A0A077ZHB5_TRITR Loading...

DUF7083 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZHB5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 304 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
1M74.2Confident85.4Confident83 Ų8361.9 Ų61.941%0.40937%0.37SS..  0-47.30-74.3-55.5-116.400113.6L4 A5 L39 A43 L47 R50M1-L4 PolarHBondContact O-N 2.92Å; M1-A5 PolarHBondContact O-N 3.47Å; M1-L39 HydrophobicContact CE-CD1 3.93Å; M1-L39 HydrophobicContact SD-CD1 3.47Å; M1-L39 WeakPolarHBondContact SD-CD1 3.31Å; M1-L39 HydrophobicContact SD-CD2 4.04Å; M1-L39 HydrophobicContact SD-CG 4.44Å; M1-A43 HydrophobicContact CE-CB 3.62Å; M1-A43 WeakPolarHBondContact CE-O 3.27Å; M1-L47 HydrophobicContact CE-CB 3.89Å; M1-R50 PolarHBondContact O-NH2 3.18Å
2D78Confident85.9Confident110 Ų11062.7 Ų62.759%0.58837%0.371SS*.Hα-helixtrans-68.4-40.5-177.8-62.1-50000114.1L4 A5 A6 R50D2-L4 VanDerWaalsContact C-N 3.33Å; D2-L4 PolarHBondContact O-N 2.88Å; D2-A5 PolarHBondContact O-N 2.91Å; D2-A6 PolarHBondContact O-N 3.49Å; D2-R50 IonicContact OD1-CZ 3.75Å; D2-R50 IonicContact OD1-NH1 3.18Å; D2-R50 PolarHBondContact OD1-NH1 3.41Å; D2-R50 IonicContact OD1-NH2 2.75Å; D2-R50 PolarHBondContact OD1-NH2 2.92Å
3T82.1Confident86Confident127 Ų12760.7 Ų60.778%0.77935%0.353SS*.Hα-helixtrans-60.4-43.8173.8-39.50000111.8A5 A6T3-A5 VanDerWaalsContact C-N 3.31Å; T3-A5 PolarHBondContact O-N 3.11Å; T3-A6 PolarHBondContact O-N 3.32Å
4L80.7Confident85.7Confident36 Ų3660.4 Ų60.419%0.18835%0.35CS..Hα-helixtrans-65.4-34176.5-67.7177.1000112.3M1 D2 S7 F31 E35 L39 L47M1-L4 PolarHBondContact O-N 2.92Å; D2-L4 VanDerWaalsContact C-N 3.33Å; D2-L4 PolarHBondContact O-N 2.88Å; L4-S7 PolarHBondContact O-OG 3.38Å; L4-F31 HydrophobicContact CB-CE1 4.34Å; L4-F31 HydrophobicContact CB-CZ 3.74Å; L4-F31 HydrophobicContact CD2-CE1 4.48Å; L4-F31 HydrophobicContact CD2-CE2 4.04Å; L4-F31 HydrophobicContact CD2-CZ 3.58Å; L4-F31 HydrophobicContact CG-CZ 4.22Å; L4-F31 WeakPolarHBondContact O-CZ 3.22Å; L4-E35 HydrophobicContact CD2-CB 4.12Å; L4-L39 HydrophobicContact CD1-CD1 4.08Å; L4-L47 HydrophobicContact CB-CD2 4.23Å
5A83.9Confident84.9Confident5 Ų560.8 Ų60.84%0.04136%0.355CS..Hα-helixtrans-70.5-37.9174.900000110.8M1 D2 T3 S7 I8 L47 R50 K51M1-A5 PolarHBondContact O-N 3.47Å; D2-A5 PolarHBondContact O-N 2.91Å; T3-A5 VanDerWaalsContact C-N 3.31Å; T3-A5 PolarHBondContact O-N 3.11Å; A5-S7 PolarHBondContact O-N 3.32Å; A5-S7 VanDerWaalsContact O-N 3.13Å; A5-I8 PolarHBondContact O-N 2.76Å; A5-I8 VanDerWaalsContact O-N 3.1Å; A5-L47 HydrophobicContact CB-CD1 3.81Å; A5-R50 VanDerWaalsContact CB-NH2 3.25Å; A5-K51 WeakPolarHBondContact O-CE 3.31Å; A5-K51 PolarHBondContact O-NZ 3.4Å
6A87Confident83.8Confident85 Ų8559.4 Ų59.470%0.70235%0.35SS*.Hα-helixtrans-60.5-26-175.900000114D2 T3D2-A6 PolarHBondContact O-N 3.49Å; T3-A6 PolarHBondContact O-N 3.32Å
7S85.6Confident83.1Confident64 Ų6459.1 Ų59.145%0.44835%0.349SS..THydrogen-bonded Turntrans-78.7-15.3178.2570000114.5L4 A5 F31L4-S7 PolarHBondContact O-OG 3.38Å; A5-S7 PolarHBondContact O-N 3.32Å; A5-S7 VanDerWaalsContact O-N 3.13Å; S7-F31 WeakPolarHBondContact OG-CE2 3.38Å; S7-F31 WeakPolarHBondContact OG-CZ 3.5Å
8I90Very high82.4Confident5 Ų564.1 Ų64.13%0.02637%0.368CS..SBendtrans-102129.8-177.7-57170.7000110.4A5 W24 Y28 F31 F32 K51A5-I8 PolarHBondContact O-N 2.76Å; A5-I8 VanDerWaalsContact O-N 3.1Å; I8-W24 HydrophobicContact CG2-CH2 4.03Å; I8-W24 HydrophobicContact CG2-CZ2 3.49Å; I8-W24 VanDerWaalsContact CG2-CZ2 3.49Å; I8-Y28 HydrophobicContact CB-CD1 4.49Å; I8-Y28 HydrophobicContact CB-CE1 4.44Å; I8-Y28 HydrophobicContact CG1-CD1 4.1Å; I8-Y28 HydrophobicContact CG1-CE1 4.46Å; I8-Y28 HydrophobicContact CG1-CG 4.42Å; I8-Y28 HydrophobicContact CG2-CD1 4.31Å; I8-Y28 HydrophobicContact CG2-CD2 3.98Å; I8-Y28 HydrophobicContact CG2-CE1 4.31Å; I8-Y28 HydrophobicContact CG2-CE2 3.97Å; I8-Y28 HydrophobicContact CG2-CG 4.15Å; I8-F31 HydrophobicContact CD1-CD1 3.72Å; I8-F31 HydrophobicContact CD1-CE1 3.5Å; I8-F31 HydrophobicContact CD1-CZ 4.26Å; I8-F31 HydrophobicContact CG1-CD1 4.13Å; I8-F31 HydrophobicContact CG1-CE1 4.01Å; I8-F31 HydrophobicContact CG1-CZ 4.39Å; I8-F32 HydrophobicContact CD1-CE1 4.46Å; I8-F32 HydrophobicContact CD1-CE2 3.95Å; I8-F32 HydrophobicContact CD1-CZ 3.71Å; I8-K51 HydrophobicContact CB-CD 3.95Å; I8-K51 HydrophobicContact CB-CG 4.01Å; I8-K51 HydrophobicContact CG2-CB 4.09Å; I8-K51 HydrophobicContact CG2-CD 3.99Å; I8-K51 HydrophobicContact CG2-CG 3.83Å; I8-K51 WeakPolarHBondContact O-CD 3.5Å; I8-K51 WeakPolarHBondContact O-CE 3.4Å; I8-K51 PolarHBondContact O-NZ 3.19Å
9S91.8Very high82.3Confident49 Ų4966.4 Ų66.434%0.34338%0.379SS..PPolyproline II helixtrans-73.5143171.168.10000111.9W24 Y28S9-W24 VanDerWaalsContact O-CZ2 3.24Å; S9-W24 WeakPolarHBondContact O-CZ2 3.02Å; S9-W24 PolarHBondContact O-NE1 3.27Å; S9-W24 PolarHBondContact OG-NE1 3.06Å; S9-Y28 VanDerWaalsContact CB-OH 3.25Å; S9-Y28 WeakPolarHBondContact CB-OH 3.2Å; S9-Y28 PolarHBondContact N-OH 2.99Å; S9-Y28 VanDerWaalsContact N-OH 3.13Å; S9-Y28 PolarHBondContact OG-OH 3.49Å
10E92.7Very high82.6Confident112 Ų11264 Ų6452%0.52337%0.366SS..PPolyproline II helixtrans-62.3145174.7-65.6-179172.100112.4K51 W53E10-K51 CarbonylContact C-O 3.51Å; E10-K51 VanDerWaalsContact CA-O 3.3Å; E10-K51 WeakPolarHBondContact CA-O 3.43Å; E10-K51 HydrophobicContact CG-CD 4.48Å; E10-W53 HydrophobicContact CB-CE3 4.39Å; E10-W53 WeakPolarHBondContact OE2-CZ3 3.31Å
11F93.6Very high83.1Confident5 Ų561 Ų612%0.02235%0.348CS..BIsolated β-bridgetrans-103.5118.6175.5178.6-108.4000110.4Y13 F21 W24 K51 L52 W53 V56 F85F11-Y13 HydrophobicContact CZ-CD2 4.17Å; F11-F21 HydrophobicContact CD1-CD2 4.08Å; F11-F21 HydrophobicContact CE1-CB 3.93Å; F11-F21 HydrophobicContact CE1-CD2 4Å; F11-F21 HydrophobicContact CE1-CG 4.48Å; F11-F21 HydrophobicContact CE2-CB 4.37Å; F11-F21 VanDerWaalsContact CZ-CA 3.45Å; F11-F21 HydrophobicContact CZ-CB 3.71Å; F11-F21 HydrophobicContact CZ-CD2 4.44Å; F11-F21 VanDerWaalsContact CZ-N 3.34Å; F11-W24 HydrophobicContact CB-CD2 3.79Å; F11-W24 HydrophobicContact CB-CE3 4.29Å; F11-W24 HydrophobicContact CB-CG 4.02Å; F11-W24 HydrophobicContact CB-CZ2 4.03Å; F11-W24 HydrophobicContact CD2-CB 3.51Å; F11-W24 AromaticContact CD2-CD1 3.68Å; F11-W24 HydrophobicContact CD2-CD2 4.01Å; F11-W24 AromaticContact CD2-CG 3.48Å; F11-W24 HydrophobicContact CD2-CG 3.48Å; F11-W24 VanDerWaalsContact CD2-CG 3.48Å; F11-W24 HydrophobicContact CE2-CB 3.87Å; F11-W24 HydrophobicContact CE2-CG 4.34Å; F11-W24 HydrophobicContact CG-CB 4.45Å; F11-W24 HydrophobicContact CG-CD2 4.12Å; F11-W24 HydrophobicContact CG-CE3 4.47Å; F11-W24 HydrophobicContact CG-CG 4.07Å; F11-K51 PolarHBondContact N-O 2.87Å; F11-L52 HydrophobicContact CB-CD2 4.09Å; F11-L52 HydrophobicContact CD1-CD2 3.94Å; F11-L52 HydrophobicContact CG-CD2 4.45Å; F11-W53 WeakPolarHBondContact O-CB 3.41Å; F11-W53 PolarHBondContact O-N 3Å; F11-V56 HydrophobicContact CD1-CG1 4.13Å; F11-V56 HydrophobicContact CD1-CG2 4.35Å; F11-V56 HydrophobicContact CE1-CG1 4.17Å; F11-V56 HydrophobicContact CE1-CG2 4.38Å; F11-F85 HydrophobicContact CE1-CB 4.22Å; F11-F85 HydrophobicContact CZ-CB 4.33Å
12D91.2Very high83.9Confident71 Ų7161.7 Ų61.738%0.3835%0.351SS..  trans-112.3139.6165.3-174.118.9000109.1W53 N55D12-W53 HydrophobicContact CB-CB 3.94Å; D12-W53 HydrophobicContact CB-CD2 4.24Å; D12-W53 HydrophobicContact CB-CE3 4.24Å; D12-W53 HydrophobicContact CB-CG 4.15Å; D12-N55 PolarHBondContact OD1-ND2 3.12Å; D12-N55 PolarHBondContact OD1-OD1 3.45Å
13Y87.2Confident84.5Confident37 Ų3758.9 Ų58.915%0.14534%0.343CS..  trans-101.4106.8-179.9178-107.8000110.5F11 P15 F85F11-Y13 HydrophobicContact CZ-CD2 4.17Å; Y13-P15 HydrophobicContact CD1-CG 4.22Å; Y13-P15 HydrophobicContact CE1-CB 4.45Å; Y13-P15 HydrophobicContact CE1-CG 3.68Å; Y13-F85 AromaticContact CD1-CD1 3.43Å; Y13-F85 HydrophobicContact CD1-CD1 3.43Å; Y13-F85 VanDerWaalsContact CD1-CD1 3.43Å; Y13-F85 AromaticContact CD1-CE1 3.91Å; Y13-F85 HydrophobicContact CD1-CE1 3.91Å; Y13-F85 HydrophobicContact CD2-CB 3.84Å; Y13-F85 AromaticContact CD2-CD1 3.93Å; Y13-F85 HydrophobicContact CD2-CD1 3.93Å; Y13-F85 HydrophobicContact CD2-CG 4.33Å; Y13-F85 AromaticContact CE1-CD1 3.84Å; Y13-F85 HydrophobicContact CE1-CD1 3.84Å; Y13-F85 HydrophobicContact CE1-CE1 4.45Å; Y13-F85 HydrophobicContact CE2-CB 4.12Å; Y13-F85 HydrophobicContact CE2-CD1 4.33Å; Y13-F85 WeakPolarHBondContact CE2-O 3.21Å; Y13-F85 HydrophobicContact CG-CB 4.2Å; Y13-F85 AromaticContact CG-CD1 3.45Å; Y13-F85 HydrophobicContact CG-CD1 3.45Å; Y13-F85 VanDerWaalsContact CG-CD1 3.45Å; Y13-F85 HydrophobicContact CG-CE1 4.2Å; Y13-F85 HydrophobicContact CG-CG 4.19Å
14D81.6Confident85.1Confident57 Ų5753.3 Ų53.331%0.30531%0.307SS..  trans-106.2112.1166.1-178.76.8000110.6S16 T17D14-S16 VanDerWaalsContact CG-OG 3.25Å; D14-S16 PolarHBondContact O-N 3.28Å; D14-S16 WeakPolarHBondContact OD1-CB 3.47Å; D14-S16 PolarHBondContact OD1-N 3.12Å; D14-S16 PolarHBondContact OD1-OG 3.43Å; D14-S16 WeakPolarHBondContact OD2-CB 3.17Å; D14-S16 PolarHBondContact OD2-OG 3.17Å; D14-T17 HydrophobicContact CB-CG2 3.97Å; D14-T17 PolarHBondContact O-N 3.31Å; D14-T17 PolarHBondContact O-OG1 3.25Å
15P73.5Confident85.7Confident66 Ų6652.5 Ų52.543%0.42930%0.303SS..THydrogen-bonded Turntrans-53.9-21172.9-22.229.6000114.4Y13 R97Y13-P15 HydrophobicContact CD1-CG 4.22Å; Y13-P15 HydrophobicContact CE1-CB 4.45Å; Y13-P15 HydrophobicContact CE1-CG 3.68Å; P15-R97 VanDerWaalsContact O-CZ 3.28Å; P15-R97 PolarHBondContact O-NE 2.9Å; P15-R97 PolarHBondContact O-NH2 3.11Å
16S66.7Low86.1Confident39 Ų3956 Ų5627%0.27333%0.326SS..THydrogen-bonded Turntrans-79.1-29.2-179.7100.20000113D14 R97 K101D14-S16 VanDerWaalsContact CG-OG 3.25Å; D14-S16 PolarHBondContact O-N 3.28Å; D14-S16 WeakPolarHBondContact OD1-CB 3.47Å; D14-S16 PolarHBondContact OD1-N 3.12Å; D14-S16 PolarHBondContact OD1-OG 3.43Å; D14-S16 WeakPolarHBondContact OD2-CB 3.17Å; D14-S16 PolarHBondContact OD2-OG 3.17Å; S16-R97 PolarHBondContact O-NH2 3.34Å; S16-K101 PolarHBondContact O-NZ 3.14Å
17T72.2Confident86.4Confident53 Ų5359.6 Ų59.633%0.32532%0.322SS..SBendtrans-86.4169.4174.267.40000111.4D14 R97D14-T17 HydrophobicContact CB-CG2 3.97Å; D14-T17 PolarHBondContact O-N 3.31Å; D14-T17 PolarHBondContact O-OG1 3.25Å; T17-R97 PolarHBondContact O-NH2 3.46Å; T17-R97 VanDerWaalsContact O-NH2 3.08Å
18E71.2Confident86.7Confident149 Ų14958.5 Ų58.570%0.69631%0.308SS*.SBendtrans-97.810.4172.9-66.7-172.6169.700112.3T20E18-T20 PolarHBondContact O-N 3.23Å
19D79.5Confident86.8Confident109 Ų10962.3 Ų62.358%0.58333%0.326SS*.  trans-7776.9179.5-64.4-25.9000109.9
20T90Very high86.7Confident18 Ų1865.5 Ų65.511%0.1134%0.339CS..  trans-77156.417660.10000111.3E18 E22 A23 W24 F85 H87E18-T20 PolarHBondContact O-N 3.23Å; T20-E22 PolarHBondContact O-N 3.07Å; T20-A23 PolarHBondContact O-N 3.21Å; T20-A23 WeakPolarHBondContact OG1-CB 3.25Å; T20-A23 PolarHBondContact OG1-N 3.49Å; T20-W24 PolarHBondContact O-N 3.43Å; T20-F85 WeakPolarHBondContact CA-O 3.47Å; T20-H87 HydrophobicContact CG2-CB 4.32Å
21F92.8Very high86.5Confident0 Ų061.1 Ų61.10%032%0.318CS..Hα-helixtrans-59-39.4174.6177-96.8000111.6F11 A23 W24 F25 L48 L52 V78 L81 T82 F85F11-F21 HydrophobicContact CD1-CD2 4.08Å; F11-F21 HydrophobicContact CE1-CB 3.93Å; F11-F21 HydrophobicContact CE1-CD2 4Å; F11-F21 HydrophobicContact CE1-CG 4.48Å; F11-F21 HydrophobicContact CE2-CB 4.37Å; F11-F21 VanDerWaalsContact CZ-CA 3.45Å; F11-F21 HydrophobicContact CZ-CB 3.71Å; F11-F21 HydrophobicContact CZ-CD2 4.44Å; F11-F21 VanDerWaalsContact CZ-N 3.34Å; F21-A23 PolarHBondContact O-N 3.04Å; F21-W24 HydrophobicContact CD2-CE3 4.13Å; F21-W24 HydrophobicContact CD2-CZ3 4.43Å; F21-W24 AromaticContact CE2-CE3 3.95Å; F21-W24 HydrophobicContact CE2-CE3 3.95Å; F21-W24 AromaticContact CE2-CZ3 3.83Å; F21-W24 HydrophobicContact CE2-CZ3 3.83Å; F21-W24 PolarHBondContact O-N 3.34Å; F21-F25 HydrophobicContact CD1-CB 4.43Å; F21-F25 HydrophobicContact CE1-CB 4.08Å; F21-F25 HydrophobicContact CE1-CD2 4.28Å; F21-F25 HydrophobicContact CE1-CG 4.23Å; F21-F25 HydrophobicContact CZ-CB 4.19Å; F21-F25 AromaticContact CZ-CD2 3.87Å; F21-F25 HydrophobicContact CZ-CD2 3.87Å; F21-F25 HydrophobicContact CZ-CG 4.24Å; F21-F25 WeakPolarHBondContact O-CB 3.49Å; F21-F25 PolarHBondContact O-N 2.88Å; F21-L48 HydrophobicContact CE2-CD1 4.17Å; F21-L48 HydrophobicContact CZ-CD1 4.22Å; F21-L48 HydrophobicContact CZ-CD2 4.37Å; F21-L52 HydrophobicContact CE2-CD2 4.19Å; F21-V78 HydrophobicContact CE1-CG1 4.18Å; F21-L81 HydrophobicContact CD1-CB 3.68Å; F21-L81 HydrophobicContact CD2-CB 4.03Å; F21-L81 HydrophobicContact CD2-CD1 4.47Å; F21-L81 HydrophobicContact CE1-CB 3.5Å; F21-L81 HydrophobicContact CE1-CD1 4.34Å; F21-L81 HydrophobicContact CE2-CB 3.87Å; F21-L81 HydrophobicContact CE2-CD1 3.67Å; F21-L81 HydrophobicContact CE2-CG 4.33Å; F21-L81 HydrophobicContact CG-CB 3.94Å; F21-L81 HydrophobicContact CZ-CB 3.6Å; F21-L81 HydrophobicContact CZ-CD1 3.59Å; F21-L81 HydrophobicContact CZ-CG 4.25Å; F21-T82 WeakPolarHBondContact CD1-OG1 3.35Å; F21-F85 HydrophobicContact CB-CB 3.72Å; F21-F85 PolarHBondContact N-O 2.7Å
22E91Very high86.4Confident99 Ų9960.9 Ų60.946%0.46332%0.317SS..Hα-helixtrans-57.6-48.7176.6-172.9179.6-177.600111.7T20 F25 S26 T82T20-E22 PolarHBondContact O-N 3.07Å; E22-F25 PolarHBondContact O-N 3.04Å; E22-S26 WeakPolarHBondContact O-CB 3.1Å; E22-S26 PolarHBondContact O-N 3.06Å; E22-T82 HydrophobicContact CB-CG2 4.39Å
23A90.7Very high86.3Confident51 Ų5161.2 Ų61.242%0.42132%0.319SS..Hα-helixtrans-66-39177.600000112.5T20 F21T20-A23 PolarHBondContact O-N 3.21Å; T20-A23 WeakPolarHBondContact OG1-CB 3.25Å; T20-A23 PolarHBondContact OG1-N 3.49Å; F21-A23 PolarHBondContact O-N 3.04Å
24W94.2Very high86.3Confident9 Ų965.3 Ų65.33%0.03434%0.342CS..Hα-helixtrans-66.7-45.3176.1174.6100.8000111.6I8 S9 F11 T20 F21 R27 Y28 L48 K51I8-W24 HydrophobicContact CG2-CH2 4.03Å; I8-W24 HydrophobicContact CG2-CZ2 3.49Å; I8-W24 VanDerWaalsContact CG2-CZ2 3.49Å; S9-W24 VanDerWaalsContact O-CZ2 3.24Å; S9-W24 WeakPolarHBondContact O-CZ2 3.02Å; S9-W24 PolarHBondContact O-NE1 3.27Å; S9-W24 PolarHBondContact OG-NE1 3.06Å; F11-W24 HydrophobicContact CB-CD2 3.79Å; F11-W24 HydrophobicContact CB-CE3 4.29Å; F11-W24 HydrophobicContact CB-CG 4.02Å; F11-W24 HydrophobicContact CB-CZ2 4.03Å; F11-W24 HydrophobicContact CD2-CB 3.51Å; F11-W24 AromaticContact CD2-CD1 3.68Å; F11-W24 HydrophobicContact CD2-CD2 4.01Å; F11-W24 AromaticContact CD2-CG 3.48Å; F11-W24 HydrophobicContact CD2-CG 3.48Å; F11-W24 VanDerWaalsContact CD2-CG 3.48Å; F11-W24 HydrophobicContact CE2-CB 3.87Å; F11-W24 HydrophobicContact CE2-CG 4.34Å; F11-W24 HydrophobicContact CG-CB 4.45Å; F11-W24 HydrophobicContact CG-CD2 4.12Å; F11-W24 HydrophobicContact CG-CE3 4.47Å; F11-W24 HydrophobicContact CG-CG 4.07Å; T20-W24 PolarHBondContact O-N 3.43Å; F21-W24 HydrophobicContact CD2-CE3 4.13Å; F21-W24 HydrophobicContact CD2-CZ3 4.43Å; F21-W24 AromaticContact CE2-CE3 3.95Å; F21-W24 HydrophobicContact CE2-CE3 3.95Å; F21-W24 AromaticContact CE2-CZ3 3.83Å; F21-W24 HydrophobicContact CE2-CZ3 3.83Å; F21-W24 PolarHBondContact O-N 3.34Å; W24-R27 PolarHBondContact O-N 2.82Å; W24-Y28 HydrophobicContact CD2-CD2 4.24Å; W24-Y28 HydrophobicContact CD2-CE2 4.39Å; W24-Y28 AromaticContact CE2-CD2 3.93Å; W24-Y28 AromaticContact CE2-CE2 3.83Å; W24-Y28 HydrophobicContact CZ2-CD2 4.14Å; W24-Y28 HydrophobicContact CZ2-CE2 4.23Å; W24-Y28 AromaticContact NE1-CE2 3.75Å; W24-Y28 WeakPolarHBondContact O-CD2 3.15Å; W24-L48 HydrophobicContact CH2-CD1 3.87Å; W24-L48 HydrophobicContact CZ3-CD1 3.68Å; W24-K51 HydrophobicContact CH2-CB 4.19Å; W24-K51 HydrophobicContact CZ2-CB 4.12Å
