A0A061I0M7_CRIGR Loading...

DNA repair protein RAD51 homolog 3

AlphaFold DB , UniProt , Accession A0A061I0M7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 366 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
1M47.9Very low79.5Confident241 Ų24177.6 Ų77.6100%1.18741%0.411SS*.  0119.30-94.2-179.6-169.100107.5R3M1-R3 PolarHBondContact O-N 3.38Å
2Q63.7Low80.1Confident122 Ų12279.7 Ų79.757%0.5743%0.432SS*.PPolyproline II helixtrans-69.7118.4174-75.2172.6-22.800108.5T25 E27Q2-T25 HydrophobicContact CB-CG2 4Å; Q2-E27 WeakPolarHBondContact CG-OE2 3.33Å; Q2-E27 PolarHBondContact NE2-OE2 2.69Å
3R79.8Confident80.8Confident70 Ų7080.7 Ų80.726%0.26444%0.443SS..PPolyproline II helixtrans-83.6125.1180-175172.7169.8-174.1-12.1108.8M1 S7 F8 A26 E58 D62M1-R3 PolarHBondContact O-N 3.38Å; R3-S7 WeakPolarHBondContact CG-OG 3.31Å; R3-S7 PolarHBondContact NE-OG 3.45Å; R3-S7 PolarHBondContact NH2-O 3.29Å; R3-F8 HydrophobicContact CB-CE2 4.2Å; R3-F8 HydrophobicContact CB-CZ 4.31Å; R3-F8 HydrophobicContact CG-CE2 3.73Å; R3-F8 HydrophobicContact CG-CZ 3.98Å; R3-A26 PolarHBondContact O-N 3.45Å; R3-E58 PolarHBondContact NH1-O 2.95Å; R3-D62 IonicContact CZ-OD2 3.69Å; R3-D62 IonicContact NH1-OD2 3.68Å; R3-D62 PolarHBondContact NH1-OD2 3.5Å
4E85.3Confident81.4Confident129 Ų12975.2 Ų75.260%0.60341%0.413SS*.BIsolated β-bridgetrans-66.3140.7-179.5-66.1-176.2178.100111.7V6 S7 F8 Q24E4-V6 PolarHBondContact O-N 3.07Å; E4-V6 VanDerWaalsContact O-N 3.13Å; E4-S7 WeakPolarHBondContact O-CB 3.5Å; E4-S7 PolarHBondContact O-N 3.33Å; E4-S7 PolarHBondContact O-OG 3.38Å; E4-F8 WeakPolarHBondContact O-CD2 3.2Å; E4-F8 WeakPolarHBondContact O-CE2 3.49Å; E4-Q24 WeakPolarHBondContact CA-O 3.48Å
5L82.8Confident81.9Confident2 Ų274.7 Ų74.71%0.0140%0.402CS..G310 helixtrans-60.4-24.4179.3-72.5171000113.1S7 F8 F23 Q24 T25 V29 V55L5-S7 PolarHBondContact O-N 3.31Å; L5-F8 HydrophobicContact CD2-CD2 4.45Å; L5-F8 PolarHBondContact O-N 3.37Å; L5-F8 VanDerWaalsContact O-N 3.16Å; L5-F23 HydrophobicContact CD1-CB 3.74Å; L5-F23 WeakPolarHBondContact CD1-O 3.31Å; L5-Q24 PolarHBondContact N-O 3.13Å; L5-T25 WeakPolarHBondContact CG-O 3.39Å; L5-V29 HydrophobicContact CD1-CG2 3.6Å; L5-V29 HydrophobicContact CD2-CB 4.45Å; L5-V29 HydrophobicContact CD2-CG2 3.85Å; L5-V29 HydrophobicContact CG-CG2 4.33Å; L5-V55 HydrophobicContact CD2-CG2 4.07Å
6V81.7Confident82.5Confident80 Ų8076.5 Ų76.549%0.48542%0.416SS..G310 helixtrans-63.3-25.5176.7-173.50000111.8E4 F8 R15E4-V6 PolarHBondContact O-N 3.07Å; E4-V6 VanDerWaalsContact O-N 3.13Å; V6-F8 VanDerWaalsContact C-N 3.3Å; V6-F8 PolarHBondContact O-N 3.33Å; V6-R15 PolarHBondContact O-NH1 2.78Å
7S82.9Confident83Confident58 Ų5876.7 Ų76.741%0.40641%0.412SS..G310 helixtrans-81.8-3178.673.80000114.5R3 E4 L5R3-S7 WeakPolarHBondContact CG-OG 3.31Å; R3-S7 PolarHBondContact NE-OG 3.45Å; R3-S7 PolarHBondContact NH2-O 3.29Å; E4-S7 WeakPolarHBondContact O-CB 3.5Å; E4-S7 PolarHBondContact O-N 3.33Å; E4-S7 PolarHBondContact O-OG 3.38Å; L5-S7 PolarHBondContact O-N 3.31Å
8F85.8Confident83.3Confident3 Ų372.4 Ų72.41%0.01339%0.389CS..SBendtrans-95.1150179.7-68.2-96.8000111.2R3 E4 L5 V6 L10 R15 A26 V55 E58R3-F8 HydrophobicContact CB-CE2 4.2Å; R3-F8 HydrophobicContact CB-CZ 4.31Å; R3-F8 HydrophobicContact CG-CE2 3.73Å; R3-F8 HydrophobicContact CG-CZ 3.98Å; E4-F8 WeakPolarHBondContact O-CD2 3.2Å; E4-F8 WeakPolarHBondContact O-CE2 3.49Å; L5-F8 HydrophobicContact CD2-CD2 4.45Å; L5-F8 PolarHBondContact O-N 3.37Å; L5-F8 VanDerWaalsContact O-N 3.16Å; V6-F8 VanDerWaalsContact C-N 3.3Å; V6-F8 PolarHBondContact O-N 3.33Å; F8-L10 HydrophobicContact CB-CD1 4.29Å; F8-L10 HydrophobicContact CB-CG 4Å; F8-L10 PolarHBondContact O-N 2.68Å; F8-R15 PolarHBondContact O-NH2 3.33Å; F8-A26 HydrophobicContact CE2-CB 3.76Å; F8-A26 HydrophobicContact CZ-CB 3.54Å; F8-V55 HydrophobicContact CD1-CB 4.27Å; F8-V55 HydrophobicContact CD1-CG1 4.38Å; F8-V55 HydrophobicContact CD1-CG2 4.05Å; F8-V55 HydrophobicContact CE1-CB 4.25Å; F8-V55 HydrophobicContact CE1-CG1 3.94Å; F8-V55 HydrophobicContact CE1-CG2 4.43Å; F8-V55 HydrophobicContact CG-CG2 4.21Å; F8-V55 HydrophobicContact CZ-CG1 4.11Å; F8-E58 HydrophobicContact CD1-CB 3.62Å; F8-E58 HydrophobicContact CD1-CG 4.21Å; F8-E58 HydrophobicContact CE1-CB 3.59Å
9P87.3Confident83.6Confident82 Ų8272.4 Ų72.453%0.53239%0.392SS..  trans-78.557.7179.833.2-34.6000111.6I54 E58P9-I54 HydrophobicContact CG-CG2 3.68Å; P9-E58 HydrophobicContact CG-CG 4.32Å
10L88.6Confident83.9Confident9 Ų973.2 Ų73.25%0.04741%0.409CS..  trans-91.2148.1175.8-59.6176.8000110.7F8 R15 L18 T51 I54 V55F8-L10 HydrophobicContact CB-CD1 4.29Å; F8-L10 HydrophobicContact CB-CG 4Å; F8-L10 PolarHBondContact O-N 2.68Å; L10-R15 PolarHBondContact O-NH2 3.17Å; L10-L18 HydrophobicContact CD1-CD1 3.83Å; L10-T51 HydrophobicContact CD1-CG2 4.07Å; L10-T51 HydrophobicContact CD2-CG2 3.86Å; L10-I54 HydrophobicContact CD2-CB 4.02Å; L10-I54 HydrophobicContact CD2-CD1 4.05Å; L10-I54 HydrophobicContact CD2-CG2 3.87Å; L10-V55 HydrophobicContact CD1-CG2 4.37Å; L10-V55 HydrophobicContact CD2-CG2 4.5Å
11S88.9Confident84.1Confident58 Ų5871.4 Ų71.441%0.40640%0.403SS..  trans-58.7143.3175.677.40000110.7T13 V14 R15S11-T13 PolarHBondContact O-N 2.96Å; S11-V14 PolarHBondContact O-N 3.41Å; S11-V14 WeakPolarHBondContact OG-CB 3.46Å; S11-V14 WeakPolarHBondContact OG-CG2 3.44Å; S11-V14 PolarHBondContact OG-N 2.77Å; S11-R15 WeakPolarHBondContact O-CB 3.45Å; S11-R15 PolarHBondContact O-N 3.26Å
12P87.1Confident85.9Confident102 Ų10262.2 Ų62.266%0.66237%0.37SS*.Hα-helixtrans-56.8-39.4-177.1-26.734.7000112.9R15 V16P12-R15 PolarHBondContact O-N 3.25Å; P12-V16 WeakPolarHBondContact O-CG2 3.35Å; P12-V16 PolarHBondContact O-N 3.2Å
13T88.8Confident87.1Confident93 Ų9357.2 Ų57.257%0.57135%0.347SS*.Hα-helixtrans-62.7-45.9178.8-47.10000112.1S11 K17S11-T13 PolarHBondContact O-N 2.96Å; T13-K17 WeakPolarHBondContact O-CG 3.42Å; T13-K17 PolarHBondContact O-N 3.3Å
14V89.1Confident87.3Confident4 Ų460.1 Ų60.12%0.02436%0.363CS..Hα-helixtrans-68.8-40.2179.1171.50000110.6S11 V16 K17 L18 I43 E47 T51S11-V14 PolarHBondContact O-N 3.41Å; S11-V14 WeakPolarHBondContact OG-CB 3.46Å; S11-V14 WeakPolarHBondContact OG-CG2 3.44Å; S11-V14 PolarHBondContact OG-N 2.77Å; V14-V16 PolarHBondContact O-N 3.36Å; V14-K17 PolarHBondContact O-N 2.97Å; V14-L18 HydrophobicContact CG1-CD1 3.76Å; V14-L18 HydrophobicContact CG1-CG 4.25Å; V14-L18 VanDerWaalsContact O-CG 3.32Å; V14-L18 WeakPolarHBondContact O-CG 3.43Å; V14-L18 PolarHBondContact O-N 3.11Å; V14-I43 HydrophobicContact CG1-CD1 4.27Å; V14-I43 HydrophobicContact CG2-CG2 4.37Å; V14-E47 HydrophobicContact CG2-CB 4.4Å; V14-T51 HydrophobicContact CG1-CG2 4.38Å; V14-T51 WeakPolarHBondContact CG1-OG1 3.35Å
15R89.7Confident87.5Confident68 Ų6854.8 Ų54.826%0.25734%0.34SS..Hα-helixtrans-60.6-46.5177.9-170.5-171.3-53.1-146.5-8.3112.7V6 F8 L10 S11 P12 K17 L18 V19V6-R15 PolarHBondContact O-NH1 2.78Å; F8-R15 PolarHBondContact O-NH2 3.33Å; L10-R15 PolarHBondContact O-NH2 3.17Å; S11-R15 WeakPolarHBondContact O-CB 3.45Å; S11-R15 PolarHBondContact O-N 3.26Å; P12-R15 PolarHBondContact O-N 3.25Å; R15-K17 VanDerWaalsContact C-N 3.31Å; R15-K17 PolarHBondContact O-N 2.94Å; R15-L18 PolarHBondContact O-N 3.29Å; R15-V19 WeakPolarHBondContact O-CG2 3.23Å; R15-V19 PolarHBondContact O-N 3.39Å
16V90.3Very high87.5Confident103 Ų10354.9 Ų54.962%0.62434%0.341SS*.Hα-helixtrans-61.5-42.8177.7170.50000110.5P12 V14 V19 A20P12-V16 WeakPolarHBondContact O-CG2 3.35Å; P12-V16 PolarHBondContact O-N 3.2Å; V14-V16 PolarHBondContact O-N 3.36Å; V16-V19 PolarHBondContact O-N 2.99Å; V16-A20 VanDerWaalsContact O-CB 3.24Å; V16-A20 WeakPolarHBondContact O-CB 3.4Å; V16-A20 PolarHBondContact O-N 2.77Å
17K91.3Very high87.5Confident80 Ų8056.2 Ų56.235%0.34834%0.341SS..Hα-helixtrans-65.2-40.7177.5-70.7-179.7172.6-172.20112.6T13 V14 R15 A20 A21 V41 G42 I43T13-K17 WeakPolarHBondContact O-CG 3.42Å; T13-K17 PolarHBondContact O-N 3.3Å; V14-K17 PolarHBondContact O-N 2.97Å; R15-K17 VanDerWaalsContact C-N 3.31Å; R15-K17 PolarHBondContact O-N 2.94Å; K17-A20 PolarHBondContact O-N 3.4Å; K17-A21 WeakPolarHBondContact O-CB 3.46Å; K17-A21 PolarHBondContact O-N 3.32Å; K17-V41 HydrophobicContact CB-CG1 3.52Å; K17-G42 PolarHBondContact NZ-O 3.48Å; K17-I43 HydrophobicContact CB-CG2 4.46Å; K17-I43 HydrophobicContact CD-CG2 3.49Å; K17-I43 VanDerWaalsContact CD-CG2 3.49Å
18L89.1Confident87.5Confident0 Ų056.3 Ų56.30%034%0.338CS..Hα-helixtrans-60.9-48.4176.6-76164.1000111.6L10 V14 R15 A20 A21 G22 F23 V29 L37 V41 T51L10-L18 HydrophobicContact CD1-CD1 3.83Å; V14-L18 HydrophobicContact CG1-CD1 3.76Å; V14-L18 HydrophobicContact CG1-CG 4.25Å; V14-L18 VanDerWaalsContact O-CG 3.32Å; V14-L18 WeakPolarHBondContact O-CG 3.43Å; V14-L18 PolarHBondContact O-N 3.11Å; R15-L18 PolarHBondContact O-N 3.29Å; L18-A20 VanDerWaalsContact C-N 3.35Å; L18-A20 PolarHBondContact O-N 3.39Å; L18-A21 CarbonylContact O-C 3.55Å; L18-A21 PolarHBondContact O-N 3.44Å; L18-G22 PolarHBondContact O-N 3.45Å; L18-F23 HydrophobicContact CB-CB 4.34Å; L18-F23 HydrophobicContact CD2-CB 4.32Å; L18-F23 HydrophobicContact CD2-CD2 4.18Å; L18-F23 HydrophobicContact CD2-CG 4.34Å; L18-F23 WeakPolarHBondContact O-CB 3.45Å; L18-F23 PolarHBondContact O-N 3.01Å; L18-V29 HydrophobicContact CD2-CG2 4.36Å; L18-L37 HydrophobicContact CD2-CD1 3.89Å; L18-V41 HydrophobicContact CD2-CG1 4.09Å; L18-V41 HydrophobicContact CD2-CG2 3.75Å; L18-V41 HydrophobicContact CG-CG1 4.12Å; L18-T51 HydrophobicContact CD1-CG2 3.82Å
19V89.1Confident87.4Confident72 Ų7256.2 Ų56.244%0.43634%0.337SS..Hα-helixtrans-64.6-40.8177.7174.80000111.1R15 V16 A21 G22R15-V19 WeakPolarHBondContact O-CG2 3.23Å; R15-V19 PolarHBondContact O-N 3.39Å; V16-V19 PolarHBondContact O-N 2.99Å; V19-A21 VanDerWaalsContact C-N 3.26Å; V19-A21 PolarHBondContact O-N 2.79Å; V19-G22 PolarHBondContact O-N 2.89Å
20A88.4Confident87.1Confident88 Ų8854.7 Ų54.773%0.72732%0.324SS*.Hα-helixtrans-64.2-31.3176.300000112.9V16 K17 L18 G22V16-A20 VanDerWaalsContact O-CB 3.24Å; V16-A20 WeakPolarHBondContact O-CB 3.4Å; V16-A20 PolarHBondContact O-N 2.77Å; K17-A20 PolarHBondContact O-N 3.4Å; L18-A20 VanDerWaalsContact C-N 3.35Å; L18-A20 PolarHBondContact O-N 3.39Å; A20-G22 VanDerWaalsContact C-N 3.25Å
21A88.1Confident86.4Confident36 Ų3657.8 Ų57.830%0.29836%0.358SS..THydrogen-bonded Turntrans-81.7-0.1173.700000113.4K17 L18 V19 F23 V41K17-A21 WeakPolarHBondContact O-CB 3.46Å; K17-A21 PolarHBondContact O-N 3.32Å; L18-A21 CarbonylContact O-C 3.55Å; L18-A21 PolarHBondContact O-N 3.44Å; V19-A21 VanDerWaalsContact C-N 3.26Å; V19-A21 PolarHBondContact O-N 2.79Å; A21-F23 HydrophobicContact CB-CD2 3.91Å; A21-F23 HydrophobicContact CB-CE2 4.07Å; A21-V41 HydrophobicContact CB-CG2 4.12Å
22G86.1Confident86.1Confident48 Ų4856.2 Ų56.250%0.49535%0.346SS..THydrogen-bonded Turntrans92.51.8175.300000115.3L18 V19 A20 Q24L18-G22 PolarHBondContact O-N 3.45Å; V19-G22 PolarHBondContact O-N 2.89Å; A20-G22 VanDerWaalsContact C-N 3.25Å; G22-Q24 PolarHBondContact O-N 3.26Å
23F88.5Confident85.9Confident17 Ų1757 Ų578%0.07534%0.339CS..  trans-78.3120.6173.7-62.5-83.6000109.9L5 L18 A21 D28 V29 V32 L37 E40 V41L5-F23 HydrophobicContact CD1-CB 3.74Å; L5-F23 WeakPolarHBondContact CD1-O 3.31Å; L18-F23 HydrophobicContact CB-CB 4.34Å; L18-F23 HydrophobicContact CD2-CB 4.32Å; L18-F23 HydrophobicContact CD2-CD2 4.18Å; L18-F23 HydrophobicContact CD2-CG 4.34Å; L18-F23 WeakPolarHBondContact O-CB 3.45Å; L18-F23 PolarHBondContact O-N 3.01Å; A21-F23 HydrophobicContact CB-CD2 3.91Å; A21-F23 HydrophobicContact CB-CE2 4.07Å; F23-D28 HydrophobicContact CD1-CB 3.75Å; F23-D28 WeakPolarHBondContact CE1-O 3.41Å; F23-V29 HydrophobicContact CB-CG2 3.93Å; F23-V29 HydrophobicContact CD1-CG2 3.79Å; F23-V29 HydrophobicContact CG-CG2 4.07Å; F23-V32 HydrophobicContact CE1-CG2 4.03Å; F23-L37 HydrophobicContact CD2-CD1 4.45Å; F23-L37 HydrophobicContact CE1-CD1 4.33Å; F23-L37 HydrophobicContact CE2-CD1 4.06Å; F23-L37 HydrophobicContact CZ-CD1 4Å; F23-E40 HydrophobicContact CE2-CG 4.14Å; F23-E40 HydrophobicContact CZ-CG 4.37Å; F23-V41 HydrophobicContact CD2-CG2 3.97Å; F23-V41 HydrophobicContact CE2-CG2 3.73Å
24Q85.8Confident85.8Confident131 Ų13154.4 Ų54.461%0.61232%0.324SS*.  trans-119.3-30.9-177-62.2-174.115.800112.5E4 L5 G22 D28E4-Q24 WeakPolarHBondContact CA-O 3.48Å; L5-Q24 PolarHBondContact N-O 3.13Å; G22-Q24 PolarHBondContact O-N 3.26Å; Q24-D28 PolarHBondContact N-OD2 3.46Å
25T88.3Confident85.7Confident17 Ų1756.7 Ų56.710%0.10434%0.34CS..BIsolated β-bridgetrans-117.6159.6-174.5860000112.8Q2 L5 E27 D28Q2-T25 HydrophobicContact CB-CG2 4Å; L5-T25 WeakPolarHBondContact CG-O 3.39Å; T25-E27 PolarHBondContact O-N 2.9Å; T25-E27 PolarHBondContact OG1-N 3.33Å; T25-D28 PolarHBondContact N-OD2 3.16Å; T25-D28 WeakPolarHBondContact O-CB 3.24Å; T25-D28 PolarHBondContact O-N 3.05Å; T25-D28 PolarHBondContact OG1-N 2.85Å; T25-D28 PolarHBondContact OG1-OD1 2.74Å; T25-D28 PolarHBondContact OG1-OD2 2.75Å
26A83.1Confident85.6Confident4 Ų457.5 Ų57.53%0.03335%0.347CS..Hα-helixtrans-58.7-36.5174.800000112.6R3 F8 D28 V29 L30 V55R3-A26 PolarHBondContact O-N 3.45Å; F8-A26 HydrophobicContact CE2-CB 3.76Å; F8-A26 HydrophobicContact CZ-CB 3.54Å; A26-D28 VanDerWaalsContact C-N 3.33Å; A26-D28 PolarHBondContact O-N 2.82Å; A26-V29 PolarHBondContact O-N 2.67Å; A26-L30 HydrophobicContact CB-CD1 4.35Å; A26-L30 WeakPolarHBondContact O-CB 3.25Å; A26-L30 WeakPolarHBondContact O-CD1 3.47Å; A26-L30 WeakPolarHBondContact O-CG 3.2Å; A26-L30 PolarHBondContact O-N 3.33Å; A26-V55 HydrophobicContact CB-CG1 3.82Å
27E82.3Confident85.6Confident107 Ų10752.6 Ų52.650%0.532%0.317SS..Hα-helixtrans-65.1-38.3-179.8-72.5179.3175.100111.5Q2 T25 V29 L30Q2-E27 WeakPolarHBondContact CG-OE2 3.33Å; Q2-E27 PolarHBondContact NE2-OE2 2.69Å; T25-E27 PolarHBondContact O-N 2.9Å; T25-E27 PolarHBondContact OG1-N 3.33Å; E27-V29 PolarHBondContact O-N 3.02Å; E27-V29 VanDerWaalsContact O-N 3.17Å; E27-L30 PolarHBondContact O-N 2.9Å
28D82.4Confident85.7Confident61 Ų6149.7 Ų49.733%0.32631%0.307SS..Hα-helixtrans-58.3-32.2178.8-49.3-15.4000111.9F23 Q24 T25 A26 V32F23-D28 HydrophobicContact CD1-CB 3.75Å; F23-D28 WeakPolarHBondContact CE1-O 3.41Å; Q24-D28 PolarHBondContact N-OD2 3.46Å; T25-D28 PolarHBondContact N-OD2 3.16Å; T25-D28 WeakPolarHBondContact O-CB 3.24Å; T25-D28 PolarHBondContact O-N 3.05Å; T25-D28 PolarHBondContact OG1-N 2.85Å; T25-D28 PolarHBondContact OG1-OD1 2.74Å; T25-D28 PolarHBondContact OG1-OD2 2.75Å; A26-D28 VanDerWaalsContact C-N 3.33Å; A26-D28 PolarHBondContact O-N 2.82Å; D28-V32 WeakPolarHBondContact O-CG2 3.37Å
29V83.2Confident85.8Confident0 Ų058.3 Ų58.30%034%0.344CS..Hα-helixtrans-95.6-34.7-176-175.50000111.5L5 L18 F23 A26 E27 G31 V32 L37 L52L5-V29 HydrophobicContact CD1-CG2 3.6Å; L5-V29 HydrophobicContact CD2-CB 4.45Å; L5-V29 HydrophobicContact CD2-CG2 3.85Å; L5-V29 HydrophobicContact CG-CG2 4.33Å; L18-V29 HydrophobicContact CD2-CG2 4.36Å; F23-V29 HydrophobicContact CB-CG2 3.93Å; F23-V29 HydrophobicContact CD1-CG2 3.79Å; F23-V29 HydrophobicContact CG-CG2 4.07Å; A26-V29 PolarHBondContact O-N 2.67Å; E27-V29 PolarHBondContact O-N 3.02Å; E27-V29 VanDerWaalsContact O-N 3.17Å; V29-G31 VanDerWaalsContact C-N 3.26Å; V29-G31 PolarHBondContact O-N 3.37Å; V29-V32 PolarHBondContact O-N 3.39Å; V29-V32 VanDerWaalsContact O-N 3.1Å; V29-L37 HydrophobicContact CG1-CD1 4.17Å; V29-L37 HydrophobicContact CG1-CD2 3.83Å; V29-L52 HydrophobicContact CG1-CD2 3.68Å; V29-L52 HydrophobicContact CG1-CG 4.39Å; V29-L52 WeakPolarHBondContact O-CD2 3.47Å
30L81Confident85.8Confident50 Ų5060.7 Ų60.726%0.26235%0.351SS..Hα-helixtrans-62-29-173.3-79.7169.1000114.4A26 E27 V55 R56A26-L30 HydrophobicContact CB-CD1 4.35Å; A26-L30 WeakPolarHBondContact O-CB 3.25Å; A26-L30 WeakPolarHBondContact O-CD1 3.47Å; A26-L30 WeakPolarHBondContact O-CG 3.2Å; A26-L30 PolarHBondContact O-N 3.33Å; E27-L30 PolarHBondContact O-N 2.9Å; L30-V55 HydrophobicContact CD1-CG1 4.36Å; L30-V55 HydrophobicContact CD2-CG1 4.03Å; L30-V55 HydrophobicContact CG-CG1 3.92Å; L30-R56 HydrophobicContact CD2-CB 4.19Å; L30-R56 HydrophobicContact CD2-CG 3.23Å
31G73.9Confident85.9Confident74 Ų7457 Ų5776%0.76332%0.319SS*.THydrogen-bonded Turntrans-83.4-12.4177.900000115.1V29V29-G31 VanDerWaalsContact C-N 3.26Å; V29-G31 PolarHBondContact O-N 3.37Å
32V82.3Confident86Confident25 Ų2557.6 Ų57.615%0.15233%0.329CS..SBendtrans-92.7140.7-172.2-175.40000111.1F23 D28 V29 E36 L37F23-V32 HydrophobicContact CE1-CG2 4.03Å; D28-V32 WeakPolarHBondContact O-CG2 3.37Å; V29-V32 PolarHBondContact O-N 3.39Å; V29-V32 VanDerWaalsContact O-N 3.1Å; V32-E36 HydrophobicContact CG1-CB 3.69Å; V32-L37 HydrophobicContact CG1-CB 3.92Å; V32-L37 HydrophobicContact CG1-CD1 4.43Å
33K84.2Confident86.3Confident119 Ų11955.8 Ų55.852%0.51731%0.308SS..  trans-73.4148.5175.7-67175.9-172.7157.70110.6S35 E36 L37K33-S35 PolarHBondContact O-N 3.05Å; K33-S35 VanDerWaalsContact O-N 3.08Å; K33-E36 HydrophobicContact CB-CB 4.42Å; K33-E36 HydrophobicContact CB-CG 4.29Å; K33-E36 PolarHBondContact N-OE2 3.18Å; K33-E36 PolarHBondContact O-N 3.44Å; K33-L37 PolarHBondContact O-N 3.29Å
34P86.9Confident86.5Confident38 Ų3857.2 Ų57.225%0.24732%0.32CS..Hα-helixtrans-56.1-33.6178.7-1924.7000113.8S38 A48 L49 L52P34-S38 WeakPolarHBondContact O-CB 3.24Å; P34-S38 PolarHBondContact O-N 3.48Å; P34-A48 HydrophobicContact CB-CB 4.42Å; P34-A48 VanDerWaalsContact O-CB 3.28Å; P34-A48 WeakPolarHBondContact O-CB 3.27Å; P34-L49 HydrophobicContact CB-CD2 3.83Å; P34-L49 HydrophobicContact CB-CG 3.69Å; P34-L49 HydrophobicContact CG-CD2 3.42Å; P34-L49 VanDerWaalsContact CG-CD2 3.42Å; P34-L49 HydrophobicContact CG-CG 3.9Å; P34-L52 HydrophobicContact CB-CD1 3.83Å; P34-L52 HydrophobicContact CG-CD1 3.54Å
35S86.4Confident86.7Confident53 Ų5357.1 Ų57.137%0.37132%0.317SS..Hα-helixtrans-72.1-30.1176.852.40000114.2K33 K39K33-S35 PolarHBondContact O-N 3.05Å; K33-S35 VanDerWaalsContact O-N 3.08Å; S35-K39 WeakPolarHBondContact O-CG 3.49Å; S35-K39 PolarHBondContact O-N 3.35Å
36E86.8Confident86.7Confident85 Ų8562.1 Ų62.140%0.39734%0.339SS..Hα-helixtrans-77.7-49.4176.6-72.6159.3-171.800108.8V32 K33 S38 K39 E40V32-E36 HydrophobicContact CG1-CB 3.69Å; K33-E36 HydrophobicContact CB-CB 4.42Å; K33-E36 HydrophobicContact CB-CG 4.29Å; K33-E36 PolarHBondContact N-OE2 3.18Å; K33-E36 PolarHBondContact O-N 3.44Å; E36-S38 VanDerWaalsContact C-N 3.3Å; E36-S38 PolarHBondContact O-N 2.76Å; E36-K39 WeakPolarHBondContact O-CB 3.29Å; E36-K39 PolarHBondContact O-N 2.93Å; E36-E40 WeakPolarHBondContact O-CB 3.25Å; E36-E40 PolarHBondContact O-N 3.03Å
37L90.1Very high87.1Confident0 Ų065.4 Ų65.40%035%0.354CS..Hα-helixtrans-56.4-43.4175.7-168.670.2000111.8L18 F23 V29 V32 K33 K39 E40 V41 A48 T51 L52L18-L37 HydrophobicContact CD2-CD1 3.89Å; F23-L37 HydrophobicContact CD2-CD1 4.45Å; F23-L37 HydrophobicContact CE1-CD1 4.33Å; F23-L37 HydrophobicContact CE2-CD1 4.06Å; F23-L37 HydrophobicContact CZ-CD1 4Å; V29-L37 HydrophobicContact CG1-CD1 4.17Å; V29-L37 HydrophobicContact CG1-CD2 3.83Å; V32-L37 HydrophobicContact CG1-CB 3.92Å; V32-L37 HydrophobicContact CG1-CD1 4.43Å; K33-L37 PolarHBondContact O-N 3.29Å; L37-K39 VanDerWaalsContact C-N 3.32Å; L37-K39 PolarHBondContact O-N 3.34Å; L37-E40 PolarHBondContact O-N 3.4Å; L37-V41 HydrophobicContact CD1-CG2 3.65Å; L37-V41 HydrophobicContact CG-CG2 4.06Å; L37-V41 WeakPolarHBondContact O-CB 3.28Å; L37-V41 VanDerWaalsContact O-CG2 3.23Å; L37-V41 WeakPolarHBondContact O-CG2 3.24Å; L37-V41 PolarHBondContact O-N 3.07Å; L37-A48 HydrophobicContact CB-CB 4.3Å; L37-A48 HydrophobicContact CD2-CB 4.2Å; L37-A48 HydrophobicContact CG-CB 4.45Å; L37-T51 HydrophobicContact CD2-CG2 4.45Å; L37-L52 HydrophobicContact CD2-CD1 4.14Å; L37-L52 HydrophobicContact CD2-CD2 4.33Å; L37-L52 HydrophobicContact CD2-CG 3.91Å
38S93.7Very high87.4Confident18 Ų1860.3 Ų60.313%0.12633%0.33CS..Hα-helixtrans-58.7-41.5175.5168.60000112.6P34 E36 G42 I43P34-S38 WeakPolarHBondContact O-CB 3.24Å; P34-S38 PolarHBondContact O-N 3.48Å; E36-S38 VanDerWaalsContact C-N 3.3Å; E36-S38 PolarHBondContact O-N 2.76Å; S38-G42 WeakPolarHBondContact O-CA 3.32Å; S38-G42 PolarHBondContact O-N 3.15Å; S38-I43 WeakPolarHBondContact CB-O 3.4Å; S38-I43 PolarHBondContact O-N 3.16Å; S38-I43 PolarHBondContact OG-O 3.45Å
39K91.3Very high87.7Confident182 Ų18261.2 Ų61.279%0.79134%0.335SS*.Hα-helixtrans-73-43.8179.8-75.1177.3179.2-176.20112.4S35 E36 L37S35-K39 WeakPolarHBondContact O-CG 3.49Å; S35-K39 PolarHBondContact O-N 3.35Å; E36-K39 WeakPolarHBondContact O-CB 3.29Å; E36-K39 PolarHBondContact O-N 2.93Å; L37-K39 VanDerWaalsContact C-N 3.32Å; L37-K39 PolarHBondContact O-N 3.34Å
40E89.3Confident88Confident121 Ų12166.9 Ų66.957%0.56536%0.361SS*.Hα-helixtrans-73.8-36.7-174.5-166.9163.6-162.200112F23 E36 L37F23-E40 HydrophobicContact CE2-CG 4.14Å; F23-E40 HydrophobicContact CZ-CG 4.37Å; E36-E40 WeakPolarHBondContact O-CB 3.25Å; E36-E40 PolarHBondContact O-N 3.03Å; L37-E40 PolarHBondContact O-N 3.4Å
41V91.2Very high88.4Confident12 Ų1264.8 Ų64.87%0.07335%0.35CS..Hα-helixtrans-92.9-15.7-178.5-174.30000112K17 L18 A21 F23 L37 I43K17-V41 HydrophobicContact CB-CG1 3.52Å; L18-V41 HydrophobicContact CD2-CG1 4.09Å; L18-V41 HydrophobicContact CD2-CG2 3.75Å; L18-V41 HydrophobicContact CG-CG1 4.12Å; A21-V41 HydrophobicContact CB-CG2 4.12Å; F23-V41 HydrophobicContact CD2-CG2 3.97Å; F23-V41 HydrophobicContact CE2-CG2 3.73Å; L37-V41 HydrophobicContact CD1-CG2 3.65Å; L37-V41 HydrophobicContact CG-CG2 4.06Å; L37-V41 WeakPolarHBondContact O-CB 3.28Å; L37-V41 VanDerWaalsContact O-CG2 3.23Å; L37-V41 WeakPolarHBondContact O-CG2 3.24Å; L37-V41 PolarHBondContact O-N 3.07Å; V41-I43 HydrophobicContact CB-CD1 4.36Å; V41-I43 HydrophobicContact CB-CG1 4.19Å; V41-I43 HydrophobicContact CG1-CD1 4.21Å; V41-I43 HydrophobicContact CG1-CG1 4.29Å; V41-I43 HydrophobicContact CG1-CG2 3.96Å
42G89.7Confident89Confident48 Ų4861.4 Ų61.450%0.49532%0.315SS..THydrogen-bonded Turntrans66.743.8-177.900000112.9K17 S38K17-G42 PolarHBondContact NZ-O 3.48Å; S38-G42 WeakPolarHBondContact O-CA 3.32Å; S38-G42 PolarHBondContact O-N 3.15Å
43I92.5Very high89.2Confident10 Ų1065.2 Ų65.25%0.05133%0.331CS..  trans-117.1163.1175.858.6177.4000110.2V14 K17 S38 V41 E47 A48V14-I43 HydrophobicContact CG1-CD1 4.27Å; V14-I43 HydrophobicContact CG2-CG2 4.37Å; K17-I43 HydrophobicContact CB-CG2 4.46Å; K17-I43 HydrophobicContact CD-CG2 3.49Å; K17-I43 VanDerWaalsContact CD-CG2 3.49Å; S38-I43 WeakPolarHBondContact CB-O 3.4Å; S38-I43 PolarHBondContact O-N 3.16Å; S38-I43 PolarHBondContact OG-O 3.45Å; V41-I43 HydrophobicContact CB-CD1 4.36Å; V41-I43 HydrophobicContact CB-CG1 4.19Å; V41-I43 HydrophobicContact CG1-CD1 4.21Å; V41-I43 HydrophobicContact CG1-CG1 4.29Å; V41-I43 HydrophobicContact CG1-CG2 3.96Å; I43-E47 HydrophobicContact CB-CB 4.11Å; I43-E47 WeakPolarHBondContact CB-OE2 3.48Å; I43-E47 HydrophobicContact CD1-CB 4.29Å; I43-E47 HydrophobicContact CG1-CB 4.47Å; I43-A48 HydrophobicContact CD1-CB 3.84Å; I43-A48 HydrophobicContact CG1-CB 4.11Å
44S92.4Very high89.3Confident47 Ų4761.6 Ų61.633%0.32932%0.317SS..  trans-64.1160.2175.779.90000111.2E46 E47 A48S44-E46 WeakPolarHBondContact CB-OE2 3.48Å; S44-E46 PolarHBondContact O-N 3Å; S44-E46 PolarHBondContact OG-OE2 3.35Å; S44-E47 PolarHBondContact N-OE2 3.37Å; S44-E47 PolarHBondContact O-N 3.04Å; S44-E47 WeakPolarHBondContact OG-CB 3.47Å; S44-E47 VanDerWaalsContact OG-CG 3.24Å; S44-E47 WeakPolarHBondContact OG-CG 3.45Å; S44-E47 PolarHBondContact OG-N 2.82Å; S44-E47 PolarHBondContact OG-OE2 2.67Å; S44-A48 WeakPolarHBondContact O-CB 3.5Å; S44-A48 PolarHBondContact O-N 3.41Å
45K89.8Confident89.3Confident128 Ų12859.8 Ų59.856%0.55731%0.305SS*.Hα-helixtrans-65.2-32.1177.4-75.1-177-179.6175.60111.3L49K45-L49 WeakPolarHBondContact O-CB 3.32Å; K45-L49 PolarHBondContact O-N 3.27Å
