakPolarHBondContact CB-OG 3.22Å; T208-S271 VanDerWaalsContact CG2-OG 3.3Å; T208-S271 WeakPolarHBondContact CG2-OG 3.27Å; T208-S271 PolarHBondContact OG1-OG 3.05Å; D267-S271 VanDerWaalsContact O-CB 3.22Å; D267-S271 WeakPolarHBondContact O-CB 3.32Å; D267-S271 PolarHBondContact O-N 3.41Å; D268-S271 WeakPolarHBondContact O-CB 3.33Å; D268-S271 PolarHBondContact O-N 2.89Å; R269-S271 VanDerWaalsContact C-N 3.34Å; S271-W273 VanDerWaalsContact C-N 3.35Å; S271-W273 PolarHBondContact O-N 3.43Å; S271-L274 PolarHBondContact O-N 3.38Å; S271-H275 PolarHBondContact O-CD2 3.3Å; S271-H275 VanDerWaalsContact O-CD2 3.24Å; S271-H275 PolarHBondContact O-N 2.84Å
272A96.8Very high96.1Very high61 Ų6157.7 Ų57.750%0.50429%0.288SS..Hα-helixtrans-61.6-41.6176.600000112.3D268 R269 L274 H275 K276D268-A272 PolarHBondContact O-N 3.47Å; R269-A272 PolarHBondContact O-N 3.36Å; A272-L274 PolarHBondContact O-N 3.36Å; A272-H275 PolarHBondContact O-N 3.45Å; A272-K276 PolarHBondContact O-N 2.84Å
273W98.1Very high96.2Very high47 Ų4755.4 Ų55.418%0.17828%0.284CS..Hα-helixtrans-59-45.8175.2178.495.3000111.6F211 V225 I258 I263 P264 R269 C270 S271 H275 K276 L277F211-W273 AromaticContact CE1-CE3 3.74Å; F211-W273 HydrophobicContact CE1-CE3 3.74Å; F211-W273 AromaticContact CE1-CZ3 3.47Å; F211-W273 HydrophobicContact CE1-CZ3 3.47Å; F211-W273 VanDerWaalsContact CE1-CZ3 3.47Å; F211-W273 HydrophobicContact CE2-CZ3 4.35Å; F211-W273 HydrophobicContact CZ-CE3 4.06Å; F211-W273 HydrophobicContact CZ-CH2 4.05Å; F211-W273 AromaticContact CZ-CZ3 3.32Å; F211-W273 HydrophobicContact CZ-CZ3 3.32Å; V225-W273 HydrophobicContact CG1-CH2 4.41Å; I258-W273 HydrophobicContact CD1-CH2 4.28Å; I258-W273 HydrophobicContact CD1-CZ2 3.85Å; I258-W273 HydrophobicContact CG2-CZ2 4.15Å; I263-W273 HydrophobicContact CD1-CH2 3.67Å; I263-W273 HydrophobicContact CD1-CZ2 3.83Å; I263-W273 HydrophobicContact CD1-CZ3 4.18Å; I263-W273 HydrophobicContact CG1-CH2 4.24Å; I263-W273 HydrophobicContact CG1-CZ2 3.92Å; I263-W273 HydrophobicContact CG2-CD2 4.35Å; I263-W273 HydrophobicContact CG2-CE3 4.3Å; P264-W273 HydrophobicContact CG-CB 4.22Å; R269-W273 VanDerWaalsContact O-CB 3.27Å; R269-W273 WeakPolarHBondContact O-CB 3.39Å; R269-W273 PolarHBondContact O-N 3.44Å; C270-W273 PolarHBondContact O-N 2.98Å; S271-W273 VanDerWaalsContact C-N 3.35Å; S271-W273 PolarHBondContact O-N 3.43Å; W273-H275 PolarHBondContact O-N 2.81Å; W273-K276 WeakPolarHBondContact O-CB 3.26Å; W273-K276 PolarHBondContact O-N 3.04Å; W273-K276 VanDerWaalsContact O-N 3.17Å; W273-L277 HydrophobicContact CH2-CD1 3.92Å; W273-L277 HydrophobicContact CH2-CD2 3.79Å; W273-L277 HydrophobicContact CH2-CG 4.31Å; W273-L277 HydrophobicContact CZ2-CD1 4.06Å; W273-L277 HydrophobicContact CZ3-CB 4.41Å; W273-L277 HydrophobicContact CZ3-CD2 3.83Å; W273-L277 PolarHBondContact O-N 3.24Å
274L98.3Very high96.2Very high0 Ų057.2 Ų57.20%029%0.292CS..Hα-helixtrans-67.5-36.5179.4-173.766.9000112C175 P206 T208 F211 C270 S271 A272 K276 L277 Y278C175-L274 HydrophobicContact CB-CD1 4.49Å; C175-L274 HydrophobicContact CB-CD2 4.05Å; P206-L274 HydrophobicContact CB-CD2 3.84Å; P206-L274 HydrophobicContact CB-CG 3.93Å; P206-L274 HydrophobicContact CG-CD2 4.45Å; P206-L274 HydrophobicContact CG-CG 4.17Å; T208-L274 HydrophobicContact CG2-CB 4.32Å; T208-L274 HydrophobicContact CG2-CD2 3.92Å; F211-L274 HydrophobicContact CB-CD2 3.74Å; F211-L274 HydrophobicContact CD1-CB 4.28Å; F211-L274 HydrophobicContact CD1-CD1 4.11Å; F211-L274 HydrophobicContact CD1-CD2 3.95Å; F211-L274 HydrophobicContact CD1-CG 4.35Å; F211-L274 HydrophobicContact CD2-CD1 4.39Å; F211-L274 HydrophobicContact CE1-CD1 4.28Å; F211-L274 HydrophobicContact CG-CD1 4.17Å; F211-L274 HydrophobicContact CG-CD2 3.9Å; F211-L274 HydrophobicContact CZ-CD1 4.5Å; C270-L274 PolarHBondContact O-N 3.26Å; S271-L274 PolarHBondContact O-N 3.38Å; A272-L274 PolarHBondContact O-N 3.36Å; L274-K276 VanDerWaalsContact C-N 3.32Å; L274-L277 HydrophobicContact CD1-CD2 3.88Å; L274-L277 WeakPolarHBondContact O-CB 3.4Å; L274-L277 PolarHBondContact O-N 3.14Å; L274-Y278 HydrophobicContact CD1-CD2 4.1Å; L274-Y278 HydrophobicContact CD1-CE2 4.03Å; L274-Y278 HydrophobicContact CG-CD2 4.27Å; L274-Y278 HydrophobicContact CG-CE2 4.43Å; L274-Y278 WeakPolarHBondContact O-CD2 3.24Å; L274-Y278 PolarHBondContact O-N 3.12Å
275H98Very high96.3Very high32 Ų3255.6 Ų55.615%0.14828%0.281CS..Hα-helixtrans-62.6-38.8172-83.5-66000112.3S271 A272 W273 Q279S271-H275 PolarHBondContact O-CD2 3.3Å; S271-H275 VanDerWaalsContact O-CD2 3.24Å; S271-H275 PolarHBondContact O-N 2.84Å; A272-H275 PolarHBondContact O-N 3.45Å; W273-H275 PolarHBondContact O-N 2.81Å; H275-Q279 WeakPolarHBondContact O-CG 3.42Å; H275-Q279 PolarHBondContact O-N 3.47Å; H275-Q279 PolarHBondContact O-NE2 3.09Å; H275-Q279 VanDerWaalsContact O-NE2 3.12Å
276K98.2Very high96.7Very high126 Ų12652.3 Ų52.355%0.54827%0.266SS..Hα-helixtrans-66.8-44.3174-173.1-179.2176-174.80111.5A272 W273 L274 Y278 Q279 E280A272-K276 PolarHBondContact O-N 2.84Å; W273-K276 WeakPolarHBondContact O-CB 3.26Å; W273-K276 PolarHBondContact O-N 3.04Å; W273-K276 VanDerWaalsContact O-N 3.17Å; L274-K276 VanDerWaalsContact C-N 3.32Å; K276-Y278 VanDerWaalsContact C-N 3.25Å; K276-Y278 PolarHBondContact O-N 2.6Å; K276-Q279 WeakPolarHBondContact O-CB 3.37Å; K276-Q279 PolarHBondContact O-N 2.85Å; K276-E280 WeakPolarHBondContact CE-OE1 3.28Å; K276-E280 PolarHBondContact O-N 3.19Å
277L98.4Very high96.9Very high5 Ų551.4 Ų51.43%0.02626%0.259CS..Hα-helixtrans-53.6-44.5175.7-17080.7000111.4V93 D227 I258 W273 L274 E280 K281V93-L277 HydrophobicContact CG1-CD2 4.32Å; D227-L277 HydrophobicContact CB-CD1 4.15Å; D227-L277 WeakPolarHBondContact OD1-CD2 3.07Å; I258-L277 HydrophobicContact CD1-CD1 3.57Å; W273-L277 HydrophobicContact CH2-CD1 3.92Å; W273-L277 HydrophobicContact CH2-CD2 3.79Å; W273-L277 HydrophobicContact CH2-CG 4.31Å; W273-L277 HydrophobicContact CZ2-CD1 4.06Å; W273-L277 HydrophobicContact CZ3-CB 4.41Å; W273-L277 HydrophobicContact CZ3-CD2 3.83Å; W273-L277 PolarHBondContact O-N 3.24Å; L274-L277 HydrophobicContact CD1-CD2 3.88Å; L274-L277 WeakPolarHBondContact O-CB 3.4Å; L274-L277 PolarHBondContact O-N 3.14Å; L277-E280 PolarHBondContact O-N 2.84Å; L277-K281 WeakPolarHBondContact O-CG 3.32Å; L277-K281 PolarHBondContact O-N 2.93Å
278Y98.4Very high97.3Very high0 Ų047.8 Ų47.80%024%0.239CC..Hα-helixtrans-71-28.7178.7-93.7-98.7000114.1V93 C175 E176 L200 H203 P206 L274 K276 K281 D282V93-Y278 HydrophobicContact CG1-CE2 4.1Å; C175-Y278 HydrophobicContact CB-CE2 3.74Å; C175-Y278 WeakPolarHBondContact CB-OH 3.42Å; E176-Y278 HydrophobicContact CG-CE1 3.55Å; E176-Y278 PolarHBondContact N-OH 3.39Å; L200-Y278 HydrophobicContact CD1-CD1 4.47Å; H203-Y278 HydrophobicContact CB-CD1 3.97Å; H203-Y278 HydrophobicContact CB-CE1 4.32Å; P206-Y278 HydrophobicContact CB-CD1 4.4Å; P206-Y278 HydrophobicContact CB-CD2 3.57Å; P206-Y278 HydrophobicContact CB-CE1 4.48Å; P206-Y278 HydrophobicContact CB-CE2 3.65Å; P206-Y278 HydrophobicContact CB-CG 3.96Å; P206-Y278 HydrophobicContact CG-CD1 4.47Å; P206-Y278 HydrophobicContact CG-CD2 3.69Å; P206-Y278 HydrophobicContact CG-CE2 4.3Å; P206-Y278 HydrophobicContact CG-CG 3.78Å; L274-Y278 HydrophobicContact CD1-CD2 4.1Å; L274-Y278 HydrophobicContact CD1-CE2 4.03Å; L274-Y278 HydrophobicContact CG-CD2 4.27Å; L274-Y278 HydrophobicContact CG-CE2 4.43Å; L274-Y278 WeakPolarHBondContact O-CD2 3.24Å; L274-Y278 PolarHBondContact O-N 3.12Å; K276-Y278 VanDerWaalsContact C-N 3.25Å; K276-Y278 PolarHBondContact O-N 2.6Å; Y278-K281 HydrophobicContact CD1-CD 4.33Å; Y278-K281 HydrophobicContact CE1-CD 4.33Å; Y278-K281 HydrophobicContact CG-CD 4.43Å; Y278-D282 WeakPolarHBondContact O-CB 3.39Å; Y278-D282 PolarHBondContact O-N 2.89Å
279Q98.4Very high97.4Very high79 Ų7945.2 Ų45.237%0.36922%0.22SC..Hα-helixtrans-66.7-41.8170.7-72.216770.700111.3P198 L200 H275 K276 D282 A283P198-Q279 HydrophobicContact CB-CG 4.2Å; L200-Q279 HydrophobicContact CD2-CB 4.44Å; L200-Q279 HydrophobicContact CD2-CG 3.85Å; H275-Q279 WeakPolarHBondContact O-CG 3.42Å; H275-Q279 PolarHBondContact O-N 3.47Å; H275-Q279 PolarHBondContact O-NE2 3.09Å; H275-Q279 VanDerWaalsContact O-NE2 3.12Å; K276-Q279 WeakPolarHBondContact O-CB 3.37Å; K276-Q279 PolarHBondContact O-N 2.85Å; Q279-D282 WeakPolarHBondContact O-CB 3.48Å; Q279-D282 PolarHBondContact O-N 2.97Å; Q279-A283 PolarHBondContact O-N 3.46Å; Q279-A283 VanDerWaalsContact O-N 3.1Å