25F93.7Very high86.5Confident20 Ų2067.8 Ų67.89%0.08835%0.352CS..Hα-helixtrans-67.2-40.4-176.1-175.1-98.4000111.6F21 E22 R27 Y28 E29 F32 L48 F74 V78F21-F25 HydrophobicContact CD1-CB 4.43Å; F21-F25 HydrophobicContact CE1-CB 4.08Å; F21-F25 HydrophobicContact CE1-CD2 4.28Å; F21-F25 HydrophobicContact CE1-CG 4.23Å; F21-F25 HydrophobicContact CZ-CB 4.19Å; F21-F25 AromaticContact CZ-CD2 3.87Å; F21-F25 HydrophobicContact CZ-CD2 3.87Å; F21-F25 HydrophobicContact CZ-CG 4.24Å; F21-F25 WeakPolarHBondContact O-CB 3.49Å; F21-F25 PolarHBondContact O-N 2.88Å; E22-F25 PolarHBondContact O-N 3.04Å; F25-R27 PolarHBondContact O-N 3.21Å; F25-R27 VanDerWaalsContact O-N 3.1Å; F25-Y28 CarbonylContact O-C 3.15Å; F25-Y28 WeakPolarHBondContact O-CA 3.1Å; F25-Y28 PolarHBondContact O-N 2.84Å; F25-E29 HydrophobicContact CD1-CB 4.45Å; F25-E29 HydrophobicContact CE1-CB 4.25Å; F25-E29 HydrophobicContact CE1-CG 4.12Å; F25-E29 PolarHBondContact O-N 2.94Å; F25-F32 HydrophobicContact CD2-CD2 4.45Å; F25-F32 AromaticContact CE2-CD2 3.81Å; F25-F32 HydrophobicContact CE2-CD2 3.81Å; F25-F32 HydrophobicContact CE2-CE2 4.19Å; F25-F32 HydrophobicContact CE2-CG 4.41Å; F25-F32 HydrophobicContact CZ-CD2 4.43Å; F25-L48 HydrophobicContact CD2-CD1 4.44Å; F25-F74 AromaticContact CE2-CZ 3.85Å; F25-F74 HydrophobicContact CE2-CZ 3.85Å; F25-F74 HydrophobicContact CZ-CE1 4.06Å; F25-F74 AromaticContact CZ-CZ 3.84Å; F25-F74 HydrophobicContact CZ-CZ 3.84Å; F25-V78 HydrophobicContact CD1-CG1 4.16Å; F25-V78 HydrophobicContact CD2-CG2 4.43Å; F25-V78 HydrophobicContact CE1-CG1 3.86Å; F25-V78 HydrophobicContact CE1-CG2 4.36Å; F25-V78 HydrophobicContact CE2-CG1 4.36Å; F25-V78 HydrophobicContact CE2-CG2 3.66Å; F25-V78 HydrophobicContact CZ-CB 4.49Å; F25-V78 HydrophobicContact CZ-CG1 3.97Å; F25-V78 HydrophobicContact CZ-CG2 3.62Å
26S92.5Very high87.1Confident77 Ų7764.7 Ų64.754%0.53833%0.332SS..Hα-helixtrans-55.9-29.9177.6-179.50000113.3E22 Y28E22-S26 WeakPolarHBondContact O-CB 3.1Å; E22-S26 PolarHBondContact O-N 3.06Å; S26-Y28 VanDerWaalsContact C-N 3.26Å; S26-Y28 PolarHBondContact O-N 2.77Å
27R91.7Very high88.1Confident162 Ų16265.8 Ų65.861%0.61134%0.343SS*.THydrogen-bonded Turntrans-69.5-22.8175.4-63.6-176.6-64.8179.1-2.1113.9W24 F25W24-R27 PolarHBondContact O-N 2.82Å; F25-R27 PolarHBondContact O-N 3.21Å; F25-R27 VanDerWaalsContact O-N 3.1Å
28Y92.7Very high88.8Confident40 Ų4072.4 Ų72.416%0.15737%0.371CS..THydrogen-bonded Turntrans-120.79-175.6-56-68.5000112.1I8 S9 W24 F25 S26 F31 F32I8-Y28 HydrophobicContact CB-CD1 4.49Å; I8-Y28 HydrophobicContact CB-CE1 4.44Å; I8-Y28 HydrophobicContact CG1-CD1 4.1Å; I8-Y28 HydrophobicContact CG1-CE1 4.46Å; I8-Y28 HydrophobicContact CG1-CG 4.42Å; I8-Y28 HydrophobicContact CG2-CD1 4.31Å; I8-Y28 HydrophobicContact CG2-CD2 3.98Å; I8-Y28 HydrophobicContact CG2-CE1 4.31Å; I8-Y28 HydrophobicContact CG2-CE2 3.97Å; I8-Y28 HydrophobicContact CG2-CG 4.15Å; S9-Y28 VanDerWaalsContact CB-OH 3.25Å; S9-Y28 WeakPolarHBondContact CB-OH 3.2Å; S9-Y28 PolarHBondContact N-OH 2.99Å; S9-Y28 VanDerWaalsContact N-OH 3.13Å; S9-Y28 PolarHBondContact OG-OH 3.49Å; W24-Y28 HydrophobicContact CD2-CD2 4.24Å; W24-Y28 HydrophobicContact CD2-CE2 4.39Å; W24-Y28 AromaticContact CE2-CD2 3.93Å; W24-Y28 AromaticContact CE2-CE2 3.83Å; W24-Y28 HydrophobicContact CZ2-CD2 4.14Å; W24-Y28 HydrophobicContact CZ2-CE2 4.23Å; W24-Y28 AromaticContact NE1-CE2 3.75Å; W24-Y28 WeakPolarHBondContact O-CD2 3.15Å; F25-Y28 CarbonylContact O-C 3.15Å; F25-Y28 WeakPolarHBondContact O-CA 3.1Å; F25-Y28 PolarHBondContact O-N 2.84Å; S26-Y28 VanDerWaalsContact C-N 3.26Å; S26-Y28 PolarHBondContact O-N 2.77Å; Y28-F31 VanDerWaalsContact O-CB 3.3Å; Y28-F31 WeakPolarHBondContact O-CB 3.22Å; Y28-F31 PolarHBondContact O-N 3.14Å; Y28-F31 VanDerWaalsContact O-N 3.16Å; Y28-F32 VanDerWaalsContact O-CD2 3.25Å; Y28-F32 WeakPolarHBondContact O-CD2 3.33Å; Y28-F32 PolarHBondContact O-N 3.32Å
29E91.7Very high89.7Confident85 Ų8567.5 Ų67.540%0.39735%0.349SS..Hα-helixtrans-61-49.5-177-179173.2-175.900110.9F25 F31 F32 N33F25-E29 HydrophobicContact CD1-CB 4.45Å; F25-E29 HydrophobicContact CE1-CB 4.25Å; F25-E29 HydrophobicContact CE1-CG 4.12Å; F25-E29 PolarHBondContact O-N 2.94Å; E29-F31 PolarHBondContact O-N 3.47Å; E29-F32 PolarHBondContact O-N 3Å; E29-F32 VanDerWaalsContact O-N 3.11Å; E29-N33 WeakPolarHBondContact O-CB 3.29Å; E29-N33 PolarHBondContact O-N 3Å; E29-N33 PolarHBondContact O-ND2 3Å
30D89.4Confident90.3Very high117 Ų11766.9 Ų66.963%0.62635%0.346SS*.Hα-helixtrans-60.2-36.2175.3-72-21000112.1F32 N33 I34D30-F32 PolarHBondContact O-N 3.5Å; D30-N33 PolarHBondContact O-N 3.01Å; D30-I34 HydrophobicContact CB-CD1 4.32Å; D30-I34 VanDerWaalsContact O-CB 3.31Å; D30-I34 WeakPolarHBondContact O-CB 3.37Å; D30-I34 WeakPolarHBondContact O-CG1 3.32Å; D30-I34 PolarHBondContact O-N 3.44Å
31F90.4Very high90.4Very high19 Ų1969.5 Ų69.58%0.08336%0.359CS..Iπ-helixtrans-62.4-44.7175.9178.2-82.5000111.1L4 S7 I8 Y28 E29 N33 E35 A36 L47L4-F31 HydrophobicContact CB-CE1 4.34Å; L4-F31 HydrophobicContact CB-CZ 3.74Å; L4-F31 HydrophobicContact CD2-CE1 4.48Å; L4-F31 HydrophobicContact CD2-CE2 4.04Å; L4-F31 HydrophobicContact CD2-CZ 3.58Å; L4-F31 HydrophobicContact CG-CZ 4.22Å; L4-F31 WeakPolarHBondContact O-CZ 3.22Å; S7-F31 WeakPolarHBondContact OG-CE2 3.38Å; S7-F31 WeakPolarHBondContact OG-CZ 3.5Å; I8-F31 HydrophobicContact CD1-CD1 3.72Å; I8-F31 HydrophobicContact CD1-CE1 3.5Å; I8-F31 HydrophobicContact CD1-CZ 4.26Å; I8-F31 HydrophobicContact CG1-CD1 4.13Å; I8-F31 HydrophobicContact CG1-CE1 4.01Å; I8-F31 HydrophobicContact CG1-CZ 4.39Å; Y28-F31 VanDerWaalsContact O-CB 3.3Å; Y28-F31 WeakPolarHBondContact O-CB 3.22Å; Y28-F31 PolarHBondContact O-N 3.14Å; Y28-F31 VanDerWaalsContact O-N 3.16Å; E29-F31 PolarHBondContact O-N 3.47Å; F31-N33 VanDerWaalsContact C-N 3.31Å; F31-N33 PolarHBondContact O-N 3.31Å; F31-E35 HydrophobicContact CD2-CB 4.18Å; F31-E35 HydrophobicContact CD2-CG 4.14Å; F31-E35 WeakPolarHBondContact CD2-OE1 3.32Å; F31-E35 WeakPolarHBondContact CD2-OE2 3.48Å; F31-E35 HydrophobicContact CE2-CB 4.17Å; F31-E35 VanDerWaalsContact CE2-CD 3.41Å; F31-E35 HydrophobicContact CE2-CG 4.34Å; F31-E35 WeakPolarHBondContact CE2-OE2 3.49Å; F31-E35 HydrophobicContact CZ-CB 4.48Å; F31-E35 WeakPolarHBondContact O-CB 3.26Å; F31-E35 PolarHBondContact O-N 2.72Å; F31-E35 VanDerWaalsContact O-N 3.08Å; F31-A36 PolarHBondContact O-N 3.5Å; F31-A36 VanDerWaalsContact O-N 3.07Å; F31-L47 HydrophobicContact CE1-CD2 4.18Å
32F90.8Very high90.3Very high0 Ų070.4 Ų70.40%037%0.367CS..Iπ-helixtrans-71.4-24.7176.5-78.6-73.6000113.6I8 F25 Y28 E29 D30 A36 R44 L47 L48 F74I8-F32 HydrophobicContact CD1-CE1 4.46Å; I8-F32 HydrophobicContact CD1-CE2 3.95Å; I8-F32 HydrophobicContact CD1-CZ 3.71Å; F25-F32 HydrophobicContact CD2-CD2 4.45Å; F25-F32 AromaticContact CE2-CD2 3.81Å; F25-F32 HydrophobicContact CE2-CD2 3.81Å; F25-F32 HydrophobicContact CE2-CE2 4.19Å; F25-F32 HydrophobicContact CE2-CG 4.41Å; F25-F32 HydrophobicContact CZ-CD2 4.43Å; Y28-F32 VanDerWaalsContact O-CD2 3.25Å; Y28-F32 WeakPolarHBondContact O-CD2 3.33Å; Y28-F32 PolarHBondContact O-N 3.32Å; E29-F32 PolarHBondContact O-N 3Å; E29-F32 VanDerWaalsContact O-N 3.11Å; D30-F32 PolarHBondContact O-N 3.5Å; F32-A36 HydrophobicContact CD1-CB 4.31Å; F32-R44 PolarHBondContact O-NE 2.99Å; F32-R44 PolarHBondContact O-NH2 3.31Å; F32-L47 HydrophobicContact CE1-CB 4.42Å; F32-L47 HydrophobicContact CE1-CD2 4.02Å; F32-L47 HydrophobicContact CE1-CG 4.13Å; F32-L48 HydrophobicContact CE1-CB 4.18Å; F32-L48 HydrophobicContact CE2-CD1 4.23Å; F32-L48 HydrophobicContact CZ-CB 4.11Å; F32-L48 HydrophobicContact CZ-CD1 3.96Å; F32-F74 HydrophobicContact CB-CE1 4.26Å; F32-F74 HydrophobicContact CB-CZ 3.71Å; F32-F74 AromaticContact CD1-CE2 3.72Å; F32-F74 HydrophobicContact CD1-CE2 3.72Å; F32-F74 AromaticContact CD1-CZ 3.67Å; F32-F74 HydrophobicContact CD1-CZ 3.67Å; F32-F74 HydrophobicContact CD2-CZ 4.36Å; F32-F74 HydrophobicContact CE1-CE2 4.08Å; F32-F74 HydrophobicContact CE1-CZ 4.37Å; F32-F74 HydrophobicContact CG-CE2 4.2Å; F32-F74 AromaticContact CG-CZ 3.67Å; F32-F74 HydrophobicContact CG-CZ 3.67Å
33N88.6Confident90.4Very high79 Ų7965.9 Ų65.942%0.42235%0.346SS..Iπ-helixtrans-90.9-26.1-178.3-72.7-20.9000113.9E29 D30 F31 A37E29-N33 WeakPolarHBondContact O-CB 3.29Å; E29-N33 PolarHBondContact O-N 3Å; E29-N33 PolarHBondContact O-ND2 3Å; D30-N33 PolarHBondContact O-N 3.01Å; F31-N33 VanDerWaalsContact C-N 3.31Å; F31-N33 PolarHBondContact O-N 3.31Å; N33-A37 WeakPolarHBondContact O-CB 3.24Å
34I88.1Confident90.5Very high122 Ų12264.9 Ų64.963%0.62633%0.331SS*.Iπ-helixtrans-108.9-61.9-177.2-56.8172.6000110.1D30 A37D30-I34 HydrophobicContact CB-CD1 4.32Å; D30-I34 VanDerWaalsContact O-CB 3.31Å; D30-I34 WeakPolarHBondContact O-CB 3.37Å; D30-I34 WeakPolarHBondContact O-CG1 3.32Å; D30-I34 PolarHBondContact O-N 3.44Å; I34-A37 VanDerWaalsContact O-CB 3.27Å; I34-A37 WeakPolarHBondContact O-CB 3.38Å; I34-A37 PolarHBondContact O-N 2.82Å
35E85.9Confident90.5Very high110 Ų11064.5 Ų64.551%0.51433%0.33SS..Iπ-helixtrans-73.8-33.3-173.6-62-173.5-143.500112.6L4 F31L4-E35 HydrophobicContact CD2-CB 4.12Å; F31-E35 HydrophobicContact CD2-CB 4.18Å; F31-E35 HydrophobicContact CD2-CG 4.14Å; F31-E35 WeakPolarHBondContact CD2-OE1 3.32Å; F31-E35 WeakPolarHBondContact CD2-OE2 3.48Å; F31-E35 HydrophobicContact CE2-CB 4.17Å; F31-E35 VanDerWaalsContact CE2-CD 3.41Å; F31-E35 HydrophobicContact CE2-CG 4.34Å; F31-E35 WeakPolarHBondContact CE2-OE2 3.49Å; F31-E35 HydrophobicContact CZ-CB 4.48Å; F31-E35 WeakPolarHBondContact O-CB 3.26Å; F31-E35 PolarHBondContact O-N 2.72Å; F31-E35 VanDerWaalsContact O-N 3.08Å
36A86.4Confident90.5Very high0 Ų068.9 Ų68.90%035%0.346CS..THydrogen-bonded Turntrans-93.39.4176.100000113.4F31 F32 E38 L39 R44F31-A36 PolarHBondContact O-N 3.5Å; F31-A36 VanDerWaalsContact O-N 3.07Å; F32-A36 HydrophobicContact CD1-CB 4.31Å; A36-E38 VanDerWaalsContact C-N 3.28Å; A36-E38 PolarHBondContact O-N 2.91Å; A36-L39 HydrophobicContact CB-CD1 4Å; A36-L39 WeakPolarHBondContact O-CB 3.34Å; A36-L39 PolarHBondContact O-N 3.34Å; A36-R44 HydrophobicContact CB-CG 4.43Å
37A87Confident90.5Very high62 Ų6265.3 Ų65.351%0.51232%0.321SS..THydrogen-bonded Turntrans-65.2-31-178.200000113.2N33 I34 L39N33-A37 WeakPolarHBondContact O-CB 3.24Å; I34-A37 VanDerWaalsContact O-CB 3.27Å; I34-A37 WeakPolarHBondContact O-CB 3.38Å; I34-A37 PolarHBondContact O-N 2.82Å; A37-L39 PolarHBondContact O-N 3.18Å
38E87.3Confident90.6Very high193 Ų19357.6 Ų57.690%0.90229%0.292SS*.THydrogen-bonded Turntrans-75.9-11.4178.6-61.8-176.2170.300113.1A36A36-E38 VanDerWaalsContact C-N 3.28Å; A36-E38 PolarHBondContact O-N 2.91Å
39L89.6Confident90.6Very high45 Ų4556.3 Ų56.324%0.23629%0.288CS..SBendtrans-85.1140.4-178.8-63.3178.3000110.6M1 L4 A36 A37 A43 R44 L47M1-L39 HydrophobicContact CE-CD1 3.93Å; M1-L39 HydrophobicContact SD-CD1 3.47Å; M1-L39 WeakPolarHBondContact SD-CD1 3.31Å; M1-L39 HydrophobicContact SD-CD2 4.04Å; M1-L39 HydrophobicContact SD-CG 4.44Å; L4-L39 HydrophobicContact CD1-CD1 4.08Å; A36-L39 HydrophobicContact CB-CD1 4Å; A36-L39 WeakPolarHBondContact O-CB 3.34Å; A36-L39 PolarHBondContact O-N 3.34Å; A37-L39 PolarHBondContact O-N 3.18Å; L39-A43 HydrophobicContact CB-CB 3.85Å; L39-A43 HydrophobicContact CD1-CB 4.41Å; L39-A43 HydrophobicContact CD2-CB 4.17Å; L39-A43 HydrophobicContact CG-CB 4.38Å; L39-R44 HydrophobicContact CB-CG 3.82Å; L39-L47 HydrophobicContact CD1-CD2 4.4Å
40D91.7Very high90.7Very high97 Ų9758 Ų5852%0.51929%0.29SS..  trans-63.1156168.772.4-34.3000110.7A42 A43 R44 R46D40-A42 PolarHBondContact O-N 2.95Å; D40-A42 VanDerWaalsContact O-N 3.13Å; D40-A43 WeakPolarHBondContact O-CA 3.37Å; D40-A43 WeakPolarHBondContact O-CB 3.49Å; D40-A43 PolarHBondContact O-N 3.45Å; D40-A43 WeakPolarHBondContact OD1-CB 3.45Å; D40-A43 PolarHBondContact OD1-N 3.44Å; D40-R44 PolarHBondContact O-N 3.27Å; D40-R46 IonicContact OD1-NH2 3.94Å
41D92.2Very high90.9Very high72 Ų7253.6 Ų53.639%0.38527%0.266SS..Hα-helixtrans-53.4-39.7-178.5-86.6-6.2000112.2A43 R44 V45 C73D41-A43 VanDerWaalsContact C-N 3.32Å; D41-A43 PolarHBondContact O-N 2.71Å; D41-R44 PolarHBondContact O-N 2.87Å; D41-R44 IonicContact OD1-NH1 2.72Å; D41-V45 WeakPolarHBondContact O-CB 3.46Å; D41-V45 VanDerWaalsContact O-CG2 3.31Å; D41-V45 WeakPolarHBondContact O-CG2 3.46Å; D41-V45 PolarHBondContact O-N 2.7Å; D41-C73 WeakPolarHBondContact OD2-CB 3.05Å
42A91.5Very high91.1Very high20 Ų2053.2 Ų53.217%0.16527%0.265CS..Hα-helixtrans-63.8-36.1177.700000111.9D40 R46D40-A42 PolarHBondContact O-N 2.95Å; D40-A42 VanDerWaalsContact O-N 3.13Å; A42-R46 VanDerWaalsContact CB-NH1 3.34Å; A42-R46 WeakPolarHBondContact O-CB 3.42Å; A42-R46 VanDerWaalsContact O-CG 3.23Å; A42-R46 WeakPolarHBondContact O-CG 3.49Å; A42-R46 PolarHBondContact O-N 2.99Å; A42-R46 PolarHBondContact O-NH1 2.81Å
43A92.2Very high91.2Very high4 Ų459 Ų593%0.03329%0.286CS..Hα-helixtrans-68.8-44.6171.400000112.1M1 L39 D40 D41 V45 R46 L47M1-A43 HydrophobicContact CE-CB 3.62Å; M1-A43 WeakPolarHBondContact CE-O 3.27Å; L39-A43 HydrophobicContact CB-CB 3.85Å; L39-A43 HydrophobicContact CD1-CB 4.41Å; L39-A43 HydrophobicContact CD2-CB 4.17Å; L39-A43 HydrophobicContact CG-CB 4.38Å; D40-A43 WeakPolarHBondContact O-CA 3.37Å; D40-A43 WeakPolarHBondContact O-CB 3.49Å; D40-A43 PolarHBondContact O-N 3.45Å; D40-A43 WeakPolarHBondContact OD1-CB 3.45Å; D40-A43 PolarHBondContact OD1-N 3.44Å; D41-A43 VanDerWaalsContact C-N 3.32Å; D41-A43 PolarHBondContact O-N 2.71Å; A43-V45 VanDerWaalsContact C-N 3.31Å; A43-V45 PolarHBondContact O-N 3.47Å; A43-R46 PolarHBondContact O-N 3.11Å; A43-R46 VanDerWaalsContact O-N 3.17Å; A43-L47 WeakPolarHBondContact O-CB 3.41Å; A43-L47 PolarHBondContact O-N 3.47Å
44R93.5Very high91.4Very high29 Ų2960.4 Ų60.411%0.10930%0.298CS..Hα-helixtrans-58.5-44.1177.9-62.9176.374.7-155.66111.1F32 A36 L39 D40 D41 L47 L48 F74F32-R44 PolarHBondContact O-NE 2.99Å; F32-R44 PolarHBondContact O-NH2 3.31Å; A36-R44 HydrophobicContact CB-CG 4.43Å; L39-R44 HydrophobicContact CB-CG 3.82Å; D40-R44 PolarHBondContact O-N 3.27Å; D41-R44 PolarHBondContact O-N 2.87Å; D41-R44 IonicContact OD1-NH1 2.72Å; R44-L47 PolarHBondContact O-N 3.41Å; R44-L48 WeakPolarHBondContact O-CB 3.49Å; R44-L48 PolarHBondContact O-N 2.99Å; R44-F74 HydrophobicContact CB-CB 4.21Å; R44-F74 HydrophobicContact CB-CD2 3.48Å; R44-F74 VanDerWaalsContact CB-CD2 3.48Å; R44-F74 HydrophobicContact CB-CE2 4.03Å; R44-F74 HydrophobicContact CB-CG 3.96Å; R44-F74 VanDerWaalsContact NH2-CE1 3.32Å
45V94Very high91.5Very high1 Ų157.4 Ų57.41%0.00628%0.283CS..Hα-helixtrans-63.3-46.6174.6173.70000111.3D41 A43 L47 L48 L49 P69 F74 T77D41-V45 WeakPolarHBondContact O-CB 3.46Å; D41-V45 VanDerWaalsContact O-CG2 3.31Å; D41-V45 WeakPolarHBondContact O-CG2 3.46Å; D41-V45 PolarHBondContact O-N 2.7Å; A43-V45 VanDerWaalsContact C-N 3.31Å; A43-V45 PolarHBondContact O-N 3.47Å; V45-L47 VanDerWaalsContact C-N 3.27Å; V45-L47 PolarHBondContact O-N 3.14Å; V45-L48 PolarHBondContact O-N 3.29Å; V45-L49 HydrophobicContact CG1-CD1 3.73Å; V45-L49 HydrophobicContact CG1-CG 4.06Å; V45-L49 WeakPolarHBondContact O-CB 3.47Å; V45-L49 VanDerWaalsContact O-CG 3.26Å; V45-L49 WeakPolarHBondContact O-CG 3.34Å; V45-L49 PolarHBondContact O-N 3.46Å; V45-P69 VanDerWaalsContact CG1-O 3.31Å; V45-P69 WeakPolarHBondContact CG1-O 3.33Å; V45-F74 HydrophobicContact CG2-CB 4.26Å; V45-F74 HydrophobicContact CG2-CD2 4.37Å; V45-T77 HydrophobicContact CG1-CG2 4.3Å; V45-T77 WeakPolarHBondContact CG2-OG1 3.32Å
46R93.2Very high91.9Very high112 Ų11252.2 Ų52.242%0.42326%0.259SS..Hα-helixtrans-58.2-39.6175.8-76.8-174.1-53.4-907.7112.4D40 A42 A43 R50D40-R46 IonicContact OD1-NH2 3.94Å; A42-R46 VanDerWaalsContact CB-NH1 3.34Å; A42-R46 WeakPolarHBondContact O-CB 3.42Å; A42-R46 VanDerWaalsContact O-CG 3.23Å; A42-R46 WeakPolarHBondContact O-CG 3.49Å; A42-R46 PolarHBondContact O-N 2.99Å; A42-R46 PolarHBondContact O-NH1 2.81Å; A43-R46 PolarHBondContact O-N 3.11Å; A43-R46 VanDerWaalsContact O-N 3.17Å; R46-R50 WeakPolarHBondContact O-CB 3.27Å; R46-R50 PolarHBondContact O-N 3.44Å
47L92.9Very high92.2Very high2 Ų255.6 Ų55.61%0.0128%0.275CS..Hα-helixtrans-65.6-46.8178.1-177.861.4000111.4M1 L4 A5 F31 F32 L39 A43 R44 V45 R50 K51M1-L47 HydrophobicContact CE-CB 3.89Å; L4-L47 HydrophobicContact CB-CD2 4.23Å; A5-L47 HydrophobicContact CB-CD1 3.81Å; F31-L47 HydrophobicContact CE1-CD2 4.18Å; F32-L47 HydrophobicContact CE1-CB 4.42Å; F32-L47 HydrophobicContact CE1-CD2 4.02Å; F32-L47 HydrophobicContact CE1-CG 4.13Å; L39-L47 HydrophobicContact CD1-CD2 4.4Å; A43-L47 WeakPolarHBondContact O-CB 3.41Å; A43-L47 PolarHBondContact O-N 3.47Å; R44-L47 PolarHBondContact O-N 3.41Å; V45-L47 VanDerWaalsContact C-N 3.27Å; V45-L47 PolarHBondContact O-N 3.14Å; L47-R50 PolarHBondContact O-N 3.29Å; L47-K51 PolarHBondContact O-N 3.21Å