46E88.8Confident89.2Confident123 Ų12362.3 Ų62.358%0.57531%0.307SS*.Hα-helixtrans-67-48176.8-61.669-148.800110.1S44 A48 L49 E50S44-E46 WeakPolarHBondContact CB-OE2 3.48Å; S44-E46 PolarHBondContact O-N 3Å; S44-E46 PolarHBondContact OG-OE2 3.35Å; E46-A48 VanDerWaalsContact C-N 3.33Å; E46-A48 PolarHBondContact O-N 3.17Å; E46-L49 WeakPolarHBondContact O-CB 3.41Å; E46-L49 PolarHBondContact O-N 2.95Å; E46-E50 WeakPolarHBondContact O-CG 3.45Å; E46-E50 PolarHBondContact O-N 3.42Å
47E90.3Very high88.9Confident72 Ų7265.9 Ų65.934%0.33632%0.316SS..Hα-helixtrans-61.7-40.6175.8-73.6173.5145.100111.8V14 I43 S44 E50 T51V14-E47 HydrophobicContact CG2-CB 4.4Å; I43-E47 HydrophobicContact CB-CB 4.11Å; I43-E47 WeakPolarHBondContact CB-OE2 3.48Å; I43-E47 HydrophobicContact CD1-CB 4.29Å; I43-E47 HydrophobicContact CG1-CB 4.47Å; S44-E47 PolarHBondContact N-OE2 3.37Å; S44-E47 PolarHBondContact O-N 3.04Å; S44-E47 WeakPolarHBondContact OG-CB 3.47Å; S44-E47 VanDerWaalsContact OG-CG 3.24Å; S44-E47 WeakPolarHBondContact OG-CG 3.45Å; S44-E47 PolarHBondContact OG-N 2.82Å; S44-E47 PolarHBondContact OG-OE2 2.67Å; E47-E50 PolarHBondContact O-N 3.32Å; E47-T51 VanDerWaalsContact O-CB 3.32Å; E47-T51 WeakPolarHBondContact O-CB 3.12Å; E47-T51 PolarHBondContact O-N 3.02Å; E47-T51 PolarHBondContact O-OG1 3.31Å
48A90.3Very high88.4Confident0 Ų068.8 Ų68.80%033%0.33CS..Hα-helixtrans-64.6-42.1175.900000112.1P34 L37 I43 S44 E46 L52P34-A48 HydrophobicContact CB-CB 4.42Å; P34-A48 VanDerWaalsContact O-CB 3.28Å; P34-A48 WeakPolarHBondContact O-CB 3.27Å; L37-A48 HydrophobicContact CB-CB 4.3Å; L37-A48 HydrophobicContact CD2-CB 4.2Å; L37-A48 HydrophobicContact CG-CB 4.45Å; I43-A48 HydrophobicContact CD1-CB 3.84Å; I43-A48 HydrophobicContact CG1-CB 4.11Å; S44-A48 WeakPolarHBondContact O-CB 3.5Å; S44-A48 PolarHBondContact O-N 3.41Å; E46-A48 VanDerWaalsContact C-N 3.33Å; E46-A48 PolarHBondContact O-N 3.17Å; A48-L52 WeakPolarHBondContact O-CD1 3.32Å; A48-L52 WeakPolarHBondContact O-CG 3.26Å; A48-L52 PolarHBondContact O-N 3.47Å; A48-L52 VanDerWaalsContact O-N 3.08Å
49L88.6Confident87.5Confident81 Ų8169.4 Ų69.442%0.42433%0.334SS..Hα-helixtrans-62.7-48.2175.1-91169.3000111.9P34 K45 E46 T51 L52 Q53P34-L49 HydrophobicContact CB-CD2 3.83Å; P34-L49 HydrophobicContact CB-CG 3.69Å; P34-L49 HydrophobicContact CG-CD2 3.42Å; P34-L49 VanDerWaalsContact CG-CD2 3.42Å; P34-L49 HydrophobicContact CG-CG 3.9Å; K45-L49 WeakPolarHBondContact O-CB 3.32Å; K45-L49 PolarHBondContact O-N 3.27Å; E46-L49 WeakPolarHBondContact O-CB 3.41Å; E46-L49 PolarHBondContact O-N 2.95Å; L49-T51 VanDerWaalsContact C-N 3.33Å; L49-T51 PolarHBondContact O-N 3.39Å; L49-L52 PolarHBondContact O-N 3.39Å; L49-Q53 WeakPolarHBondContact O-CG 3.33Å; L49-Q53 PolarHBondContact O-N 3.09Å
50E88.9Confident86.3Confident119 Ų11966.8 Ų66.856%0.55633%0.328SS*.Hα-helixtrans-60.3-44.6178.5-76.4-176.3176.600111.4E46 E47 L52 Q53 I54E46-E50 WeakPolarHBondContact O-CG 3.45Å; E46-E50 PolarHBondContact O-N 3.42Å; E47-E50 PolarHBondContact O-N 3.32Å; E50-L52 PolarHBondContact O-N 2.79Å; E50-Q53 PolarHBondContact O-N 3.26Å; E50-I54 VanDerWaalsContact O-CG1 3.28Å; E50-I54 WeakPolarHBondContact O-CG1 3.19Å; E50-I54 PolarHBondContact O-N 3.02Å
51T88.3Confident84.8Confident5 Ų565.5 Ų65.53%0.03133%0.329CS..Hα-helixtrans-55.5-50.9175.9-60.70000111.2L10 V14 L18 L37 E47 L49 Q53 I54 V55L10-T51 HydrophobicContact CD1-CG2 4.07Å; L10-T51 HydrophobicContact CD2-CG2 3.86Å; V14-T51 HydrophobicContact CG1-CG2 4.38Å; V14-T51 WeakPolarHBondContact CG1-OG1 3.35Å; L18-T51 HydrophobicContact CD1-CG2 3.82Å; L37-T51 HydrophobicContact CD2-CG2 4.45Å; E47-T51 VanDerWaalsContact O-CB 3.32Å; E47-T51 WeakPolarHBondContact O-CB 3.12Å; E47-T51 PolarHBondContact O-N 3.02Å; E47-T51 PolarHBondContact O-OG1 3.31Å; L49-T51 VanDerWaalsContact C-N 3.33Å; L49-T51 PolarHBondContact O-N 3.39Å; T51-Q53 VanDerWaalsContact C-N 3.32Å; T51-Q53 PolarHBondContact O-N 3.5Å; T51-I54 PolarHBondContact O-N 2.77Å; T51-V55 WeakPolarHBondContact O-CG2 3.3Å; T51-V55 PolarHBondContact O-N 3.04Å
52L87.9Confident82.9Confident4 Ų470.2 Ų70.22%0.02135%0.353CS..Hα-helixtrans-62.1-38.7178.8-75.3164.4000112.2V29 P34 L37 A48 L49 E50 R56V29-L52 HydrophobicContact CG1-CD2 3.68Å; V29-L52 HydrophobicContact CG1-CG 4.39Å; V29-L52 WeakPolarHBondContact O-CD2 3.47Å; P34-L52 HydrophobicContact CB-CD1 3.83Å; P34-L52 HydrophobicContact CG-CD1 3.54Å; L37-L52 HydrophobicContact CD2-CD1 4.14Å; L37-L52 HydrophobicContact CD2-CD2 4.33Å; L37-L52 HydrophobicContact CD2-CG 3.91Å; A48-L52 WeakPolarHBondContact O-CD1 3.32Å; A48-L52 WeakPolarHBondContact O-CG 3.26Å; A48-L52 PolarHBondContact O-N 3.47Å; A48-L52 VanDerWaalsContact O-N 3.08Å; L49-L52 PolarHBondContact O-N 3.39Å; E50-L52 PolarHBondContact O-N 2.79Å; L52-R56 VanDerWaalsContact O-CB 3.3Å; L52-R56 WeakPolarHBondContact O-CB 3.44Å; L52-R56 WeakPolarHBondContact O-CG 3.4Å; L52-R56 PolarHBondContact O-N 2.85Å
53Q85.9Confident80.9Confident105 Ų10575.3 Ų75.349%0.49136%0.362SS..Hα-helixtrans-67.5-41.6177.5-73.21787.900112.5L49 E50 T51 R57L49-Q53 WeakPolarHBondContact O-CG 3.33Å; L49-Q53 PolarHBondContact O-N 3.09Å; E50-Q53 PolarHBondContact O-N 3.26Å; T51-Q53 VanDerWaalsContact C-N 3.32Å; T51-Q53 PolarHBondContact O-N 3.5Å; Q53-R57 VanDerWaalsContact O-CB 3.3Å; Q53-R57 WeakPolarHBondContact O-CB 3.28Å; Q53-R57 PolarHBondContact O-N 3.18Å
54I87.2Confident78.3Confident43 Ų4379.8 Ų79.822%0.22139%0.392CS..Hα-helixtrans-63-50.3176.9-69.6164.5000109.8P9 L10 E50 T51 R56 R57 E58P9-I54 HydrophobicContact CG-CG2 3.68Å; L10-I54 HydrophobicContact CD2-CB 4.02Å; L10-I54 HydrophobicContact CD2-CD1 4.05Å; L10-I54 HydrophobicContact CD2-CG2 3.87Å; E50-I54 VanDerWaalsContact O-CG1 3.28Å; E50-I54 WeakPolarHBondContact O-CG1 3.19Å; E50-I54 PolarHBondContact O-N 3.02Å; T51-I54 PolarHBondContact O-N 2.77Å; I54-R56 VanDerWaalsContact C-N 3.35Å; I54-R56 PolarHBondContact O-N 3.19Å; I54-R57 PolarHBondContact O-N 3.18Å; I54-E58 HydrophobicContact CG2-CG 4.48Å; I54-E58 WeakPolarHBondContact O-CB 3.3Å; I54-E58 WeakPolarHBondContact O-CG 3.48Å; I54-E58 PolarHBondContact O-N 3.4Å
55V86.4Confident75.9Confident0 Ų090 Ų900%042%0.423CS..Hα-helixtrans-62.1-41.7179.8177.30000111.2L5 F8 L10 A26 L30 T51 S59L5-V55 HydrophobicContact CD2-CG2 4.07Å; F8-V55 HydrophobicContact CD1-CB 4.27Å; F8-V55 HydrophobicContact CD1-CG1 4.38Å; F8-V55 HydrophobicContact CD1-CG2 4.05Å; F8-V55 HydrophobicContact CE1-CB 4.25Å; F8-V55 HydrophobicContact CE1-CG1 3.94Å; F8-V55 HydrophobicContact CE1-CG2 4.43Å; F8-V55 HydrophobicContact CG-CG2 4.21Å; F8-V55 HydrophobicContact CZ-CG1 4.11Å; L10-V55 HydrophobicContact CD1-CG2 4.37Å; L10-V55 HydrophobicContact CD2-CG2 4.5Å; A26-V55 HydrophobicContact CB-CG1 3.82Å; L30-V55 HydrophobicContact CD1-CG1 4.36Å; L30-V55 HydrophobicContact CD2-CG1 4.03Å; L30-V55 HydrophobicContact CG-CG1 3.92Å; T51-V55 WeakPolarHBondContact O-CG2 3.3Å; T51-V55 PolarHBondContact O-N 3.04Å; V55-S59 VanDerWaalsContact O-CB 3.23Å; V55-S59 WeakPolarHBondContact O-CB 3.45Å; V55-S59 PolarHBondContact O-N 3.46Å; V55-S59 PolarHBondContact O-OG 3.47Å
56R84.4Confident73Confident106 Ų10688.9 Ų88.940%0.443%0.43SS..Hα-helixtrans-61.8-45.7175.3-77.9175.1-177.3174.22.7112.8L30 L52 I54 L60L30-R56 HydrophobicContact CD2-CB 4.19Å; L30-R56 HydrophobicContact CD2-CG 3.23Å; L52-R56 VanDerWaalsContact O-CB 3.3Å; L52-R56 WeakPolarHBondContact O-CB 3.44Å; L52-R56 WeakPolarHBondContact O-CG 3.4Å; L52-R56 PolarHBondContact O-N 2.85Å; I54-R56 VanDerWaalsContact C-N 3.35Å; I54-R56 PolarHBondContact O-N 3.19Å; R56-L60 WeakPolarHBondContact O-CD1 3.21Å; R56-L60 VanDerWaalsContact O-CG 3.31Å; R56-L60 WeakPolarHBondContact O-CG 3.26Å; R56-L60 PolarHBondContact O-N 3.27Å
57R80.6Confident70.6Confident159 Ų15988.5 Ų88.560%0.645%0.448SS*.Hα-helixtrans-63.9-47.5-177.3-171.5-173.6-56175.24.4111.6Q53 I54 L60Q53-R57 VanDerWaalsContact O-CB 3.3Å; Q53-R57 WeakPolarHBondContact O-CB 3.28Å; Q53-R57 PolarHBondContact O-N 3.18Å; I54-R57 PolarHBondContact O-N 3.18Å; R57-L60 PolarHBondContact O-N 3.35Å
58E79.4Confident68.1Low61 Ų6189 Ų8929%0.28547%0.472SS..Hα-helixtrans-75.2-23.3-177.7-68.1-67.414900113.1R3 F8 P9 I54 L60 T61R3-E58 PolarHBondContact NH1-O 2.95Å; F8-E58 HydrophobicContact CD1-CB 3.62Å; F8-E58 HydrophobicContact CD1-CG 4.21Å; F8-E58 HydrophobicContact CE1-CB 3.59Å; P9-E58 HydrophobicContact CG-CG 4.32Å; I54-E58 HydrophobicContact CG2-CG 4.48Å; I54-E58 WeakPolarHBondContact O-CB 3.3Å; I54-E58 WeakPolarHBondContact O-CG 3.48Å; I54-E58 PolarHBondContact O-N 3.4Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-T61 PolarHBondContact O-OG1 3Å
59S74.5Confident65.6Low31 Ų3192 Ų9222%0.21750%0.497CS..Hα-helixtrans-78.2-19.4174.5-59.10000113V55V55-S59 VanDerWaalsContact O-CB 3.23Å; V55-S59 WeakPolarHBondContact O-CB 3.45Å; V55-S59 PolarHBondContact O-N 3.46Å; V55-S59 PolarHBondContact O-OG 3.47Å
60L65.1Low63.4Low127 Ų12793.2 Ų93.267%0.66551%0.513SS*.Hα-helixtrans-87.3-19.3178.3-72.7167.6000113.2R56 R57 E58R56-L60 WeakPolarHBondContact O-CD1 3.21Å; R56-L60 VanDerWaalsContact O-CG 3.31Å; R56-L60 WeakPolarHBondContact O-CG 3.26Å; R56-L60 PolarHBondContact O-N 3.27Å; R57-L60 PolarHBondContact O-N 3.35Å; E58-L60 VanDerWaalsContact C-N 3.34Å
61T58.4Low61.4Low95 Ų9592.8 Ų92.858%0.58352%0.518SS*.SBendtrans-80.6-19.2-17945.30000113.6E58E58-T61 PolarHBondContact O-OG1 3Å
62D50.7Low59.3Low110 Ų11096 Ų9659%0.58855%0.545SS*.SBendtrans-100.8-7-175.5-92.4-24.4000115.7R3R3-D62 IonicContact CZ-OD2 3.69Å; R3-D62 IonicContact NH1-OD2 3.68Å; R3-D62 PolarHBondContact NH1-OD2 3.5Å
63K47.5Very low57.8Low156 Ų15699.3 Ų99.368%0.67858%0.581SS**  trans-98.1123.3178.7-80.7-175177.5177.80111.5
64P38.5Very low57Low104 Ų104101.1 Ų101.168%0.67559%0.587SS**  trans-61147.8158.329-31.3000107.9C66P64-C66 VanDerWaalsContact C-N 3.3Å; P64-C66 PolarHBondContact O-N 3.37Å
65R41.4Very low56.6Low260 Ų260108.7 Ų108.798%0.98162%0.618SS**SBendtrans-54.385.7-175.6-66.8177.3176.3174.9-1.8111.9
66C30.5Very low56.4Low105 Ų105112.6 Ų112.671%0.70963%0.633SS**  trans-105.9125166.8-81.20000108.3P64 G68P64-C66 VanDerWaalsContact C-N 3.3Å; P64-C66 PolarHBondContact O-N 3.37Å; C66-G68 PolarHBondContact O-N 2.9Å
67A37Very low56.8Low115 Ų115111.3 Ų111.395%0.9564%0.637SS**SBendtrans-55.8122.4174.500000110
68G38.7Very low57.4Low82 Ų82107.8 Ų107.885%0.84564%0.642SS**  trans140.810.3178.900000116.2C66C66-G68 PolarHBondContact O-N 2.9Å
69A37Very low58Low63 Ų63110 Ų11052%0.52166%0.655SS.*  trans-81.5128.3172.800000111V71A69-V71 PolarHBondContact O-N 3.04Å
70S42.3Very low58.8Low108 Ų108112.2 Ų112.276%0.75566%0.662SS**  trans-36.8123.9170.354.50000112.8A72S70-A72 PolarHBondContact O-N 2.93Å
71V46.8Very low60Low109 Ų109110 Ų11066%0.66165%0.651SS**  trans-68.611.7-172.8-172.20000113.8A69 G73A69-V71 PolarHBondContact O-N 3.04Å; V71-G73 PolarHBondContact O-N 3.49Å
72A44.8Very low61.4Low73 Ų73109.3 Ų109.360%0.60364%0.643SS**THydrogen-bonded Turntrans-74.996.8-178.900000111.2S70S70-A72 PolarHBondContact O-N 2.93Å
73G55.7Low63.2Low74 Ų74109.2 Ų109.276%0.76364%0.639SS**THydrogen-bonded Turntrans115.97.9169.200000116.4V71 K75V71-G73 PolarHBondContact O-N 3.49Å; G73-K75 PolarHBondContact O-N 2.97Å
74K69.4Low65Low143 Ų143105.7 Ų105.762%0.62263%0.625SS**  trans-69.7120.3169.9-169.2162.6171.1-173.10108.7Y76K74-Y76 HydrophobicContact CB-CD2 4.47Å; K74-Y76 HydrophobicContact CB-CE2 3.73Å; K74-Y76 HydrophobicContact CD-CE1 4.18Å; K74-Y76 HydrophobicContact CD-CE2 4.3Å; K74-Y76 WeakPolarHBondContact CD-OH 3.41Å; K74-Y76 HydrophobicContact CG-CD2 4.48Å; K74-Y76 HydrophobicContact CG-CE1 4.28Å; K74-Y76 HydrophobicContact CG-CE2 3.86Å; K74-Y76 VanDerWaalsContact O-CD2 3.25Å; K74-Y76 WeakPolarHBondContact O-CD2 3.4Å; K74-Y76 WeakPolarHBondContact O-CE2 3.41Å
75K78.5Confident67.2Low202 Ų202106.1 Ų106.188%0.87862%0.618SS**  trans-74.7130.6173.5-66.6178.9-177.8179.60107.7G73G73-K75 PolarHBondContact O-N 2.97Å
76Y83.9Confident69.2Low82 Ų82101 Ų10132%0.32261%0.605SS.*  trans-117.8141.5172.2-64.8-86.6000109.1K74 E80 L81 Q84K74-Y76 HydrophobicContact CB-CD2 4.47Å; K74-Y76 HydrophobicContact CB-CE2 3.73Å; K74-Y76 HydrophobicContact CD-CE1 4.18Å; K74-Y76 HydrophobicContact CD-CE2 4.3Å; K74-Y76 WeakPolarHBondContact CD-OH 3.41Å; K74-Y76 HydrophobicContact CG-CD2 4.48Å; K74-Y76 HydrophobicContact CG-CE1 4.28Å; K74-Y76 HydrophobicContact CG-CE2 3.86Å; K74-Y76 VanDerWaalsContact O-CD2 3.25Å; K74-Y76 WeakPolarHBondContact O-CD2 3.4Å; K74-Y76 WeakPolarHBondContact O-CE2 3.41Å; Y76-E80 WeakPolarHBondContact CA-OE2 3.48Å; Y76-E80 HydrophobicContact CD1-CB 4.31Å; Y76-L81 HydrophobicContact CG-CD2 4.32Å; Y76-Q84 VanDerWaalsContact CE1-NE2 3.31Å
77T92.6Very high71.7Confident78 Ų78101.2 Ų101.248%0.47960%0.603SS.*  trans-77.1159.6167.569.60000110L79 E80 L81T77-L79 PolarHBondContact O-N 3.17Å; T77-E80 PolarHBondContact N-OE2 3.38Å; T77-E80 PolarHBondContact O-N 3.3Å; T77-E80 WeakPolarHBondContact OG1-CG 3.26Å; T77-E80 PolarHBondContact OG1-N 3.36Å; T77-L81 PolarHBondContact O-N 3.31Å; T77-L81 VanDerWaalsContact O-N 3.11Å
78A91.9Very high73.9Confident85 Ų8598 Ų9870%0.70257%0.568SS**Hα-helixtrans-59.9-30.5174.800000112.5L81 L82A78-L81 PolarHBondContact O-N 2.87Å; A78-L82 WeakPolarHBondContact O-CB 3.48Å; A78-L82 PolarHBondContact O-N 2.88Å
79L93.3Very high76.3Confident107 Ų10795.4 Ų95.456%0.5654%0.541SS*.Hα-helixtrans-67.2-45.5175.8-178.763000111.6T77 L81 L82 E83T77-L79 PolarHBondContact O-N 3.17Å; L79-L81 VanDerWaalsContact C-N 3.27Å; L79-L81 PolarHBondContact O-N 3.16Å; L79-L82 WeakPolarHBondContact O-CB 3.49Å; L79-L82 PolarHBondContact O-N 3.17Å; L79-L82 VanDerWaalsContact O-N 3.17Å; L79-E83 WeakPolarHBondContact O-CG 3.37Å; L79-E83 PolarHBondContact O-N 3.49Å
80E91.5Very high79.1Confident79 Ų7996.2 Ų96.237%0.36953%0.534SS..Hα-helixtrans-63.3-35.1177.1-70.1168.9151.900111.9Y76 T77 Q84Y76-E80 WeakPolarHBondContact CA-OE2 3.48Å; Y76-E80 HydrophobicContact CD1-CB 4.31Å; T77-E80 PolarHBondContact N-OE2 3.38Å; T77-E80 PolarHBondContact O-N 3.3Å; T77-E80 WeakPolarHBondContact OG1-CG 3.26Å; T77-E80 PolarHBondContact OG1-N 3.36Å; E80-Q84 VanDerWaalsContact O-CG 3.26Å; E80-Q84 WeakPolarHBondContact O-CG 3.43Å; E80-Q84 PolarHBondContact O-N 3.09Å
81L89.2Confident81.8Confident80 Ų8091.2 Ų91.242%0.41950%0.498SS..Hα-helixtrans-67.5-42.7173.9-67.9175000111.4Y76 T77 A78 L79 E83 Q84 E85Y76-L81 HydrophobicContact CG-CD2 4.32Å; T77-L81 PolarHBondContact O-N 3.31Å; T77-L81 VanDerWaalsContact O-N 3.11Å; A78-L81 PolarHBondContact O-N 2.87Å; L79-L81 VanDerWaalsContact C-N 3.27Å; L79-L81 PolarHBondContact O-N 3.16Å; L81-E83 PolarHBondContact O-N 2.96Å; L81-Q84 WeakPolarHBondContact O-CB 3.46Å; L81-Q84 PolarHBondContact O-N 2.97Å; L81-E85 WeakPolarHBondContact O-CG 3.5Å; L81-E85 PolarHBondContact O-N 3.49Å
82L87.8Confident84.2Confident80 Ų8087.6 Ų87.642%0.41948%0.475SS..Hα-helixtrans-61.2-44.5176.3179.763.9000111.5A78 L79 Q84 E85 H86A78-L82 WeakPolarHBondContact O-CB 3.48Å; A78-L82 PolarHBondContact O-N 2.88Å; L79-L82 WeakPolarHBondContact O-CB 3.49Å; L79-L82 PolarHBondContact O-N 3.17Å; L79-L82 VanDerWaalsContact O-N 3.17Å; L82-Q84 VanDerWaalsContact C-N 3.31Å; L82-Q84 PolarHBondContact O-N 3.05Å; L82-E85 PolarHBondContact O-N 2.66Å; L82-H86 PolarHBondContact O-CD2 3.22Å; L82-H86 PolarHBondContact O-N 3.08Å
83E89.7Confident86.6Confident109 Ų10984.1 Ų84.151%0.50945%0.446SS..Hα-helixtrans-60.9-40.1175.2-71.5173172.900111.8L79 L81 H86 T87L79-E83 WeakPolarHBondContact O-CG 3.37Å; L79-E83 PolarHBondContact O-N 3.49Å; L81-E83 PolarHBondContact O-N 2.96Å; E83-H86 PolarHBondContact O-N 2.94Å; E83-T87 PolarHBondContact O-N 3.24Å
84Q85.4Confident88.5Confident81 Ų8182 Ų8238%0.37942%0.416SS..Hα-helixtrans-64.6-43.3174.1-75.517310.700112.2Y76 E80 L81 L82 H86 T87 Q88Y76-Q84 VanDerWaalsContact CE1-NE2 3.31Å; E80-Q84 VanDerWaalsContact O-CG 3.26Å; E80-Q84 WeakPolarHBondContact O-CG 3.43Å; E80-Q84 PolarHBondContact O-N 3.09Å; L81-Q84 WeakPolarHBondContact O-CB 3.46Å; L81-Q84 PolarHBondContact O-N 2.97Å; L82-Q84 VanDerWaalsContact C-N 3.31Å; L82-Q84 PolarHBondContact O-N 3.05Å; Q84-H86 VanDerWaalsContact C-N 3.3Å; Q84-H86 PolarHBondContact O-N 3.34Å; Q84-T87 CarbonylContact O-C 3.49Å; Q84-T87 PolarHBondContact O-N 3.25Å; Q84-T87 PolarHBondContact O-OG1 3.5Å; Q84-Q88 PolarHBondContact O-N 3.4Å; Q84-Q88 VanDerWaalsContact O-N 3.16Å
85E83.9Confident89.8Confident114 Ų11475.1 Ų75.153%0.53339%0.386SS..Hα-helixtrans-61.6-36.7177.3-75-174.7162.500112L81 L82 T87 Q88L81-E85 WeakPolarHBondContact O-CG 3.5Å; L81-E85 PolarHBondContact O-N 3.49Å; L82-E85 PolarHBondContact O-N 2.66Å; E85-T87 PolarHBondContact O-N 3.29Å; E85-Q88 VanDerWaalsContact O-CB 3.24Å; E85-Q88 WeakPolarHBondContact O-CB 3.23Å; E85-Q88 PolarHBondContact O-N 3.32Å; E85-Q88 VanDerWaalsContact O-N 3.1Å
86H82.8Confident90.6Very high151 Ų15168.4 Ų68.470%0.69937%0.365SS*.Hα-helixtrans-64.4-26.8174.4-77.3-60.9000113.6L82 E83 Q84L82-H86 PolarHBondContact O-CD2 3.22Å; L82-H86 PolarHBondContact O-N 3.08Å; E83-H86 PolarHBondContact O-N 2.94Å; Q84-H86 VanDerWaalsContact C-N 3.3Å; Q84-H86 PolarHBondContact O-N 3.34Å
87T82.7Confident91.2Very high110 Ų11065.7 Ų65.768%0.67536%0.359SS*.THydrogen-bonded Turntrans-92.1-0.5175.963.50000113.3E83 Q84 E85 G89E83-T87 PolarHBondContact O-N 3.24Å; Q84-T87 CarbonylContact O-C 3.49Å; Q84-T87 PolarHBondContact O-N 3.25Å; Q84-T87 PolarHBondContact O-OG1 3.5Å; E85-T87 PolarHBondContact O-N 3.29Å; T87-G89 PolarHBondContact O-N 3.01Å
88Q83.4Confident91.4Very high48 Ų4862 Ų6222%0.22434%0.336CS..  trans-78.1117.9-176.2-168.8169.9-6.900110.1Q84 E85 L108Q84-Q88 PolarHBondContact O-N 3.4Å; Q84-Q88 VanDerWaalsContact O-N 3.16Å; E85-Q88 VanDerWaalsContact O-CB 3.24Å; E85-Q88 WeakPolarHBondContact O-CB 3.23Å; E85-Q88 PolarHBondContact O-N 3.32Å; E85-Q88 VanDerWaalsContact O-N 3.1Å; Q88-L108 PolarHBondContact NE2-O 2.9Å
89G90.4Very high91.7Very high27 Ų2758.8 Ų58.828%0.27831%0.307SS..  trans-67.4163.2176.800000113.1T87 L108T87-G89 PolarHBondContact O-N 3.01Å; G89-L108 WeakPolarHBondContact O-CB 3.4Å; G89-L108 WeakPolarHBondContact O-CG 3.24Å; G89-L108 PolarHBondContact O-N 3.46Å; G89-L108 VanDerWaalsContact O-N 3.17Å
90F96.1Very high91.8Very high81 Ų8159.3 Ų59.336%0.35531%0.311SS..EExtended strand (participates in β ladder)trans-137.4154.6171.948.1-98.1000109.5I92 G104 I106F90-I92 HydrophobicContact CD2-CG2 4.04Å; F90-I92 HydrophobicContact CE2-CG2 3.92Å; F90-G104 VanDerWaalsContact CD2-C 3.44Å; F90-G104 WeakPolarHBondContact CD2-O 3.42Å; F90-G104 VanDerWaalsContact CE2-O 3.28Å; F90-G104 WeakPolarHBondContact CE2-O 3.42Å; F90-I106 CarbonylContact C-O 3.58Å; F90-I106 WeakPolarHBondContact CA-O 3.39Å; F90-I106 WeakPolarHBondContact CB-O 3.39Å
91I98.3Very high92.1Very high2 Ų256.5 Ų56.51%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-97.3115.9174.9-52.8164.7000107.2G105 I106 L108 L129 D132 V133 V142 L229 A270I91-G105 CarbonylContact O-C 3.58Å; I91-G105 WeakPolarHBondContact O-CA 3.5Å; I91-I106 HydrophobicContact CB-CB 4.3Å; I91-I106 PolarHBondContact N-O 3.05Å; I91-I106 PolarHBondContact O-N 2.96Å; I91-L108 HydrophobicContact CD1-CD2 4.24Å; I91-L108 HydrophobicContact CG1-CD2 4.27Å; I91-L129 HydrophobicContact CB-CD2 4.34Å; I91-L129 HydrophobicContact CG2-CD2 3.69Å; I91-D132 HydrophobicContact CG2-CB 4.03Å; I91-V133 HydrophobicContact CD1-CB 3.97Å; I91-V133 HydrophobicContact CD1-CG2 3.73Å; I91-V133 HydrophobicContact CG1-CB 4.29Å; I91-V133 HydrophobicContact CG1-CG2 4.09Å; I91-V133 HydrophobicContact CG2-CB 4.25Å; I91-V142 HydrophobicContact CG1-CG2 4.21Å; I91-L229 HydrophobicContact CD1-CB 4.03Å; I91-L229 HydrophobicContact CD1-CD1 3.96Å; I91-L229 HydrophobicContact CD1-CD2 4.24Å; I91-L229 HydrophobicContact CD1-CG 4.3Å; I91-A270 HydrophobicContact CD1-CB 3.86Å
92I97Very high92.4Very high34 Ų3453.2 Ų53.217%0.17428%0.281CS..  trans-66.3151.8178.660.4172000111.2F90 F94 I135F90-I92 HydrophobicContact CD2-CG2 4.04Å; F90-I92 HydrophobicContact CE2-CG2 3.92Å; I92-F94 HydrophobicContact CD1-CE1 4.03Å; I92-F94 HydrophobicContact CD1-CE2 4.35Å; I92-F94 HydrophobicContact CD1-CZ 3.96Å; I92-I135 HydrophobicContact CD1-CD1 3.81Å; I92-I135 HydrophobicContact CG1-CD1 4.04Å
93T96.3Very high92.6Very high0 Ų051.7 Ų51.70%028%0.284CS..  trans-107.9-1.9-177.866.20000113.6C95 L98 D99 I106 L125 Q128 L129T93-C95 PolarHBondContact O-N 3.13Å; T93-C95 VanDerWaalsContact O-N 3.09Å; T93-C95 PolarHBondContact OG1-N 3.2Å; T93-C95 PolarHBondContact OG1-O 3.24Å; T93-L98 HydrophobicContact CG2-CD2 3.87Å; T93-L98 HydrophobicContact CG2-CG 4.23Å; T93-D99 VanDerWaalsContact CB-OD1 3.28Å; T93-D99 WeakPolarHBondContact CB-OD1 3.32Å; T93-D99 VanDerWaalsContact CG2-OD1 3.3Å; T93-D99 WeakPolarHBondContact CG2-OD1 3.15Å; T93-D99 PolarHBondContact N-OD1 3.01Å; T93-D99 PolarHBondContact N-OD2 2.85Å; T93-D99 VanDerWaalsContact OG1-CG 3.26Å; T93-D99 PolarHBondContact OG1-OD1 3.4Å; T93-D99 PolarHBondContact OG1-OD2 3.31Å; T93-I106 HydrophobicContact CG2-CD1 4.45Å; T93-I106 HydrophobicContact CG2-CG1 4.03Å; T93-L125 HydrophobicContact CG2-CD1 4.27Å; T93-Q128 PolarHBondContact O-NE2 3.22Å; T93-L129 HydrophobicContact CG2-CD2 4.22Å
94F95.6Very high92.8Very high28 Ų2847.5 Ų47.512%0.12327%0.27CS..SBendtrans56.115.5-168.9-69.9-71.8000114.8I92 D132 I135 H170 R338I92-F94 HydrophobicContact CD1-CE1 4.03Å; I92-F94 HydrophobicContact CD1-CE2 4.35Å; I92-F94 HydrophobicContact CD1-CZ 3.96Å; F94-D132 VanDerWaalsContact CD2-OD2 3.27Å; F94-D132 WeakPolarHBondContact CD2-OD2 3.36Å; F94-D132 VanDerWaalsContact CE2-OD1 3.29Å; F94-D132 WeakPolarHBondContact CE2-OD1 3.19Å; F94-I135 HydrophobicContact CE2-CD1 3.73Å; F94-I135 HydrophobicContact CZ-CD1 3.67Å; F94-H170 AromaticContact CE1-CD2 3.31Å; F94-H170 WeakPolarHBondContact CE1-CD2 3.48Å; F94-H170 AromaticContact CE1-NE2 3.58Å; F94-H170 AromaticContact CZ-CD2 3.97Å; F94-R338 VanDerWaalsContact CB-NH1 3.26Å; F94-R338 WeakPolarHBondContact O-CD 3.48Å
95C96.3Very high93.3Very high0 Ų043.7 Ų43.70%025%0.253CS..  trans-117.3100.2167.4177.60000106.7T93 A97 L98 D99 D339T93-C95 PolarHBondContact O-N 3.13Å; T93-C95 VanDerWaalsContact O-N 3.09Å; T93-C95 PolarHBondContact OG1-N 3.2Å; T93-C95 PolarHBondContact OG1-O 3.24Å; C95-A97 PolarHBondContact O-N 2.98Å; C95-L98 HydrophobicContact CB-CB 3.88Å; C95-L98 WeakPolarHBondContact O-CB 3.34Å; C95-L98 PolarHBondContact O-N 2.96Å; C95-D99 PolarHBondContact O-N 3.31Å; C95-D339 PolarHBondContact SG-OD1 3.42Å
96S95.8Very high94Very high61 Ų6138.3 Ų38.343%0.42723%0.228SC..Hα-helixtrans-57.2-35.6-176.664.80000112L98 D99 N100 D339S96-L98 PolarHBondContact O-N 3.27Å; S96-D99 PolarHBondContact O-N 3.34Å; S96-N100 WeakPolarHBondContact O-CB 3.46Å; S96-N100 PolarHBondContact O-N 2.98Å; S96-N100 PolarHBondContact O-ND2 2.89Å; S96-D339 WeakPolarHBondContact CB-OD2 3.42Å; S96-D339 PolarHBondContact N-OD1 2.9Å; S96-D339 PolarHBondContact N-OD2 3.37Å; S96-D339 PolarHBondContact OG-OD1 3.3Å; S96-D339 PolarHBondContact OG-OD2 2.75Å
97A96.1Very high94.6Very high25 Ų2531.9 Ų31.921%0.20720%0.199CC..Hα-helixtrans-63.9-39.4175.900000112.5C95 I101 I328 D339C95-A97 PolarHBondContact O-N 2.98Å; A97-I101 PolarHBondContact O-N 3.41Å; A97-I328 HydrophobicContact CB-CB 3.93Å; A97-I328 HydrophobicContact CB-CD1 4.2Å; A97-I328 HydrophobicContact CB-CG1 4.28Å; A97-I328 HydrophobicContact CB-CG2 4.12Å; A97-D339 PolarHBondContact N-OD1 3.05Å
98L96.7Very high95.3Very high0 Ų027.2 Ų27.20%017%0.17CC..Hα-helixtrans-71.1-45.6176.3-179.155.6000111.3T93 C95 S96 N100 I101 L102 L304 A315 I328T93-L98 HydrophobicContact CG2-CD2 3.87Å; T93-L98 HydrophobicContact CG2-CG 4.23Å; C95-L98 HydrophobicContact CB-CB 3.88Å; C95-L98 WeakPolarHBondContact O-CB 3.34Å; C95-L98 PolarHBondContact O-N 2.96Å; S96-L98 PolarHBondContact O-N 3.27Å; L98-N100 VanDerWaalsContact C-N 3.29Å; L98-N100 PolarHBondContact O-N 3.43Å; L98-I101 HydrophobicContact CD1-CD1 3.97Å; L98-I101 HydrophobicContact CD1-CG1 4.18Å; L98-I101 WeakPolarHBondContact O-CG1 3.45Å; L98-I101 PolarHBondContact O-N 2.8Å; L98-L102 HydrophobicContact CD1-CD1 3.9Å; L98-L102 HydrophobicContact CD1-CG 4.26Å; L98-L102 HydrophobicContact CG-CD1 3.94Å; L98-L102 VanDerWaalsContact O-CG 3.32Å; L98-L102 WeakPolarHBondContact O-CG 3.37Å; L98-L102 PolarHBondContact O-N 3.34Å; L98-L102 VanDerWaalsContact O-N 3.13Å; L98-L304 HydrophobicContact CD1-CD1 4.14Å; L98-L304 HydrophobicContact CD1-CD2 4.06Å; L98-A315 HydrophobicContact CD1-CB 4.37Å; L98-I328 HydrophobicContact CB-CD1 3.99Å
