A0A3Q0KTK1_SCHMA Loading...

Lipoma hmgic fusion partner-like protein 4

AlphaFold DB , UniProt , Accession A0A3Q0KTK1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 403 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
1M68.6Low84.7Confident104 Ų10466.4 Ų66.451%0.51233%0.325SS..  0-52.10-66.6-49.1-171.700112.3Y3 I4 W5 I243 I247M1-Y3 PolarHBondContact O-N 3.2Å; M1-I4 PolarHBondContact O-N 3.38Å; M1-I4 HydrophobicContact SD-CD1 4.31Å; M1-W5 PolarHBondContact O-N 3.29Å; M1-I243 HydrophobicContact CE-CB 4.13Å; M1-I243 HydrophobicContact CE-CG2 3.3Å; M1-I243 HydrophobicContact SD-CD1 4.46Å; M1-I243 HydrophobicContact SD-CG2 4.1Å; M1-I247 HydrophobicContact CE-CD1 3.97Å
2S73.9Confident85.6Confident62 Ų6260.8 Ų60.843%0.43430%0.298SS..Hα-helixtrans-57.3-40.3-177.6-43.60000114.6I4 W5 L6S2-I4 PolarHBondContact O-N 3.08Å; S2-W5 PolarHBondContact O-N 3.35Å; S2-L6 WeakPolarHBondContact O-CB 3.35Å; S2-L6 PolarHBondContact O-N 3.41Å
3Y80.8Confident86.4Confident191 Ų19163.5 Ų63.575%0.74930%0.303SS*.Hα-helixtrans-62.4-38.8178.6-65.6-71.5000114M1 W5 L6 I7M1-Y3 PolarHBondContact O-N 3.2Å; Y3-W5 VanDerWaalsContact C-N 3.32Å; Y3-L6 PolarHBondContact O-N 2.92Å; Y3-I7 VanDerWaalsContact O-CG1 3.24Å; Y3-I7 WeakPolarHBondContact O-CG1 3.18Å; Y3-I7 PolarHBondContact O-N 3.15Å
4I81.6Confident87.1Confident27 Ų2764.3 Ų64.314%0.13831%0.309CS..Hα-helixtrans-68-40.9-179-64.3146.3000110.1M1 S2 I7 W8 F235 C239 I243M1-I4 PolarHBondContact O-N 3.38Å; M1-I4 HydrophobicContact SD-CD1 4.31Å; S2-I4 PolarHBondContact O-N 3.08Å; I4-I7 PolarHBondContact O-N 3.36Å; I4-W8 WeakPolarHBondContact O-CB 3.2Å; I4-W8 PolarHBondContact O-N 3.17Å; I4-F235 HydrophobicContact CG2-CE1 3.92Å; I4-F235 HydrophobicContact CG2-CZ 4.34Å; I4-C239 HydrophobicContact CG2-CB 4.07Å; I4-I243 HydrophobicContact CD1-CD1 3.09Å; I4-I243 HydrophobicContact CD1-CG1 4.5Å; I4-I243 HydrophobicContact CG1-CD1 4.29Å
5W82.7Confident87.8Confident38 Ų3860 Ų6014%0.14429%0.288CS..Hα-helixtrans-65.1-42.6176.9-168.687.7000111.2M1 S2 Y3 W8 C9 L150M1-W5 PolarHBondContact O-N 3.29Å; S2-W5 PolarHBondContact O-N 3.35Å; Y3-W5 VanDerWaalsContact C-N 3.32Å; W5-W8 PolarHBondContact O-N 3.5Å; W5-C9 HydrophobicContact CE3-CB 4.42Å; W5-C9 HydrophobicContact CH2-CB 3.68Å; W5-C9 HydrophobicContact CZ2-CB 4.37Å; W5-C9 HydrophobicContact CZ3-CB 3.74Å; W5-C9 WeakPolarHBondContact O-CB 3.26Å; W5-C9 PolarHBondContact O-N 2.59Å; W5-L150 HydrophobicContact CH2-CB 4.4Å; W5-L150 WeakPolarHBondContact CH2-O 3.4Å; W5-L150 HydrophobicContact CZ2-CB 3.92Å; W5-L150 HydrophobicContact CZ2-CD2 4.27Å; W5-L150 WeakPolarHBondContact CZ2-O 3.27Å
6L86.1Confident88.4Confident89 Ų8956.3 Ų56.347%0.46627%0.27SS..Hα-helixtrans-60.3-46173.2-177.6156.6000111.7S2 Y3 W8 C9 I10S2-L6 WeakPolarHBondContact O-CB 3.35Å; S2-L6 PolarHBondContact O-N 3.41Å; Y3-L6 PolarHBondContact O-N 2.92Å; L6-W8 VanDerWaalsContact C-N 3.31Å; L6-W8 PolarHBondContact O-N 2.67Å; L6-C9 PolarHBondContact O-N 2.99Å; L6-I10 HydrophobicContact CD2-CD1 3.4Å; L6-I10 VanDerWaalsContact CD2-CD1 3.4Å; L6-I10 HydrophobicContact CD2-CG1 4.18Å; L6-I10 HydrophobicContact CG-CD1 4.37Å; L6-I10 WeakPolarHBondContact O-CG1 3.47Å; L6-I10 PolarHBondContact O-N 3.39Å
7I89.6Confident88.8Confident80 Ų8058.4 Ų58.441%0.4128%0.282SS..Hα-helixtrans-59.1-44.6175.7-70.1163000110.4Y3 I4 I10 L11 F235Y3-I7 VanDerWaalsContact O-CG1 3.24Å; Y3-I7 WeakPolarHBondContact O-CG1 3.18Å; Y3-I7 PolarHBondContact O-N 3.15Å; I4-I7 PolarHBondContact O-N 3.36Å; I7-I10 PolarHBondContact O-N 3.41Å; I7-L11 HydrophobicContact CG2-CD1 3.92Å; I7-L11 HydrophobicContact CG2-CG 4.4Å; I7-L11 WeakPolarHBondContact O-CB 3.22Å; I7-L11 VanDerWaalsContact O-CG 3.29Å; I7-L11 WeakPolarHBondContact O-CG 3.45Å; I7-L11 PolarHBondContact O-N 2.92Å; I7-F235 HydrophobicContact CB-CZ 4.38Å; I7-F235 HydrophobicContact CG2-CE1 4.12Å; I7-F235 HydrophobicContact CG2-CE2 4.38Å; I7-F235 HydrophobicContact CG2-CZ 3.72Å
8W90.2Very high89.2Confident8 Ų857.9 Ų57.93%0.0328%0.281CS..Hα-helixtrans-63.4-43.3178.7-171.226.4000112.1I4 W5 L6 I10 L11 T12 L150 H166 C169 Q170 L173 S232 F235 P236I4-W8 WeakPolarHBondContact O-CB 3.2Å; I4-W8 PolarHBondContact O-N 3.17Å; W5-W8 PolarHBondContact O-N 3.5Å; L6-W8 VanDerWaalsContact C-N 3.31Å; L6-W8 PolarHBondContact O-N 2.67Å; W8-I10 PolarHBondContact O-N 3.39Å; W8-L11 WeakPolarHBondContact O-CB 3.16Å; W8-L11 PolarHBondContact O-N 3.27Å; W8-T12 WeakPolarHBondContact O-CG2 3.4Å; W8-T12 PolarHBondContact O-N 3.49Å; W8-T12 PolarHBondContact O-OG1 3.05Å; W8-L150 HydrophobicContact CD2-CD2 4.29Å; W8-L150 HydrophobicContact CE3-CD2 3.83Å; W8-L150 HydrophobicContact CH2-CD2 3.89Å; W8-L150 HydrophobicContact CZ2-CD2 4.35Å; W8-L150 HydrophobicContact CZ3-CD2 3.57Å; W8-H166 AromaticContact CH2-CD2 3.15Å; W8-H166 WeakPolarHBondContact CH2-CD2 2.97Å; W8-H166 AromaticContact CH2-NE2 3.37Å; W8-H166 WeakPolarHBondContact CH2-NE2 3.33Å; W8-H166 AromaticContact CZ3-CD2 3.17Å; W8-H166 WeakPolarHBondContact CZ3-CD2 3.34Å; W8-H166 AromaticContact CZ3-NE2 3.59Å; W8-C169 HydrophobicContact CH2-CB 4.03Å; W8-C169 HydrophobicContact CZ2-CB 4.28Å; W8-Q170 HydrophobicContact CH2-CG 4.48Å; W8-Q170 HydrophobicContact CZ2-CG 4.2Å; W8-L173 HydrophobicContact CZ2-CD1 3.99Å; W8-S232 VanDerWaalsContact CD1-OG 3.22Å; W8-S232 PolarHBondContact NE1-O 3.41Å; W8-S232 PolarHBondContact NE1-OG 3.46Å; W8-F235 HydrophobicContact CB-CD1 4.16Å; W8-F235 HydrophobicContact CB-CE1 4.18Å; W8-F235 HydrophobicContact CG-CD1 4.32Å; W8-P236 HydrophobicContact CD2-CG 3.61Å; W8-P236 HydrophobicContact CE3-CG 4Å; W8-P236 HydrophobicContact CG-CG 4.15Å; W8-P236 HydrophobicContact CH2-CG 3.95Å; W8-P236 HydrophobicContact CZ2-CG 3.53Å; W8-P236 HydrophobicContact CZ3-CG 4.19Å
9C91.4Very high89.6Confident12 Ų1254.8 Ų54.88%0.08127%0.266CS..Hα-helixtrans-61.5-43.1175.3-169.70000112W5 L6 T12 W13W5-C9 HydrophobicContact CE3-CB 4.42Å; W5-C9 HydrophobicContact CH2-CB 3.68Å; W5-C9 HydrophobicContact CZ2-CB 4.37Å; W5-C9 HydrophobicContact CZ3-CB 3.74Å; W5-C9 WeakPolarHBondContact O-CB 3.26Å; W5-C9 PolarHBondContact O-N 2.59Å; L6-C9 PolarHBondContact O-N 2.99Å; C9-T12 PolarHBondContact O-N 2.85Å; C9-T12 PolarHBondContact O-OG1 3.36Å; C9-W13 VanDerWaalsContact O-CD1 3.22Å; C9-W13 PolarHBondContact O-N 2.89Å; C9-W13 VanDerWaalsContact O-N 3.07Å
10I93.3Very high89.9Confident88 Ų8853.7 Ų53.745%0.45126%0.263SS..Hα-helixtrans-62.4-45175.9-70.6177.9000110.3L6 I7 W8 T12 W13 I14L6-I10 HydrophobicContact CD2-CD1 3.4Å; L6-I10 VanDerWaalsContact CD2-CD1 3.4Å; L6-I10 HydrophobicContact CD2-CG1 4.18Å; L6-I10 HydrophobicContact CG-CD1 4.37Å; L6-I10 WeakPolarHBondContact O-CG1 3.47Å; L6-I10 PolarHBondContact O-N 3.39Å; I7-I10 PolarHBondContact O-N 3.41Å; W8-I10 PolarHBondContact O-N 3.39Å; I10-T12 VanDerWaalsContact C-N 3.32Å; I10-T12 PolarHBondContact O-N 3.3Å; I10-W13 PolarHBondContact O-N 3.2Å; I10-I14 HydrophobicContact CG2-CD1 3.63Å; I10-I14 HydrophobicContact CG2-CG1 4.28Å; I10-I14 VanDerWaalsContact O-CG1 3.29Å; I10-I14 WeakPolarHBondContact O-CG1 3.41Å; I10-I14 PolarHBondContact O-N 3.21Å
11L94.1Very high90.1Very high31 Ų3153.2 Ų53.216%0.16226%0.263CS..Hα-helixtrans-57.8-44.2177.2-74.3167.5000111.5I7 W8 I14 T15 L228 F235I7-L11 HydrophobicContact CG2-CD1 3.92Å; I7-L11 HydrophobicContact CG2-CG 4.4Å; I7-L11 WeakPolarHBondContact O-CB 3.22Å; I7-L11 VanDerWaalsContact O-CG 3.29Å; I7-L11 WeakPolarHBondContact O-CG 3.45Å; I7-L11 PolarHBondContact O-N 2.92Å; W8-L11 WeakPolarHBondContact O-CB 3.16Å; W8-L11 PolarHBondContact O-N 3.27Å; L11-I14 PolarHBondContact O-N 3.28Å; L11-T15 PolarHBondContact O-N 3.19Å; L11-T15 PolarHBondContact O-OG1 2.99Å; L11-L228 HydrophobicContact CD2-CD1 4.05Å; L11-F235 HydrophobicContact CD1-CD1 4.44Å; L11-F235 HydrophobicContact CD1-CD2 4.48Å; L11-F235 HydrophobicContact CD1-CG 4.35Å
12T94.7Very high91.2Very high0 Ų048.2 Ų48.20%024%0.238CC..Hα-helixtrans-66.6-39.3178.853.60000113.1W8 C9 I10 T15 A16 S147 L150 L173 S232W8-T12 WeakPolarHBondContact O-CG2 3.4Å; W8-T12 PolarHBondContact O-N 3.49Å; W8-T12 PolarHBondContact O-OG1 3.05Å; C9-T12 PolarHBondContact O-N 2.85Å; C9-T12 PolarHBondContact O-OG1 3.36Å; I10-T12 VanDerWaalsContact C-N 3.32Å; I10-T12 PolarHBondContact O-N 3.3Å; T12-T15 WeakPolarHBondContact O-CB 3.17Å; T12-T15 PolarHBondContact O-N 3.03Å; T12-A16 PolarHBondContact O-N 3.33Å; T12-S147 PolarHBondContact O-OG 3.42Å; T12-L150 HydrophobicContact CG2-CD1 3.61Å; T12-L173 HydrophobicContact CG2-CD1 3.87Å; T12-L173 HydrophobicContact CG2-CD2 3.77Å; T12-L173 HydrophobicContact CG2-CG 4.46Å; T12-S232 WeakPolarHBondContact CG2-OG 2.92Å
13W96.1Very high92.1Very high95 Ų9546.1 Ų46.136%0.3622%0.223SC..Hα-helixtrans-64-43.7174.6-85.5106.5000112C9 I10 T15 A16 I17 F144C9-W13 VanDerWaalsContact O-CD1 3.22Å; C9-W13 PolarHBondContact O-N 2.89Å; C9-W13 VanDerWaalsContact O-N 3.07Å; I10-W13 PolarHBondContact O-N 3.2Å; W13-T15 VanDerWaalsContact C-N 3.33Å; W13-T15 PolarHBondContact O-N 2.95Å; W13-A16 PolarHBondContact O-N 3.46Å; W13-I17 VanDerWaalsContact O-CG1 3.26Å; W13-I17 WeakPolarHBondContact O-CG1 3.25Å; W13-I17 PolarHBondContact O-N 3.01Å; W13-F144 HydrophobicContact CZ3-CD1 4.21Å; W13-F144 HydrophobicContact CZ3-CE1 4.08Å
14I97.1Very high92.6Very high75 Ų7541.8 Ų41.839%0.38521%0.213SC..Hα-helixtrans-60.1-45.7175.2-67.8169.3000110.1I10 L11 A16 I17 L18 L228I10-I14 HydrophobicContact CG2-CD1 3.63Å; I10-I14 HydrophobicContact CG2-CG1 4.28Å; I10-I14 VanDerWaalsContact O-CG1 3.29Å; I10-I14 WeakPolarHBondContact O-CG1 3.41Å; I10-I14 PolarHBondContact O-N 3.21Å; L11-I14 PolarHBondContact O-N 3.28Å; I14-A16 VanDerWaalsContact C-N 3.35Å; I14-A16 PolarHBondContact O-N 3.15Å; I14-I17 PolarHBondContact O-N 2.92Å; I14-L18 HydrophobicContact CG2-CD1 3.74Å; I14-L18 HydrophobicContact CG2-CG 4.21Å; I14-L18 WeakPolarHBondContact O-CB 3.44Å; I14-L18 VanDerWaalsContact O-CG 3.27Å; I14-L18 WeakPolarHBondContact O-CG 3.43Å; I14-L18 PolarHBondContact O-N 2.91Å; I14-L228 HydrophobicContact CB-CD2 4.4Å; I14-L228 HydrophobicContact CG2-CD2 3.77Å
15T96.9Very high93Very high0 Ų043.4 Ų43.40%022%0.221CC..Hα-helixtrans-56.5-47.1175.9-62.30000111.9L11 T12 W13 L18 C19 L143 S225 L228L11-T15 PolarHBondContact O-N 3.19Å; L11-T15 PolarHBondContact O-OG1 2.99Å; T12-T15 WeakPolarHBondContact O-CB 3.17Å; T12-T15 PolarHBondContact O-N 3.03Å; W13-T15 VanDerWaalsContact C-N 3.33Å; W13-T15 PolarHBondContact O-N 2.95Å; T15-L18 PolarHBondContact O-N 2.96Å; T15-C19 WeakPolarHBondContact O-CB 3.44Å; T15-C19 PolarHBondContact O-N 3.07Å; T15-L143 HydrophobicContact CG2-CD1 3.93Å; T15-L143 HydrophobicContact CG2-CD2 3.91Å; T15-S225 PolarHBondContact O-OG 2.99Å; T15-L228 WeakPolarHBondContact OG1-CD2 3.41Å; T15-L228 WeakPolarHBondContact OG1-CG 2.76Å
16A96.8Very high93.2Very high0 Ų041.8 Ų41.80%022%0.215CC..Hα-helixtrans-63.5-43.2179.600000112.2T12 W13 I14 C19 T20 L143 F144T12-A16 PolarHBondContact O-N 3.33Å; W13-A16 PolarHBondContact O-N 3.46Å; I14-A16 VanDerWaalsContact C-N 3.35Å; I14-A16 PolarHBondContact O-N 3.15Å; A16-C19 PolarHBondContact O-N 3.46Å; A16-T20 WeakPolarHBondContact O-CB 3.31Å; A16-T20 PolarHBondContact O-N 3.44Å; A16-T20 PolarHBondContact O-OG1 2.87Å; A16-L143 HydrophobicContact CB-CB 4.15Å; A16-F144 HydrophobicContact CB-CD1 4.14Å; A16-F144 HydrophobicContact CB-CE1 4.06Å; A16-F144 HydrophobicContact CB-CG 4.41Å; A16-F144 HydrophobicContact CB-CZ 4.29Å
17I96.3Very high93.4Very high92 Ų9242.9 Ų42.947%0.47221%0.214SC..Hα-helixtrans-64.9-45177.7-67164.6000110.9W13 I14 T20 T21W13-I17 VanDerWaalsContact O-CG1 3.26Å; W13-I17 WeakPolarHBondContact O-CG1 3.25Å; W13-I17 PolarHBondContact O-N 3.01Å; I14-I17 PolarHBondContact O-N 2.92Å; I17-T20 PolarHBondContact O-N 2.93Å; I17-T21 WeakPolarHBondContact O-CB 3.22Å; I17-T21 PolarHBondContact O-N 2.92Å; I17-T21 PolarHBondContact O-OG1 3.45Å
18L96.4Very high93.5Very high50 Ų5039.1 Ų39.126%0.26220%0.195SC..Hα-helixtrans-63.1-42176.5-69.1172.8000111.7I14 T15 T20 T21 G22 I221 L228I14-L18 HydrophobicContact CG2-CD1 3.74Å; I14-L18 HydrophobicContact CG2-CG 4.21Å; I14-L18 WeakPolarHBondContact O-CB 3.44Å; I14-L18 VanDerWaalsContact O-CG 3.27Å; I14-L18 WeakPolarHBondContact O-CG 3.43Å; I14-L18 PolarHBondContact O-N 2.91Å; T15-L18 PolarHBondContact O-N 2.96Å; L18-T20 VanDerWaalsContact C-N 3.33Å; L18-T20 PolarHBondContact O-N 3.47Å; L18-T21 PolarHBondContact O-N 3.35Å; L18-G22 PolarHBondContact O-N 3.47Å; L18-I221 HydrophobicContact CB-CG2 4.06Å; L18-I221 HydrophobicContact CD2-CG2 3.85Å; L18-I221 WeakPolarHBondContact O-CG2 3.29Å; L18-L228 HydrophobicContact CD1-CD2 4.06Å
19C96Very high93.6Very high0 Ų038.8 Ų38.80%019%0.194CC..Hα-helixtrans-60.7-43.9175.5-172.90000111.2T15 A16 G22 C23 L143 I180 S225T15-C19 WeakPolarHBondContact O-CB 3.44Å; T15-C19 PolarHBondContact O-N 3.07Å; A16-C19 PolarHBondContact O-N 3.46Å; C19-G22 PolarHBondContact O-N 3.2Å; C19-C23 WeakPolarHBondContact O-CB 3.38Å; C19-C23 PolarHBondContact O-N 3.11Å; C19-L143 HydrophobicContact CB-CD1 3.83Å; C19-I180 HydrophobicContact CB-CD1 4.42Å; C19-S225 WeakPolarHBondContact CB-OG 3.39Å; C19-S225 PolarHBondContact N-OG 3.44Å
20T95.4Very high93.5Very high32 Ų3239.7 Ų39.720%0.19620%0.198CC..Hα-helixtrans-64.7-42.5178.7-54.90000111.3A16 I17 L18 C23 L24 F144A16-T20 WeakPolarHBondContact O-CB 3.31Å; A16-T20 PolarHBondContact O-N 3.44Å; A16-T20 PolarHBondContact O-OG1 2.87Å; I17-T20 PolarHBondContact O-N 2.93Å; L18-T20 VanDerWaalsContact C-N 3.33Å; L18-T20 PolarHBondContact O-N 3.47Å; T20-C23 PolarHBondContact O-N 2.93Å; T20-L24 HydrophobicContact CG2-CD1 3.81Å; T20-L24 HydrophobicContact CG2-CG 4.36Å; T20-L24 WeakPolarHBondContact O-CG 3.3Å; T20-L24 PolarHBondContact O-N 3.3Å; T20-F144 WeakPolarHBondContact OG1-CE2 3.38Å; T20-F144 VanDerWaalsContact OG1-CZ 3.31Å; T20-F144 WeakPolarHBondContact OG1-CZ 3.27Å
21T94.3Very high93.1Very high43 Ų4335.6 Ų35.626%0.26418%0.177SC..Hα-helixtrans-61.6-46.5176.7-55.90000109.9I17 L18 C23 L24 L25I17-T21 WeakPolarHBondContact O-CB 3.22Å; I17-T21 PolarHBondContact O-N 2.92Å; I17-T21 PolarHBondContact O-OG1 3.45Å; L18-T21 PolarHBondContact O-N 3.35Å; T21-C23 VanDerWaalsContact C-N 3.35Å; T21-C23 PolarHBondContact O-N 3.47Å; T21-L24 PolarHBondContact O-N 3.36Å; T21-L25 HydrophobicContact CG2-CD1 3.84Å; T21-L25 HydrophobicContact CG2-CD2 3.93Å; T21-L25 HydrophobicContact CG2-CG 4.48Å; T21-L25 WeakPolarHBondContact O-CB 3.36Å; T21-L25 VanDerWaalsContact O-CD1 3.26Å; T21-L25 WeakPolarHBondContact O-CD1 3.37Å; T21-L25 PolarHBondContact O-N 3.42Å; T21-L25 VanDerWaalsContact O-N 3.14Å
22G92.5Very high92.4Very high0 Ų039 Ų390%019%0.191CC..Hα-helixtrans-55.8-46.8172.500000112.9L18 C19 W28 T222L18-G22 PolarHBondContact O-N 3.47Å; C19-G22 PolarHBondContact O-N 3.2Å; G22-W28 PolarHBondContact O-NE1 3.25Å; G22-T222 WeakPolarHBondContact CA-OG1 3.45Å
23C91.9Very high91.4Very high17 Ų1739.9 Ų39.912%0.11520%0.195CC..Hα-helixtrans-62.8-44.8-179.9-171.60000112.9C19 T20 T21 N61 F63 L136C19-C23 WeakPolarHBondContact O-CB 3.38Å; C19-C23 PolarHBondContact O-N 3.11Å; T20-C23 PolarHBondContact O-N 2.93Å; T21-C23 VanDerWaalsContact C-N 3.35Å; T21-C23 PolarHBondContact O-N 3.47Å; C23-N61 PolarHBondContact O-ND2 2.96Å; C23-F63 VanDerWaalsContact O-CE1 3.22Å; C23-F63 WeakPolarHBondContact O-CE1 3.46Å; C23-L136 HydrophobicContact CB-CD2 3.82Å; C23-L136 HydrophobicContact CB-CG 4.24Å
24L91Very high90Very high101 Ų10141 Ų4153%0.52921%0.208SC..Hα-helixtrans-86.6-24.5-170.1-63.6177.3000114.9T20 T21T20-L24 HydrophobicContact CG2-CD1 3.81Å; T20-L24 HydrophobicContact CG2-CG 4.36Å; T20-L24 WeakPolarHBondContact O-CG 3.3Å; T20-L24 PolarHBondContact O-N 3.3Å; T21-L24 PolarHBondContact O-N 3.36Å
25L91Very high88Confident60 Ų6038.7 Ų38.731%0.31420%0.198SC..  trans-82.1130.1-172.7-93.366000112.1T21 Y27 N61 A218T21-L25 HydrophobicContact CG2-CD1 3.84Å; T21-L25 HydrophobicContact CG2-CD2 3.93Å; T21-L25 HydrophobicContact CG2-CG 4.48Å; T21-L25 WeakPolarHBondContact O-CB 3.36Å; T21-L25 VanDerWaalsContact O-CD1 3.26Å; T21-L25 WeakPolarHBondContact O-CD1 3.37Å; T21-L25 PolarHBondContact O-N 3.42Å; T21-L25 VanDerWaalsContact O-N 3.14Å; L25-Y27 HydrophobicContact CB-CD2 3.98Å; L25-Y27 HydrophobicContact CD2-CD2 4.03Å; L25-Y27 HydrophobicContact CG-CD2 4.06Å; L25-Y27 HydrophobicContact CG-CE2 4.44Å; L25-Y27 PolarHBondContact O-N 2.95Å; L25-N61 WeakPolarHBondContact O-CB 3.17Å; L25-N61 PolarHBondContact O-ND2 3.23Å; L25-A218 HydrophobicContact CB-CB 3.75Å
26P86.6Confident85.7Confident4 Ų445.4 Ų45.43%0.02623%0.234CC..SBendtrans-74.217.8179.731.7-35000114.3T59 L60 R64P26-T59 CarbonylContact O-C 3.46Å; P26-T59 WeakPolarHBondContact O-CB 3.3Å; P26-L60 CarbonylContact O-C 3.54Å; P26-L60 PolarHBondContact O-N 2.83Å; P26-L60 VanDerWaalsContact O-O 3.12Å; P26-R64 HydrophobicContact CB-CB 4.44Å; P26-R64 HydrophobicContact CB-CG 4.16Å
27Y90.7Very high83.4Confident113 Ų11348.7 Ų48.744%0.44325%0.254SS..  trans-108.547.7-169.6-54.7-71.7000112L25 T59 G216 W217 A218L25-Y27 HydrophobicContact CB-CD2 3.98Å; L25-Y27 HydrophobicContact CD2-CD2 4.03Å; L25-Y27 HydrophobicContact CG-CD2 4.06Å; L25-Y27 HydrophobicContact CG-CE2 4.44Å; L25-Y27 PolarHBondContact O-N 2.95Å; Y27-T59 HydrophobicContact CD1-CG2 3.87Å; Y27-T59 HydrophobicContact CE1-CG2 4.03Å; Y27-G216 CarbonylContact O-C 3.59Å; Y27-G216 WeakPolarHBondContact O-CA 3.45Å; Y27-W217 PolarHBondContact O-N 2.94Å; Y27-A218 VanDerWaalsContact O-CB 3.32Å; Y27-A218 WeakPolarHBondContact O-CB 3.38Å; Y27-A218 PolarHBondContact O-N 3.21Å; Y27-A218 VanDerWaalsContact O-N 3.08Å
28W91.8Very high80.6Confident0 Ų051.5 Ų51.50%027%0.265CS..SBendtrans-87.2-41.6173.9-77.545.8000111.2G22 L60 N61 L62 L136 F187 G216 Y219 T222G22-W28 PolarHBondContact O-NE1 3.25Å; W28-L60 WeakPolarHBondContact CB-O 3.31Å; W28-L60 PolarHBondContact N-O 2.89Å; W28-N61 HydrophobicContact CB-CB 4.42Å; W28-N61 VanDerWaalsContact CD1-OD1 3.24Å; W28-N61 HydrophobicContact CG-CB 4.14Å; W28-N61 PolarHBondContact NE1-OD1 3.43Å; W28-N61 VanDerWaalsContact NE1-OD1 3.16Å; W28-L62 HydrophobicContact CD2-CD1 3.75Å; W28-L62 HydrophobicContact CE3-CD1 3.35Å; W28-L62 HydrophobicContact CH2-CD1 3.55Å; W28-L62 HydrophobicContact CZ2-CD1 3.88Å; W28-L62 HydrophobicContact CZ3-CD1 3.28Å; W28-L136 HydrophobicContact CH2-CD2 4.33Å; W28-L136 HydrophobicContact CZ2-CD2 4.05Å; W28-F187 HydrophobicContact CB-CE1 4.15Å; W28-F187 HydrophobicContact CB-CZ 3.86Å; W28-F187 HydrophobicContact CE3-CB 4.34Å; W28-F187 AromaticContact CE3-CD1 3.82Å; W28-F187 HydrophobicContact CE3-CD1 3.82Å; W28-F187 AromaticContact CE3-CD2 3.73Å; W28-F187 HydrophobicContact CE3-CD2 3.73Å; W28-F187 AromaticContact CE3-CE1 3.96Å; W28-F187 HydrophobicContact CE3-CE1 3.96Å; W28-F187 AromaticContact CE3-CE2 3.89Å; W28-F187 HydrophobicContact CE3-CE2 3.89Å; W28-F187 AromaticContact CE3-CG 3.69Å; W28-F187 HydrophobicContact CE3-CG 3.69Å; W28-F187 AromaticContact CE3-CZ 4Å; W28-F187 HydrophobicContact CE3-CZ 4Å; W28-F187 HydrophobicContact CZ3-CB 4.02Å; W28-F187 HydrophobicContact CZ3-CD1 4.32Å; W28-F187 HydrophobicContact CZ3-CD2 4.06Å; W28-F187 AromaticContact CZ3-CG 3.88Å; W28-F187 HydrophobicContact CZ3-CG 3.88Å; W28-G216 PolarHBondContact O-N 2.98Å; W28-Y219 HydrophobicContact CD2-CD2 4.08Å; W28-Y219 AromaticContact CE3-CD2 3.45Å; W28-Y219 HydrophobicContact CE3-CD2 3.45Å; W28-Y219 VanDerWaalsContact CE3-CD2 3.45Å; W28-Y219 HydrophobicContact CE3-CE2 4.12Å; W28-Y219 HydrophobicContact CE3-CG 4.47Å; W28-Y219 HydrophobicContact CH2-CD2 4.5Å; W28-Y219 AromaticContact CZ3-CD2 3.66Å; W28-Y219 HydrophobicContact CZ3-CD2 3.66Å; W28-Y219 HydrophobicContact CZ3-CE2 4.01Å; W28-T222 HydrophobicContact CH2-CG2 3.96Å; W28-T222 HydrophobicContact CZ2-CG2 3.92Å; W28-T222 WeakPolarHBondContact CZ2-OG1 3.27Å
29L90.5Very high78.1Confident2 Ų252 Ų521%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-134.9131179.2-167.571.5000109.5T59 L60 F187 W191 I197 L210 C213L29-T59 WeakPolarHBondContact O-CA 3.34Å; L29-L60 HydrophobicContact CB-CB 4.46Å; L29-L60 PolarHBondContact N-O 3.48Å; L29-L60 PolarHBondContact O-N 3.43Å; L29-F187 HydrophobicContact CB-CE1 4.47Å; L29-F187 HydrophobicContact CB-CZ 4.29Å; L29-W191 HydrophobicContact CD1-CH2 4.18Å; L29-W191 HydrophobicContact CD1-CZ2 3.93Å; L29-W191 HydrophobicContact CD2-CZ2 4.46Å; L29-I197 HydrophobicContact CD2-CG2 3.53Å; L29-L210 HydrophobicContact CD1-CD2 4.04Å; L29-C213 HydrophobicContact CD1-CB 3.98Å; L29-C213 HydrophobicContact CG-CB 4.2Å
30N89.1Confident75.6Confident31 Ų3157.9 Ų57.917%0.16630%0.303CS..EExtended strand (participates in β ladder)trans-108.9120.3175.6-61.1-25.4000108.2I57 S58 T59 C213 Q214N30-I57 HydrophobicContact CB-CG2 4.46Å; N30-S58 CarbonylContact C-O 3.54Å; N30-S58 WeakPolarHBondContact CA-O 3.38Å; N30-T59 WeakPolarHBondContact OD1-CG2 3.46Å; N30-C213 CarbonylContact O-C 3.6Å; N30-C213 VanDerWaalsContact O-CA 3.26Å; N30-C213 WeakPolarHBondContact O-CA 3.1Å; N30-C213 WeakPolarHBondContact O-CB 3.27Å; N30-Q214 HydrophobicContact CB-CB 4.43Å; N30-Q214 PolarHBondContact N-O 2.94Å; N30-Q214 PolarHBondContact O-N 3.47Å
31G85.2Confident73Confident2 Ų260 Ų602%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-112.3172.2172.800000111.6I57 S58 C213G31-I57 WeakPolarHBondContact O-CA 3.31Å; G31-S58 PolarHBondContact N-O 3.47Å; G31-S58 PolarHBondContact O-N 3.28Å; G31-C213 WeakPolarHBondContact CA-SG 3.46Å