280E98.1Very high97.4Very high59 Ų5945.7 Ų45.728%0.27622%0.222SC..Hα-helixtrans-63.9-44.7174.9-65.4171-170.900111.1R256 K276 L277 D282 A283 F284R256-E280 IonicContact CZ-OE2 3.69Å; R256-E280 IonicContact NH1-OE2 2.91Å; R256-E280 PolarHBondContact NH1-OE2 2.93Å; R256-E280 IonicContact NH2-OE2 2.88Å; R256-E280 PolarHBondContact NH2-OE2 3.43Å; K276-E280 WeakPolarHBondContact CE-OE1 3.28Å; K276-E280 PolarHBondContact O-N 3.19Å; L277-E280 PolarHBondContact O-N 2.84Å; E280-D282 VanDerWaalsContact C-N 3.29Å; E280-D282 PolarHBondContact O-N 3.31Å; E280-A283 WeakPolarHBondContact O-CB 3.47Å; E280-A283 PolarHBondContact O-N 3.26Å; E280-F284 HydrophobicContact CB-CE2 3.9Å; E280-F284 HydrophobicContact CB-CZ 4.12Å; E280-F284 WeakPolarHBondContact O-CD2 3.25Å; E280-F284 WeakPolarHBondContact O-CE2 3.49Å; E280-F284 VanDerWaalsContact O-CG 3.32Å; E280-F284 WeakPolarHBondContact O-CG 3.4Å; E280-F284 PolarHBondContact O-N 3.11Å
281K97.8Very high97.3Very high0 Ų048.8 Ų48.80%024%0.241CC..Hα-helixtrans-54-46.1173.2-75.4-173.6175.6-61.40112.6D227 C228 T229 L277 Y278 A283 F284 Q285D227-K281 VanDerWaalsContact CG-NZ 3.28Å; D227-K281 WeakPolarHBondContact OD1-CE 3.36Å; D227-K281 IonicContact OD1-NZ 3.77Å; D227-K281 PolarHBondContact OD1-NZ 3.13Å; D227-K281 IonicContact OD2-NZ 3.14Å; C228-K281 PolarHBondContact O-NZ 3.08Å; T229-K281 PolarHBondContact OG1-NZ 2.93Å; L277-K281 WeakPolarHBondContact O-CG 3.32Å; L277-K281 PolarHBondContact O-N 2.93Å; Y278-K281 HydrophobicContact CD1-CD 4.33Å; Y278-K281 HydrophobicContact CE1-CD 4.33Å; Y278-K281 HydrophobicContact CG-CD 4.43Å; K281-A283 VanDerWaalsContact C-N 3.3Å; K281-A283 PolarHBondContact O-N 3.34Å; K281-F284 PolarHBondContact O-N 2.84Å; K281-Q285 WeakPolarHBondContact O-CB 3.46Å; K281-Q285 PolarHBondContact O-N 3.25Å
282D98Very high97.3Very high14 Ų1449.6 Ų49.68%0.07525%0.254CS..Hα-helixtrans-61.4-40.9-179.6-158.474.1000111.6L200 K201 H202 H203 Y278 Q279 E280 Q285 E286L200-D282 HydrophobicContact CD2-CB 4.04Å; K201-D282 VanDerWaalsContact N-CG 3.26Å; K201-D282 PolarHBondContact N-OD1 2.74Å; K201-D282 PolarHBondContact N-OD2 2.81Å; H202-D282 WeakPolarHBondContact CA-OD1 3.37Å; H202-D282 PolarHBondContact N-OD1 2.73Å; H203-D282 IonicContact CD2-OD1 3.22Å; H203-D282 PolarHBondContact N-OD1 3.03Å; Y278-D282 WeakPolarHBondContact O-CB 3.39Å; Y278-D282 PolarHBondContact O-N 2.89Å; Q279-D282 WeakPolarHBondContact O-CB 3.48Å; Q279-D282 PolarHBondContact O-N 2.97Å; E280-D282 VanDerWaalsContact C-N 3.29Å; E280-D282 PolarHBondContact O-N 3.31Å; D282-Q285 PolarHBondContact O-N 3.4Å; D282-E286 PolarHBondContact O-N 2.79Å
283A98Very high97.2Very high56 Ų5649.7 Ų49.746%0.46325%0.248SC..Hα-helixtrans-64.9-42.1174.900000112.5Q279 E280 K281 Q285 E286 E287Q279-A283 PolarHBondContact O-N 3.46Å; Q279-A283 VanDerWaalsContact O-N 3.1Å; E280-A283 WeakPolarHBondContact O-CB 3.47Å; E280-A283 PolarHBondContact O-N 3.26Å; K281-A283 VanDerWaalsContact C-N 3.3Å; K281-A283 PolarHBondContact O-N 3.34Å; A283-Q285 VanDerWaalsContact C-N 3.29Å; A283-Q285 PolarHBondContact O-N 3.08Å; A283-E286 PolarHBondContact O-N 2.68Å; A283-E287 PolarHBondContact O-N 3.45Å
284F96.8Very high97.2Very high40 Ų4047.8 Ų47.818%0.17524%0.241CC..Hα-helixtrans-64.7-36.5175-54.1-44.1000112.2Y254 E280 K281 E287 Y288 F294 P295Y254-F284 HydrophobicContact CD1-CB 4.34Å; Y254-F284 AromaticContact CD1-CD2 3.87Å; Y254-F284 HydrophobicContact CD1-CD2 3.87Å; Y254-F284 HydrophobicContact CD1-CE2 4.44Å; Y254-F284 HydrophobicContact CD1-CG 4.1Å; Y254-F284 HydrophobicContact CE1-CD1 4.16Å; Y254-F284 AromaticContact CE1-CD2 3.58Å; Y254-F284 HydrophobicContact CE1-CD2 3.58Å; Y254-F284 HydrophobicContact CE1-CE1 4.3Å; Y254-F284 AromaticContact CE1-CE2 3.78Å; Y254-F284 HydrophobicContact CE1-CE2 3.78Å; Y254-F284 AromaticContact CE1-CG 3.83Å; Y254-F284 HydrophobicContact CE1-CG 3.83Å; Y254-F284 HydrophobicContact CE1-CZ 4.13Å; E280-F284 HydrophobicContact CB-CE2 3.9Å; E280-F284 HydrophobicContact CB-CZ 4.12Å; E280-F284 WeakPolarHBondContact O-CD2 3.25Å; E280-F284 WeakPolarHBondContact O-CE2 3.49Å; E280-F284 VanDerWaalsContact O-CG 3.32Å; E280-F284 WeakPolarHBondContact O-CG 3.4Å; E280-F284 PolarHBondContact O-N 3.11Å; K281-F284 PolarHBondContact O-N 2.84Å; F284-E287 PolarHBondContact O-N 2.96Å; F284-Y288 WeakPolarHBondContact O-CB 3.42Å; F284-Y288 PolarHBondContact O-N 3.23Å; F284-F294 HydrophobicContact CB-CD1 4.48Å; F284-F294 HydrophobicContact CB-CE1 4.5Å; F284-P295 HydrophobicContact CD1-CG 4.14Å
285Q97.2Very high97Very high3 Ų349.9 Ų49.91%0.01426%0.255CS..Hα-helixtrans-69.8-38.8178.9-171.256.565.900111.7H202 N231 K281 D282 A283 Y288 Y289H202-Q285 HydrophobicContact CB-CB 3.96Å; H202-Q285 HydrophobicContact CB-CG 3.43Å; H202-Q285 VanDerWaalsContact CB-CG 3.43Å; N231-Q285 PolarHBondContact ND2-NE2 2.8Å; K281-Q285 WeakPolarHBondContact O-CB 3.46Å; K281-Q285 PolarHBondContact O-N 3.25Å; D282-Q285 PolarHBondContact O-N 3.4Å; A283-Q285 VanDerWaalsContact C-N 3.29Å; A283-Q285 PolarHBondContact O-N 3.08Å; Q285-Y288 PolarHBondContact O-N 2.88Å; Q285-Y289 HydrophobicContact CG-CD2 4.27Å; Q285-Y289 HydrophobicContact CG-CE2 3.77Å; Q285-Y289 PolarHBondContact NE2-OH 2.97Å; Q285-Y289 WeakPolarHBondContact O-CD2 3.16Å; Q285-Y289 PolarHBondContact O-N 2.95Å; Q285-Y289 VanDerWaalsContact O-N 3.1Å
286E97.1Very high96.8Very high74 Ų7453.1 Ų53.135%0.34627%0.27SS..Hα-helixtrans-60.4-47.9170.3-179.481.3153.900111.1K201 H202 D282 A283 Y288 Y289 R290K201-E286 IonicContact NZ-OE1 2.69Å; K201-E286 PolarHBondContact NZ-OE1 2.73Å; K201-E286 IonicContact NZ-OE2 3.56Å; H202-E286 IonicContact CD2-OE2 2.71Å; H202-E286 IonicContact CE1-OE2 3.98Å; H202-E286 PolarHBondContact CE1-OE2 3.24Å; H202-E286 IonicContact NE2-OE2 3.76Å; H202-E286 PolarHBondContact NE2-OE2 3.47Å; D282-E286 PolarHBondContact O-N 2.79Å; A283-E286 PolarHBondContact O-N 2.68Å; E286-Y288 VanDerWaalsContact C-N 3.32Å; E286-Y288 PolarHBondContact O-N 2.9Å; E286-Y289 PolarHBondContact O-N 3.4Å; E286-Y289 VanDerWaalsContact O-N 3.15Å; E286-R290 PolarHBondContact O-N 2.85Å; E286-R290 VanDerWaalsContact O-N 3.11Å
287E96.7Very high96.6Very high61 Ų6150.3 Ų50.329%0.28526%0.263SS..Hα-helixtrans-63.5-39.3179.8-171.859-154.200112.1A283 F284 Y289 R290 T291A283-E287 PolarHBondContact O-N 3.45Å; F284-E287 PolarHBondContact O-N 2.96Å; E287-Y289 VanDerWaalsContact C-N 3.32Å; E287-Y289 PolarHBondContact O-N 2.93Å; E287-R290 WeakPolarHBondContact O-CB 3.41Å; E287-R290 PolarHBondContact O-N 3.29Å; E287-R290 VanDerWaalsContact O-N 3.12Å; E287-R290 IonicContact OE1-CZ 2.72Å; E287-R290 IonicContact OE1-NE 3.38Å; E287-R290 PolarHBondContact OE1-NE 3.26Å; E287-R290 IonicContact OE1-NH2 3.51Å; E287-R290 PolarHBondContact OE1-NH2 3.49Å; E287-R290 IonicContact OE2-CZ 3.41Å; E287-R290 IonicContact OE2-NE 2.82Å; E287-R290 PolarHBondContact OE2-NE 3.19Å; E287-R290 VanDerWaalsContact OE2-NE 3.14Å; E287-R290 IonicContact OE2-NH2 3.23Å; E287-R290 PolarHBondContact OE2-NH2 3.25Å; E287-T291 HydrophobicContact CG-CG2 4.37Å; E287-T291 PolarHBondContact O-N 3.49Å; E287-T291 PolarHBondContact O-OG1 2.74Å; E287-T291 WeakPolarHBondContact OE1-CG2 3.09Å
288Y97.1Very high96.5Very high8 Ų853.9 Ų53.93%0.03129%0.287CS..Hα-helixtrans-61-42.1174.3-174.3-75.6000111.2N231 R233 D252 F284 Q285 E286 R290 T291 G292 F294N231-Y288 HydrophobicContact CB-CD1 4.29Å; N231-Y288 HydrophobicContact CB-CE1 4.04Å; N231-Y288 WeakPolarHBondContact ND2-CD1 3.17Å; N231-Y288 WeakPolarHBondContact ND2-CE1 3.21Å; R233-Y288 WeakPolarHBondContact CG-OH 3.48Å; D252-Y288 HydrophobicContact CB-CE2 3.87Å; D252-Y288 PolarHBondContact OD2-OH 3.22Å; F284-Y288 WeakPolarHBondContact O-CB 3.42Å; F284-Y288 PolarHBondContact O-N 3.23Å; Q285-Y288 PolarHBondContact O-N 2.88Å; E286-Y288 VanDerWaalsContact C-N 3.32Å; E286-Y288 PolarHBondContact O-N 2.9Å; Y288-R290 PolarHBondContact O-N 3.39Å; Y288-T291 PolarHBondContact O-N 3.39Å; Y288-G292 VanDerWaalsContact O-CA 3.26Å; Y288-G292 WeakPolarHBondContact O-CA 3.48Å; Y288-G292 PolarHBondContact O-N 2.98Å; Y288-F294 HydrophobicContact CD2-CB 4.25Å; Y288-F294 AromaticContact CD2-CD1 3.61Å; Y288-F294 HydrophobicContact CD2-CD1 3.61Å; Y288-F294 AromaticContact CD2-CD2 3.39Å; Y288-F294 HydrophobicContact CD2-CD2 3.39Å; Y288-F294 AromaticContact CD2-CE1 3.67Å; Y288-F294 HydrophobicContact CD2-CE1 3.67Å; Y288-F294 AromaticContact CD2-CE2 3.47Å; Y288-F294 HydrophobicContact CD2-CE2 3.47Å; Y288-F294 VanDerWaalsContact CD2-CE2 3.47Å; Y288-F294 AromaticContact CD2-CG 3.46Å; Y288-F294 HydrophobicContact CD2-CG 3.46Å; Y288-F294 VanDerWaalsContact CD2-CG 3.46Å; Y288-F294 AromaticContact CD2-CZ 3.6Å; Y288-F294 HydrophobicContact CD2-CZ 3.6Å; Y288-F294 AromaticContact CE2-CD2 3.53Å; Y288-F294 HydrophobicContact CE2-CD2 3.53Å; Y288-F294 AromaticContact CE2-CE2 3.59Å; Y288-F294 HydrophobicContact CE2-CE2 3.59Å; Y288-F294 HydrophobicContact CE2-CG 4.03Å; Y288-F294 HydrophobicContact CE2-CZ 4.15Å; Y288-F294 HydrophobicContact CG-CD1 4.2Å; Y288-F294 HydrophobicContact CG-CD2 4.5Å; Y288-F294 AromaticContact CG-CE1 3.94Å; Y288-F294 HydrophobicContact CG-CE1 3.94Å; Y288-F294 HydrophobicContact CG-CE2 4.27Å; Y288-F294 HydrophobicContact CG-CG 4.46Å; Y288-F294 AromaticContact CG-CZ 3.98Å; Y288-F294 HydrophobicContact CG-CZ 3.98Å
