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Probable quinol oxidase subunit 4

Catalyzes quinol oxidation with the concomitant reduction of oxygen to water.

AlphaFold DB (Q2FZK2), UniProt , Accession Q99V39, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene qoxD, Length 96 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
1M59.8Low83.1Confident136 Ų13681.5 Ų81.567%0.6743%0.428SS*.  0119.90-157.283.6175.600106.6M5 K6 V9M1-M5 HydrophobicContact CB-CE 4.27Å; M1-M5 HydrophobicContact CE-CB 3.95Å; M1-M5 HydrophobicContact CE-CE 3.54Å; M1-M5 HydrophobicContact CE-CG 3.35Å; M1-M5 HydrophobicContact CE-SD 3.19Å; M1-M5 WeakPolarHBondContact CE-SD 3.39Å; M1-M5 HydrophobicContact CG-CB 4.13Å; M1-M5 HydrophobicContact CG-CE 3.58Å; M1-M5 HydrophobicContact CG-CG 4.5Å; M1-M5 HydrophobicContact CG-SD 4.46Å; M1-M5 HydrophobicContact SD-CE 3.09Å; M1-M5 WeakPolarHBondContact SD-CE 3.47Å; M1-M5 HydrophobicContact SD-CG 4.28Å; M1-M5 HydrophobicContact SD-SD 3.65Å; M1-M5 VanDerWaalsContact SD-SD 3.65Å; M1-K6 HydrophobicContact CB-CG 4.01Å; M1-K6 HydrophobicContact CG-CG 3.59Å; M1-V9 HydrophobicContact CE-CG2 4.11Å
2S77Confident84.2Confident68 Ų6882.6 Ų82.648%0.47643%0.433SS..  trans-59.8148173.855.20000109.4I4 M5 K6S2-I4 PolarHBondContact O-N 3.46Å; S2-M5 PolarHBondContact O-N 2.83Å; S2-M5 WeakPolarHBondContact OG-CB 3.23Å; S2-M5 PolarHBondContact OG-N 2.79Å; S2-K6 PolarHBondContact O-N 2.54Å; S2-K6 VanDerWaalsContact O-N 3.16Å
3T77.5Confident84.9Confident76 Ų7679 Ų7947%0.46642%0.422SS..Hα-helixtrans-52.2-41.117649.10000111M5 K6 H7T3-M5 PolarHBondContact O-N 2.9Å; T3-K6 PolarHBondContact O-N 3.3Å; T3-H7 PolarHBondContact O-N 3.49Å
4I84.6Confident85.6Confident121 Ų12174.4 Ų74.462%0.62140%0.399SS*.Hα-helixtrans-55.9-46.7173.7-58-57.6000111.9S2 K6 H7 T8S2-I4 PolarHBondContact O-N 3.46Å; I4-K6 PolarHBondContact O-N 3.15Å; I4-H7 PolarHBondContact O-N 3.3Å; I4-T8 PolarHBondContact O-N 3.36Å; I4-T8 PolarHBondContact O-OG1 2.94Å
5M82.8Confident86.4Confident85 Ų8574.3 Ų74.342%0.41940%0.398SS..Hα-helixtrans-69.3-35.5-176.9-160.3-173.610.200112M1 S2 T3 V9M1-M5 HydrophobicContact CB-CE 4.27Å; M1-M5 HydrophobicContact CE-CB 3.95Å; M1-M5 HydrophobicContact CE-CE 3.54Å; M1-M5 HydrophobicContact CE-CG 3.35Å; M1-M5 HydrophobicContact CE-SD 3.19Å; M1-M5 WeakPolarHBondContact CE-SD 3.39Å; M1-M5 HydrophobicContact CG-CB 4.13Å; M1-M5 HydrophobicContact CG-CE 3.58Å; M1-M5 HydrophobicContact CG-CG 4.5Å; M1-M5 HydrophobicContact CG-SD 4.46Å; M1-M5 HydrophobicContact SD-CE 3.09Å; M1-M5 WeakPolarHBondContact SD-CE 3.47Å; M1-M5 HydrophobicContact SD-CG 4.28Å; M1-M5 HydrophobicContact SD-SD 3.65Å; M1-M5 VanDerWaalsContact SD-SD 3.65Å; S2-M5 PolarHBondContact O-N 2.83Å; S2-M5 WeakPolarHBondContact OG-CB 3.23Å; S2-M5 PolarHBondContact OG-N 2.79Å; T3-M5 PolarHBondContact O-N 2.9Å; M5-V9 WeakPolarHBondContact O-CB 3.27Å; M5-V9 VanDerWaalsContact O-CG2 3.24Å; M5-V9 WeakPolarHBondContact O-CG2 3.5Å; M5-V9 PolarHBondContact O-N 3.3Å
6K82.1Confident87Confident66 Ų6674.4 Ų74.429%0.28740%0.401SS..Hα-helixtrans-62.8-47.4172.1-68.5-174.8-174177.30110.8M1 S2 T3 I4 T8 V9 G10 M53 E59M1-K6 HydrophobicContact CB-CG 4.01Å; M1-K6 HydrophobicContact CG-CG 3.59Å; S2-K6 PolarHBondContact O-N 2.54Å; S2-K6 VanDerWaalsContact O-N 3.16Å; T3-K6 PolarHBondContact O-N 3.3Å; I4-K6 PolarHBondContact O-N 3.15Å; K6-T8 PolarHBondContact O-N 2.9Å; K6-V9 PolarHBondContact O-N 3.18Å; K6-G10 PolarHBondContact O-N 3.08Å; K6-M53 HydrophobicContact CB-CE 4.2Å; K6-M53 WeakPolarHBondContact O-CE 3.09Å; K6-E59 WeakPolarHBondContact CD-OE1 3.48Å; K6-E59 WeakPolarHBondContact CE-OE1 3.32Å; K6-E59 IonicContact NZ-OE1 2.67Å; K6-E59 PolarHBondContact NZ-OE1 2.92Å
7H86.3Confident87.6Confident91 Ų9171.4 Ų71.442%0.42139%0.385SS..Hα-helixtrans-59.2-46.4178.9-168.988.4000111.8T3 I4 V9 G10 F11 F54T3-H7 PolarHBondContact O-N 3.49Å; I4-H7 PolarHBondContact O-N 3.3Å; H7-V9 PolarHBondContact O-N 2.73Å; H7-G10 PolarHBondContact O-N 2.83Å; H7-F11 WeakPolarHBondContact O-CB 3.13Å; H7-F11 PolarHBondContact O-N 2.78Å; H7-F54 AromaticContact CE1-CD1 3.43Å; H7-F54 VanDerWaalsContact CE1-CD1 3.43Å; H7-F54 WeakPolarHBondContact CE1-CD1 3.42Å; H7-F54 AromaticContact CE1-CE1 3.3Å; H7-F54 WeakPolarHBondContact CE1-CE1 3.23Å; H7-F54 AromaticContact ND1-CD1 3.4Å; H7-F54 WeakPolarHBondContact ND1-CD1 2.93Å; H7-F54 AromaticContact ND1-CE1 3.46Å; H7-F54 WeakPolarHBondContact ND1-CE1 3.28Å; H7-F54 AromaticContact NE2-CE1 3.8Å
8T89.8Confident88.1Confident67 Ų6771.2 Ų71.241%0.41139%0.387SS..Hα-helixtrans-62.1-44.9178.3-570000112I4 K6 F11 I12I4-T8 PolarHBondContact O-N 3.36Å; I4-T8 PolarHBondContact O-OG1 2.94Å; K6-T8 PolarHBondContact O-N 2.9Å; T8-F11 PolarHBondContact O-N 3.45Å; T8-I12 HydrophobicContact CG2-CD1 3.9Å; T8-I12 VanDerWaalsContact O-CG1 3.3Å; T8-I12 WeakPolarHBondContact O-CG1 3.33Å; T8-I12 PolarHBondContact O-N 2.96Å
9V89.8Confident88.6Confident71 Ų7173.3 Ų73.343%0.4340%0.397SS..Hα-helixtrans-64-43.2176.9171.30000111M1 M5 K6 H7 F11 I12 A13 M53M1-V9 HydrophobicContact CE-CG2 4.11Å; M5-V9 WeakPolarHBondContact O-CB 3.27Å; M5-V9 VanDerWaalsContact O-CG2 3.24Å; M5-V9 WeakPolarHBondContact O-CG2 3.5Å; M5-V9 PolarHBondContact O-N 3.3Å; K6-V9 PolarHBondContact O-N 3.18Å; H7-V9 PolarHBondContact O-N 2.73Å; V9-F11 VanDerWaalsContact C-N 3.33Å; V9-F11 PolarHBondContact O-N 3.35Å; V9-I12 PolarHBondContact O-N 3.49Å; V9-A13 VanDerWaalsContact O-CB 3.23Å; V9-A13 WeakPolarHBondContact O-CB 3.47Å; V9-A13 PolarHBondContact O-N 3.47Å; V9-M53 HydrophobicContact CB-CE 4.34Å; V9-M53 HydrophobicContact CG1-CE 4.33Å
10G90.9Very high88.9Confident0 Ų073.5 Ų73.50%040%0.397CS..Hα-helixtrans-61.4-41.6177.100000112.3K6 H7 S14K6-G10 PolarHBondContact O-N 3.08Å; H7-G10 PolarHBondContact O-N 2.83Å; G10-S14 WeakPolarHBondContact O-CB 3.26Å; G10-S14 PolarHBondContact O-N 3.02Å
11F93.8Very high89.3Confident115 Ų11571 Ų7150%0.50439%0.387SS..Hα-helixtrans-63.7-50.3176.3-179-114.4000112.3H7 T8 V9 A13 S14 I15 F54H7-F11 WeakPolarHBondContact O-CB 3.13Å; H7-F11 PolarHBondContact O-N 2.78Å; T8-F11 PolarHBondContact O-N 3.45Å; V9-F11 VanDerWaalsContact C-N 3.33Å; V9-F11 PolarHBondContact O-N 3.35Å; F11-A13 VanDerWaalsContact C-N 3.33Å; F11-A13 PolarHBondContact O-N 3.3Å; F11-S14 PolarHBondContact O-N 3.42Å; F11-I15 HydrophobicContact CD1-CD1 3.96Å; F11-I15 HydrophobicContact CD2-CD1 4.48Å; F11-I15 HydrophobicContact CE1-CD1 3.44Å; F11-I15 VanDerWaalsContact CE1-CD1 3.44Å; F11-I15 HydrophobicContact CE2-CD1 4.02Å; F11-I15 HydrophobicContact CE2-CG1 4.4Å; F11-I15 HydrophobicContact CG-CD1 4.46Å; F11-I15 HydrophobicContact CZ-CD1 3.49Å; F11-I15 VanDerWaalsContact CZ-CD1 3.49Å; F11-I15 HydrophobicContact CZ-CG1 4.34Å; F11-I15 WeakPolarHBondContact O-CG1 3.43Å; F11-I15 PolarHBondContact O-N 3.4Å; F11-F54 HydrophobicContact CB-CZ 4.29Å