32K79.5Confident70.3Confident102 Ų10266.5 Ų66.544%0.44334%0.341SS..EExtended strand (participates in β ladder)trans-121.3129.1175.5-70.5-179.7167-158.60109.1D55 L56 L200K32-D55 HydrophobicContact CB-CB 4.5Å; K32-D55 HydrophobicContact CD-CB 4.11Å; K32-D55 WeakPolarHBondContact CD-OD2 3.43Å; K32-D55 HydrophobicContact CG-CB 4.36Å; K32-D55 IonicContact NZ-OD2 2.88Å; K32-D55 PolarHBondContact NZ-OD2 3.45Å; K32-L56 WeakPolarHBondContact CA-O 3.49Å; K32-L200 PolarHBondContact N-O 3.14Å
33I74.5Confident67.7Low18 Ų1872.9 Ų72.99%0.09238%0.375CS..EExtended strand (participates in β ladder)trans-103.3115.3172.2-59.3166.1000106.4S35 L56 I67 L200I33-S35 PolarHBondContact O-N 3Å; I33-L56 PolarHBondContact N-O 3.45Å; I33-L56 PolarHBondContact O-N 2.85Å; I33-I67 WeakPolarHBondContact CD1-O 3.15Å; I33-L200 HydrophobicContact CD1-CD2 4.28Å; I33-L200 HydrophobicContact CG1-CD2 4.05Å
34L66.6Low65.3Low120 Ų12080.4 Ų80.463%0.62841%0.409SS*.  trans-79.297.8174.8-156.377.7000107.8N36 D55L34-N36 WeakPolarHBondContact CD2-OD1 3.33Å; L34-N36 WeakPolarHBondContact CG-OD1 3.24Å; L34-N36 PolarHBondContact O-N 3.18Å; L34-D55 WeakPolarHBondContact CD1-OD1 3.5Å
35S55.7Low62.9Low25 Ų2582.9 Ų82.918%0.17542%0.422CS..  trans-79.895.5171.361.50000108.6I33 T37 L56I33-S35 PolarHBondContact O-N 3Å; S35-T37 PolarHBondContact O-N 3.37Å; S35-L56 WeakPolarHBondContact OG-CD1 3.36Å
36N48.8Very low60.6Low141 Ų14187.9 Ų87.975%0.75444%0.444SS*.  trans-76.913.6166.1-66.9-4.8000111.8L34L34-N36 WeakPolarHBondContact CD2-OD1 3.33Å; L34-N36 WeakPolarHBondContact CG-OD1 3.24Å; L34-N36 PolarHBondContact O-N 3.18Å
37T46.8Very low58.1Low70 Ų7093 Ų9343%0.42947%0.47SS..SBendtrans-122.1123.6-171-44.10000109.1S35 M39S35-T37 PolarHBondContact O-N 3.37Å; T37-M39 PolarHBondContact O-N 3.18Å
38E39.4Very low55.3Low150 Ų15095.6 Ų95.670%0.70148%0.484SS*.  trans-53.9105.7169.7-64.1175.3165.900109.1T40E38-T40 PolarHBondContact O-N 3Å; E38-T40 VanDerWaalsContact O-N 3.16Å
39M43.6Very low52.6Low60 Ų60104.3 Ų104.330%0.29652%0.518SS..  trans-68.3113.3174.5-83.2-168.1-76.100109.3T37 T41 L56 I112T37-M39 PolarHBondContact O-N 3.18Å; M39-T41 PolarHBondContact O-N 3.22Å; M39-L56 HydrophobicContact CE-CD1 3.73Å; M39-L56 HydrophobicContact CE-CD2 3.8Å; M39-L56 HydrophobicContact CE-CG 4.37Å; M39-I112 HydrophobicContact CG-CD1 4.21Å; M39-I112 HydrophobicContact SD-CB 3.96Å; M39-I112 HydrophobicContact SD-CD1 3.96Å; M39-I112 HydrophobicContact SD-CG1 4.45Å; M39-I112 HydrophobicContact SD-CG2 4.36Å
40T41.8Very low50.1Low124 Ų124107.2 Ų107.276%0.76154%0.536SS*.  trans-79.593.1171.445.10000109.1E38 F42E38-T40 PolarHBondContact O-N 3Å; E38-T40 VanDerWaalsContact O-N 3.16Å; T40-F42 PolarHBondContact O-N 3.4Å
41T41.6Very low47.8Very low78 Ų78110.5 Ų110.548%0.47956%0.558SS.*  trans-76105.316746.50000108.6M39 N43M39-T41 PolarHBondContact O-N 3.22Å; T41-N43 PolarHBondContact O-N 2.95Å; T41-N43 VanDerWaalsContact O-N 3.13Å
42F37Very low45.8Very low178 Ų178117.2 Ų117.278%0.78158%0.583SS**  trans-79.691.7174.7-139.5-91.2000108.5T40T40-F42 PolarHBondContact O-N 3.4Å
43N38.9Very low44.3Very low134 Ų134119.9 Ų119.972%0.71760%0.603SS**  trans-92.6128.7160.1-103.2-1.2000107.7T41 N45T41-N43 PolarHBondContact O-N 2.95Å; T41-N43 VanDerWaalsContact O-N 3.13Å; N43-N45 PolarHBondContact O-N 3.45Å; N43-N45 VanDerWaalsContact O-N 3.14Å
44E42Very low43.5Very low176 Ų176126.1 Ų126.182%0.82263%0.629SS**THydrogen-bonded Turntrans-40.9118.5178.1-65179.2152.300111H46E44-H46 PolarHBondContact O-N 3.34Å
45N39.2Very low43.6Very low152 Ų152123.8 Ų123.881%0.81362%0.617SS**THydrogen-bonded Turntrans77.42165.5-55.5-25.3000121N43N43-N45 PolarHBondContact O-N 3.45Å; N43-N45 VanDerWaalsContact O-N 3.14Å
46H42.7Very low44.5Very low166 Ų166124 Ų12477%0.76962%0.616SS**  trans-150.1112164.3-85.9-81.6000111.7E44 K48E44-H46 PolarHBondContact O-N 3.34Å; H46-K48 PolarHBondContact O-N 2.89Å
47L35.2Very low46.1Very low111 Ų111122 Ų12258%0.58160%0.604SS**  trans-67.9100.1-179.8-149.1123.8000109.9Y49L47-Y49 HydrophobicContact CD2-CD1 4.14Å; L47-Y49 HydrophobicContact CD2-CD2 4.16Å; L47-Y49 HydrophobicContact CD2-CE1 3.51Å; L47-Y49 HydrophobicContact CD2-CE2 3.53Å; L47-Y49 HydrophobicContact CD2-CG 4.44Å; L47-Y49 VanDerWaalsContact CD2-OH 3.31Å; L47-Y49 WeakPolarHBondContact CD2-OH 3.45Å
48K30.9Very low48Very low167 Ų167118.7 Ų118.773%0.72658%0.584SS**  trans-103.6100178-158174.5-172.8178.30109.1H46 T50H46-K48 PolarHBondContact O-N 2.89Å; K48-T50 PolarHBondContact O-N 3.46Å
49Y36Very low50.4Low183 Ų183112.2 Ų112.272%0.71856%0.555SS**  trans-61.5115.5172.8-55.9-92000109.7L47L47-Y49 HydrophobicContact CD2-CD1 4.14Å; L47-Y49 HydrophobicContact CD2-CD2 4.16Å; L47-Y49 HydrophobicContact CD2-CE1 3.51Å; L47-Y49 HydrophobicContact CD2-CE2 3.53Å; L47-Y49 HydrophobicContact CD2-CG 4.44Å; L47-Y49 VanDerWaalsContact CD2-OH 3.31Å; L47-Y49 WeakPolarHBondContact CD2-OH 3.45Å
50T37.4Very low52.5Low64 Ų64109.4 Ų109.439%0.39354%0.541SS..  trans-112.492.7164.455.10000108.8K48 Y52K48-T50 PolarHBondContact O-N 3.46Å; T50-Y52 PolarHBondContact O-N 3.27Å; T50-Y52 VanDerWaalsContact O-N 3.09Å
51T40Very low54.7Low100 Ų100103.5 Ų103.561%0.61351%0.505SS*.  trans-68.3100.1170.7-42.50000108.7
52Y45.1Very low56.9Low142 Ų14299.9 Ų99.956%0.55748%0.483SS*.  trans-100.594.8168.3-85.8-86.4000108.7T50 K54T50-Y52 PolarHBondContact O-N 3.27Å; T50-Y52 VanDerWaalsContact O-N 3.09Å; Y52-K54 HydrophobicContact CD1-CB 4.29Å; Y52-K54 HydrophobicContact CD1-CD 3.97Å; Y52-K54 HydrophobicContact CD1-CG 4.18Å; Y52-K54 HydrophobicContact CE1-CD 4.32Å; Y52-K54 PolarHBondContact O-N 2.88Å
53N46.2Very low59.3Low159 Ų15993.3 Ų93.385%0.8545%0.454SS*.  trans-69.535.3162.2-78.9-5.9000111.6
54K57.9Low61.7Low148 Ų14889.6 Ų89.664%0.64343%0.43SS*.SBendtrans-114.3125.9-175.9-69.9-168.2-178.2178.10109.2Y52 L56Y52-K54 HydrophobicContact CD1-CB 4.29Å; Y52-K54 HydrophobicContact CD1-CD 3.97Å; Y52-K54 HydrophobicContact CD1-CG 4.18Å; Y52-K54 HydrophobicContact CE1-CD 4.32Å; Y52-K54 PolarHBondContact O-N 2.88Å; K54-L56 PolarHBondContact O-N 2.88Å; K54-L56 VanDerWaalsContact O-N 3.16Å
55D68.5Low63.9Low71 Ų7181.6 Ų81.638%0.3839%0.392SS..  trans-44.2119.2168.1-59.1-13.8000110.1K32 L34K32-D55 HydrophobicContact CB-CB 4.5Å; K32-D55 HydrophobicContact CD-CB 4.11Å; K32-D55 WeakPolarHBondContact CD-OD2 3.43Å; K32-D55 HydrophobicContact CG-CB 4.36Å; K32-D55 IonicContact NZ-OD2 2.88Å; K32-D55 PolarHBondContact NZ-OD2 3.45Å; L34-D55 WeakPolarHBondContact CD1-OD1 3.5Å
56L75.6Confident66.2Low29 Ų2974.7 Ų74.715%0.15236%0.355CS..EExtended strand (participates in β ladder)trans-78.9126.6172.4-82.595000109.2K32 I33 S35 M39 K54 S58 I67 I112K32-L56 WeakPolarHBondContact CA-O 3.49Å; I33-L56 PolarHBondContact N-O 3.45Å; I33-L56 PolarHBondContact O-N 2.85Å; S35-L56 WeakPolarHBondContact OG-CD1 3.36Å; M39-L56 HydrophobicContact CE-CD1 3.73Å; M39-L56 HydrophobicContact CE-CD2 3.8Å; M39-L56 HydrophobicContact CE-CG 4.37Å; K54-L56 PolarHBondContact O-N 2.88Å; K54-L56 VanDerWaalsContact O-N 3.16Å; L56-S58 PolarHBondContact O-N 3.25Å; L56-I67 HydrophobicContact CB-CG2 4.32Å; L56-I67 HydrophobicContact CD2-CG2 4Å; L56-I112 HydrophobicContact CD2-CG2 4.34Å
57I82.9Confident68.1Low99 Ų9968.6 Ų68.651%0.50833%0.328SS..EExtended strand (participates in β ladder)trans-85115.4178.3-58.1169.1000107.9N30 G31 T59 I67N30-I57 HydrophobicContact CB-CG2 4.46Å; G31-I57 WeakPolarHBondContact O-CA 3.31Å; I57-T59 HydrophobicContact CG2-CG2 4.26Å; I57-I67 VanDerWaalsContact O-CD1 3.22Å; I57-I67 WeakPolarHBondContact O-CD1 3.32Å
58S86.2Confident70.4Confident1 Ų163.4 Ų63.41%0.00730%0.301CS..EExtended strand (participates in β ladder)trans-96.9137.7172.8-178.70000109.4N30 G31 L56 C66 I67 L200N30-S58 CarbonylContact C-O 3.54Å; N30-S58 WeakPolarHBondContact CA-O 3.38Å; G31-S58 PolarHBondContact N-O 3.47Å; G31-S58 PolarHBondContact O-N 3.28Å; L56-S58 PolarHBondContact O-N 3.25Å; S58-C66 PolarHBondContact OG-O 3.07Å; S58-C66 VanDerWaalsContact OG-O 3.08Å; S58-I67 WeakPolarHBondContact CB-O 3.35Å; S58-I67 PolarHBondContact OG-O 3.33Å; S58-L200 VanDerWaalsContact OG-CD2 3.29Å; S58-L200 WeakPolarHBondContact OG-CD2 3.27Å
59T89.2Confident72.5Confident14 Ų1456 Ų569%0.08627%0.269CS..EExtended strand (participates in β ladder)trans-120.5138.6-17966.20000110.5P26 Y27 L29 N30 I57 R65 C66P26-T59 CarbonylContact O-C 3.46Å; P26-T59 WeakPolarHBondContact O-CB 3.3Å; Y27-T59 HydrophobicContact CD1-CG2 3.87Å; Y27-T59 HydrophobicContact CE1-CG2 4.03Å; L29-T59 WeakPolarHBondContact O-CA 3.34Å; N30-T59 WeakPolarHBondContact OD1-CG2 3.46Å; I57-T59 HydrophobicContact CG2-CG2 4.26Å; T59-R65 CarbonylContact O-C 3.57Å; T59-R65 WeakPolarHBondContact O-CA 3.32Å; T59-C66 PolarHBondContact N-O 3.23Å; T59-C66 VanDerWaalsContact N-O 3.13Å; T59-C66 PolarHBondContact O-N 2.86Å; T59-C66 WeakPolarHBondContact OG1-CB 3.37Å
60L89.2Confident74.3Confident1 Ų148.3 Ų48.31%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-134.8143.8-173.1-176.272000111.2P26 W28 L29 R65 Y119 W129 I197 L200P26-L60 CarbonylContact O-C 3.54Å; P26-L60 PolarHBondContact O-N 2.83Å; P26-L60 VanDerWaalsContact O-O 3.12Å; W28-L60 WeakPolarHBondContact CB-O 3.31Å; W28-L60 PolarHBondContact N-O 2.89Å; L29-L60 HydrophobicContact CB-CB 4.46Å; L29-L60 PolarHBondContact N-O 3.48Å; L29-L60 PolarHBondContact O-N 3.43Å; L60-R65 HydrophobicContact CD1-CB 3.67Å; L60-R65 HydrophobicContact CD1-CG 3.75Å; L60-Y119 HydrophobicContact CD1-CE2 4.2Å; L60-W129 HydrophobicContact CD2-CH2 3.66Å; L60-W129 HydrophobicContact CD2-CZ3 4.2Å; L60-I197 HydrophobicContact CD2-CG1 4.46Å; L60-L200 HydrophobicContact CD2-CD1 4.31Å
61N88Confident75.7Confident1 Ų150.9 Ų50.91%0.00524%0.244CC..  trans-133.5179.3165.4-177.97.1000108.7C23 L25 W28 F63 R64C23-N61 PolarHBondContact O-ND2 2.96Å; L25-N61 WeakPolarHBondContact O-CB 3.17Å; L25-N61 PolarHBondContact O-ND2 3.23Å; W28-N61 HydrophobicContact CB-CB 4.42Å; W28-N61 VanDerWaalsContact CD1-OD1 3.24Å; W28-N61 HydrophobicContact CG-CB 4.14Å; W28-N61 PolarHBondContact NE1-OD1 3.43Å; W28-N61 VanDerWaalsContact NE1-OD1 3.16Å; N61-F63 PolarHBondContact O-N 3.46Å; N61-F63 VanDerWaalsContact O-N 3.14Å; N61-R64 PolarHBondContact N-O 2.82Å
62L86.8Confident76.7Confident2 Ų248.5 Ų48.51%0.0123%0.23CC..SBendtrans-51.6-36.4-175.7-82.875.5000114.4W28 L133 F187W28-L62 HydrophobicContact CD2-CD1 3.75Å; W28-L62 HydrophobicContact CE3-CD1 3.35Å; W28-L62 HydrophobicContact CH2-CD1 3.55Å; W28-L62 HydrophobicContact CZ2-CD1 3.88Å; W28-L62 HydrophobicContact CZ3-CD1 3.28Å; L62-L133 HydrophobicContact CB-CD1 4.39Å; L62-L133 HydrophobicContact CD2-CB 3.9Å; L62-F187 HydrophobicContact CD1-CD2 3.7Å; L62-F187 HydrophobicContact CD1-CE2 3.97Å; L62-F187 HydrophobicContact CG-CD2 4.22Å
63F88Confident77.3Confident39 Ų3947.1 Ų47.117%0.17123%0.232CC..SBendtrans-134.83-174.869.5-84.8000114.1C23 N61 Y118 Y119 L133C23-F63 VanDerWaalsContact O-CE1 3.22Å; C23-F63 WeakPolarHBondContact O-CE1 3.46Å; N61-F63 PolarHBondContact O-N 3.46Å; N61-F63 VanDerWaalsContact O-N 3.14Å; F63-Y118 AromaticContact CD2-CD1 3.8Å; F63-Y118 HydrophobicContact CD2-CD1 3.8Å; F63-Y118 HydrophobicContact CD2-CE1 4.35Å; F63-Y118 AromaticContact CE2-CD1 3.76Å; F63-Y118 HydrophobicContact CE2-CD1 3.76Å; F63-Y118 AromaticContact CE2-CE1 3.86Å; F63-Y118 HydrophobicContact CE2-CE1 3.86Å; F63-Y118 CarbonylContact O-C 3.39Å; F63-Y118 WeakPolarHBondContact O-CA 3.32Å; F63-Y119 VanDerWaalsContact C-CD2 3.49Å; F63-Y119 WeakPolarHBondContact O-CD2 3.28Å; F63-Y119 PolarHBondContact O-N 3.48Å; F63-L133 HydrophobicContact CB-CD1 3.52Å; F63-L133 HydrophobicContact CD1-CD1 3.46Å; F63-L133 VanDerWaalsContact CD1-CD1 3.46Å; F63-L133 HydrophobicContact CE1-CD1 4.41Å; F63-L133 HydrophobicContact CG-CD1 3.72Å
64R88.7Confident77.5Confident57 Ų5743.2 Ų43.222%0.21521%0.21CC..EExtended strand (participates in β ladder)trans-134.3135.2179.9-171.3-178-177.6-158.1-0.8110.1P26 N61 C116 G117 Y118P26-R64 HydrophobicContact CB-CB 4.44Å; P26-R64 HydrophobicContact CB-CG 4.16Å; N61-R64 PolarHBondContact N-O 2.82Å; R64-C116 PolarHBondContact NH2-SG 3.3Å; R64-G117 WeakPolarHBondContact CA-O 3.29Å; R64-G117 WeakPolarHBondContact CG-O 3.31Å; R64-Y118 HydrophobicContact CB-CD1 4Å; R64-Y118 HydrophobicContact CB-CE1 4.07Å; R64-Y118 HydrophobicContact CG-CD1 3.96Å; R64-Y118 HydrophobicContact CG-CE1 3.77Å; R64-Y118 PolarHBondContact NE-OH 3.22Å
65R87.8Confident77.1Confident7 Ų739.9 Ų39.93%0.02620%0.202CC..EExtended strand (participates in β ladder)trans-128.2140.8174.7-171.9172.7179.3179.3-5109.6T59 L60 Y68 C116 G117 Y119 E196T59-R65 CarbonylContact O-C 3.57Å; T59-R65 WeakPolarHBondContact O-CA 3.32Å; L60-R65 HydrophobicContact CD1-CB 3.67Å; L60-R65 HydrophobicContact CD1-CG 3.75Å; R65-Y68 HydrophobicContact CG-CD1 4.27Å; R65-C116 CarbonylContact O-C 3.56Å; R65-C116 VanDerWaalsContact O-CA 3.31Å; R65-C116 WeakPolarHBondContact O-CA 3.26Å; R65-G117 PolarHBondContact N-O 3.18Å; R65-G117 PolarHBondContact O-N 2.85Å; R65-Y119 HydrophobicContact CB-CE2 4.01Å; R65-Y119 WeakPolarHBondContact CD-OH 3.32Å; R65-E196 IonicContact NH1-OE2 3.07Å; R65-E196 PolarHBondContact NH1-OE2 2.87Å
66C88.3Confident76.2Confident7 Ų740 Ų405%0.04721%0.206CC..EExtended strand (participates in β ladder)trans-122.9141.9174.3-56.40000109.4S58 T59 C116S58-C66 PolarHBondContact OG-O 3.07Å; S58-C66 VanDerWaalsContact OG-O 3.08Å; T59-C66 PolarHBondContact N-O 3.23Å; T59-C66 VanDerWaalsContact N-O 3.13Å; T59-C66 PolarHBondContact O-N 2.86Å; T59-C66 WeakPolarHBondContact OG1-CB 3.37Å; C66-C116 HydrophobicContact CB-CB 4.04Å; C66-C116 WeakPolarHBondContact CB-SG 3.29Å; C66-C116 WeakPolarHBondContact SG-CB 3.49Å; C66-C116 CovalentContact SG-SG 2.04Å; C66-C116 PolarHBondContact SG-SG 3.28Å
67I83Confident74.9Confident38 Ų3843.2 Ų43.220%0.19522%0.223CC..EExtended strand (participates in β ladder)trans60.590.9-179.6-56.4164.6000110.7I33 L56 I57 S58 I112 Q113 I114I33-I67 WeakPolarHBondContact CD1-O 3.15Å; L56-I67 HydrophobicContact CB-CG2 4.32Å; L56-I67 HydrophobicContact CD2-CG2 4Å; I57-I67 VanDerWaalsContact O-CD1 3.22Å; I57-I67 WeakPolarHBondContact O-CD1 3.32Å; S58-I67 WeakPolarHBondContact CB-O 3.35Å; S58-I67 PolarHBondContact OG-O 3.33Å; I67-I112 HydrophobicContact CG2-CG2 4.36Å; I67-Q113 CarbonylContact C-O 3.57Å; I67-Q113 WeakPolarHBondContact CA-O 3.35Å; I67-I114 HydrophobicContact CG1-CG2 4.29Å; I67-I114 WeakPolarHBondContact CG1-O 3.45Å
68Y81.8Confident73.4Confident3 Ų344.1 Ų44.11%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-145151.1-177.564-87.3000112.4R65 I70 Q113 I308 H310R65-Y68 HydrophobicContact CG-CD1 4.27Å; Y68-I70 HydrophobicContact CD2-CD1 4.46Å; Y68-I70 HydrophobicContact CD2-CG1 3.83Å; Y68-I70 HydrophobicContact CE2-CD1 3.69Å; Y68-I70 HydrophobicContact CE2-CG1 3.48Å; Y68-I70 VanDerWaalsContact CE2-CG1 3.48Å; Y68-Q113 PolarHBondContact N-O 3.32Å; Y68-Q113 PolarHBondContact O-N 2.9Å; Y68-I308 HydrophobicContact CD2-CD1 4.19Å; Y68-I308 HydrophobicContact CE1-CD1 4.48Å; Y68-I308 HydrophobicContact CE1-CG2 4.4Å; Y68-I308 HydrophobicContact CE2-CD1 3.69Å; Y68-I308 WeakPolarHBondContact OH-CG2 3.41Å; Y68-H310 AromaticContact CZ-CE1 3.71Å; Y68-H310 PolarHBondContact OH-CE1 2.68Å; Y68-H310 PolarHBondContact OH-NE2 3.48Å
69P75.3Confident71.7Confident10 Ų1048 Ų487%0.06525%0.248CC..EExtended strand (participates in β ladder)trans-77.2134.9176.728.5-26.5000110.3I110P69-I110 HydrophobicContact CB-CG2 3.46Å; P69-I110 VanDerWaalsContact CB-CG2 3.46Å
70I74.1Confident70Confident23 Ų2354.5 Ų54.512%0.11828%0.281CS..EExtended strand (participates in β ladder)trans-110.3125.2171.9-62.2-173.5000107.9Y68 T72 I110 N111 Q113Y68-I70 HydrophobicContact CD2-CD1 4.46Å; Y68-I70 HydrophobicContact CD2-CG1 3.83Å; Y68-I70 HydrophobicContact CE2-CD1 3.69Å; Y68-I70 HydrophobicContact CE2-CG1 3.48Å; Y68-I70 VanDerWaalsContact CE2-CG1 3.48Å; I70-T72 HydrophobicContact CG2-CG2 4.3Å; I70-T72 PolarHBondContact O-N 3.37Å; I70-I110 WeakPolarHBondContact O-CA 3.07Å; I70-N111 PolarHBondContact N-O 2.9Å; I70-N111 PolarHBondContact O-N 3.49Å; I70-Q113 HydrophobicContact CD1-CB 3.84Å; I70-Q113 HydrophobicContact CD1-CG 4.47Å; I70-Q113 HydrophobicContact CG1-CB 4.25Å
71Y67.2Low68.4Low118 Ų11862.3 Ų62.346%0.46332%0.318SS..EExtended strand (participates in β ladder)trans-84.6102176-58.1-82.9000108.2L109 I110 Q199Y71-L109 WeakPolarHBondContact CA-O 2.79Å; Y71-I110 HydrophobicContact CD1-CD1 4.47Å; Y71-I110 HydrophobicContact CD1-CG1 3.91Å; Y71-I110 HydrophobicContact CE1-CD1 3.96Å; Y71-I110 HydrophobicContact CE1-CG1 3.89Å; Y71-Q199 PolarHBondContact OH-NE2 3.07Å
72T60.8Low66.7Low50 Ų5065.6 Ų65.631%0.30734%0.336SS..  trans-86.5127.7173.850.60000108.9I70 L74 L109 N111I70-T72 HydrophobicContact CG2-CG2 4.3Å; I70-T72 PolarHBondContact O-N 3.37Å; T72-L74 PolarHBondContact O-N 3.43Å; T72-L109 PolarHBondContact N-O 2.88Å; T72-N111 HydrophobicContact CG2-CB 4.48Å
73N57.9Low65Low112 Ų11269.9 Ų69.960%0.59936%0.363SS*.  trans-77.352.3170.2-65.5-44.7000110.1V75 T76 D77N73-V75 PolarHBondContact O-N 3.35Å; N73-T76 HydrophobicContact CB-CG2 3.99Å; N73-T76 WeakPolarHBondContact CB-OG1 2.93Å; N73-T76 PolarHBondContact O-N 3.36Å; N73-T76 PolarHBondContact O-OG1 2.92Å; N73-D77 PolarHBondContact O-N 3.25Å
74L50.4Low63.4Low77 Ų7775.7 Ų75.740%0.40339%0.391SS..Hα-helixtrans-57.3-25.2179.9-162.175.3000111.3T72 T76 D77 I78T72-L74 PolarHBondContact O-N 3.43Å; L74-T76 VanDerWaalsContact C-N 3.34Å; L74-T76 PolarHBondContact O-N 2.92Å; L74-D77 PolarHBondContact O-N 3.42Å; L74-I78 HydrophobicContact CD2-CD1 4.48Å; L74-I78 HydrophobicContact CG-CD1 4.27Å; L74-I78 WeakPolarHBondContact O-CD1 3.24Å; L74-I78 VanDerWaalsContact O-CG1 3.26Å; L74-I78 WeakPolarHBondContact O-CG1 3.33Å; L74-I78 PolarHBondContact O-N 2.98Å
75V48.7Very low61.6Low78 Ų7879.6 Ų79.647%0.47341%0.409SS..Hα-helixtrans-62.3-35.9171.3-178.40000112.4N73 L79 L109N73-V75 PolarHBondContact O-N 3.35Å; V75-L79 HydrophobicContact CG1-CD1 3.87Å; V75-L79 WeakPolarHBondContact O-CB 3.49Å; V75-L79 WeakPolarHBondContact O-CD1 3.31Å; V75-L79 WeakPolarHBondContact O-CG 3.31Å; V75-L79 PolarHBondContact O-N 3.28Å; V75-L79 VanDerWaalsContact O-N 3.08Å; V75-L109 HydrophobicContact CG2-CD1 3.86Å
76T50.9Low59.7Low74 Ų7480.9 Ų80.945%0.45442%0.42SS..Hα-helixtrans-73.7-33.2176.556.70000112.3N73 L74 L79 L80N73-T76 HydrophobicContact CB-CG2 3.99Å; N73-T76 WeakPolarHBondContact CB-OG1 2.93Å; N73-T76 PolarHBondContact O-N 3.36Å; N73-T76 PolarHBondContact O-OG1 2.92Å; L74-T76 VanDerWaalsContact C-N 3.34Å; L74-T76 PolarHBondContact O-N 2.92Å; T76-L79 PolarHBondContact O-N 3.22Å; T76-L80 WeakPolarHBondContact O-CB 3.08Å; T76-L80 PolarHBondContact O-N 3.45Å
77D48.1Very low57.8Low96 Ų9686 Ų8651%0.51345%0.446SS..Hα-helixtrans-70.5-40.1177.6-62.8-23000110.8N73 L74 L79 L80 E81N73-D77 PolarHBondContact O-N 3.25Å; L74-D77 PolarHBondContact O-N 3.42Å; D77-L79 VanDerWaalsContact C-N 3.28Å; D77-L79 PolarHBondContact O-N 3.36Å; D77-L80 PolarHBondContact O-N 2.96Å; D77-E81 PolarHBondContact O-N 3.48Å
78I50.7Low56.3Low118 Ų11889.4 Ų89.461%0.60546%0.463SS*.Hα-helixtrans-66-31.3173.1-63.5164.5000111.6L74L74-I78 HydrophobicContact CD2-CD1 4.48Å; L74-I78 HydrophobicContact CG-CD1 4.27Å; L74-I78 WeakPolarHBondContact O-CD1 3.24Å; L74-I78 VanDerWaalsContact O-CG1 3.26Å; L74-I78 WeakPolarHBondContact O-CG1 3.33Å; L74-I78 PolarHBondContact O-N 2.98Å
79L51.7Low54.7Low82 Ų8295.2 Ų95.243%0.42949%0.489SS..Hα-helixtrans-79.9-22.3177.7-75.6168.7000113.7V75 T76 D77V75-L79 HydrophobicContact CG1-CD1 3.87Å; V75-L79 WeakPolarHBondContact O-CB 3.49Å; V75-L79 WeakPolarHBondContact O-CD1 3.31Å; V75-L79 WeakPolarHBondContact O-CG 3.31Å; V75-L79 PolarHBondContact O-N 3.28Å; V75-L79 VanDerWaalsContact O-N 3.08Å; T76-L79 PolarHBondContact O-N 3.22Å; D77-L79 VanDerWaalsContact C-N 3.28Å; D77-L79 PolarHBondContact O-N 3.36Å
80L52.9Low53.5Low151 Ų151102.4 Ų102.479%0.79152%0.52SS*.Hα-helixtrans-85.1-25-179.1-155.578.3000112.6T76 D77T76-L80 WeakPolarHBondContact O-CB 3.08Å; T76-L80 PolarHBondContact O-N 3.45Å; D77-L80 PolarHBondContact O-N 2.96Å
81E55.8Low52.4Low166 Ų166107 Ų10778%0.77654%0.544SS*.Hα-helixtrans-88.1-16.4-172.1-152.6153.8-156.600114.2D77D77-E81 PolarHBondContact O-N 3.48Å
82D51.8Low51.3Low70 Ų70107 Ų10737%0.37455%0.548SS..  trans-150.486.9173.3-97.1-36.5000111.7E84 K85D82-E84 PolarHBondContact O-N 3.36Å; D82-E84 VanDerWaalsContact O-N 3.17Å; D82-K85 HydrophobicContact CB-CB 4.1Å; D82-K85 HydrophobicContact CB-CD 4.01Å; D82-K85 HydrophobicContact CB-CG 4.13Å; D82-K85 PolarHBondContact O-N 3.43Å; D82-K85 WeakPolarHBondContact OD2-CD 3.48Å; D82-K85 VanDerWaalsContact OD2-CE 3.29Å; D82-K85 WeakPolarHBondContact OD2-CE 3.49Å; D82-K85 IonicContact OD2-NZ 2.68Å; D82-K85 PolarHBondContact OD2-NZ 3.2Å
83P51.4Low50.4Low92 Ų92108.2 Ų108.260%0.59756%0.558SS**Hα-helixtrans-60.4-27177.723.3-32.5000112.5S86P83-S86 PolarHBondContact O-OG 3.25Å
84E54.9Low50Low160 Ų160110 Ų11075%0.74857%0.566SS**Hα-helixtrans-74.3-30.4179.3-68.8-160.9149.900113.9D82 S86 I88D82-E84 PolarHBondContact O-N 3.36Å; D82-E84 VanDerWaalsContact O-N 3.17Å; E84-S86 VanDerWaalsContact C-N 3.33Å; E84-I88 WeakPolarHBondContact O-CG1 3.46Å; E84-I88 PolarHBondContact O-N 3.03Å