289Y95.9Very high96.3Very high74 Ų7456.3 Ų56.329%0.2930%0.299SS..Hα-helixtrans-65.8-26.8176.8-74.3-50.2000112.9K97 H202 N235 Q285 E286 E287K97-Y289 PolarHBondContact NZ-OH 2.79Å; H202-Y289 AromaticContact CE1-CD2 3.46Å; H202-Y289 VanDerWaalsContact CE1-CD2 3.46Å; H202-Y289 WeakPolarHBondContact CE1-CD2 3.45Å; H202-Y289 AromaticContact CE1-CE2 3.65Å; H202-Y289 AromaticContact CG-CE2 3.97Å; H202-Y289 AromaticContact ND1-CD2 3.71Å; H202-Y289 AromaticContact ND1-CE2 3.38Å; H202-Y289 WeakPolarHBondContact ND1-CE2 3.5Å; H202-Y289 AromaticContact NE2-CD2 3.89Å; N235-Y289 WeakPolarHBondContact OD1-CD1 3.45Å; N235-Y289 WeakPolarHBondContact OD1-CE1 3.37Å; Q285-Y289 HydrophobicContact CG-CD2 4.27Å; Q285-Y289 HydrophobicContact CG-CE2 3.77Å; Q285-Y289 PolarHBondContact NE2-OH 2.97Å; Q285-Y289 WeakPolarHBondContact O-CD2 3.16Å; Q285-Y289 PolarHBondContact O-N 2.95Å; Q285-Y289 VanDerWaalsContact O-N 3.1Å; E286-Y289 PolarHBondContact O-N 3.4Å; E286-Y289 VanDerWaalsContact O-N 3.15Å; E287-Y289 VanDerWaalsContact C-N 3.32Å; E287-Y289 PolarHBondContact O-N 2.93Å
290R95.1Very high96.1Very high188 Ų18857 Ų5771%0.70931%0.309SS*.Hα-helixtrans-79.1-40.3175.7-172.2175.373.1166.36.1113.3E286 E287 Y288E286-R290 PolarHBondContact O-N 2.85Å; E286-R290 VanDerWaalsContact O-N 3.11Å; E287-R290 WeakPolarHBondContact O-CB 3.41Å; E287-R290 PolarHBondContact O-N 3.29Å; E287-R290 VanDerWaalsContact O-N 3.12Å; E287-R290 IonicContact OE1-CZ 2.72Å; E287-R290 IonicContact OE1-NE 3.38Å; E287-R290 PolarHBondContact OE1-NE 3.26Å; E287-R290 IonicContact OE1-NH2 3.51Å; E287-R290 PolarHBondContact OE1-NH2 3.49Å; E287-R290 IonicContact OE2-CZ 3.41Å; E287-R290 IonicContact OE2-NE 2.82Å; E287-R290 PolarHBondContact OE2-NE 3.19Å; E287-R290 VanDerWaalsContact OE2-NE 3.14Å; E287-R290 IonicContact OE2-NH2 3.23Å; E287-R290 PolarHBondContact OE2-NH2 3.25Å; Y288-R290 PolarHBondContact O-N 3.39Å
291T95.7Very high95.8Very high69 Ų6954.3 Ų54.342%0.42330%0.296SS..Hα-helixtrans-109.9-18.6-168.160.30000114.6E287 Y288 T293E287-T291 HydrophobicContact CG-CG2 4.37Å; E287-T291 PolarHBondContact O-N 3.49Å; E287-T291 PolarHBondContact O-OG1 2.74Å; E287-T291 WeakPolarHBondContact OE1-CG2 3.09Å; Y288-T291 PolarHBondContact O-N 3.39Å; T291-T293 VanDerWaalsContact C-N 3.29Å; T291-T293 PolarHBondContact OG1-N 2.92Å; T291-T293 PolarHBondContact OG1-O 3.49Å
292G94.4Very high95.6Very high45 Ų4559 Ų5946%0.46433%0.326SS..SBendtrans77.67.1-175.200000114.9Y288Y288-G292 VanDerWaalsContact O-CA 3.26Å; Y288-G292 WeakPolarHBondContact O-CA 3.48Å; Y288-G292 PolarHBondContact O-N 2.98Å
293T95.9Very high95.5Very high64 Ų6462.6 Ų62.639%0.39334%0.339SS..SBendtrans-140.9151.6180-174.10000111.3F76 T291F76-T293 WeakPolarHBondContact CE1-OG1 3.34Å; T291-T293 VanDerWaalsContact C-N 3.29Å; T291-T293 PolarHBondContact OG1-N 2.92Å; T291-T293 PolarHBondContact OG1-O 3.49Å
294F97.4Very high95.3Very high6 Ų663.4 Ų63.43%0.02633%0.33CS..  trans-82.9163.9168.6-77.8-59.7000110.9F76 T229 N231 D252 Y254 F284 Y288F76-F294 HydrophobicContact CB-CB 3.78Å; F76-F294 HydrophobicContact CD1-CB 3.93Å; F76-F294 WeakPolarHBondContact CD1-O 3.18Å; F76-F294 HydrophobicContact CD2-CB 4.08Å; F76-F294 HydrophobicContact CD2-CD2 4.23Å; F76-F294 HydrophobicContact CG-CB 3.66Å; T229-F294 HydrophobicContact CG2-CE1 4.05Å; T229-F294 HydrophobicContact CG2-CZ 3.86Å; N231-F294 HydrophobicContact CB-CE2 4.01Å; N231-F294 HydrophobicContact CB-CZ 3.87Å; D252-F294 HydrophobicContact CB-CD2 4.11Å; D252-F294 HydrophobicContact CB-CE2 4.26Å; D252-F294 WeakPolarHBondContact O-CE2 3.25Å; Y254-F294 HydrophobicContact CD1-CD1 4.48Å; Y254-F294 HydrophobicContact CD2-CB 4.27Å; Y254-F294 HydrophobicContact CG-CB 4.15Å; Y254-F294 HydrophobicContact CG-CD1 4.29Å; Y254-F294 HydrophobicContact CG-CG 4.22Å; F284-F294 HydrophobicContact CB-CD1 4.48Å; F284-F294 HydrophobicContact CB-CE1 4.5Å; Y288-F294 HydrophobicContact CD2-CB 4.25Å; Y288-F294 AromaticContact CD2-CD1 3.61Å; Y288-F294 HydrophobicContact CD2-CD1 3.61Å; Y288-F294 AromaticContact CD2-CD2 3.39Å; Y288-F294 HydrophobicContact CD2-CD2 3.39Å; Y288-F294 AromaticContact CD2-CE1 3.67Å; Y288-F294 HydrophobicContact CD2-CE1 3.67Å; Y288-F294 AromaticContact CD2-CE2 3.47Å; Y288-F294 HydrophobicContact CD2-CE2 3.47Å; Y288-F294 VanDerWaalsContact CD2-CE2 3.47Å; Y288-F294 AromaticContact CD2-CG 3.46Å; Y288-F294 HydrophobicContact CD2-CG 3.46Å; Y288-F294 VanDerWaalsContact CD2-CG 3.46Å; Y288-F294 AromaticContact CD2-CZ 3.6Å; Y288-F294 HydrophobicContact CD2-CZ 3.6Å; Y288-F294 AromaticContact CE2-CD2 3.53Å; Y288-F294 HydrophobicContact CE2-CD2 3.53Å; Y288-F294 AromaticContact CE2-CE2 3.59Å; Y288-F294 HydrophobicContact CE2-CE2 3.59Å; Y288-F294 HydrophobicContact CE2-CG 4.03Å; Y288-F294 HydrophobicContact CE2-CZ 4.15Å; Y288-F294 HydrophobicContact CG-CD1 4.2Å; Y288-F294 HydrophobicContact CG-CD2 4.5Å; Y288-F294 AromaticContact CG-CE1 3.94Å; Y288-F294 HydrophobicContact CG-CE1 3.94Å; Y288-F294 HydrophobicContact CG-CE2 4.27Å; Y288-F294 HydrophobicContact CG-CG 4.46Å; Y288-F294 AromaticContact CG-CZ 3.98Å; Y288-F294 HydrophobicContact CG-CZ 3.98Å
295P93.4Very high95.4Very high45 Ų4564.6 Ų64.629%0.29234%0.342SS..SBendtrans-61.2169168.6-1932.3000111.8F76 Y254 F284F76-P295 WeakPolarHBondContact CB-O 3.19Å; Y254-P295 HydrophobicContact CE1-CG 4.34Å; Y254-P295 HydrophobicContact CE2-CB 4.23Å; F284-P295 HydrophobicContact CD1-CG 4.14Å
296E95.1Very high95.4Very high99 Ų9971 Ų7146%0.46337%0.366SS..SBendtrans72178.9177.5-54.5-64.4166.600115.8Y254Y254-E296 HydrophobicContact CE2-CB 4.14Å; Y254-E296 HydrophobicContact CE2-CG 3.62Å
297T93.2Very high95.5Very high67 Ų6767.5 Ų67.541%0.41135%0.349SS..EExtended strand (participates in β ladder)trans-77.2128-174.4-57.60000110.7T77 M299T77-T297 PolarHBondContact N-O 3.42Å; T297-M299 HydrophobicContact CG2-CG 4.32Å
298P96.7Very high95.5Very high80 Ų8067 Ų6752%0.51935%0.349SS..EExtended strand (participates in β ladder)trans-72.1128.4171.829-33000110.4T74 I75 F76T74-P298 HydrophobicContact CG2-CB 3.86Å; I75-P298 CarbonylContact O-C 3.59Å; I75-P298 WeakPolarHBondContact O-CA 3.01Å; F76-P298 HydrophobicContact CD1-CB 4.21Å; F76-P298 HydrophobicContact CE1-CB 3.79Å; F76-P298 HydrophobicContact CE1-CG 4.44Å; F76-P298 HydrophobicContact CZ-CB 4.07Å
299M94.7Very high95.6Very high52 Ų5270.3 Ų70.326%0.25637%0.369SS..EExtended strand (participates in β ladder)trans-132.5129.3178.4-57.4-175.585.100109.1I75 T77 Y82 T297 P301I75-M299 PolarHBondContact N-O 2.91Å; I75-M299 PolarHBondContact O-N 3.45Å; T77-M299 HydrophobicContact CG2-SD 4.09Å; Y82-M299 HydrophobicContact CD1-CE 3.99Å; Y82-M299 HydrophobicContact CD1-SD 4.48Å; Y82-M299 HydrophobicContact CD2-CB 4.47Å; Y82-M299 HydrophobicContact CD2-CE 3.96Å; Y82-M299 HydrophobicContact CD2-SD 3.47Å; Y82-M299 WeakPolarHBondContact CD2-SD 3.17Å; Y82-M299 HydrophobicContact CE1-CE 4.19Å; Y82-M299 HydrophobicContact CE2-CB 4.12Å; Y82-M299 HydrophobicContact CE2-CE 4.15Å; Y82-M299 HydrophobicContact CE2-SD 3.95Å; Y82-M299 HydrophobicContact CG-CE 3.87Å; Y82-M299 HydrophobicContact CG-SD 3.77Å; T297-M299 HydrophobicContact CG2-CG 4.32Å; M299-P301 VanDerWaalsContact O-CD 3.28Å; M299-P301 WeakPolarHBondContact O-CD 3.36Å
300V94.1Very high95.7Very high94 Ų9467.7 Ų67.757%0.5736%0.361SS*.  trans-105.398.3173-176.70000107.6T74T74-V300 HydrophobicContact CG2-CG2 4.14Å
301P91.1Very high95.9Very high2 Ų260.6 Ų60.61%0.01333%0.334CS..PPolyproline II helixtrans-55.8141173.819.3-29.5000109.9I75 Y82 L108 R111 F112 M299I75-P301 HydrophobicContact CD1-CG 3.77Å; I75-P301 HydrophobicContact CG1-CG 4.31Å; Y82-P301 WeakPolarHBondContact OH-CA 3.36Å; Y82-P301 WeakPolarHBondContact OH-CB 3.29Å; L108-P301 HydrophobicContact CD2-CG 4.2Å; R111-P301 HydrophobicContact CB-CB 3.96Å; R111-P301 HydrophobicContact CB-CG 4.27Å; R111-P301 WeakPolarHBondContact CD-O 3.26Å; R111-P301 HydrophobicContact CG-CB 4.46Å; R111-P301 PolarHBondContact NH1-O 3.49Å; F112-P301 HydrophobicContact CZ-CB 4.37Å; F112-P301 HydrophobicContact CZ-CG 4.49Å; M299-P301 VanDerWaalsContact O-CD 3.28Å; M299-P301 WeakPolarHBondContact O-CD 3.36Å
302P93.6Very high96Very high98 Ų9861.4 Ų61.464%0.63634%0.335SS*.PPolyproline II helixtrans-65.2143.8-177.226-34000111.8
303R95.4Very high96.2Very high89 Ų8964.9 Ų64.934%0.33634%0.337SS..PPolyproline II helixtrans-64.1137.5169.7-72179.7-178.8155.22.5109.1E66 W67 G70 T71E66-R303 PolarHBondContact O-NH1 3.27Å; E66-R303 PolarHBondContact O-NH2 2.92Å; W67-R303 HydrophobicContact CZ2-CB 4.14Å; G70-R303 PolarHBondContact O-NH2 3.31Å; T71-R303 PolarHBondContact O-NH2 3.11Å