12I95.7Very high91Very high95 Ų9567.7 Ų67.749%0.48737%0.374SS..Hα-helixtrans-59.7-46.4177.6-67.1167.2000110.4T8 V9 S14 I15 V16T8-I12 HydrophobicContact CG2-CD1 3.9Å; T8-I12 VanDerWaalsContact O-CG1 3.3Å; T8-I12 WeakPolarHBondContact O-CG1 3.33Å; T8-I12 PolarHBondContact O-N 2.96Å; V9-I12 PolarHBondContact O-N 3.49Å; I12-S14 VanDerWaalsContact C-N 3.3Å; I12-S14 PolarHBondContact O-N 3.42Å; I12-I15 PolarHBondContact O-N 2.9Å; I12-V16 HydrophobicContact CG2-CG2 4.35Å; I12-V16 WeakPolarHBondContact O-CG2 3.37Å; I12-V16 PolarHBondContact O-N 3.24Å
13A93.8Very high91.9Very high36 Ų3670.6 Ų70.630%0.29838%0.375SS..Hα-helixtrans-62.7-37.4-18000000111.9V9 F11 V16 L17 L49V9-A13 VanDerWaalsContact O-CB 3.23Å; V9-A13 WeakPolarHBondContact O-CB 3.47Å; V9-A13 PolarHBondContact O-N 3.47Å; F11-A13 VanDerWaalsContact C-N 3.33Å; F11-A13 PolarHBondContact O-N 3.3Å; A13-V16 PolarHBondContact O-N 2.93Å; A13-L17 WeakPolarHBondContact O-CB 3.34Å; A13-L17 PolarHBondContact O-N 3.35Å; A13-L49 HydrophobicContact CB-CD1 3.78Å; A13-L49 HydrophobicContact CB-CD2 4.38Å
14S95.4Very high92.7Very high14 Ų1467.9 Ų67.910%0.09836%0.359CS..Hα-helixtrans-67.6-39175.7-168.10000112.9G10 F11 I12 L17 T18 Q46G10-S14 WeakPolarHBondContact O-CB 3.26Å; G10-S14 PolarHBondContact O-N 3.02Å; F11-S14 PolarHBondContact O-N 3.42Å; I12-S14 VanDerWaalsContact C-N 3.3Å; I12-S14 PolarHBondContact O-N 3.42Å; S14-L17 PolarHBondContact O-N 3.03Å; S14-T18 WeakPolarHBondContact O-CB 3.39Å; S14-T18 PolarHBondContact O-N 3.25Å; S14-T18 PolarHBondContact O-OG1 3.41Å; S14-Q46 PolarHBondContact O-NE2 3.08Å; S14-Q46 VanDerWaalsContact OG-CD 3.27Å; S14-Q46 PolarHBondContact OG-NE2 3.06Å; S14-Q46 PolarHBondContact OG-OE1 3.22Å
15I96.4Very high93.1Very high74 Ų7464.7 Ų64.738%0.37935%0.345SS..Hα-helixtrans-61.9-50.1172.4-70.1173.4000110.1F11 I12 L17 T18 L19F11-I15 HydrophobicContact CD1-CD1 3.96Å; F11-I15 HydrophobicContact CD2-CD1 4.48Å; F11-I15 HydrophobicContact CE1-CD1 3.44Å; F11-I15 VanDerWaalsContact CE1-CD1 3.44Å; F11-I15 HydrophobicContact CE2-CD1 4.02Å; F11-I15 HydrophobicContact CE2-CG1 4.4Å; F11-I15 HydrophobicContact CG-CD1 4.46Å; F11-I15 HydrophobicContact CZ-CD1 3.49Å; F11-I15 VanDerWaalsContact CZ-CD1 3.49Å; F11-I15 HydrophobicContact CZ-CG1 4.34Å; F11-I15 WeakPolarHBondContact O-CG1 3.43Å; F11-I15 PolarHBondContact O-N 3.4Å; I12-I15 PolarHBondContact O-N 2.9Å; I15-L17 VanDerWaalsContact C-N 3.3Å; I15-L17 PolarHBondContact O-N 2.86Å; I15-T18 WeakPolarHBondContact O-CB 3.43Å; I15-T18 PolarHBondContact O-N 3.01Å; I15-T18 VanDerWaalsContact O-N 3.11Å; I15-L19 HydrophobicContact CG2-CD1 3.93Å; I15-L19 HydrophobicContact CG2-CG 4.24Å; I15-L19 WeakPolarHBondContact O-CG 3.25Å; I15-L19 PolarHBondContact O-N 3.17Å
16V97.3Very high93.6Very high75 Ų7566.4 Ų66.446%0.45536%0.355SS..Hα-helixtrans-56.7-47.1179.6170.50000110.5I12 A13 T18 L19 L20I12-V16 HydrophobicContact CG2-CG2 4.35Å; I12-V16 WeakPolarHBondContact O-CG2 3.37Å; I12-V16 PolarHBondContact O-N 3.24Å; A13-V16 PolarHBondContact O-N 2.93Å; V16-T18 VanDerWaalsContact C-N 3.29Å; V16-T18 PolarHBondContact O-N 3.44Å; V16-L19 PolarHBondContact O-N 2.92Å; V16-L20 HydrophobicContact CG1-CD1 4.07Å; V16-L20 HydrophobicContact CG1-CG 4.42Å; V16-L20 WeakPolarHBondContact O-CB 3.48Å; V16-L20 VanDerWaalsContact O-CG 3.32Å; V16-L20 WeakPolarHBondContact O-CG 3.29Å; V16-L20 PolarHBondContact O-N 3.23Å
17L95.7Very high94.1Very high23 Ų2371.6 Ų71.612%0.1237%0.374CS..Hα-helixtrans-63.9-35.7179.6-162.969.2000112.3A13 S14 I15 L20 A21 F42 V45 Q46 L49A13-L17 WeakPolarHBondContact O-CB 3.34Å; A13-L17 PolarHBondContact O-N 3.35Å; S14-L17 PolarHBondContact O-N 3.03Å; I15-L17 VanDerWaalsContact C-N 3.3Å; I15-L17 PolarHBondContact O-N 2.86Å; L17-L20 PolarHBondContact O-N 2.82Å; L17-A21 PolarHBondContact O-N 3.03Å; L17-F42 HydrophobicContact CD1-CD1 3.5Å; L17-F42 VanDerWaalsContact CD1-CD1 3.5Å; L17-F42 HydrophobicContact CD1-CE1 3.52Å; L17-F42 HydrophobicContact CD1-CG 4.46Å; L17-F42 HydrophobicContact CG-CD1 3.82Å; L17-F42 HydrophobicContact CG-CE1 4.26Å; L17-V45 HydrophobicContact CD1-CG1 4.25Å; L17-V45 HydrophobicContact CD2-CB 4.11Å; L17-V45 HydrophobicContact CD2-CG1 3.74Å; L17-Q46 HydrophobicContact CD2-CB 3.71Å; L17-Q46 HydrophobicContact CD2-CG 4.4Å; L17-L49 HydrophobicContact CD2-CD1 4.43Å
18T97.1Very high94.3Very high68 Ų6869.1 Ų69.142%0.41737%0.366SS..Hα-helixtrans-66.7-46.7174.7-54.40000111.5S14 I15 V16 L20 A21 V22 Q46S14-T18 WeakPolarHBondContact O-CB 3.39Å; S14-T18 PolarHBondContact O-N 3.25Å; S14-T18 PolarHBondContact O-OG1 3.41Å; I15-T18 WeakPolarHBondContact O-CB 3.43Å; I15-T18 PolarHBondContact O-N 3.01Å; I15-T18 VanDerWaalsContact O-N 3.11Å; V16-T18 VanDerWaalsContact C-N 3.29Å; V16-T18 PolarHBondContact O-N 3.44Å; T18-L20 VanDerWaalsContact C-N 3.28Å; T18-L20 PolarHBondContact O-N 2.96Å; T18-A21 PolarHBondContact O-N 2.97Å; T18-V22 WeakPolarHBondContact O-CG2 3.47Å; T18-V22 PolarHBondContact O-N 2.89Å; T18-Q46 PolarHBondContact OG1-NE2 3.4Å
19L97.5Very high94.4Very high111 Ų11172.1 Ų72.158%0.58139%0.389SS*.Hα-helixtrans-62.7-37.3177.5-68.9178.3000111.5I15 V16 V22 Y23I15-L19 HydrophobicContact CG2-CD1 3.93Å; I15-L19 HydrophobicContact CG2-CG 4.24Å; I15-L19 WeakPolarHBondContact O-CG 3.25Å; I15-L19 PolarHBondContact O-N 3.17Å; V16-L19 PolarHBondContact O-N 2.92Å; L19-V22 PolarHBondContact O-N 3.47Å; L19-Y23 VanDerWaalsContact O-CB 3.29Å; L19-Y23 WeakPolarHBondContact O-CB 3.46Å; L19-Y23 PolarHBondContact O-N 2.86Å
20L95.8Very high94.5Very high78 Ų7872.7 Ų72.741%0.40839%0.39SS..Hα-helixtrans-64-42.4173.4-74.2174.5000112V16 L17 T18 Y23 V24 F42V16-L20 HydrophobicContact CG1-CD1 4.07Å; V16-L20 HydrophobicContact CG1-CG 4.42Å; V16-L20 WeakPolarHBondContact O-CB 3.48Å; V16-L20 VanDerWaalsContact O-CG 3.32Å; V16-L20 WeakPolarHBondContact O-CG 3.29Å; V16-L20 PolarHBondContact O-N 3.23Å; L17-L20 PolarHBondContact O-N 2.82Å; T18-L20 VanDerWaalsContact C-N 3.28Å; T18-L20 PolarHBondContact O-N 2.96Å; L20-Y23 WeakPolarHBondContact O-CB 3.27Å; L20-Y23 PolarHBondContact O-N 3.21Å; L20-V24 WeakPolarHBondContact O-CG2 3.29Å; L20-V24 PolarHBondContact O-N 2.87Å; L20-F42 HydrophobicContact CB-CD1 4.41Å; L20-F42 HydrophobicContact CB-CE1 3.5Å; L20-F42 HydrophobicContact CB-CZ 4.16Å; L20-F42 HydrophobicContact CD1-CE1 4.2Å