48L93.9Very high92.5Very high0 Ų059.1 Ų59.10%028%0.279CS..Hα-helixtrans-60.1-49.8176.9178.560.3000111.4F21 W24 F25 F32 R44 V45 R50 K51 L52 F74 T77 V78 L81F21-L48 HydrophobicContact CE2-CD1 4.17Å; F21-L48 HydrophobicContact CZ-CD1 4.22Å; F21-L48 HydrophobicContact CZ-CD2 4.37Å; W24-L48 HydrophobicContact CH2-CD1 3.87Å; W24-L48 HydrophobicContact CZ3-CD1 3.68Å; F25-L48 HydrophobicContact CD2-CD1 4.44Å; F32-L48 HydrophobicContact CE1-CB 4.18Å; F32-L48 HydrophobicContact CE2-CD1 4.23Å; F32-L48 HydrophobicContact CZ-CB 4.11Å; F32-L48 HydrophobicContact CZ-CD1 3.96Å; R44-L48 WeakPolarHBondContact O-CB 3.49Å; R44-L48 PolarHBondContact O-N 2.99Å; V45-L48 PolarHBondContact O-N 3.29Å; L48-R50 VanDerWaalsContact C-N 3.29Å; L48-R50 PolarHBondContact O-N 3.21Å; L48-K51 WeakPolarHBondContact O-CA 3.47Å; L48-K51 PolarHBondContact O-N 3.3Å; L48-L52 PolarHBondContact O-N 2.97Å; L48-F74 HydrophobicContact CB-CE2 4.35Å; L48-F74 HydrophobicContact CD2-CE2 4.01Å; L48-T77 HydrophobicContact CD2-CG2 3.9Å; L48-V78 HydrophobicContact CD2-CG2 4.07Å; L48-L81 HydrophobicContact CD2-CD1 3.81Å; L48-L81 HydrophobicContact CG-CD1 4.24Å
49L93.3Very high92.8Very high14 Ų1454.9 Ų54.97%0.07326%0.257CS..Hα-helixtrans-63.5-33.4-179.4-69.1-176.8000113V45 K51 L52 Y60 P69V45-L49 HydrophobicContact CG1-CD1 3.73Å; V45-L49 HydrophobicContact CG1-CG 4.06Å; V45-L49 WeakPolarHBondContact O-CB 3.47Å; V45-L49 VanDerWaalsContact O-CG 3.26Å; V45-L49 WeakPolarHBondContact O-CG 3.34Å; V45-L49 PolarHBondContact O-N 3.46Å; L49-K51 PolarHBondContact O-N 2.95Å; L49-L52 HydrophobicContact CD2-CD1 3.61Å; L49-L52 PolarHBondContact O-N 3.47Å; L49-Y60 HydrophobicContact CD1-CD1 4.36Å; L49-Y60 HydrophobicContact CD1-CE1 3.98Å; L49-Y60 HydrophobicContact CD2-CD1 3.56Å; L49-Y60 HydrophobicContact CD2-CE1 3.7Å; L49-Y60 HydrophobicContact CD2-CG 4.26Å; L49-Y60 HydrophobicContact CG-CE1 4.45Å; L49-P69 HydrophobicContact CD1-CB 3.59Å; L49-P69 HydrophobicContact CD1-CG 4.19Å
50R92.9Very high93Very high119 Ų11952.7 Ų52.745%0.44925%0.246SC..Hα-helixtrans-65.3-18.3174-171.5157.576.4147.1-3.8113M1 D2 A5 R46 L47 L48M1-R50 PolarHBondContact O-NH2 3.18Å; D2-R50 IonicContact OD1-CZ 3.75Å; D2-R50 IonicContact OD1-NH1 3.18Å; D2-R50 PolarHBondContact OD1-NH1 3.41Å; D2-R50 IonicContact OD1-NH2 2.75Å; D2-R50 PolarHBondContact OD1-NH2 2.92Å; A5-R50 VanDerWaalsContact CB-NH2 3.25Å; R46-R50 WeakPolarHBondContact O-CB 3.27Å; R46-R50 PolarHBondContact O-N 3.44Å; L47-R50 PolarHBondContact O-N 3.29Å; L48-R50 VanDerWaalsContact C-N 3.29Å; L48-R50 PolarHBondContact O-N 3.21Å
51K93.7Very high93.1Very high25 Ų2549.4 Ų49.411%0.10923%0.232CC..THydrogen-bonded Turntrans-100.33177.9-66.7-70.3165.5174.10114A5 I8 E10 F11 W24 L47 L48 L49A5-K51 WeakPolarHBondContact O-CE 3.31Å; A5-K51 PolarHBondContact O-NZ 3.4Å; I8-K51 HydrophobicContact CB-CD 3.95Å; I8-K51 HydrophobicContact CB-CG 4.01Å; I8-K51 HydrophobicContact CG2-CB 4.09Å; I8-K51 HydrophobicContact CG2-CD 3.99Å; I8-K51 HydrophobicContact CG2-CG 3.83Å; I8-K51 WeakPolarHBondContact O-CD 3.5Å; I8-K51 WeakPolarHBondContact O-CE 3.4Å; I8-K51 PolarHBondContact O-NZ 3.19Å; E10-K51 CarbonylContact C-O 3.51Å; E10-K51 VanDerWaalsContact CA-O 3.3Å; E10-K51 WeakPolarHBondContact CA-O 3.43Å; E10-K51 HydrophobicContact CG-CD 4.48Å; F11-K51 PolarHBondContact N-O 2.87Å; W24-K51 HydrophobicContact CH2-CB 4.19Å; W24-K51 HydrophobicContact CZ2-CB 4.12Å; L47-K51 PolarHBondContact O-N 3.21Å; L48-K51 WeakPolarHBondContact O-CA 3.47Å; L48-K51 PolarHBondContact O-N 3.3Å; L49-K51 PolarHBondContact O-N 2.95Å
52L94.2Very high93.2Very high12 Ų1250.2 Ų50.26%0.06324%0.236CC..BIsolated β-bridgetrans-90.2138.8170.1-54.8-175.6000109.6F11 F21 L48 L49 V56 H57 L81F11-L52 HydrophobicContact CB-CD2 4.09Å; F11-L52 HydrophobicContact CD1-CD2 3.94Å; F11-L52 HydrophobicContact CG-CD2 4.45Å; F21-L52 HydrophobicContact CE2-CD2 4.19Å; L48-L52 PolarHBondContact O-N 2.97Å; L49-L52 HydrophobicContact CD2-CD1 3.61Å; L49-L52 PolarHBondContact O-N 3.47Å; L52-V56 HydrophobicContact CB-CB 4.25Å; L52-V56 HydrophobicContact CB-CG1 4.22Å; L52-V56 HydrophobicContact CD1-CG1 4.1Å; L52-V56 HydrophobicContact CD2-CG1 4.36Å; L52-V56 HydrophobicContact CG-CG1 4.46Å; L52-H57 HydrophobicContact CB-CB 4.36Å; L52-L81 HydrophobicContact CD1-CD1 3.93Å; L52-L81 HydrophobicContact CD1-CD2 3.81Å
53W93.8Very high93.3Very high120 Ų12054.8 Ų54.846%0.45525%0.25SC..  trans-62.8155.2171-157.7-81000110.5E10 F11 D12 N55 V56 H57E10-W53 HydrophobicContact CB-CE3 4.39Å; E10-W53 WeakPolarHBondContact OE2-CZ3 3.31Å; F11-W53 WeakPolarHBondContact O-CB 3.41Å; F11-W53 PolarHBondContact O-N 3Å; D12-W53 HydrophobicContact CB-CB 3.94Å; D12-W53 HydrophobicContact CB-CD2 4.24Å; D12-W53 HydrophobicContact CB-CE3 4.24Å; D12-W53 HydrophobicContact CB-CG 4.15Å; W53-N55 VanDerWaalsContact C-N 3.27Å; W53-N55 VanDerWaalsContact CB-OD1 3.29Å; W53-N55 WeakPolarHBondContact CB-OD1 3.36Å; W53-N55 PolarHBondContact O-N 3.3Å; W53-N55 VanDerWaalsContact O-N 3.17Å; W53-V56 PolarHBondContact O-N 2.93Å; W53-H57 PolarHBondContact O-N 3.36Å
54T92.2Very high93.4Very high110 Ų11055.1 Ų55.168%0.67525%0.251SS*.Hα-helixtrans-56.9-37-170.154.20000113.9K58T54-K58 VanDerWaalsContact O-CB 3.31Å; T54-K58 WeakPolarHBondContact O-CB 3.42Å; T54-K58 PolarHBondContact O-N 3.37Å
55N90.8Very high93.3Very high59 Ų5959.4 Ų59.432%0.31628%0.275SS..Hα-helixtrans-65.5-42.3175.660.5-23.1000112.6D12 W53 K59D12-N55 PolarHBondContact OD1-ND2 3.12Å; D12-N55 PolarHBondContact OD1-OD1 3.45Å; W53-N55 VanDerWaalsContact C-N 3.27Å; W53-N55 VanDerWaalsContact CB-OD1 3.29Å; W53-N55 WeakPolarHBondContact CB-OD1 3.36Å; W53-N55 PolarHBondContact O-N 3.3Å; W53-N55 VanDerWaalsContact O-N 3.17Å; N55-K59 WeakPolarHBondContact O-CG 3.08Å; N55-K59 PolarHBondContact O-N 2.91Å
56V93.4Very high93.2Very high1 Ų165.6 Ų65.61%0.00632%0.316CS..Hα-helixtrans-69.7-47.4178-177.20000109.5F11 L52 W53 K58 K59 Y60 F85F11-V56 HydrophobicContact CD1-CG1 4.13Å; F11-V56 HydrophobicContact CD1-CG2 4.35Å; F11-V56 HydrophobicContact CE1-CG1 4.17Å; F11-V56 HydrophobicContact CE1-CG2 4.38Å; L52-V56 HydrophobicContact CB-CB 4.25Å; L52-V56 HydrophobicContact CB-CG1 4.22Å; L52-V56 HydrophobicContact CD1-CG1 4.1Å; L52-V56 HydrophobicContact CD2-CG1 4.36Å; L52-V56 HydrophobicContact CG-CG1 4.46Å; W53-V56 PolarHBondContact O-N 2.93Å; V56-K58 PolarHBondContact O-N 2.88Å; V56-K59 PolarHBondContact O-N 2.94Å; V56-Y60 PolarHBondContact O-N 3.19Å; V56-F85 HydrophobicContact CB-CZ 4.39Å; V56-F85 HydrophobicContact CG1-CD2 3.82Å; V56-F85 HydrophobicContact CG1-CE1 4.29Å; V56-F85 HydrophobicContact CG1-CE2 3.42Å; V56-F85 VanDerWaalsContact CG1-CE2 3.42Å; V56-F85 HydrophobicContact CG1-CG 4.41Å; V56-F85 HydrophobicContact CG1-CZ 3.67Å
57H93.6Very high93.2Very high71 Ų7164.7 Ų64.733%0.32931%0.313SS..Hα-helixtrans-57-47177.1-178.6-82.2000111.8L52 W53 Y60 A61L52-H57 HydrophobicContact CB-CB 4.36Å; W53-H57 PolarHBondContact O-N 3.36Å; H57-Y60 PolarHBondContact O-N 2.82Å; H57-A61 WeakPolarHBondContact O-CB 3.42Å; H57-A61 PolarHBondContact O-N 3.38Å
58K93.6Very high93Very high135 Ų13569.4 Ų69.459%0.58733%0.334SS*.Hα-helixtrans-59.3-48.9178-176.8177.3178179.70111.8T54 V56 Y60 A61 D62T54-K58 VanDerWaalsContact O-CB 3.31Å; T54-K58 WeakPolarHBondContact O-CB 3.42Å; T54-K58 PolarHBondContact O-N 3.37Å; V56-K58 PolarHBondContact O-N 2.88Å; K58-Y60 VanDerWaalsContact C-N 3.31Å; K58-Y60 PolarHBondContact O-N 3.38Å; K58-A61 PolarHBondContact O-N 3.45Å; K58-D62 WeakPolarHBondContact O-CB 3.49Å; K58-D62 PolarHBondContact O-N 3.11Å
59K93Very high92.7Very high104 Ų10470.6 Ų70.645%0.45234%0.342SS..Hα-helixtrans-59.4-41.3178.2-76.1175.6-178.5177.80112.4N55 V56 Y63 M84 F85N55-K59 WeakPolarHBondContact O-CG 3.08Å; N55-K59 PolarHBondContact O-N 2.91Å; V56-K59 PolarHBondContact O-N 2.94Å; K59-Y63 WeakPolarHBondContact O-CB 3.34Å; K59-Y63 PolarHBondContact O-N 2.96Å; K59-M84 HydrophobicContact CB-CE 3.98Å; K59-F85 HydrophobicContact CB-CZ 3.87Å; K59-F85 HydrophobicContact CD-CE1 3.91Å; K59-F85 HydrophobicContact CD-CZ 3.98Å
60Y94.5Very high92.4Very high0 Ų077.8 Ų77.80%037%0.368CS..Hα-helixtrans-63.4-48.8175.4172.7-97.9000111.3L49 V56 H57 K58 D62 Y63 I64 P69 T77 I80 L81L49-Y60 HydrophobicContact CD1-CD1 4.36Å; L49-Y60 HydrophobicContact CD1-CE1 3.98Å; L49-Y60 HydrophobicContact CD2-CD1 3.56Å; L49-Y60 HydrophobicContact CD2-CE1 3.7Å; L49-Y60 HydrophobicContact CD2-CG 4.26Å; L49-Y60 HydrophobicContact CG-CE1 4.45Å; V56-Y60 PolarHBondContact O-N 3.19Å; H57-Y60 PolarHBondContact O-N 2.82Å; K58-Y60 VanDerWaalsContact C-N 3.31Å; K58-Y60 PolarHBondContact O-N 3.38Å; Y60-D62 VanDerWaalsContact C-N 3.31Å; Y60-D62 PolarHBondContact O-N 3.3Å; Y60-Y63 WeakPolarHBondContact O-CB 3.37Å; Y60-Y63 PolarHBondContact O-N 3Å; Y60-Y63 VanDerWaalsContact O-N 3.09Å; Y60-I64 HydrophobicContact CD1-CD1 4.49Å; Y60-I64 HydrophobicContact CD2-CG2 4.3Å; Y60-I64 HydrophobicContact CE1-CD1 3.87Å; Y60-I64 HydrophobicContact CE1-CG2 4.19Å; Y60-I64 HydrophobicContact CE2-CG2 3.75Å; Y60-I64 PolarHBondContact O-N 2.92Å; Y60-I64 VanDerWaalsContact O-N 3.13Å; Y60-P69 HydrophobicContact CE1-CB 4.47Å; Y60-T77 HydrophobicContact CE1-CG2 4.49Å; Y60-T77 HydrophobicContact CE2-CG2 3.95Å; Y60-T77 WeakPolarHBondContact OH-CG2 3.44Å; Y60-T77 PolarHBondContact OH-OG1 3.38Å; Y60-I80 HydrophobicContact CD2-CG2 3.81Å; Y60-I80 HydrophobicContact CE2-CB 4.14Å; Y60-I80 HydrophobicContact CE2-CD1 4.46Å; Y60-I80 HydrophobicContact CE2-CG2 3.74Å; Y60-L81 HydrophobicContact CD2-CD2 3.68Å; Y60-L81 HydrophobicContact CD2-CG 3.99Å; Y60-L81 HydrophobicContact CE2-CG 4.34Å; Y60-L81 HydrophobicContact CG-CD2 4.05Å
61A93.6Very high92.3Very high27 Ų2777 Ų7722%0.22337%0.373CS..Hα-helixtrans-59-42178.800000112H57 K58 Y63 I64 L65H57-A61 WeakPolarHBondContact O-CB 3.42Å; H57-A61 PolarHBondContact O-N 3.38Å; K58-A61 PolarHBondContact O-N 3.45Å; A61-Y63 VanDerWaalsContact C-N 3.34Å; A61-I64 VanDerWaalsContact O-CG1 3.27Å; A61-I64 WeakPolarHBondContact O-CG1 3.46Å; A61-L65 WeakPolarHBondContact O-CG 3.38Å
62D94.3Very high92.2Very high89 Ų8976 Ų7648%0.47637%0.369SS..Hα-helixtrans-64.9-37.5175.7-65.4-21.1000111.7K58 Y60K58-D62 WeakPolarHBondContact O-CB 3.49Å; K58-D62 PolarHBondContact O-N 3.11Å; Y60-D62 VanDerWaalsContact C-N 3.31Å; Y60-D62 PolarHBondContact O-N 3.3Å
63Y93.4Very high92.2Very high116 Ų11677.8 Ų77.846%0.45538%0.382SS..Hα-helixtrans-69.9-34.4-177.9-178.3-89.3000113.5K59 Y60 A61 L65 I80 M84K59-Y63 WeakPolarHBondContact O-CB 3.34Å; K59-Y63 PolarHBondContact O-N 2.96Å; Y60-Y63 WeakPolarHBondContact O-CB 3.37Å; Y60-Y63 PolarHBondContact O-N 3Å; Y60-Y63 VanDerWaalsContact O-N 3.09Å; A61-Y63 VanDerWaalsContact C-N 3.34Å; Y63-L65 VanDerWaalsContact C-N 3.32Å; Y63-I80 HydrophobicContact CD1-CG2 3.52Å; Y63-I80 HydrophobicContact CE1-CD1 4.45Å; Y63-I80 HydrophobicContact CE1-CG1 4.19Å; Y63-I80 HydrophobicContact CE1-CG2 3.65Å; Y63-I80 HydrophobicContact CG-CG2 4.45Å; Y63-M84 HydrophobicContact CD1-SD 4.02Å; Y63-M84 HydrophobicContact CD2-CE 4.46Å; Y63-M84 HydrophobicContact CD2-SD 3.96Å; Y63-M84 HydrophobicContact CG-CE 4.35Å; Y63-M84 HydrophobicContact CG-SD 3.64Å
64I93.6Very high92.2Very high11 Ų1172.1 Ų72.16%0.05636%0.36CS..THydrogen-bonded Turntrans-83.3-7.4-17862.9168.6000113.5Y60 A61 R67 P69 V72 I80Y60-I64 HydrophobicContact CD1-CD1 4.49Å; Y60-I64 HydrophobicContact CD2-CG2 4.3Å; Y60-I64 HydrophobicContact CE1-CD1 3.87Å; Y60-I64 HydrophobicContact CE1-CG2 4.19Å; Y60-I64 HydrophobicContact CE2-CG2 3.75Å; Y60-I64 PolarHBondContact O-N 2.92Å; Y60-I64 VanDerWaalsContact O-N 3.13Å; A61-I64 VanDerWaalsContact O-CG1 3.27Å; A61-I64 WeakPolarHBondContact O-CG1 3.46Å; I64-R67 WeakPolarHBondContact O-CA 3.31Å; I64-R67 VanDerWaalsContact O-CB 3.29Å; I64-R67 WeakPolarHBondContact O-CB 3.4Å; I64-R67 PolarHBondContact O-N 3.25Å; I64-P69 HydrophobicContact CD1-CB 4.18Å; I64-P69 VanDerWaalsContact CD1-CD 3.48Å; I64-P69 HydrophobicContact CD1-CG 3.62Å; I64-V72 HydrophobicContact CD1-CG2 4.4Å; I64-I80 HydrophobicContact CG2-CD1 4.14Å
65L91.6Very high92.3Very high119 Ų11971.8 Ų71.862%0.62335%0.354SS*.THydrogen-bonded Turntrans-55.3137.7179.4-70.2176.2000110.8A61 Y63A61-L65 WeakPolarHBondContact O-CG 3.38Å; Y63-L65 VanDerWaalsContact C-N 3.32Å
66P92.2Very high92.5Very high132 Ų13272.1 Ų72.186%0.85735%0.354SS*.THydrogen-bonded Turncis-88.471035.7-37000115.7
67R92.3Very high92.6Very high93 Ų9372.1 Ų72.135%0.35135%0.354SS..SBendtrans-73.6153.5-178.9-61.9168.466.2-172.42111.4I64 D71 E76I64-R67 WeakPolarHBondContact O-CA 3.31Å; I64-R67 VanDerWaalsContact O-CB 3.29Å; I64-R67 WeakPolarHBondContact O-CB 3.4Å; I64-R67 PolarHBondContact O-N 3.25Å; R67-D71 PolarHBondContact NH2-O 3.43Å; R67-E76 IonicContact CZ-OE1 3.71Å; R67-E76 IonicContact CZ-OE2 3.51Å; R67-E76 VanDerWaalsContact NH1-CD 3.33Å; R67-E76 IonicContact NH1-OE1 2.72Å; R67-E76 PolarHBondContact NH1-OE1 3.01Å; R67-E76 IonicContact NH1-OE2 3.26Å; R67-E76 PolarHBondContact NH1-OE2 3.14Å; R67-E76 IonicContact NH2-OE1 3.77Å; R67-E76 IonicContact NH2-OE2 2.81Å; R67-E76 PolarHBondContact NH2-OE2 2.95Å
68H89Confident92.7Very high100 Ų10069.6 Ų69.646%0.46334%0.343SS..  trans-89.8149.8170.2-165.5-80.6000110R70 D71H68-R70 WeakPolarHBondContact ND1-CG 3.17Å; H68-R70 PolarHBondContact ND1-N 2.76Å; H68-R70 PolarHBondContact O-N 3.43Å; H68-D71 VanDerWaalsContact CB-OD2 3.27Å; H68-D71 WeakPolarHBondContact CB-OD2 3.39Å; H68-D71 PolarHBondContact N-OD2 3.22Å; H68-D71 VanDerWaalsContact N-OD2 3.12Å; H68-D71 PolarHBondContact O-N 2.91Å
69P87.8Confident92.7Very high25 Ų2568.6 Ų68.616%0.16234%0.344CS..THydrogen-bonded Turntrans-54.6-13.1173.2-27.731.6000116.3V45 L49 Y60 I64V45-P69 VanDerWaalsContact CG1-O 3.31Å; V45-P69 WeakPolarHBondContact CG1-O 3.33Å; L49-P69 HydrophobicContact CD1-CB 3.59Å; L49-P69 HydrophobicContact CD1-CG 4.19Å; Y60-P69 HydrophobicContact CE1-CB 4.47Å; I64-P69 HydrophobicContact CD1-CB 4.18Å; I64-P69 VanDerWaalsContact CD1-CD 3.48Å; I64-P69 HydrophobicContact CD1-CG 3.62Å
70R87.3Confident92.7Very high165 Ų16564.6 Ų64.662%0.62333%0.328SS*.THydrogen-bonded Turntrans-84.3-17.7177.7-69.1176.7-172.1-173.24.1112.1H68H68-R70 WeakPolarHBondContact ND1-CG 3.17Å; H68-R70 PolarHBondContact ND1-N 2.76Å; H68-R70 PolarHBondContact O-N 3.43Å
71D90.3Very high92.7Very high103 Ų10364.6 Ų64.655%0.55133%0.328SS*.SBendtrans-98.36.3-176.2-46.7-38.7000111.9R67 H68R67-D71 PolarHBondContact NH2-O 3.43Å; H68-D71 VanDerWaalsContact CB-OD2 3.27Å; H68-D71 WeakPolarHBondContact CB-OD2 3.39Å; H68-D71 PolarHBondContact N-OD2 3.22Å; H68-D71 VanDerWaalsContact N-OD2 3.12Å; H68-D71 PolarHBondContact O-N 2.91Å
72V92.4Very high92.6Very high3 Ų365.2 Ų65.22%0.01833%0.329CS..SBendtrans-111.7128.4-179.1-171.40000107.3I64 E76 T77 I80I64-V72 HydrophobicContact CD1-CG2 4.4Å; V72-E76 HydrophobicContact CG1-CB 3.87Å; V72-E76 HydrophobicContact CG1-CG 3.78Å; V72-T77 WeakPolarHBondContact CG1-OG1 3.41Å; V72-I80 HydrophobicContact CG1-CD1 4.4Å
73C94.3Very high92.4Very high50 Ų5068.1 Ų68.134%0.33834%0.337SS..  trans-70.8164.5176.768.30000111D41 D75 E76 T77D41-C73 WeakPolarHBondContact OD2-CB 3.05Å; C73-D75 PolarHBondContact O-N 3.11Å; C73-E76 PolarHBondContact O-N 3.42Å; C73-E76 WeakPolarHBondContact SG-CB 3.29Å; C73-T77 PolarHBondContact O-N 3.5Å; C73-T77 PolarHBondContact O-OG1 3.24Å
74F94Very high92.1Very high2 Ų264.6 Ų64.61%0.00933%0.326CS..Hα-helixtrans-61.7-46.7-176.8179.7-102000112.2F25 F32 R44 V45 L48 E76 T77 V78F25-F74 AromaticContact CE2-CZ 3.85Å; F25-F74 HydrophobicContact CE2-CZ 3.85Å; F25-F74 HydrophobicContact CZ-CE1 4.06Å; F25-F74 AromaticContact CZ-CZ 3.84Å; F25-F74 HydrophobicContact CZ-CZ 3.84Å; F32-F74 HydrophobicContact CB-CE1 4.26Å; F32-F74 HydrophobicContact CB-CZ 3.71Å; F32-F74 AromaticContact CD1-CE2 3.72Å; F32-F74 HydrophobicContact CD1-CE2 3.72Å; F32-F74 AromaticContact CD1-CZ 3.67Å; F32-F74 HydrophobicContact CD1-CZ 3.67Å; F32-F74 HydrophobicContact CD2-CZ 4.36Å; F32-F74 HydrophobicContact CE1-CE2 4.08Å; F32-F74 HydrophobicContact CE1-CZ 4.37Å; F32-F74 HydrophobicContact CG-CE2 4.2Å; F32-F74 AromaticContact CG-CZ 3.67Å; F32-F74 HydrophobicContact CG-CZ 3.67Å; R44-F74 HydrophobicContact CB-CB 4.21Å; R44-F74 HydrophobicContact CB-CD2 3.48Å; R44-F74 VanDerWaalsContact CB-CD2 3.48Å; R44-F74 HydrophobicContact CB-CE2 4.03Å; R44-F74 HydrophobicContact CB-CG 3.96Å; R44-F74 VanDerWaalsContact NH2-CE1 3.32Å; V45-F74 HydrophobicContact CG2-CB 4.26Å; V45-F74 HydrophobicContact CG2-CD2 4.37Å; L48-F74 HydrophobicContact CB-CE2 4.35Å; L48-F74 HydrophobicContact CD2-CE2 4.01Å; F74-E76 PolarHBondContact O-N 2.67Å; F74-T77 WeakPolarHBondContact O-CB 3.22Å; F74-T77 PolarHBondContact O-N 3.33Å; F74-T77 VanDerWaalsContact O-N 3.14Å; F74-V78 HydrophobicContact CD1-CG2 4.24Å; F74-V78 HydrophobicContact CE1-CG2 3.83Å; F74-V78 HydrophobicContact CE2-CG2 4.17Å; F74-V78 HydrophobicContact CZ-CG2 3.8Å; F74-V78 WeakPolarHBondContact O-CG2 3.49Å; F74-V78 PolarHBondContact O-N 2.75Å