99D96.9Very high95.8Very high18 Ų1827.6 Ų27.610%0.09617%0.173CC..Hα-helixtrans-58.7-43.3177-69.6-20000110.6T93 C95 S96 I101 L102 G103 G104T93-D99 VanDerWaalsContact CB-OD1 3.28Å; T93-D99 WeakPolarHBondContact CB-OD1 3.32Å; T93-D99 VanDerWaalsContact CG2-OD1 3.3Å; T93-D99 WeakPolarHBondContact CG2-OD1 3.15Å; T93-D99 PolarHBondContact N-OD1 3.01Å; T93-D99 PolarHBondContact N-OD2 2.85Å; T93-D99 VanDerWaalsContact OG1-CG 3.26Å; T93-D99 PolarHBondContact OG1-OD1 3.4Å; T93-D99 PolarHBondContact OG1-OD2 3.31Å; C95-D99 PolarHBondContact O-N 3.31Å; S96-D99 PolarHBondContact O-N 3.34Å; D99-I101 PolarHBondContact O-N 2.86Å; D99-L102 CarbonylContact O-C 3.55Å; D99-L102 PolarHBondContact O-N 3.12Å; D99-G103 PolarHBondContact O-N 3.25Å; D99-G104 WeakPolarHBondContact CB-O 3.22Å; D99-G104 PolarHBondContact O-N 2.83Å
100N96.3Very high96.1Very high118 Ų11828.3 Ų28.363%0.63117%0.168SC*.Hα-helixtrans-61.1-46.9178.1-74.1-25.9000113.2S96 L98 L102 G103S96-N100 WeakPolarHBondContact O-CB 3.46Å; S96-N100 PolarHBondContact O-N 2.98Å; S96-N100 PolarHBondContact O-ND2 2.89Å; L98-N100 VanDerWaalsContact C-N 3.29Å; L98-N100 PolarHBondContact O-N 3.43Å; N100-L102 PolarHBondContact O-N 3.31Å; N100-G103 PolarHBondContact O-N 2.84Å; N100-G103 VanDerWaalsContact O-N 3.15Å
101I96.9Very high96.1Very high19 Ų1924.7 Ų24.710%0.09715%0.153CC..Hα-helixtrans-69.7-22.8179.162.5170.1000112.4A97 L98 D99 L317 Q323 I328A97-I101 PolarHBondContact O-N 3.41Å; L98-I101 HydrophobicContact CD1-CD1 3.97Å; L98-I101 HydrophobicContact CD1-CG1 4.18Å; L98-I101 WeakPolarHBondContact O-CG1 3.45Å; L98-I101 PolarHBondContact O-N 2.8Å; D99-I101 PolarHBondContact O-N 2.86Å; I101-L317 HydrophobicContact CD1-CB 4.12Å; I101-L317 WeakPolarHBondContact O-CD2 3.33Å; I101-Q323 WeakPolarHBondContact O-CB 3.27Å; I101-Q323 VanDerWaalsContact O-CG 3.29Å; I101-Q323 WeakPolarHBondContact O-CG 3.5Å; I101-I328 HydrophobicContact CD1-CG1 3.58Å; I101-I328 HydrophobicContact CD1-CG2 4.29Å; I101-I328 HydrophobicContact CG1-CG1 4.34Å; I101-I328 HydrophobicContact CG2-CG2 3.67Å
102L96.2Very high96.1Very high12 Ų1224.6 Ų24.66%0.06315%0.152CC..Hα-helixtrans-85.3-13.1174.2-67.2170.1000113.1L98 D99 N100 G105 I106 I302 L304 L317L98-L102 HydrophobicContact CD1-CD1 3.9Å; L98-L102 HydrophobicContact CD1-CG 4.26Å; L98-L102 HydrophobicContact CG-CD1 3.94Å; L98-L102 VanDerWaalsContact O-CG 3.32Å; L98-L102 WeakPolarHBondContact O-CG 3.37Å; L98-L102 PolarHBondContact O-N 3.34Å; L98-L102 VanDerWaalsContact O-N 3.13Å; D99-L102 CarbonylContact O-C 3.55Å; D99-L102 PolarHBondContact O-N 3.12Å; N100-L102 PolarHBondContact O-N 3.31Å; L102-G105 VanDerWaalsContact CB-O 3.27Å; L102-G105 WeakPolarHBondContact CB-O 3.46Å; L102-I106 HydrophobicContact CD1-CD1 3.73Å; L102-I106 HydrophobicContact CD1-CG1 4.49Å; L102-I302 HydrophobicContact CD2-CG2 4.03Å; L102-L304 HydrophobicContact CD2-CD1 4.44Å; L102-L304 HydrophobicContact CD2-CD2 4.25Å; L102-L317 HydrophobicContact CD2-CD1 4.18Å
103G93.1Very high96.2Very high47 Ų4723 Ų2349%0.48514%0.144SC..THydrogen-bonded Turntrans84.829.2-176.500000114.6D99 N100 Q323D99-G103 PolarHBondContact O-N 3.25Å; N100-G103 PolarHBondContact O-N 2.84Å; N100-G103 VanDerWaalsContact O-N 3.15Å; G103-Q323 VanDerWaalsContact CA-NE2 3.31Å
104G93.6Very high96.3Very high21 Ų2123 Ų2322%0.21614%0.144CC..SBendtrans136.3-31.4175.500000113.4F90 D99F90-G104 VanDerWaalsContact CD2-C 3.44Å; F90-G104 WeakPolarHBondContact CD2-O 3.42Å; F90-G104 VanDerWaalsContact CE2-O 3.28Å; F90-G104 WeakPolarHBondContact CE2-O 3.42Å; D99-G104 WeakPolarHBondContact CB-O 3.22Å; D99-G104 PolarHBondContact O-N 2.83Å
105G96.1Very high96.4Very high2 Ų221.6 Ų21.62%0.02114%0.138CC..SBendtrans158.2-164.7-176.500000110.7I91 L102 P107I91-G105 CarbonylContact O-C 3.58Å; I91-G105 WeakPolarHBondContact O-CA 3.5Å; L102-G105 VanDerWaalsContact CB-O 3.27Å; L102-G105 WeakPolarHBondContact CB-O 3.46Å; G105-P107 VanDerWaalsContact O-CD 3.25Å; G105-P107 WeakPolarHBondContact O-CD 3.44Å
106I97.9Very high96.4Very high0 Ų021.6 Ų21.60%014%0.138CC..EExtended strand (participates in β ladder)trans-69.8114.9174.5-58.2-66.4000109F90 I91 T93 L102 T112 L129 A270 I272F90-I106 CarbonylContact C-O 3.58Å; F90-I106 WeakPolarHBondContact CA-O 3.39Å; F90-I106 WeakPolarHBondContact CB-O 3.39Å; I91-I106 HydrophobicContact CB-CB 4.3Å; I91-I106 PolarHBondContact N-O 3.05Å; I91-I106 PolarHBondContact O-N 2.96Å; T93-I106 HydrophobicContact CG2-CD1 4.45Å; T93-I106 HydrophobicContact CG2-CG1 4.03Å; L102-I106 HydrophobicContact CD1-CD1 3.73Å; L102-I106 HydrophobicContact CD1-CG1 4.49Å; I106-T112 HydrophobicContact CD1-CG2 4.19Å; I106-L129 HydrophobicContact CD1-CD1 4.46Å; I106-L129 HydrophobicContact CG1-CD1 3.91Å; I106-L129 HydrophobicContact CG1-CD2 3.91Å; I106-A270 HydrophobicContact CG2-CB 4.08Å; I106-I272 HydrophobicContact CD1-CD1 4.16Å; I106-I272 HydrophobicContact CG1-CD1 4.37Å; I106-I272 HydrophobicContact CG2-CD1 3.5Å; I106-I272 VanDerWaalsContact CG2-CD1 3.5Å; I106-I272 HydrophobicContact CG2-CG1 4.45Å
107P96.2Very high96.4Very high16 Ų1620.7 Ų20.710%0.10413%0.13CC..EExtended strand (participates in β ladder)trans-73.9139.5-175.627.7-31.8000112G105 K110 I302G105-P107 VanDerWaalsContact O-CD 3.25Å; G105-P107 WeakPolarHBondContact O-CD 3.44Å; P107-K110 HydrophobicContact CB-CD 3.96Å; P107-K110 HydrophobicContact CG-CB 4.1Å; P107-K110 HydrophobicContact CG-CD 3.72Å; P107-K110 HydrophobicContact CG-CG 4.38Å; P107-I302 HydrophobicContact CG-CD1 3.34Å
108L96.1Very high96.3Very high12 Ų1224.9 Ų24.96%0.06316%0.155CC..THydrogen-bonded Turntrans-64.4166.8167.7-63.2179.7000111Q88 G89 I91 K110 V142 Q228 A270Q88-L108 PolarHBondContact NE2-O 2.9Å; G89-L108 WeakPolarHBondContact O-CB 3.4Å; G89-L108 WeakPolarHBondContact O-CG 3.24Å; G89-L108 PolarHBondContact O-N 3.46Å; G89-L108 VanDerWaalsContact O-N 3.17Å; I91-L108 HydrophobicContact CD1-CD2 4.24Å; I91-L108 HydrophobicContact CG1-CD2 4.27Å; L108-K110 PolarHBondContact O-N 3.05Å; L108-V142 HydrophobicContact CD1-CG1 4.15Å; L108-Q228 HydrophobicContact CD2-CB 4.31Å; L108-Q228 WeakPolarHBondContact CD2-O 3.44Å; L108-A270 HydrophobicContact CD2-CB 3.93Å
109M95Very high96.2Very high57 Ų5727.9 Ų27.928%0.28119%0.185SC..THydrogen-bonded Turntrans5616.8179.8-55.3173.370.600115.1A264 R268 L269M109-A264 WeakPolarHBondContact CA-O 3.45Å; M109-R268 HydrophobicContact CG-CB 4.29Å; M109-R268 HydrophobicContact CG-CG 4.4Å; M109-R268 HydrophobicContact SD-CG 4.11Å; M109-L269 WeakPolarHBondContact CA-O 3.29Å; M109-L269 PolarHBondContact N-O 3.35Å
110K95.5Very high96.1Very high42 Ų4227 Ų2718%0.18318%0.181CC..SBendtrans-132.2150.7179.5-66.6-178.2-173.8170.40109.8P107 L108 V271 T301 I302P107-K110 HydrophobicContact CB-CD 3.96Å; P107-K110 HydrophobicContact CG-CB 4.1Å; P107-K110 HydrophobicContact CG-CD 3.72Å; P107-K110 HydrophobicContact CG-CG 4.38Å; L108-K110 PolarHBondContact O-N 3.05Å; K110-V271 PolarHBondContact O-N 3.17Å; K110-T301 HydrophobicContact CD-CG2 4.15Å; K110-T301 HydrophobicContact CG-CG2 4.3Å; K110-I302 HydrophobicContact CD-CD1 4.33Å
111T97.1Very high96.2Very high4 Ų421.8 Ų21.83%0.02516%0.155CC..EExtended strand (participates in β ladder)trans-93.4125.3170.658.60000108.8M260 I261 V271 A299 A300 T301 I302T111-M260 HydrophobicContact CG2-CB 4.23Å; T111-I261 HydrophobicContact CG2-CG1 3.95Å; T111-V271 CarbonylContact C-O 3.57Å; T111-V271 WeakPolarHBondContact CA-O 3.36Å; T111-V271 HydrophobicContact CG2-CB 4.05Å; T111-V271 HydrophobicContact CG2-CG1 4.44Å; T111-V271 HydrophobicContact CG2-CG2 4.5Å; T111-A299 PolarHBondContact OG1-O 3.18Å; T111-A300 WeakPolarHBondContact OG1-CA 3.34Å; T111-T301 PolarHBondContact O-N 3.49Å; T111-T301 VanDerWaalsContact O-N 3.16Å; T111-T301 PolarHBondContact OG1-N 2.91Å; T111-T301 PolarHBondContact OG1-OG1 2.94Å; T111-I302 PolarHBondContact O-N 2.89Å
112T98Very high96.2Very high0 Ų021.4 Ų21.40%015%0.152CC..EExtended strand (participates in β ladder)trans-115.7122175.8-59.50000109.3I106 V271 I272 L273 I302 L304I106-T112 HydrophobicContact CD1-CG2 4.19Å; T112-V271 PolarHBondContact N-O 3.16Å; T112-I272 HydrophobicContact CG2-CD1 4.12Å; T112-I272 WeakPolarHBondContact O-CA 3.16Å; T112-L273 PolarHBondContact O-N 2.76Å; T112-I302 WeakPolarHBondContact CA-O 3.23Å; T112-I302 HydrophobicContact CG2-CB 4.16Å; T112-I302 HydrophobicContact CG2-CG2 3.92Å; T112-L304 HydrophobicContact CG2-CD1 4.29Å
113E98.1Very high96.3Very high0 Ų021.9 Ų21.90%016%0.156CC..EExtended strand (participates in β ladder)trans-99.7128.2176-174.6-176.2-151.300110.7C115 L273 N275 W296 A300 I302 R303 L304E113-C115 VanDerWaalsContact CD-SG 3.56Å; E113-L273 CarbonylContact C-O 3.49Å; E113-L273 VanDerWaalsContact CA-O 3.24Å; E113-L273 WeakPolarHBondContact CA-O 3.35Å; E113-N275 HydrophobicContact CG-CB 4.13Å; E113-N275 WeakPolarHBondContact OE1-CB 3.35Å; E113-N275 PolarHBondContact OE1-ND2 3.42Å; E113-W296 PolarHBondContact OE1-NE1 2.81Å; E113-A300 HydrophobicContact CB-CB 3.51Å; E113-I302 PolarHBondContact N-O 2.98Å; E113-R303 CarbonylContact O-C 3.58Å; E113-R303 WeakPolarHBondContact O-CA 3.47Å; E113-R303 IonicContact OE2-CZ 3.15Å; E113-R303 IonicContact OE2-NE 2.74Å; E113-R303 PolarHBondContact OE2-NE 3.38Å; E113-R303 IonicContact OE2-NH2 2.68Å; E113-R303 PolarHBondContact OE2-NH2 3.22Å; E113-L304 PolarHBondContact O-N 3.39Å
114V98.3Very high96.5Very high0 Ų022.1 Ų22.10%014%0.144CC..EExtended strand (participates in β ladder)trans-108.7106.8175.6-172.70000109K122 L125 I272 L273 T274 N275 L304 F306V114-K122 HydrophobicContact CG1-CB 4.35Å; V114-K122 HydrophobicContact CG1-CG 4.06Å; V114-L125 HydrophobicContact CG2-CD2 4.23Å; V114-I272 HydrophobicContact CG2-CG2 4.43Å; V114-L273 PolarHBondContact N-O 2.83Å; V114-T274 WeakPolarHBondContact O-CA 3.28Å; V114-N275 PolarHBondContact O-N 3.17Å; V114-L304 HydrophobicContact CG2-CD1 4.41Å; V114-F306 HydrophobicContact CG1-CD1 4.21Å; V114-F306 HydrophobicContact CG1-CD2 3.9Å; V114-F306 HydrophobicContact CG1-CE1 4.11Å; V114-F306 HydrophobicContact CG1-CE2 3.8Å; V114-F306 HydrophobicContact CG1-CG 4.12Å; V114-F306 HydrophobicContact CG1-CZ 3.92Å
115C97.8Very high96.8Very high0 Ų021.1 Ų21.10%013%0.134CC..EExtended strand (participates in β ladder)trans-99.3149.2179-58.30000110.6E113 N275 M277 P290 L304 I305 F306E113-C115 VanDerWaalsContact CD-SG 3.56Å; C115-N275 WeakPolarHBondContact CA-O 3.34Å; C115-M277 HydrophobicContact CB-CE 3.56Å; C115-M277 HydrophobicContact CB-SD 4.14Å; C115-P290 HydrophobicContact CB-CG 4.15Å; C115-L304 PolarHBondContact N-O 3.48Å; C115-I305 HydrophobicContact CB-CG1 4.37Å; C115-I305 CarbonylContact O-C 3.6Å; C115-I305 WeakPolarHBondContact O-CA 3.41Å; C115-F306 PolarHBondContact O-N 3.28Å
116G97Very high96.9Very high0 Ų021 Ų210%013%0.133CC..EExtended strand (participates in β ladder)trans166.2165.3172.700000114.3K122 N275 F306G116-K122 PolarHBondContact O-NZ 3.17Å; G116-N275 PolarHBondContact N-O 3.49Å; G116-F306 VanDerWaalsContact CA-O 3.27Å; G116-F306 WeakPolarHBondContact CA-O 3.27Å
117V94.6Very high96.9Very high42 Ų4221.1 Ų21.126%0.25513%0.133SC..  trans-64.1161.2177.7-62.20000112.1V120 K122 L288V117-V120 HydrophobicContact CG2-CB 4.05Å; V117-V120 WeakPolarHBondContact O-CG1 3.47Å; V117-V120 PolarHBondContact O-N 3.28Å; V117-K122 PolarHBondContact O-NZ 3.3Å; V117-L288 HydrophobicContact CG1-CD2 3.62Å
118P94.4Very high97Very high113 Ų11320.4 Ų20.473%0.73413%0.129SC*.THydrogen-bonded Turntrans-54.3145171.8-26.436.2000112.4V120P118-V120 PolarHBondContact O-N 2.99Å; P118-V120 VanDerWaalsContact O-N 3.17Å
119G94.2Very high97.1Very high62 Ų6219.9 Ų19.964%0.63913%0.126SC*.THydrogen-bonded Turntrans73.6-1.9176.500000116.6G121 R313G119-G121 VanDerWaalsContact C-N 3.3Å; G119-G121 PolarHBondContact O-N 3.05Å; G119-R313 PolarHBondContact O-NH2 3.17Å
120V96.8Very high97.3Very high0 Ų017.1 Ų17.10%011%0.112CC..SBendtrans-75.3-15.8-179.779.80000113.8V117 P118 K122 F306 W308 R313V117-V120 HydrophobicContact CG2-CB 4.05Å; V117-V120 WeakPolarHBondContact O-CG1 3.47Å; V117-V120 PolarHBondContact O-N 3.28Å; P118-V120 PolarHBondContact O-N 2.99Å; P118-V120 VanDerWaalsContact O-N 3.17Å; V120-K122 HydrophobicContact CG1-CG 3.99Å; V120-F306 HydrophobicContact CB-CB 4.3Å; V120-F306 HydrophobicContact CG1-CB 3.48Å; V120-F306 VanDerWaalsContact CG1-CB 3.48Å; V120-F306 HydrophobicContact CG1-CD2 4.3Å; V120-F306 HydrophobicContact CG1-CG 4.43Å; V120-F306 HydrophobicContact CG2-CB 3.82Å; V120-W308 HydrophobicContact CG2-CG 4.44Å; V120-R313 VanDerWaalsContact O-CD 3.26Å; V120-R313 WeakPolarHBondContact O-CD 3.38Å; V120-R313 PolarHBondContact O-NE 2.92Å
121G96.7Very high97.5Very high8 Ų815.1 Ų15.18%0.08210%0.104CC..SBendtrans116.811.4172.800000117.6G119 T123 Q124 L125 F337G119-G121 VanDerWaalsContact C-N 3.3Å; G119-G121 PolarHBondContact O-N 3.05Å; G121-T123 PolarHBondContact O-N 2.98Å; G121-Q124 WeakPolarHBondContact O-CB 3.38Å; G121-Q124 PolarHBondContact O-N 2.96Å; G121-Q124 VanDerWaalsContact O-N 3.12Å; G121-L125 PolarHBondContact O-N 3.04Å; G121-F337 WeakPolarHBondContact O-CE2 3.2Å; G121-F337 VanDerWaalsContact O-CZ 3.25Å; G121-F337 WeakPolarHBondContact O-CZ 3.41Å
122K97.8Very high97.5Very high12 Ų1215.2 Ų15.25%0.05210%0.104CC..Hα-helixtrans-54-55.1-178.8-54.2-174.4-64-73.10113.1V114 G116 V117 V120 Q124 L125 C126 T274 F306V114-K122 HydrophobicContact CG1-CB 4.35Å; V114-K122 HydrophobicContact CG1-CG 4.06Å; G116-K122 PolarHBondContact O-NZ 3.17Å; V117-K122 PolarHBondContact O-NZ 3.3Å; V120-K122 HydrophobicContact CG1-CG 3.99Å; K122-Q124 VanDerWaalsContact C-N 3.26Å; K122-Q124 PolarHBondContact O-N 3.07Å; K122-L125 WeakPolarHBondContact O-CB 3.38Å; K122-L125 PolarHBondContact O-N 3.24Å; K122-L125 VanDerWaalsContact O-N 3.16Å; K122-C126 PolarHBondContact O-N 3.22Å; K122-C126 VanDerWaalsContact O-N 3.14Å; K122-C126 PolarHBondContact O-SG 2.92Å; K122-T274 HydrophobicContact CB-CG2 4.14Å; K122-F306 HydrophobicContact CG-CD2 4.41Å
123T97.8Very high97.6Very high22 Ų2215.2 Ų15.214%0.13510%0.104CC..Hα-helixtrans-61.8-33.4176.6-51.70000112.6G121 L125 C126 M127 S154 D233G121-T123 PolarHBondContact O-N 2.98Å; T123-L125 VanDerWaalsContact C-N 3.32Å; T123-L125 PolarHBondContact O-N 3.48Å; T123-C126 PolarHBondContact O-N 3.2Å; T123-M127 HydrophobicContact CG2-CE 4.07Å; T123-M127 HydrophobicContact CG2-CG 4.34Å; T123-M127 HydrophobicContact CG2-SD 4.41Å; T123-M127 WeakPolarHBondContact O-CG 3.08Å; T123-M127 PolarHBondContact O-N 3.34Å; T123-S154 WeakPolarHBondContact CG2-OG 3.31Å; T123-D233 VanDerWaalsContact CB-OD2 3.27Å; T123-D233 WeakPolarHBondContact CB-OD2 3.25Å; T123-D233 WeakPolarHBondContact CG2-OD2 3.31Å; T123-D233 PolarHBondContact OG1-OD1 3.01Å; T123-D233 PolarHBondContact OG1-OD2 3.48Å
124Q98.1Very high97.6Very high52 Ų5215.8 Ų15.824%0.24311%0.107CC..Hα-helixtrans-64.7-38.1177.4-68.3-70.3-45.100111.3G121 K122 M127 Q128 I332 F337G121-Q124 WeakPolarHBondContact O-CB 3.38Å; G121-Q124 PolarHBondContact O-N 2.96Å; G121-Q124 VanDerWaalsContact O-N 3.12Å; K122-Q124 VanDerWaalsContact C-N 3.26Å; K122-Q124 PolarHBondContact O-N 3.07Å; Q124-M127 VanDerWaalsContact NE2-CE 3.28Å; Q124-Q128 WeakPolarHBondContact O-CB 3.31Å; Q124-Q128 PolarHBondContact O-N 3Å; Q124-I332 HydrophobicContact CB-CD1 3.96Å; Q124-I332 HydrophobicContact CB-CG2 4.36Å; Q124-I332 HydrophobicContact CG-CD1 4.18Å; Q124-I332 HydrophobicContact CG-CG2 4.32Å; Q124-F337 HydrophobicContact CB-CD2 4.35Å; Q124-F337 HydrophobicContact CB-CE2 3.61Å
125L98.4Very high97.6Very high0 Ų015.8 Ų15.80%011%0.107CC..Hα-helixtrans-67.3-44.3174.7177.563000109.8T93 V114 G121 K122 T123 Q128 L129 F306 F337T93-L125 HydrophobicContact CG2-CD1 4.27Å; V114-L125 HydrophobicContact CG2-CD2 4.23Å; G121-L125 PolarHBondContact O-N 3.04Å; K122-L125 WeakPolarHBondContact O-CB 3.38Å; K122-L125 PolarHBondContact O-N 3.24Å; K122-L125 VanDerWaalsContact O-N 3.16Å; T123-L125 VanDerWaalsContact C-N 3.32Å; T123-L125 PolarHBondContact O-N 3.48Å; L125-Q128 PolarHBondContact O-N 3.41Å; L125-L129 HydrophobicContact CD1-CD1 4.07Å; L125-L129 HydrophobicContact CD1-CG 4.02Å; L125-L129 HydrophobicContact CD2-CD1 4.37Å; L125-L129 HydrophobicContact CG-CD1 3.82Å; L125-L129 HydrophobicContact CG-CG 4.21Å; L125-L129 WeakPolarHBondContact O-CG 3.24Å; L125-L129 PolarHBondContact O-N 2.8Å; L125-F306 HydrophobicContact CB-CE2 4.46Å; L125-F306 HydrophobicContact CD2-CE2 4.17Å; L125-F306 HydrophobicContact CD2-CZ 3.77Å; L125-F337 VanDerWaalsContact CA-CE2 3.45Å; L125-F337 HydrophobicContact CB-CD2 4.08Å; L125-F337 HydrophobicContact CB-CE1 4.22Å; L125-F337 HydrophobicContact CB-CE2 3.6Å; L125-F337 HydrophobicContact CB-CZ 3.68Å; L125-F337 HydrophobicContact CD1-CD1 4.3Å; L125-F337 HydrophobicContact CD1-CD2 4.34Å; L125-F337 HydrophobicContact CD1-CG 4.2Å
126C98.6Very high97.5Very high0 Ų016.7 Ų16.70%011%0.112CC..Hα-helixtrans-60.9-48.2-179.7-64.50000112.6K122 T123 Q128 L129 A130 F148 I231 T274K122-C126 PolarHBondContact O-N 3.22Å; K122-C126 VanDerWaalsContact O-N 3.14Å; K122-C126 PolarHBondContact O-SG 2.92Å; T123-C126 PolarHBondContact O-N 3.2Å; C126-Q128 VanDerWaalsContact C-N 3.25Å; C126-Q128 PolarHBondContact O-N 3.26Å; C126-L129 PolarHBondContact O-N 3.24Å; C126-A130 PolarHBondContact O-N 3.27Å; C126-F148 HydrophobicContact CB-CE2 3.73Å; C126-F148 HydrophobicContact CB-CZ 4.07Å; C126-I231 HydrophobicContact CB-CD1 4.22Å; C126-I231 HydrophobicContact CB-CG2 3.8Å; C126-I231 WeakPolarHBondContact O-CD1 3.22Å; C126-T274 WeakPolarHBondContact SG-CG2 3.32Å
127M98.6Very high97.4Very high1 Ų123.7 Ų23.71%0.00515%0.145CC..Hα-helixtrans-61.4-35.9176.9-74-173.4-62.200112.2T123 Q124 F148 F155 M156 R159 V160 L163T123-M127 HydrophobicContact CG2-CE 4.07Å; T123-M127 HydrophobicContact CG2-CG 4.34Å; T123-M127 HydrophobicContact CG2-SD 4.41Å; T123-M127 WeakPolarHBondContact O-CG 3.08Å; T123-M127 PolarHBondContact O-N 3.34Å; Q124-M127 VanDerWaalsContact NE2-CE 3.28Å; M127-F148 HydrophobicContact CG-CE2 4.3Å; M127-F155 HydrophobicContact CG-CD2 4.07Å; M127-F155 HydrophobicContact CG-CE2 4.32Å; M127-M156 HydrophobicContact SD-CB 4.38Å; M127-R159 HydrophobicContact CE-CB 4.15Å; M127-R159 HydrophobicContact CE-CG 3.59Å; M127-R159 HydrophobicContact SD-CB 4.21Å; M127-R159 HydrophobicContact SD-CG 4.21Å; M127-V160 HydrophobicContact CB-CG2 4.12Å; M127-V160 HydrophobicContact CG-CG2 4.11Å; M127-V160 HydrophobicContact SD-CG2 4.12Å; M127-L163 HydrophobicContact CB-CD1 3.92Å
128Q98.6Very high97.3Very high2 Ų223.3 Ų23.31%0.00914%0.144CC..Hα-helixtrans-70.8-46176.2-179.4179.5-34.900111.6T93 Q124 L125 C126 A130 V131 D132 L163 G336T93-Q128 PolarHBondContact O-NE2 3.22Å; Q124-Q128 WeakPolarHBondContact O-CB 3.31Å; Q124-Q128 PolarHBondContact O-N 3Å; L125-Q128 PolarHBondContact O-N 3.41Å; C126-Q128 VanDerWaalsContact C-N 3.25Å; C126-Q128 PolarHBondContact O-N 3.26Å; Q128-A130 PolarHBondContact O-N 2.89Å; Q128-V131 CarbonylContact O-C 3.57Å; Q128-V131 WeakPolarHBondContact O-CA 3.43Å; Q128-V131 WeakPolarHBondContact O-CB 3.45Å; Q128-V131 PolarHBondContact O-N 3.1Å; Q128-D132 WeakPolarHBondContact CG-OD2 3.38Å; Q128-D132 PolarHBondContact NE2-OD2 2.91Å; Q128-D132 VanDerWaalsContact O-CG 3.31Å; Q128-D132 PolarHBondContact O-N 3.04Å; Q128-L163 HydrophobicContact CB-CD1 4.06Å; Q128-L163 HydrophobicContact CB-CD2 4.39Å; Q128-G336 VanDerWaalsContact OE1-CA 3.29Å
129L98.8Very high97.3Very high0 Ų019.1 Ų19.10%011%0.114CC..Hα-helixtrans-59.4-32.3177.2-71.3173.3000112.5I91 T93 I106 L125 C126 V131 D132 V133 L229 I272I91-L129 HydrophobicContact CB-CD2 4.34Å; I91-L129 HydrophobicContact CG2-CD2 3.69Å; T93-L129 HydrophobicContact CG2-CD2 4.22Å; I106-L129 HydrophobicContact CD1-CD1 4.46Å; I106-L129 HydrophobicContact CG1-CD1 3.91Å; I106-L129 HydrophobicContact CG1-CD2 3.91Å; L125-L129 HydrophobicContact CD1-CD1 4.07Å; L125-L129 HydrophobicContact CD1-CG 4.02Å; L125-L129 HydrophobicContact CD2-CD1 4.37Å; L125-L129 HydrophobicContact CG-CD1 3.82Å; L125-L129 HydrophobicContact CG-CG 4.21Å; L125-L129 WeakPolarHBondContact O-CG 3.24Å; L125-L129 PolarHBondContact O-N 2.8Å; C126-L129 PolarHBondContact O-N 3.24Å; L129-V131 PolarHBondContact O-N 3.2Å; L129-D132 PolarHBondContact O-N 3.3Å; L129-V133 PolarHBondContact O-N 3.21Å; L129-L229 VanDerWaalsContact C-CD2 3.42Å; L129-L229 HydrophobicContact CB-CD2 3.82Å; L129-L229 WeakPolarHBondContact O-CD2 3.25Å; L129-I272 HydrophobicContact CD1-CD1 4.18Å; L129-I272 HydrophobicContact CD1-CG1 4.02Å
130A98.8Very high97.1Very high0 Ų018.3 Ų18.30%011%0.106CC..Hα-helixtrans-62.6-25.2173.500000113.6C126 Q128 Q134 A146 F148 I199 I231C126-A130 PolarHBondContact O-N 3.27Å; Q128-A130 PolarHBondContact O-N 2.89Å; A130-Q134 PolarHBondContact O-NE2 3.43Å; A130-A146 HydrophobicContact CB-CB 3.94Å; A130-F148 HydrophobicContact CB-CD2 4.45Å; A130-I199 HydrophobicContact CB-CD1 4.19Å; A130-I199 HydrophobicContact CB-CG1 4.41Å; A130-I199 HydrophobicContact CB-CG2 4.36Å; A130-I231 HydrophobicContact CB-CD1 4.06Å
131V98.8Very high97Very high0 Ų018.9 Ų18.90%011%0.112CC..Hα-helixtrans-86.7-48170.2174.70000110.2Q128 L129 V133 Q134 V160 L163 A164 C167 I195 I199Q128-V131 CarbonylContact O-C 3.57Å; Q128-V131 WeakPolarHBondContact O-CA 3.43Å; Q128-V131 WeakPolarHBondContact O-CB 3.45Å; Q128-V131 PolarHBondContact O-N 3.1Å; L129-V131 PolarHBondContact O-N 3.2Å; V131-V133 VanDerWaalsContact C-N 3.31Å; V131-V133 PolarHBondContact O-N 3.17Å; V131-Q134 WeakPolarHBondContact O-CB 3.32Å; V131-Q134 WeakPolarHBondContact O-CG 3.36Å; V131-Q134 PolarHBondContact O-N 3.38Å; V131-V160 HydrophobicContact CG2-CG1 3.89Å; V131-L163 HydrophobicContact CG2-CB 4.39Å; V131-A164 HydrophobicContact CG1-CB 4.29Å; V131-A164 HydrophobicContact CG2-CB 4.28Å; V131-C167 HydrophobicContact CG1-CB 3.86Å; V131-I195 HydrophobicContact CB-CG2 4.47Å; V131-I195 HydrophobicContact CG1-CG2 4.13Å; V131-I195 HydrophobicContact CG2-CG2 4.13Å; V131-I199 HydrophobicContact CG2-CD1 4.4Å
132D98.4Very high97Very high5 Ų519.1 Ų19.13%0.02711%0.112CC..Hα-helixtrans-67.6-27.4-169.9-62.8-6.3000113.2I91 F94 Q128 L129 Q134 I135I91-D132 HydrophobicContact CG2-CB 4.03Å; F94-D132 VanDerWaalsContact CD2-OD2 3.27Å; F94-D132 WeakPolarHBondContact CD2-OD2 3.36Å; F94-D132 VanDerWaalsContact CE2-OD1 3.29Å; F94-D132 WeakPolarHBondContact CE2-OD1 3.19Å; Q128-D132 WeakPolarHBondContact CG-OD2 3.38Å; Q128-D132 PolarHBondContact NE2-OD2 2.91Å; Q128-D132 VanDerWaalsContact O-CG 3.31Å; Q128-D132 PolarHBondContact O-N 3.04Å; L129-D132 PolarHBondContact O-N 3.3Å; D132-Q134 PolarHBondContact O-N 3.08Å; D132-I135 HydrophobicContact CB-CD1 4.03Å; D132-I135 WeakPolarHBondContact O-CB 3.33Å; D132-I135 WeakPolarHBondContact O-CD1 3.49Å; D132-I135 VanDerWaalsContact O-CG1 3.22Å; D132-I135 WeakPolarHBondContact O-CG1 3.47Å; D132-I135 PolarHBondContact O-N 2.69Å
133V98.6Very high97Very high0 Ų021.1 Ų21.10%013%0.13CC..THydrogen-bonded Turntrans-59.6-26.1173.468.60000112.4I91 L129 V131 I135 V142 A143 G144 A146 Q228 L229I91-V133 HydrophobicContact CD1-CB 3.97Å; I91-V133 HydrophobicContact CD1-CG2 3.73Å; I91-V133 HydrophobicContact CG1-CB 4.29Å; I91-V133 HydrophobicContact CG1-CG2 4.09Å; I91-V133 HydrophobicContact CG2-CB 4.25Å; L129-V133 PolarHBondContact O-N 3.21Å; V131-V133 VanDerWaalsContact C-N 3.31Å; V131-V133 PolarHBondContact O-N 3.17Å; V133-I135 VanDerWaalsContact C-N 3.3Å; V133-I135 PolarHBondContact O-N 2.95Å; V133-V142 HydrophobicContact CG2-CG2 3.73Å; V133-V142 WeakPolarHBondContact O-CG2 3.25Å; V133-A143 PolarHBondContact O-N 2.9Å; V133-G144 PolarHBondContact O-N 3.21Å; V133-A146 HydrophobicContact CG1-CB 3.96Å; V133-Q228 HydrophobicContact CG2-CB 3.94Å; V133-L229 HydrophobicContact CB-CB 4.05Å; V133-L229 HydrophobicContact CB-CD2 4.08Å; V133-L229 HydrophobicContact CG1-CB 4.13Å; V133-L229 HydrophobicContact CG1-CD2 4.1Å; V133-L229 HydrophobicContact CG2-CB 3.79Å