21A96.1Very high94.6Very high21 Ų2177 Ų7717%0.17442%0.416CS..Hα-helixtrans-62.6-42.8175.500000112L17 T18 Y23 T25 F42L17-A21 PolarHBondContact O-N 3.03Å; T18-A21 PolarHBondContact O-N 2.97Å; A21-Y23 VanDerWaalsContact C-N 3.33Å; A21-T25 WeakPolarHBondContact O-CB 3.32Å; A21-T25 PolarHBondContact O-N 3.09Å; A21-T25 VanDerWaalsContact O-N 3.08Å; A21-T25 PolarHBondContact O-OG1 3.08Å; A21-F42 HydrophobicContact CB-CB 4.45Å; A21-F42 HydrophobicContact CB-CD1 4.15Å
22V96.4Very high94.6Very high66 Ų6678.4 Ų78.440%0.442%0.422SS..Hα-helixtrans-61.4-43.5173.4172.40000110.8T18 L19 T25 L26T18-V22 WeakPolarHBondContact O-CG2 3.47Å; T18-V22 PolarHBondContact O-N 2.89Å; L19-V22 PolarHBondContact O-N 3.47Å; V22-T25 PolarHBondContact O-N 3.33Å; V22-L26 HydrophobicContact CG1-CD1 3.76Å; V22-L26 HydrophobicContact CG1-CG 4.33Å; V22-L26 PolarHBondContact O-N 3.42Å
23Y94.8Very high94.5Very high129 Ų12980.5 Ų80.551%0.50643%0.43SS..Hα-helixtrans-60.7-49.1179.2178-95.5000112.3L19 L20 A21 T25 L26 Y27L19-Y23 VanDerWaalsContact O-CB 3.29Å; L19-Y23 WeakPolarHBondContact O-CB 3.46Å; L19-Y23 PolarHBondContact O-N 2.86Å; L20-Y23 WeakPolarHBondContact O-CB 3.27Å; L20-Y23 PolarHBondContact O-N 3.21Å; A21-Y23 VanDerWaalsContact C-N 3.33Å; Y23-T25 PolarHBondContact O-N 3.37Å; Y23-L26 PolarHBondContact O-N 3.46Å; Y23-Y27 AromaticContact CD2-CD2 3.83Å; Y23-Y27 HydrophobicContact CD2-CD2 3.83Å; Y23-Y27 HydrophobicContact CD2-CG 4.04Å; Y23-Y27 HydrophobicContact CE2-CD2 4.38Å; Y23-Y27 HydrophobicContact CE2-CG 4.12Å; Y23-Y27 WeakPolarHBondContact O-CB 3.32Å; Y23-Y27 PolarHBondContact O-N 2.99Å
24V93.7Very high94.6Very high19 Ų1980.3 Ų80.312%0.11543%0.428CS..Hα-helixtrans-59-37.1176170.50000111.2L20 T28 I38L20-V24 WeakPolarHBondContact O-CG2 3.29Å; L20-V24 PolarHBondContact O-N 2.87Å; V24-T28 WeakPolarHBondContact O-CB 3.27Å; V24-I38 HydrophobicContact CG1-CB 4.16Å; V24-I38 HydrophobicContact CG1-CD1 4.14Å; V24-I38 HydrophobicContact CG1-CG2 3.81Å; V24-I38 HydrophobicContact CG2-CG2 4.3Å
25T92.9Very high94.5Very high55 Ų5581.6 Ų81.634%0.33743%0.432SS..Hα-helixtrans-71.7-48.8-178-53.40000112A21 V22 Y23 K35 I39A21-T25 WeakPolarHBondContact O-CB 3.32Å; A21-T25 PolarHBondContact O-N 3.09Å; A21-T25 VanDerWaalsContact O-N 3.08Å; A21-T25 PolarHBondContact O-OG1 3.08Å; V22-T25 PolarHBondContact O-N 3.33Å; Y23-T25 PolarHBondContact O-N 3.37Å; T25-K35 PolarHBondContact O-NZ 3.49Å; T25-I39 HydrophobicContact CG2-CD1 4.26Å; T25-I39 WeakPolarHBondContact OG1-CD1 3.34Å
26L94Very high94.5Very high121 Ų12182.4 Ų82.463%0.63444%0.436SS*.Hα-helixtrans-92.1-38.4-169.5-62.7-178.6000114V22 Y23V22-L26 HydrophobicContact CG1-CD1 3.76Å; V22-L26 HydrophobicContact CG1-CG 4.33Å; V22-L26 PolarHBondContact O-N 3.42Å; Y23-L26 PolarHBondContact O-N 3.46Å
27Y93.1Very high94.4Very high174 Ų17483.6 Ų83.668%0.68244%0.444SS*.THydrogen-bonded Turntrans-104-8.2-168.2-66.9-83.8000114.1Y23Y23-Y27 AromaticContact CD2-CD2 3.83Å; Y23-Y27 HydrophobicContact CD2-CD2 3.83Å; Y23-Y27 HydrophobicContact CD2-CG 4.04Å; Y23-Y27 HydrophobicContact CE2-CD2 4.38Å; Y23-Y27 HydrophobicContact CE2-CG 4.12Å; Y23-Y27 WeakPolarHBondContact O-CB 3.32Å; Y23-Y27 PolarHBondContact O-N 2.99Å
28T90.7Very high94.4Very high39 Ų3985.2 Ų85.224%0.23945%0.452CS..  trans-97.9135.9178.8-56.60000110.9V24 L30 K35V24-T28 WeakPolarHBondContact O-CB 3.27Å; T28-L30 VanDerWaalsContact C-N 3.27Å; T28-L30 HydrophobicContact CG2-CB 3.94Å; T28-L30 HydrophobicContact CG2-CD1 3.56Å; T28-L30 HydrophobicContact CG2-CG 3.42Å; T28-L30 VanDerWaalsContact CG2-CG 3.42Å; T28-L30 PolarHBondContact O-N 2.89Å; T28-K35 WeakPolarHBondContact O-CE 3.43Å; T28-K35 PolarHBondContact O-NZ 3.27Å
29S91.5Very high94.3Very high130 Ų13084.9 Ų84.991%0.90945%0.447SS*.  trans-8822.3179.753.80000114.1
30L91Very high94.2Very high84 Ų8485.7 Ų85.744%0.4445%0.446SS..  trans-68.9156.2176.8-73.9171.9000111.8T28 A34 K35 I38T28-L30 VanDerWaalsContact C-N 3.27Å; T28-L30 HydrophobicContact CG2-CB 3.94Å; T28-L30 HydrophobicContact CG2-CD1 3.56Å; T28-L30 HydrophobicContact CG2-CG 3.42Å; T28-L30 VanDerWaalsContact CG2-CG 3.42Å; T28-L30 PolarHBondContact O-N 2.89Å; L30-A34 HydrophobicContact CB-CB 4.21Å; L30-K35 HydrophobicContact CB-CG 4.17Å; L30-K35 VanDerWaalsContact O-CE 3.28Å; L30-K35 WeakPolarHBondContact O-CE 3.32Å; L30-I38 HydrophobicContact CD1-CD1 3.74Å
31T94.8Very high94.2Very high90 Ų9083.6 Ų83.655%0.55244%0.443SS*.  trans-59151.2172.8-178.70000111.9H33 A34 K35T31-H33 VanDerWaalsContact C-N 3.27Å; T31-H33 PolarHBondContact O-N 3.31Å; T31-A34 HydrophobicContact CG2-CB 3.56Å; T31-A34 WeakPolarHBondContact O-CB 3.49Å; T31-A34 PolarHBondContact O-N 2.67Å; T31-K35 PolarHBondContact O-N 2.96Å
32F92.4Very high94.3Very high145 Ų14585.1 Ų85.164%0.63645%0.446SS*.Hα-helixtrans-52.3-44.8-179.2178.6-104000112.4A34 K35 L36F32-A34 VanDerWaalsContact C-N 3.34Å; F32-A34 PolarHBondContact O-N 2.85Å; F32-K35 PolarHBondContact O-N 3.07Å; F32-L36 HydrophobicContact CE1-CD1 4.03Å; F32-L36 HydrophobicContact CZ-CD1 4.08Å; F32-L36 WeakPolarHBondContact O-CB 3.35Å; F32-L36 PolarHBondContact O-N 2.87Å
33H94.9Very high94.3Very high139 Ų13984.5 Ų84.564%0.64445%0.448SS*.Hα-helixtrans-62.2-40.4178.2-65.6-68.6000112.6T31 L36 T37T31-H33 VanDerWaalsContact C-N 3.27Å; T31-H33 PolarHBondContact O-N 3.31Å; H33-L36 PolarHBondContact O-N 3.37Å; H33-T37 PolarHBondContact O-N 2.79Å; H33-T37 PolarHBondContact O-OG1 2.87Å; H33-T37 VanDerWaalsContact O-OG1 3.08Å
34A94.2Very high94.3Very high31 Ų3184.7 Ų84.726%0.25645%0.452SS..Hα-helixtrans-67.2-42.5178.300000111.1L30 T31 F32 L36 T37 I38L30-A34 HydrophobicContact CB-CB 4.21Å; T31-A34 HydrophobicContact CG2-CB 3.56Å; T31-A34 WeakPolarHBondContact O-CB 3.49Å; T31-A34 PolarHBondContact O-N 2.67Å; F32-A34 VanDerWaalsContact C-N 3.34Å; F32-A34 PolarHBondContact O-N 2.85Å; A34-L36 PolarHBondContact O-N 3.11Å; A34-T37 PolarHBondContact O-N 2.75Å; A34-I38 WeakPolarHBondContact O-CD1 3.42Å; A34-I38 VanDerWaalsContact O-CG1 3.25Å; A34-I38 WeakPolarHBondContact O-CG1 3.46Å; A34-I38 PolarHBondContact O-N 2.94Å; A34-I38 VanDerWaalsContact O-N 3.08Å
35K94.8Very high94.4Very high42 Ų4288 Ų8818%0.18347%0.472CS..Hα-helixtrans-58.8-47.7174.3-67.5-174.5178-169.50111.5T25 T28 L30 T31 F32 T37 I38 I39T25-K35 PolarHBondContact O-NZ 3.49Å; T28-K35 WeakPolarHBondContact O-CE 3.43Å; T28-K35 PolarHBondContact O-NZ 3.27Å; L30-K35 HydrophobicContact CB-CG 4.17Å; L30-K35 VanDerWaalsContact O-CE 3.28Å; L30-K35 WeakPolarHBondContact O-CE 3.32Å; T31-K35 PolarHBondContact O-N 2.96Å; F32-K35 PolarHBondContact O-N 3.07Å; K35-T37 PolarHBondContact O-N 3.01Å; K35-I38 PolarHBondContact O-N 3.5Å; K35-I39 HydrophobicContact CB-CD1 4.48Å; K35-I39 WeakPolarHBondContact O-CD1 3.27Å; K35-I39 VanDerWaalsContact O-CG1 3.23Å; K35-I39 WeakPolarHBondContact O-CG1 3.48Å; K35-I39 PolarHBondContact O-N 2.89Å