75D93.9Very high91.9Very high102 Ų10264.3 Ų64.355%0.54532%0.324SS..Hα-helixtrans-64.8-38.7-178.8-63.1-33.8000112.4C73 T77 V78 N79C73-D75 PolarHBondContact O-N 3.11Å; D75-T77 VanDerWaalsContact C-N 3.34Å; D75-V78 PolarHBondContact O-N 2.96Å; D75-N79 WeakPolarHBondContact O-CB 3.24Å; D75-N79 PolarHBondContact O-N 3.1Å
76E95.5Very high91.6Very high67 Ų6758.8 Ų58.831%0.31330%0.296SS..Hα-helixtrans-64-41.5174.2-175.5179.2-167.600110.9R67 V72 C73 F74 N79 I80R67-E76 IonicContact CZ-OE1 3.71Å; R67-E76 IonicContact CZ-OE2 3.51Å; R67-E76 VanDerWaalsContact NH1-CD 3.33Å; R67-E76 IonicContact NH1-OE1 2.72Å; R67-E76 PolarHBondContact NH1-OE1 3.01Å; R67-E76 IonicContact NH1-OE2 3.26Å; R67-E76 PolarHBondContact NH1-OE2 3.14Å; R67-E76 IonicContact NH2-OE1 3.77Å; R67-E76 IonicContact NH2-OE2 2.81Å; R67-E76 PolarHBondContact NH2-OE2 2.95Å; V72-E76 HydrophobicContact CG1-CB 3.87Å; V72-E76 HydrophobicContact CG1-CG 3.78Å; C73-E76 PolarHBondContact O-N 3.42Å; C73-E76 WeakPolarHBondContact SG-CB 3.29Å; F74-E76 PolarHBondContact O-N 2.67Å; E76-N79 PolarHBondContact O-N 3.23Å; E76-I80 HydrophobicContact CG-CD1 3.91Å; E76-I80 HydrophobicContact CG-CG1 4.46Å; E76-I80 WeakPolarHBondContact O-CB 3.35Å; E76-I80 VanDerWaalsContact O-CG1 3.24Å; E76-I80 WeakPolarHBondContact O-CG1 3.34Å; E76-I80 PolarHBondContact O-N 3.12Å
77T95.2Very high90.7Very high0 Ų057.4 Ų57.40%028%0.278CS..Hα-helixtrans-61-47.8176.4-590000111.5V45 L48 Y60 V72 C73 F74 D75 N79 I80 L81V45-T77 HydrophobicContact CG1-CG2 4.3Å; V45-T77 WeakPolarHBondContact CG2-OG1 3.32Å; L48-T77 HydrophobicContact CD2-CG2 3.9Å; Y60-T77 HydrophobicContact CE1-CG2 4.49Å; Y60-T77 HydrophobicContact CE2-CG2 3.95Å; Y60-T77 WeakPolarHBondContact OH-CG2 3.44Å; Y60-T77 PolarHBondContact OH-OG1 3.38Å; V72-T77 WeakPolarHBondContact CG1-OG1 3.41Å; C73-T77 PolarHBondContact O-N 3.5Å; C73-T77 PolarHBondContact O-OG1 3.24Å; F74-T77 WeakPolarHBondContact O-CB 3.22Å; F74-T77 PolarHBondContact O-N 3.33Å; F74-T77 VanDerWaalsContact O-N 3.14Å; D75-T77 VanDerWaalsContact C-N 3.34Å; T77-N79 VanDerWaalsContact C-N 3.32Å; T77-N79 PolarHBondContact O-N 3.39Å; T77-I80 PolarHBondContact O-N 2.64Å; T77-L81 HydrophobicContact CG2-CD1 3.87Å; T77-L81 HydrophobicContact CG2-CG 4.48Å; T77-L81 WeakPolarHBondContact O-CB 3.46Å; T77-L81 WeakPolarHBondContact O-CG 3.44Å; T77-L81 PolarHBondContact O-N 2.9Å
78V94.9Very high89.5Confident18 Ų1856.3 Ų56.311%0.10928%0.276CS..Hα-helixtrans-61.2-42.1177.6172.30000110.7F21 F25 L48 F74 D75 L81 T82F21-V78 HydrophobicContact CE1-CG1 4.18Å; F25-V78 HydrophobicContact CD1-CG1 4.16Å; F25-V78 HydrophobicContact CD2-CG2 4.43Å; F25-V78 HydrophobicContact CE1-CG1 3.86Å; F25-V78 HydrophobicContact CE1-CG2 4.36Å; F25-V78 HydrophobicContact CE2-CG1 4.36Å; F25-V78 HydrophobicContact CE2-CG2 3.66Å; F25-V78 HydrophobicContact CZ-CB 4.49Å; F25-V78 HydrophobicContact CZ-CG1 3.97Å; F25-V78 HydrophobicContact CZ-CG2 3.62Å; L48-V78 HydrophobicContact CD2-CG2 4.07Å; F74-V78 HydrophobicContact CD1-CG2 4.24Å; F74-V78 HydrophobicContact CE1-CG2 3.83Å; F74-V78 HydrophobicContact CE2-CG2 4.17Å; F74-V78 HydrophobicContact CZ-CG2 3.8Å; F74-V78 WeakPolarHBondContact O-CG2 3.49Å; F74-V78 PolarHBondContact O-N 2.75Å; D75-V78 PolarHBondContact O-N 2.96Å; V78-L81 PolarHBondContact O-N 2.9Å; V78-T82 VanDerWaalsContact O-CB 3.28Å; V78-T82 WeakPolarHBondContact O-CB 3.46Å; V78-T82 PolarHBondContact O-N 3.21Å; V78-T82 PolarHBondContact O-OG1 3.07Å
79N93.9Very high88.2Confident114 Ų11461.9 Ų61.961%0.6129%0.294SS*.Hα-helixtrans-64.6-43.5176.6-87.1-22.9000112.8D75 E76 T77 T82 K83D75-N79 WeakPolarHBondContact O-CB 3.24Å; D75-N79 PolarHBondContact O-N 3.1Å; E76-N79 PolarHBondContact O-N 3.23Å; T77-N79 VanDerWaalsContact C-N 3.32Å; T77-N79 PolarHBondContact O-N 3.39Å; N79-T82 PolarHBondContact O-N 3.31Å; N79-K83 WeakPolarHBondContact O-CB 3.49Å; N79-K83 PolarHBondContact O-N 3.1Å
80I93.5Very high87.1Confident20 Ų2063.3 Ų63.310%0.10330%0.304CS..Hα-helixtrans-61.2-49.1176.5-70.6167.2000110Y60 Y63 I64 V72 E76 T77 T82 K83 M84Y60-I80 HydrophobicContact CD2-CG2 3.81Å; Y60-I80 HydrophobicContact CE2-CB 4.14Å; Y60-I80 HydrophobicContact CE2-CD1 4.46Å; Y60-I80 HydrophobicContact CE2-CG2 3.74Å; Y63-I80 HydrophobicContact CD1-CG2 3.52Å; Y63-I80 HydrophobicContact CE1-CD1 4.45Å; Y63-I80 HydrophobicContact CE1-CG1 4.19Å; Y63-I80 HydrophobicContact CE1-CG2 3.65Å; Y63-I80 HydrophobicContact CG-CG2 4.45Å; I64-I80 HydrophobicContact CG2-CD1 4.14Å; V72-I80 HydrophobicContact CG1-CD1 4.4Å; E76-I80 HydrophobicContact CG-CD1 3.91Å; E76-I80 HydrophobicContact CG-CG1 4.46Å; E76-I80 WeakPolarHBondContact O-CB 3.35Å; E76-I80 VanDerWaalsContact O-CG1 3.24Å; E76-I80 WeakPolarHBondContact O-CG1 3.34Å; E76-I80 PolarHBondContact O-N 3.12Å; T77-I80 PolarHBondContact O-N 2.64Å; I80-T82 VanDerWaalsContact C-N 3.34Å; I80-T82 PolarHBondContact O-N 3.01Å; I80-K83 PolarHBondContact O-N 3.17Å; I80-M84 HydrophobicContact CG2-CG 4.4Å; I80-M84 HydrophobicContact CG2-SD 3.74Å; I80-M84 WeakPolarHBondContact O-CB 3.24Å; I80-M84 VanDerWaalsContact O-CG 3.31Å; I80-M84 WeakPolarHBondContact O-CG 3.39Å; I80-M84 PolarHBondContact O-N 3.1Å
81L93.9Very high86Confident0 Ų060.5 Ų60.50%030%0.301CS..Hα-helixtrans-63.4-39.9179.3-70.5169.8000111.8F21 L48 L52 Y60 T77 V78 K83 M84 F85F21-L81 HydrophobicContact CD1-CB 3.68Å; F21-L81 HydrophobicContact CD2-CB 4.03Å; F21-L81 HydrophobicContact CD2-CD1 4.47Å; F21-L81 HydrophobicContact CE1-CB 3.5Å; F21-L81 HydrophobicContact CE1-CD1 4.34Å; F21-L81 HydrophobicContact CE2-CB 3.87Å; F21-L81 HydrophobicContact CE2-CD1 3.67Å; F21-L81 HydrophobicContact CE2-CG 4.33Å; F21-L81 HydrophobicContact CG-CB 3.94Å; F21-L81 HydrophobicContact CZ-CB 3.6Å; F21-L81 HydrophobicContact CZ-CD1 3.59Å; F21-L81 HydrophobicContact CZ-CG 4.25Å; L48-L81 HydrophobicContact CD2-CD1 3.81Å; L48-L81 HydrophobicContact CG-CD1 4.24Å; L52-L81 HydrophobicContact CD1-CD1 3.93Å; L52-L81 HydrophobicContact CD1-CD2 3.81Å; Y60-L81 HydrophobicContact CD2-CD2 3.68Å; Y60-L81 HydrophobicContact CD2-CG 3.99Å; Y60-L81 HydrophobicContact CE2-CG 4.34Å; Y60-L81 HydrophobicContact CG-CD2 4.05Å; T77-L81 HydrophobicContact CG2-CD1 3.87Å; T77-L81 HydrophobicContact CG2-CG 4.48Å; T77-L81 WeakPolarHBondContact O-CB 3.46Å; T77-L81 WeakPolarHBondContact O-CG 3.44Å; T77-L81 PolarHBondContact O-N 2.9Å; V78-L81 PolarHBondContact O-N 2.9Å; L81-K83 VanDerWaalsContact C-N 3.35Å; L81-K83 PolarHBondContact O-N 3.04Å; L81-M84 PolarHBondContact O-N 3.32Å; L81-F85 HydrophobicContact CD2-CD2 3.82Å; L81-F85 HydrophobicContact CD2-CE2 3.76Å; L81-F85 WeakPolarHBondContact O-CA 3.41Å; L81-F85 WeakPolarHBondContact O-CB 3.47Å; L81-F85 PolarHBondContact O-N 3.26Å
82T92.1Very high84.9Confident41 Ų4161.7 Ų61.725%0.25230%0.301SS..Hα-helixtrans-64.4-39.1174.7-58.20000111.5F21 E22 V78 N79 I80 G86F21-T82 WeakPolarHBondContact CD1-OG1 3.35Å; E22-T82 HydrophobicContact CB-CG2 4.39Å; V78-T82 VanDerWaalsContact O-CB 3.28Å; V78-T82 WeakPolarHBondContact O-CB 3.46Å; V78-T82 PolarHBondContact O-N 3.21Å; V78-T82 PolarHBondContact O-OG1 3.07Å; N79-T82 PolarHBondContact O-N 3.31Å; I80-T82 VanDerWaalsContact C-N 3.34Å; I80-T82 PolarHBondContact O-N 3.01Å; T82-G86 WeakPolarHBondContact O-CA 3.46Å; T82-G86 PolarHBondContact O-N 3.3Å
83K88.5Confident83.6Confident149 Ų14963.7 Ų63.765%0.64831%0.312SS*.Hα-helixtrans-67.3-40.5176.1-173.2-179.3179.3-173.40112.2N79 I80 L81 Q88N79-K83 WeakPolarHBondContact O-CB 3.49Å; N79-K83 PolarHBondContact O-N 3.1Å; I80-K83 PolarHBondContact O-N 3.17Å; L81-K83 VanDerWaalsContact C-N 3.35Å; L81-K83 PolarHBondContact O-N 3.04Å; K83-Q88 PolarHBondContact O-NE2 3.44Å
84M88.4Confident82.2Confident42 Ų4263 Ų6321%0.20731%0.309CS..Hα-helixtrans-77.1-41.1-177.7-70.1179.76500113K59 Y63 I80 L81 Q88K59-M84 HydrophobicContact CB-CE 3.98Å; Y63-M84 HydrophobicContact CD1-SD 4.02Å; Y63-M84 HydrophobicContact CD2-CE 4.46Å; Y63-M84 HydrophobicContact CD2-SD 3.96Å; Y63-M84 HydrophobicContact CG-CE 4.35Å; Y63-M84 HydrophobicContact CG-SD 3.64Å; I80-M84 HydrophobicContact CG2-CG 4.4Å; I80-M84 HydrophobicContact CG2-SD 3.74Å; I80-M84 WeakPolarHBondContact O-CB 3.24Å; I80-M84 VanDerWaalsContact O-CG 3.31Å; I80-M84 WeakPolarHBondContact O-CG 3.39Å; I80-M84 PolarHBondContact O-N 3.1Å; L81-M84 PolarHBondContact O-N 3.32Å; M84-Q88 PolarHBondContact O-NE2 3.46Å
85F89.6Confident81Confident5 Ų563.6 Ų63.62%0.02231%0.312CS..Hα-helixtrans-124.87.7-168-54-63.6000113.6F11 Y13 T20 F21 V56 K59 L81F11-F85 HydrophobicContact CE1-CB 4.22Å; F11-F85 HydrophobicContact CZ-CB 4.33Å; Y13-F85 AromaticContact CD1-CD1 3.43Å; Y13-F85 HydrophobicContact CD1-CD1 3.43Å; Y13-F85 VanDerWaalsContact CD1-CD1 3.43Å; Y13-F85 AromaticContact CD1-CE1 3.91Å; Y13-F85 HydrophobicContact CD1-CE1 3.91Å; Y13-F85 HydrophobicContact CD2-CB 3.84Å; Y13-F85 AromaticContact CD2-CD1 3.93Å; Y13-F85 HydrophobicContact CD2-CD1 3.93Å; Y13-F85 HydrophobicContact CD2-CG 4.33Å; Y13-F85 AromaticContact CE1-CD1 3.84Å; Y13-F85 HydrophobicContact CE1-CD1 3.84Å; Y13-F85 HydrophobicContact CE1-CE1 4.45Å; Y13-F85 HydrophobicContact CE2-CB 4.12Å; Y13-F85 HydrophobicContact CE2-CD1 4.33Å; Y13-F85 WeakPolarHBondContact CE2-O 3.21Å; Y13-F85 HydrophobicContact CG-CB 4.2Å; Y13-F85 AromaticContact CG-CD1 3.45Å; Y13-F85 HydrophobicContact CG-CD1 3.45Å; Y13-F85 VanDerWaalsContact CG-CD1 3.45Å; Y13-F85 HydrophobicContact CG-CE1 4.2Å; Y13-F85 HydrophobicContact CG-CG 4.19Å; T20-F85 WeakPolarHBondContact CA-O 3.47Å; F21-F85 HydrophobicContact CB-CB 3.72Å; F21-F85 PolarHBondContact N-O 2.7Å; V56-F85 HydrophobicContact CB-CZ 4.39Å; V56-F85 HydrophobicContact CG1-CD2 3.82Å; V56-F85 HydrophobicContact CG1-CE1 4.29Å; V56-F85 HydrophobicContact CG1-CE2 3.42Å; V56-F85 VanDerWaalsContact CG1-CE2 3.42Å; V56-F85 HydrophobicContact CG1-CG 4.41Å; V56-F85 HydrophobicContact CG1-CZ 3.67Å; K59-F85 HydrophobicContact CB-CZ 3.87Å; K59-F85 HydrophobicContact CD-CE1 3.91Å; K59-F85 HydrophobicContact CD-CZ 3.98Å; L81-F85 HydrophobicContact CD2-CD2 3.82Å; L81-F85 HydrophobicContact CD2-CE2 3.76Å; L81-F85 WeakPolarHBondContact O-CA 3.41Å; L81-F85 WeakPolarHBondContact O-CB 3.47Å; L81-F85 PolarHBondContact O-N 3.26Å
86G83.8Confident79.9Confident3 Ų364.1 Ų64.13%0.03131%0.307CS..SBendtrans-78.4-171.4172.200000112.7T82 Q88T82-G86 WeakPolarHBondContact O-CA 3.46Å; T82-G86 PolarHBondContact O-N 3.3Å; G86-Q88 PolarHBondContact O-N 3.48Å
87H74.7Confident78.5Confident104 Ų10464.4 Ų64.448%0.48131%0.305SS..  trans-66.6107.9-178.9-153.586.7000110.7T20 R89T20-H87 HydrophobicContact CG2-CB 4.32Å; H87-R89 PolarHBondContact O-N 2.96Å
88Q66.3Low77.1Confident69 Ų6964.9 Ų64.932%0.32231%0.308SS..  trans-71.791.7178.8-66.4-63.8-37.500110K83 M84 G86 S90 N93K83-Q88 PolarHBondContact O-NE2 3.44Å; M84-Q88 PolarHBondContact O-NE2 3.46Å; G86-Q88 PolarHBondContact O-N 3.48Å; Q88-S90 VanDerWaalsContact C-N 3.28Å; Q88-S90 PolarHBondContact O-N 3.12Å; Q88-N93 HydrophobicContact CB-CB 3.9Å; Q88-N93 PolarHBondContact OE1-ND2 3.24Å; Q88-N93 VanDerWaalsContact OE1-ND2 3.1Å
89R62Low75.9Confident218 Ų21864.4 Ų64.482%0.82331%0.305SS*.  trans-75.1-3.3-175.2-67.8-173.7-178.5-1742.2115.1H87H87-R89 PolarHBondContact O-N 2.96Å
90S65.6Low74.8Confident54 Ų5462.9 Ų62.938%0.37829%0.293SS..  trans-75.5135.4-177.177.80000111.7Q88 F92 N93 A94Q88-S90 VanDerWaalsContact C-N 3.28Å; Q88-S90 PolarHBondContact O-N 3.12Å; S90-F92 PolarHBondContact O-N 2.91Å; S90-F92 VanDerWaalsContact O-N 3.14Å; S90-N93 PolarHBondContact O-N 3.43Å; S90-N93 PolarHBondContact OG-N 3.35Å; S90-A94 PolarHBondContact O-N 3.36Å
91L62.9Low73.6Confident107 Ų10767.3 Ų67.356%0.5631%0.311SS*.Hα-helixtrans-53.9-32.8173-74.3174.1000111.8A94 R95L91-A94 PolarHBondContact O-N 3.43Å; L91-R95 WeakPolarHBondContact O-CB 3.04Å; L91-R95 VanDerWaalsContact O-CG 3.29Å; L91-R95 WeakPolarHBondContact O-CG 3.17Å; L91-R95 PolarHBondContact O-N 2.84Å
92F67.3Low72.4Confident128 Ų12868.9 Ų68.956%0.56132%0.319SS*.Hα-helixtrans-59.6-49.4173.7-177-96.1000111.8S90 A94 R95 Y96S90-F92 PolarHBondContact O-N 2.91Å; S90-F92 VanDerWaalsContact O-N 3.14Å; F92-A94 PolarHBondContact O-N 3.46Å; F92-R95 PolarHBondContact O-N 3.33Å; F92-Y96 WeakPolarHBondContact O-CB 3.47Å; F92-Y96 PolarHBondContact O-N 3.48Å
93N65.3Low71.1Confident45 Ų4567.5 Ų67.524%0.24131%0.311CS..Hα-helixtrans-66.2-39.4178.1-95.9-41.7000112.2Q88 S90 R95 Y96 R97Q88-N93 HydrophobicContact CB-CB 3.9Å; Q88-N93 PolarHBondContact OE1-ND2 3.24Å; Q88-N93 VanDerWaalsContact OE1-ND2 3.1Å; S90-N93 PolarHBondContact O-N 3.43Å; S90-N93 PolarHBondContact OG-N 3.35Å; N93-R95 VanDerWaalsContact C-N 3.28Å; N93-R95 PolarHBondContact O-N 3.06Å; N93-Y96 PolarHBondContact O-N 3.38Å; N93-R97 WeakPolarHBondContact O-CB 3.49Å; N93-R97 VanDerWaalsContact O-CG 3.24Å; N93-R97 WeakPolarHBondContact O-CG 3.41Å; N93-R97 PolarHBondContact O-N 3.18Å
94A65.9Low70Confident34 Ų3466.6 Ų66.628%0.28131%0.307SS..Hα-helixtrans-58.8-41.7174.100000111.9S90 L91 F92 C98 I128S90-A94 PolarHBondContact O-N 3.36Å; L91-A94 PolarHBondContact O-N 3.43Å; F92-A94 PolarHBondContact O-N 3.46Å; A94-C98 PolarHBondContact O-N 3.47Å; A94-C98 VanDerWaalsContact O-N 3.1Å; A94-I128 HydrophobicContact CB-CD1 4.45Å
95R68.6Low68.7Low15 Ų1575.1 Ų75.16%0.05734%0.337CS..Hα-helixtrans-70.6-40.3175.6-73.7-176.9-171132.616.6113.1L91 F92 N93 R97 C98 F99 I120 P124 V126 L131L91-R95 WeakPolarHBondContact O-CB 3.04Å; L91-R95 VanDerWaalsContact O-CG 3.29Å; L91-R95 WeakPolarHBondContact O-CG 3.17Å; L91-R95 PolarHBondContact O-N 2.84Å; F92-R95 PolarHBondContact O-N 3.33Å; N93-R95 VanDerWaalsContact C-N 3.28Å; N93-R95 PolarHBondContact O-N 3.06Å; R95-R97 VanDerWaalsContact C-N 3.34Å; R95-C98 WeakPolarHBondContact O-CB 3.49Å; R95-C98 PolarHBondContact O-N 3.23Å; R95-F99 PolarHBondContact O-N 3.12Å; R95-I120 HydrophobicContact CB-CD1 3.99Å; R95-I120 HydrophobicContact CB-CG1 3.98Å; R95-I120 HydrophobicContact CB-CG2 3.79Å; R95-I120 HydrophobicContact CG-CG1 4.4Å; R95-I120 HydrophobicContact CG-CG2 4.38Å; R95-P124 PolarHBondContact NH1-O 3.1Å; R95-P124 PolarHBondContact NH2-O 3.47Å; R95-V126 HydrophobicContact CG-CG1 4.45Å; R95-V126 PolarHBondContact NE-O 3.1Å; R95-V126 VanDerWaalsContact NH2-N 3.17Å; R95-V126 PolarHBondContact NH2-O 3.17Å; R95-V126 VanDerWaalsContact NH2-O 3.12Å; R95-L131 HydrophobicContact CB-CD1 4.32Å; R95-L131 HydrophobicContact CG-CD1 4.02Å
96Y69.1Low67.2Low113 Ų11377.3 Ų77.344%0.44335%0.353SS..Hα-helixtrans-64.8-38.6176-170.2-92.7000111.6F92 N93 C98 F99 F100F92-Y96 WeakPolarHBondContact O-CB 3.47Å; F92-Y96 PolarHBondContact O-N 3.48Å; N93-Y96 PolarHBondContact O-N 3.38Å; Y96-C98 VanDerWaalsContact C-N 3.33Å; Y96-C98 PolarHBondContact O-N 3.12Å; Y96-F99 HydrophobicContact CE2-CD1 4.39Å; Y96-F99 WeakPolarHBondContact O-CB 3.35Å; Y96-F99 PolarHBondContact O-N 2.76Å; Y96-F100 PolarHBondContact O-N 3.03Å
97R66.2Low66Low74 Ų7481.9 Ų81.928%0.27938%0.382SS..Hα-helixtrans-60.6-43.7171.1-73.4178.785.8-160.66.7111.2P15 S16 T17 N93 R95 F100 K101P15-R97 VanDerWaalsContact O-CZ 3.28Å; P15-R97 PolarHBondContact O-NE 2.9Å; P15-R97 PolarHBondContact O-NH2 3.11Å; S16-R97 PolarHBondContact O-NH2 3.34Å; T17-R97 PolarHBondContact O-NH2 3.46Å; T17-R97 VanDerWaalsContact O-NH2 3.08Å; N93-R97 WeakPolarHBondContact O-CB 3.49Å; N93-R97 VanDerWaalsContact O-CG 3.24Å; N93-R97 WeakPolarHBondContact O-CG 3.41Å; N93-R97 PolarHBondContact O-N 3.18Å; R95-R97 VanDerWaalsContact C-N 3.34Å; R97-F100 PolarHBondContact O-N 2.94Å; R97-K101 WeakPolarHBondContact O-CB 3.44Å; R97-K101 WeakPolarHBondContact O-CG 3.47Å; R97-K101 PolarHBondContact O-N 3.25Å
98C65.7Low65.3Low10 Ų1084 Ų847%0.06840%0.397CS..Hα-helixtrans-60.6-48174.4-172.20000110.6A94 R95 Y96 F100 K101 L102 I128 L131A94-C98 PolarHBondContact O-N 3.47Å; A94-C98 VanDerWaalsContact O-N 3.1Å; R95-C98 WeakPolarHBondContact O-CB 3.49Å; R95-C98 PolarHBondContact O-N 3.23Å; Y96-C98 VanDerWaalsContact C-N 3.33Å; Y96-C98 PolarHBondContact O-N 3.12Å; C98-F100 PolarHBondContact O-N 3.47Å; C98-K101 PolarHBondContact O-N 2.98Å; C98-L102 WeakPolarHBondContact O-CB 3.28Å; C98-L102 WeakPolarHBondContact O-CG 3.31Å; C98-L102 PolarHBondContact O-N 2.97Å; C98-L102 VanDerWaalsContact SG-CD1 3.57Å; C98-I128 HydrophobicContact CB-CG2 4.26Å; C98-L131 HydrophobicContact CB-CD1 4.17Å