85K50.1Low49.8Very low139 Ų139116 Ų11660%0.60459%0.588SS**Hα-helixtrans-74.3-27.3176.2-72.7179.1-175.7150.10112.3D82 I88 F89D82-K85 HydrophobicContact CB-CB 4.1Å; D82-K85 HydrophobicContact CB-CD 4.01Å; D82-K85 HydrophobicContact CB-CG 4.13Å; D82-K85 PolarHBondContact O-N 3.43Å; D82-K85 WeakPolarHBondContact OD2-CD 3.48Å; D82-K85 VanDerWaalsContact OD2-CE 3.29Å; D82-K85 WeakPolarHBondContact OD2-CE 3.49Å; D82-K85 IonicContact OD2-NZ 2.68Å; D82-K85 PolarHBondContact OD2-NZ 3.2Å; K85-I88 PolarHBondContact O-N 2.91Å; K85-F89 PolarHBondContact O-N 3.31Å; K85-F89 VanDerWaalsContact O-N 3.15Å
86S49.1Very low49.5Very low35 Ų35119 Ų11925%0.24559%0.592CS.*Hα-helixtrans-67.2-38.2175.978.70000112.1P83 E84 I88 F89 F90P83-S86 PolarHBondContact O-OG 3.25Å; E84-S86 VanDerWaalsContact C-N 3.33Å; S86-I88 PolarHBondContact O-N 3.02Å; S86-F89 PolarHBondContact O-N 3.28Å; S86-F90 WeakPolarHBondContact O-CD2 3.38Å; S86-F90 PolarHBondContact O-N 3.49Å; S86-F90 VanDerWaalsContact O-N 3.14Å
87L48.3Very low49Very low113 Ų113123.4 Ų123.459%0.59261%0.605SS**Hα-helixtrans-69.7-35.1178.7-157101.4000111.9F89 N91L87-F89 VanDerWaalsContact C-N 3.34Å; L87-N91 VanDerWaalsContact O-CB 3.27Å; L87-N91 WeakPolarHBondContact O-CB 3.23Å; L87-N91 PolarHBondContact O-N 3.34Å; L87-N91 VanDerWaalsContact O-N 3.09Å
88I51.2Low48.8Very low110 Ų110122 Ų12256%0.56460%0.597SS**Hα-helixtrans-70.6-33.6176.7-58.7164.9000110.7E84 K85 S86 Q92E84-I88 WeakPolarHBondContact O-CG1 3.46Å; E84-I88 PolarHBondContact O-N 3.03Å; K85-I88 PolarHBondContact O-N 2.91Å; S86-I88 PolarHBondContact O-N 3.02Å; I88-Q92 WeakPolarHBondContact O-CG 3.49Å
89F47Very low48Very low125 Ų125125 Ų12555%0.54862%0.615SS.*Hα-helixtrans-71.9-34.9177.5-166.3-96.8000113.2K85 S86 L87 L98K85-F89 PolarHBondContact O-N 3.31Å; K85-F89 VanDerWaalsContact O-N 3.15Å; S86-F89 PolarHBondContact O-N 3.28Å; L87-F89 VanDerWaalsContact C-N 3.34Å; F89-L98 HydrophobicContact CE2-CD1 3.65Å; F89-L98 HydrophobicContact CZ-CD1 3.63Å; F89-L98 HydrophobicContact CZ-CD2 4.31Å
90F51.3Low47.7Very low162 Ų162125.7 Ų125.771%0.71162%0.618SS**Hα-helixtrans-85.9-19.6178.6-80.4-75.3000114.4S86S86-F90 WeakPolarHBondContact O-CD2 3.38Å; S86-F90 PolarHBondContact O-N 3.49Å; S86-F90 VanDerWaalsContact O-N 3.14Å
91N50.3Low47Very low118 Ų118125.7 Ų125.763%0.63161%0.612SS**SBendtrans-93.46.2-179.6-82.3-22.5000115.4L87L87-N91 VanDerWaalsContact O-CB 3.27Å; L87-N91 WeakPolarHBondContact O-CB 3.23Å; L87-N91 PolarHBondContact O-N 3.34Å; L87-N91 VanDerWaalsContact O-N 3.09Å
92Q44.5Very low46.4Very low118 Ų118125.6 Ų125.655%0.55161%0.611SS**SBendtrans-83.2129.1174-68.5-145.4-32.200111.9I88 I94 Y96I88-Q92 WeakPolarHBondContact O-CG 3.49Å; Q92-I94 PolarHBondContact O-N 2.73Å; Q92-Y96 HydrophobicContact CB-CD2 4.26Å; Q92-Y96 HydrophobicContact CB-CE2 4.13Å
93P40.8Very low45.8Very low77 Ų77127.6 Ų127.650%0.562%0.622SS.*  trans-50.5139.7175.1-27.930.8000112.8K95 Y96P93-K95 PolarHBondContact O-N 2.88Å; P93-Y96 HydrophobicContact CB-CE2 3.96Å; P93-Y96 WeakPolarHBondContact CB-OH 3.33Å; P93-Y96 HydrophobicContact CG-CE2 4.13Å; P93-Y96 WeakPolarHBondContact CG-OH 3.33Å; P93-Y96 VanDerWaalsContact O-CD2 3.29Å; P93-Y96 WeakPolarHBondContact O-CD2 3.35Å; P93-Y96 WeakPolarHBondContact O-CE2 3.48Å; P93-Y96 PolarHBondContact O-N 2.9Å
94I50.8Low45.1Very low150 Ų150130.4 Ų130.477%0.76963%0.625SS**G310 helixtrans-58.3-4.3-168-65.5161.8000114.6Q92Q92-I94 PolarHBondContact O-N 2.73Å
95K45.7Very low44.5Very low201 Ų201127.2 Ų127.287%0.87461%0.612SS**G310 helixtrans-88-2.8-176.7-93.7-177.3175.31790116.5P93P93-K95 PolarHBondContact O-N 2.88Å
96Y42.7Very low44.1Very low142 Ų142128.3 Ų128.356%0.55762%0.619SS**G310 helixtrans-129.123.717511.4-90.6000112.6Q92 P93 L98Q92-Y96 HydrophobicContact CB-CD2 4.26Å; Q92-Y96 HydrophobicContact CB-CE2 4.13Å; P93-Y96 HydrophobicContact CB-CE2 3.96Å; P93-Y96 WeakPolarHBondContact CB-OH 3.33Å; P93-Y96 HydrophobicContact CG-CE2 4.13Å; P93-Y96 WeakPolarHBondContact CG-OH 3.33Å; P93-Y96 VanDerWaalsContact O-CD2 3.29Å; P93-Y96 WeakPolarHBondContact O-CD2 3.35Å; P93-Y96 WeakPolarHBondContact O-CE2 3.48Å; P93-Y96 PolarHBondContact O-N 2.9Å; Y96-L98 PolarHBondContact O-N 3.09Å
97K39.6Very low43.9Very low166 Ų166129.1 Ų129.172%0.72263%0.625SS**  trans-68.296.4-179.8-148.4179.5-171.3-177.40110.2
98L43.4Very low43.8Very low67 Ų67126.4 Ų126.435%0.35162%0.615SS.*  trans44.991162.1-89.676.4000115.6F89 Y96 L100 I105F89-L98 HydrophobicContact CE2-CD1 3.65Å; F89-L98 HydrophobicContact CZ-CD1 3.63Å; F89-L98 HydrophobicContact CZ-CD2 4.31Å; Y96-L98 PolarHBondContact O-N 3.09Å; L98-L100 HydrophobicContact CB-CB 4.08Å; L98-L100 HydrophobicContact CD2-CB 3.78Å; L98-L100 HydrophobicContact CG-CB 3.82Å; L98-L100 PolarHBondContact O-N 3.29Å; L98-I105 HydrophobicContact CD2-CD1 3.77Å
99N35.6Very low44Very low182 Ų182124.8 Ų124.897%0.97361%0.608SS**  trans-73.433.1144.9-101.1-40.5000111.3K101N99-K101 PolarHBondContact O-N 2.95Å
100L44.5Very low44.8Very low96 Ų96122.8 Ų122.850%0.50360%0.602SS.*SBendtrans-94.191.6170.1-136.4151.9000104.2L98 Q102L98-L100 HydrophobicContact CB-CB 4.08Å; L98-L100 HydrophobicContact CD2-CB 3.78Å; L98-L100 HydrophobicContact CG-CB 3.82Å; L98-L100 PolarHBondContact O-N 3.29Å; L100-Q102 PolarHBondContact O-N 2.84Å
101K38.7Very low45.7Very low150 Ų150119.9 Ų119.965%0.65259%0.594SS**  trans-18.3107.4175.8-160.5-178.7-174.7-174.60110.1N99 N103 F104N99-K101 PolarHBondContact O-N 2.95Å; K101-N103 HydrophobicContact CD-CB 4.38Å; K101-N103 HydrophobicContact CG-CB 4.04Å; K101-N103 PolarHBondContact O-N 3.34Å; K101-F104 PolarHBondContact O-N 3.38Å
102Q42.4Very low46.8Very low164 Ų164115.3 Ų115.377%0.76657%0.569SS**G310 helixtrans-43.3-19.8178.2-159.8106.9-12.600113L100 F104L100-Q102 PolarHBondContact O-N 2.84Å; Q102-F104 PolarHBondContact O-N 2.99Å
103N39.8Very low48.4Very low112 Ų112112 Ų11260%0.59955%0.553SS**G310 helixtrans-73.7-13.3179.2-52.412.5000115.5K101 S107K101-N103 HydrophobicContact CD-CB 4.38Å; K101-N103 HydrophobicContact CG-CB 4.04Å; K101-N103 PolarHBondContact O-N 3.34Å; N103-S107 PolarHBondContact O-OG 3.39Å; N103-S107 VanDerWaalsContact O-OG 3.05Å
104F37.2Very low50.2Low152 Ų152113.2 Ų113.267%0.66756%0.555SS**G310 helixtrans-98.1-15.4-179.7-159.8-102.1000113.9K101 Q102 S107K101-F104 PolarHBondContact O-N 3.38Å; Q102-F104 PolarHBondContact O-N 2.99Å; F104-S107 PolarHBondContact O-OG 3.36Å
105I41Very low51.7Low93 Ų93109.4 Ų109.448%0.47754%0.536SS..THydrogen-bonded Turntrans-91-21.2-178.3-62.4177.1000111.9L98L98-I105 HydrophobicContact CD2-CD1 3.77Å
106E42.9Very low53.7Low162 Ų162101.3 Ų101.376%0.75750%0.504SS*.G310 helixtrans-78.8-19.5171.5-74.3-163.8155.200113.7S108E106-S108 VanDerWaalsContact C-N 3.3Å; E106-S108 PolarHBondContact O-N 3.27Å
107S44.3Very low55.7Low52 Ų5294.6 Ų94.636%0.36448%0.478SS..G310 helixtrans-80.6-5.7-173.92.20000114.2N103 F104N103-S107 PolarHBondContact O-OG 3.39Å; N103-S107 VanDerWaalsContact O-OG 3.05Å; F104-S107 PolarHBondContact O-OG 3.36Å
108S46.7Very low57.9Low55 Ų5590.1 Ų90.139%0.38546%0.457SS..G310 helixtrans-112.77.6-177.247.50000114.7E106E106-S108 VanDerWaalsContact C-N 3.3Å; E106-S108 PolarHBondContact O-N 3.27Å
109L54.9Low60Low77 Ų7787.5 Ų87.540%0.40344%0.443SS..SBendtrans-101.6-9.1-177.7-138.994.4000114.7Y71 T72 V75Y71-L109 WeakPolarHBondContact CA-O 2.79Å; T72-L109 PolarHBondContact N-O 2.88Å; V75-L109 HydrophobicContact CG2-CD1 3.86Å
110I64.1Low62.4Low83 Ų8382.7 Ų82.743%0.42641%0.414SS..EExtended strand (participates in β ladder)trans-138105.9-173.1-51176.2000109.2P69 I70 Y71P69-I110 HydrophobicContact CB-CG2 3.46Å; P69-I110 VanDerWaalsContact CB-CG2 3.46Å; I70-I110 WeakPolarHBondContact O-CA 3.07Å; Y71-I110 HydrophobicContact CD1-CD1 4.47Å; Y71-I110 HydrophobicContact CD1-CG1 3.91Å; Y71-I110 HydrophobicContact CE1-CD1 3.96Å; Y71-I110 HydrophobicContact CE1-CG1 3.89Å
111N70.4Confident64.3Low101 Ų10182.4 Ų82.454%0.5441%0.409SS..EExtended strand (participates in β ladder)trans-95121172.8-172-0.7000109.6I70 T72 Q113I70-N111 PolarHBondContact N-O 2.9Å; I70-N111 PolarHBondContact O-N 3.49Å; T72-N111 HydrophobicContact CG2-CB 4.48Å; N111-Q113 PolarHBondContact O-N 3.18Å
112I72.7Confident66.6Low22 Ų2282.5 Ų82.511%0.11341%0.41CS..EExtended strand (participates in β ladder)trans-82.9111.4177.6-58.7173.7000108.6M39 L56 I67M39-I112 HydrophobicContact CG-CD1 4.21Å; M39-I112 HydrophobicContact SD-CB 3.96Å; M39-I112 HydrophobicContact SD-CD1 3.96Å; M39-I112 HydrophobicContact SD-CG1 4.45Å; M39-I112 HydrophobicContact SD-CG2 4.36Å; L56-I112 HydrophobicContact CD2-CG2 4.34Å; I67-I112 HydrophobicContact CG2-CG2 4.36Å
113Q78.2Confident68.5Low47 Ų4777 Ų7722%0.2239%0.385CS..EExtended strand (participates in β ladder)trans-85.8120.5174.9-170.8146.713.700110.5I67 Y68 I70 N111 N115 H310I67-Q113 CarbonylContact C-O 3.57Å; I67-Q113 WeakPolarHBondContact CA-O 3.35Å; Y68-Q113 PolarHBondContact N-O 3.32Å; Y68-Q113 PolarHBondContact O-N 2.9Å; I70-Q113 HydrophobicContact CD1-CB 3.84Å; I70-Q113 HydrophobicContact CD1-CG 4.47Å; I70-Q113 HydrophobicContact CG1-CB 4.25Å; N111-Q113 PolarHBondContact O-N 3.18Å; Q113-N115 VanDerWaalsContact C-N 3.34Å; Q113-N115 HydrophobicContact CG-CB 4.06Å; Q113-H310 PolarHBondContact NE2-CE1 3.17Å; Q113-H310 PolarHBondContact NE2-ND1 3.44Å; Q113-H310 PolarHBondContact OE1-CE1 3.14Å; Q113-H310 PolarHBondContact OE1-NE2 3.09Å; Q113-H310 VanDerWaalsContact OE1-NE2 3.12Å
114I78.5Confident70.6Confident104 Ų10471.7 Ų71.753%0.53336%0.357SS..EExtended strand (participates in β ladder)trans-79.4-22.6-179.9-55.7171.4000111.3I67I67-I114 HydrophobicContact CG1-CG2 4.29Å; I67-I114 WeakPolarHBondContact CG1-O 3.45Å
115N82.5Confident72.6Confident70 Ų7066.8 Ų66.837%0.37434%0.341SS..EExtended strand (participates in β ladder)trans-70.3160179.8-66-3.7000111.5Q113 D312Q113-N115 VanDerWaalsContact C-N 3.34Å; Q113-N115 HydrophobicContact CG-CB 4.06Å; N115-D312 PolarHBondContact ND2-OD1 3.24Å
116C87.5Confident74.7Confident31 Ų3163.7 Ų63.721%0.20932%0.324CS..EExtended strand (participates in β ladder)trans-84.1144.2170.5-58.10000110.7R64 R65 C66R64-C116 PolarHBondContact NH2-SG 3.3Å; R65-C116 CarbonylContact O-C 3.56Å; R65-C116 VanDerWaalsContact O-CA 3.31Å; R65-C116 WeakPolarHBondContact O-CA 3.26Å; C66-C116 HydrophobicContact CB-CB 4.04Å; C66-C116 WeakPolarHBondContact CB-SG 3.29Å; C66-C116 WeakPolarHBondContact SG-CB 3.49Å; C66-C116 CovalentContact SG-SG 2.04Å; C66-C116 PolarHBondContact SG-SG 3.28Å
117G84.2Confident76.9Confident0 Ų061 Ų610%031%0.313CS..EExtended strand (participates in β ladder)trans-127.7159.5173.100000111.8R64 R65 H309R64-G117 WeakPolarHBondContact CA-O 3.29Å; R64-G117 WeakPolarHBondContact CG-O 3.31Å; R65-G117 PolarHBondContact N-O 3.18Å; R65-G117 PolarHBondContact O-N 2.85Å; G117-H309 CarbonylContact C-O 3.4Å; G117-H309 VanDerWaalsContact CA-O 3.3Å; G117-H309 WeakPolarHBondContact CA-O 3.35Å
118Y87.2Confident79.1Confident72 Ų7259.4 Ų59.428%0.28230%0.302SS..EExtended strand (participates in β ladder)trans-117.6133-178.5-64.6-91.4000110.9F63 R64 I308 H309 V311F63-Y118 AromaticContact CD2-CD1 3.8Å; F63-Y118 HydrophobicContact CD2-CD1 3.8Å; F63-Y118 HydrophobicContact CD2-CE1 4.35Å; F63-Y118 AromaticContact CE2-CD1 3.76Å; F63-Y118 HydrophobicContact CE2-CD1 3.76Å; F63-Y118 AromaticContact CE2-CE1 3.86Å; F63-Y118 HydrophobicContact CE2-CE1 3.86Å; F63-Y118 CarbonylContact O-C 3.39Å; F63-Y118 WeakPolarHBondContact O-CA 3.32Å; R64-Y118 HydrophobicContact CB-CD1 4Å; R64-Y118 HydrophobicContact CB-CE1 4.07Å; R64-Y118 HydrophobicContact CG-CD1 3.96Å; R64-Y118 HydrophobicContact CG-CE1 3.77Å; R64-Y118 PolarHBondContact NE-OH 3.22Å; Y118-I308 VanDerWaalsContact N-CG2 3.32Å; Y118-I308 CarbonylContact O-C 3.54Å; Y118-I308 WeakPolarHBondContact O-CA 3.18Å; Y118-H309 PolarHBondContact N-O 3.2Å; Y118-H309 PolarHBondContact O-N 3.18Å; Y118-V311 HydrophobicContact CD2-CG2 3.9Å; Y118-V311 HydrophobicContact CE2-CB 4.27Å; Y118-V311 HydrophobicContact CE2-CG2 3.57Å
119Y86.3Confident81.2Confident13 Ų1356.8 Ų56.85%0.05128%0.283CS..EExtended strand (participates in β ladder)trans-72.3137.8174.1-58.7-87.6000110.6L60 F63 R65 E196 R307 I308L60-Y119 HydrophobicContact CD1-CE2 4.2Å; F63-Y119 VanDerWaalsContact C-CD2 3.49Å; F63-Y119 WeakPolarHBondContact O-CD2 3.28Å; F63-Y119 PolarHBondContact O-N 3.48Å; R65-Y119 HydrophobicContact CB-CE2 4.01Å; R65-Y119 WeakPolarHBondContact CD-OH 3.32Å; Y119-E196 WeakPolarHBondContact CE1-OE1 3.3Å; Y119-E196 WeakPolarHBondContact CE1-OE2 3.37Å; Y119-E196 VanDerWaalsContact CZ-OE2 3.31Å; Y119-E196 PolarHBondContact OH-OE2 3.24Å; Y119-R307 VanDerWaalsContact CA-O 3.23Å; Y119-R307 WeakPolarHBondContact CA-O 3.27Å; Y119-I308 HydrophobicContact CD1-CD1 4.31Å; Y119-I308 HydrophobicContact CD1-CG1 3.79Å; Y119-I308 HydrophobicContact CE1-CD1 3.73Å; Y119-I308 HydrophobicContact CE1-CG1 3.75Å
120E86.7Confident83Confident80 Ų8056 Ų5637%0.37428%0.275SS..  trans-62.1147160-63.1-170.7159.900109.5F122 N123 I124 R307 H309E120-F122 PolarHBondContact O-N 2.95Å; E120-F122 VanDerWaalsContact O-N 3.11Å; E120-N123 HydrophobicContact CB-CB 4.09Å; E120-N123 CarbonylContact O-C 3.07Å; E120-N123 WeakPolarHBondContact O-CA 3.41Å; E120-N123 PolarHBondContact O-N 3.48Å; E120-N123 PolarHBondContact OE2-ND2 3.41Å; E120-I124 PolarHBondContact O-N 3.33Å; E120-R307 PolarHBondContact N-O 3.49Å; E120-H309 VanDerWaalsContact CD-NE2 3.27Å; E120-H309 WeakPolarHBondContact CG-CD2 3.46Å; E120-H309 WeakPolarHBondContact CG-NE2 3.21Å; E120-H309 IonicContact OE1-CD2 3.03Å; E120-H309 IonicContact OE1-CE1 2.7Å; E120-H309 PolarHBondContact OE1-CE1 3.15Å; E120-H309 IonicContact OE1-NE2 3.79Å; E120-H309 PolarHBondContact OE1-NE2 3.49Å
121F85.3Confident84.4Confident90 Ų9055.8 Ų55.840%0.39527%0.274SS..G310 helixtrans-54.6-37.3-177.3-179.7-99.9000113.3N123 I124 R130 L133 I134F121-N123 VanDerWaalsContact C-N 3.32Å; F121-I124 HydrophobicContact CD2-CD1 4.32Å; F121-R130 HydrophobicContact CE2-CB 4.35Å; F121-R130 HydrophobicContact CZ-CB 4.36Å; F121-L133 HydrophobicContact CD2-CD2 4.14Å; F121-L133 HydrophobicContact CE2-CD2 4.07Å; F121-I134 HydrophobicContact CE2-CD1 4.32Å; F121-I134 HydrophobicContact CE2-CG1 4.13Å; F121-I134 HydrophobicContact CZ-CD1 3.97Å; F121-I134 HydrophobicContact CZ-CG1 4.28Å
122F85.4Confident85.5Confident153 Ų15351 Ų5167%0.67125%0.249SC*.G310 helixtrans-79.1-12.7177.7-66.9-73.2000114.4E120 R130E120-F122 PolarHBondContact O-N 2.95Å; E120-F122 VanDerWaalsContact O-N 3.11Å; F122-R130 PolarHBondContact O-NH1 3.3Å; F122-R130 PolarHBondContact O-NH2 3.32Å
123N83.4Confident86.5Confident47 Ų4750.9 Ų50.925%0.25125%0.248SC..G310 helixtrans-107.51-175.8-68.2-23.7000113.4E120 F121 P306 R307E120-N123 HydrophobicContact CB-CB 4.09Å; E120-N123 CarbonylContact O-C 3.07Å; E120-N123 WeakPolarHBondContact O-CA 3.41Å; E120-N123 PolarHBondContact O-N 3.48Å; E120-N123 PolarHBondContact OE2-ND2 3.41Å; F121-N123 VanDerWaalsContact C-N 3.32Å; N123-P306 PolarHBondContact ND2-O 2.99Å; N123-R307 HydrophobicContact CB-CB 3.77Å; N123-R307 HydrophobicContact CB-CG 3.83Å
124I84.2Confident87.3Confident2 Ų252.2 Ų52.21%0.0126%0.256CS..  trans-57.6127.3170-65.2168.9000108.4E120 F121 H126 W129 R130 L133E120-I124 PolarHBondContact O-N 3.33Å; F121-I124 HydrophobicContact CD2-CD1 4.32Å; I124-H126 PolarHBondContact O-N 2.95Å; I124-H126 VanDerWaalsContact O-N 3.11Å; I124-W129 HydrophobicContact CG2-CB 3.63Å; I124-W129 HydrophobicContact CG2-CE3 4.26Å; I124-R130 HydrophobicContact CB-CG 3.79Å; I124-R130 HydrophobicContact CD1-CG 4.06Å; I124-R130 HydrophobicContact CG1-CG 4.49Å; I124-R130 HydrophobicContact CG2-CG 3.9Å; I124-R130 PolarHBondContact O-NE 2.86Å; I124-R130 PolarHBondContact O-NH2 3.45Å; I124-L133 HydrophobicContact CD1-CD1 4.46Å
125P79Confident88.1Confident49 Ų4948.6 Ų48.632%0.31824%0.238SC..SBendtrans-61.9-28.5-165.521.9-34.3000113.6W129P125-W129 HydrophobicContact CG-CE3 3.79Å; P125-W129 HydrophobicContact CG-CZ3 3.64Å
126H84.7Confident88.7Confident28 Ų2845.4 Ų45.413%0.1322%0.22CC..  trans-125.2138.4-176.7-154.6-90.6000113.2I124 T128 W129 R130 N194I124-H126 PolarHBondContact O-N 2.95Å; I124-H126 VanDerWaalsContact O-N 3.11Å; H126-T128 VanDerWaalsContact C-N 3.3Å; H126-T128 PolarHBondContact CE1-OG1 3.47Å; H126-T128 WeakPolarHBondContact ND1-CB 3.29Å; H126-T128 PolarHBondContact ND1-N 2.94Å; H126-T128 PolarHBondContact ND1-OG1 2.93Å; H126-T128 PolarHBondContact O-N 3.28Å; H126-W129 HydrophobicContact CB-CB 4.4Å; H126-W129 HydrophobicContact CB-CD2 4.34Å; H126-W129 HydrophobicContact CB-CG 4.1Å; H126-W129 WeakPolarHBondContact O-CB 3.38Å; H126-W129 PolarHBondContact O-N 2.91Å; H126-W129 VanDerWaalsContact O-N 3.14Å; H126-R130 PolarHBondContact O-N 2.93Å; H126-N194 WeakPolarHBondContact CB-OD1 3.48Å; H126-N194 PolarHBondContact CD2-OD1 3.39Å; H126-N194 VanDerWaalsContact CD2-OD1 3.26Å
127I88.7Confident89.1Confident104 Ų10447.6 Ų47.653%0.53323%0.229SC..Hα-helixtrans-60.7-39.3175.6-173.759.1000112.1W129 R130 I131I127-W129 PolarHBondContact O-N 3.13Å; I127-R130 HydrophobicContact CD1-CB 4.46Å; I127-R130 WeakPolarHBondContact O-CB 3.27Å; I127-R130 PolarHBondContact O-N 3.46Å; I127-I131 HydrophobicContact CG1-CD1 4.3Å; I127-I131 PolarHBondContact O-N 2.94Å
128T91.1Very high89.7Confident19 Ų1951.6 Ų51.612%0.11725%0.25CC..Hα-helixtrans-60-33.5177.1-540000112.5H126 S132 L186 I189H126-T128 VanDerWaalsContact C-N 3.3Å; H126-T128 PolarHBondContact CE1-OG1 3.47Å; H126-T128 WeakPolarHBondContact ND1-CB 3.29Å; H126-T128 PolarHBondContact ND1-N 2.94Å; H126-T128 PolarHBondContact ND1-OG1 2.93Å; H126-T128 PolarHBondContact O-N 3.28Å; T128-S132 WeakPolarHBondContact O-CB 3.48Å; T128-S132 PolarHBondContact O-N 3.34Å; T128-L186 HydrophobicContact CG2-CB 3.53Å; T128-L186 HydrophobicContact CG2-CD1 4.48Å; T128-L186 HydrophobicContact CG2-CD2 3.79Å; T128-L186 HydrophobicContact CG2-CG 4.09Å; T128-L186 WeakPolarHBondContact CG2-O 3.34Å; T128-I189 HydrophobicContact CG2-CG2 4.46Å
129W90.3Very high90.1Very high0 Ų048.2 Ų48.20%024%0.236CC..Hα-helixtrans-72.5-35175.9-70.14.2000112L60 I124 P125 H126 I127 S132 L133 F187 W191 I197L60-W129 HydrophobicContact CD2-CH2 3.66Å; L60-W129 HydrophobicContact CD2-CZ3 4.2Å; I124-W129 HydrophobicContact CG2-CB 3.63Å; I124-W129 HydrophobicContact CG2-CE3 4.26Å; P125-W129 HydrophobicContact CG-CE3 3.79Å; P125-W129 HydrophobicContact CG-CZ3 3.64Å; H126-W129 HydrophobicContact CB-CB 4.4Å; H126-W129 HydrophobicContact CB-CD2 4.34Å; H126-W129 HydrophobicContact CB-CG 4.1Å; H126-W129 WeakPolarHBondContact O-CB 3.38Å; H126-W129 PolarHBondContact O-N 2.91Å; H126-W129 VanDerWaalsContact O-N 3.14Å; I127-W129 PolarHBondContact O-N 3.13Å; W129-S132 PolarHBondContact O-N 3.48Å; W129-L133 VanDerWaalsContact O-CB 3.31Å; W129-L133 WeakPolarHBondContact O-CB 3.39Å; W129-L133 PolarHBondContact O-N 3.4Å; W129-F187 HydrophobicContact CZ2-CE2 4.12Å; W129-F187 AromaticContact NE1-CD2 3.95Å; W129-F187 PolarHBondContact NE1-O 3.09Å; W129-W191 AromaticContact CZ2-CD1 3.9Å; W129-I197 HydrophobicContact CH2-CD1 3.38Å; W129-I197 HydrophobicContact CH2-CG1 3.71Å; W129-I197 HydrophobicContact CZ2-CD1 3.24Å; W129-I197 HydrophobicContact CZ2-CG1 4.11Å
130R93.1Very high90.6Very high60 Ų6048.4 Ų48.423%0.22624%0.24CC..Hα-helixtrans-62.2-47.3172-56.6179.1-164.4-168.8-1.7111.2F121 F122 I124 H126 I127 L133 I134F121-R130 HydrophobicContact CE2-CB 4.35Å; F121-R130 HydrophobicContact CZ-CB 4.36Å; F122-R130 PolarHBondContact O-NH1 3.3Å; F122-R130 PolarHBondContact O-NH2 3.32Å; I124-R130 HydrophobicContact CB-CG 3.79Å; I124-R130 HydrophobicContact CD1-CG 4.06Å; I124-R130 HydrophobicContact CG1-CG 4.49Å; I124-R130 HydrophobicContact CG2-CG 3.9Å; I124-R130 PolarHBondContact O-NE 2.86Å; I124-R130 PolarHBondContact O-NH2 3.45Å; H126-R130 PolarHBondContact O-N 2.93Å; I127-R130 HydrophobicContact CD1-CB 4.46Å; I127-R130 WeakPolarHBondContact O-CB 3.27Å; I127-R130 PolarHBondContact O-N 3.46Å; R130-L133 PolarHBondContact O-N 2.94Å; R130-I134 WeakPolarHBondContact O-CG1 3.5Å; R130-I134 PolarHBondContact O-N 2.91Å
131I93.5Very high91Very high80 Ų8048.5 Ų48.541%0.4125%0.248SC..Hα-helixtrans-60.7-48.4176.3-64170.4000110I127 L133 I134 L135 L186I127-I131 HydrophobicContact CG1-CD1 4.3Å; I127-I131 PolarHBondContact O-N 2.94Å; I131-L133 VanDerWaalsContact C-N 3.29Å; I131-L133 PolarHBondContact O-N 2.98Å; I131-I134 PolarHBondContact O-N 3.36Å; I131-L135 HydrophobicContact CG2-CD1 3.99Å; I131-L135 HydrophobicContact CG2-CG 4.27Å; I131-L135 VanDerWaalsContact O-CG 3.31Å; I131-L135 WeakPolarHBondContact O-CG 3.44Å; I131-L135 PolarHBondContact O-N 3.35Å; I131-L186 HydrophobicContact CG2-CD1 3.89Å
132S93.4Very high91.5Very high0 Ų046.4 Ų46.40%024%0.241CC..Hα-helixtrans-57.4-41.5179.1-169.90000112.1T128 W129 L135 L136 C183T128-S132 WeakPolarHBondContact O-CB 3.48Å; T128-S132 PolarHBondContact O-N 3.34Å; W129-S132 PolarHBondContact O-N 3.48Å; S132-L135 PolarHBondContact O-N 2.91Å; S132-L136 WeakPolarHBondContact O-CB 3.4Å; S132-L136 PolarHBondContact O-N 3.11Å; S132-C183 VanDerWaalsContact OG-CA 3.32Å; S132-C183 WeakPolarHBondContact OG-CA 3.49Å; S132-C183 WeakPolarHBondContact OG-CB 3.35Å; S132-C183 PolarHBondContact OG-O 2.85Å; S132-C183 PolarHBondContact OG-SG 3.3Å