36L95.1Very high94.6Very high91 Ų9186.7 Ų86.748%0.47646%0.462SS..Hα-helixtrans-60.7-46.5-178.4-168.1151.5000111.4F32 H33 A34 I38 I39 F40F32-L36 HydrophobicContact CE1-CD1 4.03Å; F32-L36 HydrophobicContact CZ-CD1 4.08Å; F32-L36 WeakPolarHBondContact O-CB 3.35Å; F32-L36 PolarHBondContact O-N 2.87Å; H33-L36 PolarHBondContact O-N 3.37Å; A34-L36 PolarHBondContact O-N 3.11Å; L36-I38 VanDerWaalsContact C-N 3.34Å; L36-I38 PolarHBondContact O-N 3.31Å; L36-I39 PolarHBondContact O-N 2.92Å; L36-F40 VanDerWaalsContact O-CB 3.27Å; L36-F40 WeakPolarHBondContact O-CB 3.26Å; L36-F40 PolarHBondContact O-N 3.23Å
37T96.2Very high94.6Very high99 Ų9983 Ų8361%0.60745%0.449SS*.Hα-helixtrans-59.9-43.4176.6-59.10000112H33 A34 K35 F40 G41H33-T37 PolarHBondContact O-N 2.79Å; H33-T37 PolarHBondContact O-OG1 2.87Å; H33-T37 VanDerWaalsContact O-OG1 3.08Å; A34-T37 PolarHBondContact O-N 2.75Å; K35-T37 PolarHBondContact O-N 3.01Å; T37-F40 PolarHBondContact O-N 3.33Å; T37-G41 PolarHBondContact O-N 3.37Å
38I95.3Very high94.5Very high58 Ų5876.1 Ų76.130%0.29743%0.431SS..Hα-helixtrans-64.2-50.6178.5-64.7163.4000110.3V24 L30 A34 K35 L36 F40 G41 F42V24-I38 HydrophobicContact CG1-CB 4.16Å; V24-I38 HydrophobicContact CG1-CD1 4.14Å; V24-I38 HydrophobicContact CG1-CG2 3.81Å; V24-I38 HydrophobicContact CG2-CG2 4.3Å; L30-I38 HydrophobicContact CD1-CD1 3.74Å; A34-I38 WeakPolarHBondContact O-CD1 3.42Å; A34-I38 VanDerWaalsContact O-CG1 3.25Å; A34-I38 WeakPolarHBondContact O-CG1 3.46Å; A34-I38 PolarHBondContact O-N 2.94Å; A34-I38 VanDerWaalsContact O-N 3.08Å; K35-I38 PolarHBondContact O-N 3.5Å; L36-I38 VanDerWaalsContact C-N 3.34Å; L36-I38 PolarHBondContact O-N 3.31Å; I38-F40 VanDerWaalsContact C-N 3.26Å; I38-F40 PolarHBondContact O-N 2.81Å; I38-G41 WeakPolarHBondContact O-CA 3.47Å; I38-G41 PolarHBondContact O-N 3.5Å; I38-G41 VanDerWaalsContact O-N 3.09Å; I38-F42 HydrophobicContact CG2-CD2 3.71Å; I38-F42 HydrophobicContact CG2-CE2 3.65Å; I38-F42 VanDerWaalsContact O-CD2 3.29Å; I38-F42 WeakPolarHBondContact O-CD2 3.25Å; I38-F42 PolarHBondContact O-N 3.22Å
39I95.6Very high94.6Very high60 Ų6075.8 Ų75.831%0.30843%0.427SS..Hα-helixtrans-60-40.5-179.5-65.2160.6000110.8T25 K35 L36 G41 F42 A43T25-I39 HydrophobicContact CG2-CD1 4.26Å; T25-I39 WeakPolarHBondContact OG1-CD1 3.34Å; K35-I39 HydrophobicContact CB-CD1 4.48Å; K35-I39 WeakPolarHBondContact O-CD1 3.27Å; K35-I39 VanDerWaalsContact O-CG1 3.23Å; K35-I39 WeakPolarHBondContact O-CG1 3.48Å; K35-I39 PolarHBondContact O-N 2.89Å; L36-I39 PolarHBondContact O-N 2.92Å; I39-G41 VanDerWaalsContact C-N 3.35Å; I39-F42 CarbonylContact O-C 3.59Å; I39-F42 WeakPolarHBondContact O-CB 3.45Å; I39-F42 PolarHBondContact O-N 3.39Å; I39-A43 PolarHBondContact O-N 3.33Å
40F95.6Very high94.5Very high129 Ų12973.7 Ų73.757%0.56640%0.403SS*.Hα-helixtrans-63.5-41.4176.7-162.1-114.5000111.6L36 T37 I38 A43 F44L36-F40 VanDerWaalsContact O-CB 3.27Å; L36-F40 WeakPolarHBondContact O-CB 3.26Å; L36-F40 PolarHBondContact O-N 3.23Å; T37-F40 PolarHBondContact O-N 3.33Å; I38-F40 VanDerWaalsContact C-N 3.26Å; I38-F40 PolarHBondContact O-N 2.81Å; F40-A43 WeakPolarHBondContact O-CB 3.45Å; F40-A43 PolarHBondContact O-N 3.23Å; F40-F44 HydrophobicContact CD1-CD2 4.36Å; F40-F44 AromaticContact CD1-CE2 3.73Å; F40-F44 HydrophobicContact CD1-CE2 3.73Å; F40-F44 HydrophobicContact CE1-CD2 4.4Å; F40-F44 AromaticContact CE1-CE2 3.37Å; F40-F44 HydrophobicContact CE1-CE2 3.37Å; F40-F44 HydrophobicContact CE1-CZ 4.03Å; F40-F44 HydrophobicContact CE2-CE2 4.41Å; F40-F44 HydrophobicContact CG-CE2 4.41Å; F40-F44 AromaticContact CZ-CE2 3.73Å; F40-F44 HydrophobicContact CZ-CE2 3.73Å; F40-F44 HydrophobicContact CZ-CZ 4.05Å; F40-F44 VanDerWaalsContact O-CD2 3.27Å; F40-F44 WeakPolarHBondContact O-CD2 3.38Å; F40-F44 PolarHBondContact O-N 3.42Å
41G96.1Very high94.5Very high34 Ų3471.7 Ų71.735%0.35139%0.393SS..Hα-helixtrans-59.5-46.1170.300000112.6T37 I38 I39 A43 F44 V45T37-G41 PolarHBondContact O-N 3.37Å; I38-G41 WeakPolarHBondContact O-CA 3.47Å; I38-G41 PolarHBondContact O-N 3.5Å; I38-G41 VanDerWaalsContact O-N 3.09Å; I39-G41 VanDerWaalsContact C-N 3.35Å; G41-A43 VanDerWaalsContact C-N 3.26Å; G41-A43 PolarHBondContact O-N 2.88Å; G41-F44 PolarHBondContact O-N 3.27Å; G41-V45 WeakPolarHBondContact O-CG2 3.36Å; G41-V45 PolarHBondContact O-N 3.11Å; G41-V45 VanDerWaalsContact O-N 3.11Å
42F96.7Very high94Very high52 Ų5272.8 Ų72.823%0.22839%0.394CS..Hα-helixtrans-59.3-36.2175.1-89.6-112.5000112.3L17 L20 A21 I38 I39 F44 V45 Q46L17-F42 HydrophobicContact CD1-CD1 3.5Å; L17-F42 VanDerWaalsContact CD1-CD1 3.5Å; L17-F42 HydrophobicContact CD1-CE1 3.52Å; L17-F42 HydrophobicContact CD1-CG 4.46Å; L17-F42 HydrophobicContact CG-CD1 3.82Å; L17-F42 HydrophobicContact CG-CE1 4.26Å; L20-F42 HydrophobicContact CB-CD1 4.41Å; L20-F42 HydrophobicContact CB-CE1 3.5Å; L20-F42 HydrophobicContact CB-CZ 4.16Å; L20-F42 HydrophobicContact CD1-CE1 4.2Å; A21-F42 HydrophobicContact CB-CB 4.45Å; A21-F42 HydrophobicContact CB-CD1 4.15Å; I38-F42 HydrophobicContact CG2-CD2 3.71Å; I38-F42 HydrophobicContact CG2-CE2 3.65Å; I38-F42 VanDerWaalsContact O-CD2 3.29Å; I38-F42 WeakPolarHBondContact O-CD2 3.25Å; I38-F42 PolarHBondContact O-N 3.22Å; I39-F42 CarbonylContact O-C 3.59Å; I39-F42 WeakPolarHBondContact O-CB 3.45Å; I39-F42 PolarHBondContact O-N 3.39Å; F42-F44 PolarHBondContact O-N 2.84Å; F42-V45 PolarHBondContact O-N 2.74Å; F42-Q46 VanDerWaalsContact O-CB 3.25Å; F42-Q46 WeakPolarHBondContact O-CB 3.32Å; F42-Q46 PolarHBondContact O-N 3.36Å
43A96.2Very high93.7Very high54 Ų5468.3 Ų68.345%0.44638%0.376SS..Hα-helixtrans-62.1-42.5177.300000112.1I39 F40 G41 Q46 A47I39-A43 PolarHBondContact O-N 3.33Å; F40-A43 WeakPolarHBondContact O-CB 3.45Å; F40-A43 PolarHBondContact O-N 3.23Å; G41-A43 VanDerWaalsContact C-N 3.26Å; G41-A43 PolarHBondContact O-N 2.88Å; A43-Q46 PolarHBondContact O-N 3.29Å; A43-A47 WeakPolarHBondContact O-CB 3.3Å; A43-A47 PolarHBondContact O-N 2.89Å