99F71.6Confident65.7Low7 Ų781.5 Ų81.53%0.03139%0.386CS..Hα-helixtrans-52.7-56.6174.7175.3-105.8000111.1R95 Y96 K101 L102 T103 R113 L116 L117 I120R95-F99 PolarHBondContact O-N 3.12Å; Y96-F99 HydrophobicContact CE2-CD1 4.39Å; Y96-F99 WeakPolarHBondContact O-CB 3.35Å; Y96-F99 PolarHBondContact O-N 2.76Å; F99-K101 PolarHBondContact O-N 3.06Å; F99-L102 PolarHBondContact O-N 3.44Å; F99-L102 VanDerWaalsContact O-N 3.12Å; F99-T103 HydrophobicContact CD1-CG2 4.1Å; F99-T103 HydrophobicContact CD2-CG2 3.8Å; F99-T103 HydrophobicContact CE1-CG2 3.85Å; F99-T103 HydrophobicContact CE2-CG2 3.48Å; F99-T103 VanDerWaalsContact CE2-CG2 3.48Å; F99-T103 HydrophobicContact CG-CG2 4.09Å; F99-T103 HydrophobicContact CZ-CG2 3.55Å; F99-T103 WeakPolarHBondContact O-CG2 3.25Å; F99-T103 PolarHBondContact O-N 3.02Å; F99-T103 PolarHBondContact O-OG1 2.82Å; F99-R113 HydrophobicContact CE2-CB 3.79Å; F99-R113 HydrophobicContact CE2-CG 4.33Å; F99-R113 WeakPolarHBondContact CE2-O 3.31Å; F99-R113 HydrophobicContact CZ-CB 3.96Å; F99-R113 HydrophobicContact CZ-CG 4.39Å; F99-L116 HydrophobicContact CD2-CB 4.24Å; F99-L117 HydrophobicContact CD1-CD2 3.93Å; F99-L117 HydrophobicContact CD2-CD2 3.74Å; F99-L117 HydrophobicContact CD2-CG 3.87Å; F99-L117 HydrophobicContact CE1-CD1 4.28Å; F99-L117 HydrophobicContact CE1-CD2 3.84Å; F99-L117 HydrophobicContact CE1-CG 4.22Å; F99-L117 HydrophobicContact CE2-CD1 3.91Å; F99-L117 HydrophobicContact CE2-CD2 3.67Å; F99-L117 HydrophobicContact CE2-CG 3.39Å; F99-L117 HydrophobicContact CG-CD2 3.87Å; F99-L117 HydrophobicContact CG-CG 4.48Å; F99-L117 HydrophobicContact CZ-CD1 3.59Å; F99-L117 HydrophobicContact CZ-CD2 3.69Å; F99-L117 HydrophobicContact CZ-CG 3.56Å; F99-I120 HydrophobicContact CB-CD1 4.01Å
100F68.9Low66.4Low82 Ų8274.5 Ų74.536%0.3638%0.375SS..Hα-helixtrans-59.7-44.7-178-168.8-111.2000112.6Y96 R97 C98 L102 T103 K104Y96-F100 PolarHBondContact O-N 3.03Å; R97-F100 PolarHBondContact O-N 2.94Å; C98-F100 PolarHBondContact O-N 3.47Å; F100-L102 VanDerWaalsContact C-N 3.34Å; F100-L102 PolarHBondContact O-N 3.37Å; F100-T103 WeakPolarHBondContact CA-OG1 3.24Å; F100-T103 PolarHBondContact O-N 2.96Å; F100-T103 PolarHBondContact O-OG1 2.83Å; F100-K104 HydrophobicContact CD1-CD 4.14Å; F100-K104 HydrophobicContact CD1-CG 4.49Å; F100-K104 HydrophobicContact CE1-CD 3.72Å; F100-K104 HydrophobicContact CE1-CG 4.24Å; F100-K104 HydrophobicContact CZ-CD 4.19Å; F100-K104 VanDerWaalsContact CZ-CE 3.42Å; F100-K104 HydrophobicContact CZ-CG 4.36Å; F100-K104 PolarHBondContact O-N 2.99Å
101K70.1Confident67Low114 Ų11475.4 Ų75.450%0.49639%0.386SS..Hα-helixtrans-61-40.3175.6-75.3-176.2179.2-175.30112.4S16 R97 C98 F99S16-K101 PolarHBondContact O-NZ 3.14Å; R97-K101 WeakPolarHBondContact O-CB 3.44Å; R97-K101 WeakPolarHBondContact O-CG 3.47Å; R97-K101 PolarHBondContact O-N 3.25Å; C98-K101 PolarHBondContact O-N 2.98Å; F99-K101 PolarHBondContact O-N 3.06Å
102L67Low67.9Low32 Ų3271.3 Ų71.317%0.16837%0.365CS..Hα-helixtrans-68.5-40.3176.4-67.5171.5000111.4C98 F99 F100 R105 L116 V132 C135C98-L102 WeakPolarHBondContact O-CB 3.28Å; C98-L102 WeakPolarHBondContact O-CG 3.31Å; C98-L102 PolarHBondContact O-N 2.97Å; C98-L102 VanDerWaalsContact SG-CD1 3.57Å; F99-L102 PolarHBondContact O-N 3.44Å; F99-L102 VanDerWaalsContact O-N 3.12Å; F100-L102 VanDerWaalsContact C-N 3.34Å; F100-L102 PolarHBondContact O-N 3.37Å; L102-R105 PolarHBondContact O-N 3.02Å; L102-L116 HydrophobicContact CB-CD1 4.25Å; L102-L116 HydrophobicContact CD1-CD1 3.87Å; L102-V132 HydrophobicContact CD2-CG2 4.36Å; L102-C135 HydrophobicContact CD1-CB 3.9Å; L102-C135 HydrophobicContact CD2-CB 3.9Å; L102-C135 HydrophobicContact CG-CB 4.38Å
103T65.5Low68.5Low13 Ų1369.6 Ų69.68%0.0835%0.354CS..Hα-helixtrans-71.4-35.2-179.468.80000113.9F99 F100 R105 S106 R113F99-T103 HydrophobicContact CD1-CG2 4.1Å; F99-T103 HydrophobicContact CD2-CG2 3.8Å; F99-T103 HydrophobicContact CE1-CG2 3.85Å; F99-T103 HydrophobicContact CE2-CG2 3.48Å; F99-T103 VanDerWaalsContact CE2-CG2 3.48Å; F99-T103 HydrophobicContact CG-CG2 4.09Å; F99-T103 HydrophobicContact CZ-CG2 3.55Å; F99-T103 WeakPolarHBondContact O-CG2 3.25Å; F99-T103 PolarHBondContact O-N 3.02Å; F99-T103 PolarHBondContact O-OG1 2.82Å; F100-T103 WeakPolarHBondContact CA-OG1 3.24Å; F100-T103 PolarHBondContact O-N 2.96Å; F100-T103 PolarHBondContact O-OG1 2.83Å; T103-R105 PolarHBondContact O-N 2.98Å; T103-S106 CarbonylContact O-C 3.37Å; T103-S106 PolarHBondContact O-N 3.19Å; T103-S106 VanDerWaalsContact O-N 3.12Å; T103-R113 HydrophobicContact CG2-CB 4.29Å; T103-R113 HydrophobicContact CG2-CG 3.49Å; T103-R113 VanDerWaalsContact CG2-CG 3.49Å
104K65.8Low69.3Low130 Ų13073.3 Ų73.357%0.56537%0.374SS*.Hα-helixtrans-59.9-26.8175.3-89.4-174.3163.7177.30112.5F100 S106F100-K104 HydrophobicContact CD1-CD 4.14Å; F100-K104 HydrophobicContact CD1-CG 4.49Å; F100-K104 HydrophobicContact CE1-CD 3.72Å; F100-K104 HydrophobicContact CE1-CG 4.24Å; F100-K104 HydrophobicContact CZ-CD 4.19Å; F100-K104 VanDerWaalsContact CZ-CE 3.42Å; F100-K104 HydrophobicContact CZ-CG 4.36Å; F100-K104 PolarHBondContact O-N 2.99Å; K104-S106 VanDerWaalsContact C-N 3.32Å
105R60.5Low70.2Confident220 Ų22076.7 Ų76.783%0.8338%0.382SS*.THydrogen-bonded Turntrans-79.5-14.2-178.8-144.2168.8-172.3169.42.5113.4L102 T103L102-R105 PolarHBondContact O-N 3.02Å; T103-R105 PolarHBondContact O-N 2.98Å
106S58.2Low71Confident52 Ų5276 Ų7636%0.36438%0.38SS..  trans-157.581.7174.8-177.80000109.7T103 K104 N108 D109T103-S106 CarbonylContact O-C 3.37Å; T103-S106 PolarHBondContact O-N 3.19Å; T103-S106 VanDerWaalsContact O-N 3.12Å; K104-S106 VanDerWaalsContact C-N 3.32Å; S106-N108 PolarHBondContact O-N 2.8Å; S106-N108 VanDerWaalsContact O-N 3.11Å; S106-D109 PolarHBondContact O-N 3.28Å
107P59.7Low71.6Confident99 Ų9973 Ų7364%0.64337%0.371SS*.THydrogen-bonded Turntrans-60.8-23.3-177.424-33.8000112.9D109P107-D109 PolarHBondContact O-N 2.79Å
108N60.1Low72.4Confident148 Ų14873.8 Ų73.879%0.79138%0.381SS*.THydrogen-bonded Turntrans-89.44.6-172.7-63.8-12.9000114.3S106S106-N108 PolarHBondContact O-N 2.8Å; S106-N108 VanDerWaalsContact O-N 3.11Å
109D73.7Confident73.2Confident17 Ų1775.6 Ų75.69%0.09139%0.387CS..  trans-107.266.5-177.9-149-31.1000112.7S106 P107 A111 V112 R113 K142S106-D109 PolarHBondContact O-N 3.28Å; P107-D109 PolarHBondContact O-N 2.79Å; D109-A111 PolarHBondContact O-N 3.23Å; D109-A111 VanDerWaalsContact O-N 3.17Å; D109-V112 HydrophobicContact CB-CB 4.07Å; D109-V112 HydrophobicContact CB-CG2 4.08Å; D109-V112 PolarHBondContact O-N 2.82Å; D109-V112 VanDerWaalsContact O-N 3.12Å; D109-V112 WeakPolarHBondContact OD1-CG2 3.43Å; D109-V112 PolarHBondContact OD1-N 3.18Å; D109-V112 WeakPolarHBondContact OD2-CG2 3.37Å; D109-R113 WeakPolarHBondContact O-CG 3.3Å; D109-R113 PolarHBondContact O-N 2.97Å; D109-K142 VanDerWaalsContact CG-NZ 3.31Å; D109-K142 IonicContact OD1-NZ 2.67Å; D109-K142 WeakPolarHBondContact OD2-CD 3.38Å; D109-K142 IonicContact OD2-NZ 2.71Å; D109-K142 PolarHBondContact OD2-NZ 3.37Å
110A77Confident73.7Confident71 Ų7175.9 Ų75.959%0.58739%0.389SS*.Hα-helixtrans-53.1-34.6178.300000112.5R113 L114A110-R113 WeakPolarHBondContact O-CB 3.46Å; A110-R113 PolarHBondContact O-N 3.34Å; A110-L114 WeakPolarHBondContact O-CB 3.25Å; A110-L114 PolarHBondContact O-N 2.84Å
111A79Confident74.2Confident73 Ų7379 Ų7960%0.60341%0.405SS*.Hα-helixtrans-65.6-45.4178.100000112.3D109 R113 L114 K115D109-A111 PolarHBondContact O-N 3.23Å; D109-A111 VanDerWaalsContact O-N 3.17Å; A111-R113 VanDerWaalsContact C-N 3.31Å; A111-R113 PolarHBondContact O-N 3Å; A111-L114 PolarHBondContact O-N 3.5Å; A111-K115 WeakPolarHBondContact O-CB 2.97Å; A111-K115 PolarHBondContact O-N 3.08Å; A111-K115 VanDerWaalsContact O-N 3.1Å
112V81.4Confident74.9Confident20 Ų2078.1 Ų78.112%0.12141%0.409CS..Hα-helixtrans-61.8-42.5174.3173.30000110.5D109 K115 L116 L138D109-V112 HydrophobicContact CB-CB 4.07Å; D109-V112 HydrophobicContact CB-CG2 4.08Å; D109-V112 PolarHBondContact O-N 2.82Å; D109-V112 VanDerWaalsContact O-N 3.12Å; D109-V112 WeakPolarHBondContact OD1-CG2 3.43Å; D109-V112 PolarHBondContact OD1-N 3.18Å; D109-V112 WeakPolarHBondContact OD2-CG2 3.37Å; V112-K115 PolarHBondContact O-N 3Å; V112-L116 HydrophobicContact CG1-CD1 3.89Å; V112-L116 HydrophobicContact CG1-CG 4.39Å; V112-L116 VanDerWaalsContact O-CG 3.31Å; V112-L116 WeakPolarHBondContact O-CG 3.42Å; V112-L116 PolarHBondContact O-N 2.79Å; V112-L138 HydrophobicContact CG1-CD1 4.22Å; V112-L138 HydrophobicContact CG2-CB 3.92Å; V112-L138 HydrophobicContact CG2-CD1 4.47Å
113R80.4Confident75.6Confident92 Ų9280.2 Ų80.235%0.34742%0.418SS..Hα-helixtrans-58.6-54.2177.7-63.7-174.917.5108.4-0.1111.5F99 T103 D109 A110 A111 K115 L116 L117F99-R113 HydrophobicContact CE2-CB 3.79Å; F99-R113 HydrophobicContact CE2-CG 4.33Å; F99-R113 WeakPolarHBondContact CE2-O 3.31Å; F99-R113 HydrophobicContact CZ-CB 3.96Å; F99-R113 HydrophobicContact CZ-CG 4.39Å; T103-R113 HydrophobicContact CG2-CB 4.29Å; T103-R113 HydrophobicContact CG2-CG 3.49Å; T103-R113 VanDerWaalsContact CG2-CG 3.49Å; D109-R113 WeakPolarHBondContact O-CG 3.3Å; D109-R113 PolarHBondContact O-N 2.97Å; A110-R113 WeakPolarHBondContact O-CB 3.46Å; A110-R113 PolarHBondContact O-N 3.34Å; A111-R113 VanDerWaalsContact C-N 3.31Å; A111-R113 PolarHBondContact O-N 3Å; R113-K115 VanDerWaalsContact C-N 3.28Å; R113-K115 PolarHBondContact O-N 3.41Å; R113-L116 PolarHBondContact O-N 2.83Å; R113-L117 PolarHBondContact O-N 2.92Å
114L81.8Confident75.8Confident123 Ų12383.6 Ų83.664%0.64444%0.44SS*.Hα-helixtrans-58.9-41.6-177.3-176.161.9000111.5A110 A111 L117 N118A110-L114 WeakPolarHBondContact O-CB 3.25Å; A110-L114 PolarHBondContact O-N 2.84Å; A111-L114 PolarHBondContact O-N 3.5Å; L114-L117 PolarHBondContact O-N 2.8Å; L114-N118 WeakPolarHBondContact O-CB 3.35Å; L114-N118 PolarHBondContact O-N 3Å
115K85.2Confident76.2Confident105 Ų10583.7 Ų83.746%0.45745%0.447SS..Hα-helixtrans-66.6-38.3178.7-170.5160.5173.3179.90112.9A111 V112 R113 K119 L138A111-K115 WeakPolarHBondContact O-CB 2.97Å; A111-K115 PolarHBondContact O-N 3.08Å; A111-K115 VanDerWaalsContact O-N 3.1Å; V112-K115 PolarHBondContact O-N 3Å; R113-K115 VanDerWaalsContact C-N 3.28Å; R113-K115 PolarHBondContact O-N 3.41Å; K115-K119 WeakPolarHBondContact O-CB 3.32Å; K115-K119 PolarHBondContact O-N 3.24Å; K115-K119 VanDerWaalsContact O-N 3.07Å; K115-L138 HydrophobicContact CB-CD1 4Å; K115-L138 HydrophobicContact CD-CD1 3.78Å; K115-L138 HydrophobicContact CD-CD2 3.59Å; K115-L138 HydrophobicContact CD-CG 4.34Å; K115-L138 HydrophobicContact CG-CD1 3.95Å
116L85.1Confident77Confident2 Ų273.4 Ų73.41%0.0141%0.408CS..Hα-helixtrans-67.6-39.5174.9-70172.6000112.1F99 L102 V112 R113 K119 I120 L131 E134 C135F99-L116 HydrophobicContact CD2-CB 4.24Å; L102-L116 HydrophobicContact CB-CD1 4.25Å; L102-L116 HydrophobicContact CD1-CD1 3.87Å; V112-L116 HydrophobicContact CG1-CD1 3.89Å; V112-L116 HydrophobicContact CG1-CG 4.39Å; V112-L116 VanDerWaalsContact O-CG 3.31Å; V112-L116 WeakPolarHBondContact O-CG 3.42Å; V112-L116 PolarHBondContact O-N 2.79Å; R113-L116 PolarHBondContact O-N 2.83Å; L116-K119 PolarHBondContact O-N 2.58Å; L116-I120 WeakPolarHBondContact O-CG1 3.34Å; L116-I120 PolarHBondContact O-N 2.96Å; L116-L131 HydrophobicContact CD2-CD2 4.48Å; L116-E134 HydrophobicContact CD2-CB 4.08Å; L116-E134 HydrophobicContact CD2-CG 4.06Å; L116-C135 HydrophobicContact CD1-CB 3.99Å; L116-C135 HydrophobicContact CD2-CB 4.24Å
117L80.5Confident78.1Confident49 Ų4974.3 Ų74.326%0.25741%0.412SS..Hα-helixtrans-61.1-50.2174.6-73.4173000111.4F99 R113 L114 K119 I120 E121F99-L117 HydrophobicContact CD1-CD2 3.93Å; F99-L117 HydrophobicContact CD2-CD2 3.74Å; F99-L117 HydrophobicContact CD2-CG 3.87Å; F99-L117 HydrophobicContact CE1-CD1 4.28Å; F99-L117 HydrophobicContact CE1-CD2 3.84Å; F99-L117 HydrophobicContact CE1-CG 4.22Å; F99-L117 HydrophobicContact CE2-CD1 3.91Å; F99-L117 HydrophobicContact CE2-CD2 3.67Å; F99-L117 HydrophobicContact CE2-CG 3.39Å; F99-L117 HydrophobicContact CG-CD2 3.87Å; F99-L117 HydrophobicContact CG-CG 4.48Å; F99-L117 HydrophobicContact CZ-CD1 3.59Å; F99-L117 HydrophobicContact CZ-CD2 3.69Å; F99-L117 HydrophobicContact CZ-CG 3.56Å; R113-L117 PolarHBondContact O-N 2.92Å; L114-L117 PolarHBondContact O-N 2.8Å; L117-K119 PolarHBondContact O-N 2.8Å; L117-I120 WeakPolarHBondContact O-CA 3.17Å; L117-I120 WeakPolarHBondContact O-CB 3.07Å; L117-I120 PolarHBondContact O-N 2.9Å; L117-E121 PolarHBondContact O-N 3.18Å
118N83.5Confident79.1Confident90 Ų9073.9 Ų73.948%0.48140%0.403SS..Hα-helixtrans-58.3-36.4178.1-169.73.2000111.5L114 E121 T122L114-N118 WeakPolarHBondContact O-CB 3.35Å; L114-N118 PolarHBondContact O-N 3Å; N118-E121 PolarHBondContact O-N 3.3Å; N118-T122 VanDerWaalsContact O-CB 3.24Å; N118-T122 WeakPolarHBondContact O-CB 3.3Å; N118-T122 PolarHBondContact O-N 2.69Å; N118-T122 PolarHBondContact O-OG1 3.01Å; N118-T122 PolarHBondContact OD1-OG1 3.28Å
119K83.3Confident80.2Confident48 Ų4869.9 Ų69.921%0.20939%0.39CS..Hα-helixtrans-67.7-36.9175.5-165.1158.6-173.6157.50112.9K115 L116 L117 E121 E123 L131 E134K115-K119 WeakPolarHBondContact O-CB 3.32Å; K115-K119 PolarHBondContact O-N 3.24Å; K115-K119 VanDerWaalsContact O-N 3.07Å; L116-K119 PolarHBondContact O-N 2.58Å; L117-K119 PolarHBondContact O-N 2.8Å; K119-E121 VanDerWaalsContact C-N 3.34Å; K119-E123 WeakPolarHBondContact O-CB 3.33Å; K119-E123 PolarHBondContact O-N 3Å; K119-L131 HydrophobicContact CG-CD2 4.45Å; K119-E134 HydrophobicContact CD-CB 4.36Å; K119-E134 HydrophobicContact CD-CG 3.91Å; K119-E134 IonicContact NZ-OE2 3.81Å; K119-E134 PolarHBondContact NZ-OE2 2.93Å
120I82Confident80.7Confident14 Ų1474.7 Ų74.77%0.07241%0.411CS..Hα-helixtrans-66-38.7174.8-70.7165.6000111.2R95 F99 L116 L117 L131R95-I120 HydrophobicContact CB-CD1 3.99Å; R95-I120 HydrophobicContact CB-CG1 3.98Å; R95-I120 HydrophobicContact CB-CG2 3.79Å; R95-I120 HydrophobicContact CG-CG1 4.4Å; R95-I120 HydrophobicContact CG-CG2 4.38Å; F99-I120 HydrophobicContact CB-CD1 4.01Å; L116-I120 WeakPolarHBondContact O-CG1 3.34Å; L116-I120 PolarHBondContact O-N 2.96Å; L117-I120 WeakPolarHBondContact O-CA 3.17Å; L117-I120 WeakPolarHBondContact O-CB 3.07Å; L117-I120 PolarHBondContact O-N 2.9Å; I120-L131 HydrophobicContact CD1-CD1 4.12Å; I120-L131 HydrophobicContact CD1-CD2 4.46Å; I120-L131 HydrophobicContact CG1-CD1 3.88Å; I120-L131 HydrophobicContact CG1-CD2 3.83Å
121E79Confident81Confident148 Ų14871.4 Ų71.469%0.69238%0.383SS*.Hα-helixtrans-74.2-43.6178.8-71.3177.2178.500112.5L117 N118 K119L117-E121 PolarHBondContact O-N 3.18Å; N118-E121 PolarHBondContact O-N 3.3Å; K119-E121 VanDerWaalsContact C-N 3.34Å
122T84.3Confident81.3Confident94 Ų9470.5 Ų70.558%0.57737%0.37SS*.Hα-helixtrans-72.9-37.3-178.1-57.20000111.9N118 P124N118-T122 VanDerWaalsContact O-CB 3.24Å; N118-T122 WeakPolarHBondContact O-CB 3.3Å; N118-T122 PolarHBondContact O-N 2.69Å; N118-T122 PolarHBondContact O-OG1 3.01Å; N118-T122 PolarHBondContact OD1-OG1 3.28Å; T122-P124 WeakPolarHBondContact O-CD 2.83Å
123E81.3Confident81.6Confident77 Ų7774.5 Ų74.536%0.3639%0.391SS..  trans-11387.5-177.1-65.9178.7-15300111.1K119 N125 V126K119-E123 WeakPolarHBondContact O-CB 3.33Å; K119-E123 PolarHBondContact O-N 3Å; E123-N125 PolarHBondContact O-N 3.38Å; E123-V126 HydrophobicContact CB-CB 3.94Å; E123-V126 HydrophobicContact CB-CG1 4.46Å; E123-V126 WeakPolarHBondContact O-CG1 3.29Å; E123-V126 PolarHBondContact O-N 2.87Å
124P71.4Confident81.9Confident83 Ų8371.7 Ų71.754%0.53938%0.381SS..THydrogen-bonded Turntrans-67.10.2-179.228.4-36.6000113.9R95 T122R95-P124 PolarHBondContact NH1-O 3.1Å; R95-P124 PolarHBondContact NH2-O 3.47Å; T122-P124 WeakPolarHBondContact O-CD 2.83Å
125N73.1Confident82.1Confident132 Ų13266.5 Ų66.571%0.70636%0.356SS*.THydrogen-bonded Turntrans-119.612174.9-67.1-33.7000113.6E123 T127E123-N125 PolarHBondContact O-N 3.38Å; N125-T127 PolarHBondContact O-N 2.89Å
126V77.1Confident82.2Confident4 Ų464.2 Ų64.22%0.02435%0.348CS..  trans-63.2128.2176.870.80000110.9R95 E123 K130 L131R95-V126 HydrophobicContact CG-CG1 4.45Å; R95-V126 PolarHBondContact NE-O 3.1Å; R95-V126 VanDerWaalsContact NH2-N 3.17Å; R95-V126 PolarHBondContact NH2-O 3.17Å; R95-V126 VanDerWaalsContact NH2-O 3.12Å; E123-V126 HydrophobicContact CB-CB 3.94Å; E123-V126 HydrophobicContact CB-CG1 4.46Å; E123-V126 WeakPolarHBondContact O-CG1 3.29Å; E123-V126 PolarHBondContact O-N 2.87Å; V126-K130 HydrophobicContact CG2-CB 3.79Å; V126-K130 HydrophobicContact CG2-CD 4.35Å; V126-L131 HydrophobicContact CG1-CD1 4.18Å; V126-L131 HydrophobicContact CG1-CD2 3.95Å; V126-L131 HydrophobicContact CG1-CG 4.07Å; V126-L131 HydrophobicContact CG2-CD2 3.99Å; V126-L131 HydrophobicContact CG2-CG 3.98Å
127T82.5Confident82.4Confident72 Ų7269.3 Ų69.344%0.44237%0.372SS..  trans-79.3151.2175.854.90000110.7N125 A129 K130 L131N125-T127 PolarHBondContact O-N 2.89Å; T127-A129 PolarHBondContact O-N 3.48Å; T127-K130 WeakPolarHBondContact O-CB 3.5Å; T127-K130 PolarHBondContact O-N 3.29Å; T127-K130 VanDerWaalsContact O-N 3.1Å; T127-K130 VanDerWaalsContact OG1-CG 3.27Å; T127-K130 WeakPolarHBondContact OG1-CG 3.42Å; T127-K130 PolarHBondContact OG1-N 3Å; T127-L131 PolarHBondContact O-N 2.76Å