304R95.6Very high96.3Very high73 Ų7362.9 Ų62.928%0.27532%0.323SS..PPolyproline II helixtrans-93.4137.1172.9-66.4172.176.9-142.90.2109.1E110 W306E110-R304 WeakPolarHBondContact O-CD 3.3Å; E110-R304 PolarHBondContact O-NH1 3.12Å; E110-R304 WeakPolarHBondContact OE1-CB 3.16Å; E110-R304 IonicContact OE1-CZ 2.74Å; E110-R304 IonicContact OE1-NE 3.52Å; E110-R304 IonicContact OE1-NH1 3.49Å; E110-R304 PolarHBondContact OE1-NH1 2.97Å; E110-R304 IonicContact OE2-NH1 3.35Å; R304-W306 PolarHBondContact O-N 3.36Å
305P97.3Very high96.3Very high65 Ų6562.9 Ų62.942%0.42232%0.324SS..THydrogen-bonded Turntrans-71.7-14.9-175.929.6-36.1000113.3T307 L308 V309P305-T307 VanDerWaalsContact C-N 3.29Å; P305-T307 PolarHBondContact O-N 3.17Å; P305-L308 WeakPolarHBondContact O-CB 3.45Å; P305-L308 PolarHBondContact O-N 2.89Å; P305-L308 VanDerWaalsContact O-N 3.12Å; P305-V309 WeakPolarHBondContact O-CG2 3.44Å; P305-V309 PolarHBondContact O-N 3.45Å
306W97.9Very high96.4Very high138 Ų13864.9 Ų64.952%0.52334%0.339SS..Hα-helixtrans-61.8-31.8-170-55121.1000114.2Y55 R304 N310Y55-W306 WeakPolarHBondContact OH-CB 3.23Å; R304-W306 PolarHBondContact O-N 3.36Å; W306-N310 WeakPolarHBondContact O-CB 3.27Å; W306-N310 PolarHBondContact O-N 3.1Å
307T98.1Very high96.5Very high0 Ų064.4 Ų64.40%034%0.339CS..Hα-helixtrans-67.4-40.9176.860.70000111.6V62 W67 E110 P305 W311V62-T307 HydrophobicContact CB-CG2 4.22Å; V62-T307 HydrophobicContact CG1-CG2 4.01Å; W67-T307 PolarHBondContact NE1-OG1 3.34Å; W67-T307 VanDerWaalsContact NE1-OG1 3.11Å; E110-T307 VanDerWaalsContact CD-CG2 3.46Å; E110-T307 HydrophobicContact CG-CG2 3.55Å; P305-T307 VanDerWaalsContact C-N 3.29Å; P305-T307 PolarHBondContact O-N 3.17Å; T307-W311 PolarHBondContact O-N 2.84Å; T307-W311 VanDerWaalsContact O-N 3.1Å
308L98.2Very high96.7Very high52 Ų5261.5 Ų61.527%0.27232%0.321SS..Hα-helixtrans-68.1-46.7174179.961.9000111.5M63 W67 P305 N310 W311 L312M63-L308 HydrophobicContact CG-CB 4.49Å; M63-L308 HydrophobicContact CG-CD1 4.37Å; W67-L308 HydrophobicContact CD2-CB 4.09Å; W67-L308 HydrophobicContact CD2-CD2 4.05Å; W67-L308 HydrophobicContact CE3-CD2 3.82Å; W67-L308 HydrophobicContact CG-CB 4.23Å; W67-L308 HydrophobicContact CH2-CD2 4.44Å; W67-L308 HydrophobicContact CZ2-CB 4.48Å; W67-L308 HydrophobicContact CZ3-CD2 4.03Å; P305-L308 WeakPolarHBondContact O-CB 3.45Å; P305-L308 PolarHBondContact O-N 2.89Å; P305-L308 VanDerWaalsContact O-N 3.12Å; L308-N310 PolarHBondContact O-N 3.25Å; L308-W311 PolarHBondContact O-N 2.91Å; L308-L312 HydrophobicContact CD1-CD1 4.25Å; L308-L312 HydrophobicContact CD1-CG 4.25Å; L308-L312 HydrophobicContact CG-CD1 4.05Å; L308-L312 HydrophobicContact CG-CG 4.47Å; L308-L312 WeakPolarHBondContact O-CG 3.42Å; L308-L312 PolarHBondContact O-N 2.89Å
309V98.6Very high96.7Very high76 Ų7659 Ų5946%0.46130%0.304SS..Hα-helixtrans-60.6-45.3178.7173.50000111.2P305 W311 L312 F313P305-V309 WeakPolarHBondContact O-CG2 3.44Å; P305-V309 PolarHBondContact O-N 3.45Å; V309-W311 VanDerWaalsContact C-N 3.34Å; V309-W311 PolarHBondContact O-N 3.19Å; V309-L312 PolarHBondContact O-N 3.08Å; V309-F313 WeakPolarHBondContact O-CB 3.26Å; V309-F313 PolarHBondContact O-N 3.08Å
310N98.6Very high96.6Very high20 Ų2064 Ų6411%0.10732%0.32CS..Hα-helixtrans-61.2-43.2176.5176.875.5000111.3C56 S59 W306 L308 F313 W314C56-N310 PolarHBondContact O-ND2 3.36Å; C56-N310 PolarHBondContact SG-OD1 2.87Å; C56-N310 VanDerWaalsContact SG-OD1 3.4Å; S59-N310 PolarHBondContact OG-ND2 3.09Å; W306-N310 WeakPolarHBondContact O-CB 3.27Å; W306-N310 PolarHBondContact O-N 3.1Å; L308-N310 PolarHBondContact O-N 3.25Å; N310-F313 PolarHBondContact O-N 3.28Å; N310-W314 PolarHBondContact O-N 3.06Å; N310-W314 PolarHBondContact OD1-NE1 2.79Å
311W98.5Very high96.6Very high38 Ų3862.8 Ų62.814%0.14432%0.315CS..Hα-helixtrans-64.8-44.7177.4-17486.3000112.3F17 M63 T307 L308 V309 F313 W314 A315F17-W311 AromaticContact CD1-CE2 3.72Å; F17-W311 AromaticContact CD1-CZ2 3.61Å; F17-W311 HydrophobicContact CD1-CZ2 3.61Å; F17-W311 AromaticContact CD1-NE1 3.52Å; F17-W311 HydrophobicContact CE1-CD2 4.38Å; F17-W311 AromaticContact CE1-CE2 3.48Å; F17-W311 VanDerWaalsContact CE1-CE2 3.48Å; F17-W311 HydrophobicContact CE1-CH2 4.07Å; F17-W311 AromaticContact CE1-CZ2 3.3Å; F17-W311 HydrophobicContact CE1-CZ2 3.3Å; F17-W311 AromaticContact CE1-NE1 3.68Å; F17-W311 HydrophobicContact CZ-CH2 4.46Å; F17-W311 HydrophobicContact CZ-CZ2 4.06Å; M63-W311 HydrophobicContact CE-CB 3.79Å; M63-W311 HydrophobicContact CE-CD2 3.55Å; M63-W311 HydrophobicContact CE-CE3 4.37Å; M63-W311 HydrophobicContact CE-CG 3.2Å; M63-W311 HydrophobicContact CG-CB 3.97Å; M63-W311 HydrophobicContact CG-CG 4.41Å; M63-W311 HydrophobicContact SD-CG 4.36Å; T307-W311 PolarHBondContact O-N 2.84Å; T307-W311 VanDerWaalsContact O-N 3.1Å; L308-W311 PolarHBondContact O-N 2.91Å; V309-W311 VanDerWaalsContact C-N 3.34Å; V309-W311 PolarHBondContact O-N 3.19Å; W311-F313 VanDerWaalsContact C-N 3.33Å; W311-F313 PolarHBondContact O-N 3.34Å; W311-W314 PolarHBondContact O-N 3.15Å; W311-A315 HydrophobicContact CD2-CB 4.35Å; W311-A315 HydrophobicContact CE3-CB 4.15Å; W311-A315 HydrophobicContact CH2-CB 4.09Å; W311-A315 HydrophobicContact CZ2-CB 4.27Å; W311-A315 HydrophobicContact CZ3-CB 4.01Å; W311-A315 VanDerWaalsContact O-CB 3.23Å; W311-A315 WeakPolarHBondContact O-CB 3.35Å; W311-A315 PolarHBondContact O-N 2.94Å
312L98.3Very high96.6Very high86 Ų8664.1 Ų64.145%0.4532%0.32SS..Hα-helixtrans-60.3-43.4176.8-71.7171.6000111.4L308 V309 A315 S316L308-L312 HydrophobicContact CD1-CD1 4.25Å; L308-L312 HydrophobicContact CD1-CG 4.25Å; L308-L312 HydrophobicContact CG-CD1 4.05Å; L308-L312 HydrophobicContact CG-CG 4.47Å; L308-L312 WeakPolarHBondContact O-CG 3.42Å; L308-L312 PolarHBondContact O-N 2.89Å; V309-L312 PolarHBondContact O-N 3.08Å; L312-A315 PolarHBondContact O-N 3.22Å; L312-S316 WeakPolarHBondContact O-CB 3.38Å; L312-S316 PolarHBondContact O-N 2.85Å; L312-S316 PolarHBondContact O-OG 3.43Å; L312-S316 VanDerWaalsContact O-OG 3.08Å
313F98.3Very high96.5Very high118 Ų11864.8 Ų64.852%0.51831%0.313SS..Hα-helixtrans-56.4-52.5174.8169-97.6000111.7V309 N310 W311 S316 L317V309-F313 WeakPolarHBondContact O-CB 3.26Å; V309-F313 PolarHBondContact O-N 3.08Å; N310-F313 PolarHBondContact O-N 3.28Å; W311-F313 VanDerWaalsContact C-N 3.33Å; W311-F313 PolarHBondContact O-N 3.34Å; F313-S316 PolarHBondContact O-N 3.47Å; F313-L317 HydrophobicContact CE1-CD2 4.18Å; F313-L317 HydrophobicContact CZ-CD2 4.1Å; F313-L317 WeakPolarHBondContact O-CB 3.32Å; F313-L317 PolarHBondContact O-N 3.48Å
314W98.4Very high96.4Very high23 Ų2365 Ų659%0.08732%0.319CS..Hα-helixtrans-65.6-41.4179.7-79.1110.9000112.2V20 I27 I28 N310 W311 S316 L317 V318V20-W314 HydrophobicContact CG1-CB 4.15Å; I27-W314 HydrophobicContact CB-CH2 4.46Å; I27-W314 HydrophobicContact CB-CZ3 4.32Å; I27-W314 HydrophobicContact CD1-CZ3 4.19Å; I27-W314 HydrophobicContact CG2-CH2 3.94Å; I27-W314 HydrophobicContact CG2-CZ3 4.07Å; I28-W314 HydrophobicContact CD1-CH2 4.3Å; I28-W314 HydrophobicContact CD1-CZ2 3.64Å; I28-W314 HydrophobicContact CG1-CH2 3.85Å; I28-W314 HydrophobicContact CG1-CZ2 3.53Å; N310-W314 PolarHBondContact O-N 3.06Å; N310-W314 PolarHBondContact OD1-NE1 2.79Å; W311-W314 PolarHBondContact O-N 3.15Å; W314-S316 PolarHBondContact O-N 3.3Å; W314-L317 HydrophobicContact CE3-CD2 3.91Å; W314-L317 HydrophobicContact CZ3-CD2 3.73Å; W314-L317 PolarHBondContact O-N 3.08Å; W314-V318 HydrophobicContact CE3-CG1 4.24Å; W314-V318 WeakPolarHBondContact O-CG2 3.46Å; W314-V318 PolarHBondContact O-N 3.05Å
315A97.7Very high96.1Very high6 Ų667 Ų675%0.0533%0.329CS..Hα-helixtrans-58.4-48.7176.200000111V20 W311 L312 L317 L319V20-A315 HydrophobicContact CG1-CB 4.34Å; V20-A315 HydrophobicContact CG2-CB 4.1Å; W311-A315 HydrophobicContact CD2-CB 4.35Å; W311-A315 HydrophobicContact CE3-CB 4.15Å; W311-A315 HydrophobicContact CH2-CB 4.09Å; W311-A315 HydrophobicContact CZ2-CB 4.27Å; W311-A315 HydrophobicContact CZ3-CB 4.01Å; W311-A315 VanDerWaalsContact O-CB 3.23Å; W311-A315 WeakPolarHBondContact O-CB 3.35Å; W311-A315 PolarHBondContact O-N 2.94Å; L312-A315 PolarHBondContact O-N 3.22Å; A315-L317 PolarHBondContact O-N 3.21Å; A315-L319 HydrophobicContact CB-CD1 3.99Å; A315-L319 WeakPolarHBondContact O-CB 3.43Å; A315-L319 WeakPolarHBondContact O-CD1 3.26Å; A315-L319 WeakPolarHBondContact O-CG 3.43Å; A315-L319 PolarHBondContact O-N 3.32Å
316S96Very high95.7Very high86 Ų8665.5 Ų65.560%0.60132%0.318SS*.Hα-helixtrans-60.8-43.3176-64.40000112.4L312 F313 W314L312-S316 WeakPolarHBondContact O-CB 3.38Å; L312-S316 PolarHBondContact O-N 2.85Å; L312-S316 PolarHBondContact O-OG 3.43Å; L312-S316 VanDerWaalsContact O-OG 3.08Å; F313-S316 PolarHBondContact O-N 3.47Å; W314-S316 PolarHBondContact O-N 3.3Å