44F94.8Very high93.3Very high133 Ų13364.7 Ų64.758%0.58336%0.359SS*.Hα-helixtrans-67.1-41.9174.8-75.5-74.3000112.7F40 G41 F42 Q46 A47 G48F40-F44 HydrophobicContact CD1-CD2 4.36Å; F40-F44 AromaticContact CD1-CE2 3.73Å; F40-F44 HydrophobicContact CD1-CE2 3.73Å; F40-F44 HydrophobicContact CE1-CD2 4.4Å; F40-F44 AromaticContact CE1-CE2 3.37Å; F40-F44 HydrophobicContact CE1-CE2 3.37Å; F40-F44 HydrophobicContact CE1-CZ 4.03Å; F40-F44 HydrophobicContact CE2-CE2 4.41Å; F40-F44 HydrophobicContact CG-CE2 4.41Å; F40-F44 AromaticContact CZ-CE2 3.73Å; F40-F44 HydrophobicContact CZ-CE2 3.73Å; F40-F44 HydrophobicContact CZ-CZ 4.05Å; F40-F44 VanDerWaalsContact O-CD2 3.27Å; F40-F44 WeakPolarHBondContact O-CD2 3.38Å; F40-F44 PolarHBondContact O-N 3.42Å; G41-F44 PolarHBondContact O-N 3.27Å; F42-F44 PolarHBondContact O-N 2.84Å; F44-Q46 VanDerWaalsContact C-N 3.28Å; F44-Q46 PolarHBondContact O-N 3.17Å; F44-A47 PolarHBondContact O-N 2.88Å; F44-G48 PolarHBondContact O-N 3.42Å
45V96.2Very high93Very high88 Ų8867.4 Ų67.453%0.53337%0.367SS..Hα-helixtrans-61.4-41.5175.8177.80000110.3L17 G41 F42 G48 L49L17-V45 HydrophobicContact CD1-CG1 4.25Å; L17-V45 HydrophobicContact CD2-CB 4.11Å; L17-V45 HydrophobicContact CD2-CG1 3.74Å; G41-V45 WeakPolarHBondContact O-CG2 3.36Å; G41-V45 PolarHBondContact O-N 3.11Å; G41-V45 VanDerWaalsContact O-N 3.11Å; F42-V45 PolarHBondContact O-N 2.74Å; V45-G48 PolarHBondContact O-N 2.92Å; V45-L49 WeakPolarHBondContact O-CB 3.36Å; V45-L49 PolarHBondContact O-N 3.23Å
46Q96.6Very high92.3Very high27 Ų2767.9 Ų67.913%0.12637%0.37CS..Hα-helixtrans-63.7-47.1177.5-172.874-70.900111.5S14 L17 T18 F42 A43 F44 G48 L49 Q50S14-Q46 PolarHBondContact O-NE2 3.08Å; S14-Q46 VanDerWaalsContact OG-CD 3.27Å; S14-Q46 PolarHBondContact OG-NE2 3.06Å; S14-Q46 PolarHBondContact OG-OE1 3.22Å; L17-Q46 HydrophobicContact CD2-CB 3.71Å; L17-Q46 HydrophobicContact CD2-CG 4.4Å; T18-Q46 PolarHBondContact OG1-NE2 3.4Å; F42-Q46 VanDerWaalsContact O-CB 3.25Å; F42-Q46 WeakPolarHBondContact O-CB 3.32Å; F42-Q46 PolarHBondContact O-N 3.36Å; A43-Q46 PolarHBondContact O-N 3.29Å; F44-Q46 VanDerWaalsContact C-N 3.28Å; F44-Q46 PolarHBondContact O-N 3.17Å; Q46-G48 VanDerWaalsContact C-N 3.33Å; Q46-G48 PolarHBondContact O-N 3.42Å; Q46-L49 PolarHBondContact O-N 3.34Å; Q46-Q50 WeakPolarHBondContact O-CG 3.39Å; Q46-Q50 PolarHBondContact O-N 3Å
47A94.3Very high91.3Very high44 Ų4464.3 Ų64.336%0.36435%0.351SS..Hα-helixtrans-58.9-45.5175.900000111.2A43 F44 Q50 L51A43-A47 WeakPolarHBondContact O-CB 3.3Å; A43-A47 PolarHBondContact O-N 2.89Å; F44-A47 PolarHBondContact O-N 2.88Å; A47-Q50 PolarHBondContact O-N 2.87Å; A47-L51 VanDerWaalsContact O-CG 3.29Å; A47-L51 WeakPolarHBondContact O-CG 3.35Å; A47-L51 PolarHBondContact O-N 2.97Å
48G91.5Very high90.1Very high29 Ų2965.8 Ų65.830%0.29936%0.361SS..Hα-helixtrans-60.4-46.3176.800000112.9F44 V45 Q46 Q50 L51 L52F44-G48 PolarHBondContact O-N 3.42Å; V45-G48 PolarHBondContact O-N 2.92Å; Q46-G48 VanDerWaalsContact C-N 3.33Å; Q46-G48 PolarHBondContact O-N 3.42Å; G48-Q50 VanDerWaalsContact C-N 3.34Å; G48-Q50 PolarHBondContact O-N 3.29Å; G48-L51 PolarHBondContact O-N 3.22Å; G48-L52 WeakPolarHBondContact O-CB 3.37Å; G48-L52 VanDerWaalsContact O-CG 3.29Å; G48-L52 WeakPolarHBondContact O-CG 3.29Å; G48-L52 PolarHBondContact O-N 2.95Å
49L92.2Very high89Confident33 Ų3365.5 Ų65.517%0.17336%0.358CS..Hα-helixtrans-58.2-46.4176.9-165.8169.7000110.9A13 L17 V45 Q46 L52 M53A13-L49 HydrophobicContact CB-CD1 3.78Å; A13-L49 HydrophobicContact CB-CD2 4.38Å; L17-L49 HydrophobicContact CD2-CD1 4.43Å; V45-L49 WeakPolarHBondContact O-CB 3.36Å; V45-L49 PolarHBondContact O-N 3.23Å; Q46-L49 PolarHBondContact O-N 3.34Å; L49-L52 PolarHBondContact O-N 3.37Å; L49-M53 HydrophobicContact CD2-CB 4.27Å; L49-M53 HydrophobicContact CD2-CG 3.84Å; L49-M53 HydrophobicContact CG-CG 4.47Å; L49-M53 VanDerWaalsContact O-CB 3.29Å; L49-M53 WeakPolarHBondContact O-CB 3.43Å; L49-M53 WeakPolarHBondContact O-CG 3.38Å; L49-M53 PolarHBondContact O-N 3.43Å
50Q90.9Very high87.8Confident86 Ų8666 Ų6640%0.40238%0.378SS..Hα-helixtrans-66-42-179.1-71.1174.8-3.400112.5Q46 A47 G48 F54Q46-Q50 WeakPolarHBondContact O-CG 3.39Å; Q46-Q50 PolarHBondContact O-N 3Å; A47-Q50 PolarHBondContact O-N 2.87Å; G48-Q50 VanDerWaalsContact C-N 3.34Å; G48-Q50 PolarHBondContact O-N 3.29Å; Q50-F54 HydrophobicContact CB-CD2 4.09Å; Q50-F54 HydrophobicContact CG-CD2 4.11Å; Q50-F54 HydrophobicContact CG-CE2 4.19Å; Q50-F54 WeakPolarHBondContact O-CB 3.42Å; Q50-F54 PolarHBondContact O-N 2.89Å
51L89.6Confident86.6Confident41 Ų4169.9 Ų69.922%0.21540%0.395CS..Hα-helixtrans-63.2-45.2175.7-67.8173.8000111.3A47 G48 M55 V70 L74A47-L51 VanDerWaalsContact O-CG 3.29Å; A47-L51 WeakPolarHBondContact O-CG 3.35Å; A47-L51 PolarHBondContact O-N 2.97Å; G48-L51 PolarHBondContact O-N 3.22Å; L51-M55 HydrophobicContact CD2-CE 4.03Å; L51-M55 HydrophobicContact CD2-CG 4.25Å; L51-M55 HydrophobicContact CD2-SD 3.37Å; L51-M55 WeakPolarHBondContact CD2-SD 3.38Å; L51-M55 VanDerWaalsContact O-CB 3.25Å; L51-M55 WeakPolarHBondContact O-CB 3.3Å; L51-M55 PolarHBondContact O-N 3.43Å; L51-V70 HydrophobicContact CD1-CG1 4.22Å; L51-V70 HydrophobicContact CD2-CG1 4.02Å; L51-L74 HydrophobicContact CD1-CD1 4.18Å; L51-L74 HydrophobicContact CD1-CD2 4.19Å
52L85.6Confident85.6Confident113 Ų11373.3 Ų73.359%0.59241%0.405SS*.Hα-helixtrans-69.4-42.8-178.2-69.3169000112.7G48 L49 L57G48-L52 WeakPolarHBondContact O-CB 3.37Å; G48-L52 VanDerWaalsContact O-CG 3.29Å; G48-L52 WeakPolarHBondContact O-CG 3.29Å; G48-L52 PolarHBondContact O-N 2.95Å; L49-L52 PolarHBondContact O-N 3.37Å; L52-L57 HydrophobicContact CD2-CD1 4.27Å
53M84.5Confident84.8Confident51 Ų5171.1 Ų71.125%0.25140%0.397SS..Hα-helixtrans-87.8-38.5-171.9-63.4-60.6-64.500113.3K6 V9 L49K6-M53 HydrophobicContact CB-CE 4.2Å; K6-M53 WeakPolarHBondContact O-CE 3.09Å; V9-M53 HydrophobicContact CB-CE 4.34Å; V9-M53 HydrophobicContact CG1-CE 4.33Å; L49-M53 HydrophobicContact CD2-CB 4.27Å; L49-M53 HydrophobicContact CD2-CG 3.84Å; L49-M53 HydrophobicContact CG-CG 4.47Å; L49-M53 VanDerWaalsContact O-CB 3.29Å; L49-M53 WeakPolarHBondContact O-CB 3.43Å; L49-M53 WeakPolarHBondContact O-CG 3.38Å; L49-M53 PolarHBondContact O-N 3.43Å
54F88.1Confident84.1Confident63 Ų6379.3 Ų79.328%0.27642%0.417SS..Hα-helixtrans-97.5-29.8-175.5-63.5-62.1000113.8H7 F11 Q50 H56H7-F54 AromaticContact CE1-CD1 3.43Å; H7-F54 VanDerWaalsContact CE1-CD1 3.43Å; H7-F54 WeakPolarHBondContact CE1-CD1 3.42Å; H7-F54 AromaticContact CE1-CE1 3.3Å; H7-F54 WeakPolarHBondContact CE1-CE1 3.23Å; H7-F54 AromaticContact ND1-CD1 3.4Å; H7-F54 WeakPolarHBondContact ND1-CD1 2.93Å; H7-F54 AromaticContact ND1-CE1 3.46Å; H7-F54 WeakPolarHBondContact ND1-CE1 3.28Å; H7-F54 AromaticContact NE2-CE1 3.8Å; F11-F54 HydrophobicContact CB-CZ 4.29Å; Q50-F54 HydrophobicContact CB-CD2 4.09Å; Q50-F54 HydrophobicContact CG-CD2 4.11Å; Q50-F54 HydrophobicContact CG-CE2 4.19Å; Q50-F54 WeakPolarHBondContact O-CB 3.42Å; Q50-F54 PolarHBondContact O-N 2.89Å; F54-H56 VanDerWaalsContact C-N 3.25Å; F54-H56 PolarHBondContact O-CE1 2.9Å; F54-H56 PolarHBondContact O-N 3.42Å; F54-H56 PolarHBondContact O-ND1 2.99Å