128I80.5Confident82.8Confident90 Ų9067.6 Ų67.646%0.46236%0.363SS..Hα-helixtrans-53.7-41.4176.6-62.9174.9000111.8A94 C98 K130 L131 V132A94-I128 HydrophobicContact CB-CD1 4.45Å; C98-I128 HydrophobicContact CB-CG2 4.26Å; I128-K130 PolarHBondContact O-N 3.26Å; I128-L131 WeakPolarHBondContact O-CB 3.34Å; I128-L131 PolarHBondContact O-N 3.27Å; I128-L131 VanDerWaalsContact O-N 3.11Å; I128-V132 HydrophobicContact CG2-CG2 4.42Å; I128-V132 WeakPolarHBondContact O-CG2 3.39Å; I128-V132 PolarHBondContact O-N 3.43Å
129A82.1Confident82.8Confident63 Ų6369.6 Ų69.652%0.52136%0.364SS..Hα-helixtrans-56.5-48.4177.900000112.4T127 L131 V132 D133T127-A129 PolarHBondContact O-N 3.48Å; A129-L131 VanDerWaalsContact C-N 3.3Å; A129-L131 PolarHBondContact O-N 2.92Å; A129-V132 WeakPolarHBondContact O-CB 3.47Å; A129-V132 PolarHBondContact O-N 3.35Å; A129-V132 VanDerWaalsContact O-N 3.14Å; A129-D133 PolarHBondContact O-N 2.97Å
130K84.7Confident83Confident119 Ų11971.5 Ų71.552%0.51738%0.376SS..Hα-helixtrans-59.7-36.4175.5-72.2178179.7-175.50113.2V126 T127 I128 E134V126-K130 HydrophobicContact CG2-CB 3.79Å; V126-K130 HydrophobicContact CG2-CD 4.35Å; T127-K130 WeakPolarHBondContact O-CB 3.5Å; T127-K130 PolarHBondContact O-N 3.29Å; T127-K130 VanDerWaalsContact O-N 3.1Å; T127-K130 VanDerWaalsContact OG1-CG 3.27Å; T127-K130 WeakPolarHBondContact OG1-CG 3.42Å; T127-K130 PolarHBondContact OG1-N 3Å; I128-K130 PolarHBondContact O-N 3.26Å; K130-E134 WeakPolarHBondContact O-CB 3.36Å; K130-E134 PolarHBondContact O-N 3.35Å
131L83.8Confident83.3Confident2 Ų274.9 Ų74.91%0.0139%0.394CS..Hα-helixtrans-68-39.3176-69.6174.1000111.9R95 C98 L116 K119 I120 V126 T127 I128 A129 C135R95-L131 HydrophobicContact CB-CD1 4.32Å; R95-L131 HydrophobicContact CG-CD1 4.02Å; C98-L131 HydrophobicContact CB-CD1 4.17Å; L116-L131 HydrophobicContact CD2-CD2 4.48Å; K119-L131 HydrophobicContact CG-CD2 4.45Å; I120-L131 HydrophobicContact CD1-CD1 4.12Å; I120-L131 HydrophobicContact CD1-CD2 4.46Å; I120-L131 HydrophobicContact CG1-CD1 3.88Å; I120-L131 HydrophobicContact CG1-CD2 3.83Å; V126-L131 HydrophobicContact CG1-CD1 4.18Å; V126-L131 HydrophobicContact CG1-CD2 3.95Å; V126-L131 HydrophobicContact CG1-CG 4.07Å; V126-L131 HydrophobicContact CG2-CD2 3.99Å; V126-L131 HydrophobicContact CG2-CG 3.98Å; T127-L131 PolarHBondContact O-N 2.76Å; I128-L131 WeakPolarHBondContact O-CB 3.34Å; I128-L131 PolarHBondContact O-N 3.27Å; I128-L131 VanDerWaalsContact O-N 3.11Å; A129-L131 VanDerWaalsContact C-N 3.3Å; A129-L131 PolarHBondContact O-N 2.92Å; L131-C135 WeakPolarHBondContact O-CB 3.31Å; L131-C135 PolarHBondContact O-N 2.98Å
132V84.2Confident83.6Confident53 Ų5371.7 Ų71.732%0.32138%0.378SS..Hα-helixtrans-65.6-43.4175.5174.30000110.9L102 I128 A129 C135 N136L102-V132 HydrophobicContact CD2-CG2 4.36Å; I128-V132 HydrophobicContact CG2-CG2 4.42Å; I128-V132 WeakPolarHBondContact O-CG2 3.39Å; I128-V132 PolarHBondContact O-N 3.43Å; A129-V132 WeakPolarHBondContact O-CB 3.47Å; A129-V132 PolarHBondContact O-N 3.35Å; A129-V132 VanDerWaalsContact O-N 3.14Å; V132-C135 PolarHBondContact O-N 2.73Å; V132-N136 PolarHBondContact O-N 3.13Å; V132-N136 PolarHBondContact O-ND2 3.47Å
133D87.1Confident83.6Confident105 Ų10573.8 Ų73.856%0.56138%0.376SS*.Hα-helixtrans-62.2-44.9176.7-69.6-22.4000111.4A129 C135 N136 H137A129-D133 PolarHBondContact O-N 2.97Å; D133-C135 PolarHBondContact O-N 3.31Å; D133-N136 PolarHBondContact O-N 2.8Å; D133-H137 WeakPolarHBondContact O-CB 3.43Å; D133-H137 PolarHBondContact O-N 3.29Å
134E87.8Confident83.9Confident32 Ų3274.3 Ų74.315%0.1538%0.381CS..Hα-helixtrans-59.6-46.5174.7-171.369.7-159.800111.1L116 K119 K130 N136 H137 L138L116-E134 HydrophobicContact CD2-CB 4.08Å; L116-E134 HydrophobicContact CD2-CG 4.06Å; K119-E134 HydrophobicContact CD-CB 4.36Å; K119-E134 HydrophobicContact CD-CG 3.91Å; K119-E134 IonicContact NZ-OE2 3.81Å; K119-E134 PolarHBondContact NZ-OE2 2.93Å; K130-E134 WeakPolarHBondContact O-CB 3.36Å; K130-E134 PolarHBondContact O-N 3.35Å; E134-N136 VanDerWaalsContact C-N 3.32Å; E134-N136 PolarHBondContact O-N 2.74Å; E134-H137 WeakPolarHBondContact O-CB 3.32Å; E134-H137 PolarHBondContact O-N 3.19Å; E134-L138 HydrophobicContact CG-CD1 4.24Å; E134-L138 HydrophobicContact CG-CG 4.48Å; E134-L138 VanDerWaalsContact O-CG 3.31Å; E134-L138 WeakPolarHBondContact O-CG 3.44Å; E134-L138 PolarHBondContact O-N 3.49Å
135C86.7Confident84.5Confident15 Ų1573.7 Ų73.710%0.10138%0.376CS..Hα-helixtrans-60.4-42.3178.7-174.50000112.2L102 L116 L131 V132 D133 R139L102-C135 HydrophobicContact CD1-CB 3.9Å; L102-C135 HydrophobicContact CD2-CB 3.9Å; L102-C135 HydrophobicContact CG-CB 4.38Å; L116-C135 HydrophobicContact CD1-CB 3.99Å; L116-C135 HydrophobicContact CD2-CB 4.24Å; L131-C135 WeakPolarHBondContact O-CB 3.31Å; L131-C135 PolarHBondContact O-N 2.98Å; V132-C135 PolarHBondContact O-N 2.73Å; D133-C135 PolarHBondContact O-N 3.31Å; C135-R139 WeakPolarHBondContact O-CB 3.27Å; C135-R139 PolarHBondContact O-N 2.78Å; C135-R139 VanDerWaalsContact O-N 3.11Å
136N87.3Confident85Confident57 Ų5771 Ų7131%0.30536%0.359SS..Hα-helixtrans-65.9-41.7176.4-76.4-40.6000111.5V132 D133 E134 R139 N140V132-N136 PolarHBondContact O-N 3.13Å; V132-N136 PolarHBondContact O-ND2 3.47Å; D133-N136 PolarHBondContact O-N 2.8Å; E134-N136 VanDerWaalsContact C-N 3.32Å; E134-N136 PolarHBondContact O-N 2.74Å; N136-R139 PolarHBondContact O-N 2.73Å; N136-R139 PolarHBondContact OD1-NH2 3.34Å; N136-N140 WeakPolarHBondContact O-CB 3.45Å; N136-N140 PolarHBondContact O-N 2.93Å; N136-N140 PolarHBondContact O-ND2 2.85Å
137H89.4Confident85.1Confident108 Ų10875 Ų7550%0.538%0.379SS..Hα-helixtrans-60-46.8177-179.658.8000111.8D133 E134 R139 N140 L141D133-H137 WeakPolarHBondContact O-CB 3.43Å; D133-H137 PolarHBondContact O-N 3.29Å; E134-H137 WeakPolarHBondContact O-CB 3.32Å; E134-H137 PolarHBondContact O-N 3.19Å; H137-R139 VanDerWaalsContact C-N 3.35Å; H137-R139 PolarHBondContact O-N 3.34Å; H137-N140 PolarHBondContact O-N 3.4Å; H137-L141 WeakPolarHBondContact O-CB 3.46Å; H137-L141 PolarHBondContact O-N 2.79Å
138L87.2Confident84.9Confident13 Ų1376.5 Ų76.57%0.06839%0.388CS..Hα-helixtrans-64.1-39.2178.3-63.5174.4000112.7V112 K115 E134 L141 K142V112-L138 HydrophobicContact CG1-CD1 4.22Å; V112-L138 HydrophobicContact CG2-CB 3.92Å; V112-L138 HydrophobicContact CG2-CD1 4.47Å; K115-L138 HydrophobicContact CB-CD1 4Å; K115-L138 HydrophobicContact CD-CD1 3.78Å; K115-L138 HydrophobicContact CD-CD2 3.59Å; K115-L138 HydrophobicContact CD-CG 4.34Å; K115-L138 HydrophobicContact CG-CD1 3.95Å; E134-L138 HydrophobicContact CG-CD1 4.24Å; E134-L138 HydrophobicContact CG-CG 4.48Å; E134-L138 VanDerWaalsContact O-CG 3.31Å; E134-L138 WeakPolarHBondContact O-CG 3.44Å; E134-L138 PolarHBondContact O-N 3.49Å; L138-L141 PolarHBondContact O-N 3.5Å; L138-K142 PolarHBondContact O-N 2.89Å
139R85Confident84.7Confident133 Ų13378.2 Ų78.250%0.50239%0.394SS..Hα-helixtrans-65.6-41.9176.1-177.2173.257.1142.5-1.8111.9C135 N136 H137 L141 K142 Y143C135-R139 WeakPolarHBondContact O-CB 3.27Å; C135-R139 PolarHBondContact O-N 2.78Å; C135-R139 VanDerWaalsContact O-N 3.11Å; N136-R139 PolarHBondContact O-N 2.73Å; N136-R139 PolarHBondContact OD1-NH2 3.34Å; H137-R139 VanDerWaalsContact C-N 3.35Å; H137-R139 PolarHBondContact O-N 3.34Å; R139-L141 VanDerWaalsContact C-N 3.35Å; R139-K142 PolarHBondContact O-N 2.66Å; R139-Y143 PolarHBondContact O-N 2.63Å
140N87Confident84Confident88 Ų8882.5 Ų82.547%0.47140%0.403SS..Hα-helixtrans-63.9-42.7175.3-68.4-14.5000110.8N136 H137 K142 Y143 D144N136-N140 WeakPolarHBondContact O-CB 3.45Å; N136-N140 PolarHBondContact O-N 2.93Å; N136-N140 PolarHBondContact O-ND2 2.85Å; H137-N140 PolarHBondContact O-N 3.4Å; N140-K142 VanDerWaalsContact C-N 3.3Å; N140-K142 PolarHBondContact O-N 2.94Å; N140-Y143 WeakPolarHBondContact O-CB 3.5Å; N140-Y143 PolarHBondContact O-N 3.11Å; N140-D144 PolarHBondContact O-N 3.31Å
141L87.1Confident82.9Confident85 Ų8581.1 Ų81.145%0.44541%0.408SS..Hα-helixtrans-60.9-40.3177.1-172.471.2000112.1H137 L138 R139 D144 T145H137-L141 WeakPolarHBondContact O-CB 3.46Å; H137-L141 PolarHBondContact O-N 2.79Å; L138-L141 PolarHBondContact O-N 3.5Å; R139-L141 VanDerWaalsContact C-N 3.35Å; L141-D144 PolarHBondContact O-N 3Å; L141-T145 WeakPolarHBondContact O-CB 3.37Å; L141-T145 PolarHBondContact O-N 2.83Å; L141-T145 PolarHBondContact O-OG1 3.16Å
142K85.3Confident81.6Confident81 Ų8184.4 Ų84.435%0.35244%0.435SS..Hα-helixtrans-63.4-46.6174.9-179.4171.9175172.50111.5D109 L138 R139 N140 D144 T145 E146D109-K142 VanDerWaalsContact CG-NZ 3.31Å; D109-K142 IonicContact OD1-NZ 2.67Å; D109-K142 WeakPolarHBondContact OD2-CD 3.38Å; D109-K142 IonicContact OD2-NZ 2.71Å; D109-K142 PolarHBondContact OD2-NZ 3.37Å; L138-K142 PolarHBondContact O-N 2.89Å; R139-K142 PolarHBondContact O-N 2.66Å; N140-K142 VanDerWaalsContact C-N 3.3Å; N140-K142 PolarHBondContact O-N 2.94Å; K142-D144 PolarHBondContact O-N 2.8Å; K142-T145 WeakPolarHBondContact O-CB 3.5Å; K142-T145 PolarHBondContact O-N 3.01Å; K142-E146 VanDerWaalsContact CE-OE1 3.27Å; K142-E146 WeakPolarHBondContact CE-OE1 3.41Å; K142-E146 WeakPolarHBondContact CG-OE1 3.26Å; K142-E146 WeakPolarHBondContact O-CG 3.37Å; K142-E146 PolarHBondContact O-N 2.81Å
143Y85.6Confident80.2Confident137 Ų13785.2 Ų85.254%0.53746%0.455SS..Hα-helixtrans-59-45.2174.9-177.6-100.5000112R139 N140 T145 E146 M147R139-Y143 PolarHBondContact O-N 2.63Å; N140-Y143 WeakPolarHBondContact O-CB 3.5Å; N140-Y143 PolarHBondContact O-N 3.11Å; Y143-T145 VanDerWaalsContact C-N 3.32Å; Y143-T145 PolarHBondContact O-N 3.46Å; Y143-E146 PolarHBondContact O-N 3.1Å; Y143-M147 HydrophobicContact CD1-CG 4.13Å; Y143-M147 HydrophobicContact CD1-SD 4.05Å; Y143-M147 HydrophobicContact CE1-CG 3.79Å; Y143-M147 HydrophobicContact CE1-SD 3.32Å; Y143-M147 WeakPolarHBondContact CE1-SD 3.35Å; Y143-M147 WeakPolarHBondContact O-CG 3.24Å; Y143-M147 PolarHBondContact O-N 2.88Å
144D86.1Confident78.6Confident88 Ų8884.9 Ų84.947%0.47146%0.461SS..Hα-helixtrans-62.2-40.6177.4-67.1-20.8000111.4N140 L141 K142 M147 V148N140-D144 PolarHBondContact O-N 3.31Å; L141-D144 PolarHBondContact O-N 3Å; K142-D144 PolarHBondContact O-N 2.8Å; D144-M147 PolarHBondContact O-N 3.13Å; D144-V148 WeakPolarHBondContact O-CG2 3.35Å; D144-V148 PolarHBondContact O-N 3.47Å
145T84.6Confident77Confident70 Ų7089.1 Ų89.143%0.42949%0.485SS..Hα-helixtrans-63.1-45.7175.9-56.20000111.1L141 K142 Y143 M147 V148 Q149L141-T145 WeakPolarHBondContact O-CB 3.37Å; L141-T145 PolarHBondContact O-N 2.83Å; L141-T145 PolarHBondContact O-OG1 3.16Å; K142-T145 WeakPolarHBondContact O-CB 3.5Å; K142-T145 PolarHBondContact O-N 3.01Å; Y143-T145 VanDerWaalsContact C-N 3.32Å; Y143-T145 PolarHBondContact O-N 3.46Å; T145-M147 VanDerWaalsContact C-N 3.32Å; T145-M147 PolarHBondContact O-N 3Å; T145-V148 PolarHBondContact O-N 3.04Å; T145-Q149 WeakPolarHBondContact O-CG 3.48Å; T145-Q149 PolarHBondContact O-N 2.95Å
146E83.2Confident75.1Confident77 Ų7794.3 Ų94.336%0.3652%0.518SS..Hα-helixtrans-61.9-39175.1-71171.4-169.300111.6K142 Y143 Q149 Q150K142-E146 VanDerWaalsContact CE-OE1 3.27Å; K142-E146 WeakPolarHBondContact CE-OE1 3.41Å; K142-E146 WeakPolarHBondContact CG-OE1 3.26Å; K142-E146 WeakPolarHBondContact O-CG 3.37Å; K142-E146 PolarHBondContact O-N 2.81Å; Y143-E146 PolarHBondContact O-N 3.1Å; E146-Q149 PolarHBondContact O-N 2.98Å; E146-Q150 VanDerWaalsContact O-CG 3.31Å; E146-Q150 WeakPolarHBondContact O-CG 3.31Å; E146-Q150 PolarHBondContact O-N 3.22Å
147M79.7Confident73.2Confident88 Ų8898.2 Ų98.243%0.43354%0.538SS..Hα-helixtrans-63.7-43175.3-73.6-156.175.900112.5Y143 D144 T145 Q150 S151Y143-M147 HydrophobicContact CD1-CG 4.13Å; Y143-M147 HydrophobicContact CD1-SD 4.05Å; Y143-M147 HydrophobicContact CE1-CG 3.79Å; Y143-M147 HydrophobicContact CE1-SD 3.32Å; Y143-M147 WeakPolarHBondContact CE1-SD 3.35Å; Y143-M147 WeakPolarHBondContact O-CG 3.24Å; Y143-M147 PolarHBondContact O-N 2.88Å; D144-M147 PolarHBondContact O-N 3.13Å; T145-M147 VanDerWaalsContact C-N 3.32Å; T145-M147 PolarHBondContact O-N 3Å; M147-Q150 PolarHBondContact O-N 2.66Å; M147-S151 PolarHBondContact O-N 2.86Å; M147-S151 VanDerWaalsContact O-N 3.14Å; M147-S151 PolarHBondContact O-OG 2.88Å
148V78.5Confident71.1Confident103 Ų103101.7 Ų101.762%0.62456%0.555SS**Hα-helixtrans-65.3-41.5176.9173.40000110.8D144 T145 S151 A152D144-V148 WeakPolarHBondContact O-CG2 3.35Å; D144-V148 PolarHBondContact O-N 3.47Å; T145-V148 PolarHBondContact O-N 3.04Å; V148-S151 WeakPolarHBondContact O-CB 3.42Å; V148-S151 PolarHBondContact O-N 3.25Å; V148-A152 PolarHBondContact O-N 3.31Å; V148-A152 VanDerWaalsContact O-N 3.11Å
149Q76Confident69.5Low126 Ų126107.9 Ų107.959%0.58959%0.593SS**Hα-helixtrans-63.3-41.7177.2-74.1176.3-16.900112.6T145 E146 S151 A152T145-Q149 WeakPolarHBondContact O-CG 3.48Å; T145-Q149 PolarHBondContact O-N 2.95Å; E146-Q149 PolarHBondContact O-N 2.98Å; Q149-S151 VanDerWaalsContact C-N 3.27Å; Q149-S151 PolarHBondContact O-N 3.45Å; Q149-A152 PolarHBondContact O-N 3.41Å
150Q67.8Low67.9Low153 Ų153108.5 Ų108.572%0.71561%0.606SS**Hα-helixtrans-65-32.4175.7-72.2173.431.300112.3E146 M147 A152 G153E146-Q150 VanDerWaalsContact O-CG 3.31Å; E146-Q150 WeakPolarHBondContact O-CG 3.31Å; E146-Q150 PolarHBondContact O-N 3.22Å; M147-Q150 PolarHBondContact O-N 2.66Å; Q150-A152 VanDerWaalsContact C-N 3.35Å; Q150-G153 PolarHBondContact O-N 3.32Å
151S62.4Low66.1Low90 Ų90112.7 Ų112.763%0.62962%0.62SS**Hα-helixtrans-74.1-25.2178.1-50.10000113.1M147 V148 Q149 G153M147-S151 PolarHBondContact O-N 2.86Å; M147-S151 VanDerWaalsContact O-N 3.14Å; M147-S151 PolarHBondContact O-OG 2.88Å; V148-S151 WeakPolarHBondContact O-CB 3.42Å; V148-S151 PolarHBondContact O-N 3.25Å; Q149-S151 VanDerWaalsContact C-N 3.27Å; Q149-S151 PolarHBondContact O-N 3.45Å; S151-G153 VanDerWaalsContact C-N 3.26Å; S151-G153 PolarHBondContact O-N 2.96Å
152A55.7Low64.4Low70 Ų70115.4 Ų115.458%0.57964%0.639SS**THydrogen-bonded Turntrans-82.4-0.8176.700000113.4V148 Q149 Q150 S154V148-A152 PolarHBondContact O-N 3.31Å; V148-A152 VanDerWaalsContact O-N 3.11Å; Q149-A152 PolarHBondContact O-N 3.41Å; Q150-A152 VanDerWaalsContact C-N 3.35Å; A152-S154 PolarHBondContact O-N 3.45Å
153G54.7Low62.5Low71 Ų71114.3 Ų114.373%0.73265%0.646SS**  trans-74.44.8-176.800000116Q150 S151Q150-G153 PolarHBondContact O-N 3.32Å; S151-G153 VanDerWaalsContact C-N 3.26Å; S151-G153 PolarHBondContact O-N 2.96Å
154S54.2Low60.7Low98 Ų98112.1 Ų112.169%0.68566%0.656SS**SBendtrans-123.5104.7169.558.50000108.9A152A152-S154 PolarHBondContact O-N 3.45Å
155D52.3Low58.9Low121 Ų121117.1 Ų117.165%0.64767%0.673SS**  trans86.5104.4173.4-136.4-6000116.3L157D155-L157 PolarHBondContact O-N 3.45Å
156P47Very low57.1Low123 Ų123124.7 Ų124.780%0.79969%0.694SS**  trans-79.159.417532.8-32.8000111.4
157L47.6Very low55.3Low139 Ų139129 Ų12973%0.72872%0.72SS**  trans-147.3138.9-179.4-67.1174.1000113.1D155D155-L157 PolarHBondContact O-N 3.45Å
158E46.8Very low53.8Low182 Ų182129.8 Ų129.885%0.8573%0.734SS**  trans82.861172.6-59.9-167.4160.400118.9D160E158-D160 PolarHBondContact O-N 3.39Å
159V53.7Low52.1Low143 Ų143136.8 Ų136.887%0.86775%0.749SS**  trans-76.3109.3135.4179.70000106.2K161V159-K161 VanDerWaalsContact C-N 3.32Å; V159-K161 PolarHBondContact O-N 3.47Å
160D50.3Low50.6Low145 Ų145136.4 Ų136.478%0.77576%0.76SS**  trans-61.693.3178.6-145.2-0.9000108.4E158 V162E158-D160 PolarHBondContact O-N 3.39Å; D160-V162 PolarHBondContact O-N 3.24Å
161K48.9Very low49.5Very low176 Ų176134.8 Ų134.877%0.76576%0.761SS**  trans-58.9110.1173178.1-179.2-179.4175.40105.9V159 A163V159-K161 VanDerWaalsContact C-N 3.32Å; V159-K161 PolarHBondContact O-N 3.47Å; K161-A163 HydrophobicContact CG-CB 4.33Å; K161-A163 PolarHBondContact O-N 2.88Å
162V51.1Low48.2Very low142 Ų142138.9 Ų138.986%0.86177%0.768SS**  trans-68.875.1165.5-173.50000107.3D160 A164D160-V162 PolarHBondContact O-N 3.24Å; V162-A164 PolarHBondContact O-N 3.45Å
163A46.3Very low47.7Very low59 Ų59141 Ų14149%0.48877%0.774SS.*  trans-70.9108164.100000105.3K161 K165K161-A163 HydrophobicContact CG-CB 4.33Å; K161-A163 PolarHBondContact O-N 2.88Å; A163-K165 PolarHBondContact O-N 2.95Å
164A48.1Very low47.3Very low91 Ų91145.7 Ų145.775%0.75278%0.777SS**  trans-58.386.6164.400000108V162 R166V162-A164 PolarHBondContact O-N 3.45Å; A164-R166 PolarHBondContact O-N 2.97Å