133L93.3Very high92Very high19 Ų1939.1 Ų39.110%0.09921%0.209CC..Hα-helixtrans-64.1-46.1176.8179.3134.5000112.2L62 F63 F121 I124 W129 R130 I131 L135 L136 I137L62-L133 HydrophobicContact CB-CD1 4.39Å; L62-L133 HydrophobicContact CD2-CB 3.9Å; F63-L133 HydrophobicContact CB-CD1 3.52Å; F63-L133 HydrophobicContact CD1-CD1 3.46Å; F63-L133 VanDerWaalsContact CD1-CD1 3.46Å; F63-L133 HydrophobicContact CE1-CD1 4.41Å; F63-L133 HydrophobicContact CG-CD1 3.72Å; F121-L133 HydrophobicContact CD2-CD2 4.14Å; F121-L133 HydrophobicContact CE2-CD2 4.07Å; I124-L133 HydrophobicContact CD1-CD1 4.46Å; W129-L133 VanDerWaalsContact O-CB 3.31Å; W129-L133 WeakPolarHBondContact O-CB 3.39Å; W129-L133 PolarHBondContact O-N 3.4Å; R130-L133 PolarHBondContact O-N 2.94Å; I131-L133 VanDerWaalsContact C-N 3.29Å; I131-L133 PolarHBondContact O-N 2.98Å; L133-L135 VanDerWaalsContact C-N 3.34Å; L133-L135 PolarHBondContact O-N 3.41Å; L133-L136 PolarHBondContact O-N 2.67Å; L133-I137 HydrophobicContact CD2-CD1 3.52Å; L133-I137 HydrophobicContact CG-CD1 3.94Å; L133-I137 VanDerWaalsContact O-CG1 3.29Å; L133-I137 WeakPolarHBondContact O-CG1 3.45Å; L133-I137 PolarHBondContact O-N 3.13Å
134I94.9Very high92.6Very high75 Ų7540.4 Ų40.439%0.38521%0.213SC..Hα-helixtrans-60.1-47176.5-65.1166.7000110.2F121 R130 I131 L136 I137 I138F121-I134 HydrophobicContact CE2-CD1 4.32Å; F121-I134 HydrophobicContact CE2-CG1 4.13Å; F121-I134 HydrophobicContact CZ-CD1 3.97Å; F121-I134 HydrophobicContact CZ-CG1 4.28Å; R130-I134 WeakPolarHBondContact O-CG1 3.5Å; R130-I134 PolarHBondContact O-N 2.91Å; I131-I134 PolarHBondContact O-N 3.36Å; I134-L136 VanDerWaalsContact C-N 3.31Å; I134-L136 PolarHBondContact O-N 2.92Å; I134-I137 PolarHBondContact O-N 3.17Å; I134-I138 HydrophobicContact CG2-CD1 3.63Å; I134-I138 HydrophobicContact CG2-CG1 4.29Å; I134-I138 VanDerWaalsContact O-CG1 3.31Å; I134-I138 WeakPolarHBondContact O-CG1 3.38Å; I134-I138 PolarHBondContact O-N 3.47Å
135L96Very high93.2Very high29 Ų2946.5 Ų46.515%0.15224%0.239CC..Hα-helixtrans-59.4-43.1178.8-69.9178.6000111.6I131 S132 L133 S139 M179 L182 L186I131-L135 HydrophobicContact CG2-CD1 3.99Å; I131-L135 HydrophobicContact CG2-CG 4.27Å; I131-L135 VanDerWaalsContact O-CG 3.31Å; I131-L135 WeakPolarHBondContact O-CG 3.44Å; I131-L135 PolarHBondContact O-N 3.35Å; S132-L135 PolarHBondContact O-N 2.91Å; L133-L135 VanDerWaalsContact C-N 3.34Å; L133-L135 PolarHBondContact O-N 3.41Å; L135-S139 WeakPolarHBondContact O-CB 2.97Å; L135-S139 PolarHBondContact O-N 2.71Å; L135-S139 PolarHBondContact O-OG 2.98Å; L135-M179 HydrophobicContact CD2-SD 3.62Å; L135-L182 HydrophobicContact CD1-CD2 3.81Å; L135-L182 HydrophobicContact CD1-CG 4.04Å; L135-L186 HydrophobicContact CD1-CD1 3.84Å
136L95.1Very high93.8Very high3 Ų344.6 Ų44.62%0.01623%0.226CC..Hα-helixtrans-66.2-42.1178.7-170.662.7000112C23 W28 S132 L133 I134 S139 C140 I180 T222C23-L136 HydrophobicContact CB-CD2 3.82Å; C23-L136 HydrophobicContact CB-CG 4.24Å; W28-L136 HydrophobicContact CH2-CD2 4.33Å; W28-L136 HydrophobicContact CZ2-CD2 4.05Å; S132-L136 WeakPolarHBondContact O-CB 3.4Å; S132-L136 PolarHBondContact O-N 3.11Å; L133-L136 PolarHBondContact O-N 2.67Å; I134-L136 VanDerWaalsContact C-N 3.31Å; I134-L136 PolarHBondContact O-N 2.92Å; L136-S139 PolarHBondContact O-N 2.94Å; L136-C140 WeakPolarHBondContact O-CB 3.44Å; L136-C140 PolarHBondContact O-N 3.46Å; L136-I180 HydrophobicContact CD1-CG1 4.33Å; L136-T222 HydrophobicContact CD1-CG2 4.07Å
137I95.1Very high94.2Very high77 Ų7743.2 Ų43.240%0.39522%0.22SC..Hα-helixtrans-63.4-49176.6-69.3169.3000110.7L133 I134 S139 C140 C141L133-I137 HydrophobicContact CD2-CD1 3.52Å; L133-I137 HydrophobicContact CG-CD1 3.94Å; L133-I137 VanDerWaalsContact O-CG1 3.29Å; L133-I137 WeakPolarHBondContact O-CG1 3.45Å; L133-I137 PolarHBondContact O-N 3.13Å; I134-I137 PolarHBondContact O-N 3.17Å; I137-S139 VanDerWaalsContact C-N 3.27Å; I137-S139 PolarHBondContact O-N 2.87Å; I137-C140 WeakPolarHBondContact O-CB 3.43Å; I137-C140 PolarHBondContact O-N 2.98Å; I137-C140 VanDerWaalsContact O-N 3.17Å; I137-C141 PolarHBondContact O-N 3.07Å; I137-C141 PolarHBondContact O-SG 3.36Å; I137-C141 VanDerWaalsContact O-SG 3.36Å
138I96.3Very high94.4Very high83 Ų8343.7 Ų43.743%0.42622%0.218SC..Hα-helixtrans-58-44178.1-69.6171.1000110.5I134 C141 N142I134-I138 HydrophobicContact CG2-CD1 3.63Å; I134-I138 HydrophobicContact CG2-CG1 4.29Å; I134-I138 VanDerWaalsContact O-CG1 3.31Å; I134-I138 WeakPolarHBondContact O-CG1 3.38Å; I134-I138 PolarHBondContact O-N 3.47Å; I138-C141 PolarHBondContact O-N 2.93Å; I138-N142 VanDerWaalsContact O-CB 3.32Å; I138-N142 WeakPolarHBondContact O-CB 3.35Å; I138-N142 PolarHBondContact O-N 2.74Å
139S96.8Very high94.3Very high1 Ų145 Ų451%0.00723%0.225CC..Hα-helixtrans-62.5-44.8177.7-55.50000111.6L135 L136 I137 N142 L143 M179L135-S139 WeakPolarHBondContact O-CB 2.97Å; L135-S139 PolarHBondContact O-N 2.71Å; L135-S139 PolarHBondContact O-OG 2.98Å; L136-S139 PolarHBondContact O-N 2.94Å; I137-S139 VanDerWaalsContact C-N 3.27Å; I137-S139 PolarHBondContact O-N 2.87Å; S139-N142 PolarHBondContact O-N 3.39Å; S139-L143 WeakPolarHBondContact O-CB 3.21Å; S139-L143 VanDerWaalsContact O-CG 3.27Å; S139-L143 WeakPolarHBondContact O-CG 3.4Å; S139-L143 PolarHBondContact O-N 2.91Å; S139-M179 WeakPolarHBondContact OG-CB 3.34Å
140C96.2Very high94.2Very high18 Ų1845.2 Ų45.212%0.12223%0.225CC..Hα-helixtrans-61.1-47.9178-171.90000111.7L136 I137 N142 L143 F144L136-C140 WeakPolarHBondContact O-CB 3.44Å; L136-C140 PolarHBondContact O-N 3.46Å; I137-C140 WeakPolarHBondContact O-CB 3.43Å; I137-C140 PolarHBondContact O-N 2.98Å; I137-C140 VanDerWaalsContact O-N 3.17Å; C140-N142 VanDerWaalsContact C-N 3.33Å; C140-N142 PolarHBondContact O-N 3.42Å; C140-L143 PolarHBondContact O-N 3.3Å; C140-F144 WeakPolarHBondContact O-CD2 3.43Å; C140-F144 PolarHBondContact O-N 2.94Å
141C96.4Very high94Very high82 Ų8244.2 Ų44.255%0.55423%0.228SC*.Hα-helixtrans-59.6-44175.9-67.60000111.7I137 I138 F145I137-C141 PolarHBondContact O-N 3.07Å; I137-C141 PolarHBondContact O-SG 3.36Å; I137-C141 VanDerWaalsContact O-SG 3.36Å; I138-C141 PolarHBondContact O-N 2.93Å; C141-F145 VanDerWaalsContact O-CB 3.31Å; C141-F145 WeakPolarHBondContact O-CB 3.43Å; C141-F145 PolarHBondContact O-N 2.91Å
142N95.3Very high93.6Very high46 Ų4645.2 Ų45.225%0.24623%0.229CC..Hα-helixtrans-63.1-44177.7-167.9-82.6000111.7I138 S139 C140 F145 L146 G172 S176I138-N142 VanDerWaalsContact O-CB 3.32Å; I138-N142 WeakPolarHBondContact O-CB 3.35Å; I138-N142 PolarHBondContact O-N 2.74Å; S139-N142 PolarHBondContact O-N 3.39Å; C140-N142 VanDerWaalsContact C-N 3.33Å; C140-N142 PolarHBondContact O-N 3.42Å; N142-F145 PolarHBondContact O-N 3.45Å; N142-L146 WeakPolarHBondContact O-CB 3.34Å; N142-L146 VanDerWaalsContact O-CG 3.27Å; N142-L146 WeakPolarHBondContact O-CG 3.32Å; N142-L146 PolarHBondContact O-N 2.81Å; N142-L146 WeakPolarHBondContact OD1-CD1 3.39Å; N142-G172 PolarHBondContact OD1-O 3.27Å; N142-S176 WeakPolarHBondContact CB-OG 3.33Å; N142-S176 VanDerWaalsContact CG-OG 3.3Å; N142-S176 PolarHBondContact OD1-OG 2.89Å
143L96.2Very high93.1Very high0 Ų047.5 Ų47.50%024%0.241CC..Hα-helixtrans-62.4-44.2178-74.8173.6000113.1T15 A16 C19 S139 C140 L146 S147 L173 I180T15-L143 HydrophobicContact CG2-CD1 3.93Å; T15-L143 HydrophobicContact CG2-CD2 3.91Å; A16-L143 HydrophobicContact CB-CB 4.15Å; C19-L143 HydrophobicContact CB-CD1 3.83Å; S139-L143 WeakPolarHBondContact O-CB 3.21Å; S139-L143 VanDerWaalsContact O-CG 3.27Å; S139-L143 WeakPolarHBondContact O-CG 3.4Å; S139-L143 PolarHBondContact O-N 2.91Å; C140-L143 PolarHBondContact O-N 3.3Å; L143-L146 PolarHBondContact O-N 3Å; L143-S147 VanDerWaalsContact O-CB 3.31Å; L143-S147 WeakPolarHBondContact O-CB 3.49Å; L143-S147 PolarHBondContact O-N 3.38Å; L143-S147 PolarHBondContact O-OG 3.44Å; L143-L173 HydrophobicContact CD2-CD2 3.86Å; L143-I180 HydrophobicContact CD1-CD1 3.79Å
144F96.2Very high92.4Very high74 Ų7447 Ų4733%0.32524%0.24SC..Hα-helixtrans-65.5-43175.8-85-66.9000112W13 A16 T20 C140 L146 S147 F148W13-F144 HydrophobicContact CZ3-CD1 4.21Å; W13-F144 HydrophobicContact CZ3-CE1 4.08Å; A16-F144 HydrophobicContact CB-CD1 4.14Å; A16-F144 HydrophobicContact CB-CE1 4.06Å; A16-F144 HydrophobicContact CB-CG 4.41Å; A16-F144 HydrophobicContact CB-CZ 4.29Å; T20-F144 WeakPolarHBondContact OG1-CE2 3.38Å; T20-F144 VanDerWaalsContact OG1-CZ 3.31Å; T20-F144 WeakPolarHBondContact OG1-CZ 3.27Å; C140-F144 WeakPolarHBondContact O-CD2 3.43Å; C140-F144 PolarHBondContact O-N 2.94Å; F144-L146 VanDerWaalsContact C-N 3.34Å; F144-L146 PolarHBondContact O-N 3.32Å; F144-S147 PolarHBondContact O-N 3.14Å; F144-F148 WeakPolarHBondContact O-CB 3.11Å; F144-F148 PolarHBondContact O-N 2.81Å
145F94.9Very high91.3Very high129 Ų12948.2 Ų48.257%0.56625%0.254SS*.Hα-helixtrans-58.6-46.7176.6179.1-105.6000111.6C141 N142 F148 I149C141-F145 VanDerWaalsContact O-CB 3.31Å; C141-F145 WeakPolarHBondContact O-CB 3.43Å; C141-F145 PolarHBondContact O-N 2.91Å; N142-F145 PolarHBondContact O-N 3.45Å; F145-F148 PolarHBondContact O-N 3.18Å; F145-I149 HydrophobicContact CD1-CD1 3.76Å; F145-I149 HydrophobicContact CD2-CD1 4.36Å; F145-I149 HydrophobicContact CE1-CD1 3.23Å; F145-I149 HydrophobicContact CE1-CG1 4.46Å; F145-I149 HydrophobicContact CE2-CD1 3.91Å; F145-I149 HydrophobicContact CG-CD1 4.31Å; F145-I149 HydrophobicContact CZ-CD1 3.34Å; F145-I149 HydrophobicContact CZ-CG1 4.4Å; F145-I149 WeakPolarHBondContact O-CG1 3.31Å; F145-I149 PolarHBondContact O-N 3.33Å
146L93.4Very high90.2Very high9 Ų954.8 Ų54.85%0.04728%0.278CS..Hα-helixtrans-65.4-41.4176.2-69.3176.9000112.6N142 L143 F144 F148 I149 L150 C169 G172 L173N142-L146 WeakPolarHBondContact O-CB 3.34Å; N142-L146 VanDerWaalsContact O-CG 3.27Å; N142-L146 WeakPolarHBondContact O-CG 3.32Å; N142-L146 PolarHBondContact O-N 2.81Å; N142-L146 WeakPolarHBondContact OD1-CD1 3.39Å; L143-L146 PolarHBondContact O-N 3Å; F144-L146 VanDerWaalsContact C-N 3.34Å; F144-L146 PolarHBondContact O-N 3.32Å; L146-F148 VanDerWaalsContact C-N 3.31Å; L146-F148 PolarHBondContact O-N 3.22Å; L146-I149 PolarHBondContact O-N 2.86Å; L146-L150 WeakPolarHBondContact O-CB 3.36Å; L146-L150 WeakPolarHBondContact O-CD1 3.48Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.37Å; L146-L150 PolarHBondContact O-N 2.91Å; L146-C169 HydrophobicContact CD2-CB 4.5Å; L146-G172 VanDerWaalsContact CD1-C 3.41Å; L146-L173 HydrophobicContact CD1-CD2 4.14Å; L146-L173 HydrophobicContact CD1-CG 4.02Å
147S92.7Very high88.6Confident0 Ų058.6 Ų58.60%030%0.298CS..Hα-helixtrans-63.2-40178.6-60.10000111.5T12 L143 F144 S151T12-S147 PolarHBondContact O-OG 3.42Å; L143-S147 VanDerWaalsContact O-CB 3.31Å; L143-S147 WeakPolarHBondContact O-CB 3.49Å; L143-S147 PolarHBondContact O-N 3.38Å; L143-S147 PolarHBondContact O-OG 3.44Å; F144-S147 PolarHBondContact O-N 3.14Å; S147-S151 WeakPolarHBondContact O-CB 3.47Å; S147-S151 PolarHBondContact O-N 2.66Å
148F92.5Very high86.8Confident113 Ų11365.1 Ų65.150%0.49632%0.324SS..Hα-helixtrans-64.9-52.2173.6-173.8-91.5000110.9F144 F145 L146 L150 S151 F152F144-F148 WeakPolarHBondContact O-CB 3.11Å; F144-F148 PolarHBondContact O-N 2.81Å; F145-F148 PolarHBondContact O-N 3.18Å; L146-F148 VanDerWaalsContact C-N 3.31Å; L146-F148 PolarHBondContact O-N 3.22Å; F148-L150 VanDerWaalsContact C-N 3.28Å; F148-L150 PolarHBondContact O-N 3.42Å; F148-S151 WeakPolarHBondContact O-CB 3.11Å; F148-S151 PolarHBondContact O-N 3.09Å; F148-S151 VanDerWaalsContact O-N 3.07Å; F148-F152 AromaticContact CD1-CD2 3.69Å; F148-F152 HydrophobicContact CD1-CD2 3.69Å; F148-F152 AromaticContact CD1-CE2 3.83Å; F148-F152 HydrophobicContact CD1-CE2 3.83Å; F148-F152 HydrophobicContact CD2-CD2 4.07Å; F148-F152 AromaticContact CD2-CE2 3.56Å; F148-F152 HydrophobicContact CD2-CE2 3.56Å; F148-F152 AromaticContact CE1-CD2 3.53Å; F148-F152 HydrophobicContact CE1-CD2 3.53Å; F148-F152 HydrophobicContact CE1-CE1 4.47Å; F148-F152 AromaticContact CE1-CE2 3.36Å; F148-F152 HydrophobicContact CE1-CE2 3.36Å; F148-F152 HydrophobicContact CE1-CG 4.22Å; F148-F152 AromaticContact CE1-CZ 3.84Å; F148-F152 HydrophobicContact CE1-CZ 3.84Å; F148-F152 AromaticContact CE2-CD2 3.96Å; F148-F152 HydrophobicContact CE2-CD2 3.96Å; F148-F152 AromaticContact CE2-CE2 3.08Å; F148-F152 HydrophobicContact CE2-CE2 3.08Å; F148-F152 AromaticContact CE2-CZ 3.65Å; F148-F152 HydrophobicContact CE2-CZ 3.65Å; F148-F152 AromaticContact CG-CD2 3.97Å; F148-F152 HydrophobicContact CG-CD2 3.97Å; F148-F152 AromaticContact CG-CE2 3.93Å; F148-F152 HydrophobicContact CG-CE2 3.93Å; F148-F152 AromaticContact CZ-CD2 3.69Å; F148-F152 HydrophobicContact CZ-CD2 3.69Å; F148-F152 HydrophobicContact CZ-CE1 4.19Å; F148-F152 AromaticContact CZ-CE2 2.97Å; F148-F152 HydrophobicContact CZ-CE2 2.97Å; F148-F152 AromaticContact CZ-CZ 3.25Å; F148-F152 HydrophobicContact CZ-CZ 3.25Å; F148-F152 VanDerWaalsContact O-CD2 3.26Å; F148-F152 WeakPolarHBondContact O-CD2 3.15Å; F148-F152 PolarHBondContact O-N 3.33Å
149I89Confident84.9Confident48 Ų4866.4 Ų66.425%0.24633%0.326CS..Hα-helixtrans-55.1-45.4178.1-76.3177.2000111.5F145 L146 F152 I153F145-I149 HydrophobicContact CD1-CD1 3.76Å; F145-I149 HydrophobicContact CD2-CD1 4.36Å; F145-I149 HydrophobicContact CE1-CD1 3.23Å; F145-I149 HydrophobicContact CE1-CG1 4.46Å; F145-I149 HydrophobicContact CE2-CD1 3.91Å; F145-I149 HydrophobicContact CG-CD1 4.31Å; F145-I149 HydrophobicContact CZ-CD1 3.34Å; F145-I149 HydrophobicContact CZ-CG1 4.4Å; F145-I149 WeakPolarHBondContact O-CG1 3.31Å; F145-I149 PolarHBondContact O-N 3.33Å; L146-I149 PolarHBondContact O-N 2.86Å; I149-F152 PolarHBondContact O-N 2.73Å; I149-I153 HydrophobicContact CG2-CD1 3.47Å; I149-I153 VanDerWaalsContact CG2-CD1 3.47Å; I149-I153 HydrophobicContact CG2-CG1 4.35Å; I149-I153 WeakPolarHBondContact O-CB 3.29Å; I149-I153 WeakPolarHBondContact O-CD1 3.21Å; I149-I153 VanDerWaalsContact O-CG1 3.22Å; I149-I153 WeakPolarHBondContact O-CG1 3.3Å; I149-I153 PolarHBondContact O-N 3.48Å
150L88.3Confident82.8Confident3 Ų371.4 Ų71.42%0.01635%0.352CS..Hα-helixtrans-56.7-61.6173.6-74.8160.8000108.5W5 W8 T12 L146 F148 F152 I153 G154W5-L150 HydrophobicContact CH2-CB 4.4Å; W5-L150 WeakPolarHBondContact CH2-O 3.4Å; W5-L150 HydrophobicContact CZ2-CB 3.92Å; W5-L150 HydrophobicContact CZ2-CD2 4.27Å; W5-L150 WeakPolarHBondContact CZ2-O 3.27Å; W8-L150 HydrophobicContact CD2-CD2 4.29Å; W8-L150 HydrophobicContact CE3-CD2 3.83Å; W8-L150 HydrophobicContact CH2-CD2 3.89Å; W8-L150 HydrophobicContact CZ2-CD2 4.35Å; W8-L150 HydrophobicContact CZ3-CD2 3.57Å; T12-L150 HydrophobicContact CG2-CD1 3.61Å; L146-L150 WeakPolarHBondContact O-CB 3.36Å; L146-L150 WeakPolarHBondContact O-CD1 3.48Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.37Å; L146-L150 PolarHBondContact O-N 2.91Å; F148-L150 VanDerWaalsContact C-N 3.28Å; F148-L150 PolarHBondContact O-N 3.42Å; L150-F152 PolarHBondContact O-N 3.46Å; L150-I153 PolarHBondContact O-N 3.3Å; L150-G154 PolarHBondContact O-N 3.05Å
151S88.6Confident80.8Confident40 Ų4081.9 Ų81.928%0.2839%0.39SS..Hα-helixtrans-44.1-45.8-179.6-164.80000113.8S147 F148 C155S147-S151 WeakPolarHBondContact O-CB 3.47Å; S147-S151 PolarHBondContact O-N 2.66Å; F148-S151 WeakPolarHBondContact O-CB 3.11Å; F148-S151 PolarHBondContact O-N 3.09Å; F148-S151 VanDerWaalsContact O-N 3.07Å; S151-C155 PolarHBondContact O-N 3.07Å; S151-C155 PolarHBondContact O-SG 2.68Å; S151-C155 VanDerWaalsContact O-SG 3.36Å
152F86.1Confident79.2Confident100 Ų10083.3 Ų83.344%0.43939%0.388SS..Hα-helixtrans-69.3-47.6179.5-83.1-100.8000112.9F148 I149 L150 G154 C155 Y156F148-F152 AromaticContact CD1-CD2 3.69Å; F148-F152 HydrophobicContact CD1-CD2 3.69Å; F148-F152 AromaticContact CD1-CE2 3.83Å; F148-F152 HydrophobicContact CD1-CE2 3.83Å; F148-F152 HydrophobicContact CD2-CD2 4.07Å; F148-F152 AromaticContact CD2-CE2 3.56Å; F148-F152 HydrophobicContact CD2-CE2 3.56Å; F148-F152 AromaticContact CE1-CD2 3.53Å; F148-F152 HydrophobicContact CE1-CD2 3.53Å; F148-F152 HydrophobicContact CE1-CE1 4.47Å; F148-F152 AromaticContact CE1-CE2 3.36Å; F148-F152 HydrophobicContact CE1-CE2 3.36Å; F148-F152 HydrophobicContact CE1-CG 4.22Å; F148-F152 AromaticContact CE1-CZ 3.84Å; F148-F152 HydrophobicContact CE1-CZ 3.84Å; F148-F152 AromaticContact CE2-CD2 3.96Å; F148-F152 HydrophobicContact CE2-CD2 3.96Å; F148-F152 AromaticContact CE2-CE2 3.08Å; F148-F152 HydrophobicContact CE2-CE2 3.08Å; F148-F152 AromaticContact CE2-CZ 3.65Å; F148-F152 HydrophobicContact CE2-CZ 3.65Å; F148-F152 AromaticContact CG-CD2 3.97Å; F148-F152 HydrophobicContact CG-CD2 3.97Å; F148-F152 AromaticContact CG-CE2 3.93Å; F148-F152 HydrophobicContact CG-CE2 3.93Å; F148-F152 AromaticContact CZ-CD2 3.69Å; F148-F152 HydrophobicContact CZ-CD2 3.69Å; F148-F152 HydrophobicContact CZ-CE1 4.19Å; F148-F152 AromaticContact CZ-CE2 2.97Å; F148-F152 HydrophobicContact CZ-CE2 2.97Å; F148-F152 AromaticContact CZ-CZ 3.25Å; F148-F152 HydrophobicContact CZ-CZ 3.25Å; F148-F152 VanDerWaalsContact O-CD2 3.26Å; F148-F152 WeakPolarHBondContact O-CD2 3.15Å; F148-F152 PolarHBondContact O-N 3.33Å; I149-F152 PolarHBondContact O-N 2.73Å; L150-F152 PolarHBondContact O-N 3.46Å; F152-G154 PolarHBondContact O-N 2.98Å; F152-C155 PolarHBondContact O-N 2.95Å; F152-Y156 WeakPolarHBondContact O-CD2 3.43Å; F152-Y156 PolarHBondContact O-N 3.37Å
153I83Confident77.6Confident49 Ų4987 Ų8725%0.25141%0.407SS..Hα-helixtrans-60.3-36.2178-68.5168.3000110.9I149 L150 C155 Y156 I165I149-I153 HydrophobicContact CG2-CD1 3.47Å; I149-I153 VanDerWaalsContact CG2-CD1 3.47Å; I149-I153 HydrophobicContact CG2-CG1 4.35Å; I149-I153 WeakPolarHBondContact O-CB 3.29Å; I149-I153 WeakPolarHBondContact O-CD1 3.21Å; I149-I153 VanDerWaalsContact O-CG1 3.22Å; I149-I153 WeakPolarHBondContact O-CG1 3.3Å; I149-I153 PolarHBondContact O-N 3.48Å; L150-I153 PolarHBondContact O-N 3.3Å; I153-C155 VanDerWaalsContact C-N 3.35Å; I153-C155 PolarHBondContact O-N 3.41Å; I153-Y156 CarbonylContact O-C 3.21Å; I153-Y156 PolarHBondContact O-N 3.21Å; I153-Y156 VanDerWaalsContact O-N 3.15Å; I153-I165 HydrophobicContact CD1-CG2 3.6Å
154G77.2Confident76.7Confident8 Ų892.4 Ų92.48%0.08244%0.436CS..Hα-helixtrans-60.4-38.6176.100000115L150 F152 Y156 L157L150-G154 PolarHBondContact O-N 3.05Å; F152-G154 PolarHBondContact O-N 2.98Å; G154-Y156 PolarHBondContact O-N 2.99Å; G154-L157 WeakPolarHBondContact O-CD2 3.34Å; G154-L157 WeakPolarHBondContact O-CG 3.43Å
155C72.8Confident75.9Confident100 Ų10091.3 Ų91.368%0.67643%0.433SS*.Hα-helixtrans-65.1-31.3176.2-65.30000111.6S151 F152 I153 L157S151-C155 PolarHBondContact O-N 3.07Å; S151-C155 PolarHBondContact O-SG 2.68Å; S151-C155 VanDerWaalsContact O-SG 3.36Å; F152-C155 PolarHBondContact O-N 2.95Å; I153-C155 VanDerWaalsContact C-N 3.35Å; I153-C155 PolarHBondContact O-N 3.41Å; C155-L157 VanDerWaalsContact C-N 3.33Å; C155-L157 PolarHBondContact O-N 3.47Å
156Y72.6Confident75.2Confident168 Ų16886.7 Ų86.766%0.65941%0.413SS*.THydrogen-bonded Turntrans-93.957.5176.9-60.2-74000111.6F152 I153 G154 K158 F159F152-Y156 WeakPolarHBondContact O-CD2 3.43Å; F152-Y156 PolarHBondContact O-N 3.37Å; I153-Y156 CarbonylContact O-C 3.21Å; I153-Y156 PolarHBondContact O-N 3.21Å; I153-Y156 VanDerWaalsContact O-N 3.15Å; G154-Y156 PolarHBondContact O-N 2.99Å; Y156-K158 PolarHBondContact O-N 3.02Å; Y156-F159 PolarHBondContact O-N 3.31Å
157L61.3Low74.8Confident82 Ų8293.8 Ų93.843%0.42944%0.439SS..THydrogen-bonded Turntrans-48.8-0.3180-68174.4000116.4G154 C155 L160G154-L157 WeakPolarHBondContact O-CD2 3.34Å; G154-L157 WeakPolarHBondContact O-CG 3.43Å; C155-L157 VanDerWaalsContact C-N 3.33Å; C155-L157 PolarHBondContact O-N 3.47Å; L157-L160 WeakPolarHBondContact O-CD1 3.22Å; L157-L160 WeakPolarHBondContact O-CG 3.33Å
158K56.8Low74.7Confident215 Ų21599.2 Ų99.294%0.93547%0.467SS*.THydrogen-bonded Turntrans-89.3-15170.3-83-177.2174.1-1800114.1Y156 L160Y156-K158 PolarHBondContact O-N 3.02Å; K158-L160 PolarHBondContact O-N 3.45Å; K158-L160 VanDerWaalsContact O-N 3.15Å
159F57Low74.6Confident109 Ų10994 Ų9448%0.47845%0.445SS..  trans-84.722.4-178.5-149-95.2000113.7Y156 W161 Q162 I165Y156-F159 PolarHBondContact O-N 3.31Å; F159-W161 PolarHBondContact O-N 3.33Å; F159-Q162 HydrophobicContact CE1-CB 4.16Å; F159-Q162 HydrophobicContact CE1-CG 4.41Å; F159-I165 HydrophobicContact CD1-CD1 3.92Å; F159-I165 HydrophobicContact CE1-CD1 3.39Å; F159-I165 HydrophobicContact CZ-CD1 4.42Å
160L53Low74.7Confident106 Ų10692.4 Ų92.456%0.55544%0.436SS*.THydrogen-bonded Turntrans-71.912.9-168-72.3174.1000115.8L157 K158L157-L160 WeakPolarHBondContact O-CD1 3.22Å; L157-L160 WeakPolarHBondContact O-CG 3.33Å; K158-L160 PolarHBondContact O-N 3.45Å; K158-L160 VanDerWaalsContact O-N 3.15Å
161W54.2Low74.9Confident238 Ų23898.6 Ų98.690%0.90246%0.463SS*.THydrogen-bonded Turntrans-123.7-5.4-167.6-161.6-82.1000116.1F159 L163F159-W161 PolarHBondContact O-N 3.33Å; W161-L163 PolarHBondContact O-N 3.07Å