55M87.2Confident83.7Confident88 Ų8878 Ų7843%0.43342%0.415SS..SBendtrans-869.4174.7-59.4-167.6153.800113.2L51 L57 Q66 V70L51-M55 HydrophobicContact CD2-CE 4.03Å; L51-M55 HydrophobicContact CD2-CG 4.25Å; L51-M55 HydrophobicContact CD2-SD 3.37Å; L51-M55 WeakPolarHBondContact CD2-SD 3.38Å; L51-M55 VanDerWaalsContact O-CB 3.25Å; L51-M55 WeakPolarHBondContact O-CB 3.3Å; L51-M55 PolarHBondContact O-N 3.43Å; M55-L57 HydrophobicContact CB-CD2 3.97Å; M55-L57 HydrophobicContact CB-CG 4.36Å; M55-L57 PolarHBondContact O-N 3.33Å; M55-Q66 PolarHBondContact O-NE2 3.49Å; M55-V70 HydrophobicContact SD-CG2 3.5Å; M55-V70 VanDerWaalsContact SD-CG2 3.5Å
56H79.8Confident83.2Confident53 Ų5377.3 Ų77.325%0.24541%0.406CS..  trans44.342.6170.6-58.589.2000114.3F54 T58 E59F54-H56 VanDerWaalsContact C-N 3.25Å; F54-H56 PolarHBondContact O-CE1 2.9Å; F54-H56 PolarHBondContact O-N 3.42Å; F54-H56 PolarHBondContact O-ND1 2.99Å; H56-T58 PolarHBondContact O-N 3.33Å; H56-E59 HydrophobicContact CB-CB 4.18Å; H56-E59 HydrophobicContact CB-CG 4.18Å; H56-E59 IonicContact CD2-OE1 3.68Å; H56-E59 IonicContact CD2-OE2 3.26Å; H56-E59 PolarHBondContact CD2-OE2 2.99Å; H56-E59 VanDerWaalsContact CD2-OE2 3.26Å; H56-E59 IonicContact CG-OE2 3.92Å; H56-E59 PolarHBondContact O-N 3.44Å
57L74.1Confident82.8Confident15 Ų1578.3 Ų78.38%0.07941%0.414CS..THydrogen-bonded Turntrans-59.2-24.1-169.3-63.6-175.4000114.4L52 M55 G63 Q66 T67 V70L52-L57 HydrophobicContact CD2-CD1 4.27Å; M55-L57 HydrophobicContact CB-CD2 3.97Å; M55-L57 HydrophobicContact CB-CG 4.36Å; M55-L57 PolarHBondContact O-N 3.33Å; L57-G63 CarbonylContact O-C 3.44Å; L57-Q66 HydrophobicContact CD2-CG 4.06Å; L57-T67 PolarHBondContact O-OG1 3.36Å; L57-T67 VanDerWaalsContact O-OG1 3.11Å; L57-V70 HydrophobicContact CD2-CB 4.14Å; L57-V70 HydrophobicContact CD2-CG2 3.63Å
58T71.1Confident82.6Confident131 Ų13183 Ų8380%0.80443%0.427SS*.THydrogen-bonded Turntrans-10511.9-177.3-38.30000112.8H56H56-T58 PolarHBondContact O-N 3.33Å
59E72Confident82.6Confident51 Ų5188.6 Ų88.624%0.23844%0.443CS..  trans-103.6144.9-178.9-61.5-166.7174.400113K6 H56 G63K6-E59 WeakPolarHBondContact CD-OE1 3.48Å; K6-E59 WeakPolarHBondContact CE-OE1 3.32Å; K6-E59 IonicContact NZ-OE1 2.67Å; K6-E59 PolarHBondContact NZ-OE1 2.92Å; H56-E59 HydrophobicContact CB-CB 4.18Å; H56-E59 HydrophobicContact CB-CG 4.18Å; H56-E59 IonicContact CD2-OE1 3.68Å; H56-E59 IonicContact CD2-OE2 3.26Å; H56-E59 PolarHBondContact CD2-OE2 2.99Å; H56-E59 VanDerWaalsContact CD2-OE2 3.26Å; H56-E59 IonicContact CG-OE2 3.92Å; H56-E59 PolarHBondContact O-N 3.44Å; E59-G63 WeakPolarHBondContact O-CA 3.3Å
60G70.2Confident82.6Confident72 Ų7288 Ų8874%0.74244%0.44SS*.SBendtrans81.7171.4174.600000115D62 G63G60-D62 PolarHBondContact O-N 3.36Å; G60-G63 PolarHBondContact O-N 2.97Å
61K70.4Confident82.6Confident209 Ų20988.4 Ų88.491%0.90944%0.444SS*.THydrogen-bonded Turntrans-63.3-27.5178.2-63.4177.764.5159.40111.8
62D75Confident82.9Confident107 Ų10792.4 Ų92.457%0.57246%0.46SS*.THydrogen-bonded Turntrans-104.812.6-174.8-59.3-38.3000113.8G60 R64 L65 Q66G60-D62 PolarHBondContact O-N 3.36Å; D62-R64 PolarHBondContact O-N 3.44Å; D62-L65 HydrophobicContact CB-CD1 4.24Å; D62-L65 WeakPolarHBondContact O-CA 3.43Å; D62-L65 WeakPolarHBondContact O-CB 3.46Å; D62-L65 PolarHBondContact O-N 3.5Å; D62-Q66 PolarHBondContact O-N 3.44Å
63G80.4Confident83.3Confident6 Ų689.3 Ų89.36%0.06245%0.451CS..Hα-helixtrans-54.9-31-178.700000113.6L57 E59 G60 Q66 T67L57-G63 CarbonylContact O-C 3.44Å; E59-G63 WeakPolarHBondContact O-CA 3.3Å; G60-G63 PolarHBondContact O-N 2.97Å; G63-Q66 PolarHBondContact O-N 3.24Å; G63-T67 WeakPolarHBondContact O-CB 3.4Å; G63-T67 PolarHBondContact O-N 2.98Å; G63-T67 PolarHBondContact O-OG1 3.43Å
64R81.8Confident83.7Confident226 Ų22690.8 Ų90.885%0.85346%0.459SS*.Hα-helixtrans-63.9-43.2172.8-69.5179.463.8-175.6-0.4112.8D62 Q66 T67 F68D62-R64 PolarHBondContact O-N 3.44Å; R64-Q66 VanDerWaalsContact C-N 3.3Å; R64-T67 PolarHBondContact O-N 2.9Å; R64-F68 PolarHBondContact O-N 3Å
65L86.3Confident84.1Confident105 Ų10591.3 Ų91.355%0.5547%0.468SS..Hα-helixtrans-66.4-37.5176.8-64.5175.3000110.5D62 F68 K69D62-L65 HydrophobicContact CB-CD1 4.24Å; D62-L65 WeakPolarHBondContact O-CA 3.43Å; D62-L65 WeakPolarHBondContact O-CB 3.46Å; D62-L65 PolarHBondContact O-N 3.5Å; L65-F68 PolarHBondContact O-N 3.28Å; L65-K69 WeakPolarHBondContact O-CG 3.29Å; L65-K69 PolarHBondContact O-N 2.93Å
66Q86.6Confident84.6Confident74 Ų7490.1 Ų90.135%0.34646%0.462SS..Hα-helixtrans-65.4-44.2175.7-176.4160.2-0.500112.4M55 L57 D62 G63 R64 F68 K69 V70M55-Q66 PolarHBondContact O-NE2 3.49Å; L57-Q66 HydrophobicContact CD2-CG 4.06Å; D62-Q66 PolarHBondContact O-N 3.44Å; G63-Q66 PolarHBondContact O-N 3.24Å; R64-Q66 VanDerWaalsContact C-N 3.3Å; Q66-F68 VanDerWaalsContact C-N 3.29Å; Q66-F68 PolarHBondContact O-N 3.32Å; Q66-K69 WeakPolarHBondContact O-CB 3.32Å; Q66-K69 PolarHBondContact O-N 3.49Å; Q66-V70 PolarHBondContact O-N 3.45Å; Q66-V70 VanDerWaalsContact O-N 3.13Å
67T87.6Confident85.4Confident47 Ų4791.2 Ų91.229%0.28847%0.473SS..Hα-helixtrans-59.4-42173.9-58.10000111.2L57 G63 R64 K69 V70 I71L57-T67 PolarHBondContact O-OG1 3.36Å; L57-T67 VanDerWaalsContact O-OG1 3.11Å; G63-T67 WeakPolarHBondContact O-CB 3.4Å; G63-T67 PolarHBondContact O-N 2.98Å; G63-T67 PolarHBondContact O-OG1 3.43Å; R64-T67 PolarHBondContact O-N 2.9Å; T67-K69 PolarHBondContact O-N 3.37Å; T67-V70 PolarHBondContact O-N 2.86Å; T67-I71 HydrophobicContact CG2-CD1 3.95Å; T67-I71 HydrophobicContact CG2-CG1 4.49Å; T67-I71 WeakPolarHBondContact O-CG1 3.23Å; T67-I71 PolarHBondContact O-N 2.9Å
68F89.8Confident86.4Confident144 Ų14495.7 Ų95.763%0.63250%0.496SS*.Hα-helixtrans-61.2-42.4176-173.6-98.4000112.5R64 L65 Q66 V70 I71 F72R64-F68 PolarHBondContact O-N 3Å; L65-F68 PolarHBondContact O-N 3.28Å; Q66-F68 VanDerWaalsContact C-N 3.29Å; Q66-F68 PolarHBondContact O-N 3.32Å; F68-V70 VanDerWaalsContact C-N 3.3Å; F68-V70 PolarHBondContact O-N 3.29Å; F68-I71 PolarHBondContact O-N 3.39Å; F68-F72 WeakPolarHBondContact O-CB 3.25Å; F68-F72 PolarHBondContact O-N 2.96Å