134Q98.4Very high96.9Very high13 Ų1320.2 Ų20.26%0.06113%0.125CC..THydrogen-bonded Turntrans-84.8-6.6-175.5-43.7-169.235.600113.1A130 V131 D132 G144 F190 I195 H198 I199A130-Q134 PolarHBondContact O-NE2 3.43Å; V131-Q134 WeakPolarHBondContact O-CB 3.32Å; V131-Q134 WeakPolarHBondContact O-CG 3.36Å; V131-Q134 PolarHBondContact O-N 3.38Å; D132-Q134 PolarHBondContact O-N 3.08Å; Q134-G144 VanDerWaalsContact CA-O 3.24Å; Q134-G144 WeakPolarHBondContact CA-O 3.41Å; Q134-G144 VanDerWaalsContact CG-O 3.28Å; Q134-G144 WeakPolarHBondContact CG-O 3.47Å; Q134-F190 HydrophobicContact CB-CE2 4.01Å; Q134-F190 VanDerWaalsContact O-CE2 3.32Å; Q134-F190 WeakPolarHBondContact O-CE2 3.49Å; Q134-I195 PolarHBondContact NE2-O 2.97Å; Q134-I195 VanDerWaalsContact OE1-CA 3.31Å; Q134-I195 PolarHBondContact OE1-O 3.31Å; Q134-H198 VanDerWaalsContact OE1-CB 3.3Å; Q134-I199 VanDerWaalsContact NE2-CG1 3.34Å
135I98.1Very high97Very high0 Ų018.4 Ų18.40%012%0.117CC..SBendtrans-57.5131-179-67.1171000109.2I92 F94 D132 V133 F139 G141 V142 A143 L171 F190I92-I135 HydrophobicContact CD1-CD1 3.81Å; I92-I135 HydrophobicContact CG1-CD1 4.04Å; F94-I135 HydrophobicContact CE2-CD1 3.73Å; F94-I135 HydrophobicContact CZ-CD1 3.67Å; D132-I135 HydrophobicContact CB-CD1 4.03Å; D132-I135 WeakPolarHBondContact O-CB 3.33Å; D132-I135 WeakPolarHBondContact O-CD1 3.49Å; D132-I135 VanDerWaalsContact O-CG1 3.22Å; D132-I135 WeakPolarHBondContact O-CG1 3.47Å; D132-I135 PolarHBondContact O-N 2.69Å; V133-I135 VanDerWaalsContact C-N 3.3Å; V133-I135 PolarHBondContact O-N 2.95Å; I135-F139 HydrophobicContact CG2-CB 3.75Å; I135-G141 CarbonylContact O-C 3.34Å; I135-G141 VanDerWaalsContact O-CA 3.26Å; I135-G141 WeakPolarHBondContact O-CA 3.24Å; I135-V142 PolarHBondContact O-N 3.47Å; I135-V142 VanDerWaalsContact O-N 3.09Å; I135-A143 WeakPolarHBondContact O-CA 3.46Å; I135-A143 PolarHBondContact O-N 2.97Å; I135-L171 HydrophobicContact CG1-CD1 4.5Å; I135-L171 HydrophobicContact CG2-CD1 4.22Å; I135-L171 HydrophobicContact CG2-CD2 4.19Å; I135-F190 HydrophobicContact CG1-CZ 4.27Å
136P96.8Very high97Very high18 Ų1818.4 Ų18.412%0.11712%0.117CC..  trans-63.2151.1-179.2-22.232.1000113.6C138 F139 G141 A186 F190P136-C138 VanDerWaalsContact C-N 3.27Å; P136-C138 PolarHBondContact O-N 3.5Å; P136-F139 HydrophobicContact CB-CD2 4.05Å; P136-F139 HydrophobicContact CG-CD2 4.07Å; P136-F139 HydrophobicContact CG-CE2 4.49Å; P136-F139 PolarHBondContact O-N 2.99Å; P136-G141 PolarHBondContact O-N 3.1Å; P136-A186 HydrophobicContact CB-CB 4Å; P136-A186 HydrophobicContact CG-CB 4.05Å; P136-F190 HydrophobicContact CG-CD2 4.27Å
137E94.6Very high97Very high147 Ų14718.4 Ų18.469%0.68712%0.117SC*.G310 helixtrans-58.4-34.6-178.7-64.2-177172.900113.2F139 G140 A143E137-F139 PolarHBondContact O-N 3.16Å; E137-F139 VanDerWaalsContact O-N 3.13Å; E137-G140 WeakPolarHBondContact O-CA 3.32Å; E137-G140 PolarHBondContact O-N 3.18Å; E137-A143 HydrophobicContact CG-CB 4.36Å
138C93.1Very high97Very high34 Ų3418.3 Ų18.323%0.2312%0.117CC..G310 helixtrans-63.8-16.8176.163.60000113.5P136 E182 H183P136-C138 VanDerWaalsContact C-N 3.27Å; P136-C138 PolarHBondContact O-N 3.5Å; C138-E182 HydrophobicContact CB-CG 4.03Å; C138-H183 PolarHBondContact O-NE2 2.83Å
139F93.6Very high97Very high25 Ų2518.2 Ų18.211%0.1112%0.116CC..G310 helixtrans-102.111.6171.9-64.8-77.1000112.6I135 P136 E137 G141 L171 I174 A175 H183 A186 L187I135-F139 HydrophobicContact CG2-CB 3.75Å; P136-F139 HydrophobicContact CB-CD2 4.05Å; P136-F139 HydrophobicContact CG-CD2 4.07Å; P136-F139 HydrophobicContact CG-CE2 4.49Å; P136-F139 PolarHBondContact O-N 2.99Å; E137-F139 PolarHBondContact O-N 3.16Å; E137-F139 VanDerWaalsContact O-N 3.13Å; F139-G141 VanDerWaalsContact C-N 3.33Å; F139-L171 HydrophobicContact CB-CD2 3.91Å; F139-L171 HydrophobicContact CD1-CB 4.44Å; F139-L171 HydrophobicContact CD1-CD2 3.92Å; F139-L171 HydrophobicContact CD2-CD1 4.14Å; F139-L171 HydrophobicContact CD2-CD2 4.38Å; F139-L171 HydrophobicContact CE1-CB 4.22Å; F139-L171 HydrophobicContact CE2-CB 4.46Å; F139-L171 HydrophobicContact CE2-CD1 4.46Å; F139-L171 HydrophobicContact CG-CD1 4.41Å; F139-L171 HydrophobicContact CG-CD2 3.83Å; F139-L171 HydrophobicContact CZ-CB 4.23Å; F139-I174 HydrophobicContact CD1-CB 4.18Å; F139-I174 HydrophobicContact CD1-CD1 4.43Å; F139-I174 HydrophobicContact CD1-CG2 3.9Å; F139-I174 HydrophobicContact CE1-CB 4.03Å; F139-I174 HydrophobicContact CE1-CG2 3.96Å; F139-A175 HydrophobicContact CE1-CB 4.32Å; F139-A175 HydrophobicContact CZ-CB 4.19Å; F139-H183 AromaticContact CD1-CD2 3.7Å; F139-H183 HydrophobicContact CE1-CB 4.23Å; F139-H183 AromaticContact CE1-CD2 3.35Å; F139-H183 WeakPolarHBondContact CE1-CD2 3.35Å; F139-H183 AromaticContact CE1-CG 3.96Å; F139-H183 HydrophobicContact CE2-CB 4.45Å; F139-H183 AromaticContact CE2-CD2 3.86Å; F139-H183 HydrophobicContact CZ-CB 3.75Å; F139-H183 AromaticContact CZ-CD2 3.44Å; F139-H183 VanDerWaalsContact CZ-CD2 3.44Å; F139-H183 WeakPolarHBondContact CZ-CD2 3.18Å; F139-H183 AromaticContact CZ-CG 3.9Å; F139-A186 HydrophobicContact CE2-CB 4.18Å; F139-L187 HydrophobicContact CE2-CD2 4.25Å; F139-L187 HydrophobicContact CE2-CG 4.13Å; F139-L187 HydrophobicContact CZ-CD1 4.07Å; F139-L187 HydrophobicContact CZ-CD2 4.18Å; F139-L187 HydrophobicContact CZ-CG 3.94Å
140G90.6Very high97Very high46 Ų4618.2 Ų18.247%0.47412%0.116SC..THydrogen-bonded Turntrans78.214-178.200000114.5E137E137-G140 WeakPolarHBondContact O-CA 3.32Å; E137-G140 PolarHBondContact O-N 3.18Å
141G94.9Very high96.9Very high12 Ų1218.4 Ų18.412%0.12412%0.117CC..SBendtrans-88.3-165.5171.900000112.7I135 P136 F139I135-G141 CarbonylContact O-C 3.34Å; I135-G141 VanDerWaalsContact O-CA 3.26Å; I135-G141 WeakPolarHBondContact O-CA 3.24Å; P136-G141 PolarHBondContact O-N 3.1Å; F139-G141 VanDerWaalsContact C-N 3.33Å
142V96Very high96.5Very high13 Ų1321.3 Ų21.38%0.07913%0.131CC..  trans-120.2-1.9-176-61.90000113.6I91 L108 V133 I135 G144 Q228I91-V142 HydrophobicContact CG1-CG2 4.21Å; L108-V142 HydrophobicContact CD1-CG1 4.15Å; V133-V142 HydrophobicContact CG2-CG2 3.73Å; V133-V142 WeakPolarHBondContact O-CG2 3.25Å; I135-V142 PolarHBondContact O-N 3.47Å; I135-V142 VanDerWaalsContact O-N 3.09Å; V142-G144 PolarHBondContact O-N 3.05Å; V142-G144 VanDerWaalsContact O-N 3.16Å; V142-Q228 PolarHBondContact O-OE1 3.44Å
143A96.6Very high96.3Very high53 Ų5323.1 Ų23.144%0.43815%0.15SC..  trans51.833.1179.200000114.1V133 I135 E137V133-A143 PolarHBondContact O-N 2.9Å; I135-A143 WeakPolarHBondContact O-CA 3.46Å; I135-A143 PolarHBondContact O-N 2.97Å; E137-A143 HydrophobicContact CG-CB 4.36Å
144G97.4Very high96.1Very high3 Ų324.6 Ų24.63%0.03116%0.161CC..  trans-94.8179.2-176.800000114V133 Q134 V142 K226V133-G144 PolarHBondContact O-N 3.21Å; Q134-G144 VanDerWaalsContact CA-O 3.24Å; Q134-G144 WeakPolarHBondContact CA-O 3.41Å; Q134-G144 VanDerWaalsContact CG-O 3.28Å; Q134-G144 WeakPolarHBondContact CG-O 3.47Å; V142-G144 PolarHBondContact O-N 3.05Å; V142-G144 VanDerWaalsContact O-N 3.16Å; G144-K226 CarbonylContact C-O 3.48Å; G144-K226 VanDerWaalsContact CA-O 3.25Å; G144-K226 WeakPolarHBondContact CA-O 3.3Å
145E98.5Very high96Very high14 Ų1425.4 Ų25.47%0.06516%0.164CC..EExtended strand (participates in β ladder)trans-115.6165.2174.5-56.6179.6-174.500110.5H198 Y200 K226 V227 Q228 L229E145-H198 HydrophobicContact CB-CB 4.28Å; E145-H198 HydrophobicContact CG-CB 3.9Å; E145-H198 IonicContact OE1-CD2 2.77Å; E145-Y200 HydrophobicContact CB-CE2 4.16Å; E145-Y200 WeakPolarHBondContact OE2-CE2 3.41Å; E145-Y200 PolarHBondContact OE2-OH 2.79Å; E145-K226 HydrophobicContact CG-CB 3.77Å; E145-K226 PolarHBondContact N-O 2.66Å; E145-K226 VanDerWaalsContact OE1-CD 3.24Å; E145-K226 WeakPolarHBondContact OE1-CD 3.47Å; E145-V227 HydrophobicContact CB-CG2 4.03Å; E145-V227 WeakPolarHBondContact O-CA 3.28Å; E145-Q228 PolarHBondContact O-N 3.44Å; E145-L229 PolarHBondContact O-N 3.06Å
146A98.8Very high96Very high0 Ų030.7 Ų30.70%019%0.19CC..EExtended strand (participates in β ladder)trans-121.1137.3-174.400000112.8A130 V133 H198 I199 Y200 L229A130-A146 HydrophobicContact CB-CB 3.94Å; V133-A146 HydrophobicContact CG1-CB 3.96Å; A146-H198 PolarHBondContact N-O 3.11Å; A146-I199 HydrophobicContact CB-CG1 4.4Å; A146-I199 WeakPolarHBondContact O-CA 3.43Å; A146-Y200 WeakPolarHBondContact O-CD2 3.47Å; A146-Y200 PolarHBondContact O-N 3.49Å; A146-L229 WeakPolarHBondContact CA-O 3.45Å; A146-L229 HydrophobicContact CB-CB 4.47Å; A146-L229 HydrophobicContact CB-CD2 4.41Å
147V98.8Very high96Very high0 Ų033.8 Ų33.80%021%0.208CC..EExtended strand (participates in β ladder)trans-105.6127.4163170.90000108.5I149 Y200 F202 L217 F220 V227 L229 V230 I231V147-I149 HydrophobicContact CG1-CG1 4.1Å; V147-Y200 CarbonylContact C-O 3.59Å; V147-Y200 WeakPolarHBondContact CA-O 3.42Å; V147-Y200 HydrophobicContact CG2-CD2 4.18Å; V147-F202 HydrophobicContact CG1-CD2 3.85Å; V147-F202 HydrophobicContact CG1-CE2 3.83Å; V147-L217 HydrophobicContact CG1-CD2 4.03Å; V147-F220 HydrophobicContact CG2-CD1 4.19Å; V147-F220 HydrophobicContact CG2-CE1 3.65Å; V147-V227 HydrophobicContact CB-CG1 4.49Å; V147-V227 HydrophobicContact CG2-CG1 3.84Å; V147-V227 HydrophobicContact CG2-CG2 4.16Å; V147-L229 PolarHBondContact N-O 3.49Å; V147-V230 HydrophobicContact CB-CG2 4.24Å; V147-V230 CarbonylContact O-C 3.5Å; V147-V230 WeakPolarHBondContact O-CA 3.42Å; V147-I231 PolarHBondContact O-N 2.87Å
148F98.8Very high96.2Very high0 Ų032.8 Ų32.80%021%0.208CC..EExtended strand (participates in β ladder)trans-118108.3178.6-160-69.3000110C126 M127 A130 D150 F155 Y200 Y201 F202 I231 D233C126-F148 HydrophobicContact CB-CE2 3.73Å; C126-F148 HydrophobicContact CB-CZ 4.07Å; M127-F148 HydrophobicContact CG-CE2 4.3Å; A130-F148 HydrophobicContact CB-CD2 4.45Å; F148-D150 HydrophobicContact CD1-CB 3.98Å; F148-D150 HydrophobicContact CE1-CB 3.87Å; F148-F155 HydrophobicContact CB-CE2 4.39Å; F148-F155 AromaticContact CD1-CD2 3.74Å; F148-F155 HydrophobicContact CD1-CD2 3.74Å; F148-F155 HydrophobicContact CD1-CE2 4.34Å; F148-F155 HydrophobicContact CD1-CG 4.39Å; F148-F155 AromaticContact CD2-CD2 3.8Å; F148-F155 HydrophobicContact CD2-CD2 3.8Å; F148-F155 AromaticContact CD2-CE2 3.8Å; F148-F155 HydrophobicContact CD2-CE2 3.8Å; F148-F155 HydrophobicContact CE1-CB 4.18Å; F148-F155 AromaticContact CE1-CD2 3.75Å; F148-F155 HydrophobicContact CE1-CD2 3.75Å; F148-F155 HydrophobicContact CE1-CG 4.38Å; F148-F155 AromaticContact CE2-CD2 3.79Å; F148-F155 HydrophobicContact CE2-CD2 3.79Å; F148-F155 HydrophobicContact CE2-CE2 4.12Å; F148-F155 AromaticContact CG-CD2 3.77Å; F148-F155 HydrophobicContact CG-CD2 3.77Å; F148-F155 AromaticContact CG-CE2 3.92Å; F148-F155 HydrophobicContact CG-CE2 3.92Å; F148-F155 AromaticContact CZ-CD2 3.79Å; F148-F155 HydrophobicContact CZ-CD2 3.79Å; F148-Y200 PolarHBondContact N-O 2.87Å; F148-Y201 HydrophobicContact CD1-CD2 4.26Å; F148-Y201 HydrophobicContact CD1-CE2 4.4Å; F148-Y201 WeakPolarHBondContact O-CA 3.48Å; F148-F202 PolarHBondContact O-N 3.34Å; F148-I231 HydrophobicContact CD2-CB 4.07Å; F148-I231 HydrophobicContact CD2-CD1 3.64Å; F148-I231 HydrophobicContact CD2-CG1 4.49Å; F148-I231 HydrophobicContact CD2-CG2 3.95Å; F148-I231 HydrophobicContact CE1-CG2 4.44Å; F148-I231 HydrophobicContact CE2-CB 4.38Å; F148-I231 HydrophobicContact CE2-CD1 3.96Å; F148-I231 HydrophobicContact CE2-CG2 3.78Å; F148-I231 HydrophobicContact CG-CB 4.42Å; F148-I231 HydrophobicContact CG-CG2 4.38Å; F148-I231 HydrophobicContact CZ-CG2 4.03Å; F148-D233 HydrophobicContact CE1-CB 3.79Å; F148-D233 HydrophobicContact CZ-CB 3.83Å
149I98.7Very high96.4Very high0 Ų033.2 Ų33.20%021%0.205CC..EExtended strand (participates in β ladder)trans-97.8110.3173.9-56.9174.4000107.9V147 F202 L210 Q213 V214 L217 I231 I232 D233V147-I149 HydrophobicContact CG1-CG1 4.1Å; I149-F202 CarbonylContact C-O 3.6Å; I149-F202 WeakPolarHBondContact CA-O 3.39Å; I149-F202 HydrophobicContact CG1-CB 4.31Å; I149-F202 HydrophobicContact CG1-CD2 4.42Å; I149-L210 HydrophobicContact CG2-CD1 3.77Å; I149-Q213 HydrophobicContact CD1-CG 3.79Å; I149-Q213 HydrophobicContact CG1-CG 4.16Å; I149-V214 HydrophobicContact CD1-CG2 4.35Å; I149-L217 HydrophobicContact CD1-CD1 4.09Å; I149-I231 WeakPolarHBondContact CB-O 3.32Å; I149-I231 PolarHBondContact N-O 2.89Å; I149-I232 HydrophobicContact CB-CG1 4.27Å; I149-I232 HydrophobicContact CB-CG2 4.5Å; I149-I232 HydrophobicContact CD1-CG1 4.22Å; I149-I232 HydrophobicContact CG2-CG2 4.4Å; I149-I232 CarbonylContact O-C 3.56Å; I149-I232 WeakPolarHBondContact O-CA 3.36Å; I149-D233 PolarHBondContact O-N 3.17Å
150D98.3Very high96.6Very high0 Ų032.1 Ų32.10%020%0.2CC..EExtended strand (participates in β ladder)trans-104.7118.1-176.4-179.410.4000110.6F148 E152 G153 S154 F155 Y201 F202 R203 C204F148-D150 HydrophobicContact CD1-CB 3.98Å; F148-D150 HydrophobicContact CE1-CB 3.87Å; D150-E152 PolarHBondContact OD1-N 3.24Å; D150-G153 PolarHBondContact OD1-N 3.25Å; D150-G153 WeakPolarHBondContact OD2-CA 3.45Å; D150-G153 PolarHBondContact OD2-N 3.06Å; D150-S154 PolarHBondContact OD2-N 3.41Å; D150-F155 PolarHBondContact OD2-N 3.21Å; D150-Y201 HydrophobicContact CB-CD2 4.39Å; D150-Y201 HydrophobicContact CB-CE2 3.39Å; D150-Y201 PolarHBondContact OD2-OH 2.86Å; D150-F202 PolarHBondContact N-O 3.02Å; D150-R203 PolarHBondContact O-NH1 3.31Å; D150-R203 IonicContact OD1-NH1 3.9Å; D150-R203 PolarHBondContact OD1-NH1 2.81Å; D150-R203 IonicContact OD2-NH1 3.25Å; D150-C204 PolarHBondContact O-N 3.35Å
151T96.5Very high97Very high4 Ų431.7 Ų31.73%0.02519%0.188CC..SBendtrans-102.1-20.3174.870.90000113R203 C204 L210 I232 D233 G234 L237 P238T151-R203 VanDerWaalsContact CA-NH1 3.34Å; T151-R203 PolarHBondContact O-NH1 2.8Å; T151-R203 VanDerWaalsContact O-NH1 3.09Å; T151-R203 PolarHBondContact O-NH2 3.36Å; T151-R203 VanDerWaalsContact O-NH2 3.14Å; T151-C204 WeakPolarHBondContact CA-O 3.48Å; T151-C204 HydrophobicContact CG2-CB 4.41Å; T151-L210 HydrophobicContact CG2-CD1 4.35Å; T151-L210 HydrophobicContact CG2-CD2 4.34Å; T151-I232 HydrophobicContact CG2-CG2 4.43Å; T151-D233 PolarHBondContact N-O 3.01Å; T151-D233 PolarHBondContact OG1-O 2.63Å; T151-G234 VanDerWaalsContact OG1-C 3.26Å; T151-G234 WeakPolarHBondContact OG1-CA 3.39Å; T151-G234 PolarHBondContact OG1-O 3.03Å; T151-L237 WeakPolarHBondContact O-CD2 3.35Å; T151-P238 HydrophobicContact CG2-CG 3.75Å
152E91.6Very high97.2Very high61 Ų6134 Ų3429%0.28520%0.2SC..SBendtrans-91.9-31.9-176-56.6-159.7170.600113.2D150 R203 L237 Q276D150-E152 PolarHBondContact OD1-N 3.24Å; E152-R203 VanDerWaalsContact N-NH1 3.15Å; E152-R203 PolarHBondContact O-NH2 3.21Å; E152-L237 HydrophobicContact CB-CD2 4.38Å; E152-L237 HydrophobicContact CG-CD2 3.99Å; E152-Q276 PolarHBondContact OE1-NE2 2.96Å
153G93.9Very high97.3Very high42 Ų4233.6 Ų33.643%0.43320%0.197SC..SBendtrans96.223.2179.100000110.9D150 R203D150-G153 PolarHBondContact OD1-N 3.25Å; D150-G153 WeakPolarHBondContact OD2-CA 3.45Å; D150-G153 PolarHBondContact OD2-N 3.06Å; G153-R203 VanDerWaalsContact CA-CZ 3.41Å; G153-R203 VanDerWaalsContact N-CZ 3.32Å
154S93.7Very high97.4Very high31 Ų3131 Ų3122%0.21718%0.176CC..  trans-100.6-1.1-166.458.60000112.6T123 D150 M156 D233T123-S154 WeakPolarHBondContact CG2-OG 3.31Å; D150-S154 PolarHBondContact OD2-N 3.41Å; S154-M156 PolarHBondContact O-N 3.17Å; S154-D233 PolarHBondContact OG-OD2 3.11Å
155F97.2Very high97.5Very high31 Ų3133.9 Ų33.914%0.13619%0.191CC..  trans-71.1113.5175.7-172.8-95.3000110.9M127 F148 D150 V157 V160 I199 Y201M127-F155 HydrophobicContact CG-CD2 4.07Å; M127-F155 HydrophobicContact CG-CE2 4.32Å; F148-F155 HydrophobicContact CB-CE2 4.39Å; F148-F155 AromaticContact CD1-CD2 3.74Å; F148-F155 HydrophobicContact CD1-CD2 3.74Å; F148-F155 HydrophobicContact CD1-CE2 4.34Å; F148-F155 HydrophobicContact CD1-CG 4.39Å; F148-F155 AromaticContact CD2-CD2 3.8Å; F148-F155 HydrophobicContact CD2-CD2 3.8Å; F148-F155 AromaticContact CD2-CE2 3.8Å; F148-F155 HydrophobicContact CD2-CE2 3.8Å; F148-F155 HydrophobicContact CE1-CB 4.18Å; F148-F155 AromaticContact CE1-CD2 3.75Å; F148-F155 HydrophobicContact CE1-CD2 3.75Å; F148-F155 HydrophobicContact CE1-CG 4.38Å; F148-F155 AromaticContact CE2-CD2 3.79Å; F148-F155 HydrophobicContact CE2-CD2 3.79Å; F148-F155 HydrophobicContact CE2-CE2 4.12Å; F148-F155 AromaticContact CG-CD2 3.77Å; F148-F155 HydrophobicContact CG-CD2 3.77Å; F148-F155 AromaticContact CG-CE2 3.92Å; F148-F155 HydrophobicContact CG-CE2 3.92Å; F148-F155 AromaticContact CZ-CD2 3.79Å; F148-F155 HydrophobicContact CZ-CD2 3.79Å; D150-F155 PolarHBondContact OD2-N 3.21Å; F155-V157 HydrophobicContact CD1-CG2 4.3Å; F155-V157 HydrophobicContact CE1-CG2 3.95Å; F155-V160 HydrophobicContact CE1-CG2 4.37Å; F155-V160 HydrophobicContact CE2-CG2 3.83Å; F155-V160 HydrophobicContact CZ-CG2 3.71Å; F155-I199 HydrophobicContact CE2-CG2 4.41Å; F155-I199 HydrophobicContact CZ-CG2 4.09Å; F155-Y201 HydrophobicContact CB-CD2 4.08Å; F155-Y201 HydrophobicContact CB-CE2 3.46Å; F155-Y201 VanDerWaalsContact CB-CE2 3.46Å; F155-Y201 AromaticContact CD1-CD2 3.69Å; F155-Y201 HydrophobicContact CD1-CD2 3.69Å; F155-Y201 AromaticContact CD1-CE2 3.83Å; F155-Y201 HydrophobicContact CD1-CE2 3.83Å; F155-Y201 HydrophobicContact CD1-CG 4.46Å; F155-Y201 HydrophobicContact CD2-CD2 4.28Å; F155-Y201 HydrophobicContact CD2-CE2 4.46Å; F155-Y201 HydrophobicContact CE1-CD2 4.14Å; F155-Y201 AromaticContact CG-CD2 3.76Å; F155-Y201 HydrophobicContact CG-CD2 3.76Å; F155-Y201 AromaticContact CG-CE2 3.68Å; F155-Y201 HydrophobicContact CG-CE2 3.68Å
156M97.1Very high97.5Very high110 Ų11033.5 Ų33.554%0.54219%0.19SC..  trans-112.6107.8-176.3-64.7-65.7-68.900110.1M127 S154 D158 R159 V160M127-M156 HydrophobicContact SD-CB 4.38Å; S154-M156 PolarHBondContact O-N 3.17Å; M156-D158 VanDerWaalsContact C-N 3.35Å; M156-D158 PolarHBondContact O-N 3.48Å; M156-R159 HydrophobicContact CB-CB 3.86Å; M156-R159 WeakPolarHBondContact O-CA 3.37Å; M156-R159 VanDerWaalsContact O-CB 3.29Å; M156-R159 WeakPolarHBondContact O-CB 3.25Å; M156-R159 PolarHBondContact O-N 2.99Å; M156-V160 PolarHBondContact O-N 3.49Å; M156-V160 VanDerWaalsContact O-N 3.08Å
157V97.3Very high97.4Very high83 Ų8333.6 Ų33.650%0.50319%0.191SC..Hα-helixtrans-58.6-44.1-176.9-178.90000111.8F155 R159 V160 V161F155-V157 HydrophobicContact CD1-CG2 4.3Å; F155-V157 HydrophobicContact CE1-CG2 3.95Å; V157-R159 PolarHBondContact O-N 3.37Å; V157-R159 VanDerWaalsContact O-N 3.15Å; V157-V160 CarbonylContact O-C 3.58Å; V157-V160 WeakPolarHBondContact O-CA 3.46Å; V157-V160 WeakPolarHBondContact O-CB 3.36Å; V157-V160 PolarHBondContact O-N 2.84Å; V157-V161 HydrophobicContact CG1-CG2 4.38Å; V157-V161 WeakPolarHBondContact O-CG2 3.19Å; V157-V161 PolarHBondContact O-N 2.98Å
158D98.1Very high97.4Very high127 Ų12734.6 Ų34.668%0.67920%0.196SC*.Hα-helixtrans-57.4-33.5176.7-66.2-27.6000112.5M156 T162M156-D158 VanDerWaalsContact C-N 3.35Å; M156-D158 PolarHBondContact O-N 3.48Å; D158-T162 PolarHBondContact O-N 3.23Å; D158-T162 VanDerWaalsContact O-N 3.08Å; D158-T162 PolarHBondContact O-OG1 2.92Å
159R98.1Very high97.2Very high43 Ų4340.4 Ų40.416%0.16222%0.223CC..Hα-helixtrans-71.1-43.1175.9-175.855.51771545.4110.9M127 M156 V157 V161 T162 L163 T333 P334M127-R159 HydrophobicContact CE-CB 4.15Å; M127-R159 HydrophobicContact CE-CG 3.59Å; M127-R159 HydrophobicContact SD-CB 4.21Å; M127-R159 HydrophobicContact SD-CG 4.21Å; M156-R159 HydrophobicContact CB-CB 3.86Å; M156-R159 WeakPolarHBondContact O-CA 3.37Å; M156-R159 VanDerWaalsContact O-CB 3.29Å; M156-R159 WeakPolarHBondContact O-CB 3.25Å; M156-R159 PolarHBondContact O-N 2.99Å; V157-R159 PolarHBondContact O-N 3.37Å; V157-R159 VanDerWaalsContact O-N 3.15Å; R159-V161 VanDerWaalsContact C-N 3.32Å; R159-V161 PolarHBondContact O-N 3.08Å; R159-T162 WeakPolarHBondContact O-CB 3.43Å; R159-T162 PolarHBondContact O-N 3.07Å; R159-T162 VanDerWaalsContact O-N 3.16Å; R159-L163 HydrophobicContact CG-CD1 4.26Å; R159-L163 VanDerWaalsContact O-CG 3.31Å; R159-L163 WeakPolarHBondContact O-CG 3.44Å; R159-L163 PolarHBondContact O-N 3.35Å; R159-T333 PolarHBondContact NH2-O 3.2Å; R159-P334 PolarHBondContact NH1-O 2.84Å
160V98.6Very high97.1Very high1 Ų143.8 Ų43.81%0.00624%0.239CC..Hα-helixtrans-60.3-42.4174-179.90000110.9M127 V131 F155 M156 V157 T162 L163 A164 L196 I199M127-V160 HydrophobicContact CB-CG2 4.12Å; M127-V160 HydrophobicContact CG-CG2 4.11Å; M127-V160 HydrophobicContact SD-CG2 4.12Å; V131-V160 HydrophobicContact CG2-CG1 3.89Å; F155-V160 HydrophobicContact CE1-CG2 4.37Å; F155-V160 HydrophobicContact CE2-CG2 3.83Å; F155-V160 HydrophobicContact CZ-CG2 3.71Å; M156-V160 PolarHBondContact O-N 3.49Å; M156-V160 VanDerWaalsContact O-N 3.08Å; V157-V160 CarbonylContact O-C 3.58Å; V157-V160 WeakPolarHBondContact O-CA 3.46Å; V157-V160 WeakPolarHBondContact O-CB 3.36Å; V157-V160 PolarHBondContact O-N 2.84Å; V160-T162 VanDerWaalsContact C-N 3.29Å; V160-T162 PolarHBondContact O-N 2.8Å; V160-L163 PolarHBondContact O-N 3.14Å; V160-L163 VanDerWaalsContact O-N 3.14Å; V160-A164 WeakPolarHBondContact O-CB 3.43Å; V160-A164 PolarHBondContact O-N 3.35Å; V160-L196 HydrophobicContact CB-CD2 4.49Å; V160-L196 HydrophobicContact CG1-CD2 3.8Å; V160-I199 HydrophobicContact CG1-CD1 3.75Å
161V98.7Very high96.9Very high38 Ų3844 Ų4423%0.2324%0.24CC..Hα-helixtrans-56.9-43.6173.8170.50000111.2V157 R159 A164 N165 L192 L196V157-V161 HydrophobicContact CG1-CG2 4.38Å; V157-V161 WeakPolarHBondContact O-CG2 3.19Å; V157-V161 PolarHBondContact O-N 2.98Å; R159-V161 VanDerWaalsContact C-N 3.32Å; R159-V161 PolarHBondContact O-N 3.08Å; V161-A164 PolarHBondContact O-N 3Å; V161-N165 WeakPolarHBondContact CG1-ND2 3.31Å; V161-N165 WeakPolarHBondContact O-CB 3.18Å; V161-N165 PolarHBondContact O-N 3.16Å; V161-N165 PolarHBondContact O-ND2 3.15Å; V161-L192 HydrophobicContact CB-CD1 4.45Å; V161-L192 HydrophobicContact CG1-CD1 4.18Å; V161-L192 HydrophobicContact CG1-CD2 4.09Å; V161-L192 HydrophobicContact CG2-CD1 4.44Å; V161-L196 HydrophobicContact CG2-CD1 3.99Å; V161-L196 HydrophobicContact CG2-CD2 4.29Å
162T98.6Very high96.8Very high59 Ų5948.2 Ų48.236%0.36226%0.259SS..Hα-helixtrans-62.8-44.2177.3-53.40000111.4D158 R159 V160 A166 P334D158-T162 PolarHBondContact O-N 3.23Å; D158-T162 VanDerWaalsContact O-N 3.08Å; D158-T162 PolarHBondContact O-OG1 2.92Å; R159-T162 WeakPolarHBondContact O-CB 3.43Å; R159-T162 PolarHBondContact O-N 3.07Å; R159-T162 VanDerWaalsContact O-N 3.16Å; V160-T162 VanDerWaalsContact C-N 3.29Å; V160-T162 PolarHBondContact O-N 2.8Å; T162-A166 PolarHBondContact O-N 3.01Å; T162-A166 VanDerWaalsContact O-N 3.09Å; T162-P334 VanDerWaalsContact CG2-O 3.25Å; T162-P334 WeakPolarHBondContact CG2-O 3.18Å
163L98.6Very high96.8Very high5 Ų551.2 Ų51.23%0.02628%0.276CS..Hα-helixtrans-66.5-43179.3-65.3168000111.7M127 Q128 V131 R159 V160 A166 C167M127-L163 HydrophobicContact CB-CD1 3.92Å; Q128-L163 HydrophobicContact CB-CD1 4.06Å; Q128-L163 HydrophobicContact CB-CD2 4.39Å; V131-L163 HydrophobicContact CG2-CB 4.39Å; R159-L163 HydrophobicContact CG-CD1 4.26Å; R159-L163 VanDerWaalsContact O-CG 3.31Å; R159-L163 WeakPolarHBondContact O-CG 3.44Å; R159-L163 PolarHBondContact O-N 3.35Å; V160-L163 PolarHBondContact O-N 3.14Å; V160-L163 VanDerWaalsContact O-N 3.14Å; L163-A166 PolarHBondContact O-N 3.5Å; L163-C167 PolarHBondContact O-N 3Å