162Q62Low75.2Confident112 Ų11297 Ų9752%0.52345%0.454SS..  trans-88.497.2174.4-84.4176.1-11.800111.5F159 N164 I165F159-Q162 HydrophobicContact CE1-CB 4.16Å; F159-Q162 HydrophobicContact CE1-CG 4.41Å; Q162-N164 PolarHBondContact O-N 3.31Å; Q162-I165 HydrophobicContact CB-CG1 4.47Å; Q162-I165 PolarHBondContact O-N 2.97Å
163L62.9Low75.7Confident124 Ų12492.3 Ų92.365%0.64943%0.433SS*.Hα-helixtrans-46.4-25.5170.7-74.4164.7000113.2W161 R167W161-L163 PolarHBondContact O-N 3.07Å; L163-R167 WeakPolarHBondContact O-CD 3.49Å; L163-R167 WeakPolarHBondContact O-CG 3.44Å; L163-R167 PolarHBondContact O-N 2.94Å
164N76.4Confident76.3Confident114 Ų11493.7 Ų93.761%0.6144%0.44SS*.Hα-helixtrans-72.9-44-177.2-66.4-6.8000113.1Q162 H166 R167 I168Q162-N164 PolarHBondContact O-N 3.31Å; N164-H166 PolarHBondContact O-N 2.95Å; N164-R167 PolarHBondContact O-N 2.93Å; N164-I168 WeakPolarHBondContact O-CG1 3.36Å; N164-I168 PolarHBondContact O-N 3.42Å
165I80.1Confident77.3Confident50 Ų5097.1 Ų97.126%0.25645%0.452SS..Hα-helixtrans-65.8-45.1-174.6-62.4-178.5000110.6I153 F159 Q162 R167 I168 C169I153-I165 HydrophobicContact CD1-CG2 3.6Å; F159-I165 HydrophobicContact CD1-CD1 3.92Å; F159-I165 HydrophobicContact CE1-CD1 3.39Å; F159-I165 HydrophobicContact CZ-CD1 4.42Å; Q162-I165 HydrophobicContact CB-CG1 4.47Å; Q162-I165 PolarHBondContact O-N 2.97Å; I165-R167 VanDerWaalsContact C-N 3.31Å; I165-R167 PolarHBondContact O-N 3.02Å; I165-I168 PolarHBondContact O-N 3.24Å; I165-C169 PolarHBondContact O-N 3.47Å; I165-C169 PolarHBondContact O-SG 3.43Å
166H80Confident78.4Confident32 Ų3292.3 Ų92.315%0.14842%0.42CS..Hα-helixtrans-54.3-47.5174.9175.6-91.2000112.2W8 N164 I168 C169 Q170 P236 F240W8-H166 AromaticContact CH2-CD2 3.15Å; W8-H166 WeakPolarHBondContact CH2-CD2 2.97Å; W8-H166 AromaticContact CH2-NE2 3.37Å; W8-H166 WeakPolarHBondContact CH2-NE2 3.33Å; W8-H166 AromaticContact CZ3-CD2 3.17Å; W8-H166 WeakPolarHBondContact CZ3-CD2 3.34Å; W8-H166 AromaticContact CZ3-NE2 3.59Å; N164-H166 PolarHBondContact O-N 2.95Å; H166-I168 VanDerWaalsContact C-N 3.35Å; H166-I168 PolarHBondContact O-N 2.73Å; H166-C169 PolarHBondContact O-N 2.93Å; H166-Q170 PolarHBondContact CE1-NE2 3.15Å; H166-Q170 PolarHBondContact CE1-OE1 2.83Å; H166-Q170 PolarHBondContact ND1-OE1 3.32Å; H166-Q170 VanDerWaalsContact O-CG 3.32Å; H166-Q170 WeakPolarHBondContact O-CG 3.06Å; H166-Q170 PolarHBondContact O-N 2.98Å; H166-P236 WeakPolarHBondContact CE1-CB 3.36Å; H166-P236 WeakPolarHBondContact NE2-CB 3.26Å; H166-P236 WeakPolarHBondContact NE2-CG 3.31Å; H166-F240 AromaticContact CD2-CE2 3.6Å; H166-F240 AromaticContact CE1-CE2 3.96Å; H166-F240 AromaticContact NE2-CD2 3.83Å; H166-F240 AromaticContact NE2-CE2 3.35Å; H166-F240 VanDerWaalsContact NE2-CE2 3.35Å; H166-F240 WeakPolarHBondContact NE2-CE2 3.43Å
167R85.1Confident79.6Confident158 Ų15884.3 Ų84.360%0.59639%0.389SS*.Hα-helixtrans-62.7-38.7178.1-74.3174.5-174-132.43.6112.7L163 N164 I165 Q170 F171L163-R167 WeakPolarHBondContact O-CD 3.49Å; L163-R167 WeakPolarHBondContact O-CG 3.44Å; L163-R167 PolarHBondContact O-N 2.94Å; N164-R167 PolarHBondContact O-N 2.93Å; I165-R167 VanDerWaalsContact C-N 3.31Å; I165-R167 PolarHBondContact O-N 3.02Å; R167-Q170 PolarHBondContact O-N 3.44Å; R167-F171 PolarHBondContact O-N 3.28Å
168I88.8Confident81.3Confident115 Ų11584.9 Ų84.959%0.5939%0.392SS*.Hα-helixtrans-63.7-45.8176.2-66.3163.1000110.2N164 I165 H166 Q170 F171 G172N164-I168 WeakPolarHBondContact O-CG1 3.36Å; N164-I168 PolarHBondContact O-N 3.42Å; I165-I168 PolarHBondContact O-N 3.24Å; H166-I168 VanDerWaalsContact C-N 3.35Å; H166-I168 PolarHBondContact O-N 2.73Å; I168-Q170 VanDerWaalsContact C-N 3.32Å; I168-Q170 PolarHBondContact O-N 2.83Å; I168-F171 PolarHBondContact O-N 2.78Å; I168-G172 PolarHBondContact O-N 2.9Å
169C90.7Very high83.2Confident4 Ų476.7 Ų76.73%0.02736%0.357CS..Hα-helixtrans-60.7-41.5176.2-66.90000111.9W8 L146 I165 H166 G172 L173W8-C169 HydrophobicContact CH2-CB 4.03Å; W8-C169 HydrophobicContact CZ2-CB 4.28Å; L146-C169 HydrophobicContact CD2-CB 4.5Å; I165-C169 PolarHBondContact O-N 3.47Å; I165-C169 PolarHBondContact O-SG 3.43Å; H166-C169 PolarHBondContact O-N 2.93Å; C169-G172 PolarHBondContact O-N 3.25Å; C169-L173 WeakPolarHBondContact O-CB 3.18Å; C169-L173 VanDerWaalsContact O-CG 3.28Å; C169-L173 WeakPolarHBondContact O-CG 3.26Å; C169-L173 PolarHBondContact O-N 2.78Å
170Q91.7Very high85.2Confident14 Ų1471.5 Ų71.57%0.06533%0.334CS..Hα-helixtrans-61.2-45.9175.5-70-179.5-54.200112.3W8 H166 R167 I168 G172 L173 M174 S233 N237W8-Q170 HydrophobicContact CH2-CG 4.48Å; W8-Q170 HydrophobicContact CZ2-CG 4.2Å; H166-Q170 PolarHBondContact CE1-NE2 3.15Å; H166-Q170 PolarHBondContact CE1-OE1 2.83Å; H166-Q170 PolarHBondContact ND1-OE1 3.32Å; H166-Q170 VanDerWaalsContact O-CG 3.32Å; H166-Q170 WeakPolarHBondContact O-CG 3.06Å; H166-Q170 PolarHBondContact O-N 2.98Å; R167-Q170 PolarHBondContact O-N 3.44Å; I168-Q170 VanDerWaalsContact C-N 3.32Å; I168-Q170 PolarHBondContact O-N 2.83Å; Q170-G172 VanDerWaalsContact C-N 3.33Å; Q170-G172 PolarHBondContact O-N 3.29Å; Q170-L173 PolarHBondContact O-N 3.22Å; Q170-M174 WeakPolarHBondContact O-CB 3.4Å; Q170-M174 PolarHBondContact O-N 3.03Å; Q170-S233 VanDerWaalsContact CG-O 3.32Å; Q170-S233 WeakPolarHBondContact CG-O 3.07Å; Q170-S233 PolarHBondContact NE2-O 2.49Å; Q170-S233 WeakPolarHBondContact O-CB 3.18Å; Q170-S233 PolarHBondContact O-OG 3.13Å; Q170-N237 PolarHBondContact NE2-ND2 2.86Å; Q170-N237 PolarHBondContact NE2-OD1 3.13Å; Q170-N237 PolarHBondContact OE1-OD1 3.27Å
171F93Very high87.2Confident132 Ų13268.5 Ų68.558%0.57932%0.318SS*.Hα-helixtrans-61.1-44177.1-179.5-97.6000111.2R167 I168 M174 F175R167-F171 PolarHBondContact O-N 3.28Å; I168-F171 PolarHBondContact O-N 2.78Å; F171-M174 HydrophobicContact CD2-CE 4.07Å; F171-M174 HydrophobicContact CE2-CE 4.31Å; F171-M174 PolarHBondContact O-N 3.44Å; F171-F175 WeakPolarHBondContact O-CB 3.48Å; F171-F175 PolarHBondContact O-N 3.48Å
172G95Very high89.3Confident8 Ų860.6 Ų60.68%0.08229%0.293CS..Hα-helixtrans-63.1-41.7176.800000113.5N142 L146 I168 C169 Q170 F175 S176N142-G172 PolarHBondContact OD1-O 3.27Å; L146-G172 VanDerWaalsContact CD1-C 3.41Å; I168-G172 PolarHBondContact O-N 2.9Å; C169-G172 PolarHBondContact O-N 3.25Å; Q170-G172 VanDerWaalsContact C-N 3.33Å; Q170-G172 PolarHBondContact O-N 3.29Å; G172-F175 PolarHBondContact O-N 3.17Å; G172-S176 WeakPolarHBondContact O-CB 3.37Å; G172-S176 PolarHBondContact O-N 3.43Å; G172-S176 PolarHBondContact O-OG 3.34Å
173L96Very high90.8Very high0 Ų055.2 Ų55.20%027%0.269CS..Hα-helixtrans-64.6-39.6174.9-72.5169.6000111.9W8 T12 L143 L146 C169 Q170 G177 S229W8-L173 HydrophobicContact CZ2-CD1 3.99Å; T12-L173 HydrophobicContact CG2-CD1 3.87Å; T12-L173 HydrophobicContact CG2-CD2 3.77Å; T12-L173 HydrophobicContact CG2-CG 4.46Å; L143-L173 HydrophobicContact CD2-CD2 3.86Å; L146-L173 HydrophobicContact CD1-CD2 4.14Å; L146-L173 HydrophobicContact CD1-CG 4.02Å; C169-L173 WeakPolarHBondContact O-CB 3.18Å; C169-L173 VanDerWaalsContact O-CG 3.28Å; C169-L173 WeakPolarHBondContact O-CG 3.26Å; C169-L173 PolarHBondContact O-N 2.78Å; Q170-L173 PolarHBondContact O-N 3.22Å; L173-G177 PolarHBondContact O-N 2.84Å; L173-S229 PolarHBondContact O-OG 3.05Å
174M96.3Very high92.3Very high79 Ų7949.6 Ų49.639%0.38924%0.239SC..Hα-helixtrans-67-46.9176.9-174178.273.400110.9Q170 F171 S176 G177 L178Q170-M174 WeakPolarHBondContact O-CB 3.4Å; Q170-M174 PolarHBondContact O-N 3.03Å; F171-M174 HydrophobicContact CD2-CE 4.07Å; F171-M174 HydrophobicContact CE2-CE 4.31Å; F171-M174 PolarHBondContact O-N 3.44Å; M174-S176 PolarHBondContact O-N 3.48Å; M174-G177 PolarHBondContact O-N 2.81Å; M174-L178 HydrophobicContact CG-CD1 4.31Å; M174-L178 WeakPolarHBondContact O-CG 3.31Å; M174-L178 PolarHBondContact O-N 2.95Å
175F96.6Very high93.1Very high79 Ų7948.6 Ų48.635%0.34623%0.233SC..Hα-helixtrans-58.1-48.5177.3-179.9-99.6000111.3F171 G172 G177 L178 M179F171-F175 WeakPolarHBondContact O-CB 3.48Å; F171-F175 PolarHBondContact O-N 3.48Å; G172-F175 PolarHBondContact O-N 3.17Å; F175-G177 PolarHBondContact O-N 2.89Å; F175-L178 PolarHBondContact O-N 2.97Å; F175-M179 HydrophobicContact CD1-CG 4.41Å; F175-M179 HydrophobicContact CD2-CE 4.14Å; F175-M179 HydrophobicContact CE1-CE 4.42Å; F175-M179 HydrophobicContact CE1-CG 4.1Å; F175-M179 HydrophobicContact CE2-CE 3.35Å; F175-M179 HydrophobicContact CE2-CG 4.44Å; F175-M179 HydrophobicContact CZ-CE 3.52Å; F175-M179 HydrophobicContact CZ-CG 4.12Å; F175-M179 WeakPolarHBondContact O-CG 3.36Å; F175-M179 PolarHBondContact O-N 3.14Å
176S97.1Very high93.8Very high0 Ų047.7 Ų47.70%023%0.228CC..Hα-helixtrans-60.4-43.8176-62.10000112.2N142 G172 M174 L178 M179 I180N142-S176 WeakPolarHBondContact CB-OG 3.33Å; N142-S176 VanDerWaalsContact CG-OG 3.3Å; N142-S176 PolarHBondContact OD1-OG 2.89Å; G172-S176 WeakPolarHBondContact O-CB 3.37Å; G172-S176 PolarHBondContact O-N 3.43Å; G172-S176 PolarHBondContact O-OG 3.34Å; M174-S176 PolarHBondContact O-N 3.48Å; S176-L178 PolarHBondContact O-N 3.26Å; S176-M179 PolarHBondContact O-N 2.75Å; S176-I180 VanDerWaalsContact O-CG1 3.27Å; S176-I180 WeakPolarHBondContact O-CG1 3.23Å; S176-I180 PolarHBondContact O-N 2.77Å
177G97.2Very high94.2Very high0 Ų046.2 Ų46.20%022%0.222CC..Hα-helixtrans-61.5-42.9177.900000113L173 M174 F175 I180 L181L173-G177 PolarHBondContact O-N 2.84Å; M174-G177 PolarHBondContact O-N 2.81Å; F175-G177 PolarHBondContact O-N 2.89Å; G177-I180 PolarHBondContact O-N 3.19Å; G177-L181 WeakPolarHBondContact O-CG 3.36Å; G177-L181 PolarHBondContact O-N 3.29Å
178L97.5Very high94.4Very high94 Ų9438.9 Ų38.949%0.49220%0.195SC..Hα-helixtrans-64.4-41.4176.3-69.6173.9000112.1M174 F175 S176 L181 L182M174-L178 HydrophobicContact CG-CD1 4.31Å; M174-L178 WeakPolarHBondContact O-CG 3.31Å; M174-L178 PolarHBondContact O-N 2.95Å; F175-L178 PolarHBondContact O-N 2.97Å; S176-L178 PolarHBondContact O-N 3.26Å; L178-L181 PolarHBondContact O-N 2.86Å; L178-L182 WeakPolarHBondContact O-CB 3.44Å; L178-L182 PolarHBondContact O-N 3.35Å
179M97.1Very high94.4Very high43 Ų4336.3 Ų36.321%0.21218%0.181CC..Hα-helixtrans-66.5-38.1177.8-69.4-57.5165.800112.3L135 S139 F175 S176 L182 C183L135-M179 HydrophobicContact CD2-SD 3.62Å; S139-M179 WeakPolarHBondContact OG-CB 3.34Å; F175-M179 HydrophobicContact CD1-CG 4.41Å; F175-M179 HydrophobicContact CD2-CE 4.14Å; F175-M179 HydrophobicContact CE1-CE 4.42Å; F175-M179 HydrophobicContact CE1-CG 4.1Å; F175-M179 HydrophobicContact CE2-CE 3.35Å; F175-M179 HydrophobicContact CE2-CG 4.44Å; F175-M179 HydrophobicContact CZ-CE 3.52Å; F175-M179 HydrophobicContact CZ-CG 4.12Å; F175-M179 WeakPolarHBondContact O-CG 3.36Å; F175-M179 PolarHBondContact O-N 3.14Å; S176-M179 PolarHBondContact O-N 2.75Å; M179-L182 PolarHBondContact O-N 2.89Å; M179-L182 HydrophobicContact SD-CD2 4.36Å; M179-C183 WeakPolarHBondContact O-CB 3.32Å; M179-C183 PolarHBondContact O-N 2.04Å
180I97.4Very high94.1Very high0 Ų036.1 Ų36.10%018%0.18CC..Hα-helixtrans-63-46.8173-67.3164.7000110.8C19 L136 L143 S176 G177 L182 C183 C184 T222C19-I180 HydrophobicContact CB-CD1 4.42Å; L136-I180 HydrophobicContact CD1-CG1 4.33Å; L143-I180 HydrophobicContact CD1-CD1 3.79Å; S176-I180 VanDerWaalsContact O-CG1 3.27Å; S176-I180 WeakPolarHBondContact O-CG1 3.23Å; S176-I180 PolarHBondContact O-N 2.77Å; G177-I180 PolarHBondContact O-N 3.19Å; I180-L182 VanDerWaalsContact C-N 3.34Å; I180-L182 PolarHBondContact O-N 3.03Å; I180-C183 VanDerWaalsContact O-CB 3.31Å; I180-C183 WeakPolarHBondContact O-CB 3.31Å; I180-C183 PolarHBondContact O-N 3.14Å; I180-C184 PolarHBondContact O-N 3.46Å; I180-C184 PolarHBondContact O-SG 3.33Å; I180-C184 VanDerWaalsContact O-SG 3.34Å; I180-T222 HydrophobicContact CG2-CG2 3.79Å; I180-T222 WeakPolarHBondContact CG2-O 3.16Å
181L96.9Very high93.7Very high42 Ų4235.7 Ų35.722%0.2218%0.178CC..Hα-helixtrans-64.3-39.3178.1-69.4178.9000112.1G177 L178 C184 I185 L227 I230G177-L181 WeakPolarHBondContact O-CG 3.36Å; G177-L181 PolarHBondContact O-N 3.29Å; L178-L181 PolarHBondContact O-N 2.86Å; L181-C184 WeakPolarHBondContact O-CB 3.4Å; L181-C184 PolarHBondContact O-N 3.32Å; L181-I185 WeakPolarHBondContact O-CG1 3.16Å; L181-I185 PolarHBondContact O-N 2.85Å; L181-L227 HydrophobicContact CD1-CD2 4.44Å; L181-L227 HydrophobicContact CD2-CD2 4.41Å; L181-I230 HydrophobicContact CD1-CD1 3.58Å
182L96.7Very high92.9Very high72 Ų7231.3 Ų31.338%0.37716%0.163SC..Hα-helixtrans-60.9-45.3173.9-177.660.1000110.9L135 L178 M179 I180 C184 I185 L186L135-L182 HydrophobicContact CD1-CD2 3.81Å; L135-L182 HydrophobicContact CD1-CG 4.04Å; L178-L182 WeakPolarHBondContact O-CB 3.44Å; L178-L182 PolarHBondContact O-N 3.35Å; M179-L182 PolarHBondContact O-N 2.89Å; M179-L182 HydrophobicContact SD-CD2 4.36Å; I180-L182 VanDerWaalsContact C-N 3.34Å; I180-L182 PolarHBondContact O-N 3.03Å; L182-C184 VanDerWaalsContact C-N 3.31Å; L182-C184 PolarHBondContact O-N 3.03Å; L182-I185 PolarHBondContact O-N 2.68Å; L182-I185 VanDerWaalsContact O-N 3.09Å; L182-L186 HydrophobicContact CD1-CG 4.3Å; L182-L186 HydrophobicContact CG-CD1 4.2Å; L182-L186 HydrophobicContact CG-CG 4.35Å; L182-L186 WeakPolarHBondContact O-CB 3.42Å; L182-L186 VanDerWaalsContact O-CG 3.27Å; L182-L186 WeakPolarHBondContact O-CG 3.41Å; L182-L186 PolarHBondContact O-N 3.2Å
183C95Very high91.9Very high0 Ų036.5 Ų36.50%019%0.189CC..Hα-helixtrans-53.4-46.4172.31550000112.1S132 M179 I180 I185 L186 F187S132-C183 VanDerWaalsContact OG-CA 3.32Å; S132-C183 WeakPolarHBondContact OG-CA 3.49Å; S132-C183 WeakPolarHBondContact OG-CB 3.35Å; S132-C183 PolarHBondContact OG-O 2.85Å; S132-C183 PolarHBondContact OG-SG 3.3Å; M179-C183 WeakPolarHBondContact O-CB 3.32Å; M179-C183 PolarHBondContact O-N 2.04Å; I180-C183 VanDerWaalsContact O-CB 3.31Å; I180-C183 WeakPolarHBondContact O-CB 3.31Å; I180-C183 PolarHBondContact O-N 3.14Å; C183-I185 VanDerWaalsContact C-N 3.32Å; C183-I185 PolarHBondContact O-N 3.18Å; C183-L186 PolarHBondContact O-N 3.11Å; C183-F187 PolarHBondContact O-N 3.31Å
184C94.1Very high91.1Very high5 Ų536.6 Ų36.63%0.03419%0.19CC..Hα-helixtrans-63-34.8177-64.70000112.8I180 L181 L182 P188 Y219 I223I180-C184 PolarHBondContact O-N 3.46Å; I180-C184 PolarHBondContact O-SG 3.33Å; I180-C184 VanDerWaalsContact O-SG 3.34Å; L181-C184 WeakPolarHBondContact O-CB 3.4Å; L181-C184 PolarHBondContact O-N 3.32Å; L182-C184 VanDerWaalsContact C-N 3.31Å; L182-C184 PolarHBondContact O-N 3.03Å; C184-P188 WeakPolarHBondContact O-CD 3.45Å; C184-Y219 HydrophobicContact CB-CE2 4.13Å; C184-Y219 PolarHBondContact O-OH 3.08Å; C184-I223 HydrophobicContact CB-CG1 3.99Å
185I93.8Very high90.2Very high93 Ų9339.5 Ų39.548%0.47721%0.207SC..Hα-helixtrans-72.7-38.6175.7-65.9163.5000111.3L181 L182 C183 F187 P188 I189L181-I185 WeakPolarHBondContact O-CG1 3.16Å; L181-I185 PolarHBondContact O-N 2.85Å; L182-I185 PolarHBondContact O-N 2.68Å; L182-I185 VanDerWaalsContact O-N 3.09Å; C183-I185 VanDerWaalsContact C-N 3.32Å; C183-I185 PolarHBondContact O-N 3.18Å; I185-F187 VanDerWaalsContact C-N 3.32Å; I185-F187 PolarHBondContact O-N 2.89Å; I185-P188 VanDerWaalsContact O-CD 3.26Å; I185-P188 WeakPolarHBondContact O-CD 3.17Å; I185-P188 WeakPolarHBondContact O-CG 3.39Å; I185-I189 HydrophobicContact CG2-CD1 3.98Å; I185-I189 WeakPolarHBondContact O-CD1 3.47Å; I185-I189 WeakPolarHBondContact O-CG1 3.46Å
186L93.2Very high89.3Confident31 Ų3136.6 Ų36.616%0.16220%0.195CC..Hα-helixtrans-67.5-31.6179.4-72.4-176.5000112.4T128 I131 L135 L182 C183 I189 G190T128-L186 HydrophobicContact CG2-CB 3.53Å; T128-L186 HydrophobicContact CG2-CD1 4.48Å; T128-L186 HydrophobicContact CG2-CD2 3.79Å; T128-L186 HydrophobicContact CG2-CG 4.09Å; T128-L186 WeakPolarHBondContact CG2-O 3.34Å; I131-L186 HydrophobicContact CG2-CD1 3.89Å; L135-L186 HydrophobicContact CD1-CD1 3.84Å; L182-L186 HydrophobicContact CD1-CG 4.3Å; L182-L186 HydrophobicContact CG-CD1 4.2Å; L182-L186 HydrophobicContact CG-CG 4.35Å; L182-L186 WeakPolarHBondContact O-CB 3.42Å; L182-L186 VanDerWaalsContact O-CG 3.27Å; L182-L186 WeakPolarHBondContact O-CG 3.41Å; L182-L186 PolarHBondContact O-N 3.2Å; C183-L186 PolarHBondContact O-N 3.11Å; L186-I189 HydrophobicContact CD2-CD1 4.35Å; L186-I189 PolarHBondContact O-N 3.34Å; L186-G190 PolarHBondContact O-N 3.06Å
187F89.8Confident88.5Confident1 Ų136.6 Ų36.60%0.00420%0.195CC..Hα-helixtrans-55.8-55.9-179.6-176.9-109.3000114.4W28 L29 L62 W129 C183 I185 I189 G190 W191 Y219W28-F187 HydrophobicContact CB-CE1 4.15Å; W28-F187 HydrophobicContact CB-CZ 3.86Å; W28-F187 HydrophobicContact CE3-CB 4.34Å; W28-F187 AromaticContact CE3-CD1 3.82Å; W28-F187 HydrophobicContact CE3-CD1 3.82Å; W28-F187 AromaticContact CE3-CD2 3.73Å; W28-F187 HydrophobicContact CE3-CD2 3.73Å; W28-F187 AromaticContact CE3-CE1 3.96Å; W28-F187 HydrophobicContact CE3-CE1 3.96Å; W28-F187 AromaticContact CE3-CE2 3.89Å; W28-F187 HydrophobicContact CE3-CE2 3.89Å; W28-F187 AromaticContact CE3-CG 3.69Å; W28-F187 HydrophobicContact CE3-CG 3.69Å; W28-F187 AromaticContact CE3-CZ 4Å; W28-F187 HydrophobicContact CE3-CZ 4Å; W28-F187 HydrophobicContact CZ3-CB 4.02Å; W28-F187 HydrophobicContact CZ3-CD1 4.32Å; W28-F187 HydrophobicContact CZ3-CD2 4.06Å; W28-F187 AromaticContact CZ3-CG 3.88Å; W28-F187 HydrophobicContact CZ3-CG 3.88Å; L29-F187 HydrophobicContact CB-CE1 4.47Å; L29-F187 HydrophobicContact CB-CZ 4.29Å; L62-F187 HydrophobicContact CD1-CD2 3.7Å; L62-F187 HydrophobicContact CD1-CE2 3.97Å; L62-F187 HydrophobicContact CG-CD2 4.22Å; W129-F187 HydrophobicContact CZ2-CE2 4.12Å; W129-F187 AromaticContact NE1-CD2 3.95Å; W129-F187 PolarHBondContact NE1-O 3.09Å; C183-F187 PolarHBondContact O-N 3.31Å; I185-F187 VanDerWaalsContact C-N 3.32Å; I185-F187 PolarHBondContact O-N 2.89Å; F187-I189 VanDerWaalsContact C-N 3.32Å; F187-I189 PolarHBondContact O-N 3.41Å; F187-G190 PolarHBondContact O-N 3.34Å; F187-W191 AromaticContact CD1-CZ2 3.95Å; F187-W191 HydrophobicContact CD1-CZ2 3.95Å; F187-W191 AromaticContact CD1-NE1 3.95Å; F187-W191 AromaticContact CE1-CZ2 3.73Å; F187-W191 HydrophobicContact CE1-CZ2 3.73Å; F187-W191 AromaticContact CE1-NE1 3.74Å; F187-W191 PolarHBondContact O-NE1 2.97Å; F187-Y219 HydrophobicContact CB-CE2 4.32Å; F187-Y219 HydrophobicContact CD1-CD2 4.09Å; F187-Y219 AromaticContact CD1-CE2 3.86Å; F187-Y219 HydrophobicContact CD1-CE2 3.86Å; F187-Y219 HydrophobicContact CG-CE2 4.42Å
188P88.6Confident87.6Confident5 Ų538.9 Ų38.93%0.03221%0.209CC..Hα-helixtrans-68.8-25.8177.627.9-36.1000113.9C184 I185 G190 W191 F208C184-P188 WeakPolarHBondContact O-CD 3.45Å; I185-P188 VanDerWaalsContact O-CD 3.26Å; I185-P188 WeakPolarHBondContact O-CD 3.17Å; I185-P188 WeakPolarHBondContact O-CG 3.39Å; P188-G190 PolarHBondContact O-N 2.79Å; P188-W191 HydrophobicContact CB-CD2 4.18Å; P188-W191 HydrophobicContact CB-CE3 4.16Å; P188-W191 HydrophobicContact CB-CH2 4.07Å; P188-W191 HydrophobicContact CB-CZ2 4.09Å; P188-W191 HydrophobicContact CB-CZ3 4.09Å; P188-W191 WeakPolarHBondContact O-CB 3.41Å; P188-W191 PolarHBondContact O-N 3.18Å; P188-W191 VanDerWaalsContact O-N 3.15Å; P188-F208 HydrophobicContact CB-CD1 3.78Å; P188-F208 HydrophobicContact CB-CE1 3.8Å; P188-F208 HydrophobicContact CG-CD1 3.84Å; P188-F208 HydrophobicContact CG-CE1 3.37Å; P188-F208 HydrophobicContact CG-CZ 4.15Å
189I87.9Confident86.5Confident60 Ų6038.3 Ų38.331%0.30820%0.203SC..Hα-helixtrans-61.7-35.7174.9-69169.9000110.6T128 I185 L186 F187 W191 F208T128-I189 HydrophobicContact CG2-CG2 4.46Å; I185-I189 HydrophobicContact CG2-CD1 3.98Å; I185-I189 WeakPolarHBondContact O-CD1 3.47Å; I185-I189 WeakPolarHBondContact O-CG1 3.46Å; L186-I189 HydrophobicContact CD2-CD1 4.35Å; L186-I189 PolarHBondContact O-N 3.34Å; F187-I189 VanDerWaalsContact C-N 3.32Å; F187-I189 PolarHBondContact O-N 3.41Å; I189-W191 PolarHBondContact O-N 2.77Å; I189-W191 VanDerWaalsContact O-N 3.12Å; I189-F208 HydrophobicContact CG1-CZ 4.19Å
190G85.5Confident85.6Confident0 Ų036.5 Ų36.50%019%0.194CC..THydrogen-bonded Turntrans-69.6-0.7177.700000114.9L186 F187 P188 N194L186-G190 PolarHBondContact O-N 3.06Å; F187-G190 PolarHBondContact O-N 3.34Å; P188-G190 PolarHBondContact O-N 2.79Å; G190-N194 PolarHBondContact O-ND2 3.05Å; G190-N194 PolarHBondContact O-OD1 3.01Å
191W84Confident84.8Confident6 Ų636.5 Ų36.52%0.02320%0.195CC..THydrogen-bonded Turntrans-81.9-24.2-173.6-65.5-5.2000115.7L29 W129 F187 P188 I189 D193 I197 L210L29-W191 HydrophobicContact CD1-CH2 4.18Å; L29-W191 HydrophobicContact CD1-CZ2 3.93Å; L29-W191 HydrophobicContact CD2-CZ2 4.46Å; W129-W191 AromaticContact CZ2-CD1 3.9Å; F187-W191 AromaticContact CD1-CZ2 3.95Å; F187-W191 HydrophobicContact CD1-CZ2 3.95Å; F187-W191 AromaticContact CD1-NE1 3.95Å; F187-W191 AromaticContact CE1-CZ2 3.73Å; F187-W191 HydrophobicContact CE1-CZ2 3.73Å; F187-W191 AromaticContact CE1-NE1 3.74Å; F187-W191 PolarHBondContact O-NE1 2.97Å; P188-W191 HydrophobicContact CB-CD2 4.18Å; P188-W191 HydrophobicContact CB-CE3 4.16Å; P188-W191 HydrophobicContact CB-CH2 4.07Å; P188-W191 HydrophobicContact CB-CZ2 4.09Å; P188-W191 HydrophobicContact CB-CZ3 4.09Å; P188-W191 WeakPolarHBondContact O-CB 3.41Å; P188-W191 PolarHBondContact O-N 3.18Å; P188-W191 VanDerWaalsContact O-N 3.15Å; I189-W191 PolarHBondContact O-N 2.77Å; I189-W191 VanDerWaalsContact O-N 3.12Å; W191-D193 VanDerWaalsContact C-N 3.3Å; W191-D193 PolarHBondContact O-N 2.88Å; W191-I197 HydrophobicContact CB-CD1 4.07Å; W191-I197 HydrophobicContact CG-CD1 3.83Å; W191-L210 HydrophobicContact CH2-CD1 4.19Å; W191-L210 HydrophobicContact CH2-CD2 4.16Å; W191-L210 HydrophobicContact CH2-CG 3.89Å; W191-L210 HydrophobicContact CZ3-CD1 3.95Å; W191-L210 HydrophobicContact CZ3-CD2 4.47Å; W191-L210 HydrophobicContact CZ3-CG 3.71Å