317L97Very high95.3Very high89 Ų8961.6 Ų61.647%0.46631%0.309SS..Hα-helixtrans-66.2-40.9-177.4-176.762.1000112.8F313 W314 A315 P321F313-L317 HydrophobicContact CE1-CD2 4.18Å; F313-L317 HydrophobicContact CZ-CD2 4.1Å; F313-L317 WeakPolarHBondContact O-CB 3.32Å; F313-L317 PolarHBondContact O-N 3.48Å; W314-L317 HydrophobicContact CE3-CD2 3.91Å; W314-L317 HydrophobicContact CZ3-CD2 3.73Å; W314-L317 PolarHBondContact O-N 3.08Å; A315-L317 PolarHBondContact O-N 3.21Å; L317-P321 WeakPolarHBondContact O-CD 3.45Å; L317-P321 WeakPolarHBondContact O-CG 3.27Å
318V97.2Very high94.9Very high7 Ų765.2 Ų65.24%0.04233%0.334CS..Hα-helixtrans-96.4-30.5-173.2-53.80000113.5Y19 V20 A23 I27 W314 P321 F322Y19-V318 HydrophobicContact CD1-CG2 4.26Å; Y19-V318 HydrophobicContact CE1-CB 4.14Å; Y19-V318 HydrophobicContact CE1-CG2 3.86Å; V20-V318 HydrophobicContact CB-CG2 4.37Å; V20-V318 HydrophobicContact CG1-CG2 4.42Å; V20-V318 HydrophobicContact CG2-CG2 3.96Å; A23-V318 HydrophobicContact CB-CB 4.21Å; A23-V318 HydrophobicContact CB-CG1 4.17Å; A23-V318 HydrophobicContact CB-CG2 4.42Å; I27-V318 HydrophobicContact CD1-CG1 4.29Å; W314-V318 HydrophobicContact CE3-CG1 4.24Å; W314-V318 WeakPolarHBondContact O-CG2 3.46Å; W314-V318 PolarHBondContact O-N 3.05Å; V318-P321 WeakPolarHBondContact O-CG 3.46Å; V318-F322 VanDerWaalsContact O-CB 3.23Å; V318-F322 WeakPolarHBondContact O-CB 3.23Å; V318-F322 PolarHBondContact O-N 3.34Å
319L95.6Very high94.4Very high28 Ų2863.4 Ų63.415%0.14732%0.324CS..Hα-helixtrans-75-36.4-177.6-67.3172000112.4V16 Y19 V20 A315 F322 F323V16-L319 HydrophobicContact CG1-CD1 4.06Å; V16-L319 HydrophobicContact CG1-CD2 4.3Å; Y19-L319 HydrophobicContact CD1-CD2 3.73Å; Y19-L319 HydrophobicContact CE1-CD2 4.09Å; V20-L319 HydrophobicContact CG2-CD1 4.14Å; V20-L319 HydrophobicContact CG2-CD2 4.11Å; V20-L319 HydrophobicContact CG2-CG 4.01Å; A315-L319 HydrophobicContact CB-CD1 3.99Å; A315-L319 WeakPolarHBondContact O-CB 3.43Å; A315-L319 WeakPolarHBondContact O-CD1 3.26Å; A315-L319 WeakPolarHBondContact O-CG 3.43Å; A315-L319 PolarHBondContact O-N 3.32Å; L319-F322 WeakPolarHBondContact O-CB 3.38Å; L319-F322 PolarHBondContact O-N 3.29Å; L319-F323 HydrophobicContact CB-CD2 4.14Å; L319-F323 HydrophobicContact CB-CE2 3.96Å; L319-F323 HydrophobicContact CD2-CE2 4.46Å; L319-F323 WeakPolarHBondContact O-CD2 3.03Å; L319-F323 PolarHBondContact O-N 3.12Å
320Y93.1Very high93.9Very high155 Ų15565.8 Ų65.861%0.60833%0.333SS*.Hα-helixtrans-58.5-56.4178.7176.8-101.5000113.4F322 F323 Q324Y320-F322 PolarHBondContact O-N 3.44Å; Y320-F323 PolarHBondContact O-N 3.31Å; Y320-Q324 HydrophobicContact CE1-CG 4.12Å; Y320-Q324 HydrophobicContact CE2-CG 4.21Å; Y320-Q324 WeakPolarHBondContact O-CG 3.43Å; Y320-Q324 PolarHBondContact O-N 2.89Å; Y320-Q324 PolarHBondContact OH-NE2 3.36Å; Y320-Q324 VanDerWaalsContact OH-NE2 3.15Å
321P93.6Very high93.5Very high70 Ų7074.7 Ų74.746%0.45537%0.365SS..Hα-helixtrans-63.7-31.7177.525.5-34.2000112L317 V318 Q324 F325L317-P321 WeakPolarHBondContact O-CD 3.45Å; L317-P321 WeakPolarHBondContact O-CG 3.27Å; V318-P321 WeakPolarHBondContact O-CG 3.46Å; P321-Q324 PolarHBondContact O-N 3.29Å; P321-F325 WeakPolarHBondContact O-CB 3.42Å; P321-F325 PolarHBondContact O-N 3.4Å
322F92.2Very high93Very high29 Ų2976.3 Ų76.313%0.12738%0.383CS..Hα-helixtrans-62-46.1174.1177.1-107.7000112.8Y19 V318 L319 Y320 F325 L326 F341 F345Y19-F322 HydrophobicContact CD1-CG 4.46Å; Y19-F322 HydrophobicContact CD2-CD2 4.41Å; Y19-F322 HydrophobicContact CD2-CE2 4.35Å; Y19-F322 HydrophobicContact CE1-CB 3.78Å; Y19-F322 HydrophobicContact CE1-CD1 4.24Å; Y19-F322 HydrophobicContact CE1-CD2 4.09Å; Y19-F322 AromaticContact CE1-CG 3.77Å; Y19-F322 HydrophobicContact CE1-CG 3.77Å; Y19-F322 AromaticContact CE2-CD2 3.69Å; Y19-F322 HydrophobicContact CE2-CD2 3.69Å; Y19-F322 AromaticContact CE2-CE2 3.99Å; Y19-F322 HydrophobicContact CE2-CE2 3.99Å; Y19-F322 HydrophobicContact CE2-CG 4.23Å; Y19-F322 AromaticContact CZ-CD2 3.52Å; Y19-F322 AromaticContact CZ-CG 3.66Å; Y19-F322 WeakPolarHBondContact OH-CB 3.46Å; V318-F322 VanDerWaalsContact O-CB 3.23Å; V318-F322 WeakPolarHBondContact O-CB 3.23Å; V318-F322 PolarHBondContact O-N 3.34Å; L319-F322 WeakPolarHBondContact O-CB 3.38Å; L319-F322 PolarHBondContact O-N 3.29Å; Y320-F322 PolarHBondContact O-N 3.44Å; F322-F325 WeakPolarHBondContact O-CB 3.44Å; F322-F325 PolarHBondContact O-N 2.87Å; F322-L326 HydrophobicContact CD1-CD1 3.99Å; F322-L326 HydrophobicContact CE1-CD1 3.41Å; F322-L326 VanDerWaalsContact CE1-CD1 3.41Å; F322-L326 HydrophobicContact CE1-CG 4.18Å; F322-L326 HydrophobicContact CE2-CD1 4.42Å; F322-L326 HydrophobicContact CE2-CG 4.37Å; F322-L326 HydrophobicContact CZ-CD1 3.66Å; F322-L326 HydrophobicContact CZ-CD2 4.43Å; F322-L326 HydrophobicContact CZ-CG 4.06Å; F322-L326 WeakPolarHBondContact O-CG 3.47Å; F322-L326 PolarHBondContact O-N 3.25Å; F322-F341 AromaticContact CE2-CE2 3.74Å; F322-F341 HydrophobicContact CE2-CE2 3.74Å; F322-F341 AromaticContact CE2-CZ 3.65Å; F322-F341 HydrophobicContact CE2-CZ 3.65Å; F322-F341 HydrophobicContact CZ-CE2 4.31Å; F322-F341 AromaticContact CZ-CZ 3.74Å; F322-F341 HydrophobicContact CZ-CZ 3.74Å; F322-F345 HydrophobicContact CE1-CZ 4.45Å; F322-F345 AromaticContact CE2-CE2 3.61Å; F322-F345 HydrophobicContact CE2-CE2 3.61Å; F322-F345 AromaticContact CE2-CZ 3.35Å; F322-F345 HydrophobicContact CE2-CZ 3.35Å; F322-F345 HydrophobicContact CZ-CE1 4.14Å; F322-F345 AromaticContact CZ-CE2 3.87Å; F322-F345 HydrophobicContact CZ-CE2 3.87Å; F322-F345 AromaticContact CZ-CZ 3.28Å; F322-F345 HydrophobicContact CZ-CZ 3.28Å
323F91.6Very high92.4Very high112 Ų11275.3 Ų75.349%0.49139%0.393SS..Hα-helixtrans-65.6-39.3176.2-78.1-62.2000112L319 Y320 F325 L326 V327L319-F323 HydrophobicContact CB-CD2 4.14Å; L319-F323 HydrophobicContact CB-CE2 3.96Å; L319-F323 HydrophobicContact CD2-CE2 4.46Å; L319-F323 WeakPolarHBondContact O-CD2 3.03Å; L319-F323 PolarHBondContact O-N 3.12Å; Y320-F323 PolarHBondContact O-N 3.31Å; F323-F325 VanDerWaalsContact C-N 3.33Å; F323-F325 PolarHBondContact O-N 2.93Å; F323-L326 HydrophobicContact CD1-CD1 4.21Å; F323-L326 WeakPolarHBondContact O-CB 3.26Å; F323-L326 PolarHBondContact O-N 3.03Å; F323-V327 WeakPolarHBondContact O-CG2 3.34Å; F323-V327 PolarHBondContact O-N 2.84Å
324Q92.3Very high91.9Very high95 Ų9571.8 Ų71.844%0.44438%0.383SS..Hα-helixtrans-61.1-43.4173.9-68.6-66.5-6.400111.6Y320 P321 V327 S328Y320-Q324 HydrophobicContact CE1-CG 4.12Å; Y320-Q324 HydrophobicContact CE2-CG 4.21Å; Y320-Q324 WeakPolarHBondContact O-CG 3.43Å; Y320-Q324 PolarHBondContact O-N 2.89Å; Y320-Q324 PolarHBondContact OH-NE2 3.36Å; Y320-Q324 VanDerWaalsContact OH-NE2 3.15Å; P321-Q324 PolarHBondContact O-N 3.29Å; Q324-V327 PolarHBondContact O-N 3.45Å; Q324-S328 WeakPolarHBondContact O-CB 3.36Å; Q324-S328 PolarHBondContact O-N 3.43Å
325F89.6Confident91.3Very high113 Ų11375.3 Ų75.350%0.49641%0.411SS..Hα-helixtrans-60.2-46.3174.6174.6-96.4000111.7P321 F322 F323 V327 S328 M329 F341P321-F325 WeakPolarHBondContact O-CB 3.42Å; P321-F325 PolarHBondContact O-N 3.4Å; F322-F325 WeakPolarHBondContact O-CB 3.44Å; F322-F325 PolarHBondContact O-N 2.87Å; F323-F325 VanDerWaalsContact C-N 3.33Å; F323-F325 PolarHBondContact O-N 2.93Å; F325-V327 PolarHBondContact O-N 2.87Å; F325-S328 PolarHBondContact O-N 3.47Å; F325-M329 HydrophobicContact CE1-SD 4.26Å; F325-M329 WeakPolarHBondContact O-CB 3.5Å; F325-M329 PolarHBondContact O-N 3.06Å; F325-F341 HydrophobicContact CD1-CD2 4.46Å; F325-F341 HydrophobicContact CD1-CE2 4.22Å; F325-F341 AromaticContact CE1-CD2 3.65Å; F325-F341 HydrophobicContact CE1-CD2 3.65Å; F325-F341 AromaticContact CE1-CE2 3.85Å; F325-F341 HydrophobicContact CE1-CE2 3.85Å
326L89.1Confident90.8Very high35 Ų3581 Ų8118%0.18344%0.44CS..Hα-helixtrans-58.2-46.9176.2-80178.5000112.4F322 F323 M329 I330 F341F322-L326 HydrophobicContact CD1-CD1 3.99Å; F322-L326 HydrophobicContact CE1-CD1 3.41Å; F322-L326 VanDerWaalsContact CE1-CD1 3.41Å; F322-L326 HydrophobicContact CE1-CG 4.18Å; F322-L326 HydrophobicContact CE2-CD1 4.42Å; F322-L326 HydrophobicContact CE2-CG 4.37Å; F322-L326 HydrophobicContact CZ-CD1 3.66Å; F322-L326 HydrophobicContact CZ-CD2 4.43Å; F322-L326 HydrophobicContact CZ-CG 4.06Å; F322-L326 WeakPolarHBondContact O-CG 3.47Å; F322-L326 PolarHBondContact O-N 3.25Å; F323-L326 HydrophobicContact CD1-CD1 4.21Å; F323-L326 WeakPolarHBondContact O-CB 3.26Å; F323-L326 PolarHBondContact O-N 3.03Å; L326-M329 HydrophobicContact CD2-CE 3.82Å; L326-M329 PolarHBondContact O-N 3.11Å; L326-I330 VanDerWaalsContact O-CG1 3.29Å; L326-I330 WeakPolarHBondContact O-CG1 3.33Å; L326-I330 PolarHBondContact O-N 3.47Å; L326-F341 HydrophobicContact CD2-CD1 4.34Å; L326-F341 HydrophobicContact CD2-CE1 3.52Å; L326-F341 HydrophobicContact CD2-CE2 3.94Å; L326-F341 HydrophobicContact CD2-CZ 3.26Å; L326-F341 HydrophobicContact CG-CZ 4.2Å