164A98.6Very high96.7Very high0 Ų051.6 Ų51.60%027%0.268CS..Hα-helixtrans-60.1-48176.100000111.9V131 V160 V161 A166 C167 I168 L192 I195V131-A164 HydrophobicContact CG1-CB 4.29Å; V131-A164 HydrophobicContact CG2-CB 4.28Å; V160-A164 WeakPolarHBondContact O-CB 3.43Å; V160-A164 PolarHBondContact O-N 3.35Å; V161-A164 PolarHBondContact O-N 3Å; A164-A166 VanDerWaalsContact C-N 3.31Å; A164-A166 PolarHBondContact O-N 2.88Å; A164-C167 WeakPolarHBondContact O-CB 3.42Å; A164-C167 PolarHBondContact O-N 3.45Å; A164-I168 VanDerWaalsContact O-CG1 3.29Å; A164-I168 WeakPolarHBondContact O-CG1 3.46Å; A164-I168 PolarHBondContact O-N 3.36Å; A164-L192 HydrophobicContact CB-CD1 3.62Å; A164-I195 HydrophobicContact CB-CD1 4.13Å; A164-I195 HydrophobicContact CB-CG2 3.91Å
165N98.4Very high96.6Very high62 Ų6250.7 Ų50.733%0.33226%0.262SS..Hα-helixtrans-60.7-40.7175.8-78.1-57.7000112.2V161 C167 I168 Q169V161-N165 WeakPolarHBondContact CG1-ND2 3.31Å; V161-N165 WeakPolarHBondContact O-CB 3.18Å; V161-N165 PolarHBondContact O-N 3.16Å; V161-N165 PolarHBondContact O-ND2 3.15Å; N165-C167 VanDerWaalsContact C-N 3.35Å; N165-I168 PolarHBondContact O-N 3.14Å; N165-Q169 WeakPolarHBondContact O-CB 3.27Å; N165-Q169 VanDerWaalsContact O-CG 3.23Å; N165-Q169 WeakPolarHBondContact O-CG 3.29Å; N165-Q169 PolarHBondContact O-N 3.08Å
166A98.2Very high96.1Very high7 Ų751.9 Ų51.96%0.05828%0.284CS..Hα-helixtrans-64.1-40176.100000112.2T162 L163 A164 H170 Q335T162-A166 PolarHBondContact O-N 3.01Å; T162-A166 VanDerWaalsContact O-N 3.09Å; L163-A166 PolarHBondContact O-N 3.5Å; A164-A166 VanDerWaalsContact C-N 3.31Å; A164-A166 PolarHBondContact O-N 2.88Å; A166-H170 WeakPolarHBondContact O-CB 3.44Å; A166-H170 PolarHBondContact O-N 3.27Å; A166-Q335 HydrophobicContact CB-CB 3.85Å; A166-Q335 HydrophobicContact CB-CG 4.06Å
167C98Very high95.5Very high1 Ų151.7 Ų51.71%0.00729%0.288CS..Hα-helixtrans-64-49.6175.5-170.60000111.4V131 L163 A164 N165 Q169 H170 L171V131-C167 HydrophobicContact CG1-CB 3.86Å; L163-C167 PolarHBondContact O-N 3Å; A164-C167 WeakPolarHBondContact O-CB 3.42Å; A164-C167 PolarHBondContact O-N 3.45Å; N165-C167 VanDerWaalsContact C-N 3.35Å; C167-Q169 PolarHBondContact O-N 2.79Å; C167-H170 WeakPolarHBondContact O-CB 3.49Å; C167-H170 PolarHBondContact O-N 3.24Å; C167-H170 VanDerWaalsContact O-N 3.07Å; C167-L171 WeakPolarHBondContact O-CG 3.42Å; C167-L171 PolarHBondContact O-N 2.91Å
168I97.5Very high94.4Very high22 Ų2253 Ų5311%0.11329%0.289CS..Hα-helixtrans-55-49.7176.5-68.6164.6000111.1A164 N165 H170 L171 H172 F190 L192 I195A164-I168 VanDerWaalsContact O-CG1 3.29Å; A164-I168 WeakPolarHBondContact O-CG1 3.46Å; A164-I168 PolarHBondContact O-N 3.36Å; N165-I168 PolarHBondContact O-N 3.14Å; I168-H170 VanDerWaalsContact C-N 3.27Å; I168-H170 PolarHBondContact O-N 3.06Å; I168-L171 PolarHBondContact O-N 3.36Å; I168-H172 PolarHBondContact O-CD2 2.84Å; I168-H172 VanDerWaalsContact O-CD2 3.26Å; I168-H172 PolarHBondContact O-N 3.31Å; I168-F190 HydrophobicContact CG1-CD1 3.79Å; I168-F190 HydrophobicContact CG1-CE1 3.87Å; I168-L192 HydrophobicContact CD1-CB 4.28Å; I168-I195 HydrophobicContact CD1-CD1 3.83Å; I168-I195 HydrophobicContact CG1-CD1 3.82Å
169Q96.4Very high93.3Very high121 Ų12156.6 Ų56.657%0.56530%0.298SS*.Hα-helixtrans-58.9-41177.8-74.2172.57.500111.8N165 C167 H172 L173N165-Q169 WeakPolarHBondContact O-CB 3.27Å; N165-Q169 VanDerWaalsContact O-CG 3.23Å; N165-Q169 WeakPolarHBondContact O-CG 3.29Å; N165-Q169 PolarHBondContact O-N 3.08Å; C167-Q169 PolarHBondContact O-N 2.79Å; Q169-H172 PolarHBondContact O-N 2.9Å; Q169-L173 WeakPolarHBondContact O-CG 3.35Å; Q169-L173 PolarHBondContact O-N 2.91Å
170H94.8Very high92.5Very high72 Ų7259 Ų5933%0.33332%0.315SS..Hα-helixtrans-64.1-45.4178.1-17474.6000112.2F94 A166 C167 I168 H172 L173 I174F94-H170 AromaticContact CE1-CD2 3.31Å; F94-H170 WeakPolarHBondContact CE1-CD2 3.48Å; F94-H170 AromaticContact CE1-NE2 3.58Å; F94-H170 AromaticContact CZ-CD2 3.97Å; A166-H170 WeakPolarHBondContact O-CB 3.44Å; A166-H170 PolarHBondContact O-N 3.27Å; C167-H170 WeakPolarHBondContact O-CB 3.49Å; C167-H170 PolarHBondContact O-N 3.24Å; C167-H170 VanDerWaalsContact O-N 3.07Å; I168-H170 VanDerWaalsContact C-N 3.27Å; I168-H170 PolarHBondContact O-N 3.06Å; H170-H172 VanDerWaalsContact C-N 3.35Å; H170-H172 PolarHBondContact O-N 3.25Å; H170-L173 WeakPolarHBondContact O-CB 3.43Å; H170-L173 PolarHBondContact O-N 3.28Å; H170-I174 PolarHBondContact O-N 2.82Å
171L95.1Very high91.9Very high3 Ų367.4 Ų67.42%0.01635%0.354CS..Hα-helixtrans-66.3-36.1178.5-59.9-171.6000112.3I135 F139 C167 I168 L173 I174 A175 L187 F190I135-L171 HydrophobicContact CG1-CD1 4.5Å; I135-L171 HydrophobicContact CG2-CD1 4.22Å; I135-L171 HydrophobicContact CG2-CD2 4.19Å; F139-L171 HydrophobicContact CB-CD2 3.91Å; F139-L171 HydrophobicContact CD1-CB 4.44Å; F139-L171 HydrophobicContact CD1-CD2 3.92Å; F139-L171 HydrophobicContact CD2-CD1 4.14Å; F139-L171 HydrophobicContact CD2-CD2 4.38Å; F139-L171 HydrophobicContact CE1-CB 4.22Å; F139-L171 HydrophobicContact CE2-CB 4.46Å; F139-L171 HydrophobicContact CE2-CD1 4.46Å; F139-L171 HydrophobicContact CG-CD1 4.41Å; F139-L171 HydrophobicContact CG-CD2 3.83Å; F139-L171 HydrophobicContact CZ-CB 4.23Å; C167-L171 WeakPolarHBondContact O-CG 3.42Å; C167-L171 PolarHBondContact O-N 2.91Å; I168-L171 PolarHBondContact O-N 3.36Å; L171-L173 VanDerWaalsContact C-N 3.29Å; L171-L173 PolarHBondContact O-N 2.85Å; L171-I174 HydrophobicContact CD2-CD1 4.28Å; L171-I174 PolarHBondContact O-N 3.22Å; L171-A175 PolarHBondContact O-N 3.04Å; L171-L187 HydrophobicContact CB-CD2 3.7Å; L171-F190 HydrophobicContact CD1-CD1 3.69Å; L171-F190 HydrophobicContact CD1-CE1 3.52Å; L171-F190 HydrophobicContact CD1-CG 4.33Å; L171-F190 HydrophobicContact CD1-CZ 4.05Å; L171-F190 HydrophobicContact CG-CE1 4.47Å
172H93.9Very high91.5Very high94 Ų9472.1 Ų72.144%0.43537%0.373SS..Hα-helixtrans-60.5-37.1172.3-86.3-65.3000113I168 Q169 H170 G176I168-H172 PolarHBondContact O-CD2 2.84Å; I168-H172 VanDerWaalsContact O-CD2 3.26Å; I168-H172 PolarHBondContact O-N 3.31Å; Q169-H172 PolarHBondContact O-N 2.9Å; H170-H172 VanDerWaalsContact C-N 3.35Å; H170-H172 PolarHBondContact O-N 3.25Å; H172-G176 PolarHBondContact O-N 3.09Å
173L92.8Very high91.1Very high123 Ų12370.3 Ų70.364%0.64436%0.361SS*.Hα-helixtrans-64.9-41.6175.9-69.7168.6000111.4Q169 H170 L171 G176 T177Q169-L173 WeakPolarHBondContact O-CG 3.35Å; Q169-L173 PolarHBondContact O-N 2.91Å; H170-L173 WeakPolarHBondContact O-CB 3.43Å; H170-L173 PolarHBondContact O-N 3.28Å; L171-L173 VanDerWaalsContact C-N 3.29Å; L171-L173 PolarHBondContact O-N 2.85Å; L173-G176 PolarHBondContact O-N 2.9Å; L173-T177 PolarHBondContact O-N 3.46Å
174I91.5Very high90.6Very high51 Ų5175 Ų7526%0.26238%0.382SS..Hα-helixtrans-64.8-46.4177.8-62.2169.8000110.7F139 H170 L171 G176 T177 H178F139-I174 HydrophobicContact CD1-CB 4.18Å; F139-I174 HydrophobicContact CD1-CD1 4.43Å; F139-I174 HydrophobicContact CD1-CG2 3.9Å; F139-I174 HydrophobicContact CE1-CB 4.03Å; F139-I174 HydrophobicContact CE1-CG2 3.96Å; H170-I174 PolarHBondContact O-N 2.82Å; L171-I174 HydrophobicContact CD2-CD1 4.28Å; L171-I174 PolarHBondContact O-N 3.22Å; I174-G176 VanDerWaalsContact C-N 3.25Å; I174-G176 PolarHBondContact O-N 3.03Å; I174-T177 PolarHBondContact O-N 3.3Å; I174-T177 VanDerWaalsContact O-N 3.08Å; I174-T177 PolarHBondContact O-OG1 2.84Å; I174-H178 PolarHBondContact O-N 2.91Å
175A90.1Very high90.2Very high11 Ų1182.5 Ų82.59%0.09142%0.415CS..Hα-helixtrans-63.9-30.7176.300000112.7F139 L171 T177 H178 H183 L187F139-A175 HydrophobicContact CE1-CB 4.32Å; F139-A175 HydrophobicContact CZ-CB 4.19Å; L171-A175 PolarHBondContact O-N 3.04Å; A175-T177 VanDerWaalsContact C-N 3.29Å; A175-T177 PolarHBondContact O-N 2.94Å; A175-H178 CarbonylContact O-C 3.35Å; A175-H183 HydrophobicContact CB-CB 3.86Å; A175-L187 HydrophobicContact CB-CD1 3.44Å; A175-L187 VanDerWaalsContact CB-CD1 3.44Å
176G87Confident89.9Confident57 Ų5780.7 Ų80.759%0.58841%0.409SS*.Hα-helixtrans-65.7-31.5173.600000113.2H172 L173 I174H172-G176 PolarHBondContact O-N 3.09Å; L173-G176 PolarHBondContact O-N 2.9Å; I174-G176 VanDerWaalsContact C-N 3.25Å; I174-G176 PolarHBondContact O-N 3.03Å
177T85.8Confident89.6Confident105 Ų10580.8 Ų80.864%0.64441%0.408SS*.Hα-helixtrans-81.7-36.1177.651.70000113.4L173 I174 A175L173-T177 PolarHBondContact O-N 3.46Å; I174-T177 PolarHBondContact O-N 3.3Å; I174-T177 VanDerWaalsContact O-N 3.08Å; I174-T177 PolarHBondContact O-OG1 2.84Å; A175-T177 VanDerWaalsContact C-N 3.29Å; A175-T177 PolarHBondContact O-N 2.94Å
178H74.3Confident89.2Confident110 Ų11087.3 Ų87.351%0.50944%0.439SS..SBendtrans-110.794.6179.3-63.2-77.5000107.8I174 A175 D180I174-H178 PolarHBondContact O-N 2.91Å; A175-H178 CarbonylContact O-C 3.35Å; H178-D180 PolarHBondContact O-N 3Å
179K73.6Confident88.9Confident203 Ų20388.2 Ų88.288%0.88345%0.454SS*.  trans-70.456.2-178.3-68-174.5176.6-178.10112.4
180D82.8Confident88.9Confident95 Ų9583 Ų8351%0.50843%0.429SS..  trans-94.5134.2176.6-88-37.3000110.5H178 E182 H183 Q184H178-D180 PolarHBondContact O-N 3Å; D180-E182 PolarHBondContact O-N 3.43Å; D180-H183 WeakPolarHBondContact CB-ND1 3.14Å; D180-H183 PolarHBondContact O-N 3.3Å; D180-Q184 PolarHBondContact O-N 3.26Å
181E85.8Confident89Confident177 Ų17782.1 Ų82.183%0.82743%0.429SS*.Hα-helixtrans-62.9-28.8177.9-66.3-177.117000112Q184 K185E181-Q184 PolarHBondContact O-N 3.16Å; E181-K185 WeakPolarHBondContact O-CB 3.28Å; E181-K185 PolarHBondContact O-N 3.06Å; E181-K185 VanDerWaalsContact O-N 3.07Å
182E88.9Confident89.2Confident137 Ų13784.6 Ų84.664%0.6444%0.442SS*.Hα-helixtrans-64.9-45.9177.6-173.4175.3-174.200112.1C138 D180 Q184 K185 A186C138-E182 HydrophobicContact CB-CG 4.03Å; D180-E182 PolarHBondContact O-N 3.43Å; E182-Q184 VanDerWaalsContact C-N 3.32Å; E182-Q184 PolarHBondContact O-N 2.95Å; E182-K185 PolarHBondContact O-N 2.8Å; E182-A186 WeakPolarHBondContact O-CB 3.4Å; E182-A186 PolarHBondContact O-N 2.85Å
183H90.8Very high89.4Confident20 Ų2087.4 Ų87.49%0.09346%0.455CS..Hα-helixtrans-62.1-41.2176.6-69.5119.9000111.6C138 F139 A175 D180 A186 L187C138-H183 PolarHBondContact O-NE2 2.83Å; F139-H183 AromaticContact CD1-CD2 3.7Å; F139-H183 HydrophobicContact CE1-CB 4.23Å; F139-H183 AromaticContact CE1-CD2 3.35Å; F139-H183 WeakPolarHBondContact CE1-CD2 3.35Å; F139-H183 AromaticContact CE1-CG 3.96Å; F139-H183 HydrophobicContact CE2-CB 4.45Å; F139-H183 AromaticContact CE2-CD2 3.86Å; F139-H183 HydrophobicContact CZ-CB 3.75Å; F139-H183 AromaticContact CZ-CD2 3.44Å; F139-H183 VanDerWaalsContact CZ-CD2 3.44Å; F139-H183 WeakPolarHBondContact CZ-CD2 3.18Å; F139-H183 AromaticContact CZ-CG 3.9Å; A175-H183 HydrophobicContact CB-CB 3.86Å; D180-H183 WeakPolarHBondContact CB-ND1 3.14Å; D180-H183 PolarHBondContact O-N 3.3Å; H183-A186 PolarHBondContact O-N 3.18Å; H183-L187 VanDerWaalsContact O-CG 3.31Å; H183-L187 WeakPolarHBondContact O-CG 3.35Å; H183-L187 PolarHBondContact O-N 3.39Å; H183-L187 VanDerWaalsContact O-N 3.11Å
184Q88.4Confident89.6Confident103 Ų10384.3 Ų84.348%0.48144%0.439SS..Hα-helixtrans-64.1-44.6179.9-17160.141.200111.5D180 E181 E182 L187 E188D180-Q184 PolarHBondContact O-N 3.26Å; E181-Q184 PolarHBondContact O-N 3.16Å; E182-Q184 VanDerWaalsContact C-N 3.32Å; E182-Q184 PolarHBondContact O-N 2.95Å; Q184-L187 PolarHBondContact O-N 3.34Å; Q184-E188 PolarHBondContact O-N 3.47Å
185K90.6Very high90Very high158 Ų15882 Ų8269%0.68743%0.427SS*.Hα-helixtrans-65.1-39.1177.6-173179.4179.3-177.20112.4E181 E182 L187 E188E181-K185 WeakPolarHBondContact O-CB 3.28Å; E181-K185 PolarHBondContact O-N 3.06Å; E181-K185 VanDerWaalsContact O-N 3.07Å; E182-K185 PolarHBondContact O-N 2.8Å; K185-L187 VanDerWaalsContact C-N 3.3Å; K185-L187 PolarHBondContact O-N 3.26Å; K185-E188 PolarHBondContact O-N 2.92Å
186A91.8Very high90.4Very high25 Ų2584.1 Ų84.121%0.20744%0.437CS..Hα-helixtrans-63.2-37.5176.800000112P136 F139 E182 H183 E188 G189 F190P136-A186 HydrophobicContact CB-CB 4Å; P136-A186 HydrophobicContact CG-CB 4.05Å; F139-A186 HydrophobicContact CE2-CB 4.18Å; E182-A186 WeakPolarHBondContact O-CB 3.4Å; E182-A186 PolarHBondContact O-N 2.85Å; H183-A186 PolarHBondContact O-N 3.18Å; A186-E188 PolarHBondContact O-N 2.94Å; A186-G189 PolarHBondContact O-N 2.92Å; A186-F190 PolarHBondContact O-N 3.42Å
187L91.9Very high90.9Very high8 Ų884.6 Ų84.64%0.04243%0.431CS..Hα-helixtrans-69.9-27.1179.2-73.3170.3000114F139 L171 A175 H183 Q184 K185 G189 F190F139-L187 HydrophobicContact CE2-CD2 4.25Å; F139-L187 HydrophobicContact CE2-CG 4.13Å; F139-L187 HydrophobicContact CZ-CD1 4.07Å; F139-L187 HydrophobicContact CZ-CD2 4.18Å; F139-L187 HydrophobicContact CZ-CG 3.94Å; L171-L187 HydrophobicContact CB-CD2 3.7Å; A175-L187 HydrophobicContact CB-CD1 3.44Å; A175-L187 VanDerWaalsContact CB-CD1 3.44Å; H183-L187 VanDerWaalsContact O-CG 3.31Å; H183-L187 WeakPolarHBondContact O-CG 3.35Å; H183-L187 PolarHBondContact O-N 3.39Å; H183-L187 VanDerWaalsContact O-N 3.11Å; Q184-L187 PolarHBondContact O-N 3.34Å; K185-L187 VanDerWaalsContact C-N 3.3Å; K185-L187 PolarHBondContact O-N 3.26Å; L187-G189 PolarHBondContact O-N 2.93Å; L187-F190 PolarHBondContact O-N 2.81Å
188E90.6Very high91.5Very high139 Ų13982.3 Ų82.365%0.6541%0.413SS*.Hα-helixtrans-59.2-34.8174.8-69.5175.6-17900112.1Q184 K185 A186Q184-E188 PolarHBondContact O-N 3.47Å; K185-E188 PolarHBondContact O-N 2.92Å; A186-E188 PolarHBondContact O-N 2.94Å
189G90.3Very high92.7Very high41 Ų4178 Ų7842%0.42339%0.393SS..Hα-helixtrans-90.9-12.1177.300000114.6A186 L187 T191 N194A186-G189 PolarHBondContact O-N 2.92Å; L187-G189 PolarHBondContact O-N 2.93Å; G189-T191 VanDerWaalsContact C-N 3.35Å; G189-T191 PolarHBondContact O-N 3.08Å; G189-N194 PolarHBondContact O-ND2 3.37Å
190F96.1Very high93.9Very high12 Ų1270.9 Ų70.95%0.05336%0.361CS..  trans-94.163.9-176.3-162-103.3000111.1Q134 I135 P136 I168 L171 A186 L187 I195Q134-F190 HydrophobicContact CB-CE2 4.01Å; Q134-F190 VanDerWaalsContact O-CE2 3.32Å; Q134-F190 WeakPolarHBondContact O-CE2 3.49Å; I135-F190 HydrophobicContact CG1-CZ 4.27Å; P136-F190 HydrophobicContact CG-CD2 4.27Å; I168-F190 HydrophobicContact CG1-CD1 3.79Å; I168-F190 HydrophobicContact CG1-CE1 3.87Å; L171-F190 HydrophobicContact CD1-CD1 3.69Å; L171-F190 HydrophobicContact CD1-CE1 3.52Å; L171-F190 HydrophobicContact CD1-CG 4.33Å; L171-F190 HydrophobicContact CD1-CZ 4.05Å; L171-F190 HydrophobicContact CG-CE1 4.47Å; A186-F190 PolarHBondContact O-N 3.42Å; L187-F190 PolarHBondContact O-N 2.81Å; F190-I195 HydrophobicContact CD1-CD1 4.04Å; F190-I195 HydrophobicContact CD2-CD1 4.44Å; F190-I195 HydrophobicContact CD2-CG1 4.36Å; F190-I195 HydrophobicContact CE1-CD1 3.6Å; F190-I195 HydrophobicContact CE1-CG1 4.46Å; F190-I195 HydrophobicContact CE2-CD1 4.02Å; F190-I195 HydrophobicContact CE2-CG1 4.01Å; F190-I195 HydrophobicContact CG-CD1 4.45Å; F190-I195 HydrophobicContact CZ-CD1 3.59Å; F190-I195 HydrophobicContact CZ-CG1 4.08Å
191T97.7Very high94.6Very high53 Ų5370.9 Ų70.933%0.32536%0.355SS..  trans-98.7161.4-178.569.60000111.8G189 E193 N194 I195G189-T191 VanDerWaalsContact C-N 3.35Å; G189-T191 PolarHBondContact O-N 3.08Å; T191-E193 VanDerWaalsContact C-N 3.29Å; T191-E193 PolarHBondContact O-N 2.68Å; T191-N194 PolarHBondContact O-N 2.91Å; T191-N194 PolarHBondContact OG1-N 3.2Å; T191-I195 VanDerWaalsContact O-CG1 3.27Å; T191-I195 WeakPolarHBondContact O-CG1 3.22Å; T191-I195 PolarHBondContact O-N 3.02Å
192L98.3Very high95.2Very high54 Ų5464.7 Ų64.728%0.28333%0.325SS..Hα-helixtrans-56.1-44.1176.2177.664.5000112V161 A164 I168 I195 L196V161-L192 HydrophobicContact CB-CD1 4.45Å; V161-L192 HydrophobicContact CG1-CD1 4.18Å; V161-L192 HydrophobicContact CG1-CD2 4.09Å; V161-L192 HydrophobicContact CG2-CD1 4.44Å; A164-L192 HydrophobicContact CB-CD1 3.62Å; I168-L192 HydrophobicContact CD1-CB 4.28Å; L192-I195 PolarHBondContact O-N 2.86Å; L192-L196 HydrophobicContact CD1-CD1 3.96Å; L192-L196 HydrophobicContact CD1-CG 4.12Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 VanDerWaalsContact O-CG 3.25Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 2.98Å
193E98.1Very high95.6Very high154 Ų15462 Ų6272%0.7231%0.309SS*.Hα-helixtrans-61.3-47.4179.8-176.3174.9-174.100111.4T191 I195 L196 S197T191-E193 VanDerWaalsContact C-N 3.29Å; T191-E193 PolarHBondContact O-N 2.68Å; E193-I195 PolarHBondContact O-N 2.81Å; E193-L196 PolarHBondContact O-N 3.49Å; E193-S197 WeakPolarHBondContact O-CB 3.22Å; E193-S197 PolarHBondContact O-N 3.35Å; E193-S197 PolarHBondContact O-OG 2.91Å
194N97.9Very high95.9Very high58 Ų5861.2 Ų61.231%0.3131%0.306SS..Hα-helixtrans-62.4-46.1178.3-72.1-4.7000110.9G189 T191 L196 S197 H198G189-N194 PolarHBondContact O-ND2 3.37Å; T191-N194 PolarHBondContact O-N 2.91Å; T191-N194 PolarHBondContact OG1-N 3.2Å; N194-L196 VanDerWaalsContact C-N 3.32Å; N194-L196 PolarHBondContact O-N 3.22Å; N194-S197 WeakPolarHBondContact CA-OG 3.28Å; N194-S197 PolarHBondContact O-N 3.38Å; N194-S197 PolarHBondContact O-OG 2.77Å; N194-H198 VanDerWaalsContact O-CG 3.23Å; N194-H198 PolarHBondContact O-N 2.87Å; N194-H198 PolarHBondContact O-ND1 3.38Å
195I98.6Very high96.2Very high2 Ų262.4 Ų62.41%0.0131%0.311CS..Hα-helixtrans-56.1-47.7178.6-68.6168.2000111.1V131 Q134 A164 I168 F190 T191 L192 E193 H198 I199V131-I195 HydrophobicContact CB-CG2 4.47Å; V131-I195 HydrophobicContact CG1-CG2 4.13Å; V131-I195 HydrophobicContact CG2-CG2 4.13Å; Q134-I195 PolarHBondContact NE2-O 2.97Å; Q134-I195 VanDerWaalsContact OE1-CA 3.31Å; Q134-I195 PolarHBondContact OE1-O 3.31Å; A164-I195 HydrophobicContact CB-CD1 4.13Å; A164-I195 HydrophobicContact CB-CG2 3.91Å; I168-I195 HydrophobicContact CD1-CD1 3.83Å; I168-I195 HydrophobicContact CG1-CD1 3.82Å; F190-I195 HydrophobicContact CD1-CD1 4.04Å; F190-I195 HydrophobicContact CD2-CD1 4.44Å; F190-I195 HydrophobicContact CD2-CG1 4.36Å; F190-I195 HydrophobicContact CE1-CD1 3.6Å; F190-I195 HydrophobicContact CE1-CG1 4.46Å; F190-I195 HydrophobicContact CE2-CD1 4.02Å; F190-I195 HydrophobicContact CE2-CG1 4.01Å; F190-I195 HydrophobicContact CG-CD1 4.45Å; F190-I195 HydrophobicContact CZ-CD1 3.59Å; F190-I195 HydrophobicContact CZ-CG1 4.08Å; T191-I195 VanDerWaalsContact O-CG1 3.27Å; T191-I195 WeakPolarHBondContact O-CG1 3.22Å; T191-I195 PolarHBondContact O-N 3.02Å; L192-I195 PolarHBondContact O-N 2.86Å; E193-I195 PolarHBondContact O-N 2.81Å; I195-H198 PolarHBondContact O-N 3.49Å; I195-I199 HydrophobicContact CG2-CD1 4.44Å; I195-I199 WeakPolarHBondContact O-CG1 3.24Å
196L98.6Very high96.3Very high56 Ų5657.3 Ų57.329%0.29329%0.291SS..Hα-helixtrans-68.8-36.1-179.1-64.5175000112.2V160 V161 L192 E193 N194 H198 I199V160-L196 HydrophobicContact CB-CD2 4.49Å; V160-L196 HydrophobicContact CG1-CD2 3.8Å; V161-L196 HydrophobicContact CG2-CD1 3.99Å; V161-L196 HydrophobicContact CG2-CD2 4.29Å; L192-L196 HydrophobicContact CD1-CD1 3.96Å; L192-L196 HydrophobicContact CD1-CG 4.12Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 VanDerWaalsContact O-CG 3.25Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 2.98Å; E193-L196 PolarHBondContact O-N 3.49Å; N194-L196 VanDerWaalsContact C-N 3.32Å; N194-L196 PolarHBondContact O-N 3.22Å; L196-H198 PolarHBondContact O-N 2.98Å; L196-I199 PolarHBondContact O-N 3.42Å
197S98.3Very high96.4Very high66 Ų6658.7 Ų58.746%0.46229%0.292SS..Hα-helixtrans-66.9-22.1178.974.50000113.7E193 N194E193-S197 WeakPolarHBondContact O-CB 3.22Å; E193-S197 PolarHBondContact O-N 3.35Å; E193-S197 PolarHBondContact O-OG 2.91Å; N194-S197 WeakPolarHBondContact CA-OG 3.28Å; N194-S197 PolarHBondContact O-N 3.38Å; N194-S197 PolarHBondContact O-OG 2.77Å
198H98.5Very high96.5Very high57 Ų5762 Ų6226%0.26431%0.313SS..THydrogen-bonded Turntrans-98.614-178.8-62.9161.2000113.5Q134 E145 A146 N194 I195 L196Q134-H198 VanDerWaalsContact OE1-CB 3.3Å; E145-H198 HydrophobicContact CB-CB 4.28Å; E145-H198 HydrophobicContact CG-CB 3.9Å; E145-H198 IonicContact OE1-CD2 2.77Å; A146-H198 PolarHBondContact N-O 3.11Å; N194-H198 VanDerWaalsContact O-CG 3.23Å; N194-H198 PolarHBondContact O-N 2.87Å; N194-H198 PolarHBondContact O-ND1 3.38Å; I195-H198 PolarHBondContact O-N 3.49Å; L196-H198 PolarHBondContact O-N 2.98Å
199I98.7Very high96.8Very high20 Ų2059.1 Ų59.110%0.10330%0.299CS..EExtended strand (participates in β ladder)trans-111.4104.1172-59169.9000108.5A130 V131 Q134 A146 F155 V160 I195 L196A130-I199 HydrophobicContact CB-CD1 4.19Å; A130-I199 HydrophobicContact CB-CG1 4.41Å; A130-I199 HydrophobicContact CB-CG2 4.36Å; V131-I199 HydrophobicContact CG2-CD1 4.4Å; Q134-I199 VanDerWaalsContact NE2-CG1 3.34Å; A146-I199 HydrophobicContact CB-CG1 4.4Å; A146-I199 WeakPolarHBondContact O-CA 3.43Å; F155-I199 HydrophobicContact CE2-CG2 4.41Å; F155-I199 HydrophobicContact CZ-CG2 4.09Å; V160-I199 HydrophobicContact CG1-CD1 3.75Å; I195-I199 HydrophobicContact CG2-CD1 4.44Å; I195-I199 WeakPolarHBondContact O-CG1 3.24Å; L196-I199 PolarHBondContact O-N 3.42Å
200Y98.6Very high97.1Very high53 Ų5357.1 Ų57.121%0.20828%0.279CS..EExtended strand (participates in β ladder)trans-87.1113.5179.3-52.2-80000110.4E145 A146 V147 F148 F220 H224 V227E145-Y200 HydrophobicContact CB-CE2 4.16Å; E145-Y200 WeakPolarHBondContact OE2-CE2 3.41Å; E145-Y200 PolarHBondContact OE2-OH 2.79Å; A146-Y200 WeakPolarHBondContact O-CD2 3.47Å; A146-Y200 PolarHBondContact O-N 3.49Å; V147-Y200 CarbonylContact C-O 3.59Å; V147-Y200 WeakPolarHBondContact CA-O 3.42Å; V147-Y200 HydrophobicContact CG2-CD2 4.18Å; F148-Y200 PolarHBondContact N-O 2.87Å; Y200-F220 AromaticContact CD1-CZ 3.75Å; Y200-F220 HydrophobicContact CD1-CZ 3.75Å; Y200-F220 HydrophobicContact CD2-CE1 4.09Å; Y200-F220 AromaticContact CD2-CZ 3.88Å; Y200-F220 HydrophobicContact CD2-CZ 3.88Å; Y200-F220 HydrophobicContact CE1-CZ 4.19Å; Y200-F220 HydrophobicContact CE2-CZ 4.32Å; Y200-F220 HydrophobicContact CG-CE1 4.2Å; Y200-F220 AromaticContact CG-CZ 3.59Å; Y200-F220 HydrophobicContact CG-CZ 3.59Å; Y200-H224 AromaticContact CE1-CD2 3.88Å; Y200-H224 AromaticContact CZ-CD2 3.57Å; Y200-H224 PolarHBondContact OH-CD2 3.36Å; Y200-V227 HydrophobicContact CD2-CG2 4.17Å; Y200-V227 HydrophobicContact CE2-CG2 3.93Å
201Y98.6Very high97.1Very high95 Ų9557.5 Ų57.537%0.37328%0.281SS..EExtended strand (participates in β ladder)trans-99.1132.3-176.8176.5-97.6000112.2F148 D150 F155 R203F148-Y201 HydrophobicContact CD1-CD2 4.26Å; F148-Y201 HydrophobicContact CD1-CE2 4.4Å; F148-Y201 WeakPolarHBondContact O-CA 3.48Å; D150-Y201 HydrophobicContact CB-CD2 4.39Å; D150-Y201 HydrophobicContact CB-CE2 3.39Å; D150-Y201 PolarHBondContact OD2-OH 2.86Å; F155-Y201 HydrophobicContact CB-CD2 4.08Å; F155-Y201 HydrophobicContact CB-CE2 3.46Å; F155-Y201 VanDerWaalsContact CB-CE2 3.46Å; F155-Y201 AromaticContact CD1-CD2 3.69Å; F155-Y201 HydrophobicContact CD1-CD2 3.69Å; F155-Y201 AromaticContact CD1-CE2 3.83Å; F155-Y201 HydrophobicContact CD1-CE2 3.83Å; F155-Y201 HydrophobicContact CD1-CG 4.46Å; F155-Y201 HydrophobicContact CD2-CD2 4.28Å; F155-Y201 HydrophobicContact CD2-CE2 4.46Å; F155-Y201 HydrophobicContact CE1-CD2 4.14Å; F155-Y201 AromaticContact CG-CD2 3.76Å; F155-Y201 HydrophobicContact CG-CD2 3.76Å; F155-Y201 AromaticContact CG-CE2 3.68Å; F155-Y201 HydrophobicContact CG-CE2 3.68Å; Y201-R203 HydrophobicContact CE1-CB 3.93Å; Y201-R203 VanDerWaalsContact OH-CD 3.32Å; Y201-R203 WeakPolarHBondContact OH-CD 3.47Å
202F98.3Very high97Very high48 Ų4857.3 Ų57.321%0.21129%0.285CS..EExtended strand (participates in β ladder)trans-127.5127.3172.7-60.7-84.8000110V147 F148 I149 D150 Q213 F220V147-F202 HydrophobicContact CG1-CD2 3.85Å; V147-F202 HydrophobicContact CG1-CE2 3.83Å; F148-F202 PolarHBondContact O-N 3.34Å; I149-F202 CarbonylContact C-O 3.6Å; I149-F202 WeakPolarHBondContact CA-O 3.39Å; I149-F202 HydrophobicContact CG1-CB 4.31Å; I149-F202 HydrophobicContact CG1-CD2 4.42Å; D150-F202 PolarHBondContact N-O 3.02Å; F202-Q213 HydrophobicContact CB-CG 4.17Å; F202-Q213 VanDerWaalsContact CD1-CD 3.42Å; F202-Q213 HydrophobicContact CD1-CG 4.46Å; F202-Q213 VanDerWaalsContact CD1-NE2 3.28Å; F202-Q213 VanDerWaalsContact CD1-OE1 3.31Å; F202-Q213 VanDerWaalsContact CE1-NE2 3.29Å; F202-Q213 HydrophobicContact CG-CG 4.19Å; F202-F220 HydrophobicContact CZ-CD2 4.29Å; F202-F220 HydrophobicContact CZ-CE2 4.07Å; F202-F220 HydrophobicContact CZ-CZ 4.42Å