165K47.8Very low46.5Very low192 Ų192145.6 Ų145.684%0.83578%0.775SS**  trans-63.1103.1171-96.8-176.6174.8176.80106A163 N167A163-K165 PolarHBondContact O-N 2.95Å; K165-N167 PolarHBondContact O-N 2.94Å
166R46.8Very low46Very low229 Ų229146.7 Ų146.786%0.86478%0.781SS**  trans-49.6112.8165.5-67.2173.187.5157.63.5106A164 S168A164-R166 PolarHBondContact O-N 2.97Å; R166-S168 PolarHBondContact O-N 3.07Å; R166-S168 PolarHBondContact O-OG 3.08Å
167N46.6Very low45.8Very low169 Ų169153 Ų15390%0.90479%0.789SS**  trans-74.181.1-173.3-148.712.6000108.1K165 R169K165-N167 PolarHBondContact O-N 2.94Å; N167-R169 PolarHBondContact O-N 3.34Å
168S48.2Very low45.9Very low103 Ų103150.6 Ų150.672%0.7278%0.783SS**  trans-75.7107.6175.5-50.20000108.6R166R166-S168 PolarHBondContact O-N 3.07Å; R166-S168 PolarHBondContact O-OG 3.08Å
169R41.1Very low46.3Very low251 Ų251147.1 Ų147.195%0.94778%0.776SS**  trans3899.4156.1-72.2176.9-167.7148.24.9116.1N167N167-R169 PolarHBondContact O-N 3.34Å
170S46.4Very low46.5Very low118 Ų118148 Ų14883%0.82577%0.771SS**  trans-131.5132.7144-1780000108.6
171T43.3Very low46.8Very low119 Ų119150.3 Ų150.373%0.7377%0.774SS**  trans-59133.3-159.1-41.20000112.6T173T171-T173 PolarHBondContact O-N 2.98Å
172F34.8Very low47.3Very low175 Ų175147.6 Ų147.677%0.76876%0.764SS**  trans-57101162.8173.464.1000109.1Q174F172-Q174 HydrophobicContact CE1-CB 4.4Å; F172-Q174 HydrophobicContact CZ-CB 4.32Å
173T47Very low47.8Very low116 Ų116143 Ų14371%0.71274%0.737SS**  trans-117.3119.2158.637.40000108.7T171 C175T171-T173 PolarHBondContact O-N 2.98Å; T173-C175 PolarHBondContact O-N 3.31Å
174Q44.5Very low48.8Very low169 Ų169145.5 Ų145.579%0.7976%0.758SS**  trans-86.898.3-177.7-176.2-175.821.900108.6F172F172-Q174 HydrophobicContact CE1-CB 4.4Å; F172-Q174 HydrophobicContact CZ-CB 4.32Å
175C38.4Very low50.2Low95 Ų95151 Ų15164%0.64276%0.759SS**  trans-178.9139.3168.2490000106.9T173T173-C175 PolarHBondContact O-N 3.31Å
176D41.4Very low51.7Low144 Ų144149.9 Ų149.977%0.7775%0.754SS**  cis-147.4130.317.8-84.8-52.2000108.8S178D176-S178 VanDerWaalsContact C-N 3.26Å; D176-S178 PolarHBondContact O-N 3.37Å
177R42.7Very low53.6Low257 Ų257139.6 Ų139.697%0.9772%0.717SS**  trans-75.781.8162-70.4-179.6177.7-155.60.5107.8
178S50.6Low55.5Low87 Ų87141.7 Ų141.761%0.60872%0.718SS**  trans-121.7112.8171.9-163.20000111D176 H180D176-S178 VanDerWaalsContact C-N 3.26Å; D176-S178 PolarHBondContact O-N 3.37Å; S178-H180 PolarHBondContact O-N 3.42Å
179P54.5Low57.3Low109 Ų109141.5 Ų141.571%0.70871%0.712SS**THydrogen-bonded Turntrans-69.94.1-173.5-19.231.5000116.7
180H57.4Low59.5Low162 Ų162132.4 Ų132.475%0.7569%0.686SS**THydrogen-bonded Turntrans-119.110.8-156.4-73.5-66.3000118.1S178S178-H180 PolarHBondContact O-N 3.42Å
181K57.9Low61.4Low193 Ų193127 Ų12784%0.83965%0.648SS**  trans-110.4103172.2-95.3178.4177175.90112.7
182Q58.6Low63.3Low119 Ų119131.3 Ų131.356%0.55665%0.651SS**  trans-63.5134.1166-66.5-75.3-22.600109.1A184Q182-A184 PolarHBondContact O-N 3.28Å
183P61.8Low65.5Low46 Ų46123.9 Ų123.930%0.29962%0.619SS.*  trans-63.2136.417226.6-32.9000109.5R185 Y199 F202P183-R185 PolarHBondContact O-N 3.23Å; P183-Y199 HydrophobicContact CB-CE2 4.32Å; P183-Y199 HydrophobicContact CG-CD2 3.54Å; P183-Y199 HydrophobicContact CG-CE2 3.57Å; P183-F202 HydrophobicContact CG-CE2 3.69Å; P183-F202 HydrophobicContact CG-CZ 4.38Å
184A67.8Low67.2Low112 Ų112119.8 Ų119.893%0.92660%0.595SS**SBendtrans-63-10-177.300000114.6Q182Q182-A184 PolarHBondContact O-N 3.28Å
185R77.1Confident69Low207 Ų207114.1 Ų114.178%0.78158%0.582SS**SBendtrans-100.9129.9-179.7-62.6-173.4-178.8-167.70.2110.4P183 Y199P183-R185 PolarHBondContact O-N 3.23Å; R185-Y199 VanDerWaalsContact O-CE2 3.29Å; R185-Y199 WeakPolarHBondContact O-CE2 3.39Å
186K79.5Confident71.3Confident168 Ų168111.7 Ų111.773%0.7357%0.569SS**PPolyproline II helixtrans-67.4144170.6-66.9178.9-177.9176.50109.6
187P86.3Confident73.5Confident12 Ų12112.3 Ų112.38%0.07856%0.561CS.*PPolyproline II helixtrans-64.3157.1176.831-39.2000111.6T189 W197 Y199P187-T189 WeakPolarHBondContact CB-O 3.49Å; P187-T189 VanDerWaalsContact CG-O 3.24Å; P187-T189 WeakPolarHBondContact CG-O 3.36Å; P187-T189 PolarHBondContact O-N 2.97Å; P187-W197 HydrophobicContact CG-CE3 4.35Å; P187-W197 VanDerWaalsContact O-CZ3 3.32Å; P187-W197 WeakPolarHBondContact O-CZ3 3.43Å; P187-Y199 HydrophobicContact CB-CD1 4Å; P187-Y199 HydrophobicContact CB-CE1 3.97Å; P187-Y199 HydrophobicContact CB-CG 4.32Å
188K86.7Confident75.6Confident213 Ų213101.7 Ų101.793%0.92652%0.522SS*.SBendtrans-67.9-18176.2-67.1-174.4178.3-175.60113.3
189T85.4Confident77.4Confident99 Ų99101.8 Ų101.861%0.60751%0.51SS*.SBendtrans-137.3150178.953.40000110.1P187P187-T189 WeakPolarHBondContact CB-O 3.49Å; P187-T189 VanDerWaalsContact CG-O 3.24Å; P187-T189 WeakPolarHBondContact CG-O 3.36Å; P187-T189 PolarHBondContact O-N 2.97Å
190P87.4Confident78.8Confident61 Ų6198.3 Ų98.340%0.39649%0.486SS..  trans-61.9152.9173.726.3-34000111.1W192 G195P190-W192 PolarHBondContact O-N 3.22Å; P190-W192 VanDerWaalsContact O-N 3.14Å; P190-G195 WeakPolarHBondContact CB-O 3.48Å
191C85.6Confident80Confident3 Ų398.4 Ų98.42%0.0248%0.48CS..  trans-59.4118.3177.4178.80000110.4L193 C194 G195 A196 H198C191-L193 PolarHBondContact O-N 3.42Å; C191-L193 PolarHBondContact SG-N 3.35Å; C191-C194 PolarHBondContact O-N 3.39Å; C191-G195 WeakPolarHBondContact O-CA 3.31Å; C191-G195 PolarHBondContact O-N 2.89Å; C191-A196 WeakPolarHBondContact CB-O 3.31Å; C191-A196 PolarHBondContact N-O 3.17Å; C191-H198 WeakPolarHBondContact CB-NE2 3.39Å; C191-H198 PolarHBondContact SG-NE2 3.48Å
192W83.6Confident81.4Confident210 Ų21091.9 Ų91.980%0.79545%0.452SS*.THydrogen-bonded Turntrans-64.6-8.6-18059.3-75.2000115P190 T200P190-W192 PolarHBondContact O-N 3.22Å; P190-W192 VanDerWaalsContact O-N 3.14Å; W192-T200 HydrophobicContact CZ2-CG2 4.34Å; W192-T200 PolarHBondContact NE1-OG1 2.72Å
193L81.1Confident82.6Confident19 Ų1986.6 Ų86.610%0.09943%0.428CS..THydrogen-bonded Turntrans-90.9-29.1176.1-55.1-179.2000113.7C191 T200 C203 K206 G217 K219C191-L193 PolarHBondContact O-N 3.42Å; C191-L193 PolarHBondContact SG-N 3.35Å; L193-T200 HydrophobicContact CD1-CG2 3.59Å; L193-T200 HydrophobicContact CG-CG2 3.86Å; L193-C203 HydrophobicContact CD1-CB 4.12Å; L193-K206 HydrophobicContact CD1-CB 4.09Å; L193-K206 HydrophobicContact CD1-CG 4.37Å; L193-G217 CarbonylContact C-O 3.59Å; L193-G217 WeakPolarHBondContact CA-O 2.9Å; L193-G217 WeakPolarHBondContact CB-O 3.41Å; L193-G217 WeakPolarHBondContact CD2-O 3.43Å; L193-K219 PolarHBondContact O-N 2.95Å; L193-K219 VanDerWaalsContact O-N 3.12Å
194C83.7Confident83.6Confident30 Ų3089.2 Ų89.220%0.20345%0.445CS..THydrogen-bonded Turntrans-142.6-4-171.773.20000116.1C191 A196 H198 Y205 K219C191-C194 PolarHBondContact O-N 3.39Å; C194-A196 VanDerWaalsContact C-N 3.28Å; C194-A196 PolarHBondContact O-N 3.17Å; C194-H198 PolarHBondContact SG-CE1 3.05Å; C194-H198 PolarHBondContact SG-NE2 2.96Å; C194-Y205 HydrophobicContact CB-CD2 3.38Å; C194-Y205 HydrophobicContact CB-CE2 3.88Å; C194-Y205 HydrophobicContact CB-CG 4.14Å; C194-K219 HydrophobicContact CB-CB 4.29Å
195G82.4Confident84.1Confident51 Ų5186.6 Ų86.653%0.52641%0.412SS..SBendtrans79.2-8.8-179.600000116.1P190 C191P190-G195 WeakPolarHBondContact CB-O 3.48Å; C191-G195 WeakPolarHBondContact O-CA 3.31Å; C191-G195 PolarHBondContact O-N 2.89Å
196A86Confident84Confident44 Ų4482.6 Ų82.636%0.36440%0.4SS..SBendtrans-81.2157.6-179.200000113.5C191 C194 H198C191-A196 WeakPolarHBondContact CB-O 3.31Å; C191-A196 PolarHBondContact N-O 3.17Å; C194-A196 VanDerWaalsContact C-N 3.28Å; C194-A196 PolarHBondContact O-N 3.17Å; A196-H198 VanDerWaalsContact C-N 3.34Å; A196-H198 PolarHBondContact O-N 3.45Å
197W86.7Confident83.8Confident156 Ų15679.4 Ų79.459%0.59140%0.398SS*.SBendtrans-82.265.9-175.8-72.195.2000113.9P187P187-W197 HydrophobicContact CG-CE3 4.35Å; P187-W197 VanDerWaalsContact O-CZ3 3.32Å; P187-W197 WeakPolarHBondContact O-CZ3 3.43Å
198H88.3Confident83.3Confident34 Ų3482.6 Ų82.616%0.15741%0.412CS..SBendtrans-137.9156.817156.6-108.1000111C191 C194 A196 T200 C203C191-H198 WeakPolarHBondContact CB-NE2 3.39Å; C191-H198 PolarHBondContact SG-NE2 3.48Å; C194-H198 PolarHBondContact SG-CE1 3.05Å; C194-H198 PolarHBondContact SG-NE2 2.96Å; A196-H198 VanDerWaalsContact C-N 3.34Å; A196-H198 PolarHBondContact O-N 3.45Å; H198-T200 PolarHBondContact O-N 3.35Å; H198-C203 VanDerWaalsContact NE2-CA 3.26Å; H198-C203 WeakPolarHBondContact NE2-CA 3.26Å; H198-C203 WeakPolarHBondContact NE2-CB 3.42Å; H198-C203 PolarHBondContact NE2-SG 2.81Å
199Y86.7Confident82.7Confident90 Ų9076.3 Ų76.335%0.35339%0.391SS..  trans-64135.4172.7-66.5-85.4000110.2P183 R185 P187 R201 F202P183-Y199 HydrophobicContact CB-CE2 4.32Å; P183-Y199 HydrophobicContact CG-CD2 3.54Å; P183-Y199 HydrophobicContact CG-CE2 3.57Å; R185-Y199 VanDerWaalsContact O-CE2 3.29Å; R185-Y199 WeakPolarHBondContact O-CE2 3.39Å; P187-Y199 HydrophobicContact CB-CD1 4Å; P187-Y199 HydrophobicContact CB-CE1 3.97Å; P187-Y199 HydrophobicContact CB-CG 4.32Å; Y199-R201 PolarHBondContact O-N 3.45Å; Y199-F202 HydrophobicContact CD2-CE2 4.4Å; Y199-F202 PolarHBondContact O-N 3.18Å
200T83.9Confident82.1Confident35 Ų3572.3 Ų72.322%0.21537%0.367CS..G310 helixtrans-48.6-32.3-177.2-55.10000114.5W192 L193 H198 F202 C203W192-T200 HydrophobicContact CZ2-CG2 4.34Å; W192-T200 PolarHBondContact NE1-OG1 2.72Å; L193-T200 HydrophobicContact CD1-CG2 3.59Å; L193-T200 HydrophobicContact CG-CG2 3.86Å; H198-T200 PolarHBondContact O-N 3.35Å; T200-F202 PolarHBondContact O-N 2.97Å; T200-C203 WeakPolarHBondContact O-CB 3.5Å; T200-C203 PolarHBondContact O-N 2.78Å
201R84.3Confident81.4Confident164 Ų16476.1 Ų76.162%0.61939%0.39SS*.G310 helixtrans-61.8-23.7177.268.2-177.6179.8-178.30.1114.3Y199Y199-R201 PolarHBondContact O-N 3.45Å
202F85.8Confident80.6Confident57 Ų5786.9 Ų86.925%0.2543%0.43CS..G310 helixtrans-102.610.8177.1-53.4-65.7000112.8P183 Y199 T200 P204P183-F202 HydrophobicContact CG-CE2 3.69Å; P183-F202 HydrophobicContact CG-CZ 4.38Å; Y199-F202 HydrophobicContact CD2-CE2 4.4Å; Y199-F202 PolarHBondContact O-N 3.18Å; T200-F202 PolarHBondContact O-N 2.97Å; F202-P204 WeakPolarHBondContact O-CD 3.47Å
203C85.5Confident80.2Confident7 Ų779.2 Ų79.25%0.04741%0.408CS..  trans-74.3126.3179.6-170.50000110.7L193 H198 T200 Y205 K206L193-C203 HydrophobicContact CD1-CB 4.12Å; H198-C203 VanDerWaalsContact NE2-CA 3.26Å; H198-C203 WeakPolarHBondContact NE2-CA 3.26Å; H198-C203 WeakPolarHBondContact NE2-CB 3.42Å; H198-C203 PolarHBondContact NE2-SG 2.81Å; T200-C203 WeakPolarHBondContact O-CB 3.5Å; T200-C203 PolarHBondContact O-N 2.78Å; C203-Y205 PolarHBondContact O-N 3.42Å; C203-Y205 PolarHBondContact SG-N 3.44Å; C203-Y205 VanDerWaalsContact SG-N 3.43Å; C203-K206 HydrophobicContact CB-CB 4.49Å; C203-K206 VanDerWaalsContact O-CB 3.25Å; C203-K206 WeakPolarHBondContact O-CB 3.39Å; C203-K206 PolarHBondContact O-N 3.14Å
204P82.2Confident79.7Confident101 Ų10180.7 Ų80.766%0.65643%0.428SS*.G310 helixtrans-58.6-26.9172.6-21.932.1000112.9F202 K206F202-P204 WeakPolarHBondContact O-CD 3.47Å; P204-K206 VanDerWaalsContact C-N 3.29Å; P204-K206 PolarHBondContact O-N 3.13Å
205Y77.5Confident78.9Confident58 Ų5883 Ų8323%0.22744%0.438CS..G310 helixtrans-82.3-1.3180-63-83.9000113.4C194 C203 S207 H208 G217 K219C194-Y205 HydrophobicContact CB-CD2 3.38Å; C194-Y205 HydrophobicContact CB-CE2 3.88Å; C194-Y205 HydrophobicContact CB-CG 4.14Å; C203-Y205 PolarHBondContact O-N 3.42Å; C203-Y205 PolarHBondContact SG-N 3.44Å; C203-Y205 VanDerWaalsContact SG-N 3.43Å; Y205-S207 PolarHBondContact O-N 3.43Å; Y205-S207 VanDerWaalsContact O-N 3.12Å; Y205-H208 HydrophobicContact CD1-CB 4Å; Y205-H208 PolarHBondContact O-N 2.89Å; Y205-G217 WeakPolarHBondContact O-CA 3.13Å; Y205-K219 HydrophobicContact CD1-CB 3.99Å; Y205-K219 HydrophobicContact CD1-CG 4.32Å; Y205-K219 HydrophobicContact CD2-CB 4.44Å; Y205-K219 HydrophobicContact CD2-CD 4.47Å; Y205-K219 HydrophobicContact CE1-CB 3.92Å; Y205-K219 HydrophobicContact CE1-CD 3.97Å; Y205-K219 HydrophobicContact CE1-CG 3.73Å; Y205-K219 HydrophobicContact CE2-CB 4.36Å; Y205-K219 HydrophobicContact CE2-CD 3.66Å; Y205-K219 HydrophobicContact CE2-CG 4.26Å; Y205-K219 HydrophobicContact CG-CB 4.26Å; Y205-K219 VanDerWaalsContact OH-CD 3.31Å; Y205-K219 WeakPolarHBondContact OH-CD 3.47Å; Y205-K219 WeakPolarHBondContact OH-CE 3.37Å; Y205-K219 PolarHBondContact OH-NZ 3.49Å
206K75.2Confident78.1Confident122 Ų12287.2 Ų87.253%0.5345%0.446SS..G310 helixtrans-56.9-30.6-177.8-169.6-177.3177.9-164.80113.8L193 C203 P204L193-K206 HydrophobicContact CD1-CB 4.09Å; L193-K206 HydrophobicContact CD1-CG 4.37Å; C203-K206 HydrophobicContact CB-CB 4.49Å; C203-K206 VanDerWaalsContact O-CB 3.25Å; C203-K206 WeakPolarHBondContact O-CB 3.39Å; C203-K206 PolarHBondContact O-N 3.14Å; P204-K206 VanDerWaalsContact C-N 3.29Å; P204-K206 PolarHBondContact O-N 3.13Å
207S74.7Confident76.9Confident101 Ų10185.1 Ų85.171%0.70643%0.429SS*.G310 helixtrans-110.29.3176.5540000113.6Y205 V209Y205-S207 PolarHBondContact O-N 3.43Å; Y205-S207 VanDerWaalsContact O-N 3.12Å; S207-V209 PolarHBondContact O-N 3.14Å
208H76.1Confident75.7Confident80 Ų8080.4 Ų80.437%0.3741%0.413SS..  trans-82.4112.4-179.2179.1-81.8000110.4Y205 M216 G217Y205-H208 HydrophobicContact CD1-CB 4Å; Y205-H208 PolarHBondContact O-N 2.89Å; H208-M216 CarbonylContact O-C 3.59Å; H208-M216 WeakPolarHBondContact O-CA 3.49Å; H208-G217 PolarHBondContact O-N 3.01Å
209V74.4Confident74.2Confident80 Ų8084.3 Ų84.349%0.48543%0.43SS..BIsolated β-bridgetrans-81.9124.4172.1179.30000108.8S207 T211 G214 M216S207-V209 PolarHBondContact O-N 3.14Å; V209-T211 PolarHBondContact O-N 3.39Å; V209-G214 WeakPolarHBondContact CG1-O 3.29Å; V209-M216 HydrophobicContact CG2-CG 3.83Å
210C72.9Confident72.9Confident15 Ų1583.6 Ų83.610%0.10145%0.45CS..  trans-67.6123.6177.6-1760000110.5R212 C213 G214 D215 C222C210-R212 PolarHBondContact O-N 3.09Å; C210-R212 VanDerWaalsContact O-N 3.11Å; C210-C213 VanDerWaalsContact CB-SG 3.59Å; C210-C213 PolarHBondContact O-N 3.04Å; C210-G214 WeakPolarHBondContact O-CA 3.27Å; C210-G214 PolarHBondContact O-N 3.41Å; C210-D215 PolarHBondContact N-O 3.13Å; C210-C222 PolarHBondContact SG-SG 2.86Å
211T73.7Confident71.6Confident142 Ų14290.7 Ų90.787%0.87148%0.478SS*.THydrogen-bonded Turntrans-64.2-15.2179.146.50000114.1V209V209-T211 PolarHBondContact O-N 3.39Å
212R68.2Low70.5Confident229 Ų22985.1 Ų85.186%0.86446%0.464SS*.THydrogen-bonded Turntrans-96.7-34.2179.9-67.1-174.3-174.9-178.41.4114.6C210C210-R212 PolarHBondContact O-N 3.09Å; C210-R212 VanDerWaalsContact O-N 3.11Å
213C75.7Confident69.1Low48 Ų4886.2 Ų86.232%0.32448%0.476SS..THydrogen-bonded Turntrans-121.1-8.7-176.867.50000115C210 D215 C222C210-C213 VanDerWaalsContact CB-SG 3.59Å; C210-C213 PolarHBondContact O-N 3.04Å; C213-D215 PolarHBondContact O-N 3.19Å; C213-D215 PolarHBondContact SG-OD2 3.39Å; C213-D215 VanDerWaalsContact SG-OD2 3.38Å; C213-C222 HydrophobicContact CB-CB 4.49Å; C213-C222 PolarHBondContact SG-SG 3.05Å
214G69.5Low67.7Low51 Ų5191.6 Ų91.653%0.52651%0.512SS..  trans74.5-3.9-177.500000114.9V209 C210V209-G214 WeakPolarHBondContact CG1-O 3.29Å; C210-G214 WeakPolarHBondContact O-CA 3.27Å; C210-G214 PolarHBondContact O-N 3.41Å
215D66.3Low66.3Low79 Ų7991 Ų9142%0.42252%0.515SS..  trans-76.5140.5178.8-63.5-48000111.7C210 C213C210-D215 PolarHBondContact N-O 3.13Å; C213-D215 PolarHBondContact O-N 3.19Å; C213-D215 PolarHBondContact SG-OD2 3.39Å; C213-D215 VanDerWaalsContact SG-OD2 3.38Å
216M67.3Low64.7Low138 Ų13898.2 Ų98.268%0.6855%0.548SS*.BIsolated β-bridgetrans-74.5132.1173-81.2-173.2-78.200111.4H208 V209H208-M216 CarbonylContact O-C 3.59Å; H208-M216 WeakPolarHBondContact O-CA 3.49Å; V209-M216 HydrophobicContact CG2-CG 3.83Å
217G61.2Low63Low1 Ų198.9 Ų98.91%0.0156%0.562CS.*SBendtrans82.340.9161.700000116.6L193 Y205 H208L193-G217 CarbonylContact C-O 3.59Å; L193-G217 WeakPolarHBondContact CA-O 2.9Å; L193-G217 WeakPolarHBondContact CB-O 3.41Å; L193-G217 WeakPolarHBondContact CD2-O 3.43Å; Y205-G217 WeakPolarHBondContact O-CA 3.13Å; H208-G217 PolarHBondContact O-N 3.01Å
218Q60.9Low61.3Low56 Ų56102 Ų10226%0.26257%0.57SS.*  trans-119.7119.4168.3-64.8-177.42.200110.9F221Q218-F221 PolarHBondContact OE1-O 3.2Å