192S74.6Confident83.7Confident39 Ų3935.7 Ų35.727%0.27320%0.196SC..THydrogen-bonded Turntrans-65.8-29.9-169.2-168.40000113.6
193D73.7Confident82.2Confident117 Ų11740.9 Ų40.963%0.62622%0.219SC*.THydrogen-bonded Turntrans-126.526.6-168.8-55.8-40.2000112.2W191W191-D193 VanDerWaalsContact C-N 3.3Å; W191-D193 PolarHBondContact O-N 2.88Å
194N80.4Confident80.3Confident3 Ų351.1 Ų51.12%0.01626%0.257CS..  trans-113.5104.3-179-73.9-7.2000111.7H126 G190 E196 I197 V198H126-N194 WeakPolarHBondContact CB-OD1 3.48Å; H126-N194 PolarHBondContact CD2-OD1 3.39Å; H126-N194 VanDerWaalsContact CD2-OD1 3.26Å; G190-N194 PolarHBondContact O-ND2 3.05Å; G190-N194 PolarHBondContact O-OD1 3.01Å; N194-E196 PolarHBondContact O-N 3.38Å; N194-E196 VanDerWaalsContact O-N 3.13Å; N194-I197 HydrophobicContact CB-CB 4.48Å; N194-I197 HydrophobicContact CB-CD1 3.85Å; N194-I197 HydrophobicContact CB-CG1 3.62Å; N194-I197 PolarHBondContact O-N 2.92Å; N194-V198 WeakPolarHBondContact O-CG2 3.35Å; N194-V198 PolarHBondContact O-N 2.99Å
195D77.6Confident78.3Confident140 Ų14051.9 Ų51.975%0.74926%0.259SS*.Hα-helixtrans-49.9-40.2176.1-64.2-24.1000112.5I197 V198 Q199D195-I197 VanDerWaalsContact C-N 3.28Å; D195-I197 PolarHBondContact O-N 3.34Å; D195-V198 PolarHBondContact O-N 3.47Å; D195-Q199 WeakPolarHBondContact O-CB 3.35Å; D195-Q199 PolarHBondContact O-N 3.44Å
196E77.5Confident76.5Confident18 Ų1850.7 Ų50.78%0.08426%0.26CS..Hα-helixtrans-59.3-40-179.6-70.4-168.5-148.500113R65 Y119 N194 L200R65-E196 IonicContact NH1-OE2 3.07Å; R65-E196 PolarHBondContact NH1-OE2 2.87Å; Y119-E196 WeakPolarHBondContact CE1-OE1 3.3Å; Y119-E196 WeakPolarHBondContact CE1-OE2 3.37Å; Y119-E196 VanDerWaalsContact CZ-OE2 3.31Å; Y119-E196 PolarHBondContact OH-OE2 3.24Å; N194-E196 PolarHBondContact O-N 3.38Å; N194-E196 VanDerWaalsContact O-N 3.13Å; E196-L200 VanDerWaalsContact O-CD1 3.32Å; E196-L200 WeakPolarHBondContact O-CD1 3.48Å; E196-L200 WeakPolarHBondContact O-CG 3.32Å; E196-L200 PolarHBondContact O-N 3.21Å
197I80.2Confident74.8Confident0 Ų057 Ų570%028%0.281CS..Hα-helixtrans-82.9-36.9-179.6-26.5174.6000109.8L29 L60 W129 W191 N194 D195 Q199 L200 C201 R205L29-I197 HydrophobicContact CD2-CG2 3.53Å; L60-I197 HydrophobicContact CD2-CG1 4.46Å; W129-I197 HydrophobicContact CH2-CD1 3.38Å; W129-I197 HydrophobicContact CH2-CG1 3.71Å; W129-I197 HydrophobicContact CZ2-CD1 3.24Å; W129-I197 HydrophobicContact CZ2-CG1 4.11Å; W191-I197 HydrophobicContact CB-CD1 4.07Å; W191-I197 HydrophobicContact CG-CD1 3.83Å; N194-I197 HydrophobicContact CB-CB 4.48Å; N194-I197 HydrophobicContact CB-CD1 3.85Å; N194-I197 HydrophobicContact CB-CG1 3.62Å; N194-I197 PolarHBondContact O-N 2.92Å; D195-I197 VanDerWaalsContact C-N 3.28Å; D195-I197 PolarHBondContact O-N 3.34Å; I197-Q199 PolarHBondContact O-N 2.87Å; I197-L200 HydrophobicContact CG2-CB 4.46Å; I197-L200 HydrophobicContact CG2-CD1 4.4Å; I197-L200 CarbonylContact O-C 3.39Å; I197-L200 WeakPolarHBondContact O-CA 3.17Å; I197-L200 WeakPolarHBondContact O-CB 3.47Å; I197-L200 PolarHBondContact O-N 3.36Å; I197-C201 PolarHBondContact O-N 3.16Å; I197-R205 PolarHBondContact O-NH2 2.82Å
198V78.1Confident73.5Confident48 Ų4862.9 Ų62.929%0.29131%0.307SS..Hα-helixtrans-53.3-41.5173.7171.90000110.1N194 D195 L200 G202N194-V198 WeakPolarHBondContact O-CG2 3.35Å; N194-V198 PolarHBondContact O-N 2.99Å; D195-V198 PolarHBondContact O-N 3.47Å; V198-L200 VanDerWaalsContact C-N 3.3Å; V198-L200 PolarHBondContact O-N 2.96Å; V198-G202 CarbonylContact O-C 3.6Å; V198-G202 VanDerWaalsContact O-CA 3.25Å; V198-G202 WeakPolarHBondContact O-CA 3.43Å; V198-G202 PolarHBondContact O-N 3.33Å
199Q74.1Confident72.6Confident81 Ų8166.3 Ų66.338%0.37933%0.325SS..Hα-helixtrans-62.4-32.2173.3-172.9177.41300114Y71 D195 I197Y71-Q199 PolarHBondContact OH-NE2 3.07Å; D195-Q199 WeakPolarHBondContact O-CB 3.35Å; D195-Q199 PolarHBondContact O-N 3.44Å; I197-Q199 PolarHBondContact O-N 2.87Å
200L78Confident71.8Confident5 Ų565.2 Ų65.23%0.02632%0.32CS..Hα-helixtrans-84.8-35.9-177.8-74.5162.5000114.2K32 I33 S58 L60 E196 I197 V198K32-L200 PolarHBondContact N-O 3.14Å; I33-L200 HydrophobicContact CD1-CD2 4.28Å; I33-L200 HydrophobicContact CG1-CD2 4.05Å; S58-L200 VanDerWaalsContact OG-CD2 3.29Å; S58-L200 WeakPolarHBondContact OG-CD2 3.27Å; L60-L200 HydrophobicContact CD2-CD1 4.31Å; E196-L200 VanDerWaalsContact O-CD1 3.32Å; E196-L200 WeakPolarHBondContact O-CD1 3.48Å; E196-L200 WeakPolarHBondContact O-CG 3.32Å; E196-L200 PolarHBondContact O-N 3.21Å; I197-L200 HydrophobicContact CG2-CB 4.46Å; I197-L200 HydrophobicContact CG2-CD1 4.4Å; I197-L200 CarbonylContact O-C 3.39Å; I197-L200 WeakPolarHBondContact O-CA 3.17Å; I197-L200 WeakPolarHBondContact O-CB 3.47Å; I197-L200 PolarHBondContact O-N 3.36Å; V198-L200 VanDerWaalsContact C-N 3.3Å; V198-L200 PolarHBondContact O-N 2.96Å
201C80.4Confident71.4Confident1 Ų167.2 Ų67.21%0.00734%0.34CS..Hα-helixtrans-115.1-6.7-170-46.80000113.7I197 R205 L210 H212 C213I197-C201 PolarHBondContact O-N 3.16Å; C201-R205 HydrophobicContact CB-CG 4.46Å; C201-R205 VanDerWaalsContact CB-NH2 3.31Å; C201-R205 VanDerWaalsContact SG-CZ 3.59Å; C201-R205 PolarHBondContact SG-NH1 2.77Å; C201-R205 PolarHBondContact SG-NH2 2.84Å; C201-L210 WeakPolarHBondContact CB-O 3.2Å; C201-H212 PolarHBondContact O-CD2 3.12Å; C201-H212 PolarHBondContact O-N 3.36Å; C201-C213 WeakPolarHBondContact CA-SG 3.36Å; C201-C213 HydrophobicContact CB-CB 3.76Å; C201-C213 WeakPolarHBondContact CB-SG 3.46Å; C201-C213 WeakPolarHBondContact SG-CB 3.43Å; C201-C213 CovalentContact SG-SG 2Å; C201-C213 PolarHBondContact SG-SG 3.48Å
202G74.1Confident71.1Confident25 Ų2573.3 Ų73.326%0.25837%0.369SS..  trans90.7168.2-175.200000113.9V198 R204V198-G202 CarbonylContact O-C 3.6Å; V198-G202 VanDerWaalsContact O-CA 3.25Å; V198-G202 WeakPolarHBondContact O-CA 3.43Å; V198-G202 PolarHBondContact O-N 3.33Å; G202-R204 PolarHBondContact O-N 2.81Å
203E64.7Low71.5Confident181 Ų18171.9 Ų71.985%0.84636%0.359SS*.SBendtrans-75.1-17.8-170.8-162.7171.7-178.800114.4R205E203-R205 PolarHBondContact O-N 3.15Å
204R55.6Low72.2Confident215 Ų21572.7 Ų72.781%0.81136%0.359SS*.  trans-76.924.9-176.5-62.7-157.7-166107.82.5115.2G202 S206G202-R204 PolarHBondContact O-N 2.81Å; R204-S206 PolarHBondContact O-N 2.98Å
205R53Low72.7Confident20 Ų2076.4 Ų76.48%0.07538%0.378CS..  trans-87.8103.3-168.7-108.5-121.9-68-96.9-56.9112.5I197 C201 E203 D209I197-R205 PolarHBondContact O-NH2 2.82Å; C201-R205 HydrophobicContact CB-CG 4.46Å; C201-R205 VanDerWaalsContact CB-NH2 3.31Å; C201-R205 VanDerWaalsContact SG-CZ 3.59Å; C201-R205 PolarHBondContact SG-NH1 2.77Å; C201-R205 PolarHBondContact SG-NH2 2.84Å; E203-R205 PolarHBondContact O-N 3.15Å; R205-D209 WeakPolarHBondContact CD-O 3.09Å; R205-D209 VanDerWaalsContact CG-O 3.24Å; R205-D209 WeakPolarHBondContact CG-O 3.41Å
206S55.1Low73.3Confident69 Ų6969.8 Ų69.848%0.48334%0.343SS..  trans-85.4163.8160.172.30000110.5R204 F208 D209R204-S206 PolarHBondContact O-N 2.98Å; S206-F208 PolarHBondContact O-N 3.03Å; S206-D209 PolarHBondContact O-N 3.07Å; S206-D209 WeakPolarHBondContact OG-CB 3.5Å
207R58.9Low74Confident162 Ų16278.8 Ų78.861%0.61138%0.376SS*.THydrogen-bonded Turntrans-55.7123.9175.6-63.4174.6-170.1177.61.8108.7D209R207-D209 VanDerWaalsContact C-N 3.34Å
208F61.9Low74.7Confident126 Ų12678.9 Ų78.955%0.55338%0.377SS*.THydrogen-bonded Turntrans743.1-175.3-53.1-87.2000117.5P188 I189 S206P188-F208 HydrophobicContact CB-CD1 3.78Å; P188-F208 HydrophobicContact CB-CE1 3.8Å; P188-F208 HydrophobicContact CG-CD1 3.84Å; P188-F208 HydrophobicContact CG-CE1 3.37Å; P188-F208 HydrophobicContact CG-CZ 4.15Å; I189-F208 HydrophobicContact CG1-CZ 4.19Å; S206-F208 PolarHBondContact O-N 3.03Å
209D69.6Low75.4Confident76 Ų7677.9 Ų77.941%0.40637%0.368SS..  trans-93.8128168.9-163.7-16000109.7R205 S206 R207 G211R205-D209 WeakPolarHBondContact CD-O 3.09Å; R205-D209 VanDerWaalsContact CG-O 3.24Å; R205-D209 WeakPolarHBondContact CG-O 3.41Å; S206-D209 PolarHBondContact O-N 3.07Å; S206-D209 WeakPolarHBondContact OG-CB 3.5Å; R207-D209 VanDerWaalsContact C-N 3.34Å; D209-G211 PolarHBondContact OD1-N 3.49Å
210L71Confident76.4Confident38 Ų3877.4 Ų77.420%0.19937%0.37CS..  trans-88.2-13.8-175-79.993.6000113.5L29 W191 C201 H212 C213 L215L29-L210 HydrophobicContact CD1-CD2 4.04Å; W191-L210 HydrophobicContact CH2-CD1 4.19Å; W191-L210 HydrophobicContact CH2-CD2 4.16Å; W191-L210 HydrophobicContact CH2-CG 3.89Å; W191-L210 HydrophobicContact CZ3-CD1 3.95Å; W191-L210 HydrophobicContact CZ3-CD2 4.47Å; W191-L210 HydrophobicContact CZ3-CG 3.71Å; C201-L210 WeakPolarHBondContact CB-O 3.2Å; L210-H212 PolarHBondContact O-N 3.26Å; L210-H212 VanDerWaalsContact O-N 3.15Å; L210-C213 WeakPolarHBondContact CB-O 3.1Å; L210-C213 WeakPolarHBondContact O-CB 3.15Å; L210-C213 PolarHBondContact O-N 3.4Å; L210-L215 HydrophobicContact CD1-CD1 3.93Å; L210-L215 HydrophobicContact CD2-CD1 3.26Å; L210-L215 HydrophobicContact CD2-CG 3.76Å; L210-L215 HydrophobicContact CG-CD1 4.22Å
211G76.9Confident77.2Confident42 Ų4279.5 Ų79.543%0.43338%0.381SS..THydrogen-bonded Turntrans52.3-121-173.800000111.4D209 C213D209-G211 PolarHBondContact OD1-N 3.49Å; G211-C213 VanDerWaalsContact C-N 3.35Å
212H76.9Confident78Confident133 Ų13379.4 Ų79.462%0.61638%0.381SS*.THydrogen-bonded Turntrans-84.8-0.2178.8-64.5-64.1000115.1C201 L210C201-H212 PolarHBondContact O-CD2 3.12Å; C201-H212 PolarHBondContact O-N 3.36Å; L210-H212 PolarHBondContact O-N 3.26Å; L210-H212 VanDerWaalsContact O-N 3.15Å
213C84.7Confident79Confident9 Ų980.7 Ų80.76%0.06138%0.381CS..  trans-89.8157.8-179.1-75.80000113.5L29 N30 G31 C201 L210 G211L29-C213 HydrophobicContact CD1-CB 3.98Å; L29-C213 HydrophobicContact CG-CB 4.2Å; N30-C213 CarbonylContact O-C 3.6Å; N30-C213 VanDerWaalsContact O-CA 3.26Å; N30-C213 WeakPolarHBondContact O-CA 3.1Å; N30-C213 WeakPolarHBondContact O-CB 3.27Å; G31-C213 WeakPolarHBondContact CA-SG 3.46Å; C201-C213 WeakPolarHBondContact CA-SG 3.36Å; C201-C213 HydrophobicContact CB-CB 3.76Å; C201-C213 WeakPolarHBondContact CB-SG 3.46Å; C201-C213 WeakPolarHBondContact SG-CB 3.43Å; C201-C213 CovalentContact SG-SG 2Å; C201-C213 PolarHBondContact SG-SG 3.48Å; L210-C213 WeakPolarHBondContact CB-O 3.1Å; L210-C213 WeakPolarHBondContact O-CB 3.15Å; L210-C213 PolarHBondContact O-N 3.4Å; G211-C213 VanDerWaalsContact C-N 3.35Å
214Q87.5Confident80.6Confident134 Ų13477.2 Ų77.263%0.62637%0.366SS*.EExtended strand (participates in β ladder)trans-121142.9174.6-64.1-178.3-15.200109.8N30N30-Q214 HydrophobicContact CB-CB 4.43Å; N30-Q214 PolarHBondContact N-O 2.94Å; N30-Q214 PolarHBondContact O-N 3.47Å
215L90.1Very high82.5Confident81 Ų8167 Ų6742%0.42433%0.327SS..EExtended strand (participates in β ladder)trans-68.9137.5170.6-69.4100.4000109.8L210 Y219L210-L215 HydrophobicContact CD1-CD1 3.93Å; L210-L215 HydrophobicContact CD2-CD1 3.26Å; L210-L215 HydrophobicContact CD2-CG 3.76Å; L210-L215 HydrophobicContact CG-CD1 4.22Å; L215-Y219 HydrophobicContact CD2-CD1 3.27Å; L215-Y219 HydrophobicContact CD2-CE1 3.37Å; L215-Y219 HydrophobicContact CD2-CG 4.16Å
216G90.8Very high84.6Confident1 Ų166 Ų661%0.0132%0.324CS..  trans-90.7161.6174.900000112.7Y27 W28 A218 Y219Y27-G216 CarbonylContact O-C 3.59Å; Y27-G216 WeakPolarHBondContact O-CA 3.45Å; W28-G216 PolarHBondContact O-N 2.98Å; G216-A218 VanDerWaalsContact C-N 3.27Å; G216-A218 PolarHBondContact O-N 3.09Å; G216-Y219 WeakPolarHBondContact O-CB 3.49Å; G216-Y219 PolarHBondContact O-N 2.93Å
217W92.8Very high86.6Confident208 Ų20867 Ų6779%0.78832%0.323SS*.Hα-helixtrans-63.6-28.3-175.4-56.4103.8000113.9Y27 Y219 V220 I221Y27-W217 PolarHBondContact O-N 2.94Å; W217-Y219 VanDerWaalsContact C-N 3.28Å; W217-Y219 PolarHBondContact O-N 3.26Å; W217-V220 PolarHBondContact O-N 3.42Å; W217-I221 WeakPolarHBondContact O-CG1 3.41Å; W217-I221 PolarHBondContact O-N 3.22Å
218A93.8Very high88.5Confident1 Ų161 Ų611%0.00830%0.303CS..Hα-helixtrans-66.7-32.6-179.800000111.8L25 Y27 G216 I221 T222L25-A218 HydrophobicContact CB-CB 3.75Å; Y27-A218 VanDerWaalsContact O-CB 3.32Å; Y27-A218 WeakPolarHBondContact O-CB 3.38Å; Y27-A218 PolarHBondContact O-N 3.21Å; Y27-A218 VanDerWaalsContact O-N 3.08Å; G216-A218 VanDerWaalsContact C-N 3.27Å; G216-A218 PolarHBondContact O-N 3.09Å; A218-I221 PolarHBondContact O-N 3.13Å; A218-T222 PolarHBondContact O-N 3.11Å; A218-T222 PolarHBondContact O-OG1 3.3Å
219Y94Very high90.1Very high28 Ų2855 Ų5511%0.1128%0.277CS..Hα-helixtrans-63.7-45.2173.1-177.1-104.8000111.4W28 C184 F187 L215 G216 W217 I221 T222 I223W28-Y219 HydrophobicContact CD2-CD2 4.08Å; W28-Y219 AromaticContact CE3-CD2 3.45Å; W28-Y219 HydrophobicContact CE3-CD2 3.45Å; W28-Y219 VanDerWaalsContact CE3-CD2 3.45Å; W28-Y219 HydrophobicContact CE3-CE2 4.12Å; W28-Y219 HydrophobicContact CE3-CG 4.47Å; W28-Y219 HydrophobicContact CH2-CD2 4.5Å; W28-Y219 AromaticContact CZ3-CD2 3.66Å; W28-Y219 HydrophobicContact CZ3-CD2 3.66Å; W28-Y219 HydrophobicContact CZ3-CE2 4.01Å; C184-Y219 HydrophobicContact CB-CE2 4.13Å; C184-Y219 PolarHBondContact O-OH 3.08Å; F187-Y219 HydrophobicContact CB-CE2 4.32Å; F187-Y219 HydrophobicContact CD1-CD2 4.09Å; F187-Y219 AromaticContact CD1-CE2 3.86Å; F187-Y219 HydrophobicContact CD1-CE2 3.86Å; F187-Y219 HydrophobicContact CG-CE2 4.42Å; L215-Y219 HydrophobicContact CD2-CD1 3.27Å; L215-Y219 HydrophobicContact CD2-CE1 3.37Å; L215-Y219 HydrophobicContact CD2-CG 4.16Å; G216-Y219 WeakPolarHBondContact O-CB 3.49Å; G216-Y219 PolarHBondContact O-N 2.93Å; W217-Y219 VanDerWaalsContact C-N 3.28Å; W217-Y219 PolarHBondContact O-N 3.26Å; Y219-I221 PolarHBondContact O-N 3.02Å; Y219-T222 WeakPolarHBondContact O-CB 3.48Å; Y219-T222 PolarHBondContact O-N 3.26Å; Y219-I223 HydrophobicContact CD1-CD1 3.87Å; Y219-I223 HydrophobicContact CE1-CD1 3.4Å; Y219-I223 HydrophobicContact CE1-CG1 4.39Å; Y219-I223 PolarHBondContact O-N 3.28Å; Y219-I223 VanDerWaalsContact O-N 3.09Å
220V95.1Very high91.4Very high70 Ų7053.8 Ų53.842%0.42427%0.27SS..Hα-helixtrans-62.8-44.5177.7-1780000111.1W217 T222 I223 M224W217-V220 PolarHBondContact O-N 3.42Å; V220-T222 VanDerWaalsContact C-N 3.25Å; V220-T222 PolarHBondContact O-N 3.14Å; V220-I223 PolarHBondContact O-N 2.98Å; V220-M224 HydrophobicContact CG1-CG 4.43Å; V220-M224 VanDerWaalsContact O-CG 3.3Å; V220-M224 WeakPolarHBondContact O-CG 3.29Å; V220-M224 PolarHBondContact O-N 3.3Å
221I95.4Very high92.5Very high49 Ų4957 Ų5725%0.25128%0.282SS..Hα-helixtrans-58.3-39.3175.7-72.9168.1000111.3L18 W217 A218 Y219 M224 S225L18-I221 HydrophobicContact CB-CG2 4.06Å; L18-I221 HydrophobicContact CD2-CG2 3.85Å; L18-I221 WeakPolarHBondContact O-CG2 3.29Å; W217-I221 WeakPolarHBondContact O-CG1 3.41Å; W217-I221 PolarHBondContact O-N 3.22Å; A218-I221 PolarHBondContact O-N 3.13Å; Y219-I221 PolarHBondContact O-N 3.02Å; I221-M224 PolarHBondContact O-N 2.81Å; I221-S225 PolarHBondContact O-N 3.04Å
222T95.6Very high93.3Very high0 Ų055 Ų550%026%0.262CS..Hα-helixtrans-65.8-44.6178.8-53.40000111.6G22 W28 L136 I180 A218 Y219 V220 M224 S225 G226G22-T222 WeakPolarHBondContact CA-OG1 3.45Å; W28-T222 HydrophobicContact CH2-CG2 3.96Å; W28-T222 HydrophobicContact CZ2-CG2 3.92Å; W28-T222 WeakPolarHBondContact CZ2-OG1 3.27Å; L136-T222 HydrophobicContact CD1-CG2 4.07Å; I180-T222 HydrophobicContact CG2-CG2 3.79Å; I180-T222 WeakPolarHBondContact CG2-O 3.16Å; A218-T222 PolarHBondContact O-N 3.11Å; A218-T222 PolarHBondContact O-OG1 3.3Å; Y219-T222 WeakPolarHBondContact O-CB 3.48Å; Y219-T222 PolarHBondContact O-N 3.26Å; V220-T222 VanDerWaalsContact C-N 3.25Å; V220-T222 PolarHBondContact O-N 3.14Å; T222-M224 VanDerWaalsContact C-N 3.34Å; T222-M224 PolarHBondContact O-N 3.37Å; T222-S225 WeakPolarHBondContact O-CB 3.49Å; T222-S225 PolarHBondContact O-N 3.04Å; T222-G226 PolarHBondContact O-N 3.36Å
223I96.4Very high94.1Very high51 Ų5149.1 Ų49.126%0.26224%0.235SC..Hα-helixtrans-60-46.4173.6-66.8171.9000110.6C184 Y219 V220 S225 G226 L227C184-I223 HydrophobicContact CB-CG1 3.99Å; Y219-I223 HydrophobicContact CD1-CD1 3.87Å; Y219-I223 HydrophobicContact CE1-CD1 3.4Å; Y219-I223 HydrophobicContact CE1-CG1 4.39Å; Y219-I223 PolarHBondContact O-N 3.28Å; Y219-I223 VanDerWaalsContact O-N 3.09Å; V220-I223 PolarHBondContact O-N 2.98Å; I223-S225 VanDerWaalsContact C-N 3.28Å; I223-S225 PolarHBondContact O-N 2.76Å; I223-G226 PolarHBondContact O-N 3.47Å; I223-G226 VanDerWaalsContact O-N 3.13Å; I223-L227 HydrophobicContact CG2-CD1 4.12Å; I223-L227 HydrophobicContact CG2-CG 4.41Å; I223-L227 WeakPolarHBondContact O-CG 2.98Å; I223-L227 PolarHBondContact O-N 3.03Å
224M96.8Very high94.4Very high109 Ų10951.6 Ų51.654%0.53725%0.25SC..Hα-helixtrans-61-37.7178.5-69.8-59.2-70.500111.9V220 I221 T222 L227 L228V220-M224 HydrophobicContact CG1-CG 4.43Å; V220-M224 VanDerWaalsContact O-CG 3.3Å; V220-M224 WeakPolarHBondContact O-CG 3.29Å; V220-M224 PolarHBondContact O-N 3.3Å; I221-M224 PolarHBondContact O-N 2.81Å; T222-M224 VanDerWaalsContact C-N 3.34Å; T222-M224 PolarHBondContact O-N 3.37Å; M224-L227 PolarHBondContact O-N 3.28Å; M224-L228 WeakPolarHBondContact O-CB 3.49Å; M224-L228 PolarHBondContact O-N 3.25Å
225S96.8Very high94.5Very high0 Ų047 Ų470%023%0.228CC..Hα-helixtrans-62-46.6172.9179.60000111.8T15 C19 I221 T222 I223 L227 L228 S229T15-S225 PolarHBondContact O-OG 2.99Å; C19-S225 WeakPolarHBondContact CB-OG 3.39Å; C19-S225 PolarHBondContact N-OG 3.44Å; I221-S225 PolarHBondContact O-N 3.04Å; T222-S225 WeakPolarHBondContact O-CB 3.49Å; T222-S225 PolarHBondContact O-N 3.04Å; I223-S225 VanDerWaalsContact C-N 3.28Å; I223-S225 PolarHBondContact O-N 2.76Å; S225-L227 PolarHBondContact O-N 3.07Å; S225-L228 PolarHBondContact O-N 3.07Å; S225-S229 WeakPolarHBondContact O-CB 3.18Å; S225-S229 PolarHBondContact O-N 3.27Å
226G97.2Very high94.2Very high0 Ų043.2 Ų43.20%021%0.208CC..Hα-helixtrans-58.1-46.6176.400000112.6T222 I223 S229 I230T222-G226 PolarHBondContact O-N 3.36Å; I223-G226 PolarHBondContact O-N 3.47Å; I223-G226 VanDerWaalsContact O-N 3.13Å; G226-S229 WeakPolarHBondContact O-CB 3.41Å; G226-S229 PolarHBondContact O-N 3.09Å; G226-I230 WeakPolarHBondContact O-CG1 3.22Å; G226-I230 PolarHBondContact O-N 3.39Å; G226-I230 VanDerWaalsContact O-N 3.17Å
227L97.5Very high93.8Very high88 Ų8847.3 Ų47.346%0.46123%0.23SC..Hα-helixtrans-64.9-42.8176.3-65.9177.6000112.3L181 I223 M224 S225 S229 I230 F231L181-L227 HydrophobicContact CD1-CD2 4.44Å; L181-L227 HydrophobicContact CD2-CD2 4.41Å; I223-L227 HydrophobicContact CG2-CD1 4.12Å; I223-L227 HydrophobicContact CG2-CG 4.41Å; I223-L227 WeakPolarHBondContact O-CG 2.98Å; I223-L227 PolarHBondContact O-N 3.03Å; M224-L227 PolarHBondContact O-N 3.28Å; S225-L227 PolarHBondContact O-N 3.07Å; L227-S229 VanDerWaalsContact C-N 3.29Å; L227-S229 PolarHBondContact O-N 3.02Å; L227-I230 PolarHBondContact O-N 3.34Å; L227-F231 WeakPolarHBondContact O-CB 3.42Å; L227-F231 PolarHBondContact O-N 3.31Å
228L96.9Very high93.2Very high38 Ų3842 Ų4220%0.19922%0.217CC..Hα-helixtrans-64.8-34.2177.4-170.564.1000111.6L11 I14 T15 L18 M224 S225 F231 S232L11-L228 HydrophobicContact CD2-CD1 4.05Å; I14-L228 HydrophobicContact CB-CD2 4.4Å; I14-L228 HydrophobicContact CG2-CD2 3.77Å; T15-L228 WeakPolarHBondContact OG1-CD2 3.41Å; T15-L228 WeakPolarHBondContact OG1-CG 2.76Å; L18-L228 HydrophobicContact CD1-CD2 4.06Å; M224-L228 WeakPolarHBondContact O-CB 3.49Å; M224-L228 PolarHBondContact O-N 3.25Å; S225-L228 PolarHBondContact O-N 3.07Å; L228-F231 HydrophobicContact CD1-CD1 4.43Å; L228-F231 PolarHBondContact O-N 2.89Å; L228-S232 WeakPolarHBondContact O-CB 3.24Å; L228-S232 PolarHBondContact O-N 3.4Å
229S96.8Very high92.4Very high0 Ų043.4 Ų43.40%023%0.226CC..Hα-helixtrans-62.8-46.6173.8-164.20000111.9L173 S225 G226 L227 S232 S233L173-S229 PolarHBondContact O-OG 3.05Å; S225-S229 WeakPolarHBondContact O-CB 3.18Å; S225-S229 PolarHBondContact O-N 3.27Å; G226-S229 WeakPolarHBondContact O-CB 3.41Å; G226-S229 PolarHBondContact O-N 3.09Å; L227-S229 VanDerWaalsContact C-N 3.29Å; L227-S229 PolarHBondContact O-N 3.02Å; S229-S232 PolarHBondContact O-N 2.7Å; S229-S233 PolarHBondContact O-N 3.38Å
230I96.3Very high91.4Very high49 Ų4945.8 Ų45.825%0.25124%0.237SC..Hα-helixtrans-64.6-44.4176.8-65171.2000110.1L181 G226 L227 S232 S233 V234L181-I230 HydrophobicContact CD1-CD1 3.58Å; G226-I230 WeakPolarHBondContact O-CG1 3.22Å; G226-I230 PolarHBondContact O-N 3.39Å; G226-I230 VanDerWaalsContact O-N 3.17Å; L227-I230 PolarHBondContact O-N 3.34Å; I230-S232 VanDerWaalsContact C-N 3.32Å; I230-S232 PolarHBondContact O-N 3.48Å; I230-S233 WeakPolarHBondContact O-CB 3.33Å; I230-S233 PolarHBondContact O-N 3.33Å; I230-S233 VanDerWaalsContact O-N 3.14Å; I230-V234 WeakPolarHBondContact O-CG2 3.39Å; I230-V234 PolarHBondContact O-N 2.92Å; I230-V234 VanDerWaalsContact O-N 3.11Å