203R97.9Very high97Very high80 Ų8056.3 Ų56.330%0.30228%0.279SS..EExtended strand (participates in β ladder)trans-95.7125.9173.2-178.672.6-169143.4-8.2109.3D150 T151 E152 G153 Y201 H205D150-R203 PolarHBondContact O-NH1 3.31Å; D150-R203 IonicContact OD1-NH1 3.9Å; D150-R203 PolarHBondContact OD1-NH1 2.81Å; D150-R203 IonicContact OD2-NH1 3.25Å; T151-R203 VanDerWaalsContact CA-NH1 3.34Å; T151-R203 PolarHBondContact O-NH1 2.8Å; T151-R203 VanDerWaalsContact O-NH1 3.09Å; T151-R203 PolarHBondContact O-NH2 3.36Å; T151-R203 VanDerWaalsContact O-NH2 3.14Å; E152-R203 VanDerWaalsContact N-NH1 3.15Å; E152-R203 PolarHBondContact O-NH2 3.21Å; G153-R203 VanDerWaalsContact CA-CZ 3.41Å; G153-R203 VanDerWaalsContact N-CZ 3.32Å; Y201-R203 HydrophobicContact CE1-CB 3.93Å; Y201-R203 VanDerWaalsContact OH-CD 3.32Å; Y201-R203 WeakPolarHBondContact OH-CD 3.47Å; R203-H205 VanDerWaalsContact CG-CE1 3.48Å; R203-H205 WeakPolarHBondContact CG-CE1 3.32Å; R203-H205 WeakPolarHBondContact CG-NE2 3.34Å
204C96.8Very high96.9Very high3 Ų349 Ų492%0.0224%0.244CC..  trans-121.5130.1172.9-60.40000110.1D150 T151 E209 L210D150-C204 PolarHBondContact O-N 3.35Å; T151-C204 WeakPolarHBondContact CA-O 3.48Å; T151-C204 HydrophobicContact CG2-CB 4.41Å; C204-E209 WeakPolarHBondContact CA-OE2 3.45Å; C204-E209 HydrophobicContact CB-CB 4.06Å; C204-L210 HydrophobicContact CB-CB 4.23Å
205H94.1Very high96.7Very high128 Ų12851.9 Ų51.959%0.59325%0.252SS*.  trans-98.4-27.9-175.9-55.286.5000112.7R203 E209R203-H205 VanDerWaalsContact CG-CE1 3.48Å; R203-H205 WeakPolarHBondContact CG-CE1 3.32Å; R203-H205 WeakPolarHBondContact CG-NE2 3.34Å; H205-E209 IonicContact CG-OE2 3.68Å; H205-E209 PolarHBondContact N-OE2 3.2Å; H205-E209 IonicContact ND1-OE1 2.91Å; H205-E209 IonicContact ND1-OE2 3.63Å; H205-E209 PolarHBondContact ND1-OE2 2.89Å
206D93.6Very high96.5Very high51 Ų5156.4 Ų56.427%0.27328%0.276SS..SBendtrans-137.4175.4-178.770.535.8000112.2T208 E209 L210D206-T208 PolarHBondContact O-N 2.99Å; D206-T208 VanDerWaalsContact OD1-CA 3.31Å; D206-T208 WeakPolarHBondContact OD1-CA 3.32Å; D206-T208 VanDerWaalsContact OD1-CB 3.25Å; D206-T208 WeakPolarHBondContact OD1-CB 3.41Å; D206-T208 PolarHBondContact OD1-N 3.29Å; D206-E209 PolarHBondContact OD1-N 2.89Å; D206-L210 PolarHBondContact O-N 3.46Å; D206-L210 VanDerWaalsContact O-N 3.11Å
207Y93.5Very high96.4Very high54 Ų5453.8 Ų53.821%0.21226%0.262CS..Hα-helixtrans-70.3-23.7-17775.8-87.6000112.3L211 F239 L243 L252Y207-L211 HydrophobicContact CD2-CD1 3.83Å; Y207-L211 HydrophobicContact CE2-CD1 4.39Å; Y207-L211 WeakPolarHBondContact O-CB 3.46Å; Y207-L211 WeakPolarHBondContact O-CD1 3.47Å; Y207-L211 WeakPolarHBondContact O-CG 3.39Å; Y207-L211 PolarHBondContact O-N 3.46Å; Y207-F239 HydrophobicContact CD2-CE1 4.34Å; Y207-F239 HydrophobicContact CG-CD1 4.49Å; Y207-F239 HydrophobicContact CG-CE1 4.35Å; Y207-L243 HydrophobicContact CD1-CD1 3.84Å; Y207-L243 HydrophobicContact CD2-CD1 3.82Å; Y207-L243 HydrophobicContact CE1-CD1 3.67Å; Y207-L243 HydrophobicContact CE1-CG 4.5Å; Y207-L243 HydrophobicContact CE2-CD1 3.65Å; Y207-L243 HydrophobicContact CG-CD1 3.92Å; Y207-L252 HydrophobicContact CD2-CD1 3.98Å; Y207-L252 HydrophobicContact CE2-CD1 3.85Å
208T94.2Very high96.2Very high79 Ų7952.4 Ų52.449%0.48525%0.252SS..Hα-helixtrans-72.3-48.1179-55.30000109.8D206 L210 L211 A212D206-T208 PolarHBondContact O-N 2.99Å; D206-T208 VanDerWaalsContact OD1-CA 3.31Å; D206-T208 WeakPolarHBondContact OD1-CA 3.32Å; D206-T208 VanDerWaalsContact OD1-CB 3.25Å; D206-T208 WeakPolarHBondContact OD1-CB 3.41Å; D206-T208 PolarHBondContact OD1-N 3.29Å; T208-L210 VanDerWaalsContact C-N 3.34Å; T208-L210 PolarHBondContact O-N 3.25Å; T208-L211 PolarHBondContact O-N 2.77Å; T208-A212 WeakPolarHBondContact O-CB 3.46Å; T208-A212 PolarHBondContact O-N 2.96Å
209E96.1Very high96Very high77 Ų7754.8 Ų54.836%0.3627%0.266SS..Hα-helixtrans-59.2-45.2173.8-70.8-176.7-176.200111C204 H205 D206 L211 A212 Q213C204-E209 WeakPolarHBondContact CA-OE2 3.45Å; C204-E209 HydrophobicContact CB-CB 4.06Å; H205-E209 IonicContact CG-OE2 3.68Å; H205-E209 PolarHBondContact N-OE2 3.2Å; H205-E209 IonicContact ND1-OE1 2.91Å; H205-E209 IonicContact ND1-OE2 3.63Å; H205-E209 PolarHBondContact ND1-OE2 2.89Å; D206-E209 PolarHBondContact OD1-N 2.89Å; E209-L211 PolarHBondContact O-N 2.79Å; E209-A212 PolarHBondContact O-N 3.35Å; E209-Q213 VanDerWaalsContact O-CB 3.32Å; E209-Q213 WeakPolarHBondContact O-CB 3.29Å; E209-Q213 PolarHBondContact O-N 3.23Å
210L96.8Very high95.8Very high0 Ų055.7 Ų55.70%027%0.269CS..Hα-helixtrans-61.3-46177.6175.960.6000112I149 T151 C204 D206 T208 V214 I232 I235 P238 F239 L256I149-L210 HydrophobicContact CG2-CD1 3.77Å; T151-L210 HydrophobicContact CG2-CD1 4.35Å; T151-L210 HydrophobicContact CG2-CD2 4.34Å; C204-L210 HydrophobicContact CB-CB 4.23Å; D206-L210 PolarHBondContact O-N 3.46Å; D206-L210 VanDerWaalsContact O-N 3.11Å; T208-L210 VanDerWaalsContact C-N 3.34Å; T208-L210 PolarHBondContact O-N 3.25Å; L210-V214 HydrophobicContact CD1-CG2 4.24Å; L210-V214 WeakPolarHBondContact O-CB 3.33Å; L210-V214 VanDerWaalsContact O-CG2 3.27Å; L210-V214 WeakPolarHBondContact O-CG2 3.17Å; L210-V214 PolarHBondContact O-N 3.36Å; L210-I232 HydrophobicContact CD1-CD1 4.4Å; L210-I232 HydrophobicContact CD1-CG2 3.9Å; L210-I235 HydrophobicContact CD2-CD1 3.97Å; L210-P238 HydrophobicContact CD2-CG 4.01Å; L210-F239 HydrophobicContact CD2-CE2 3.9Å; L210-L256 HydrophobicContact CD2-CD2 4.33Å
211L95.8Very high95.7Very high20 Ų2053.3 Ų53.311%0.10526%0.26CS..Hα-helixtrans-62.1-50.5176.9-74.5167.9000110.4Y207 T208 E209 Q213 V214 Y215 L252 L256Y207-L211 HydrophobicContact CD2-CD1 3.83Å; Y207-L211 HydrophobicContact CE2-CD1 4.39Å; Y207-L211 WeakPolarHBondContact O-CB 3.46Å; Y207-L211 WeakPolarHBondContact O-CD1 3.47Å; Y207-L211 WeakPolarHBondContact O-CG 3.39Å; Y207-L211 PolarHBondContact O-N 3.46Å; T208-L211 PolarHBondContact O-N 2.77Å; E209-L211 PolarHBondContact O-N 2.79Å; L211-Q213 VanDerWaalsContact C-N 3.31Å; L211-Q213 PolarHBondContact O-N 2.93Å; L211-V214 PolarHBondContact O-N 3.13Å; L211-V214 VanDerWaalsContact O-N 3.14Å; L211-Y215 HydrophobicContact CB-CD2 4.47Å; L211-Y215 HydrophobicContact CD2-CE2 4.21Å; L211-Y215 WeakPolarHBondContact O-CD2 3.27Å; L211-Y215 PolarHBondContact O-N 3.15Å; L211-L252 HydrophobicContact CD1-CB 4.41Å; L211-L252 HydrophobicContact CD1-CD1 4.18Å; L211-L252 HydrophobicContact CD1-CD2 3.87Å; L211-L252 HydrophobicContact CD1-CG 4.37Å; L211-L256 HydrophobicContact CD2-CB 4.31Å; L211-L256 HydrophobicContact CD2-CD1 3.99Å
212A96.6Very high95.4Very high48 Ų4852.9 Ų52.940%0.39727%0.271SS..Hα-helixtrans-55.3-48.1179.300000111.2T208 E209 V214 Y215 L216T208-A212 WeakPolarHBondContact O-CB 3.46Å; T208-A212 PolarHBondContact O-N 2.96Å; E209-A212 PolarHBondContact O-N 3.35Å; A212-V214 VanDerWaalsContact C-N 3.32Å; A212-V214 PolarHBondContact O-N 2.9Å; A212-Y215 PolarHBondContact O-N 3.13Å; A212-L216 WeakPolarHBondContact O-CB 3.28Å; A212-L216 VanDerWaalsContact O-CG 3.26Å; A212-L216 WeakPolarHBondContact O-CG 3.33Å; A212-L216 PolarHBondContact O-N 2.78Å
213Q97.4Very high95.3Very high33 Ų3357 Ų5715%0.15430%0.295CS..Hα-helixtrans-57.5-46.2178.1-174.658.640.500111.5I149 F202 E209 L211 L216 L217I149-Q213 HydrophobicContact CD1-CG 3.79Å; I149-Q213 HydrophobicContact CG1-CG 4.16Å; F202-Q213 HydrophobicContact CB-CG 4.17Å; F202-Q213 VanDerWaalsContact CD1-CD 3.42Å; F202-Q213 HydrophobicContact CD1-CG 4.46Å; F202-Q213 VanDerWaalsContact CD1-NE2 3.28Å; F202-Q213 VanDerWaalsContact CD1-OE1 3.31Å; F202-Q213 VanDerWaalsContact CE1-NE2 3.29Å; F202-Q213 HydrophobicContact CG-CG 4.19Å; E209-Q213 VanDerWaalsContact O-CB 3.32Å; E209-Q213 WeakPolarHBondContact O-CB 3.29Å; E209-Q213 PolarHBondContact O-N 3.23Å; L211-Q213 VanDerWaalsContact C-N 3.31Å; L211-Q213 PolarHBondContact O-N 2.93Å; Q213-L216 PolarHBondContact O-N 3.03Å; Q213-L217 WeakPolarHBondContact O-CG 3.42Å; Q213-L217 PolarHBondContact O-N 3.14Å; Q213-L217 VanDerWaalsContact O-N 3.12Å
214V95.7Very high95.2Very high0 Ų055.7 Ų55.70%029%0.292CS..Hα-helixtrans-64.6-40.8179.3161.10000112.6I149 L210 L211 A212 L216 L217 I232 L256 Q259 M260I149-V214 HydrophobicContact CD1-CG2 4.35Å; L210-V214 HydrophobicContact CD1-CG2 4.24Å; L210-V214 WeakPolarHBondContact O-CB 3.33Å; L210-V214 VanDerWaalsContact O-CG2 3.27Å; L210-V214 WeakPolarHBondContact O-CG2 3.17Å; L210-V214 PolarHBondContact O-N 3.36Å; L211-V214 PolarHBondContact O-N 3.13Å; L211-V214 VanDerWaalsContact O-N 3.14Å; A212-V214 VanDerWaalsContact C-N 3.32Å; A212-V214 PolarHBondContact O-N 2.9Å; V214-L216 VanDerWaalsContact C-N 3.27Å; V214-L216 PolarHBondContact O-N 2.82Å; V214-L217 WeakPolarHBondContact O-CB 3.38Å; V214-L217 PolarHBondContact O-N 2.81Å; V214-I232 HydrophobicContact CG2-CD1 4.03Å; V214-L256 HydrophobicContact CB-CD1 3.68Å; V214-L256 HydrophobicContact CG1-CD1 3.52Å; V214-L256 HydrophobicContact CG2-CD1 3.57Å; V214-Q259 HydrophobicContact CG1-CB 3.96Å; V214-M260 HydrophobicContact CB-CE 3.99Å; V214-M260 HydrophobicContact CG1-CE 3.2Å; V214-M260 HydrophobicContact CG2-CE 3.75Å
215Y93.8Very high95Very high119 Ų11960.8 Ų60.847%0.46733%0.328SS..Hα-helixtrans-71.3-22.9178.1-81.7-77.9000113L211 A212 P218 Q259L211-Y215 HydrophobicContact CB-CD2 4.47Å; L211-Y215 HydrophobicContact CD2-CE2 4.21Å; L211-Y215 WeakPolarHBondContact O-CD2 3.27Å; L211-Y215 PolarHBondContact O-N 3.15Å; A212-Y215 PolarHBondContact O-N 3.13Å; Y215-P218 WeakPolarHBondContact O-CD 3.45Å; Y215-Q259 HydrophobicContact CD1-CG 4.32Å; Y215-Q259 HydrophobicContact CE1-CG 3.77Å
216L95.5Very high95.2Very high98 Ų9860.7 Ų60.751%0.51333%0.326SS..Hα-helixtrans-85.7-14.8174.2-67.9170.3000113.3A212 Q213 V214 P218 D219 F220A212-L216 WeakPolarHBondContact O-CB 3.28Å; A212-L216 VanDerWaalsContact O-CG 3.26Å; A212-L216 WeakPolarHBondContact O-CG 3.33Å; A212-L216 PolarHBondContact O-N 2.78Å; Q213-L216 PolarHBondContact O-N 3.03Å; V214-L216 VanDerWaalsContact C-N 3.27Å; V214-L216 PolarHBondContact O-N 2.82Å; L216-P218 VanDerWaalsContact C-CD 3.43Å; L216-D219 PolarHBondContact O-N 3.31Å; L216-F220 PolarHBondContact O-N 2.97Å; L216-F220 VanDerWaalsContact O-N 3.15Å
217L95.8Very high95.4Very high0 Ų058.4 Ų58.40%031%0.314CS..Hα-helixtrans-55.7-41.4179.1-76.1176.7000114.3V147 I149 Q213 V214 D219 F220 L221 V230 M260 L263V147-L217 HydrophobicContact CG1-CD2 4.03Å; I149-L217 HydrophobicContact CD1-CD1 4.09Å; Q213-L217 WeakPolarHBondContact O-CG 3.42Å; Q213-L217 PolarHBondContact O-N 3.14Å; Q213-L217 VanDerWaalsContact O-N 3.12Å; V214-L217 WeakPolarHBondContact O-CB 3.38Å; V214-L217 PolarHBondContact O-N 2.81Å; L217-D219 VanDerWaalsContact C-N 3.27Å; L217-D219 PolarHBondContact O-N 2.96Å; L217-F220 WeakPolarHBondContact O-CB 3.34Å; L217-F220 PolarHBondContact O-N 2.94Å; L217-F220 VanDerWaalsContact O-N 3.16Å; L217-L221 HydrophobicContact CB-CD1 4.36Å; L217-L221 WeakPolarHBondContact O-CB 3.44Å; L217-L221 WeakPolarHBondContact O-CG 3.4Å; L217-L221 PolarHBondContact O-N 3.03Å; L217-V230 HydrophobicContact CD1-CG1 4.02Å; L217-M260 HydrophobicContact CD1-CE 4.18Å; L217-L263 HydrophobicContact CB-CD1 3.82Å; L217-L263 HydrophobicContact CD1-CD1 3.71Å; L217-L263 HydrophobicContact CG-CD1 4.45Å
218P94.1Very high95.6Very high38 Ų3858 Ų5825%0.24731%0.314CS..Hα-helixtrans-54.2-42.5178.2-24.632.5000113.4Y215 L216 S222 L263Y215-P218 WeakPolarHBondContact O-CD 3.45Å; L216-P218 VanDerWaalsContact C-CD 3.43Å; P218-S222 PolarHBondContact O-N 3.29Å; P218-S222 PolarHBondContact O-OG 3.49Å; P218-L263 HydrophobicContact CB-CD2 4.44Å; P218-L263 HydrophobicContact CG-CD2 3.87Å
219D93.6Very high95.8Very high106 Ų10654.2 Ų54.257%0.56729%0.291SS*.Hα-helixtrans-71-40.4178.9-66-27.3000111.1L216 L217 S222 N223L216-D219 PolarHBondContact O-N 3.31Å; L217-D219 VanDerWaalsContact C-N 3.27Å; L217-D219 PolarHBondContact O-N 2.96Å; D219-S222 WeakPolarHBondContact O-CB 3.44Å; D219-S222 PolarHBondContact O-N 3.47Å; D219-N223 PolarHBondContact O-N 3.24Å; D219-N223 PolarHBondContact O-ND2 3.49Å; D219-N223 VanDerWaalsContact O-ND2 3.07Å
220F96.1Very high95.9Very high40 Ų4050.5 Ų50.518%0.17527%0.273CS..Hα-helixtrans-60.1-49.2173.9-179.3-91.4000111.6V147 Y200 F202 L216 L217 S222 N223 H224 V227V147-F220 HydrophobicContact CG2-CD1 4.19Å; V147-F220 HydrophobicContact CG2-CE1 3.65Å; Y200-F220 AromaticContact CD1-CZ 3.75Å; Y200-F220 HydrophobicContact CD1-CZ 3.75Å; Y200-F220 HydrophobicContact CD2-CE1 4.09Å; Y200-F220 AromaticContact CD2-CZ 3.88Å; Y200-F220 HydrophobicContact CD2-CZ 3.88Å; Y200-F220 HydrophobicContact CE1-CZ 4.19Å; Y200-F220 HydrophobicContact CE2-CZ 4.32Å; Y200-F220 HydrophobicContact CG-CE1 4.2Å; Y200-F220 AromaticContact CG-CZ 3.59Å; Y200-F220 HydrophobicContact CG-CZ 3.59Å; F202-F220 HydrophobicContact CZ-CD2 4.29Å; F202-F220 HydrophobicContact CZ-CE2 4.07Å; F202-F220 HydrophobicContact CZ-CZ 4.42Å; L216-F220 PolarHBondContact O-N 2.97Å; L216-F220 VanDerWaalsContact O-N 3.15Å; L217-F220 WeakPolarHBondContact O-CB 3.34Å; L217-F220 PolarHBondContact O-N 2.94Å; L217-F220 VanDerWaalsContact O-N 3.16Å; F220-S222 PolarHBondContact O-N 3.48Å; F220-N223 PolarHBondContact O-N 3.45Å; F220-H224 HydrophobicContact CD1-CB 4.4Å; F220-H224 AromaticContact CD1-ND1 3.81Å; F220-H224 AromaticContact CD2-CE1 3.69Å; F220-H224 AromaticContact CD2-ND1 3.63Å; F220-H224 HydrophobicContact CE1-CB 3.95Å; F220-H224 AromaticContact CE1-CG 3.74Å; F220-H224 AromaticContact CE1-ND1 3.59Å; F220-H224 AromaticContact CE2-CE1 3.24Å; F220-H224 WeakPolarHBondContact CE2-CE1 3.39Å; F220-H224 AromaticContact CE2-ND1 3.41Å; F220-H224 WeakPolarHBondContact CE2-ND1 3.45Å; F220-H224 AromaticContact CE2-NE2 3.89Å; F220-H224 AromaticContact CG-ND1 3.81Å; F220-H224 HydrophobicContact CZ-CB 4.34Å; F220-H224 AromaticContact CZ-CD2 3.95Å; F220-H224 AromaticContact CZ-CE1 3.53Å; F220-H224 AromaticContact CZ-CG 3.65Å; F220-H224 AromaticContact CZ-ND1 3.37Å; F220-H224 WeakPolarHBondContact CZ-ND1 3.37Å; F220-H224 AromaticContact CZ-NE2 3.88Å; F220-H224 PolarHBondContact O-N 3.25Å; F220-H224 PolarHBondContact O-ND1 3.38Å; F220-V227 HydrophobicContact CE1-CG2 4.36Å
221L95.3Very high96Very high3 Ų350.5 Ų50.52%0.01627%0.273CS..Hα-helixtrans-66-26.1-179.5-66.6170.2000112.6L217 N223 H224 S225 V227 L263 H267 L269L217-L221 HydrophobicContact CB-CD1 4.36Å; L217-L221 WeakPolarHBondContact O-CB 3.44Å; L217-L221 WeakPolarHBondContact O-CG 3.4Å; L217-L221 PolarHBondContact O-N 3.03Å; L221-N223 VanDerWaalsContact C-N 3.26Å; L221-N223 PolarHBondContact O-N 2.79Å; L221-H224 CarbonylContact O-C 3.26Å; L221-H224 VanDerWaalsContact O-C 3.26Å; L221-H224 PolarHBondContact O-N 2.61Å; L221-S225 PolarHBondContact O-N 2.96Å; L221-V227 HydrophobicContact CD2-CB 3.57Å; L221-V227 HydrophobicContact CD2-CG1 3.49Å; L221-V227 VanDerWaalsContact CD2-CG1 3.49Å; L221-V227 HydrophobicContact CD2-CG2 4.21Å; L221-L263 HydrophobicContact CD1-CD2 3.77Å; L221-H267 HydrophobicContact CD1-CB 4.46Å; L221-L269 HydrophobicContact CD1-CD2 3.71Å; L221-L269 HydrophobicContact CD2-CD2 4.11Å
222S93.2Very high96.1Very high85 Ų8549.6 Ų49.659%0.59427%0.268SS*.Hα-helixtrans-65.9-31.7172.6-610000112.1P218 D219 F220P218-S222 PolarHBondContact O-N 3.29Å; P218-S222 PolarHBondContact O-OG 3.49Å; D219-S222 WeakPolarHBondContact O-CB 3.44Å; D219-S222 PolarHBondContact O-N 3.47Å; F220-S222 PolarHBondContact O-N 3.48Å
223N94.9Very high96.2Very high134 Ų13447.3 Ų47.372%0.71725%0.25SC*.Hα-helixtrans-89.3-17.7174.6-63.7-57.5000113.1D219 F220 L221D219-N223 PolarHBondContact O-N 3.24Å; D219-N223 PolarHBondContact O-ND2 3.49Å; D219-N223 VanDerWaalsContact O-ND2 3.07Å; F220-N223 PolarHBondContact O-N 3.45Å; L221-N223 VanDerWaalsContact C-N 3.26Å; L221-N223 PolarHBondContact O-N 2.79Å
224H95.8Very high96.1Very high53 Ų5345.7 Ų45.725%0.24524%0.242CC..  trans-124.764.6-177.5-55.385.8000110.3Y200 F220 L221 K226 V227Y200-H224 AromaticContact CE1-CD2 3.88Å; Y200-H224 AromaticContact CZ-CD2 3.57Å; Y200-H224 PolarHBondContact OH-CD2 3.36Å; F220-H224 HydrophobicContact CD1-CB 4.4Å; F220-H224 AromaticContact CD1-ND1 3.81Å; F220-H224 AromaticContact CD2-CE1 3.69Å; F220-H224 AromaticContact CD2-ND1 3.63Å; F220-H224 HydrophobicContact CE1-CB 3.95Å; F220-H224 AromaticContact CE1-CG 3.74Å; F220-H224 AromaticContact CE1-ND1 3.59Å; F220-H224 AromaticContact CE2-CE1 3.24Å; F220-H224 WeakPolarHBondContact CE2-CE1 3.39Å; F220-H224 AromaticContact CE2-ND1 3.41Å; F220-H224 WeakPolarHBondContact CE2-ND1 3.45Å; F220-H224 AromaticContact CE2-NE2 3.89Å; F220-H224 AromaticContact CG-ND1 3.81Å; F220-H224 HydrophobicContact CZ-CB 4.34Å; F220-H224 AromaticContact CZ-CD2 3.95Å; F220-H224 AromaticContact CZ-CE1 3.53Å; F220-H224 AromaticContact CZ-CG 3.65Å; F220-H224 AromaticContact CZ-ND1 3.37Å; F220-H224 WeakPolarHBondContact CZ-ND1 3.37Å; F220-H224 AromaticContact CZ-NE2 3.88Å; F220-H224 PolarHBondContact O-N 3.25Å; F220-H224 PolarHBondContact O-ND1 3.38Å; L221-H224 CarbonylContact O-C 3.26Å; L221-H224 VanDerWaalsContact O-C 3.26Å; L221-H224 PolarHBondContact O-N 2.61Å; H224-K226 PolarHBondContact O-N 3.09Å; H224-V227 HydrophobicContact CB-CG2 3.84Å; H224-V227 WeakPolarHBondContact O-CG2 3.28Å; H224-V227 PolarHBondContact O-N 3.44Å; H224-V227 VanDerWaalsContact O-N 3.09Å
225S94Very high96.1Very high110 Ų11045.7 Ų45.777%0.76924%0.242SC*.THydrogen-bonded Turntrans-65-10.9-172.966.50000114.8L221L221-S225 PolarHBondContact O-N 2.96Å
226K96.8Very high96Very high126 Ų12640.3 Ų40.355%0.54822%0.222SC..THydrogen-bonded Turntrans-85.6-11177.3-67.1179.8175.9-178.90113.2G144 E145 H224 Q228G144-K226 CarbonylContact C-O 3.48Å; G144-K226 VanDerWaalsContact CA-O 3.25Å; G144-K226 WeakPolarHBondContact CA-O 3.3Å; E145-K226 HydrophobicContact CG-CB 3.77Å; E145-K226 PolarHBondContact N-O 2.66Å; E145-K226 VanDerWaalsContact OE1-CD 3.24Å; E145-K226 WeakPolarHBondContact OE1-CD 3.47Å; H224-K226 PolarHBondContact O-N 3.09Å; K226-Q228 PolarHBondContact O-N 3.48Å
227V98.3Very high95.8Very high3 Ų338 Ų382%0.01821%0.21CC..EExtended strand (participates in β ladder)trans-64.7120.4177.6174.20000109.8E145 V147 Y200 F220 L221 H224 V230E145-V227 HydrophobicContact CB-CG2 4.03Å; E145-V227 WeakPolarHBondContact O-CA 3.28Å; V147-V227 HydrophobicContact CB-CG1 4.49Å; V147-V227 HydrophobicContact CG2-CG1 3.84Å; V147-V227 HydrophobicContact CG2-CG2 4.16Å; Y200-V227 HydrophobicContact CD2-CG2 4.17Å; Y200-V227 HydrophobicContact CE2-CG2 3.93Å; F220-V227 HydrophobicContact CE1-CG2 4.36Å; L221-V227 HydrophobicContact CD2-CB 3.57Å; L221-V227 HydrophobicContact CD2-CG1 3.49Å; L221-V227 VanDerWaalsContact CD2-CG1 3.49Å; L221-V227 HydrophobicContact CD2-CG2 4.21Å; H224-V227 HydrophobicContact CB-CG2 3.84Å; H224-V227 WeakPolarHBondContact O-CG2 3.28Å; H224-V227 PolarHBondContact O-N 3.44Å; H224-V227 VanDerWaalsContact O-N 3.09Å; V227-V230 HydrophobicContact CG1-CG2 4.4Å
228Q97.9Very high95.7Very high45 Ų4538.3 Ų38.321%0.2121%0.212CC..EExtended strand (participates in β ladder)trans-122.71179-72.2178.6-29.500112.7L108 V133 V142 E145 K226 L269 A270L108-Q228 HydrophobicContact CD2-CB 4.31Å; L108-Q228 WeakPolarHBondContact CD2-O 3.44Å; V133-Q228 HydrophobicContact CG2-CB 3.94Å; V142-Q228 PolarHBondContact O-OE1 3.44Å; E145-Q228 PolarHBondContact O-N 3.44Å; K226-Q228 PolarHBondContact O-N 3.48Å; Q228-L269 CarbonylContact O-C 3.57Å; Q228-L269 VanDerWaalsContact O-CA 3.27Å; Q228-L269 WeakPolarHBondContact O-CA 3.17Å; Q228-L269 WeakPolarHBondContact O-CB 3.49Å; Q228-A270 PolarHBondContact O-N 3.01Å
229L98.8Very high95.5Very high0 Ų036.5 Ų36.50%020%0.2CC..EExtended strand (participates in β ladder)trans-137.4128.3175.6176.862.3000110.8I91 L129 V133 E145 A146 V147 I231 A270 I272I91-L229 HydrophobicContact CD1-CB 4.03Å; I91-L229 HydrophobicContact CD1-CD1 3.96Å; I91-L229 HydrophobicContact CD1-CD2 4.24Å; I91-L229 HydrophobicContact CD1-CG 4.3Å; L129-L229 VanDerWaalsContact C-CD2 3.42Å; L129-L229 HydrophobicContact CB-CD2 3.82Å; L129-L229 WeakPolarHBondContact O-CD2 3.25Å; V133-L229 HydrophobicContact CB-CB 4.05Å; V133-L229 HydrophobicContact CB-CD2 4.08Å; V133-L229 HydrophobicContact CG1-CB 4.13Å; V133-L229 HydrophobicContact CG1-CD2 4.1Å; V133-L229 HydrophobicContact CG2-CB 3.79Å; E145-L229 PolarHBondContact O-N 3.06Å; A146-L229 WeakPolarHBondContact CA-O 3.45Å; A146-L229 HydrophobicContact CB-CB 4.47Å; A146-L229 HydrophobicContact CB-CD2 4.41Å; V147-L229 PolarHBondContact N-O 3.49Å; L229-I231 HydrophobicContact CD1-CG1 4.05Å; L229-I231 HydrophobicContact CD2-CD1 3.78Å; L229-I231 HydrophobicContact CD2-CG1 4.15Å; L229-I231 HydrophobicContact CG-CD1 4.11Å; L229-I231 HydrophobicContact CG-CG1 3.97Å; L229-A270 WeakPolarHBondContact CA-O 3.42Å; L229-A270 HydrophobicContact CD1-CB 4.09Å; L229-I272 HydrophobicContact CD1-CG1 3.76Å
230V98.8Very high94.9Very high0 Ų038.6 Ų38.60%020%0.2CC..EExtended strand (participates in β ladder)trans-118.8122.3167.5177.20000108.3V147 L217 V227 L269 A270 V271 I272V147-V230 HydrophobicContact CB-CG2 4.24Å; V147-V230 CarbonylContact O-C 3.5Å; V147-V230 WeakPolarHBondContact O-CA 3.42Å; L217-V230 HydrophobicContact CD1-CG1 4.02Å; V227-V230 HydrophobicContact CG1-CG2 4.4Å; V230-L269 HydrophobicContact CB-CD1 4.29Å; V230-L269 HydrophobicContact CG2-CD1 3.95Å; V230-L269 HydrophobicContact CG2-CD2 3.88Å; V230-A270 PolarHBondContact N-O 3.16Å; V230-V271 CarbonylContact O-C 3.56Å; V230-V271 VanDerWaalsContact O-CA 3.31Å; V230-V271 WeakPolarHBondContact O-CA 3.27Å; V230-I272 PolarHBondContact O-N 3.46Å
231I98.8Very high93.9Very high0 Ų042.8 Ų42.80%022%0.22CC..EExtended strand (participates in β ladder)trans-108.6134.2175.9-66.6157.2000108.6C126 A130 V147 F148 I149 L229 D233 I272C126-I231 HydrophobicContact CB-CD1 4.22Å; C126-I231 HydrophobicContact CB-CG2 3.8Å; C126-I231 WeakPolarHBondContact O-CD1 3.22Å; A130-I231 HydrophobicContact CB-CD1 4.06Å; V147-I231 PolarHBondContact O-N 2.87Å; F148-I231 HydrophobicContact CD2-CB 4.07Å; F148-I231 HydrophobicContact CD2-CD1 3.64Å; F148-I231 HydrophobicContact CD2-CG1 4.49Å; F148-I231 HydrophobicContact CD2-CG2 3.95Å; F148-I231 HydrophobicContact CE1-CG2 4.44Å; F148-I231 HydrophobicContact CE2-CB 4.38Å; F148-I231 HydrophobicContact CE2-CD1 3.96Å; F148-I231 HydrophobicContact CE2-CG2 3.78Å; F148-I231 HydrophobicContact CG-CB 4.42Å; F148-I231 HydrophobicContact CG-CG2 4.38Å; F148-I231 HydrophobicContact CZ-CG2 4.03Å; I149-I231 WeakPolarHBondContact CB-O 3.32Å; I149-I231 PolarHBondContact N-O 2.89Å; L229-I231 HydrophobicContact CD1-CG1 4.05Å; L229-I231 HydrophobicContact CD2-CD1 3.78Å; L229-I231 HydrophobicContact CD2-CG1 4.15Å; L229-I231 HydrophobicContact CG-CD1 4.11Å; L229-I231 HydrophobicContact CG-CG1 3.97Å; I231-D233 HydrophobicContact CG2-CB 4.42Å; I231-I272 CarbonylContact C-O 3.54Å; I231-I272 WeakPolarHBondContact CA-O 3.4Å; I231-I272 HydrophobicContact CG1-CB 4.02Å; I231-I272 HydrophobicContact CG1-CG1 4.45Å
232I98.4Very high92.8Very high0 Ų048.1 Ų48.10%025%0.249CC..EExtended strand (participates in β ladder)trans-117.6103.1162.3-49.8-179.1000108.2I149 T151 L210 V214 G234 I235 M260 I272 L273 T274I149-I232 HydrophobicContact CB-CG1 4.27Å; I149-I232 HydrophobicContact CB-CG2 4.5Å; I149-I232 HydrophobicContact CD1-CG1 4.22Å; I149-I232 HydrophobicContact CG2-CG2 4.4Å; I149-I232 CarbonylContact O-C 3.56Å; I149-I232 WeakPolarHBondContact O-CA 3.36Å; T151-I232 HydrophobicContact CG2-CG2 4.43Å; L210-I232 HydrophobicContact CD1-CD1 4.4Å; L210-I232 HydrophobicContact CD1-CG2 3.9Å; V214-I232 HydrophobicContact CG2-CD1 4.03Å; I232-G234 PolarHBondContact O-N 2.87Å; I232-I235 HydrophobicContact CD1-CD1 4.32Å; I232-I235 HydrophobicContact CG2-CD1 4.01Å; I232-M260 HydrophobicContact CD1-CE 4.44Å; I232-M260 HydrophobicContact CD1-CG 4.46Å; I232-M260 HydrophobicContact CD1-SD 3.82Å; I232-I272 PolarHBondContact N-O 3.3Å; I232-L273 HydrophobicContact CB-CD2 3.76Å; I232-L273 HydrophobicContact CD1-CD2 3.71Å; I232-L273 HydrophobicContact CG1-CD2 3.81Å; I232-T274 PolarHBondContact O-N 3.07Å