69K91.2Very high87.6Confident146 Ų14693.4 Ų93.464%0.63549%0.485SS*.Hα-helixtrans-58.9-41.6175.3-69.5171.7-174.1-179.50112L65 Q66 T67 F72 A73L65-K69 WeakPolarHBondContact O-CG 3.29Å; L65-K69 PolarHBondContact O-N 2.93Å; Q66-K69 WeakPolarHBondContact O-CB 3.32Å; Q66-K69 PolarHBondContact O-N 3.49Å; T67-K69 PolarHBondContact O-N 3.37Å; K69-F72 PolarHBondContact O-N 2.87Å; K69-A73 WeakPolarHBondContact O-CB 3.29Å; K69-A73 PolarHBondContact O-N 3.3Å
70V92Very high88.8Confident20 Ų2097.7 Ų97.712%0.12150%0.503CS..Hα-helixtrans-69.6-43.1178.8172.20000111.9L51 M55 L57 Q66 T67 F68 F72 A73 L74L51-V70 HydrophobicContact CD1-CG1 4.22Å; L51-V70 HydrophobicContact CD2-CG1 4.02Å; M55-V70 HydrophobicContact SD-CG2 3.5Å; M55-V70 VanDerWaalsContact SD-CG2 3.5Å; L57-V70 HydrophobicContact CD2-CB 4.14Å; L57-V70 HydrophobicContact CD2-CG2 3.63Å; Q66-V70 PolarHBondContact O-N 3.45Å; Q66-V70 VanDerWaalsContact O-N 3.13Å; T67-V70 PolarHBondContact O-N 2.86Å; F68-V70 VanDerWaalsContact C-N 3.3Å; F68-V70 PolarHBondContact O-N 3.29Å; V70-F72 VanDerWaalsContact C-N 3.3Å; V70-F72 PolarHBondContact O-N 2.89Å; V70-A73 PolarHBondContact O-N 3.44Å; V70-L74 HydrophobicContact CG1-CD1 4.24Å; V70-L74 HydrophobicContact CG1-CG 4.45Å; V70-L74 WeakPolarHBondContact O-CG 3.44Å; V70-L74 PolarHBondContact O-N 2.93Å
71I91.5Very high90Very high94 Ų9498.6 Ų98.648%0.48249%0.494SS..Hα-helixtrans-59.5-44.7174.8-67.1168.1000110.3T67 F68 A73 L74 V75T67-I71 HydrophobicContact CG2-CD1 3.95Å; T67-I71 HydrophobicContact CG2-CG1 4.49Å; T67-I71 WeakPolarHBondContact O-CG1 3.23Å; T67-I71 PolarHBondContact O-N 2.9Å; F68-I71 PolarHBondContact O-N 3.39Å; I71-A73 PolarHBondContact O-N 3.37Å; I71-L74 PolarHBondContact O-N 2.96Å; I71-V75 WeakPolarHBondContact O-CG2 3.33Å; I71-V75 PolarHBondContact O-N 3.42Å
72F95Very high91.2Very high126 Ų12693.2 Ų93.255%0.55348%0.478SS*.Hα-helixtrans-60.5-45.1176.5-179.6-114.1000112.3F68 K69 V70 L74 V75 I76F68-F72 WeakPolarHBondContact O-CB 3.25Å; F68-F72 PolarHBondContact O-N 2.96Å; K69-F72 PolarHBondContact O-N 2.87Å; V70-F72 VanDerWaalsContact C-N 3.3Å; V70-F72 PolarHBondContact O-N 2.89Å; F72-L74 VanDerWaalsContact C-N 3.33Å; F72-L74 PolarHBondContact O-N 3.34Å; F72-V75 PolarHBondContact O-N 2.87Å; F72-I76 HydrophobicContact CD1-CD1 3.66Å; F72-I76 HydrophobicContact CD2-CD1 4.33Å; F72-I76 HydrophobicContact CE1-CD1 3.25Å; F72-I76 HydrophobicContact CE1-CG1 4.41Å; F72-I76 HydrophobicContact CE2-CD1 3.97Å; F72-I76 HydrophobicContact CE2-CG1 4.34Å; F72-I76 HydrophobicContact CG-CD1 4.2Å; F72-I76 HydrophobicContact CZ-CD1 3.43Å; F72-I76 VanDerWaalsContact CZ-CD1 3.43Å; F72-I76 HydrophobicContact CZ-CG1 4.23Å; F72-I76 WeakPolarHBondContact O-CG1 3.37Å; F72-I76 PolarHBondContact O-N 3.25Å
73A94.3Very high92.2Very high48 Ų4889.6 Ų89.640%0.39747%0.466SS..Hα-helixtrans-62.5-37.8175.600000112.6K69 V70 I71 I76 T77K69-A73 WeakPolarHBondContact O-CB 3.29Å; K69-A73 PolarHBondContact O-N 3.3Å; V70-A73 PolarHBondContact O-N 3.44Å; I71-A73 PolarHBondContact O-N 3.37Å; A73-I76 PolarHBondContact O-N 3.23Å; A73-T77 WeakPolarHBondContact O-CB 3.38Å; A73-T77 PolarHBondContact O-N 3.47Å; A73-T77 PolarHBondContact O-OG1 2.96Å
74L93.3Very high92.9Very high81 Ų8192.8 Ų92.842%0.42448%0.484SS..Hα-helixtrans-65.3-43.7174.7-75.2174.6000111.7L51 V70 I71 F72 T77 L78L51-L74 HydrophobicContact CD1-CD1 4.18Å; L51-L74 HydrophobicContact CD1-CD2 4.19Å; V70-L74 HydrophobicContact CG1-CD1 4.24Å; V70-L74 HydrophobicContact CG1-CG 4.45Å; V70-L74 WeakPolarHBondContact O-CG 3.44Å; V70-L74 PolarHBondContact O-N 2.93Å; I71-L74 PolarHBondContact O-N 2.96Å; F72-L74 VanDerWaalsContact C-N 3.33Å; F72-L74 PolarHBondContact O-N 3.34Å; L74-T77 PolarHBondContact O-N 2.94Å; L74-L78 VanDerWaalsContact O-CG 3.3Å; L74-L78 WeakPolarHBondContact O-CG 3.24Å; L74-L78 PolarHBondContact O-N 3.4Å
75V97Very high93.3Very high75 Ų7589.1 Ų89.146%0.45547%0.471SS..Hα-helixtrans-60.3-48.4175.8171.90000110.5I71 F72 T77 L78 C79I71-V75 WeakPolarHBondContact O-CG2 3.33Å; I71-V75 PolarHBondContact O-N 3.42Å; F72-V75 PolarHBondContact O-N 2.87Å; V75-T77 VanDerWaalsContact C-N 3.33Å; V75-T77 PolarHBondContact O-N 2.91Å; V75-L78 PolarHBondContact O-N 3.28Å; V75-C79 PolarHBondContact O-N 3.25Å; V75-C79 PolarHBondContact O-SG 3.4Å; V75-C79 VanDerWaalsContact O-SG 3.34Å
76I97.5Very high93.5Very high62 Ų6292.9 Ų92.932%0.31848%0.479SS..Hα-helixtrans-56.7-49175.7-71.2164.6000110.4F72 A73 L78 C79 F80F72-I76 HydrophobicContact CD1-CD1 3.66Å; F72-I76 HydrophobicContact CD2-CD1 4.33Å; F72-I76 HydrophobicContact CE1-CD1 3.25Å; F72-I76 HydrophobicContact CE1-CG1 4.41Å; F72-I76 HydrophobicContact CE2-CD1 3.97Å; F72-I76 HydrophobicContact CE2-CG1 4.34Å; F72-I76 HydrophobicContact CG-CD1 4.2Å; F72-I76 HydrophobicContact CZ-CD1 3.43Å; F72-I76 VanDerWaalsContact CZ-CD1 3.43Å; F72-I76 HydrophobicContact CZ-CG1 4.23Å; F72-I76 WeakPolarHBondContact O-CG1 3.37Å; F72-I76 PolarHBondContact O-N 3.25Å; A73-I76 PolarHBondContact O-N 3.23Å; I76-L78 VanDerWaalsContact C-N 3.31Å; I76-L78 PolarHBondContact O-N 3.46Å; I76-C79 WeakPolarHBondContact O-CB 3.46Å; I76-C79 PolarHBondContact O-N 3.13Å; I76-C79 VanDerWaalsContact O-N 3.17Å; I76-F80 HydrophobicContact CG2-CD2 3.43Å; I76-F80 VanDerWaalsContact CG2-CD2 3.43Å; I76-F80 HydrophobicContact CG2-CE2 3.43Å; I76-F80 VanDerWaalsContact CG2-CE2 3.43Å; I76-F80 VanDerWaalsContact O-CD2 3.26Å; I76-F80 WeakPolarHBondContact O-CD2 3.45Å; I76-F80 PolarHBondContact O-N 3.39Å
77T95.3Very high93.7Very high77 Ų7793.6 Ų93.647%0.47249%0.488SS..Hα-helixtrans-57.8-43.9179.3-58.90000111.5A73 L74 V75 F80 V81A73-T77 WeakPolarHBondContact O-CB 3.38Å; A73-T77 PolarHBondContact O-N 3.47Å; A73-T77 PolarHBondContact O-OG1 2.96Å; L74-T77 PolarHBondContact O-N 2.94Å; V75-T77 VanDerWaalsContact C-N 3.33Å; V75-T77 PolarHBondContact O-N 2.91Å; T77-F80 PolarHBondContact O-N 3.36Å; T77-V81 HydrophobicContact CG2-CG2 4.48Å; T77-V81 WeakPolarHBondContact O-CG2 3.41Å; T77-V81 PolarHBondContact O-N 3.3Å
78L95.6Very high93.8Very high108 Ų10897.1 Ų97.157%0.56550%0.502SS*.Hα-helixtrans-65-43.5176.6-70173000111.8L74 V75 I76 F80 V81 V82L74-L78 VanDerWaalsContact O-CG 3.3Å; L74-L78 WeakPolarHBondContact O-CG 3.24Å; L74-L78 PolarHBondContact O-N 3.4Å; V75-L78 PolarHBondContact O-N 3.28Å; I76-L78 VanDerWaalsContact C-N 3.31Å; I76-L78 PolarHBondContact O-N 3.46Å; L78-F80 VanDerWaalsContact C-N 3.29Å; L78-F80 PolarHBondContact O-N 3Å; L78-V81 PolarHBondContact O-N 3.26Å; L78-V82 WeakPolarHBondContact O-CB 2.97Å; L78-V82 VanDerWaalsContact O-CG2 3.32Å; L78-V82 WeakPolarHBondContact O-CG2 3.38Å; L78-V82 PolarHBondContact O-N 2.63Å