219K56.6Low59.5Low117 Ų117103.3 Ų103.351%0.50959%0.586SS.*SBendtrans-90.4105.6167.5-169.9-170.5-173.9160.60109.7L193 C194 Y205 F221L193-K219 PolarHBondContact O-N 2.95Å; L193-K219 VanDerWaalsContact O-N 3.12Å; C194-K219 HydrophobicContact CB-CB 4.29Å; Y205-K219 HydrophobicContact CD1-CB 3.99Å; Y205-K219 HydrophobicContact CD1-CG 4.32Å; Y205-K219 HydrophobicContact CD2-CB 4.44Å; Y205-K219 HydrophobicContact CD2-CD 4.47Å; Y205-K219 HydrophobicContact CE1-CB 3.92Å; Y205-K219 HydrophobicContact CE1-CD 3.97Å; Y205-K219 HydrophobicContact CE1-CG 3.73Å; Y205-K219 HydrophobicContact CE2-CB 4.36Å; Y205-K219 HydrophobicContact CE2-CD 3.66Å; Y205-K219 HydrophobicContact CE2-CG 4.26Å; Y205-K219 HydrophobicContact CG-CB 4.26Å; Y205-K219 VanDerWaalsContact OH-CD 3.31Å; Y205-K219 WeakPolarHBondContact OH-CD 3.47Å; Y205-K219 WeakPolarHBondContact OH-CE 3.37Å; Y205-K219 PolarHBondContact OH-NZ 3.49Å; K219-F221 PolarHBondContact O-N 3.38Å
220G58.7Low57.6Low75 Ų75105.4 Ų105.477%0.77360%0.603SS**SBendtrans81.2-3.1160.500000118.1
221F56.9Low56Low183 Ų183109.5 Ų109.580%0.80363%0.63SS**  trans-130.295.7173.8-78.3-91.8000110.1Q218 K219Q218-F221 PolarHBondContact OE1-O 3.2Å; K219-F221 PolarHBondContact O-N 3.38Å
222C62.3Low54.4Low48 Ų48111.9 Ų111.932%0.32463%0.628SS.*PPolyproline II helixtrans-75.9126161-73.30000107.7C210 C213C210-C222 PolarHBondContact SG-SG 2.86Å; C213-C222 HydrophobicContact CB-CB 4.49Å; C213-C222 PolarHBondContact SG-SG 3.05Å
223P56.3Low53.1Low79 Ų79111.9 Ų111.951%0.51363%0.628SS.*PPolyproline II helixtrans-57.4137.5167.124.2-30.8000108.5A225P223-A225 PolarHBondContact O-N 3.17Å
224P56Low51.1Low121 Ų121119.8 Ų119.879%0.78666%0.657SS**PPolyproline II helixtrans-55.2135.9174.821.5-29.9000108.9K226P224-K226 PolarHBondContact O-N 2.88Å
225A51.3Low49.9Very low88 Ų88123.8 Ų123.873%0.72767%0.671SS**  trans-45.2138-176.600000110.9P223 T227P223-A225 PolarHBondContact O-N 3.17Å; A225-T227 VanDerWaalsContact C-N 3.28Å; A225-T227 PolarHBondContact O-N 3.32Å
226K44.2Very low48.5Very low210 Ų210124.7 Ų124.791%0.91368%0.683SS**  trans-53.781.6-176.3-60.4172.1-176.6174.10111.9P224P224-K226 PolarHBondContact O-N 2.88Å
227T40.9Very low47.3Very low135 Ų135126.1 Ų126.183%0.82869%0.693SS**  trans-84.1108.8158.333.60000107.4A225A225-T227 VanDerWaalsContact C-N 3.28Å; A225-T227 PolarHBondContact O-N 3.32Å
228L39.1Very low46.2Very low168 Ų168136.9 Ų136.988%0.8873%0.733SS**  trans-52.7149.1174.4-83.6142.7000111.5
229P36.7Very low45.3Very low107 Ų107143.5 Ų143.570%0.69576%0.761SS**  trans-100.1154.9-148.237.4-33.3000113.1
230S36.1Very low44.4Very low123 Ų123146.3 Ų146.386%0.8677%0.773SS**  trans-155.7153.4158.7-90.10000113
231P39.2Very low43.5Very low102 Ų102152.4 Ų152.466%0.66278%0.779SS**  -108.3158.3-129.738.9-34.1000111.9
232K39.7Very low42.9Very low192 Ų192151.5 Ų151.584%0.83578%0.777SS**  trans169.1145.9135.4-93153.9-166179.50113.6
233R40.1Very low42.1Very low229 Ų229158.2 Ų158.286%0.86480%0.804SS**  trans8892.3149.9-74.4167.2177.4-175.5-1.4118.8
234K34.1Very low41.3Very low213 Ų213166 Ų16693%0.92682%0.823SS**  trans-50.3133150.9-65.9177.1175.51790111
235V43.7Very low40.4Very low135 Ų135164 Ų16482%0.81882%0.824SS**  trans-128.3133.1156.71770000108
236S37.5Very low40.2Very low98 Ų98164.6 Ų164.669%0.68583%0.829SS**  trans-74.5145-172.962.50000113.4
237L42.6Very low40Very low168 Ų168164.6 Ų164.688%0.8883%0.829SS**  trans-127.8103.1146.2-96.699000110.3
238R37.5Very low40.7Very low228 Ų228164.6 Ų164.686%0.8683%0.829SS**  trans-61.4133.4157.1-86.1174.3162175.9-5.2108.9
239K41.2Very low41.3Very low194 Ų194163 Ų16384%0.84383%0.826SS**  trans-129.2121.6144.7-89.6-174.8178.4176.70110
240K39Very low42.1Very low176 Ų176163.9 Ų163.977%0.76583%0.832SS**  trans-63.5138.3173.7-69.5168171.1175.80109.8
241F39.3Very low42.4Very low203 Ų203169.3 Ų169.389%0.8983%0.833SS**  trans-134.8110.5143.9-87.9-83.7000107.9
242Q44.2Very low42.9Very low164 Ų164170.7 Ų170.777%0.76684%0.84SS**  trans-76.5139.7161.5-66.1173.3-31.200106.6
243H44.8Very low42.7Very low190 Ų190166.8 Ų166.888%0.8884%0.837SS**  trans-165.5152.4132.2-92.4-62.6000110.7
244R40.9Very low42.9Very low243 Ų243160 Ų16092%0.91783%0.825SS**  trans-77.7137.2-159.2-69.2165.4169.6-164.9-3113.9
245G37Very low43.3Very low79 Ų79156.7 Ų156.781%0.81482%0.822SS**  57.1111.4116.200000120.3
246A45.7Very low43.5Very low99 Ų99159 Ų15982%0.81882%0.818SS**  trans-159.7134.3130.100000109.5
247K41.7Very low43.4Very low211 Ų211163.5 Ų163.592%0.91783%0.828SS**  trans-80.5123.3-177.9-63.7171.7178.8177.90109.3
248T54.9Low43.2Very low134 Ų134161.6 Ų161.682%0.82282%0.818SS**  trans-138138.2160.456.20000109.5
249T51.6Low43Very low136 Ų136155.1 Ų155.183%0.83481%0.807SS**PPolyproline II helixtrans-70.3135.9-174.444.30000111R251T249-R251 PolarHBondContact O-N 3.26Å
250P54.1Low43Very low125 Ų125151.6 Ų151.681%0.81281%0.807SS**PPolyproline II helixtrans-81.1120.2177.430.9-29.1000109.9
251R40.9Very low42.9Very low236 Ų236148.7 Ų148.789%0.89180%0.804SS**PPolyproline II helixtrans-79.6119.3166-166.6174.8-178.7155-0.5107.1T249 S253T249-R251 PolarHBondContact O-N 3.26Å; R251-S253 PolarHBondContact O-N 3.4Å
252V49.5Very low42.6Very low131 Ų131143 Ų14379%0.79479%0.79SS**  trans-72.1110.8-178178.90000109.5
253S36.6Very low42.4Very low111 Ų111141.1 Ų141.178%0.77679%0.794SS**  trans-120.273.1170.9-79.20000109.7R251R251-S253 PolarHBondContact O-N 3.4Å
254S43.7Very low42Very low87 Ų87138 Ų13861%0.60878%0.784SS**  trans178.491.6146.6620000108.8Y256S254-Y256 PolarHBondContact O-N 3.31Å
255T43.5Very low42.2Very low143 Ų143131.8 Ų131.888%0.87777%0.773SS**  trans-70.8119156.327.50000107.2
256Y47.1Very low42.7Very low183 Ų183137.5 Ų137.572%0.71877%0.771SS**  trans-91.6123.2159.150.9-75.3000105.6S254 L258S254-Y256 PolarHBondContact O-N 3.31Å; Y256-L258 HydrophobicContact CD2-CD1 3.56Å; Y256-L258 HydrophobicContact CE2-CD1 3.22Å; Y256-L258 HydrophobicContact CE2-CG 4.37Å; Y256-L258 PolarHBondContact O-N 2.98Å
257E35.9Very low43.1Very low192 Ų192136.6 Ų136.690%0.89776%0.756SS**  trans-62.7105.8163.3-79.4-176.2156.500106.5S259E257-S259 PolarHBondContact O-N 2.9Å
258L37.6Very low43.7Very low128 Ų128135 Ų13567%0.6774%0.744SS**  trans-58.6120.4148.9-88.987.3000104.5Y256 S260Y256-L258 HydrophobicContact CD2-CD1 3.56Å; Y256-L258 HydrophobicContact CE2-CD1 3.22Å; Y256-L258 HydrophobicContact CE2-CG 4.37Å; Y256-L258 PolarHBondContact O-N 2.98Å; L258-S260 PolarHBondContact O-N 3.2Å
259S34.5Very low44Very low92 Ų92133.9 Ų133.964%0.64373%0.73SS**  trans-12.1119.8165.352.20000111.6E257 V261E257-S259 PolarHBondContact O-N 2.9Å; S259-V261 PolarHBondContact O-N 2.87Å
260S40.4Very low44.9Very low120 Ų120131.8 Ų131.884%0.83971%0.712SS**  trans-51.897.3169.145.40000108.1L258 S262L258-S260 PolarHBondContact O-N 3.2Å; S260-S262 VanDerWaalsContact C-N 3.3Å; S260-S262 PolarHBondContact O-N 2.88Å
261V36.7Very low45.7Very low116 Ų116129.4 Ų129.470%0.70370%0.699SS**  trans-69.2105.1165.4178.80000101.8S259 S263S259-V261 PolarHBondContact O-N 2.87Å; V261-S263 PolarHBondContact O-N 2.9Å
262S33.8Very low47.4Very low84 Ų84121.2 Ų121.259%0.58768%0.675SS**  trans-45.3115.7163.252.70000105.8S260 N264S260-S262 VanDerWaalsContact C-N 3.3Å; S260-S262 PolarHBondContact O-N 2.88Å; S262-N264 PolarHBondContact O-N 2.71Å
263S38.9Very low48.6Very low123 Ų123120.3 Ų120.386%0.8667%0.665SS**SBendtrans-68.132.2-177.928.70000112.8V261V261-S263 PolarHBondContact O-N 2.9Å
264N37.6Very low50.2Low124 Ų124119.3 Ų119.366%0.66365%0.65SS**  trans-113.3134.5168-62.3-18.6000105.5S262S262-N264 PolarHBondContact O-N 2.71Å
265V44Very low51.1Low114 Ų114124.1 Ų124.169%0.69166%0.663SS**SBendtrans94.184.8170.1-163.70000114.6
266Y48.4Very low52.5Low198 Ų198127.3 Ų127.378%0.77667%0.665SS**  -174.844.9118.5-92.6-69.4000110.3R268Y266-R268 PolarHBondContact O-N 3.43Å
267T53.4Low53.1Low81 Ų81126 Ų12650%0.49766%0.663SS.*  trans-65.1103.1158.925.50000107.6H269 Q282T267-H269 PolarHBondContact O-N 2.81Å; T267-Q282 HydrophobicContact CG2-CG 3.86Å
268R54.5Low54.9Low177 Ų177121.3 Ų121.367%0.66865%0.647SS**  trans-77124172.3-82.2-174.6179.1-179.72.1108.2Y266 T283Y266-R268 PolarHBondContact O-N 3.43Å; R268-T283 WeakPolarHBondContact CB-OG1 3.23Å; R268-T283 PolarHBondContact O-N 2.86Å; R268-T283 PolarHBondContact O-OG1 2.94Å
269H61.5Low56.8Low111 Ų111117.7 Ų117.751%0.51463%0.63SS.*EExtended strand (participates in β ladder)trans-100.1131.2174-66.6145.9000109T267 T280 F281T267-H269 PolarHBondContact O-N 2.81Å; H269-T280 HydrophobicContact CB-CG2 3.57Å; H269-F281 CarbonylContact C-O 3.5Å; H269-F281 VanDerWaalsContact CA-O 3.26Å; H269-F281 WeakPolarHBondContact CA-O 3.45Å
270I71.2Confident58.4Low92 Ų92117 Ų11747%0.47262%0.623SS.*EExtended strand (participates in β ladder)trans-106.9116.5169.2-63.6176.3000106.8V272 F281 T283I270-V272 HydrophobicContact CG2-CG2 4Å; I270-F281 PolarHBondContact N-O 3.26Å; I270-F281 PolarHBondContact O-N 2.72Å; I270-T283 HydrophobicContact CD1-CG2 3.31Å; I270-T283 HydrophobicContact CG1-CG2 3.69Å
271S69.8Low59.9Low75 Ų75116 Ų11652%0.52460%0.603SS.*EExtended strand (participates in β ladder)trans-92.4122.9172.8-60.60000109.7V279 T280S271-V279 CarbonylContact C-O 3.58Å; S271-V279 WeakPolarHBondContact CA-O 3.47Å; S271-T280 PolarHBondContact OG-OG1 2.8Å
272V76Confident61.4Low64 Ų64116.2 Ų116.239%0.38860%0.597SS.*EExtended strand (participates in β ladder)trans-115.3137.1173.6-1720000108.3I270 I274 V279 F281I270-V272 HydrophobicContact CG2-CG2 4Å; V272-I274 HydrophobicContact CG1-CG1 4.09Å; V272-V279 PolarHBondContact N-O 2.88Å; V272-V279 PolarHBondContact O-N 2.86Å; V272-F281 HydrophobicContact CB-CD2 4.45Å; V272-F281 HydrophobicContact CB-CE2 3.98Å; V272-F281 HydrophobicContact CG2-CD2 3.97Å; V272-F281 HydrophobicContact CG2-CE2 3.88Å
273N74.9Confident62.7Low112 Ų112114.6 Ų114.660%0.59958%0.583SS**EExtended strand (participates in β ladder)trans-94.4112.9177.3-161.8-9.9000109.1K277N273-K277 PolarHBondContact OD1-N 2.88Å; N273-K277 PolarHBondContact OD1-O 2.85Å
274I71.2Confident64Low90 Ų90115.3 Ų115.346%0.46258%0.577SS.*EExtended strand (participates in β ladder)trans-120.7119.2177.9-55.5175.7000106.6V272 K276 K277V272-I274 HydrophobicContact CG1-CG1 4.09Å; I274-K276 PolarHBondContact O-N 3.03Å; I274-K277 PolarHBondContact N-O 3.23Å; I274-K277 WeakPolarHBondContact O-CB 3.48Å; I274-K277 PolarHBondContact O-N 3.13Å; I274-K277 VanDerWaalsContact O-O 3.13Å
275E63.3Low64.8Low188 Ų188114.5 Ų114.588%0.87958%0.577SS**THydrogen-bonded Turntrans50.249.5176.3-61.4-174.3162.800115.1K277E275-K277 PolarHBondContact O-N 3.06Å
276K72.8Confident65.3Low209 Ų209112.5 Ų112.591%0.90958%0.579SS**THydrogen-bonded Turntrans64.810.3-177.1-55.2177.6178.3175.50114.9I274I274-K276 PolarHBondContact O-N 3.03Å
277K59.2Low65.6Low155 Ų155107.4 Ų107.467%0.67457%0.573SS**EExtended strand (participates in β ladder)trans-111.9126.4174-158.6173.3-177.3179.60109.7N273 I274 E275 V279N273-K277 PolarHBondContact OD1-N 2.88Å; N273-K277 PolarHBondContact OD1-O 2.85Å; I274-K277 PolarHBondContact N-O 3.23Å; I274-K277 WeakPolarHBondContact O-CB 3.48Å; I274-K277 PolarHBondContact O-N 3.13Å; I274-K277 VanDerWaalsContact O-O 3.13Å; E275-K277 PolarHBondContact O-N 3.06Å; K277-V279 PolarHBondContact O-N 2.99Å
278V74Confident65.3Low95 Ų95110.7 Ų110.758%0.57659%0.587SS**EExtended strand (participates in β ladder)trans-80.5116.2174.1-179.60000108.1
279V77.8Confident64.9Low52 Ų52109.8 Ų109.832%0.31560%0.596SS.*EExtended strand (participates in β ladder)trans-107.6126.2174.9-176.40000108.2S271 V272 K277 F281S271-V279 CarbonylContact C-O 3.58Å; S271-V279 WeakPolarHBondContact CA-O 3.47Å; V272-V279 PolarHBondContact N-O 2.88Å; V272-V279 PolarHBondContact O-N 2.86Å; K277-V279 PolarHBondContact O-N 2.99Å; V279-F281 HydrophobicContact CB-CE2 4.01Å; V279-F281 HydrophobicContact CB-CZ 4.28Å; V279-F281 HydrophobicContact CG1-CD2 4.35Å; V279-F281 HydrophobicContact CG1-CE1 4.21Å; V279-F281 HydrophobicContact CG1-CE2 3.69Å; V279-F281 HydrophobicContact CG1-CZ 3.62Å
280T67Low64.1Low78 Ų78112.1 Ų112.148%0.47961%0.606SS.*EExtended strand (participates in β ladder)trans-105.7117.4-177-52.60000109.3H269 S271H269-T280 HydrophobicContact CB-CG2 3.57Å; S271-T280 PolarHBondContact OG-OG1 2.8Å
281F70.9Confident62.2Low99 Ų99115.6 Ų115.643%0.43463%0.625SS.*EExtended strand (participates in β ladder)trans-99.4131.8178.9-61.6-88.9000109.9H269 I270 V272 V279H269-F281 CarbonylContact C-O 3.5Å; H269-F281 VanDerWaalsContact CA-O 3.26Å; H269-F281 WeakPolarHBondContact CA-O 3.45Å; I270-F281 PolarHBondContact N-O 3.26Å; I270-F281 PolarHBondContact O-N 2.72Å; V272-F281 HydrophobicContact CB-CD2 4.45Å; V272-F281 HydrophobicContact CB-CE2 3.98Å; V272-F281 HydrophobicContact CG2-CD2 3.97Å; V272-F281 HydrophobicContact CG2-CE2 3.88Å; V279-F281 HydrophobicContact CB-CE2 4.01Å; V279-F281 HydrophobicContact CB-CZ 4.28Å; V279-F281 HydrophobicContact CG1-CD2 4.35Å; V279-F281 HydrophobicContact CG1-CE1 4.21Å; V279-F281 HydrophobicContact CG1-CE2 3.69Å; V279-F281 HydrophobicContact CG1-CZ 3.62Å
282Q68.9Low60.5Low120 Ų120117.9 Ų117.956%0.56164%0.64SS**EExtended strand (participates in β ladder)trans-82.3122.5167.4-175.1176.6-31.900108.7T267 D284T267-Q282 HydrophobicContact CG2-CG 3.86Å; Q282-D284 PolarHBondContact O-N 3.41Å; Q282-D284 VanDerWaalsContact O-N 3.13Å
283T62.3Low58.5Low50 Ų50119.6 Ų119.631%0.30765%0.652SS.*  trans-76.4102.4175.154.60000109R268 I270 T285R268-T283 WeakPolarHBondContact CB-OG1 3.23Å; R268-T283 PolarHBondContact O-N 2.86Å; R268-T283 PolarHBondContact O-OG1 2.94Å; I270-T283 HydrophobicContact CD1-CG2 3.31Å; I270-T283 HydrophobicContact CG1-CG2 3.69Å; T283-T285 PolarHBondContact O-N 3.43Å
284D64.5Low56.4Low138 Ų138121.3 Ų121.374%0.73866%0.661SS**  trans-76.4107.4176.3-153.8-4.2000109.3Q282 G286Q282-D284 PolarHBondContact O-N 3.41Å; Q282-D284 VanDerWaalsContact O-N 3.13Å; D284-G286 PolarHBondContact O-N 3.2Å
285T54.3Low54.7Low107 Ų107125.6 Ų125.666%0.65668%0.684SS**  trans-97.979.2179.8-38.30000105.5T283 S287T283-T285 PolarHBondContact O-N 3.43Å; T285-S287 VanDerWaalsContact O-CB 3.31Å; T285-S287 WeakPolarHBondContact O-CB 3.27Å; T285-S287 PolarHBondContact O-N 3.49Å; T285-S287 PolarHBondContact O-OG 3.3Å
286G55.4Low53.3Low71 Ų71125.8 Ų125.873%0.73269%0.685SS**SBendtrans-42.771.3-16600000117.5D284D284-G286 PolarHBondContact O-N 3.2Å
287S55Low51.6Low92 Ų92119.7 Ų119.764%0.64367%0.673SS**  trans-122.77.2-174.5-42.40000111.7T285T285-S287 VanDerWaalsContact O-CB 3.31Å; T285-S287 WeakPolarHBondContact O-CB 3.27Å; T285-S287 PolarHBondContact O-N 3.49Å; T285-S287 PolarHBondContact O-OG 3.3Å
288D47.3Very low50.5Low149 Ų149118.7 Ų118.780%0.79768%0.681SS**  trans-109.721.9-175.7-101.6-8.4000113.8H290D288-H290 PolarHBondContact O-N 3.12Å
289D46.4Very low49.2Very low159 Ų159125.4 Ų125.485%0.8570%0.696SS**  trans-81.871.1170.6-76-25.9000111
290H43.3Very low47.5Very low160 Ų160130.9 Ų130.974%0.74172%0.722SS**  trans-113.2103.7163-77.1-48.6000110.1D288D288-H290 PolarHBondContact O-N 3.12Å
291L32Very low46.1Very low165 Ų165133.3 Ų133.386%0.86474%0.737SS**  trans29.9106.2156.9-74.299.7000117.7
292C33.7Very low44.8Very low123 Ų123133.5 Ų133.583%0.83176%0.757SS**  trans-135.6112.2146.8-1430000108.6
293P33.8Very low43.5Very low100 Ų100134 Ų13465%0.64977%0.768SS**  trans-77.7145.6163.433.2-27.1000108.5
294D30.5Very low42.4Very low147 Ų147146.1 Ų146.179%0.78681%0.811SS**  trans67.695.2167.3-53.2-30.8000117
295L35.8Very low41.3Very low180 Ų180146.6 Ų146.694%0.94281%0.814SS**  trans-167.3125.6136.4-98.7143.8000109.8
296E34.9Very low40.6Very low193 Ų193148.6 Ų148.690%0.90282%0.822SS**  trans-56.5131.9-172.9-65.9-169.6132.800113.7T298E296-T298 PolarHBondContact O-N 3.44Å
297A35.6Very low39.8Very low80 Ų80152.9 Ų152.966%0.66183%0.828SS**  trans-72.4108175.200000111.2
298T37.4Very low38.9Very low135 Ų135156.5 Ų156.583%0.82884%0.838SS**  trans-99.397.6158.317.60000108.6E296 L300E296-T298 PolarHBondContact O-N 3.44Å; T298-L300 PolarHBondContact O-N 3.25Å
299W46.9Very low38.4Very low236 Ų236157 Ų15789%0.89484%0.841SS**  trans-83.6106.2167.5-67.9100.7000108.8T301W299-T301 PolarHBondContact O-N 3.4Å
300L40.7Very low37.9Very low167 Ų167156.9 Ų156.987%0.87484%0.84SS**  trans-72.6116.8169.8-79.7166.7000110T298T298-L300 PolarHBondContact O-N 3.25Å
301T38.1Very low37.5Very low129 Ų129156.6 Ų156.679%0.79185%0.847SS**  trans-59.4123160.442.90000110.5W299W299-T301 PolarHBondContact O-N 3.4Å
302A43Very low37.9Very low102 Ų102156 Ų15684%0.84385%0.846SS**  trans-111.3100.1162.500000108.7
303T42.1Very low38.3Very low130 Ų130158.8 Ų158.880%0.79885%0.847SS**  trans-63.7133.1161410000110.4
304Y40.3Very low38.7Very low306 Ų306164.1 Ų164.1100%1.287%0.865SS**  trans-123.20149.2-116.8-87.1000107.6

Retrieved 304 of 304 residues in 283.4 ms (Link to these results)

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