233D97.8Very high92.1Very high0 Ų044.8 Ų44.80%022%0.224CC..EExtended strand (participates in β ladder)trans-87.9106177.6-162.724.2000109.7T123 F148 I149 T151 S154 I231 T274T123-D233 VanDerWaalsContact CB-OD2 3.27Å; T123-D233 WeakPolarHBondContact CB-OD2 3.25Å; T123-D233 WeakPolarHBondContact CG2-OD2 3.31Å; T123-D233 PolarHBondContact OG1-OD1 3.01Å; T123-D233 PolarHBondContact OG1-OD2 3.48Å; F148-D233 HydrophobicContact CE1-CB 3.79Å; F148-D233 HydrophobicContact CZ-CB 3.83Å; I149-D233 PolarHBondContact O-N 3.17Å; T151-D233 PolarHBondContact N-O 3.01Å; T151-D233 PolarHBondContact OG1-O 2.63Å; S154-D233 PolarHBondContact OG-OD2 3.11Å; I231-D233 HydrophobicContact CG2-CB 4.42Å; D233-T274 WeakPolarHBondContact CA-OG1 3.47Å; D233-T274 WeakPolarHBondContact OD1-CB 3.44Å; D233-T274 WeakPolarHBondContact OD1-CG2 3.17Å; D233-T274 PolarHBondContact OD1-OG1 3.43Å
234G95.2Very high91.5Very high0 Ų045.8 Ų45.80%023%0.229CC..THydrogen-bonded Turntrans100.245.717700000114.7T151 I232 A236 L237 P238 T274T151-G234 VanDerWaalsContact OG1-C 3.26Å; T151-G234 WeakPolarHBondContact OG1-CA 3.39Å; T151-G234 PolarHBondContact OG1-O 3.03Å; I232-G234 PolarHBondContact O-N 2.87Å; G234-A236 PolarHBondContact O-N 3.18Å; G234-L237 PolarHBondContact O-N 2.96Å; G234-P238 VanDerWaalsContact O-CD 3.29Å; G234-P238 WeakPolarHBondContact O-CD 3.44Å; G234-T274 PolarHBondContact N-OG1 2.94Å
235I95Very high91.1Very high0 Ų046.8 Ų46.80%024%0.237CC..THydrogen-bonded Turntrans-55.4-24.7-174.9-168.155.2000114.8L210 I232 F239 L256 L273 T274 N275 L292 W296L210-I235 HydrophobicContact CD2-CD1 3.97Å; I232-I235 HydrophobicContact CD1-CD1 4.32Å; I232-I235 HydrophobicContact CG2-CD1 4.01Å; I235-F239 WeakPolarHBondContact O-CD2 3.13Å; I235-L256 HydrophobicContact CD1-CD2 3.3Å; I235-L256 HydrophobicContact CD1-CG 4.48Å; I235-L256 HydrophobicContact CG1-CD2 4.37Å; I235-L273 HydrophobicContact CG2-CB 4.4Å; I235-T274 WeakPolarHBondContact CG2-O 3.36Å; I235-T274 PolarHBondContact N-O 3.15Å; I235-N275 HydrophobicContact CG2-CB 4.11Å; I235-L292 HydrophobicContact CB-CD1 4.47Å; I235-L292 HydrophobicContact CG1-CD1 4.19Å; I235-L292 HydrophobicContact CG2-CD1 3.66Å; I235-W296 HydrophobicContact CD1-CH2 4.18Å; I235-W296 HydrophobicContact CG1-CH2 3.61Å; I235-W296 HydrophobicContact CG1-CZ2 3.58Å; I235-W296 HydrophobicContact CG2-CZ2 4.21Å
236A92.4Very high90.7Very high5 Ų547.2 Ų47.24%0.04123%0.23CC..THydrogen-bonded Turntrans-86.9-25.9-179.700000114.5G234 F239 N275 A291 L292G234-A236 PolarHBondContact O-N 3.18Å; A236-F239 PolarHBondContact O-N 3.35Å; A236-N275 WeakPolarHBondContact CB-OD1 3.39Å; A236-A291 HydrophobicContact CB-CB 4.03Å; A236-L292 HydrophobicContact CB-CD1 4.34Å; A236-L292 HydrophobicContact CB-CD2 3.68Å; A236-L292 HydrophobicContact CB-CG 3.82Å
237L91.7Very high90.3Very high50 Ų5044 Ų4426%0.26222%0.223SC..G310 helixtrans-62.4-47.7-168.3179.468.7000112.3T151 E152 G234 F239 R240T151-L237 WeakPolarHBondContact O-CD2 3.35Å; E152-L237 HydrophobicContact CB-CD2 4.38Å; E152-L237 HydrophobicContact CG-CD2 3.99Å; G234-L237 PolarHBondContact O-N 2.96Å; L237-F239 PolarHBondContact O-N 2.98Å; L237-F239 VanDerWaalsContact O-N 3.16Å; L237-R240 WeakPolarHBondContact O-CB 3.41Å; L237-R240 PolarHBondContact O-N 2.78Å
238P92.3Very high89.9Confident7 Ų746.6 Ų46.65%0.04524%0.237CC..G310 helixtrans-66.2-21.4-177.8-22.835.7000114.4T151 L210 G234T151-P238 HydrophobicContact CG2-CG 3.75Å; L210-P238 HydrophobicContact CD2-CG 4.01Å; G234-P238 VanDerWaalsContact O-CD 3.29Å; G234-P238 WeakPolarHBondContact O-CD 3.44Å
239F89.8Confident89.6Confident0 Ų047 Ų470%024%0.236CC..G310 helixtrans-93.34.6-178.7-64-85.9000113.4Y207 L210 I235 A236 L237 L243 R249 L252 L253 L256Y207-F239 HydrophobicContact CD2-CE1 4.34Å; Y207-F239 HydrophobicContact CG-CD1 4.49Å; Y207-F239 HydrophobicContact CG-CE1 4.35Å; L210-F239 HydrophobicContact CD2-CE2 3.9Å; I235-F239 WeakPolarHBondContact O-CD2 3.13Å; A236-F239 PolarHBondContact O-N 3.35Å; L237-F239 PolarHBondContact O-N 2.98Å; L237-F239 VanDerWaalsContact O-N 3.16Å; F239-L243 HydrophobicContact CD1-CD1 4.49Å; F239-R249 HydrophobicContact CB-CG 4.28Å; F239-R249 HydrophobicContact CD1-CG 4.31Å; F239-R249 PolarHBondContact O-NE 3.5Å; F239-L252 HydrophobicContact CE1-CB 4.02Å; F239-L253 HydrophobicContact CD1-CD2 4.23Å; F239-L253 HydrophobicContact CD1-CG 4.22Å; F239-L253 HydrophobicContact CD2-CD2 3.64Å; F239-L253 HydrophobicContact CD2-CG 4.47Å; F239-L253 HydrophobicContact CE1-CD2 4.2Å; F239-L253 HydrophobicContact CE1-CG 4.27Å; F239-L253 HydrophobicContact CE2-CD2 3.59Å; F239-L253 HydrophobicContact CG-CD2 3.96Å; F239-L253 HydrophobicContact CG-CG 4.31Å; F239-L253 HydrophobicContact CZ-CD2 3.89Å; F239-L253 HydrophobicContact CZ-CG 4.42Å; F239-L256 HydrophobicContact CE2-CD2 4.2Å; F239-L256 HydrophobicContact CZ-CD2 4.27Å
240R82.6Confident89.1Confident150 Ų15049.4 Ų49.457%0.56625%0.251SS*.SBendtrans-89-37.6-171.9-173175.8-177.9173.2-0.6114L237L237-R240 WeakPolarHBondContact O-CB 3.41Å; L237-R240 PolarHBondContact O-N 2.78Å
241H74.7Confident88.8Confident127 Ų12756 Ų5659%0.58828%0.276SS*.SBendtrans-106.7-37-164.8-67.8-66000114.1
242D71.9Confident88.5Confident116 Ų11658 Ų5862%0.6229%0.287SS*.SBendtrans-109.117.9-166.7-55.9-43.1000114.1
243L79.3Confident88.2Confident14 Ų1458.4 Ų58.47%0.07329%0.288CS..  trans-140.683.2-172-135.9151.4000113Y207 F239 D245 L248 R249 L252Y207-L243 HydrophobicContact CD1-CD1 3.84Å; Y207-L243 HydrophobicContact CD2-CD1 3.82Å; Y207-L243 HydrophobicContact CE1-CD1 3.67Å; Y207-L243 HydrophobicContact CE1-CG 4.5Å; Y207-L243 HydrophobicContact CE2-CD1 3.65Å; Y207-L243 HydrophobicContact CG-CD1 3.92Å; F239-L243 HydrophobicContact CD1-CD1 4.49Å; L243-D245 VanDerWaalsContact CD2-O 3.28Å; L243-D245 WeakPolarHBondContact CD2-O 3.29Å; L243-L248 HydrophobicContact CD2-CB 4.06Å; L243-L248 HydrophobicContact CD2-CD2 4.13Å; L243-L248 HydrophobicContact CD2-CG 4.05Å; L243-R249 HydrophobicContact CD2-CB 3.73Å; L243-L252 HydrophobicContact CD1-CD1 3.85Å
244D80.7Confident87.9Confident155 Ų15561.6 Ų61.683%0.82931%0.306SS*.  trans-71.2-28179.6-67.2-34.6000113.3L246D244-L246 PolarHBondContact O-N 3.2Å
245D88.1Confident87.8Confident75 Ų7562.7 Ų62.740%0.40132%0.317SS..  trans-75.493.7176-178.2-4.3000110.8L243 S247 L248 R249L243-D245 VanDerWaalsContact CD2-O 3.28Å; L243-D245 WeakPolarHBondContact CD2-O 3.29Å; D245-S247 PolarHBondContact O-N 3.4Å; D245-S247 VanDerWaalsContact O-N 3.16Å; D245-S247 WeakPolarHBondContact OD1-CA 3.35Å; D245-S247 VanDerWaalsContact OD1-CB 3.23Å; D245-S247 WeakPolarHBondContact OD1-CB 3.14Å; D245-S247 PolarHBondContact OD1-N 3.4Å; D245-S247 PolarHBondContact OD1-OG 2.76Å; D245-S247 PolarHBondContact OD2-OG 3.09Å; D245-L248 HydrophobicContact CB-CB 3.89Å; D245-L248 PolarHBondContact O-N 3.14Å; D245-L248 VanDerWaalsContact O-N 3.13Å; D245-L248 PolarHBondContact OD1-N 2.98Å; D245-L248 VanDerWaalsContact OD1-N 3.09Å; D245-L248 WeakPolarHBondContact OD2-CB 3.17Å; D245-R249 PolarHBondContact O-N 2.8Å
246L85.2Confident87.7Confident119 Ų11962.7 Ų62.762%0.62332%0.317SS*.Hα-helixtrans-55.6-30.8176.5-63.8179000113.3D244 T250D244-L246 PolarHBondContact O-N 3.2Å; L246-T250 WeakPolarHBondContact O-CB 3.21Å; L246-T250 PolarHBondContact O-N 3.03Å; L246-T250 PolarHBondContact O-OG1 3.25Å
247S88.5Confident87.8Confident59 Ų5962.7 Ų62.741%0.41332%0.317SS..Hα-helixtrans-71.5-45178.8850000110.7D245 T250 R251D245-S247 PolarHBondContact O-N 3.4Å; D245-S247 VanDerWaalsContact O-N 3.16Å; D245-S247 WeakPolarHBondContact OD1-CA 3.35Å; D245-S247 VanDerWaalsContact OD1-CB 3.23Å; D245-S247 WeakPolarHBondContact OD1-CB 3.14Å; D245-S247 PolarHBondContact OD1-N 3.4Å; D245-S247 PolarHBondContact OD1-OG 2.76Å; D245-S247 PolarHBondContact OD2-OG 3.09Å; S247-T250 PolarHBondContact O-N 2.98Å; S247-R251 WeakPolarHBondContact O-CG 3.27Å; S247-R251 PolarHBondContact O-N 2.87Å; S247-R251 PolarHBondContact O-NH1 3.46Å; S247-R251 PolarHBondContact OG-NH1 2.77Å
248L90.1Very high87.8Confident57 Ų5766.1 Ų66.130%0.29833%0.331SS..Hα-helixtrans-63.3-46.8174.7177.661.6000110.3L243 D245 T250 R251 L252L243-L248 HydrophobicContact CD2-CB 4.06Å; L243-L248 HydrophobicContact CD2-CD2 4.13Å; L243-L248 HydrophobicContact CD2-CG 4.05Å; D245-L248 HydrophobicContact CB-CB 3.89Å; D245-L248 PolarHBondContact O-N 3.14Å; D245-L248 VanDerWaalsContact O-N 3.13Å; D245-L248 PolarHBondContact OD1-N 2.98Å; D245-L248 VanDerWaalsContact OD1-N 3.09Å; D245-L248 WeakPolarHBondContact OD2-CB 3.17Å; L248-T250 VanDerWaalsContact C-N 3.28Å; L248-T250 PolarHBondContact O-N 2.92Å; L248-R251 PolarHBondContact O-N 3Å; L248-R251 VanDerWaalsContact O-N 3.09Å; L248-L252 HydrophobicContact CD1-CD1 4.04Å; L248-L252 HydrophobicContact CD1-CD2 4.33Å; L248-L252 HydrophobicContact CD1-CG 3.96Å; L248-L252 HydrophobicContact CG-CD1 3.9Å; L248-L252 HydrophobicContact CG-CG 4.25Å; L248-L252 WeakPolarHBondContact O-CG 3.39Å; L248-L252 PolarHBondContact O-N 2.7Å
249R90.8Very high87.9Confident52 Ų5268.2 Ų68.220%0.19634%0.341CS..Hα-helixtrans-50.6-49.7175.3-171.4175.6162.9-174.3-4.9111.6F239 L243 D245 L252 L253F239-R249 HydrophobicContact CB-CG 4.28Å; F239-R249 HydrophobicContact CD1-CG 4.31Å; F239-R249 PolarHBondContact O-NE 3.5Å; L243-R249 HydrophobicContact CD2-CB 3.73Å; D245-R249 PolarHBondContact O-N 2.8Å; R249-L252 PolarHBondContact O-N 2.54Å; R249-L253 HydrophobicContact CG-CD1 3.97Å; R249-L253 WeakPolarHBondContact O-CB 3.33Å; R249-L253 WeakPolarHBondContact O-CG 3.38Å; R249-L253 PolarHBondContact O-N 3.12Å
250T89.4Confident88.1Confident52 Ų5268.3 Ų68.332%0.31934%0.341SS..Hα-helixtrans-64.1-42.3-179.7-58.40000111.6L246 S247 L248 N254L246-T250 WeakPolarHBondContact O-CB 3.21Å; L246-T250 PolarHBondContact O-N 3.03Å; L246-T250 PolarHBondContact O-OG1 3.25Å; S247-T250 PolarHBondContact O-N 2.98Å; L248-T250 VanDerWaalsContact C-N 3.28Å; L248-T250 PolarHBondContact O-N 2.92Å; T250-N254 VanDerWaalsContact O-CB 3.32Å; T250-N254 WeakPolarHBondContact O-CB 3.06Å; T250-N254 PolarHBondContact O-N 3.46Å; T250-N254 PolarHBondContact O-ND2 2.85Å
251R91.1Very high88.6Confident139 Ų13963.3 Ų63.353%0.52533%0.325SS..Hα-helixtrans-63.3-44.3176.9-72.2-170-58.2-84.42.1112.2S247 L248 N254 G255S247-R251 WeakPolarHBondContact O-CG 3.27Å; S247-R251 PolarHBondContact O-N 2.87Å; S247-R251 PolarHBondContact O-NH1 3.46Å; S247-R251 PolarHBondContact OG-NH1 2.77Å; L248-R251 PolarHBondContact O-N 3Å; L248-R251 VanDerWaalsContact O-N 3.09Å; R251-N254 PolarHBondContact O-N 2.92Å; R251-G255 PolarHBondContact O-N 3.21Å
252L93Very high89.4Confident42 Ų4259.5 Ų59.522%0.2231%0.313CS..Hα-helixtrans-64.6-47.7179.5-67176.1000111.3Y207 L211 F239 L243 L248 R249 N254 G255 L256Y207-L252 HydrophobicContact CD2-CD1 3.98Å; Y207-L252 HydrophobicContact CE2-CD1 3.85Å; L211-L252 HydrophobicContact CD1-CB 4.41Å; L211-L252 HydrophobicContact CD1-CD1 4.18Å; L211-L252 HydrophobicContact CD1-CD2 3.87Å; L211-L252 HydrophobicContact CD1-CG 4.37Å; F239-L252 HydrophobicContact CE1-CB 4.02Å; L243-L252 HydrophobicContact CD1-CD1 3.85Å; L248-L252 HydrophobicContact CD1-CD1 4.04Å; L248-L252 HydrophobicContact CD1-CD2 4.33Å; L248-L252 HydrophobicContact CD1-CG 3.96Å; L248-L252 HydrophobicContact CG-CD1 3.9Å; L248-L252 HydrophobicContact CG-CG 4.25Å; L248-L252 WeakPolarHBondContact O-CG 3.39Å; L248-L252 PolarHBondContact O-N 2.7Å; R249-L252 PolarHBondContact O-N 2.54Å; L252-N254 PolarHBondContact O-N 2.66Å; L252-G255 PolarHBondContact O-N 3.49Å; L252-L256 WeakPolarHBondContact O-CB 3.35Å; L252-L256 PolarHBondContact O-N 3.33Å
253L92.8Very high90.5Very high7 Ų754.2 Ų54.24%0.03728%0.284CS..Hα-helixtrans-59.6-44.6175.4-75.3171.3000111.7F239 R249 G255 L256 A257 L292 W296F239-L253 HydrophobicContact CD1-CD2 4.23Å; F239-L253 HydrophobicContact CD1-CG 4.22Å; F239-L253 HydrophobicContact CD2-CD2 3.64Å; F239-L253 HydrophobicContact CD2-CG 4.47Å; F239-L253 HydrophobicContact CE1-CD2 4.2Å; F239-L253 HydrophobicContact CE1-CG 4.27Å; F239-L253 HydrophobicContact CE2-CD2 3.59Å; F239-L253 HydrophobicContact CG-CD2 3.96Å; F239-L253 HydrophobicContact CG-CG 4.31Å; F239-L253 HydrophobicContact CZ-CD2 3.89Å; F239-L253 HydrophobicContact CZ-CG 4.42Å; R249-L253 HydrophobicContact CG-CD1 3.97Å; R249-L253 WeakPolarHBondContact O-CB 3.33Å; R249-L253 WeakPolarHBondContact O-CG 3.38Å; R249-L253 PolarHBondContact O-N 3.12Å; L253-G255 VanDerWaalsContact C-N 3.34Å; L253-G255 PolarHBondContact O-N 3.46Å; L253-L256 WeakPolarHBondContact O-CB 3.35Å; L253-L256 PolarHBondContact O-N 3.4Å; L253-A257 WeakPolarHBondContact O-CB 3.25Å; L253-A257 PolarHBondContact O-N 2.89Å; L253-L292 HydrophobicContact CD1-CD2 3.83Å; L253-L292 HydrophobicContact CD2-CD1 4.24Å; L253-L292 HydrophobicContact CD2-CD2 4.15Å; L253-W296 HydrophobicContact CB-CE3 3.89Å; L253-W296 HydrophobicContact CB-CZ3 3.95Å; L253-W296 HydrophobicContact CD2-CE3 4.07Å; L253-W296 HydrophobicContact CD2-CH2 4.49Å; L253-W296 HydrophobicContact CD2-CZ3 3.8Å; L253-W296 HydrophobicContact CG-CE3 4.47Å; L253-W296 HydrophobicContact CG-CZ3 4.48Å; L253-W296 VanDerWaalsContact O-CZ3 3.31Å; L253-W296 WeakPolarHBondContact O-CZ3 3.45Å
254N91.6Very high91.2Very high68 Ų6853.6 Ų53.636%0.36428%0.281SS..Hα-helixtrans-62.6-41.5176.3-74.2-16.7000112T250 R251 L252 L256 A257 Q258T250-N254 VanDerWaalsContact O-CB 3.32Å; T250-N254 WeakPolarHBondContact O-CB 3.06Å; T250-N254 PolarHBondContact O-N 3.46Å; T250-N254 PolarHBondContact O-ND2 2.85Å; R251-N254 PolarHBondContact O-N 2.92Å; L252-N254 PolarHBondContact O-N 2.66Å; N254-L256 VanDerWaalsContact C-N 3.35Å; N254-A257 PolarHBondContact O-N 3.26Å; N254-Q258 VanDerWaalsContact O-CG 3.29Å; N254-Q258 WeakPolarHBondContact O-CG 3.24Å; N254-Q258 PolarHBondContact O-N 2.96Å
255G92.1Very high91.6Very high22 Ų2249.8 Ų49.823%0.22726%0.261CS..Hα-helixtrans-59.5-46.5174.200000111.9R251 L252 L253 A257 Q258 Q259R251-G255 PolarHBondContact O-N 3.21Å; L252-G255 PolarHBondContact O-N 3.49Å; L253-G255 VanDerWaalsContact C-N 3.34Å; L253-G255 PolarHBondContact O-N 3.46Å; G255-A257 PolarHBondContact O-N 2.88Å; G255-Q258 PolarHBondContact O-N 2.81Å; G255-Q259 WeakPolarHBondContact O-CG 3.29Å; G255-Q259 PolarHBondContact O-N 2.93Å
256L94Very high91.7Very high0 Ų051.6 Ų51.60%027%0.27CS..Hα-helixtrans-60-46.4177.7-171.573000112.2L210 L211 V214 I235 F239 L252 L253 N254 Q258 Q259 M260 W296L210-L256 HydrophobicContact CD2-CD2 4.33Å; L211-L256 HydrophobicContact CD2-CB 4.31Å; L211-L256 HydrophobicContact CD2-CD1 3.99Å; V214-L256 HydrophobicContact CB-CD1 3.68Å; V214-L256 HydrophobicContact CG1-CD1 3.52Å; V214-L256 HydrophobicContact CG2-CD1 3.57Å; I235-L256 HydrophobicContact CD1-CD2 3.3Å; I235-L256 HydrophobicContact CD1-CG 4.48Å; I235-L256 HydrophobicContact CG1-CD2 4.37Å; F239-L256 HydrophobicContact CE2-CD2 4.2Å; F239-L256 HydrophobicContact CZ-CD2 4.27Å; L252-L256 WeakPolarHBondContact O-CB 3.35Å; L252-L256 PolarHBondContact O-N 3.33Å; L253-L256 WeakPolarHBondContact O-CB 3.35Å; L253-L256 PolarHBondContact O-N 3.4Å; N254-L256 VanDerWaalsContact C-N 3.35Å; L256-Q258 VanDerWaalsContact C-N 3.35Å; L256-Q258 PolarHBondContact O-N 2.91Å; L256-Q259 PolarHBondContact O-N 2.96Å; L256-M260 WeakPolarHBondContact O-CG 3.49Å; L256-M260 PolarHBondContact O-N 3.44Å; L256-W296 HydrophobicContact CD2-CH2 4.47Å
257A93.3Very high91.9Very high5 Ų548.9 Ų48.94%0.04125%0.254CS..Hα-helixtrans-58.3-45.4175.200000112.1L253 N254 G255 Q259 M260 I261 W296 A299L253-A257 WeakPolarHBondContact O-CB 3.25Å; L253-A257 PolarHBondContact O-N 2.89Å; N254-A257 PolarHBondContact O-N 3.26Å; G255-A257 PolarHBondContact O-N 2.88Å; A257-Q259 VanDerWaalsContact C-N 3.33Å; A257-Q259 PolarHBondContact O-N 2.84Å; A257-M260 PolarHBondContact O-N 2.88Å; A257-I261 VanDerWaalsContact O-CG1 3.28Å; A257-I261 WeakPolarHBondContact O-CG1 3.37Å; A257-I261 PolarHBondContact O-N 2.97Å; A257-W296 HydrophobicContact CB-CE3 4.44Å; A257-W296 HydrophobicContact CB-CH2 4.4Å; A257-W296 HydrophobicContact CB-CZ3 3.98Å; A257-A299 HydrophobicContact CB-CB 3.45Å; A257-A299 VanDerWaalsContact CB-CB 3.45Å
258Q92.3Very high92Very high123 Ų12354 Ų5458%0.57526%0.264SS*.Hα-helixtrans-63.6-38.9177.6-69-61.3-48.100112.1N254 G255 L256 I261 S262N254-Q258 VanDerWaalsContact O-CG 3.29Å; N254-Q258 WeakPolarHBondContact O-CG 3.24Å; N254-Q258 PolarHBondContact O-N 2.96Å; G255-Q258 PolarHBondContact O-N 2.81Å; L256-Q258 VanDerWaalsContact C-N 3.35Å; L256-Q258 PolarHBondContact O-N 2.91Å; Q258-I261 PolarHBondContact O-N 3.16Å; Q258-S262 WeakPolarHBondContact O-CB 3.42Å; Q258-S262 PolarHBondContact O-N 3.06Å
259Q94Very high92.3Very high51 Ų5151.2 Ų51.224%0.23825%0.25CS..Hα-helixtrans-63.1-45.7174.1-69.2-57.9-20.600111.5V214 Y215 G255 L256 A257 I261 S262 L263V214-Q259 HydrophobicContact CG1-CB 3.96Å; Y215-Q259 HydrophobicContact CD1-CG 4.32Å; Y215-Q259 HydrophobicContact CE1-CG 3.77Å; G255-Q259 WeakPolarHBondContact O-CG 3.29Å; G255-Q259 PolarHBondContact O-N 2.93Å; L256-Q259 PolarHBondContact O-N 2.96Å; A257-Q259 VanDerWaalsContact C-N 3.33Å; A257-Q259 PolarHBondContact O-N 2.84Å; Q259-I261 PolarHBondContact O-N 2.91Å; Q259-S262 WeakPolarHBondContact O-CB 3.32Å; Q259-S262 PolarHBondContact O-N 3.45Å; Q259-S262 VanDerWaalsContact O-N 3.16Å; Q259-L263 WeakPolarHBondContact O-CG 3.44Å; Q259-L263 PolarHBondContact O-N 3.43Å
260M94.5Very high92.6Very high1 Ų148.8 Ų48.81%0.00524%0.241CC..Hα-helixtrans-60.2-44176.9-71.5-56.7102.400112.9T111 V214 L217 I232 L256 A257 S262 L263 A264 V271 L273T111-M260 HydrophobicContact CG2-CB 4.23Å; V214-M260 HydrophobicContact CB-CE 3.99Å; V214-M260 HydrophobicContact CG1-CE 3.2Å; V214-M260 HydrophobicContact CG2-CE 3.75Å; L217-M260 HydrophobicContact CD1-CE 4.18Å; I232-M260 HydrophobicContact CD1-CE 4.44Å; I232-M260 HydrophobicContact CD1-CG 4.46Å; I232-M260 HydrophobicContact CD1-SD 3.82Å; L256-M260 WeakPolarHBondContact O-CG 3.49Å; L256-M260 PolarHBondContact O-N 3.44Å; A257-M260 PolarHBondContact O-N 2.88Å; M260-S262 VanDerWaalsContact C-N 3.31Å; M260-S262 PolarHBondContact O-N 2.94Å; M260-L263 HydrophobicContact CE-CD1 3.56Å; M260-L263 PolarHBondContact O-N 2.83Å; M260-L263 HydrophobicContact SD-CD1 4.5Å; M260-A264 WeakPolarHBondContact O-CB 3.31Å; M260-A264 PolarHBondContact O-N 3.49Å; M260-V271 HydrophobicContact CB-CG1 4.16Å; M260-V271 HydrophobicContact CG-CG1 4.13Å; M260-V271 HydrophobicContact SD-CG1 3.75Å; M260-V271 HydrophobicContact SD-CG2 4.43Å; M260-L273 HydrophobicContact CG-CD2 4.45Å
261I93.3Very high93.1Very high46 Ų4646.3 Ų46.324%0.23623%0.226CC..Hα-helixtrans-61.9-42.7175.8-67.2164.3000110.2T111 A257 Q258 Q259 N265T111-I261 HydrophobicContact CG2-CG1 3.95Å; A257-I261 VanDerWaalsContact O-CG1 3.28Å; A257-I261 WeakPolarHBondContact O-CG1 3.37Å; A257-I261 PolarHBondContact O-N 2.97Å; Q258-I261 PolarHBondContact O-N 3.16Å; Q259-I261 PolarHBondContact O-N 2.91Å; I261-N265 PolarHBondContact O-N 2.91Å; I261-N265 PolarHBondContact O-ND2 3.35Å
262S92.4Very high93.4Very high47 Ų4739.7 Ų39.733%0.32920%0.201SC..Hα-helixtrans-63.5-44.4177.3-168.20000111.7Q258 Q259 M260 N265 N266Q258-S262 WeakPolarHBondContact O-CB 3.42Å; Q258-S262 PolarHBondContact O-N 3.06Å; Q259-S262 WeakPolarHBondContact O-CB 3.32Å; Q259-S262 PolarHBondContact O-N 3.45Å; Q259-S262 VanDerWaalsContact O-N 3.16Å; M260-S262 VanDerWaalsContact C-N 3.31Å; M260-S262 PolarHBondContact O-N 2.94Å; S262-N265 PolarHBondContact O-N 2.82Å; S262-N266 VanDerWaalsContact O-CB 3.24Å; S262-N266 WeakPolarHBondContact O-CB 3.35Å; S262-N266 PolarHBondContact O-N 3.4Å; S262-N266 PolarHBondContact O-ND2 3.13Å; S262-N266 PolarHBondContact OG-ND2 3.29Å
263L93.2Very high93.7Very high5 Ų537.8 Ų37.83%0.02619%0.191CC..Hα-helixtrans-61.3-47.8178.3-74.1-179.9000111.5L217 P218 L221 Q259 M260 N265 N266 H267L217-L263 HydrophobicContact CB-CD1 3.82Å; L217-L263 HydrophobicContact CD1-CD1 3.71Å; L217-L263 HydrophobicContact CG-CD1 4.45Å; P218-L263 HydrophobicContact CB-CD2 4.44Å; P218-L263 HydrophobicContact CG-CD2 3.87Å; L221-L263 HydrophobicContact CD1-CD2 3.77Å; Q259-L263 WeakPolarHBondContact O-CG 3.44Å; Q259-L263 PolarHBondContact O-N 3.43Å; M260-L263 HydrophobicContact CE-CD1 3.56Å; M260-L263 PolarHBondContact O-N 2.83Å; M260-L263 HydrophobicContact SD-CD1 4.5Å; L263-N265 VanDerWaalsContact C-N 3.31Å; L263-N265 PolarHBondContact O-N 3.44Å; L263-N266 PolarHBondContact O-N 3.2Å; L263-H267 WeakPolarHBondContact O-CB 3.29Å; L263-H267 PolarHBondContact O-N 2.9Å
264A94.2Very high93.9Very high0 Ų037.5 Ų37.50%019%0.189CC..Hα-helixtrans-54.3-48.1178.300000111.7M109 M260 R268 L269 V271M109-A264 WeakPolarHBondContact CA-O 3.45Å; M260-A264 WeakPolarHBondContact O-CB 3.31Å; M260-A264 PolarHBondContact O-N 3.49Å; A264-R268 WeakPolarHBondContact O-CA 3.29Å; A264-R268 PolarHBondContact O-N 2.72Å; A264-L269 WeakPolarHBondContact CA-O 3.36Å; A264-L269 HydrophobicContact CB-CD1 4.37Å; A264-L269 PolarHBondContact O-N 2.9Å; A264-V271 HydrophobicContact CB-CG2 3.95Å
265N90.4Very high94.1Very high75 Ų7534.2 Ų34.240%0.40117%0.172SC..Hα-helixtrans-74-41.6-177.5-71.7-58.3000113.2I261 S262 L263I261-N265 PolarHBondContact O-N 2.91Å; I261-N265 PolarHBondContact O-ND2 3.35Å; S262-N265 PolarHBondContact O-N 2.82Å; L263-N265 VanDerWaalsContact C-N 3.31Å; L263-N265 PolarHBondContact O-N 3.44Å
266N89.1Confident94.2Very high113 Ų11335 Ų3560%0.60417%0.17SC*.Hα-helixtrans-76-33.1-174.2-67.5-16000112.7S262 L263S262-N266 VanDerWaalsContact O-CB 3.24Å; S262-N266 WeakPolarHBondContact O-CB 3.35Å; S262-N266 PolarHBondContact O-N 3.4Å; S262-N266 PolarHBondContact O-ND2 3.13Å; S262-N266 PolarHBondContact OG-ND2 3.29Å; L263-N266 PolarHBondContact O-N 3.2Å
267H89.7Confident94.2Very high62 Ų6236.5 Ų36.529%0.28718%0.177SC..Hα-helixtrans-108.57.8-175.4-63.2-89.7000113.6L221 L263 L269L221-H267 HydrophobicContact CD1-CB 4.46Å; L263-H267 WeakPolarHBondContact O-CB 3.29Å; L263-H267 PolarHBondContact O-N 2.9Å; H267-L269 HydrophobicContact CB-CD2 3.7Å; H267-L269 HydrophobicContact CB-CG 4.17Å; H267-L269 PolarHBondContact O-N 3.11Å
268R91.8Very high94.1Very high166 Ų16639.2 Ų39.263%0.62619%0.193SC*.THydrogen-bonded Turntrans53.138.6-178.4-61.6-174.2173.7-147.4-3.3114M109 A264M109-R268 HydrophobicContact CG-CB 4.29Å; M109-R268 HydrophobicContact CG-CG 4.4Å; M109-R268 HydrophobicContact SD-CG 4.11Å; A264-R268 WeakPolarHBondContact O-CA 3.29Å; A264-R268 PolarHBondContact O-N 2.72Å
269L95.3Very high94.1Very high0 Ų037.1 Ų37.10%019%0.189CC..  trans-108.4153.3-178.162.581.7000112.2M109 L221 Q228 V230 A264 H267 V271M109-L269 WeakPolarHBondContact CA-O 3.29Å; M109-L269 PolarHBondContact N-O 3.35Å; L221-L269 HydrophobicContact CD1-CD2 3.71Å; L221-L269 HydrophobicContact CD2-CD2 4.11Å; Q228-L269 CarbonylContact O-C 3.57Å; Q228-L269 VanDerWaalsContact O-CA 3.27Å; Q228-L269 WeakPolarHBondContact O-CA 3.17Å; Q228-L269 WeakPolarHBondContact O-CB 3.49Å; V230-L269 HydrophobicContact CB-CD1 4.29Å; V230-L269 HydrophobicContact CG2-CD1 3.95Å; V230-L269 HydrophobicContact CG2-CD2 3.88Å; A264-L269 WeakPolarHBondContact CA-O 3.36Å; A264-L269 HydrophobicContact CB-CD1 4.37Å; A264-L269 PolarHBondContact O-N 2.9Å; H267-L269 HydrophobicContact CB-CD2 3.7Å; H267-L269 HydrophobicContact CB-CG 4.17Å; H267-L269 PolarHBondContact O-N 3.11Å; L269-V271 HydrophobicContact CD1-CG2 3.36Å
270A98.1Very high93.9Very high0 Ų039.5 Ų39.50%020%0.198CC..EExtended strand (participates in β ladder)trans-82.2139.1164.800000109.9I91 I106 L108 Q228 L229 V230I91-A270 HydrophobicContact CD1-CB 3.86Å; I106-A270 HydrophobicContact CG2-CB 4.08Å; L108-A270 HydrophobicContact CD2-CB 3.93Å; Q228-A270 PolarHBondContact O-N 3.01Å; L229-A270 WeakPolarHBondContact CA-O 3.42Å; L229-A270 HydrophobicContact CD1-CB 4.09Å; V230-A270 PolarHBondContact N-O 3.16Å