231F95.2Very high90.1Very high106 Ų10646 Ų4647%0.46524%0.24SC..Hα-helixtrans-58.9-44.7175.3-179.4-99.1000111.7L227 L228 S233 V234 F235L227-F231 WeakPolarHBondContact O-CB 3.42Å; L227-F231 PolarHBondContact O-N 3.31Å; L228-F231 HydrophobicContact CD1-CD1 4.43Å; L228-F231 PolarHBondContact O-N 2.89Å; F231-S233 VanDerWaalsContact C-N 3.28Å; F231-S233 PolarHBondContact O-N 3.03Å; F231-V234 PolarHBondContact O-N 2.83Å; F231-V234 VanDerWaalsContact O-N 3.13Å; F231-F235 HydrophobicContact CE1-CD2 4.3Å; F231-F235 HydrophobicContact CZ-CD2 4.43Å; F231-F235 WeakPolarHBondContact O-CB 3.31Å; F231-F235 PolarHBondContact O-N 3.4Å
232S93.2Very high88.7Confident0 Ų050.9 Ų50.90%026%0.259CS..Hα-helixtrans-63.5-31.9176.4-172.30000112.5W8 T12 L228 S229 I230 P236W8-S232 VanDerWaalsContact CD1-OG 3.22Å; W8-S232 PolarHBondContact NE1-O 3.41Å; W8-S232 PolarHBondContact NE1-OG 3.46Å; T12-S232 WeakPolarHBondContact CG2-OG 2.92Å; L228-S232 WeakPolarHBondContact O-CB 3.24Å; L228-S232 PolarHBondContact O-N 3.4Å; S229-S232 PolarHBondContact O-N 2.7Å; I230-S232 VanDerWaalsContact C-N 3.32Å; I230-S232 PolarHBondContact O-N 3.48Å; S232-P236 VanDerWaalsContact O-CD 3.23Å; S232-P236 WeakPolarHBondContact O-CD 3.13Å
233S93.4Very high87.3Confident9 Ų952.8 Ų52.86%0.06327%0.269CS..Hα-helixtrans-66.2-39.4172.3-178.60000112.3Q170 S229 I230 F231 P236Q170-S233 VanDerWaalsContact CG-O 3.32Å; Q170-S233 WeakPolarHBondContact CG-O 3.07Å; Q170-S233 PolarHBondContact NE2-O 2.49Å; Q170-S233 WeakPolarHBondContact O-CB 3.18Å; Q170-S233 PolarHBondContact O-OG 3.13Å; S229-S233 PolarHBondContact O-N 3.38Å; I230-S233 WeakPolarHBondContact O-CB 3.33Å; I230-S233 PolarHBondContact O-N 3.33Å; I230-S233 VanDerWaalsContact O-N 3.14Å; F231-S233 VanDerWaalsContact C-N 3.28Å; F231-S233 PolarHBondContact O-N 3.03Å; S233-P236 WeakPolarHBondContact O-CD 3.36Å
234V91.2Very high85.7Confident61 Ų6156 Ų5637%0.3729%0.286SS..Hα-helixtrans-83.2-30.8-177.7-179.40000112.5I230 F231 P236 N237 L238I230-V234 WeakPolarHBondContact O-CG2 3.39Å; I230-V234 PolarHBondContact O-N 2.92Å; I230-V234 VanDerWaalsContact O-N 3.11Å; F231-V234 PolarHBondContact O-N 2.83Å; F231-V234 VanDerWaalsContact O-N 3.13Å; V234-P236 VanDerWaalsContact C-CD 3.42Å; V234-P236 VanDerWaalsContact C-N 3.32Å; V234-P236 VanDerWaalsContact O-N 3.13Å; V234-N237 WeakPolarHBondContact O-CA 3.46Å; V234-N237 WeakPolarHBondContact O-CB 3.26Å; V234-N237 PolarHBondContact O-N 2.64Å; V234-L238 HydrophobicContact CG1-CD1 3.92Å; V234-L238 HydrophobicContact CG1-CD2 4.42Å; V234-L238 HydrophobicContact CG1-CG 3.93Å; V234-L238 PolarHBondContact O-N 2.74Å
235F89.4Confident84.5Confident38 Ų3856.7 Ų56.717%0.16729%0.286CS..Hα-helixtrans-46-46.7-174.9172.4-99000113.9I4 I7 W8 L11 F231 N237 L238 C239I4-F235 HydrophobicContact CG2-CE1 3.92Å; I4-F235 HydrophobicContact CG2-CZ 4.34Å; I7-F235 HydrophobicContact CB-CZ 4.38Å; I7-F235 HydrophobicContact CG2-CE1 4.12Å; I7-F235 HydrophobicContact CG2-CE2 4.38Å; I7-F235 HydrophobicContact CG2-CZ 3.72Å; W8-F235 HydrophobicContact CB-CD1 4.16Å; W8-F235 HydrophobicContact CB-CE1 4.18Å; W8-F235 HydrophobicContact CG-CD1 4.32Å; L11-F235 HydrophobicContact CD1-CD1 4.44Å; L11-F235 HydrophobicContact CD1-CD2 4.48Å; L11-F235 HydrophobicContact CD1-CG 4.35Å; F231-F235 HydrophobicContact CE1-CD2 4.3Å; F231-F235 HydrophobicContact CZ-CD2 4.43Å; F231-F235 WeakPolarHBondContact O-CB 3.31Å; F231-F235 PolarHBondContact O-N 3.4Å; F235-N237 PolarHBondContact O-N 2.87Å; F235-L238 WeakPolarHBondContact O-CB 3.36Å; F235-L238 PolarHBondContact O-N 3.37Å; F235-C239 PolarHBondContact O-N 2.81Å; F235-C239 VanDerWaalsContact O-N 3.15Å
236P83.5Confident83.2Confident1 Ų162.4 Ų62.41%0.00631%0.313CS..Hα-helixtrans-70.9-33.2-179.7-18.631.9000114.1W8 H166 S232 S233 V234 L238 C239 F240W8-P236 HydrophobicContact CD2-CG 3.61Å; W8-P236 HydrophobicContact CE3-CG 4Å; W8-P236 HydrophobicContact CG-CG 4.15Å; W8-P236 HydrophobicContact CH2-CG 3.95Å; W8-P236 HydrophobicContact CZ2-CG 3.53Å; W8-P236 HydrophobicContact CZ3-CG 4.19Å; H166-P236 WeakPolarHBondContact CE1-CB 3.36Å; H166-P236 WeakPolarHBondContact NE2-CB 3.26Å; H166-P236 WeakPolarHBondContact NE2-CG 3.31Å; S232-P236 VanDerWaalsContact O-CD 3.23Å; S232-P236 WeakPolarHBondContact O-CD 3.13Å; S233-P236 WeakPolarHBondContact O-CD 3.36Å; V234-P236 VanDerWaalsContact C-CD 3.42Å; V234-P236 VanDerWaalsContact C-N 3.32Å; V234-P236 VanDerWaalsContact O-N 3.13Å; P236-L238 PolarHBondContact O-N 2.86Å; P236-C239 PolarHBondContact O-N 3.02Å; P236-F240 HydrophobicContact CB-CD2 3.58Å; P236-F240 HydrophobicContact CB-CE2 3.52Å; P236-F240 VanDerWaalsContact O-CB 3.31Å; P236-F240 WeakPolarHBondContact O-CB 3.32Å; P236-F240 WeakPolarHBondContact O-CD2 3.4Å; P236-F240 WeakPolarHBondContact O-CG 3.48Å; P236-F240 PolarHBondContact O-N 3.08Å
237N82.1Confident81.9Confident88 Ų8866 Ų6647%0.47133%0.332SS..Hα-helixtrans-63.4-26.6173.6-70.4-27000111.7Q170 V234 F235 P241Q170-N237 PolarHBondContact NE2-ND2 2.86Å; Q170-N237 PolarHBondContact NE2-OD1 3.13Å; Q170-N237 PolarHBondContact OE1-OD1 3.27Å; V234-N237 WeakPolarHBondContact O-CA 3.46Å; V234-N237 WeakPolarHBondContact O-CB 3.26Å; V234-N237 PolarHBondContact O-N 2.64Å; F235-N237 PolarHBondContact O-N 2.87Å; N237-P241 WeakPolarHBondContact O-CD 3.47Å; N237-P241 WeakPolarHBondContact O-CG 3.39Å
238L81.3Confident80.7Confident96 Ų9668.2 Ų68.250%0.50334%0.338SS..Hα-helixtrans-80.5-32176.3-62.7173000112.2V234 F235 P236V234-L238 HydrophobicContact CG1-CD1 3.92Å; V234-L238 HydrophobicContact CG1-CD2 4.42Å; V234-L238 HydrophobicContact CG1-CG 3.93Å; V234-L238 PolarHBondContact O-N 2.74Å; F235-L238 WeakPolarHBondContact O-CB 3.36Å; F235-L238 PolarHBondContact O-N 3.37Å; P236-L238 PolarHBondContact O-N 2.86Å
239C76Confident79.8Confident30 Ų3071.1 Ų71.120%0.20335%0.35CS..Hα-helixtrans-90.7-44.2-173.8-1540000112.7I4 F235 P236 K242 I243I4-C239 HydrophobicContact CG2-CB 4.07Å; F235-C239 PolarHBondContact O-N 2.81Å; F235-C239 VanDerWaalsContact O-N 3.15Å; P236-C239 PolarHBondContact O-N 3.02Å; C239-K242 PolarHBondContact O-N 2.89Å; C239-I243 WeakPolarHBondContact O-CD1 3.32Å; C239-I243 WeakPolarHBondContact O-CG1 3.48Å; C239-I243 PolarHBondContact O-N 3.48Å; C239-I243 VanDerWaalsContact SG-CD1 3.54Å
240F72.6Confident78.7Confident78 Ų7875.6 Ų75.634%0.34237%0.374SS..Hα-helixtrans-60.8-48.8-175.7-77.5-60.5000115.3H166 P236 K242 I243 L244H166-F240 AromaticContact CD2-CE2 3.6Å; H166-F240 AromaticContact CE1-CE2 3.96Å; H166-F240 AromaticContact NE2-CD2 3.83Å; H166-F240 AromaticContact NE2-CE2 3.35Å; H166-F240 VanDerWaalsContact NE2-CE2 3.35Å; H166-F240 WeakPolarHBondContact NE2-CE2 3.43Å; P236-F240 HydrophobicContact CB-CD2 3.58Å; P236-F240 HydrophobicContact CB-CE2 3.52Å; P236-F240 VanDerWaalsContact O-CB 3.31Å; P236-F240 WeakPolarHBondContact O-CB 3.32Å; P236-F240 WeakPolarHBondContact O-CD2 3.4Å; P236-F240 WeakPolarHBondContact O-CG 3.48Å; P236-F240 PolarHBondContact O-N 3.08Å; F240-K242 PolarHBondContact O-N 3.22Å; F240-I243 PolarHBondContact O-N 3.09Å; F240-L244 PolarHBondContact O-N 2.72Å
241P68.7Low77.8Confident75 Ų7577.8 Ų77.849%0.48739%0.386SS..Hα-helixtrans-68.9-34.8-178.325.4-32.4000112.4N237 I243 L244 F245N237-P241 WeakPolarHBondContact O-CD 3.47Å; N237-P241 WeakPolarHBondContact O-CG 3.39Å; P241-I243 PolarHBondContact O-N 2.98Å; P241-L244 PolarHBondContact O-N 3.45Å; P241-F245 WeakPolarHBondContact O-CB 3Å; P241-F245 PolarHBondContact O-N 2.8Å
242K66.5Low76.9Confident151 Ų15179.2 Ų79.266%0.65739%0.392SS*.Hα-helixtrans-62.1-44.4176.6-72.7-173.6178-178.80111.2C239 F240 F245 E246C239-K242 PolarHBondContact O-N 2.89Å; F240-K242 PolarHBondContact O-N 3.22Å; K242-F245 WeakPolarHBondContact O-CB 2.97Å; K242-F245 PolarHBondContact O-N 3.16Å; K242-E246 WeakPolarHBondContact O-CG 3.41Å; K242-E246 PolarHBondContact O-N 3.21Å
243I64.9Low75.9Confident41 Ų4181.9 Ų81.921%0.2141%0.411CS..Hα-helixtrans-72.9-36.9-178.1-62159.6000111.7M1 I4 C239 F240 P241 F245 E246 I247M1-I243 HydrophobicContact CE-CB 4.13Å; M1-I243 HydrophobicContact CE-CG2 3.3Å; M1-I243 HydrophobicContact SD-CD1 4.46Å; M1-I243 HydrophobicContact SD-CG2 4.1Å; I4-I243 HydrophobicContact CD1-CD1 3.09Å; I4-I243 HydrophobicContact CD1-CG1 4.5Å; I4-I243 HydrophobicContact CG1-CD1 4.29Å; C239-I243 WeakPolarHBondContact O-CD1 3.32Å; C239-I243 WeakPolarHBondContact O-CG1 3.48Å; C239-I243 PolarHBondContact O-N 3.48Å; C239-I243 VanDerWaalsContact SG-CD1 3.54Å; F240-I243 PolarHBondContact O-N 3.09Å; P241-I243 PolarHBondContact O-N 2.98Å; I243-F245 VanDerWaalsContact C-N 3.26Å; I243-F245 PolarHBondContact O-N 3.06Å; I243-E246 PolarHBondContact O-N 3.26Å; I243-I247 HydrophobicContact CG2-CD1 3.82Å; I243-I247 HydrophobicContact CG2-CG1 4.3Å; I243-I247 VanDerWaalsContact O-CG1 3.27Å; I243-I247 WeakPolarHBondContact O-CG1 3.45Å; I243-I247 PolarHBondContact O-N 3.17Å
244L64.5Low75Confident119 Ų11987.4 Ų87.462%0.62344%0.436SS*.Hα-helixtrans-63.3-37.8174.3-172.167.6000111.2F240 P241 K248F240-L244 PolarHBondContact O-N 2.72Å; P241-L244 PolarHBondContact O-N 3.45Å; L244-K248 VanDerWaalsContact O-CB 3.3Å; L244-K248 WeakPolarHBondContact O-CB 3.26Å; L244-K248 PolarHBondContact O-N 3.08Å
245F70.2Confident74Confident123 Ų12393.6 Ų93.654%0.53945%0.452SS..Hα-helixtrans-64.9-46.6174.7-173.3-101.3000111.8P241 K242 I243 I247 K248 Q249P241-F245 WeakPolarHBondContact O-CB 3Å; P241-F245 PolarHBondContact O-N 2.8Å; K242-F245 WeakPolarHBondContact O-CB 2.97Å; K242-F245 PolarHBondContact O-N 3.16Å; I243-F245 VanDerWaalsContact C-N 3.26Å; I243-F245 PolarHBondContact O-N 3.06Å; F245-I247 PolarHBondContact O-N 3.15Å; F245-K248 PolarHBondContact O-N 3.47Å; F245-Q249 HydrophobicContact CD1-CG 4.27Å; F245-Q249 HydrophobicContact CE1-CG 4.03Å; F245-Q249 HydrophobicContact CZ-CG 4.26Å; F245-Q249 WeakPolarHBondContact O-CG 3.37Å; F245-Q249 PolarHBondContact O-N 2.98Å
246E70Confident73.2Confident119 Ų11996.5 Ų96.556%0.55647%0.473SS*.Hα-helixtrans-59.2-44.6175.2-73.3-66.6160.900112.3K242 I243 K248 Q249 N250K242-E246 WeakPolarHBondContact O-CG 3.41Å; K242-E246 PolarHBondContact O-N 3.21Å; I243-E246 PolarHBondContact O-N 3.26Å; E246-K248 PolarHBondContact O-N 2.77Å; E246-Q249 PolarHBondContact O-N 2.75Å; E246-N250 WeakPolarHBondContact O-CB 3.41Å; E246-N250 PolarHBondContact O-N 3.12Å
247I69.8Low72.7Confident76 Ų76103.1 Ų103.139%0.3950%0.502SS..Hα-helixtrans-64.4-42.4176.6-67.3167000110.7M1 I243 F245 Q249 N250 N251M1-I247 HydrophobicContact CE-CD1 3.97Å; I243-I247 HydrophobicContact CG2-CD1 3.82Å; I243-I247 HydrophobicContact CG2-CG1 4.3Å; I243-I247 VanDerWaalsContact O-CG1 3.27Å; I243-I247 WeakPolarHBondContact O-CG1 3.45Å; I243-I247 PolarHBondContact O-N 3.17Å; F245-I247 PolarHBondContact O-N 3.15Å; I247-Q249 VanDerWaalsContact C-N 3.32Å; I247-Q249 PolarHBondContact O-N 3.36Å; I247-N250 PolarHBondContact O-N 3.22Å; I247-N251 VanDerWaalsContact O-CB 3.25Å; I247-N251 WeakPolarHBondContact O-CB 3.5Å; I247-N251 VanDerWaalsContact O-CG 3.25Å; I247-N251 PolarHBondContact O-N 3.31Å
248K72.8Confident72Confident135 Ų135105.2 Ų105.259%0.58751%0.507SS*.Hα-helixtrans-65.6-36.2178.1-168.1173.6-175.4177.20111.5L244 F245 E246 K252L244-K248 VanDerWaalsContact O-CB 3.3Å; L244-K248 WeakPolarHBondContact O-CB 3.26Å; L244-K248 PolarHBondContact O-N 3.08Å; F245-K248 PolarHBondContact O-N 3.47Å; E246-K248 PolarHBondContact O-N 2.77Å; K248-K252 WeakPolarHBondContact O-CB 3.34Å; K248-K252 VanDerWaalsContact O-CG 3.31Å; K248-K252 WeakPolarHBondContact O-CG 3.44Å; K248-K252 PolarHBondContact O-N 3.03Å; K248-K252 VanDerWaalsContact O-N 3.11Å
249Q76.8Confident71Confident99 Ų99105.3 Ų105.346%0.46351%0.508SS..Hα-helixtrans-70.3-46.6174.3-75.9-155.3-5.200112.2F245 E246 I247 N251 K252 S253F245-Q249 HydrophobicContact CD1-CG 4.27Å; F245-Q249 HydrophobicContact CE1-CG 4.03Å; F245-Q249 HydrophobicContact CZ-CG 4.26Å; F245-Q249 WeakPolarHBondContact O-CG 3.37Å; F245-Q249 PolarHBondContact O-N 2.98Å; E246-Q249 PolarHBondContact O-N 2.75Å; I247-Q249 VanDerWaalsContact C-N 3.32Å; I247-Q249 PolarHBondContact O-N 3.36Å; Q249-N251 PolarHBondContact O-N 3.47Å; Q249-K252 WeakPolarHBondContact O-CB 3.39Å; Q249-K252 PolarHBondContact O-N 3.21Å; Q249-S253 WeakPolarHBondContact O-CB 3.37Å; Q249-S253 PolarHBondContact O-N 2.9Å
250N75.3Confident70.5Confident93 Ų93110.6 Ų110.650%0.49753%0.528SS..Hα-helixtrans-64.3-41.8179.7-160.99.3000111.1E246 I247 K252 S253 Q254E246-N250 WeakPolarHBondContact O-CB 3.41Å; E246-N250 PolarHBondContact O-N 3.12Å; I247-N250 PolarHBondContact O-N 3.22Å; N250-K252 PolarHBondContact O-N 2.8Å; N250-S253 PolarHBondContact O-N 2Å; N250-Q254 WeakPolarHBondContact O-CG 2.95Å; N250-Q254 PolarHBondContact O-N 2.99Å
251N76.1Confident69.8Low96 Ų96111.8 Ų111.851%0.51354%0.538SS..Hα-helixtrans-63.8-37.4174-75.3-10.4000112.7I247 Q249 R255I247-N251 VanDerWaalsContact O-CB 3.25Å; I247-N251 WeakPolarHBondContact O-CB 3.5Å; I247-N251 VanDerWaalsContact O-CG 3.25Å; I247-N251 PolarHBondContact O-N 3.31Å; Q249-N251 PolarHBondContact O-N 3.47Å; N251-R255 WeakPolarHBondContact O-CB 3.33Å; N251-R255 PolarHBondContact O-N 3.13Å
252K77.3Confident69Low135 Ų135113.8 Ų113.859%0.58754%0.541SS*.Hα-helixtrans-64.2-47172.2-81.9-178.7176.2-169.50111.2K248 Q249 N250 Q254 R255 T256K248-K252 WeakPolarHBondContact O-CB 3.34Å; K248-K252 VanDerWaalsContact O-CG 3.31Å; K248-K252 WeakPolarHBondContact O-CG 3.44Å; K248-K252 PolarHBondContact O-N 3.03Å; K248-K252 VanDerWaalsContact O-N 3.11Å; Q249-K252 WeakPolarHBondContact O-CB 3.39Å; Q249-K252 PolarHBondContact O-N 3.21Å; N250-K252 PolarHBondContact O-N 2.8Å; K252-Q254 PolarHBondContact O-N 3.36Å; K252-R255 PolarHBondContact O-N 3.41Å; K252-T256 PolarHBondContact O-N 2.84Å; K252-T256 PolarHBondContact O-OG1 2.88Å
253S72.2Confident68.5Low57 Ų57112 Ų11240%0.39954%0.543SS..Hα-helixtrans-60.7-42.9178.4-173.70000112Q249 N250 T256 K257Q249-S253 WeakPolarHBondContact O-CB 3.37Å; Q249-S253 PolarHBondContact O-N 2.9Å; N250-S253 PolarHBondContact O-N 2Å; S253-T256 PolarHBondContact O-N 2.99Å; S253-K257 WeakPolarHBondContact O-CG 3.24Å; S253-K257 PolarHBondContact O-N 3.16Å
254Q74.1Confident68Low124 Ų124115.9 Ų115.958%0.57956%0.564SS**Hα-helixtrans-67.1-40174.6-70.5-153-3.200112.7N250 K252 T256 K257 F258N250-Q254 WeakPolarHBondContact O-CG 2.95Å; N250-Q254 PolarHBondContact O-N 2.99Å; K252-Q254 PolarHBondContact O-N 3.36Å; Q254-T256 VanDerWaalsContact C-N 3.32Å; Q254-T256 PolarHBondContact O-N 3.22Å; Q254-K257 PolarHBondContact O-N 3.37Å; Q254-F258 WeakPolarHBondContact O-CB 3.25Å; Q254-F258 PolarHBondContact O-N 2.89Å
255R70.2Confident67.6Low191 Ų191117.1 Ų117.172%0.72157%0.571SS**Hα-helixtrans-59.7-41.7171.8-106.4-174.9-173.9178.92.3112.3N251 K252 F258 N259N251-R255 WeakPolarHBondContact O-CB 3.33Å; N251-R255 PolarHBondContact O-N 3.13Å; K252-R255 PolarHBondContact O-N 3.41Å; R255-F258 PolarHBondContact O-N 2.86Å; R255-N259 WeakPolarHBondContact O-CB 3.4Å; R255-N259 PolarHBondContact O-N 3.5Å
256T73Confident66.4Low99 Ų99113.6 Ų113.661%0.60757%0.57SS**Hα-helixtrans-67.4-38.8178.4-48.70000111.6K252 S253 Q254 K260K252-T256 PolarHBondContact O-N 2.84Å; K252-T256 PolarHBondContact O-OG1 2.88Å; S253-T256 PolarHBondContact O-N 2.99Å; Q254-T256 VanDerWaalsContact C-N 3.32Å; Q254-T256 PolarHBondContact O-N 3.22Å; T256-K260 WeakPolarHBondContact O-CB 3.48Å; T256-K260 PolarHBondContact O-N 3.15Å
257K72.4Confident65Low141 Ų141116 Ų11661%0.61359%0.585SS**Hα-helixtrans-67.1-42.7174.3-73.3-178.6-179.8-176.10112.5S253 Q254 K260 N261S253-K257 WeakPolarHBondContact O-CG 3.24Å; S253-K257 PolarHBondContact O-N 3.16Å; Q254-K257 PolarHBondContact O-N 3.37Å; K257-K260 PolarHBondContact O-N 2.93Å; K257-N261 PolarHBondContact O-N 3.29Å; K257-N261 PolarHBondContact O-OD1 3.19Å
258F66.7Low63.6Low131 Ų131119.7 Ų119.758%0.57560%0.604SS**Hα-helixtrans-66.6-43.9178.3-171.5-97.1000111.9Q254 R255 K260 N261 Q262Q254-F258 WeakPolarHBondContact O-CB 3.25Å; Q254-F258 PolarHBondContact O-N 2.89Å; R255-F258 PolarHBondContact O-N 2.86Å; F258-K260 VanDerWaalsContact C-N 3.3Å; F258-K260 PolarHBondContact O-N 3.38Å; F258-N261 PolarHBondContact O-N 3.14Å; F258-Q262 VanDerWaalsContact CZ-OE1 3.27Å; F258-Q262 WeakPolarHBondContact O-CB 3.36Å; F258-Q262 PolarHBondContact O-N 3.32Å
259N61.6Low62Low98 Ų98118.2 Ų118.252%0.52461%0.608SS.*Hα-helixtrans-62.1-38.1174-78.7-0.4000111.6R255 Q262 T263R255-N259 WeakPolarHBondContact O-CB 3.4Å; R255-N259 PolarHBondContact O-N 3.5Å; N259-Q262 PolarHBondContact O-N 3.34Å; N259-T263 PolarHBondContact O-N 3.48Å; N259-T263 PolarHBondContact O-OG1 3.48Å
260K65.5Low60.1Low141 Ų141122 Ų12261%0.61363%0.626SS**Hα-helixtrans-64.8-47.9177.4-166.1171.6-178.2176.30111.8T256 K257 F258 Q262 T263 D264T256-K260 WeakPolarHBondContact O-CB 3.48Å; T256-K260 PolarHBondContact O-N 3.15Å; K257-K260 PolarHBondContact O-N 2.93Å; F258-K260 VanDerWaalsContact C-N 3.3Å; F258-K260 PolarHBondContact O-N 3.38Å; K260-Q262 VanDerWaalsContact C-N 3.33Å; K260-Q262 PolarHBondContact O-N 3.33Å; K260-T263 PolarHBondContact O-N 2.64Å; K260-D264 PolarHBondContact O-N 3.19Å
261N56.6Low58.2Low104 Ų104125.9 Ų125.956%0.55664%0.639SS**Hα-helixtrans-64.5-36.3177.3-677.9000112.3K257 F258 T263 D264 D265K257-N261 PolarHBondContact O-N 3.29Å; K257-N261 PolarHBondContact O-OD1 3.19Å; F258-N261 PolarHBondContact O-N 3.14Å; N261-T263 VanDerWaalsContact C-N 3.33Å; N261-T263 PolarHBondContact O-N 2.99Å; N261-D264 PolarHBondContact O-N 3.27Å; N261-D265 PolarHBondContact O-N 2.88Å
262Q53.3Low56.4Low116 Ų116127.7 Ų127.754%0.54265%0.647SS.*Hα-helixtrans-74.4-22.1177.3-166.7123.339.600113.3F258 N259 K260 G266F258-Q262 VanDerWaalsContact CZ-OE1 3.27Å; F258-Q262 WeakPolarHBondContact O-CB 3.36Å; F258-Q262 PolarHBondContact O-N 3.32Å; N259-Q262 PolarHBondContact O-N 3.34Å; K260-Q262 VanDerWaalsContact C-N 3.33Å; K260-Q262 PolarHBondContact O-N 3.33Å; Q262-G266 PolarHBondContact O-N 2.85Å
263T54.8Low54.3Low115 Ų115126.4 Ų126.471%0.70665%0.651SS**Hα-helixtrans-79.2-28174-41.20000111.2N259 K260 N261N259-T263 PolarHBondContact O-N 3.48Å; N259-T263 PolarHBondContact O-OG1 3.48Å; K260-T263 PolarHBondContact O-N 2.64Å; N261-T263 VanDerWaalsContact C-N 3.33Å; N261-T263 PolarHBondContact O-N 2.99Å
264D55.7Low52.7Low121 Ų121132.5 Ų132.565%0.64767%0.673SS**Hα-helixtrans-81.4-25.2178.1-67-22.7000112.5K260 N261K260-D264 PolarHBondContact O-N 3.19Å; N261-D264 PolarHBondContact O-N 3.27Å
265D55Low50.8Low145 Ų145133.4 Ų133.478%0.77568%0.682SS**SBendtrans-109.44.3-176.5-62.7-28.7000115N261N261-D265 PolarHBondContact O-N 2.88Å
266G44.2Very low49.1Very low50 Ų50132.4 Ų132.452%0.51569%0.69SS.*  trans-112.721.2-161.200000118.3Q262 I268Q262-G266 PolarHBondContact O-N 2.85Å; G266-I268 PolarHBondContact O-N 2.94Å; G266-I268 VanDerWaalsContact O-N 3.08Å
267L41.9Very low47Very low168 Ų168132.2 Ų132.288%0.8869%0.693SS**  trans-73.494.2169.3-157.387000108.8
268I40.8Very low45.2Very low155 Ų155134.1 Ų134.180%0.79571%0.706SS**  trans162.9119.9148.7-78.8148.7000109.2G266G266-I268 PolarHBondContact O-N 2.94Å; G266-I268 VanDerWaalsContact O-N 3.08Å
269P37.5Very low43.6Very low103 Ų103134.3 Ų134.367%0.66972%0.718SS**  trans-94.2149.2174.235.2-27.5000111.1
270H37.4Very low42.5Very low178 Ų178135.4 Ų135.482%0.82473%0.731SS**  trans156.8147.7135.1-94-82000113
271F36.7Very low41Very low176 Ų176135 Ų13577%0.77274%0.74SS**  trans99.889.9151.9-106.5-110.1000120.5
272L37.4Very low39.8Very low133 Ų133137.2 Ų137.270%0.69675%0.75SS**  74.8122.8121-79164.9000122.7
273T32.5Very low39Very low109 Ų109138.6 Ų138.667%0.66977%0.766SS**  trans-61.6151.9167.843.90000115.2
274H40Very low38.3Very low184 Ų184137.1 Ų137.185%0.85277%0.766SS**  -168133.7128.2-105.1-74.1000112.8
275D32.9Very low37.6Very low144 Ų144137.4 Ų137.477%0.7777%0.774SS**  trans-67.7159.8178.5-65.8-70.8000115.6
276L35.6Very low36.6Very low169 Ų169135.3 Ų135.389%0.88578%0.777SS**  -174.3133.6124-97.7153.6000113.6
277S27.8Very low36.5Very low96 Ų96139.8 Ų139.867%0.67180%0.795SS**  trans-96.4156.7177.4150.30000111
278M35.8Very low36.4Very low180 Ų180137.8 Ų137.889%0.88779%0.792SS**  trans-178.4143.7132.2-95.7173.3-141.600113.4
279T32.8Very low36.1Very low136 Ų136134.3 Ų134.383%0.83479%0.794SS**  trans-118.7177.8-170.6170000112.3
280P38.1Very low35.9Very low121 Ų121133 Ų13379%0.78680%0.799SS**  trans-113.2-170.1-137.245.6-38000116.6
281T34.2Very low35.9Very low133 Ų133130.4 Ų130.482%0.81680%0.798SS**  trans-133.9118.4178.3-37.90000115.6
282I32Very low36.2Very low149 Ų149127.7 Ų127.776%0.76480%0.798SS**  trans6.2138.6140.9-51.3173.2000121.4
283V35.1Very low36Very low145 Ų145126.4 Ų126.488%0.87980%0.8SS**  -159.4141.5127.2-177.50000110.9
284A40.1Very low36Very low84 Ų84127.5 Ų127.569%0.69481%0.806SS**  trans-124.5-168.6-174.600000112.4
285P41.3Very low35.4Very low128 Ų128127.2 Ų127.283%0.83181%0.805SS**  -121.3-172.7-122.531.6-7.2000115.4
286A35.4Very low35.1Very low101 Ų101127 Ų12784%0.83581%0.809SS**  trans-136.5158.3171.200000113.8
287T41.5Very low34.7Very low143 Ų143125.4 Ų125.488%0.87781%0.807SS**  trans-104.3179.9-145.312.60000116.3
288P40Very low34.7Very low127 Ų127126.2 Ų126.283%0.82581%0.812SS**  trans-112.9-179.1-155.944.1-37.6000116.9
289G33.7Very low34.3Very low81 Ų81124.6 Ų124.684%0.83581%0.813SS**  trans-174.8152.2157.800000109.3
290G33.2Very low34.2Very low75 Ų75123.8 Ų123.877%0.77381%0.813SS**  cis-178.8158.4-5.100000106.6