79C97Very high93.6Very high84 Ų8495.1 Ų95.157%0.56850%0.495SS*.Hα-helixtrans-59.2-40.8173.6-70.80000111.7V75 I76 G83V75-C79 PolarHBondContact O-N 3.25Å; V75-C79 PolarHBondContact O-SG 3.4Å; V75-C79 VanDerWaalsContact O-SG 3.34Å; I76-C79 WeakPolarHBondContact O-CB 3.46Å; I76-C79 PolarHBondContact O-N 3.13Å; I76-C79 VanDerWaalsContact O-N 3.17Å; C79-G83 VanDerWaalsContact O-CA 3.27Å; C79-G83 WeakPolarHBondContact O-CA 3.49Å; C79-G83 PolarHBondContact O-N 3.03Å
80F96.8Very high92.9Very high140 Ų14090.5 Ų90.561%0.61449%0.489SS*.Hα-helixtrans-65.2-47.8175.5-90.8-76.4000111.9I76 T77 L78 T84I76-F80 HydrophobicContact CG2-CD2 3.43Å; I76-F80 VanDerWaalsContact CG2-CD2 3.43Å; I76-F80 HydrophobicContact CG2-CE2 3.43Å; I76-F80 VanDerWaalsContact CG2-CE2 3.43Å; I76-F80 VanDerWaalsContact O-CD2 3.26Å; I76-F80 WeakPolarHBondContact O-CD2 3.45Å; I76-F80 PolarHBondContact O-N 3.39Å; T77-F80 PolarHBondContact O-N 3.36Å; L78-F80 VanDerWaalsContact C-N 3.29Å; L78-F80 PolarHBondContact O-N 3Å; F80-T84 WeakPolarHBondContact O-CB 3.19Å; F80-T84 PolarHBondContact O-N 3.04Å; F80-T84 PolarHBondContact O-OG1 3.19Å
81V95.6Very high91.7Very high92 Ų9292 Ų9256%0.55851%0.508SS*.Hα-helixtrans-63.6-52.1-179.3170.70000110.7T77 L78 Y85T77-V81 HydrophobicContact CG2-CG2 4.48Å; T77-V81 WeakPolarHBondContact O-CG2 3.41Å; T77-V81 PolarHBondContact O-N 3.3Å; L78-V81 PolarHBondContact O-N 3.26Å; V81-Y85 VanDerWaalsContact O-CB 3.26Å; V81-Y85 WeakPolarHBondContact O-CB 3.35Å; V81-Y85 PolarHBondContact O-N 3.4Å
82V95.6Very high90.4Very high96 Ų9695 Ų9558%0.58252%0.52SS*.Hα-helixtrans-67.4-43.8-179176.50000110.8L78 Y85 W86L78-V82 WeakPolarHBondContact O-CB 2.97Å; L78-V82 VanDerWaalsContact O-CG2 3.32Å; L78-V82 WeakPolarHBondContact O-CG2 3.38Å; L78-V82 PolarHBondContact O-N 2.63Å; V82-Y85 PolarHBondContact O-N 3.01Å; V82-W86 WeakPolarHBondContact O-CB 3.38Å; V82-W86 PolarHBondContact O-N 2.88Å
83G95.5Very high88.8Confident30 Ų3093.2 Ų93.231%0.30952%0.523SS..Hα-helixtrans-63.3-45178.900000112.2C79 W86 V87C79-G83 VanDerWaalsContact O-CA 3.27Å; C79-G83 WeakPolarHBondContact O-CA 3.49Å; C79-G83 PolarHBondContact O-N 3.03Å; G83-W86 PolarHBondContact O-N 3.01Å; G83-V87 WeakPolarHBondContact O-CG2 3.09Å; G83-V87 PolarHBondContact O-N 2.97Å
84T94.8Very high87.3Confident73 Ų7395.9 Ų95.945%0.44854%0.538SS..Hα-helixtrans-65.4-45.4177-56.20000110.9F80 W86 V87 M88F80-T84 WeakPolarHBondContact O-CB 3.19Å; F80-T84 PolarHBondContact O-N 3.04Å; F80-T84 PolarHBondContact O-OG1 3.19Å; T84-W86 VanDerWaalsContact C-N 3.31Å; T84-W86 PolarHBondContact O-N 3.35Å; T84-V87 PolarHBondContact O-N 3.46Å; T84-M88 HydrophobicContact CG2-CG 4.38Å; T84-M88 HydrophobicContact CG2-SD 3.99Å; T84-M88 VanDerWaalsContact O-CG 3.27Å; T84-M88 WeakPolarHBondContact O-CG 3.44Å; T84-M88 PolarHBondContact O-N 3.34Å
85Y91.8Very high85.6Confident149 Ų149100.1 Ų100.158%0.58456%0.556SS**Hα-helixtrans-58.3-44.3175.7177.8-100.6000111.6V81 V82 M88 Q89V81-Y85 VanDerWaalsContact O-CB 3.26Å; V81-Y85 WeakPolarHBondContact O-CB 3.35Å; V81-Y85 PolarHBondContact O-N 3.4Å; V82-Y85 PolarHBondContact O-N 3.01Å; Y85-M88 PolarHBondContact O-N 3.05Å; Y85-Q89 HydrophobicContact CD1-CG 4.4Å; Y85-Q89 HydrophobicContact CD2-CG 4.49Å; Y85-Q89 HydrophobicContact CE1-CG 3.99Å; Y85-Q89 HydrophobicContact CE2-CG 4.1Å; Y85-Q89 WeakPolarHBondContact O-CG 3.22Å; Y85-Q89 PolarHBondContact O-N 3.43Å
86W90.2Very high83.4Confident185 Ų185107.6 Ų107.670%0.70159%0.592SS**Hα-helixtrans-62.4-43176.317977.3000112.5V82 G83 T84 M88 Q89 G90V82-W86 WeakPolarHBondContact O-CB 3.38Å; V82-W86 PolarHBondContact O-N 2.88Å; G83-W86 PolarHBondContact O-N 3.01Å; T84-W86 VanDerWaalsContact C-N 3.31Å; T84-W86 PolarHBondContact O-N 3.35Å; W86-M88 VanDerWaalsContact C-N 3.35Å; W86-M88 PolarHBondContact O-N 2.92Å; W86-Q89 PolarHBondContact O-N 3.16Å; W86-G90 PolarHBondContact O-N 2.67Å
87V90.6Very high82.7Confident88 Ų88109.9 Ų109.953%0.53361%0.605SS.*Hα-helixtrans-63.5-40.3175.9170.10000111.4G83 T84 G91G83-V87 WeakPolarHBondContact O-CG2 3.09Å; G83-V87 PolarHBondContact O-N 2.97Å; T84-V87 PolarHBondContact O-N 3.46Å; V87-G91 WeakPolarHBondContact O-CA 3.4Å; V87-G91 PolarHBondContact O-N 3.43Å
88M89.5Confident82Confident122 Ų122111.6 Ų111.660%0.60161%0.612SS**Hα-helixtrans-64.9-40177.7-70.3173.971.200112.1T84 Y85 W86T84-M88 HydrophobicContact CG2-CG 4.38Å; T84-M88 HydrophobicContact CG2-SD 3.99Å; T84-M88 VanDerWaalsContact O-CG 3.27Å; T84-M88 WeakPolarHBondContact O-CG 3.44Å; T84-M88 PolarHBondContact O-N 3.34Å; Y85-M88 PolarHBondContact O-N 3.05Å; W86-M88 VanDerWaalsContact C-N 3.35Å; W86-M88 PolarHBondContact O-N 2.92Å
89Q85.3Confident81.2Confident102 Ų102111.8 Ų111.848%0.47762%0.615SS.*Hα-helixtrans-74-48.1176.5-63.2-61.689.400111.4Y85 W86 S93Y85-Q89 HydrophobicContact CD1-CG 4.4Å; Y85-Q89 HydrophobicContact CD2-CG 4.49Å; Y85-Q89 HydrophobicContact CE1-CG 3.99Å; Y85-Q89 HydrophobicContact CE2-CG 4.1Å; Y85-Q89 WeakPolarHBondContact O-CG 3.22Å; Y85-Q89 PolarHBondContact O-N 3.43Å; W86-Q89 PolarHBondContact O-N 3.16Å; Q89-S93 VanDerWaalsContact O-CB 3.23Å; Q89-S93 WeakPolarHBondContact O-CB 3.48Å; Q89-S93 PolarHBondContact O-N 3.06Å; Q89-S93 PolarHBondContact O-OG 3.31Å
90G77.7Confident80.3Confident49 Ų49113.4 Ų113.451%0.50562%0.618SS.*Hα-helixtrans-75.8-36.5-174.400000114.5W86W86-G90 PolarHBondContact O-N 2.67Å
91G65.9Low79.3Confident50 Ų50111.8 Ų111.852%0.51562%0.618SS.*Hα-helixtrans-78.9-26-171.600000115.1V87V87-G91 WeakPolarHBondContact O-CA 3.4Å; V87-G91 PolarHBondContact O-N 3.43Å
92H64.4Low78.2Confident159 Ų159113.1 Ų113.174%0.73662%0.622SS**Hα-helixtrans-109.5-8.3179-84.8140.7000114.5S94 H95H92-S94 PolarHBondContact O-N 3.11Å; H92-S94 VanDerWaalsContact O-N 3.15Å; H92-H95 PolarHBondContact O-N 2.88Å
93S61.6Low77Confident88 Ų88114.3 Ų114.362%0.61563%0.625SS**THydrogen-bonded Turntrans-71-3.7177.4-66.40000114.3Q89Q89-S93 VanDerWaalsContact O-CB 3.23Å; Q89-S93 WeakPolarHBondContact O-CB 3.48Å; Q89-S93 PolarHBondContact O-N 3.06Å; Q89-S93 PolarHBondContact O-OG 3.31Å
94S62.6Low75.5Confident104 Ų104120.8 Ų120.873%0.72765%0.649SS**THydrogen-bonded Turntrans-93.8-0.2175.557.30000114H92H92-S94 PolarHBondContact O-N 3.11Å; H92-S94 VanDerWaalsContact O-N 3.15Å
95H57.1Low73.9Confident170 Ų170124.8 Ų124.879%0.78767%0.666SS**  trans-137.849.4178.2-159.3-87000113.8H92H92-H95 PolarHBondContact O-N 2.88Å
96L50.6Low72.3Confident231 Ų231122.5 Ų122.5100%1.20967%0.673SS**  trans-150.90148.2-89.8172.4000107.8

Retrieved 96 of 96 residues in 220.1 ms (Link to these results)

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