327V90.5Very high90.3Very high55 Ų5579.6 Ų79.633%0.33343%0.428SS..Hα-helixtrans-63.3-43.8178.5171.10000110.8F323 Q324 F325 M329 I330 R331F323-V327 WeakPolarHBondContact O-CG2 3.34Å; F323-V327 PolarHBondContact O-N 2.84Å; Q324-V327 PolarHBondContact O-N 3.45Å; F325-V327 PolarHBondContact O-N 2.87Å; V327-M329 VanDerWaalsContact C-N 3.34Å; V327-M329 PolarHBondContact O-N 3.48Å; V327-I330 PolarHBondContact O-N 3.36Å; V327-R331 HydrophobicContact CG1-CG 4.44Å; V327-R331 WeakPolarHBondContact O-CB 3.43Å; V327-R331 VanDerWaalsContact O-CG 3.29Å; V327-R331 WeakPolarHBondContact O-CG 3.46Å; V327-R331 PolarHBondContact O-N 2.95Å
328S89.1Confident89.8Confident76 Ų7679.3 Ų79.353%0.53143%0.427SS..Hα-helixtrans-62.9-40.4176.9-171.60000112.1Q324 F325 R331 S332Q324-S328 WeakPolarHBondContact O-CB 3.36Å; Q324-S328 PolarHBondContact O-N 3.43Å; F325-S328 PolarHBondContact O-N 3.47Å; S328-R331 PolarHBondContact O-N 3.49Å; S328-S332 WeakPolarHBondContact O-CB 3.26Å; S328-S332 PolarHBondContact O-N 3.17Å
329M87.6Confident89.3Confident14 Ų1481.7 Ų81.77%0.06945%0.447CS..Hα-helixtrans-65.6-41.4177.8-175.9-173.867.400111.7F325 L326 V327 S332 L338 F341F325-M329 HydrophobicContact CE1-SD 4.26Å; F325-M329 WeakPolarHBondContact O-CB 3.5Å; F325-M329 PolarHBondContact O-N 3.06Å; L326-M329 HydrophobicContact CD2-CE 3.82Å; L326-M329 PolarHBondContact O-N 3.11Å; V327-M329 VanDerWaalsContact C-N 3.34Å; V327-M329 PolarHBondContact O-N 3.48Å; M329-S332 PolarHBondContact O-N 2.9Å; M329-S332 PolarHBondContact O-OG 3.33Å; M329-L338 HydrophobicContact CE-CD1 3.74Å; M329-L338 HydrophobicContact SD-CD1 4.5Å; M329-F341 HydrophobicContact CE-CB 4.22Å; M329-F341 HydrophobicContact CE-CD1 3.82Å; M329-F341 HydrophobicContact CE-CE1 4.31Å; M329-F341 HydrophobicContact CE-CG 3.95Å; M329-F341 HydrophobicContact SD-CB 3.58Å; M329-F341 VanDerWaalsContact SD-CB 3.58Å; M329-F341 HydrophobicContact SD-CD1 4.28Å; M329-F341 HydrophobicContact SD-CD2 4.26Å; M329-F341 HydrophobicContact SD-CG 3.79Å
330I87.6Confident88.8Confident126 Ų12683.2 Ų83.265%0.64646%0.46SS*.Hα-helixtrans-66.4-42.9176-67.4165.2000110.4L326 V327 S332 G333L326-I330 VanDerWaalsContact O-CG1 3.29Å; L326-I330 WeakPolarHBondContact O-CG1 3.33Å; L326-I330 PolarHBondContact O-N 3.47Å; V327-I330 PolarHBondContact O-N 3.36Å; I330-S332 VanDerWaalsContact C-N 3.34Å; I330-S332 PolarHBondContact O-N 2.88Å; I330-G333 PolarHBondContact O-N 3.02Å
331R90Very high88.5Confident207 Ų20777.6 Ų77.678%0.78144%0.439SS*.Hα-helixtrans-65.9-33178.6-74.5177.5-176.2173.53113.3V327 S328 G333V327-R331 HydrophobicContact CG1-CG 4.44Å; V327-R331 WeakPolarHBondContact O-CB 3.43Å; V327-R331 VanDerWaalsContact O-CG 3.29Å; V327-R331 WeakPolarHBondContact O-CG 3.46Å; V327-R331 PolarHBondContact O-N 2.95Å; S328-R331 PolarHBondContact O-N 3.49Å; R331-G333 PolarHBondContact O-N 3.3Å
332S88.7Confident88.2Confident73 Ų7379.1 Ų79.151%0.5144%0.442SS..Hα-helixtrans-70.8-19179.375.50000113S328 M329 I330 S334S328-S332 WeakPolarHBondContact O-CB 3.26Å; S328-S332 PolarHBondContact O-N 3.17Å; M329-S332 PolarHBondContact O-N 2.9Å; M329-S332 PolarHBondContact O-OG 3.33Å; I330-S332 VanDerWaalsContact C-N 3.34Å; I330-S332 PolarHBondContact O-N 2.88Å; S332-S334 PolarHBondContact O-N 3.34Å; S332-S334 VanDerWaalsContact O-N 3.07Å
333G84.7Confident88Confident65 Ų6582.9 Ų82.967%0.6746%0.463SS*.THydrogen-bonded Turntrans64.29.1179.600000114.6I330 R331 S335I330-G333 PolarHBondContact O-N 3.02Å; R331-G333 PolarHBondContact O-N 3.3Å; G333-S335 PolarHBondContact O-N 2.9Å
334S88.3Confident87.8Confident44 Ų4482 Ų8231%0.30847%0.466SS..  trans-77.1106-175172.70000111.3S332 L336 T337 L338S332-S334 PolarHBondContact O-N 3.34Å; S332-S334 VanDerWaalsContact O-N 3.07Å; S334-L336 PolarHBondContact O-N 3.07Å; S334-T337 VanDerWaalsContact CB-OG1 3.3Å; S334-T337 WeakPolarHBondContact CB-OG1 3.31Å; S334-T337 PolarHBondContact O-N 3.4Å; S334-T337 VanDerWaalsContact O-N 3.12Å; S334-T337 PolarHBondContact O-OG1 2.93Å; S334-T337 PolarHBondContact OG-N 3.26Å; S334-T337 PolarHBondContact OG-OG1 3.02Å; S334-L338 PolarHBondContact O-N 3.42Å; S334-L338 VanDerWaalsContact O-N 3.12Å
335S86.8Confident87.4Confident97 Ų9779.8 Ų79.868%0.67846%0.455SS*.Hα-helixtrans-57.2-34.317756.50000112.8G333 L338 A339G333-S335 PolarHBondContact O-N 2.9Å; S335-L338 PolarHBondContact O-N 2.8Å; S335-A339 WeakPolarHBondContact O-CB 3.45Å; S335-A339 PolarHBondContact O-N 3.38Å
336L86.5Confident87.3Confident124 Ų12480.4 Ų80.465%0.64946%0.458SS*.Hα-helixtrans-64.3-46.7175.9-178.162.3000111.4S334 L338 A339 S340S334-L336 PolarHBondContact O-N 3.07Å; L336-L338 VanDerWaalsContact C-N 3.33Å; L336-L338 PolarHBondContact O-N 3.46Å; L336-A339 PolarHBondContact O-N 3.12Å; L336-S340 PolarHBondContact O-N 3.29Å; L336-S340 PolarHBondContact O-OG 3.16Å; L336-S340 VanDerWaalsContact O-OG 3.11Å
337T85.1Confident87.2Confident57 Ų5783 Ų8335%0.3548%0.475SS..Hα-helixtrans-64.1-39.4178.859.30000112S334 F341S334-T337 VanDerWaalsContact CB-OG1 3.3Å; S334-T337 WeakPolarHBondContact CB-OG1 3.31Å; S334-T337 PolarHBondContact O-N 3.4Å; S334-T337 VanDerWaalsContact O-N 3.12Å; S334-T337 PolarHBondContact O-OG1 2.93Å; S334-T337 PolarHBondContact OG-N 3.26Å; S334-T337 PolarHBondContact OG-OG1 3.02Å; T337-F341 VanDerWaalsContact O-CB 3.28Å; T337-F341 WeakPolarHBondContact O-CB 3.49Å; T337-F341 PolarHBondContact O-N 3.43Å
338L85.8Confident86.9Confident84 Ų8482 Ų8244%0.4447%0.473SS..Hα-helixtrans-64.3-44.4175.5-177.263.7000111.6M329 S334 S335 L336 F341 I342M329-L338 HydrophobicContact CE-CD1 3.74Å; M329-L338 HydrophobicContact SD-CD1 4.5Å; S334-L338 PolarHBondContact O-N 3.42Å; S334-L338 VanDerWaalsContact O-N 3.12Å; S335-L338 PolarHBondContact O-N 2.8Å; L336-L338 VanDerWaalsContact C-N 3.33Å; L336-L338 PolarHBondContact O-N 3.46Å; L338-F341 PolarHBondContact O-N 3.13Å; L338-I342 HydrophobicContact CD1-CD1 4.25Å; L338-I342 HydrophobicContact CG-CD1 4.03Å; L338-I342 VanDerWaalsContact O-CG1 3.28Å; L338-I342 WeakPolarHBondContact O-CG1 3.46Å; L338-I342 PolarHBondContact O-N 3.48Å
339A87.3Confident86.7Confident56 Ų5679.6 Ų79.646%0.46346%0.456SS..Hα-helixtrans-63.5-45.4177.800000112S335 L336 F341 I342 L343S335-A339 WeakPolarHBondContact O-CB 3.45Å; S335-A339 PolarHBondContact O-N 3.38Å; L336-A339 PolarHBondContact O-N 3.12Å; A339-F341 VanDerWaalsContact C-N 3.31Å; A339-F341 PolarHBondContact O-N 3.44Å; A339-I342 PolarHBondContact O-N 3.3Å; A339-L343 WeakPolarHBondContact O-CB 3.41Å; A339-L343 PolarHBondContact O-N 2.99Å
340S86.4Confident86.6Confident61 Ų6184.1 Ų84.143%0.42748%0.478SS..Hα-helixtrans-61-40.9175.1-61.10000111.9L336 L343 V344L336-S340 PolarHBondContact O-N 3.29Å; L336-S340 PolarHBondContact O-OG 3.16Å; L336-S340 VanDerWaalsContact O-OG 3.11Å; S340-L343 PolarHBondContact O-N 3.03Å; S340-V344 WeakPolarHBondContact O-CG2 3.37Å; S340-V344 PolarHBondContact O-N 2.9Å
341F86.5Confident86.6Confident37 Ų3779.5 Ų79.516%0.16246%0.462CS..Hα-helixtrans-63.6-46.9177.8-179.1-99.8000112.6F322 F325 L326 M329 T337 L338 A339 L343 V344 F345F322-F341 AromaticContact CE2-CE2 3.74Å; F322-F341 HydrophobicContact CE2-CE2 3.74Å; F322-F341 AromaticContact CE2-CZ 3.65Å; F322-F341 HydrophobicContact CE2-CZ 3.65Å; F322-F341 HydrophobicContact CZ-CE2 4.31Å; F322-F341 AromaticContact CZ-CZ 3.74Å; F322-F341 HydrophobicContact CZ-CZ 3.74Å; F325-F341 HydrophobicContact CD1-CD2 4.46Å; F325-F341 HydrophobicContact CD1-CE2 4.22Å; F325-F341 AromaticContact CE1-CD2 3.65Å; F325-F341 HydrophobicContact CE1-CD2 3.65Å; F325-F341 AromaticContact CE1-CE2 3.85Å; F325-F341 HydrophobicContact CE1-CE2 3.85Å; L326-F341 HydrophobicContact CD2-CD1 4.34Å; L326-F341 HydrophobicContact CD2-CE1 3.52Å; L326-F341 HydrophobicContact CD2-CE2 3.94Å; L326-F341 HydrophobicContact CD2-CZ 3.26Å; L326-F341 HydrophobicContact CG-CZ 4.2Å; M329-F341 HydrophobicContact CE-CB 4.22Å; M329-F341 HydrophobicContact CE-CD1 3.82Å; M329-F341 HydrophobicContact CE-CE1 4.31Å; M329-F341 HydrophobicContact CE-CG 3.95Å; M329-F341 HydrophobicContact SD-CB 3.58Å; M329-F341 VanDerWaalsContact SD-CB 3.58Å; M329-F341 HydrophobicContact SD-CD1 4.28Å; M329-F341 HydrophobicContact SD-CD2 4.26Å; M329-F341 HydrophobicContact SD-CG 3.79Å; T337-F341 VanDerWaalsContact O-CB 3.28Å; T337-F341 WeakPolarHBondContact O-CB 3.49Å; T337-F341 PolarHBondContact O-N 3.43Å; L338-F341 PolarHBondContact O-N 3.13Å; A339-F341 VanDerWaalsContact C-N 3.31Å; A339-F341 PolarHBondContact O-N 3.44Å; F341-L343 VanDerWaalsContact C-N 3.28Å; F341-L343 PolarHBondContact O-N 3.29Å; F341-V344 PolarHBondContact O-N 2.92Å; F341-F345 HydrophobicContact CD1-CD2 4.12Å; F341-F345 HydrophobicContact CD2-CD2 4.03Å; F341-F345 HydrophobicContact CD2-CE2 4.04Å; F341-F345 AromaticContact CE1-CD2 3.64Å; F341-F345 HydrophobicContact CE1-CD2 3.64Å; F341-F345 AromaticContact CE1-CE2 3.82Å; F341-F345 HydrophobicContact CE1-CE2 3.82Å; F341-F345 HydrophobicContact CE1-CG 4.35Å; F341-F345 AromaticContact CE2-CD2 3.61Å; F341-F345 HydrophobicContact CE2-CD2 3.61Å; F341-F345 AromaticContact CE2-CE2 3.21Å; F341-F345 HydrophobicContact CE2-CE2 3.21Å; F341-F345 HydrophobicContact CE2-CZ 4.24Å; F341-F345 HydrophobicContact CG-CD2 4.3Å; F341-F345 AromaticContact CZ-CD2 3.37Å; F341-F345 HydrophobicContact CZ-CD2 3.37Å; F341-F345 AromaticContact CZ-CE2 3.05Å; F341-F345 HydrophobicContact CZ-CE2 3.05Å; F341-F345 HydrophobicContact CZ-CG 4.36Å; F341-F345 AromaticContact CZ-CZ 3.81Å; F341-F345 HydrophobicContact CZ-CZ 3.81Å; F341-F345 PolarHBondContact O-N 3.37Å