291P37.5Very low33.7Very low125 Ų125125.6 Ų125.681%0.81282%0.815SS**  trans-115.1-152.8-177.638.4-22.4000111.8
292P43.9Very low33.5Very low118 Ų118129.5 Ų129.577%0.76682%0.815SS**  -126.6-177.4-60.132-12.5000112.6
293S33.5Very low33.5Very low106 Ų106128.9 Ų128.974%0.74182%0.818SS**  trans-174.1124.9150.9500000115
294V31.9Very low34Very low132 Ų132123.6 Ų123.680%0.879%0.788SS**  75.9128.6107-157.10000112.4
295E28.4Very low34.5Very low178 Ų178121.1 Ų121.183%0.83276%0.762SS**  -169.5159.363.3-81.7178.8160.400113.5
296T24.8Very low35.2Very low139 Ų139119.9 Ų119.985%0.85376%0.755SS**  trans-108.2144.9176.6-60.30000109.8
297V29Very low36.4Very low137 Ų137120.2 Ų120.283%0.8373%0.734SS**  trans-126.5139.8169.5176.40000111.2
298S27.3Very low37.4Very low113 Ų113113.6 Ų113.679%0.7969%0.694SS**  trans-72.4152.4-169.3-16.50000115.2
299T26.5Very low38.8Very low145 Ų145111.1 Ų111.189%0.8967%0.671SS**  trans-86.1149.8174.737.70000113.2
300S31.5Very low40.1Very low120 Ų120109.6 Ų109.684%0.83964%0.642SS**  trans-104.1130.5169.359.90000111.7
301L26.5Very low41.2Very low158 Ų158109.3 Ų109.383%0.82763%0.625SS**  trans-65.4135.3178.3-123.983.4000112.6
302R30.3Very low41.2Very low215 Ų215109 Ų10981%0.81162%0.616SS**  trans-124.7124.1157.4-138.4179-164.8175.14.2107.5S304R302-S304 PolarHBondContact O-N 3.15Å; R302-S304 VanDerWaalsContact O-N 3.15Å
303T33.3Very low41Very low137 Ų137109.5 Ų109.584%0.8461%0.612SS**  trans-69104.3-174.448.50000111.2
304S44.5Very low41Very low34 Ų34113.9 Ų113.924%0.23862%0.621CS.*SBendtrans-111.2-179.2158.243.80000108.8R302 I308 H310R302-S304 PolarHBondContact O-N 3.15Å; R302-S304 VanDerWaalsContact O-N 3.15Å; S304-I308 PolarHBondContact OG-O 3.46Å; S304-H310 WeakPolarHBondContact CB-CD2 3.29Å; S304-H310 WeakPolarHBondContact CB-NE2 3.46Å; S304-H310 PolarHBondContact OG-CD2 2.79Å; S304-H310 VanDerWaalsContact OG-CD2 3.28Å
305D50.5Low41.2Very low31 Ų31110.6 Ų110.617%0.16660%0.604CS.*  trans-39.4118.9170.3-177-32.3000107.6R307 I308D305-R307 PolarHBondContact O-N 2.92Å; D305-R307 WeakPolarHBondContact OD1-CB 3.43Å; D305-R307 IonicContact OD1-CZ 2.79Å; D305-R307 PolarHBondContact OD1-N 3.23Å; D305-R307 IonicContact OD1-NE 3.74Å; D305-R307 PolarHBondContact OD1-NE 3.34Å; D305-R307 IonicContact OD1-NH2 2.66Å; D305-R307 IonicContact OD2-CZ 3.04Å; D305-R307 IonicContact OD2-NE 3.73Å; D305-R307 IonicContact OD2-NH2 3.46Å; D305-R307 PolarHBondContact OD2-NH2 3.05Å; D305-I308 PolarHBondContact O-N 3.47Å; D305-I308 VanDerWaalsContact O-O 3.12Å
306P56.5Low41.4Very low103 Ų103106.5 Ų106.567%0.66959%0.593SS**THydrogen-bonded Turntrans-59.3-12.6-167.522.2-33.9000112.4N123N123-P306 PolarHBondContact ND2-O 2.99Å
307R60.7Low42Very low108 Ų108110.4 Ų110.441%0.40859%0.592SS.*THydrogen-bonded Turntrans-80.9-25.1175.2-60.9178.4-72.7179.50.4113.9Y119 E120 N123 D305Y119-R307 VanDerWaalsContact CA-O 3.23Å; Y119-R307 WeakPolarHBondContact CA-O 3.27Å; E120-R307 PolarHBondContact N-O 3.49Å; N123-R307 HydrophobicContact CB-CB 3.77Å; N123-R307 HydrophobicContact CB-CG 3.83Å; D305-R307 PolarHBondContact O-N 2.92Å; D305-R307 WeakPolarHBondContact OD1-CB 3.43Å; D305-R307 IonicContact OD1-CZ 2.79Å; D305-R307 PolarHBondContact OD1-N 3.23Å; D305-R307 IonicContact OD1-NE 3.74Å; D305-R307 PolarHBondContact OD1-NE 3.34Å; D305-R307 IonicContact OD1-NH2 2.66Å; D305-R307 IonicContact OD2-CZ 3.04Å; D305-R307 IonicContact OD2-NE 3.73Å; D305-R307 IonicContact OD2-NH2 3.46Å; D305-R307 PolarHBondContact OD2-NH2 3.05Å
308I61.4Low42.4Very low4 Ų4111.3 Ų111.32%0.02159%0.591CS.*EExtended strand (participates in β ladder)trans-129.9120.1-167.7-49.2178.4000112.4Y68 Y118 Y119 S304 D305Y68-I308 HydrophobicContact CD2-CD1 4.19Å; Y68-I308 HydrophobicContact CE1-CD1 4.48Å; Y68-I308 HydrophobicContact CE1-CG2 4.4Å; Y68-I308 HydrophobicContact CE2-CD1 3.69Å; Y68-I308 WeakPolarHBondContact OH-CG2 3.41Å; Y118-I308 VanDerWaalsContact N-CG2 3.32Å; Y118-I308 CarbonylContact O-C 3.54Å; Y118-I308 WeakPolarHBondContact O-CA 3.18Å; Y119-I308 HydrophobicContact CD1-CD1 4.31Å; Y119-I308 HydrophobicContact CD1-CG1 3.79Å; Y119-I308 HydrophobicContact CE1-CD1 3.73Å; Y119-I308 HydrophobicContact CE1-CG1 3.75Å; S304-I308 PolarHBondContact OG-O 3.46Å; D305-I308 PolarHBondContact O-N 3.47Å; D305-I308 VanDerWaalsContact O-O 3.12Å
309H69.2Low42.9Very low75 Ų75115 Ų11535%0.34759%0.593SS.*EExtended strand (participates in β ladder)trans-92.4133.6174.7-70.6-86.4000111.9G117 Y118 E120G117-H309 CarbonylContact C-O 3.4Å; G117-H309 VanDerWaalsContact CA-O 3.3Å; G117-H309 WeakPolarHBondContact CA-O 3.35Å; Y118-H309 PolarHBondContact N-O 3.2Å; Y118-H309 PolarHBondContact O-N 3.18Å; E120-H309 VanDerWaalsContact CD-NE2 3.27Å; E120-H309 WeakPolarHBondContact CG-CD2 3.46Å; E120-H309 WeakPolarHBondContact CG-NE2 3.21Å; E120-H309 IonicContact OE1-CD2 3.03Å; E120-H309 IonicContact OE1-CE1 2.7Å; E120-H309 PolarHBondContact OE1-CE1 3.15Å; E120-H309 IonicContact OE1-NE2 3.79Å; E120-H309 PolarHBondContact OE1-NE2 3.49Å
310H61.1Low43.4Very low48 Ų48112.8 Ų112.822%0.22258%0.579CS.*EExtended strand (participates in β ladder)trans-90.7149.9177.4-63-76.1000112.6Y68 Q113 S304Y68-H310 AromaticContact CZ-CE1 3.71Å; Y68-H310 PolarHBondContact OH-CE1 2.68Å; Y68-H310 PolarHBondContact OH-NE2 3.48Å; Q113-H310 PolarHBondContact NE2-CE1 3.17Å; Q113-H310 PolarHBondContact NE2-ND1 3.44Å; Q113-H310 PolarHBondContact OE1-CE1 3.14Å; Q113-H310 PolarHBondContact OE1-NE2 3.09Å; Q113-H310 VanDerWaalsContact OE1-NE2 3.12Å; S304-H310 WeakPolarHBondContact CB-CD2 3.29Å; S304-H310 WeakPolarHBondContact CB-NE2 3.46Å; S304-H310 PolarHBondContact OG-CD2 2.79Å; S304-H310 VanDerWaalsContact OG-CD2 3.28Å
311V56.2Low43.5Very low70 Ų70118 Ų11842%0.42458%0.581SS.*  trans-122.4112.5165.2-174.70000107.3Y118 L313Y118-V311 HydrophobicContact CD2-CG2 3.9Å; Y118-V311 HydrophobicContact CE2-CB 4.27Å; Y118-V311 HydrophobicContact CE2-CG2 3.57Å; V311-L313 VanDerWaalsContact C-N 3.31Å; V311-L313 HydrophobicContact CG1-CB 3.95Å; V311-L313 HydrophobicContact CG1-CD1 3.94Å; V311-L313 PolarHBondContact O-N 2.92Å; V311-L313 VanDerWaalsContact O-N 3.09Å
312D38.6Very low43.9Very low118 Ų118114.9 Ų114.963%0.63158%0.578SS**  trans-78.584.7167.7-66.4-37.8000107.7N115N115-D312 PolarHBondContact ND2-OD1 3.24Å
313L38.5Very low44Very low129 Ų129109.9 Ų109.968%0.67558%0.575SS**  trans-104.690.8178.3-145.780000111V311 S315V311-L313 VanDerWaalsContact C-N 3.31Å; V311-L313 HydrophobicContact CG1-CB 3.95Å; V311-L313 HydrophobicContact CG1-CD1 3.94Å; V311-L313 PolarHBondContact O-N 2.92Å; V311-L313 VanDerWaalsContact O-N 3.09Å; L313-S315 VanDerWaalsContact C-N 3.31Å; L313-S315 PolarHBondContact O-N 3.01Å; L313-S315 VanDerWaalsContact O-N 3.13Å
314E34.2Very low43.9Very low198 Ų198110.4 Ų110.493%0.92557%0.572SS**  trans-7388.6154.9-135.3-171.112900107.7
315S36.1Very low43.4Very low63 Ų63115.7 Ų115.744%0.44160%0.597SS.*  trans-115.9110.5173.266.40000110.8L313 W317L313-S315 VanDerWaalsContact C-N 3.31Å; L313-S315 PolarHBondContact O-N 3.01Å; L313-S315 VanDerWaalsContact O-N 3.13Å; S315-W317 VanDerWaalsContact C-N 3.26Å; S315-W317 PolarHBondContact O-N 2.96Å; S315-W317 VanDerWaalsContact O-N 3.09Å
316P32.4Very low42.7Very low92 Ų92120.6 Ų120.660%0.59763%0.628SS**G310 helixtrans-727.1-171.8-19.532000117.7L318P316-L318 PolarHBondContact O-N 2.74Å
317W36.8Very low41.4Very low220 Ų220121.1 Ų121.183%0.83363%0.632SS**G310 helixtrans-86.2-3.2-165.7-58.386000115.3S315S315-W317 VanDerWaalsContact C-N 3.26Å; S315-W317 PolarHBondContact O-N 2.96Å; S315-W317 VanDerWaalsContact O-N 3.09Å
318L37.8Very low40Very low156 Ų156123.3 Ų123.382%0.81765%0.65SS**G310 helixtrans-112.32.1-178.1-88.4159.5000115.1P316P316-L318 PolarHBondContact O-N 2.74Å
319K38.9Very low38.6Very low190 Ų190131.2 Ų131.283%0.82669%0.687SS**SBendtrans-85.5-11.4174.2-78.7-176.3177.9178.20114.1
320T36.7Very low36.6Very low99 Ų99136 Ų13661%0.60771%0.71SS**SBendtrans-100.8-9.3-167.4-2.10000115.4
321W33.7Very low35Very low230 Ų230142.7 Ų142.787%0.87174%0.741SS**THydrogen-bonded Turntrans-93.7-4.1179.9-83.291.1000115.3
322A34.6Very low33.5Very low93 Ų93144.3 Ų144.377%0.76976%0.755SS**THydrogen-bonded Turntrans-95.94.8172.900000113.7L324A322-L324 PolarHBondContact O-N 3.48Å
323C33.3Very low33.1Very low110 Ų110147.1 Ų147.174%0.74376%0.764SS**  trans-77.629.6172.5-77.30000113.7
324L29.6Very low32.6Very low148 Ų148144 Ų14478%0.77576%0.762SS**  trans-133.969.4180-14385.8000109.6A322A322-L324 PolarHBondContact O-N 3.48Å
325N35.1Very low32.5Very low144 Ų144141 Ų14177%0.7776%0.76SS**SBendtrans178.6124.3136.5-85.5-27.8000111.5
326T36.6Very low32.3Very low134 Ų134144 Ų14482%0.82278%0.776SS**  trans76.2119.2163.164.70000119.7
327P29Very low31.9Very low114 Ų114146.6 Ų146.674%0.7478%0.784SS**  trans-87.3154.2161.736.4-29.4000110.1
328I31.7Very low31.7Very low155 Ų155143.9 Ų143.980%0.79579%0.785SS**  trans171.1112.3133.4-81.8151.4000109.5
329Q31.4Very low31.3Very low170 Ų170143 Ų14379%0.79478%0.78SS**  trans54.6112.3144.6-63.2-164.3-4300123
330Q27.1Very low31.1Very low176 Ų176141.9 Ų141.982%0.82278%0.777SS**  12.1119.6125.3-78.5166.9-53.900117.5
331Q27.3Very low30.9Very low188 Ų188140.5 Ų140.588%0.87977%0.77SS**  -170.1128.3104.1-113165.9-21.700112.8
332S24.8Very low30.7Very low103 Ų103135.3 Ų135.372%0.7276%0.759SS**  trans-49.4129.1160.9142.60000110.9
333H30Very low30.6Very low178 Ų178141.6 Ų141.682%0.82477%0.765SS**  trans-166.8141.6141-90.6-68.9000109.8
334G28.6Very low30.4Very low62 Ų62143.8 Ų143.864%0.63977%0.769SS**  trans-68.7-171178.600000114.8
335P30.9Very low30.6Very low136 Ų136145.1 Ų145.188%0.88378%0.776SS**  trans-81.2141.5-137.533.2-35000113.4
336V31.8Very low30.4Very low126 Ų126143.2 Ų143.276%0.76477%0.774SS**  trans-116.7109.1169.41790000109.2L338V336-L338 HydrophobicContact CG1-CG 4.38Å
337L25.4Very low30Very low146 Ų146142.6 Ų142.676%0.76478%0.775SS**  trans-59.9119.6162.6-170.595.1000108.7I339L337-I339 HydrophobicContact CD2-CD1 3.94Å; L337-I339 HydrophobicContact CD2-CG1 3.99Å; L337-I339 HydrophobicContact CG-CG1 4.35Å
338L31.5Very low30Very low163 Ų163147.6 Ų147.685%0.85378%0.78SS**  trans-123.1105.8161-85.7171.3000109V336V336-L338 HydrophobicContact CG1-CG 4.38Å
339I30Very low29.8Very low139 Ų139145.9 Ų145.971%0.71378%0.782SS**  trans-64.3127.7168.8-61.9159.5000107.4L337L337-I339 HydrophobicContact CD2-CD1 3.94Å; L337-I339 HydrophobicContact CD2-CG1 3.99Å; L337-I339 HydrophobicContact CG-CG1 4.35Å
340H33.4Very low29.8Very low165 Ų165140.8 Ų140.876%0.76478%0.776SS**  trans-121.3130.3155.7-158.2-76.1000108.4
341P32.7Very low29.9Very low71 Ų71136 Ų13646%0.46177%0.773SS.*  trans-80.7170.1-176.735.2-36.3000111.6
342D30.9Very low29.8Very low120 Ų120137.1 Ų137.164%0.64277%0.771SS**  trans89.879156.6-50.7-36.6000119
343Y32.2Very low30.1Very low226 Ų226143.5 Ų143.589%0.88678%0.781SS**  trans-140.192.7138.9-46-77.4000109.9L345Y343-L345 PolarHBondContact O-N 3.38Å
344N27.9Very low30Very low155 Ų155142.4 Ų142.483%0.82978%0.781SS**  trans-65.8117.3164.2-78.3-44.5000109.3
345L33.5Very low30.2Very low176 Ų176143 Ų14392%0.92179%0.788SS**  trans-124.3113.9144.3-106.9100.1000109Y343Y343-L345 PolarHBondContact O-N 3.38Å
346S31.2Very low30.1Very low105 Ų105143.4 Ų143.473%0.73478%0.782SS**  trans-56.8139.1-17447.50000114.6Y348S346-Y348 PolarHBondContact O-N 2.88Å
347S28.2Very low30.1Very low121 Ų121144.2 Ų144.285%0.84678%0.782SS**  trans-51.4125.6155.2-60.70000111
348Y29.7Very low30.4Very low218 Ų218145 Ų14586%0.85578%0.782SS**  trans-112.5104.5159-148.1-95.8000108.7S346S346-Y348 PolarHBondContact O-N 2.88Å
349S27.7Very low30.1Very low119 Ų119145 Ų14583%0.83278%0.782SS**  trans-99131.6166.7167.20000107.4
350G30.8Very low30.1Very low64 Ų64142.1 Ų142.166%0.6679%0.787SS**  trans137.8126.8172.400000111
351G29.5Very low29.8Very low75 Ų75144.9 Ų144.977%0.77379%0.792SS**  cis-167.8162.33.500000109.8
352Y25.6Very low29.9Very low212 Ų212146.9 Ų146.983%0.83181%0.808SS**  trans-48133.4169.5-98.5-110.2000112.9
353Y30.2Very low29.9Very low237 Ų237150.2 Ų150.293%0.92982%0.82SS**  trans-150.1113.8138.9-91.1-74.9000109.9
354N27.8Very low29.9Very low154 Ų154143 Ų14382%0.82482%0.815SS**  trans-67.4144.2157.9-97.6-14.1000108.8
355G32.7Very low30.1Very low76 Ų76141.5 Ų141.578%0.78482%0.816SS**  trans177.392.8172.600000111
356D29.5Very low30.1Very low143 Ų143139.4 Ų139.477%0.76581%0.805SS**  trans-57.1161175.7-59.6-64.1000113.7
357N31Very low30.4Very low143 Ų143141.4 Ų141.477%0.76581%0.808SS**  trans92.6125.6143-64.8-31.3000120.9
358Q32Very low30.8Very low163 Ų163141.8 Ų141.876%0.76280%0.8SS**  trans94.7106.8141.1-56.9-124.8-8.700119.9
359L26.3Very low31.1Very low162 Ų162137.3 Ų137.385%0.84880%0.796SS**  42.4121.4117.9-76146.7000118.8
360G29.6Very low31.2Very low80 Ų80136.5 Ų136.583%0.82579%0.79SS**  trans-172.188.6162.700000114
361Y25.9Very low31.2Very low222 Ų222138 Ų13887%0.87179%0.791SS**  trans-77.8146.5162.7-105-96.3000110.8
362S34.9Very low31.4Very low113 Ų113141.4 Ų141.479%0.7980%0.796SS**  trans-168.3106.5151.1-77.60000107.4
363Q32.8Very low31.5Very low190 Ų190134 Ų13489%0.88878%0.784SS**  39.5126.979.6-86.5171.8-29.600112.7
364G30.4Very low31.6Very low76 Ų76129.2 Ų129.278%0.78478%0.78SS**  cis167.5162.23.700000107.7
365S32Very low31.8Very low123 Ų123128.7 Ų128.786%0.8677%0.773SS**  trans-164.6126.4151.2-165.60000111.2
366L34.1Very low31.5Very low131 Ų131133 Ų13369%0.68677%0.77SS**  trans-68.2161.6168-74107.4000110.3
367D37.5Very low31.5Very low148 Ų148135.6 Ų135.679%0.79177%0.774SS**  -159.4130.872.9-68.4-32.9000114.8
368D36.6Very low31.2Very low128 Ų128134.3 Ų134.368%0.68478%0.777SS**  trans24.9127.9136.3-53.6-27.3000123.2
369T35.6Very low30.9Very low124 Ų124130 Ų13076%0.76178%0.775SS**  151.1118.296.8-42.70000112.8
370S30.3Very low31Very low103 Ų103129.8 Ų129.872%0.7277%0.774SS**  trans33142.3141.9100.80000120.8
371S31.3Very low31Very low96 Ų96132 Ų13267%0.67177%0.771SS**  cis177.4161.831.252.80000110.2
372V33.7Very low31.1Very low145 Ų145128.4 Ų128.488%0.87977%0.767SS**  trans69.1124.7160.1-161.40000116.4
373G27.4Very low30.7Very low57 Ų57127.8 Ų127.859%0.58876%0.76SS**  cis135.4125.517.500000107.9
374T33.4Very low30.6Very low136 Ų136126.6 Ų126.683%0.83476%0.756SS**  trans148.195.9156.350.70000109.2
375E30Very low30.9Very low144 Ų144132.2 Ų132.267%0.67376%0.759SS**  77119.390-86.2-150.9133.900116.2
376K28.1Very low31Very low166 Ų166129.3 Ų129.372%0.72274%0.739SS**  trans73.2132.8147.3-63.5162.6178.51490116.2
377K29.3Very low31.1Very low198 Ų198126.8 Ų126.886%0.86173%0.726SS**  cis-166.9151.332.9-153.3170.5-178.6179.10110.9
378S24.8Very low31.1Very low116 Ų116125.3 Ų125.381%0.81172%0.717SS**  trans-51.8153.4-176.761.60000118.5
379G26.1Very low31.1Very low71 Ų71122.9 Ų122.973%0.73271%0.71SS**  trans-173.181.8161.100000115.3
380I27.7Very low31.1Very low159 Ų159123.6 Ų123.682%0.81570%0.699SS**  trans66.390.9151.1-47177.8000117.3
381V29.4Very low31.5Very low127 Ų127123.4 Ų123.477%0.7769%0.69SS**  trans-76124.8156.3172.80000108P383V381-P383 VanDerWaalsContact O-CD 3.24Å; V381-P383 WeakPolarHBondContact O-CD 3.37Å
382N27.9Very low31.9Very low146 Ų146123.9 Ų123.978%0.78168%0.684SS**  trans-76109.3163.2-83.5-30.4000108.9M384N382-M384 PolarHBondContact O-N 3.31Å
383P26.4Very low32.2Very low99 Ų99123.1 Ų123.164%0.64367%0.672SS**THydrogen-bonded Turntrans-97.384.4179.833.6-18.2000108V381V381-P383 VanDerWaalsContact O-CD 3.24Å; V381-P383 WeakPolarHBondContact O-CD 3.37Å
384M31.4Very low33.2Very low166 Ų166125.9 Ų125.982%0.81867%0.67SS**THydrogen-bonded Turntrans-149.3-5.4165.9-137.1163.9179.600115N382N382-M384 PolarHBondContact O-N 3.31Å
385K35.4Very low33.6Very low194 Ų194124.9 Ų124.984%0.84366%0.66SS**SBendtrans-97.2-8.7178.5-148.6171-176.6-1800114.2
386S34.5Very low34.4Very low61 Ų61122.3 Ų122.343%0.42765%0.649SS.*SBendtrans-97.1-20.6-175.375.60000114.9R390S386-R390 PolarHBondContact O-NE 3.05Å; S386-R390 PolarHBondContact OG-NH2 3.15Å; S386-R390 VanDerWaalsContact OG-NH2 3.14Å
387D35.7Very low35.3Very low78 Ų78121.1 Ų121.142%0.41765%0.646SS.*Hα-helixtrans-85.2-29.8-177.7-69.3-48.8000113.3R390 N391D387-R390 IonicContact OD1-CZ 3.86Å; D387-R390 IonicContact OD1-NH1 3.68Å; D387-R390 PolarHBondContact OD1-NH1 3.06Å; D387-R390 IonicContact OD1-NH2 3.12Å; D387-R390 PolarHBondContact OD1-NH2 3.09Å; D387-N391 PolarHBondContact O-N 3.43Å; D387-N391 VanDerWaalsContact O-N 3.17Å; D387-N391 PolarHBondContact O-ND2 3.2Å
388I37.9Very low36.2Very low118 Ų118116.5 Ų116.561%0.60563%0.631SS**Hα-helixtrans-72.4-35.9176.7-62.9173.3000111L392I388-L392 HydrophobicContact CG2-CD1 4.09Å; I388-L392 WeakPolarHBondContact O-CB 3.24Å; I388-L392 PolarHBondContact O-N 3.27Å; I388-L392 VanDerWaalsContact O-N 3.09Å
389S36.1Very low37.3Very low77 Ų77114.3 Ų114.354%0.53862%0.616SS.*Hα-helixtrans-71.6-30.5177.4-162.10000112.9M393S389-M393 PolarHBondContact O-N 3.22Å
390R36.8Very low38.3Very low138 Ų138118.9 Ų118.952%0.52162%0.616SS.*Hα-helixtrans-72.3-42.8174.6-92.4-175.9-82.4118.23.1111.9S386 D387 L392 M393 Q394S386-R390 PolarHBondContact O-NE 3.05Å; S386-R390 PolarHBondContact OG-NH2 3.15Å; S386-R390 VanDerWaalsContact OG-NH2 3.14Å; D387-R390 IonicContact OD1-CZ 3.86Å; D387-R390 IonicContact OD1-NH1 3.68Å; D387-R390 PolarHBondContact OD1-NH1 3.06Å; D387-R390 IonicContact OD1-NH2 3.12Å; D387-R390 PolarHBondContact OD1-NH2 3.09Å; R390-L392 VanDerWaalsContact C-N 3.33Å; R390-L392 PolarHBondContact O-N 3.21Å; R390-M393 PolarHBondContact O-N 3.48Å; R390-Q394 PolarHBondContact O-N 2.89Å
391N38.9Very low39.3Very low100 Ų100115.9 Ų115.954%0.53561%0.609SS.*Hα-helixtrans-68.1-30.8177.3-71.4-22000112.9D387 N395D387-N391 PolarHBondContact O-N 3.43Å; D387-N391 VanDerWaalsContact O-N 3.17Å; D387-N391 PolarHBondContact O-ND2 3.2Å; N391-N395 PolarHBondContact O-N 3.24Å
392L38.1Very low40.1Very low105 Ų105116.4 Ų116.455%0.5561%0.607SS.*Hα-helixtrans-70.3-39.4172.8-100150.7000112.9I388 R390 I396I388-L392 HydrophobicContact CG2-CD1 4.09Å; I388-L392 WeakPolarHBondContact O-CB 3.24Å; I388-L392 PolarHBondContact O-N 3.27Å; I388-L392 VanDerWaalsContact O-N 3.09Å; R390-L392 VanDerWaalsContact C-N 3.33Å; R390-L392 PolarHBondContact O-N 3.21Å; L392-I396 WeakPolarHBondContact O-CD1 3.35Å; L392-I396 VanDerWaalsContact O-CG1 3.24Å; L392-I396 WeakPolarHBondContact O-CG1 3.18Å; L392-I396 PolarHBondContact O-N 3.42Å
393M42Very low40.8Very low129 Ų129119.3 Ų119.364%0.63562%0.623SS**Hα-helixtrans-66.3-41.4175.1-85.8-85.1-177.100111.9S389 R390 N395 I396 E397S389-M393 PolarHBondContact O-N 3.22Å; R390-M393 PolarHBondContact O-N 3.48Å; M393-N395 PolarHBondContact O-N 3.48Å; M393-I396 PolarHBondContact O-N 3.21Å; M393-E397 PolarHBondContact O-N 3.47Å
394Q48.5Very low41.5Very low115 Ų115120.3 Ų120.354%0.53762%0.622SS.*Hα-helixtrans-69.8-33.1-177.7-143.7166.73.700112.8R390 N398R390-Q394 PolarHBondContact O-N 2.89Å; Q394-N398 PolarHBondContact O-N 3.06Å; Q394-N398 VanDerWaalsContact O-N 3.15Å
395N40.8Very low42.1Very low116 Ų116117.9 Ų117.962%0.6261%0.611SS**Hα-helixtrans-73.8-26173.2-83.7-13000113.4N391 M393 S399N391-N395 PolarHBondContact O-N 3.24Å; M393-N395 PolarHBondContact O-N 3.48Å; N395-S399 PolarHBondContact O-N 2.76Å
396I46.9Very low42.5Very low89 Ų89113.7 Ų113.746%0.45660%0.598SS.*Hα-helixtrans-77-33.6174.5-68.1167000111.2L392 M393 S399 K400L392-I396 WeakPolarHBondContact O-CD1 3.35Å; L392-I396 VanDerWaalsContact O-CG1 3.24Å; L392-I396 WeakPolarHBondContact O-CG1 3.18Å; L392-I396 PolarHBondContact O-N 3.42Å; M393-I396 PolarHBondContact O-N 3.21Å; I396-S399 PolarHBondContact O-OG 3.38Å; I396-K400 PolarHBondContact O-N 3.29Å
397E47.7Very low42.9Very low141 Ų141116.8 Ų116.866%0.65961%0.609SS**Hα-helixtrans-69.3-41.3172.9-85.3-178.7150.700112.2M393 S399 K400 S401M393-E397 PolarHBondContact O-N 3.47Å; E397-S399 VanDerWaalsContact C-N 3.31Å; E397-S399 PolarHBondContact O-N 3.45Å; E397-K400 PolarHBondContact O-N 3.43Å; E397-S401 PolarHBondContact O-N 3.38Å
398N47.4Very low43.4Very low102 Ų102119.2 Ų119.255%0.54562%0.62SS.*Hα-helixtrans-68.1-28.1177-75.7-17.6000113.2Q394 K400Q394-N398 PolarHBondContact O-N 3.06Å; Q394-N398 VanDerWaalsContact O-N 3.15Å; N398-K400 VanDerWaalsContact C-N 3.35Å
399S47.4Very low43.7Very low70 Ų70119.3 Ų119.349%0.4962%0.621SS.*Hα-helixtrans-79-15.9175.682.60000113.8N395 I396 E397N395-S399 PolarHBondContact O-N 2.76Å; I396-S399 PolarHBondContact O-OG 3.38Å; E397-S399 VanDerWaalsContact C-N 3.31Å; E397-S399 PolarHBondContact O-N 3.45Å
400K47.6Very low44.3Very low167 Ų167122.3 Ų122.373%0.72663%0.627SS**Hα-helixtrans-87.1-12.6173.3-85.5-176.5175.7-1800113.6I396 E397 N398I396-K400 PolarHBondContact O-N 3.29Å; E397-K400 PolarHBondContact O-N 3.43Å; N398-K400 VanDerWaalsContact C-N 3.35Å
401S49.4Very low44.9Very low95 Ų95121.1 Ų121.166%0.66464%0.636SS**SBendtrans-94.1-6.8177.8-1750000114.1E397E397-S401 PolarHBondContact O-N 3.38Å
402N46Very low45.4Very low138 Ų138122.8 Ų122.874%0.73864%0.644SS**  trans-120.517.1-174-83.6-18.3000114.3
403N42.7Very low46Very low207 Ų207124.5 Ų124.5100%1.10765%0.653SS**  trans-134.40165.8-79.6-30.9000108.3

Retrieved 403 of 403 residues in 63.4 ms (Link to these results)

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