342I86.8Confident86.4Confident102 Ų10270.6 Ų70.652%0.52343%0.431SS..Hα-helixtrans-58.9-43.3176.1-69.3166.4000110.3L338 A339 F345 F346L338-I342 HydrophobicContact CD1-CD1 4.25Å; L338-I342 HydrophobicContact CG-CD1 4.03Å; L338-I342 VanDerWaalsContact O-CG1 3.28Å; L338-I342 WeakPolarHBondContact O-CG1 3.46Å; L338-I342 PolarHBondContact O-N 3.48Å; A339-I342 PolarHBondContact O-N 3.3Å; I342-F345 PolarHBondContact O-N 3.28Å; I342-F346 WeakPolarHBondContact O-CB 3.5Å; I342-F346 PolarHBondContact O-N 3.4Å
343L87.9Confident86.3Confident107 Ų10775.3 Ų75.356%0.5644%0.437SS*.Hα-helixtrans-61.1-47.1177.4179.663.1000111.9A339 S340 F341 F345 F346 V347A339-L343 WeakPolarHBondContact O-CB 3.41Å; A339-L343 PolarHBondContact O-N 2.99Å; S340-L343 PolarHBondContact O-N 3.03Å; F341-L343 VanDerWaalsContact C-N 3.28Å; F341-L343 PolarHBondContact O-N 3.29Å; L343-F345 VanDerWaalsContact C-N 3.35Å; L343-F345 PolarHBondContact O-N 2.91Å; L343-F346 PolarHBondContact O-N 2.95Å; L343-V347 HydrophobicContact CD1-CG2 4.3Å; L343-V347 WeakPolarHBondContact O-CG2 3.48Å; L343-V347 PolarHBondContact O-N 2.98Å
344V86.8Confident86.5Confident94 Ų9478.2 Ų78.257%0.5743%0.428SS*.Hα-helixtrans-60.9-44.41781700000111S340 F341 F346 V347 A348S340-V344 WeakPolarHBondContact O-CG2 3.37Å; S340-V344 PolarHBondContact O-N 2.9Å; F341-V344 PolarHBondContact O-N 2.92Å; V344-F346 VanDerWaalsContact C-N 3.35Å; V344-F346 PolarHBondContact O-N 3.26Å; V344-V347 PolarHBondContact O-N 3.37Å; V344-A348 WeakPolarHBondContact O-CB 3.44Å; V344-A348 PolarHBondContact O-N 3.49Å
345F85.4Confident86.5Confident49 Ų4977.6 Ų77.622%0.21542%0.421CS..Hα-helixtrans-63.8-39.9177-97.5-93.9000112.8Y19 F322 F341 I342 L343 A348 S349Y19-F345 AromaticContact CD2-CZ 3.99Å; Y19-F345 HydrophobicContact CD2-CZ 3.99Å; F322-F345 HydrophobicContact CE1-CZ 4.45Å; F322-F345 AromaticContact CE2-CE2 3.61Å; F322-F345 HydrophobicContact CE2-CE2 3.61Å; F322-F345 AromaticContact CE2-CZ 3.35Å; F322-F345 HydrophobicContact CE2-CZ 3.35Å; F322-F345 HydrophobicContact CZ-CE1 4.14Å; F322-F345 AromaticContact CZ-CE2 3.87Å; F322-F345 HydrophobicContact CZ-CE2 3.87Å; F322-F345 AromaticContact CZ-CZ 3.28Å; F322-F345 HydrophobicContact CZ-CZ 3.28Å; F341-F345 HydrophobicContact CD1-CD2 4.12Å; F341-F345 HydrophobicContact CD2-CD2 4.03Å; F341-F345 HydrophobicContact CD2-CE2 4.04Å; F341-F345 AromaticContact CE1-CD2 3.64Å; F341-F345 HydrophobicContact CE1-CD2 3.64Å; F341-F345 AromaticContact CE1-CE2 3.82Å; F341-F345 HydrophobicContact CE1-CE2 3.82Å; F341-F345 HydrophobicContact CE1-CG 4.35Å; F341-F345 AromaticContact CE2-CD2 3.61Å; F341-F345 HydrophobicContact CE2-CD2 3.61Å; F341-F345 AromaticContact CE2-CE2 3.21Å; F341-F345 HydrophobicContact CE2-CE2 3.21Å; F341-F345 HydrophobicContact CE2-CZ 4.24Å; F341-F345 HydrophobicContact CG-CD2 4.3Å; F341-F345 AromaticContact CZ-CD2 3.37Å; F341-F345 HydrophobicContact CZ-CD2 3.37Å; F341-F345 AromaticContact CZ-CE2 3.05Å; F341-F345 HydrophobicContact CZ-CE2 3.05Å; F341-F345 HydrophobicContact CZ-CG 4.36Å; F341-F345 AromaticContact CZ-CZ 3.81Å; F341-F345 HydrophobicContact CZ-CZ 3.81Å; F341-F345 PolarHBondContact O-N 3.37Å; I342-F345 PolarHBondContact O-N 3.28Å; L343-F345 VanDerWaalsContact C-N 3.35Å; L343-F345 PolarHBondContact O-N 2.91Å; F345-A348 PolarHBondContact O-N 3.27Å; F345-S349 VanDerWaalsContact O-CB 3.26Å; F345-S349 WeakPolarHBondContact O-CB 3.26Å; F345-S349 PolarHBondContact O-N 3.46Å
346F86Confident86.4Confident126 Ų12674.3 Ų74.355%0.55340%0.395SS*.Hα-helixtrans-62.5-48.4175.6-179.5-102.5000111.3I342 L343 V344 A348 S349 M350I342-F346 WeakPolarHBondContact O-CB 3.5Å; I342-F346 PolarHBondContact O-N 3.4Å; L343-F346 PolarHBondContact O-N 2.95Å; V344-F346 VanDerWaalsContact C-N 3.35Å; V344-F346 PolarHBondContact O-N 3.26Å; F346-A348 PolarHBondContact O-N 2.88Å; F346-S349 PolarHBondContact O-N 3.37Å; F346-M350 HydrophobicContact CD1-CG 4.49Å; F346-M350 HydrophobicContact CD1-SD 3.87Å; F346-M350 HydrophobicContact CE1-CG 4.17Å; F346-M350 HydrophobicContact CE1-SD 3.23Å; F346-M350 WeakPolarHBondContact CE1-SD 3.23Å; F346-M350 HydrophobicContact CE2-SD 4.47Å; F346-M350 HydrophobicContact CZ-CG 4.2Å; F346-M350 HydrophobicContact CZ-SD 3.58Å; F346-M350 VanDerWaalsContact CZ-SD 3.58Å; F346-M350 WeakPolarHBondContact O-CG 3.41Å; F346-M350 PolarHBondContact O-N 3.3Å
347V87.4Confident86.3Confident88 Ų8868.6 Ų68.653%0.53337%0.367SS..Hα-helixtrans-61.8-43.9176.8172.40000111.4L343 V344 S349 M350 G351L343-V347 HydrophobicContact CD1-CG2 4.3Å; L343-V347 WeakPolarHBondContact O-CG2 3.48Å; L343-V347 PolarHBondContact O-N 2.98Å; V344-V347 PolarHBondContact O-N 3.37Å; V347-S349 PolarHBondContact O-N 2.97Å; V347-M350 PolarHBondContact O-N 2.92Å; V347-G351 PolarHBondContact O-N 2.94Å
348A85Confident86.4Confident36 Ų3668 Ų6830%0.29836%0.363SS..Hα-helixtrans-61.4-44.5176.800000111.7I22 V344 F345 F346 G351 V352I22-A348 HydrophobicContact CD1-CB 4.22Å; V344-A348 WeakPolarHBondContact O-CB 3.44Å; V344-A348 PolarHBondContact O-N 3.49Å; F345-A348 PolarHBondContact O-N 3.27Å; F346-A348 PolarHBondContact O-N 2.88Å; A348-G351 PolarHBondContact O-N 3.48Å; A348-G351 VanDerWaalsContact O-N 3.17Å; A348-V352 PolarHBondContact O-N 3.32Å
349S83.9Confident86.2Confident25 Ų2565.1 Ų65.118%0.17535%0.348CS..Hα-helixtrans-61.3-44176.2-178.60000112.1F345 F346 V347 G351 V352 R353F345-S349 VanDerWaalsContact O-CB 3.26Å; F345-S349 WeakPolarHBondContact O-CB 3.26Å; F345-S349 PolarHBondContact O-N 3.46Å; F346-S349 PolarHBondContact O-N 3.37Å; V347-S349 PolarHBondContact O-N 2.97Å; S349-G351 VanDerWaalsContact C-N 3.32Å; S349-G351 PolarHBondContact O-N 3.38Å; S349-V352 PolarHBondContact O-N 2.86Å; S349-R353 WeakPolarHBondContact O-CG 3.36Å; S349-R353 PolarHBondContact O-N 2.92Å
350M86.6Confident86.1Confident108 Ų10866.2 Ų66.253%0.53234%0.344SS..Hα-helixtrans-60.3-42.3172.6-72.6-175.269.900111.9F346 V347 R353 W354F346-M350 HydrophobicContact CD1-CG 4.49Å; F346-M350 HydrophobicContact CD1-SD 3.87Å; F346-M350 HydrophobicContact CE1-CG 4.17Å; F346-M350 HydrophobicContact CE1-SD 3.23Å; F346-M350 WeakPolarHBondContact CE1-SD 3.23Å; F346-M350 HydrophobicContact CE2-SD 4.47Å; F346-M350 HydrophobicContact CZ-CG 4.2Å; F346-M350 HydrophobicContact CZ-SD 3.58Å; F346-M350 VanDerWaalsContact CZ-SD 3.58Å; F346-M350 WeakPolarHBondContact O-CG 3.41Å; F346-M350 PolarHBondContact O-N 3.3Å; V347-M350 PolarHBondContact O-N 2.92Å; M350-R353 PolarHBondContact O-N 3.4Å; M350-W354 WeakPolarHBondContact O-CB 3.33Å; M350-W354 PolarHBondContact O-N 2.96Å
351G86.8Confident85.7Confident30 Ų3065.5 Ų65.531%0.30934%0.335SS..Hα-helixtrans-58-47.4175.700000112.5V347 A348 S349 W354 M355V347-G351 PolarHBondContact O-N 2.94Å; A348-G351 PolarHBondContact O-N 3.48Å; A348-G351 VanDerWaalsContact O-N 3.17Å; S349-G351 VanDerWaalsContact C-N 3.32Å; S349-G351 PolarHBondContact O-N 3.38Å; G351-W354 WeakPolarHBondContact O-CB 3.36Å; G351-W354 PolarHBondContact O-N 3.46Å; G351-M355 VanDerWaalsContact O-CG 3.32Å; G351-M355 WeakPolarHBondContact O-CG 3.29Å; G351-M355 PolarHBondContact O-N 2.96Å
352V85.3Confident85Confident20 Ų2070.9 Ų70.912%0.12137%0.365CS..Hα-helixtrans-64-43.8177178.50000111.6C18 I22 A348 S349 W354 M355 I356C18-V352 HydrophobicContact CB-CG2 4.03Å; I22-V352 HydrophobicContact CD1-CG2 3.46Å; I22-V352 VanDerWaalsContact CD1-CG2 3.46Å; I22-V352 HydrophobicContact CG1-CG2 4.25Å; A348-V352 PolarHBondContact O-N 3.32Å; S349-V352 PolarHBondContact O-N 2.86Å; V352-W354 VanDerWaalsContact C-N 3.26Å; V352-W354 PolarHBondContact O-N 2.94Å; V352-M355 WeakPolarHBondContact O-CB 3.42Å; V352-M355 PolarHBondContact O-N 3.32Å; V352-M355 VanDerWaalsContact O-N 3.08Å; V352-I356 HydrophobicContact CG1-CD1 4.01Å; V352-I356 HydrophobicContact CG1-CG1 4.36Å; V352-I356 WeakPolarHBondContact O-CG1 3.28Å; V352-I356 PolarHBondContact O-N 2.92Å
353R86.7Confident84.3Confident171 Ų17172.1 Ų72.165%0.64537%0.367SS*.Hα-helixtrans-59.8-39.8176.2-72.6-177.7-178.5-162.10.5111.6S349 M350 I356 G357S349-R353 WeakPolarHBondContact O-CG 3.36Å; S349-R353 PolarHBondContact O-N 2.92Å; M350-R353 PolarHBondContact O-N 3.4Å; R353-I356 PolarHBondContact O-N 3.01Å; R353-G357 PolarHBondContact O-N 3.38Å
354W89.7Confident83.1Confident126 Ų12668.4 Ų68.448%0.47735%0.354SS..Hα-helixtrans-63.6-42.2173.2172.584.2000112.1V129 M350 G351 V352 G357 V358V129-W354 HydrophobicContact CG1-CZ3 4.38Å; V129-W354 HydrophobicContact CG2-CH2 4.23Å; M350-W354 WeakPolarHBondContact O-CB 3.33Å; M350-W354 PolarHBondContact O-N 2.96Å; G351-W354 WeakPolarHBondContact O-CB 3.36Å; G351-W354 PolarHBondContact O-N 3.46Å; V352-W354 VanDerWaalsContact C-N 3.26Å; V352-W354 PolarHBondContact O-N 2.94Å; W354-G357 CarbonylContact O-C 3.53Å; W354-G357 WeakPolarHBondContact O-CA 3.29Å; W354-G357 PolarHBondContact O-N 3.4Å; W354-G357 VanDerWaalsContact O-N 3.1Å; W354-V358 HydrophobicContact CZ2-CG2 4.25Å; W354-V358 PolarHBondContact O-N 3.44Å; W354-V358 VanDerWaalsContact O-N 3.08Å
355M87.3Confident82.2Confident32 Ų3265 Ų6516%0.15833%0.334CS..Hα-helixtrans-61.5-42.7175.7-68.3173.268.400112.2F21 V129 P130 I132 G351 V352 G357 V358F21-M355 HydrophobicContact CE1-CE 3.94Å; V129-M355 HydrophobicContact CG1-CE 4.04Å; V129-M355 HydrophobicContact CG1-CG 4.13Å; P130-M355 WeakPolarHBondContact O-CE 3.33Å; I132-M355 HydrophobicContact CG1-CE 4.4Å; G351-M355 VanDerWaalsContact O-CG 3.32Å; G351-M355 WeakPolarHBondContact O-CG 3.29Å; G351-M355 PolarHBondContact O-N 2.96Å; V352-M355 WeakPolarHBondContact O-CB 3.42Å; V352-M355 PolarHBondContact O-N 3.32Å; V352-M355 VanDerWaalsContact O-N 3.08Å; M355-G357 VanDerWaalsContact C-N 3.32Å; M355-V358 WeakPolarHBondContact O-CB 3.32Å; M355-V358 PolarHBondContact O-N 3.36Å
356I85.8Confident81.4Confident27 Ų2765.8 Ų65.814%0.13835%0.351CS..Hα-helixtrans-62.5-41.9171.9-63.9169.2000109.8L240 V352 R353 V358 T359 E360L240-I356 HydrophobicContact CB-CG2 4.46Å; L240-I356 HydrophobicContact CD2-CG1 4.06Å; V352-I356 HydrophobicContact CG1-CD1 4.01Å; V352-I356 HydrophobicContact CG1-CG1 4.36Å; V352-I356 WeakPolarHBondContact O-CG1 3.28Å; V352-I356 PolarHBondContact O-N 2.92Å; R353-I356 PolarHBondContact O-N 3.01Å; I356-V358 PolarHBondContact O-N 3.41Å; I356-V358 VanDerWaalsContact O-N 3.09Å; I356-T359 WeakPolarHBondContact O-CA 3.45Å; I356-T359 PolarHBondContact O-N 2.94Å; I356-T359 PolarHBondContact O-OG1 3.07Å; I356-E360 PolarHBondContact O-N 2.95Å
357G84.8Confident80.4Confident5 Ų560.7 Ų60.75%0.05233%0.328CS..Hα-helixtrans-60.5-21.2175.700000114.5R353 W354 M355 T359 K363R353-G357 PolarHBondContact O-N 3.38Å; W354-G357 CarbonylContact O-C 3.53Å; W354-G357 WeakPolarHBondContact O-CA 3.29Å; W354-G357 PolarHBondContact O-N 3.4Å; W354-G357 VanDerWaalsContact O-N 3.1Å; M355-G357 VanDerWaalsContact C-N 3.32Å; G357-T359 VanDerWaalsContact C-N 3.31Å; G357-K363 VanDerWaalsContact O-CD 3.26Å; G357-K363 WeakPolarHBondContact O-CD 3.49Å; G357-K363 WeakPolarHBondContact O-CG 3.28Å
358V85.7Confident78.9Confident44 Ų4458.2 Ų58.227%0.26732%0.32SS..Hα-helixtrans-74.8-23.7172.4174.70000111.5L126 V129 W354 M355 I356L126-V358 HydrophobicContact CD2-CG1 3.35Å; V129-V358 HydrophobicContact CG2-CG1 4.28Å; W354-V358 HydrophobicContact CZ2-CG2 4.25Å; W354-V358 PolarHBondContact O-N 3.44Å; W354-V358 VanDerWaalsContact O-N 3.08Å; M355-V358 WeakPolarHBondContact O-CB 3.32Å; M355-V358 PolarHBondContact O-N 3.36Å; I356-V358 PolarHBondContact O-N 3.41Å; I356-V358 VanDerWaalsContact O-N 3.09Å
359T82.1Confident77.3Confident23 Ų2360.4 Ų60.414%0.14133%0.327CS..Hα-helixtrans-82.2-17.6175.763.30000112.9E99 F102 R179 L240 I356 G357E99-T359 WeakPolarHBondContact CG-O 3.48Å; E99-T359 PolarHBondContact OE1-OG1 3.46Å; F102-T359 HydrophobicContact CE1-CG2 4.03Å; F102-T359 HydrophobicContact CZ-CG2 4.09Å; R179-T359 PolarHBondContact NH1-O 3.3Å; R179-T359 PolarHBondContact NH2-O 3.34Å; L240-T359 HydrophobicContact CD2-CG2 4.35Å; I356-T359 WeakPolarHBondContact O-CA 3.45Å; I356-T359 PolarHBondContact O-N 2.94Å; I356-T359 PolarHBondContact O-OG1 3.07Å; G357-T359 VanDerWaalsContact C-N 3.31Å
360E86.5Confident75.5Confident80 Ų8063.4 Ų63.437%0.37435%0.348SS..SBendtrans-61152.2-179-68.8172-178.800114.1R179 I356R179-E360 PolarHBondContact NH1-O 3.49Å; I356-E360 PolarHBondContact O-N 2.95Å
361I76.2Confident73.3Confident46 Ų4663.8 Ų63.824%0.23635%0.352CS..G310 helixtrans-68.9-38.4-176-57-176.2000111.6R179 T181 K363 G364R179-I361 HydrophobicContact CB-CG2 4.03Å; T181-I361 HydrophobicContact CG2-CG2 3.48Å; T181-I361 VanDerWaalsContact CG2-CG2 3.48Å; I361-K363 PolarHBondContact O-N 3.49Å; I361-G364 PolarHBondContact O-N 3.4Å
362D73Confident70.8Confident149 Ų14964.8 Ų64.880%0.79735%0.354SS*.G310 helixtrans-68.9-18.1-175.1-65.9-28.4000113.4G364D362-G364 VanDerWaalsContact C-N 3.27Å
363K71.9Confident68.3Low129 Ų12971.6 Ų71.656%0.56138%0.382SS*.G310 helixtrans-85.93.4172.3-58.1-138.6-175-178.30113.6G357 I361G357-K363 VanDerWaalsContact O-CD 3.26Å; G357-K363 WeakPolarHBondContact O-CD 3.49Å; G357-K363 WeakPolarHBondContact O-CG 3.28Å; I361-K363 PolarHBondContact O-N 3.49Å
364G61.5Low65.7Low28 Ų2870.5 Ų70.529%0.28939%0.385SS..SBendtrans-63.7161.417300000113I361 D362I361-G364 PolarHBondContact O-N 3.4Å; D362-G364 VanDerWaalsContact C-N 3.27Å
365S69.7Low63.1Low22 Ų2273.2 Ų73.215%0.15440%0.4CS..PPolyproline II helixtrans-60.5149.6173.937.50000112.6R146 T178 K184 Y367R146-S365 PolarHBondContact NH1-OG 3.12Å; T178-S365 WeakPolarHBondContact CB-OG 3.33Å; T178-S365 PolarHBondContact OG1-O 3.23Å; T178-S365 PolarHBondContact OG1-OG 2.74Å; K184-S365 VanDerWaalsContact CE-O 3.25Å; K184-S365 WeakPolarHBondContact CE-O 3.3Å; K184-S365 PolarHBondContact NZ-O 3.45Å; S365-Y367 PolarHBondContact O-N 3.48Å
366A66.7Low60.5Low67 Ų6779.6 Ų79.655%0.55443%0.429SS*.PPolyproline II helixtrans-61.9119.2159.400000109.4N369A366-N369 HydrophobicContact CB-CB 3.64Å
367Y65.8Low58.1Low18 Ų1885 Ų857%0.07146%0.459CS..SBendtrans-84131.9173.7-169.3-87.4000108.8T178 K184 I187 S188 L204 L205 S365 N369T178-Y367 HydrophobicContact CG2-CD2 3.67Å; T178-Y367 HydrophobicContact CG2-CG 4.35Å; K184-Y367 HydrophobicContact CB-CG 4.44Å; I187-Y367 HydrophobicContact CB-CD1 4.36Å; I187-Y367 HydrophobicContact CG2-CD1 3.98Å; S188-Y367 PolarHBondContact OG-OH 3.11Å; L204-Y367 HydrophobicContact CB-CE2 4.24Å; L204-Y367 HydrophobicContact CD1-CD2 3.97Å; L204-Y367 HydrophobicContact CD1-CE2 4.03Å; L205-Y367 PolarHBondContact O-OH 3.28Å; S365-Y367 PolarHBondContact O-N 3.48Å; Y367-N369 PolarHBondContact O-N 3.12Å
368G56.3Low55.6Low36 Ų3695.2 Ų95.237%0.37151%0.512SS..SBendtrans68.38.6174.800000117S370G368-S370 PolarHBondContact O-N 3.29Å
369N52Low54.1Low82 Ų8297.8 Ų97.844%0.43952%0.524SS..THydrogen-bonded Turntrans-93.513.2-171.2-135.428000114.6A366 Y367 D371 S372A366-N369 HydrophobicContact CB-CB 3.64Å; Y367-N369 PolarHBondContact O-N 3.12Å; N369-D371 VanDerWaalsContact C-N 3.32Å; N369-S372 PolarHBondContact O-OG 3.26Å; N369-S372 PolarHBondContact OD1-OG 2.92Å
370S44.5Very low52.6Low89 Ų89101.7 Ų101.762%0.62254%0.544SS*.THydrogen-bonded Turntrans-73.8-26.2173.944.80000112.3G368G368-S370 PolarHBondContact O-N 3.29Å
371D41.1Very low50.7Low115 Ų115102.9 Ų102.962%0.61555%0.554SS**THydrogen-bonded Turntrans-97.3-14.8-170.6-58.82.7000112.4N369N369-D371 VanDerWaalsContact C-N 3.32Å
372S33.7Very low49.2Very low52 Ų52106.3 Ų106.336%0.36457%0.572SS.*THydrogen-bonded Turntrans-81.1-25.1176.853.80000113.3N369 Q374N369-S372 PolarHBondContact O-OG 3.26Å; N369-S372 PolarHBondContact OD1-OG 2.92Å; S372-Q374 VanDerWaalsContact C-N 3.3Å; S372-Q374 PolarHBondContact O-N 3.17Å
373K32.8Very low47.7Very low163 Ų163103.6 Ų103.671%0.70956%0.558SS**SBendtrans-73.7-20.6174.9-80.7-169.2173.3-1700113.6
374Q33.1Very low46.1Very low148 Ų148101.9 Ų101.969%0.69256%0.558SS**SBendtrans-85.3-19179.8-130.9166.3-11.100112.6S372S372-Q374 VanDerWaalsContact C-N 3.3Å; S372-Q374 PolarHBondContact O-N 3.17Å
375K34.2Very low45Very low182 Ų182107.2 Ų107.279%0.79158%0.578SS**THydrogen-bonded Turntrans-93.12.6178.2-76.9-171.8174.1-174.60115.1
376Q32.7Very low43.1Very low167 Ų167113.8 Ų113.878%0.7861%0.61SS**THydrogen-bonded Turntrans-102.71.5175.5-94.4-178.9-18.700113.4
377N35.2Very low41.2Very low141 Ų141117.7 Ų117.775%0.75462%0.615SS**  trans-119.513.7-178-82.89000114
378D32.7Very low38.9Very low219 Ų219126.7 Ų126.7100%1.17166%0.664SS**  trans-114.40171.3-71.7-12.9000110.7

Retrieved 378 of 378 residues in 2942.8 ms (Link to these results)

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