271V98.4Very high93.7Very high0 Ų046.3 Ų46.30%023%0.233CC..EExtended strand (participates in β ladder)trans-112.4124.1170.7-179.70000109.2K110 T111 T112 V230 M260 A264 L269 L273K110-V271 PolarHBondContact O-N 3.17Å; T111-V271 CarbonylContact C-O 3.57Å; T111-V271 WeakPolarHBondContact CA-O 3.36Å; T111-V271 HydrophobicContact CG2-CB 4.05Å; T111-V271 HydrophobicContact CG2-CG1 4.44Å; T111-V271 HydrophobicContact CG2-CG2 4.5Å; T112-V271 PolarHBondContact N-O 3.16Å; V230-V271 CarbonylContact O-C 3.56Å; V230-V271 VanDerWaalsContact O-CA 3.31Å; V230-V271 WeakPolarHBondContact O-CA 3.27Å; M260-V271 HydrophobicContact CB-CG1 4.16Å; M260-V271 HydrophobicContact CG-CG1 4.13Å; M260-V271 HydrophobicContact SD-CG1 3.75Å; M260-V271 HydrophobicContact SD-CG2 4.43Å; A264-V271 HydrophobicContact CB-CG2 3.95Å; L269-V271 HydrophobicContact CD1-CG2 3.36Å; V271-L273 HydrophobicContact CG1-CD2 3.75Å; V271-L273 HydrophobicContact CG1-CG 4.02Å
272I98.4Very high93.5Very high0 Ų048.8 Ų48.80%025%0.247CC..EExtended strand (participates in β ladder)trans-108.8128.3173.7-61.2-59.8000109.4I106 T112 V114 L129 L229 V230 I231 I232I106-I272 HydrophobicContact CD1-CD1 4.16Å; I106-I272 HydrophobicContact CG1-CD1 4.37Å; I106-I272 HydrophobicContact CG2-CD1 3.5Å; I106-I272 VanDerWaalsContact CG2-CD1 3.5Å; I106-I272 HydrophobicContact CG2-CG1 4.45Å; T112-I272 HydrophobicContact CG2-CD1 4.12Å; T112-I272 WeakPolarHBondContact O-CA 3.16Å; V114-I272 HydrophobicContact CG2-CG2 4.43Å; L129-I272 HydrophobicContact CD1-CD1 4.18Å; L129-I272 HydrophobicContact CD1-CG1 4.02Å; L229-I272 HydrophobicContact CD1-CG1 3.76Å; V230-I272 PolarHBondContact O-N 3.46Å; I231-I272 CarbonylContact C-O 3.54Å; I231-I272 WeakPolarHBondContact CA-O 3.4Å; I231-I272 HydrophobicContact CG1-CB 4.02Å; I231-I272 HydrophobicContact CG1-CG1 4.45Å; I232-I272 PolarHBondContact N-O 3.3Å
273L98.1Very high92.9Very high3 Ų356 Ų562%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-122.5123.9177.4-53174.2000108.2T112 E113 V114 I232 I235 M260 V271 W296T112-L273 PolarHBondContact O-N 2.76Å; E113-L273 CarbonylContact C-O 3.49Å; E113-L273 VanDerWaalsContact CA-O 3.24Å; E113-L273 WeakPolarHBondContact CA-O 3.35Å; V114-L273 PolarHBondContact N-O 2.83Å; I232-L273 HydrophobicContact CB-CD2 3.76Å; I232-L273 HydrophobicContact CD1-CD2 3.71Å; I232-L273 HydrophobicContact CG1-CD2 3.81Å; I235-L273 HydrophobicContact CG2-CB 4.4Å; M260-L273 HydrophobicContact CG-CD2 4.45Å; V271-L273 HydrophobicContact CG1-CD2 3.75Å; V271-L273 HydrophobicContact CG1-CG 4.02Å; L273-W296 HydrophobicContact CD1-CH2 4.33Å; L273-W296 HydrophobicContact CD1-CZ2 3.74Å
274T97.9Very high92.5Very high0 Ų063.7 Ų63.70%031%0.313CS..EExtended strand (participates in β ladder)trans-96.1137.517276.90000110.9V114 K122 C126 I232 D233 G234 I235V114-T274 WeakPolarHBondContact O-CA 3.28Å; K122-T274 HydrophobicContact CB-CG2 4.14Å; C126-T274 WeakPolarHBondContact SG-CG2 3.32Å; I232-T274 PolarHBondContact O-N 3.07Å; D233-T274 WeakPolarHBondContact CA-OG1 3.47Å; D233-T274 WeakPolarHBondContact OD1-CB 3.44Å; D233-T274 WeakPolarHBondContact OD1-CG2 3.17Å; D233-T274 PolarHBondContact OD1-OG1 3.43Å; G234-T274 PolarHBondContact N-OG1 2.94Å; I235-T274 WeakPolarHBondContact CG2-O 3.36Å; I235-T274 PolarHBondContact N-O 3.15Å
275N95.8Very high92.3Very high0 Ų069.7 Ų69.70%034%0.341CS..EExtended strand (participates in β ladder)trans-128.3138.9-179.1-164.2-6000110.5E113 V114 C115 G116 I235 A236E113-N275 HydrophobicContact CG-CB 4.13Å; E113-N275 WeakPolarHBondContact OE1-CB 3.35Å; E113-N275 PolarHBondContact OE1-ND2 3.42Å; V114-N275 PolarHBondContact O-N 3.17Å; C115-N275 WeakPolarHBondContact CA-O 3.34Å; G116-N275 PolarHBondContact N-O 3.49Å; I235-N275 HydrophobicContact CG2-CB 4.11Å; A236-N275 WeakPolarHBondContact CB-OD1 3.39Å
276Q93.8Very high92.3Very high38 Ų3869.8 Ų69.818%0.17835%0.353CS..EExtended strand (participates in β ladder)trans-80.4162.7175.3-62.3178.52.400110E152 A291E152-Q276 PolarHBondContact OE1-NE2 2.96Å; Q276-A291 WeakPolarHBondContact O-CB 3.33Å; Q276-A291 PolarHBondContact O-N 2.9Å
277M93.6Very high92.4Very high32 Ų3268.6 Ų68.616%0.15835%0.346CS..EExtended strand (participates in β ladder)trans-96.5145.7173-66.1-64.8-162.300110.8C115 L288 V289 P290 I305C115-M277 HydrophobicContact CB-CE 3.56Å; C115-M277 HydrophobicContact CB-SD 4.14Å; M277-L288 HydrophobicContact CB-CD1 3.58Å; M277-L288 HydrophobicContact CB-CD2 3.91Å; M277-L288 HydrophobicContact CB-CG 3.64Å; M277-L288 HydrophobicContact CG-CD1 4.44Å; M277-L288 HydrophobicContact CG-CD2 3.87Å; M277-L288 HydrophobicContact CG-CG 3.98Å; M277-L288 HydrophobicContact SD-CG 4.37Å; M277-V289 CarbonylContact C-O 3.58Å; M277-V289 WeakPolarHBondContact CA-O 3.4Å; M277-P290 HydrophobicContact SD-CG 4.15Å; M277-I305 HydrophobicContact CE-CB 4.4Å; M277-I305 HydrophobicContact CE-CG1 4.24Å; M277-I305 HydrophobicContact CE-CG2 3.57Å
278T92.3Very high92.5Very high61 Ų6170.3 Ų70.337%0.37436%0.357SS..EExtended strand (participates in β ladder)trans-127.5166170.9-165.90000109.8V289 A291T278-V289 HydrophobicContact CG2-CG2 3.82Å; T278-V289 PolarHBondContact N-O 2.76Å; T278-V289 PolarHBondContact O-N 3.37Å; T278-V289 VanDerWaalsContact O-O 3.06Å; T278-A291 HydrophobicContact CG2-CB 4.41Å
279T91.7Very high92.5Very high79 Ų7964.4 Ų64.449%0.48534%0.339SS..EExtended strand (participates in β ladder)trans-98117.6178.1-54.90000109.6I281 A286 L287T279-I281 HydrophobicContact CG2-CG1 4.16Å; T279-A286 HydrophobicContact CG2-CB 3.75Å; T279-L287 WeakPolarHBondContact CA-O 3.43Å
280K89.6Confident92.5Very high102 Ų10265.4 Ų65.444%0.44335%0.346SS..EExtended strand (participates in β ladder)trans-85.4119.3165.8-172.9175.2-177179.20107.6L287 V289 E294K280-L287 PolarHBondContact N-O 3.09Å; K280-L287 PolarHBondContact O-N 3.04Å; K280-V289 HydrophobicContact CB-CG1 4.08Å; K280-V289 HydrophobicContact CB-CG2 3.79Å; K280-E294 IonicContact NZ-OE1 2.95Å; K280-E294 PolarHBondContact NZ-OE1 2.87Å
281I90.3Very high92.2Very high144 Ų14466.8 Ų66.874%0.73836%0.357SS*.EExtended strand (participates in β ladder)trans-97.3110.8174.7-57.2175.6000107T279T279-I281 HydrophobicContact CG2-CG1 4.16Å
282D89.2Confident91.8Very high97 Ų9767.2 Ų67.252%0.51936%0.359SS..EExtended strand (participates in β ladder)trans-104.9161.3165-166.29.8000108.7N284 Q285D282-N284 CarbonylContact O-C 3.54Å; D282-N284 PolarHBondContact O-N 3.28Å; D282-Q285 PolarHBondContact N-O 3.04Å; D282-Q285 PolarHBondContact O-N 3.39Å; D282-Q285 VanDerWaalsContact O-O 3.13Å
283K80.4Confident91.2Very high199 Ų19969.1 Ų69.187%0.86538%0.379SS*.THydrogen-bonded Turntrans-40.2-18.3-161.8-66.9173.4-177.5175.40118.3
284N85.8Confident90.5Very high166 Ų16675.8 Ų75.889%0.88841%0.41SS*.THydrogen-bonded Turntrans-150.814.3168-92.6-13.3000114.8D282D282-N284 CarbonylContact O-C 3.54Å; D282-N284 PolarHBondContact O-N 3.28Å
285Q89.4Confident89.7Confident126 Ų12678.4 Ų78.459%0.58943%0.428SS*.EExtended strand (participates in β ladder)trans-136.8134-176.4-66.2-175.7-2.600111.4D282 L287D282-Q285 PolarHBondContact N-O 3.04Å; D282-Q285 PolarHBondContact O-N 3.39Å; D282-Q285 VanDerWaalsContact O-O 3.13Å; Q285-L287 HydrophobicContact CB-CG 4.49Å
286A90.3Very high89.3Confident77 Ų7778.5 Ų78.564%0.63643%0.428SS*.EExtended strand (participates in β ladder)trans-102110.2170.100000108.3T279T279-A286 HydrophobicContact CG2-CB 3.75Å
287L90.8Very high88.7Confident88 Ų8877.1 Ų77.146%0.46143%0.425SS..EExtended strand (participates in β ladder)trans-111.6133.9-177.7-69.1163000109.7T279 K280 Q285T279-L287 WeakPolarHBondContact CA-O 3.43Å; K280-L287 PolarHBondContact N-O 3.09Å; K280-L287 PolarHBondContact O-N 3.04Å; Q285-L287 HydrophobicContact CB-CG 4.49Å
288L91.5Very high88.1Confident99 Ų9983.1 Ų83.152%0.51845%0.452SS..EExtended strand (participates in β ladder)trans-77.9123174.2-165.673.7000109.3V117 M277V117-L288 HydrophobicContact CG1-CD2 3.62Å; M277-L288 HydrophobicContact CB-CD1 3.58Å; M277-L288 HydrophobicContact CB-CD2 3.91Å; M277-L288 HydrophobicContact CB-CG 3.64Å; M277-L288 HydrophobicContact CG-CD1 4.44Å; M277-L288 HydrophobicContact CG-CD2 3.87Å; M277-L288 HydrophobicContact CG-CG 3.98Å; M277-L288 HydrophobicContact SD-CG 4.37Å
289V92.7Very high87.8Confident41 Ų4180.9 Ų80.925%0.24844%0.44CS..EExtended strand (participates in β ladder)trans-135.9155.9-178.2-58.90000111M277 T278 K280M277-V289 CarbonylContact C-O 3.58Å; M277-V289 WeakPolarHBondContact CA-O 3.4Å; T278-V289 HydrophobicContact CG2-CG2 3.82Å; T278-V289 PolarHBondContact N-O 2.76Å; T278-V289 PolarHBondContact O-N 3.37Å; T278-V289 VanDerWaalsContact O-O 3.06Å; K280-V289 HydrophobicContact CB-CG1 4.08Å; K280-V289 HydrophobicContact CB-CG2 3.79Å
290P93.9Very high87.7Confident22 Ų2277.1 Ų77.114%0.14342%0.416CS..EExtended strand (participates in β ladder)trans-58.2142.1172.7-25.235.4000112.8C115 M277 L292 G293C115-P290 HydrophobicContact CB-CG 4.15Å; M277-P290 HydrophobicContact SD-CG 4.15Å; P290-L292 VanDerWaalsContact C-N 3.28Å; P290-L292 PolarHBondContact O-N 3.27Å; P290-G293 PolarHBondContact O-N 3.29Å
291A91.9Very high87.9Confident29 Ų2974.5 Ų74.524%0.2441%0.409CS..THydrogen-bonded Turntrans-70.4-15.9-167.400000115.7A236 Q276 T278A236-A291 HydrophobicContact CB-CB 4.03Å; Q276-A291 WeakPolarHBondContact O-CB 3.33Å; Q276-A291 PolarHBondContact O-N 2.9Å; T278-A291 HydrophobicContact CG2-CB 4.41Å
292L90.6Very high88.2Confident9 Ų967.8 Ų67.85%0.04738%0.375CS..THydrogen-bonded Turntrans-92.2-2.1-176.6-65.7-178.9000114.2I235 A236 L253 P290 W296I235-L292 HydrophobicContact CB-CD1 4.47Å; I235-L292 HydrophobicContact CG1-CD1 4.19Å; I235-L292 HydrophobicContact CG2-CD1 3.66Å; A236-L292 HydrophobicContact CB-CD1 4.34Å; A236-L292 HydrophobicContact CB-CD2 3.68Å; A236-L292 HydrophobicContact CB-CG 3.82Å; L253-L292 HydrophobicContact CD1-CD2 3.83Å; L253-L292 HydrophobicContact CD2-CD1 4.24Å; L253-L292 HydrophobicContact CD2-CD2 4.15Å; P290-L292 VanDerWaalsContact C-N 3.28Å; P290-L292 PolarHBondContact O-N 3.27Å; L292-W296 HydrophobicContact CB-CB 3.54Å; L292-W296 HydrophobicContact CB-CD2 4.17Å; L292-W296 HydrophobicContact CB-CG 3.53Å; L292-W296 HydrophobicContact CD1-CD2 3.52Å; L292-W296 VanDerWaalsContact CD1-CE2 3.44Å; L292-W296 HydrophobicContact CD1-CE3 4.07Å; L292-W296 HydrophobicContact CD1-CG 3.74Å; L292-W296 HydrophobicContact CD1-CH2 4.39Å; L292-W296 HydrophobicContact CD1-CZ2 3.91Å; L292-W296 HydrophobicContact CD1-CZ3 4.45Å; L292-W296 HydrophobicContact CG-CD2 4.49Å; L292-W296 HydrophobicContact CG-CG 4.29Å
293G86.4Confident88.6Confident40 Ų4064.2 Ų64.241%0.41235%0.354SS..Hα-helixtrans74.7-174.4174.700000114.9P290 G297P290-G293 PolarHBondContact O-N 3.29Å; G293-G297 PolarHBondContact O-N 3.34Å
294E82.2Confident89.4Confident142 Ų14254.7 Ų54.766%0.66431%0.313SS*.Hα-helixtrans-72.9-30.9-170.7-69.8171.2-155.900113.3K280 W296 G297 H298K280-E294 IonicContact NZ-OE1 2.95Å; K280-E294 PolarHBondContact NZ-OE1 2.87Å; E294-W296 VanDerWaalsContact C-N 3.32Å; E294-W296 PolarHBondContact O-N 2.74Å; E294-G297 WeakPolarHBondContact O-CA 3.33Å; E294-G297 PolarHBondContact O-N 2.77Å; E294-H298 PolarHBondContact O-CD2 3.42Å
295S81.6Confident90Very high55 Ų5548.3 Ų48.339%0.38528%0.278SS..Hα-helixtrans-60.3-43.2175.951.40000111.7G297S295-G297 VanDerWaalsContact C-N 3.27Å; S295-G297 PolarHBondContact O-N 2.68Å
296W88.3Confident90.4Very high2 Ų242.4 Ų42.41%0.00825%0.25CS..Hα-helixtrans-70.4-24.7172.1-175.1-94.5000112.9E113 I235 L253 L256 A257 L273 L292 E294 H298 A299E113-W296 PolarHBondContact OE1-NE1 2.81Å; I235-W296 HydrophobicContact CD1-CH2 4.18Å; I235-W296 HydrophobicContact CG1-CH2 3.61Å; I235-W296 HydrophobicContact CG1-CZ2 3.58Å; I235-W296 HydrophobicContact CG2-CZ2 4.21Å; L253-W296 HydrophobicContact CB-CE3 3.89Å; L253-W296 HydrophobicContact CB-CZ3 3.95Å; L253-W296 HydrophobicContact CD2-CE3 4.07Å; L253-W296 HydrophobicContact CD2-CH2 4.49Å; L253-W296 HydrophobicContact CD2-CZ3 3.8Å; L253-W296 HydrophobicContact CG-CE3 4.47Å; L253-W296 HydrophobicContact CG-CZ3 4.48Å; L253-W296 VanDerWaalsContact O-CZ3 3.31Å; L253-W296 WeakPolarHBondContact O-CZ3 3.45Å; L256-W296 HydrophobicContact CD2-CH2 4.47Å; A257-W296 HydrophobicContact CB-CE3 4.44Å; A257-W296 HydrophobicContact CB-CH2 4.4Å; A257-W296 HydrophobicContact CB-CZ3 3.98Å; L273-W296 HydrophobicContact CD1-CH2 4.33Å; L273-W296 HydrophobicContact CD1-CZ2 3.74Å; L292-W296 HydrophobicContact CB-CB 3.54Å; L292-W296 HydrophobicContact CB-CD2 4.17Å; L292-W296 HydrophobicContact CB-CG 3.53Å; L292-W296 HydrophobicContact CD1-CD2 3.52Å; L292-W296 VanDerWaalsContact CD1-CE2 3.44Å; L292-W296 HydrophobicContact CD1-CE3 4.07Å; L292-W296 HydrophobicContact CD1-CG 3.74Å; L292-W296 HydrophobicContact CD1-CH2 4.39Å; L292-W296 HydrophobicContact CD1-CZ2 3.91Å; L292-W296 HydrophobicContact CD1-CZ3 4.45Å; L292-W296 HydrophobicContact CG-CD2 4.49Å; L292-W296 HydrophobicContact CG-CG 4.29Å; E294-W296 VanDerWaalsContact C-N 3.32Å; E294-W296 PolarHBondContact O-N 2.74Å; W296-H298 PolarHBondContact O-N 2.81Å; W296-A299 HydrophobicContact CD2-CB 4.12Å; W296-A299 HydrophobicContact CE3-CB 4.27Å; W296-A299 VanDerWaalsContact O-CB 3.29Å; W296-A299 WeakPolarHBondContact O-CB 3.26Å; W296-A299 PolarHBondContact O-N 2.84Å
297G80.7Confident90.7Very high10 Ų1041.3 Ų41.310%0.10323%0.232CC..Hα-helixtrans-33.9-42.6166.600000115.4G293 E294 S295 R303 K319G293-G297 PolarHBondContact O-N 3.34Å; E294-G297 WeakPolarHBondContact O-CA 3.33Å; E294-G297 PolarHBondContact O-N 2.77Å; S295-G297 VanDerWaalsContact C-N 3.27Å; S295-G297 PolarHBondContact O-N 2.68Å; G297-R303 VanDerWaalsContact CA-NH2 3.27Å; G297-K319 PolarHBondContact O-NZ 2.85Å
298H80.6Confident90.9Very high158 Ų15842.4 Ų42.473%0.73123%0.23SC*.THydrogen-bonded Turntrans-86.8-19.5-175.2-63-74.4000114.1E294 W296E294-H298 PolarHBondContact O-CD2 3.42Å; W296-H298 PolarHBondContact O-N 2.81Å
299A85.3Confident91Very high13 Ų1342.3 Ų42.311%0.10723%0.227CC..THydrogen-bonded Turntrans-65.4-46.3-175.800000112.9T111 A257 W296T111-A299 PolarHBondContact OG1-O 3.18Å; A257-A299 HydrophobicContact CB-CB 3.45Å; A257-A299 VanDerWaalsContact CB-CB 3.45Å; W296-A299 HydrophobicContact CD2-CB 4.12Å; W296-A299 HydrophobicContact CE3-CB 4.27Å; W296-A299 VanDerWaalsContact O-CB 3.29Å; W296-A299 WeakPolarHBondContact O-CB 3.26Å; W296-A299 PolarHBondContact O-N 2.84Å
300A89.9Confident90.8Very high0 Ų048.2 Ų48.20%025%0.252CS..  trans-83.2122.1-177.200000111.6T111 E113 I302 K319T111-A300 WeakPolarHBondContact OG1-CA 3.34Å; E113-A300 HydrophobicContact CB-CB 3.51Å; A300-I302 VanDerWaalsContact C-N 3.32Å; A300-I302 PolarHBondContact O-N 3.14Å; A300-K319 WeakPolarHBondContact O-CE 3.49Å; A300-K319 PolarHBondContact O-NZ 2.96Å
301T94.4Very high90.5Very high47 Ų4756.4 Ų56.429%0.28829%0.285SS..SBendtrans-57.6-44.5171.8-51.80000112.1K110 T111 P321K110-T301 HydrophobicContact CD-CG2 4.15Å; K110-T301 HydrophobicContact CG-CG2 4.3Å; T111-T301 PolarHBondContact O-N 3.49Å; T111-T301 VanDerWaalsContact O-N 3.16Å; T111-T301 PolarHBondContact OG1-N 2.91Å; T111-T301 PolarHBondContact OG1-OG1 2.94Å; T301-P321 HydrophobicContact CG2-CG 3.88Å
302I97Very high90.6Very high4 Ų456.9 Ų56.92%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-119.4139.6-179.3-62.6172.4000109.4L102 P107 K110 T111 T112 E113 A300 L317 K319L102-I302 HydrophobicContact CD2-CG2 4.03Å; P107-I302 HydrophobicContact CG-CD1 3.34Å; K110-I302 HydrophobicContact CD-CD1 4.33Å; T111-I302 PolarHBondContact O-N 2.89Å; T112-I302 WeakPolarHBondContact CA-O 3.23Å; T112-I302 HydrophobicContact CG2-CB 4.16Å; T112-I302 HydrophobicContact CG2-CG2 3.92Å; E113-I302 PolarHBondContact N-O 2.98Å; A300-I302 VanDerWaalsContact C-N 3.32Å; A300-I302 PolarHBondContact O-N 3.14Å; I302-L317 HydrophobicContact CG2-CD1 3.72Å; I302-K319 CarbonylContact C-O 3.6Å; I302-K319 VanDerWaalsContact CA-O 3.29Å; I302-K319 WeakPolarHBondContact CA-O 3.33Å
303R97.4Very high90.9Very high21 Ų2159.1 Ų59.18%0.07929%0.291CS..EExtended strand (participates in β ladder)trans-130.5122.1174.1-175.6175.9-73.5162.9-4.5111.5E113 G297 Y318 K319E113-R303 CarbonylContact O-C 3.58Å; E113-R303 WeakPolarHBondContact O-CA 3.47Å; E113-R303 IonicContact OE2-CZ 3.15Å; E113-R303 IonicContact OE2-NE 2.74Å; E113-R303 PolarHBondContact OE2-NE 3.38Å; E113-R303 IonicContact OE2-NH2 2.68Å; E113-R303 PolarHBondContact OE2-NH2 3.22Å; G297-R303 VanDerWaalsContact CA-NH2 3.27Å; R303-Y318 PolarHBondContact O-N 3.13Å; R303-K319 HydrophobicContact CB-CB 3.75Å; R303-K319 PolarHBondContact N-O 3.13Å; R303-K319 PolarHBondContact O-N 3.33Å
304L97.9Very high91.4Very high0 Ų058.8 Ų58.80%028%0.278CS..EExtended strand (participates in β ladder)trans-102.9134.5170.2-67.7169.2000109.5L98 L102 T112 E113 V114 C115 F306 T316 L317L98-L304 HydrophobicContact CD1-CD1 4.14Å; L98-L304 HydrophobicContact CD1-CD2 4.06Å; L102-L304 HydrophobicContact CD2-CD1 4.44Å; L102-L304 HydrophobicContact CD2-CD2 4.25Å; T112-L304 HydrophobicContact CG2-CD1 4.29Å; E113-L304 PolarHBondContact O-N 3.39Å; V114-L304 HydrophobicContact CG2-CD1 4.41Å; C115-L304 PolarHBondContact N-O 3.48Å; L304-F306 HydrophobicContact CB-CD1 4.41Å; L304-F306 HydrophobicContact CB-CE1 4.07Å; L304-F306 HydrophobicContact CD1-CE1 4.37Å; L304-T316 CarbonylContact C-O 3.54Å; L304-T316 WeakPolarHBondContact CA-O 3.46Å; L304-L317 HydrophobicContact CD2-CB 4.24Å; L304-L317 HydrophobicContact CD2-CD1 3.92Å
305I97.8Very high92.1Very high32 Ų3252 Ų5216%0.16425%0.246CC..EExtended strand (participates in β ladder)trans-111.9112.7172.6-64.2178.6000108.3C115 M277 T316 Y318C115-I305 HydrophobicContact CB-CG1 4.37Å; C115-I305 CarbonylContact O-C 3.6Å; C115-I305 WeakPolarHBondContact O-CA 3.41Å; M277-I305 HydrophobicContact CE-CB 4.4Å; M277-I305 HydrophobicContact CE-CG1 4.24Å; M277-I305 HydrophobicContact CE-CG2 3.57Å; I305-T316 PolarHBondContact N-O 2.97Å; I305-T316 PolarHBondContact O-N 2.82Å; I305-Y318 HydrophobicContact CD1-CD1 4.33Å; I305-Y318 HydrophobicContact CD1-CD2 3.67Å; I305-Y318 HydrophobicContact CD1-CE2 4.39Å; I305-Y318 HydrophobicContact CD1-CG 3.62Å; I305-Y318 HydrophobicContact CG1-CG 4.38Å
306F98Very high92.9Very high1 Ų150.1 Ų50.10%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-91.4127.7174.3-71.97.4000109.8V114 C115 G116 V120 K122 L125 L304 F314 A315 F330 F337V114-F306 HydrophobicContact CG1-CD1 4.21Å; V114-F306 HydrophobicContact CG1-CD2 3.9Å; V114-F306 HydrophobicContact CG1-CE1 4.11Å; V114-F306 HydrophobicContact CG1-CE2 3.8Å; V114-F306 HydrophobicContact CG1-CG 4.12Å; V114-F306 HydrophobicContact CG1-CZ 3.92Å; C115-F306 PolarHBondContact O-N 3.28Å; G116-F306 VanDerWaalsContact CA-O 3.27Å; G116-F306 WeakPolarHBondContact CA-O 3.27Å; V120-F306 HydrophobicContact CB-CB 4.3Å; V120-F306 HydrophobicContact CG1-CB 3.48Å; V120-F306 VanDerWaalsContact CG1-CB 3.48Å; V120-F306 HydrophobicContact CG1-CD2 4.3Å; V120-F306 HydrophobicContact CG1-CG 4.43Å; V120-F306 HydrophobicContact CG2-CB 3.82Å; K122-F306 HydrophobicContact CG-CD2 4.41Å; L125-F306 HydrophobicContact CB-CE2 4.46Å; L125-F306 HydrophobicContact CD2-CE2 4.17Å; L125-F306 HydrophobicContact CD2-CZ 3.77Å; L304-F306 HydrophobicContact CB-CD1 4.41Å; L304-F306 HydrophobicContact CB-CE1 4.07Å; L304-F306 HydrophobicContact CD1-CE1 4.37Å; F306-F314 WeakPolarHBondContact CA-O 3.26Å; F306-A315 HydrophobicContact CD1-CB 3.66Å; F306-A315 HydrophobicContact CE1-CB 3.44Å; F306-A315 VanDerWaalsContact CE1-CB 3.44Å; F306-A315 HydrophobicContact CZ-CB 4.43Å; F306-F330 HydrophobicContact CD1-CE1 4.1Å; F306-F330 HydrophobicContact CD1-CZ 4.44Å; F306-F330 HydrophobicContact CD2-CE1 4.2Å; F306-F330 AromaticContact CD2-CZ 3.72Å; F306-F330 HydrophobicContact CD2-CZ 3.72Å; F306-F330 HydrophobicContact CE1-CE1 4.27Å; F306-F330 HydrophobicContact CE2-CE1 4.36Å; F306-F330 AromaticContact CE2-CZ 3.93Å; F306-F330 HydrophobicContact CE2-CZ 3.93Å; F306-F330 HydrophobicContact CG-CE1 4.06Å; F306-F330 AromaticContact CG-CZ 3.99Å; F306-F330 HydrophobicContact CG-CZ 3.99Å; F306-F330 HydrophobicContact CZ-CE1 4.37Å; F306-F330 HydrophobicContact CZ-CZ 4.37Å; F306-F337 AromaticContact CE2-CE1 3.75Å; F306-F337 HydrophobicContact CE2-CE1 3.75Å; F306-F337 AromaticContact CE2-CZ 3.78Å; F306-F337 HydrophobicContact CE2-CZ 3.78Å; F306-F337 HydrophobicContact CZ-CE1 4.03Å; F306-F337 HydrophobicContact CZ-CZ 4.46Å
307H96.8Very high93.3Very high54 Ų5450.1 Ų50.125%0.2523%0.232CC..EExtended strand (participates in β ladder)trans-143.7168.1179.66691.1000111.7R313 F314 T316H307-R313 WeakPolarHBondContact O-CA 3.39Å; H307-F314 VanDerWaalsContact CE1-CB 3.49Å; H307-F314 WeakPolarHBondContact CE1-CB 3.28Å; H307-F314 PolarHBondContact N-O 3.06Å; H307-F314 PolarHBondContact O-N 3.21Å; H307-T316 PolarHBondContact NE2-OG1 2.95Å
308W94.9Very high94Very high112 Ų11255.9 Ų55.942%0.42425%0.252SS..EExtended strand (participates in β ladder)trans-105.5133.1174.4-68.596.1000109V120 K311 Q312 R313V120-W308 HydrophobicContact CG2-CG 4.44Å; W308-K311 WeakPolarHBondContact CZ3-O 3.18Å; W308-Q312 WeakPolarHBondContact CA-O 3.42Å; W308-R313 HydrophobicContact CD2-CG 3.99Å; W308-R313 HydrophobicContact CE3-CG 3.65Å; W308-R313 HydrophobicContact CH2-CG 3.64Å; W308-R313 VanDerWaalsContact CH2-CZ 3.4Å; W308-R313 HydrophobicContact CZ2-CG 3.95Å; W308-R313 VanDerWaalsContact CZ2-NE 3.28Å; W308-R313 HydrophobicContact CZ3-CG 3.46Å; W308-R313 VanDerWaalsContact CZ3-CG 3.46Å
309E93.8Very high94.7Very high96 Ų9651.4 Ų51.445%0.44923%0.23SC..EExtended strand (participates in β ladder)trans-133.5123.3170.2179.1167.7-151.500108.1K311 Q312 F314E309-K311 PolarHBondContact O-N 2.87Å; E309-Q312 PolarHBondContact N-O 2.84Å; E309-Q312 PolarHBondContact O-N 3.1Å; E309-Q312 VanDerWaalsContact O-O 3.14Å; E309-F314 HydrophobicContact CB-CD2 3.65Å; E309-F314 HydrophobicContact CB-CE2 3.65Å; E309-F314 HydrophobicContact CG-CE2 4.29Å
310Q87.6Confident95.2Very high165 Ų16552.1 Ų52.177%0.77124%0.235SC*.THydrogen-bonded Turntrans48.239.2178.8-56-177.34.800114.7Q312Q310-Q312 VanDerWaalsContact C-N 3.26Å; Q310-Q312 PolarHBondContact O-N 3.28Å
311K87.9Confident95.3Very high195 Ų19556.7 Ų56.785%0.84826%0.264SS*.THydrogen-bonded Turntrans72.24.2-176.7-51.5176.5178176.80115.9W308 E309W308-K311 WeakPolarHBondContact CZ3-O 3.18Å; E309-K311 PolarHBondContact O-N 2.87Å
312Q93.5Very high95.2Very high38 Ų3858.3 Ų58.318%0.17828%0.277CS..EExtended strand (participates in β ladder)trans-100.5149.4170.2-175.9166.71800109.8W308 E309 Q310 F314 P329 A341 T343W308-Q312 WeakPolarHBondContact CA-O 3.42Å; E309-Q312 PolarHBondContact N-O 2.84Å; E309-Q312 PolarHBondContact O-N 3.1Å; E309-Q312 VanDerWaalsContact O-O 3.14Å; Q310-Q312 VanDerWaalsContact C-N 3.26Å; Q310-Q312 PolarHBondContact O-N 3.28Å; Q312-F314 HydrophobicContact CB-CD2 4.45Å; Q312-F314 HydrophobicContact CB-CE2 3.76Å; Q312-F314 HydrophobicContact CB-CZ 4.43Å; Q312-F314 HydrophobicContact CG-CD2 4.41Å; Q312-F314 HydrophobicContact CG-CE2 3.81Å; Q312-F314 HydrophobicContact CG-CZ 4.16Å; Q312-P329 HydrophobicContact CG-CB 4.3Å; Q312-P329 VanDerWaalsContact NE2-CB 3.33Å; Q312-A341 PolarHBondContact NE2-O 2.82Å; Q312-A341 VanDerWaalsContact NE2-O 3.14Å; Q312-T343 PolarHBondContact OE1-OG1 2.64Å
313R96.1Very high95.1Very high57 Ų5761.4 Ų61.422%0.21529%0.292CS..EExtended strand (participates in β ladder)trans-91.6138.6176.7-62.4177.4172.8117.9-4.3109.5G119 V120 H307 W308 P329 F330G119-R313 PolarHBondContact O-NH2 3.17Å; V120-R313 VanDerWaalsContact O-CD 3.26Å; V120-R313 WeakPolarHBondContact O-CD 3.38Å; V120-R313 PolarHBondContact O-NE 2.92Å; H307-R313 WeakPolarHBondContact O-CA 3.39Å; W308-R313 HydrophobicContact CD2-CG 3.99Å; W308-R313 HydrophobicContact CE3-CG 3.65Å; W308-R313 HydrophobicContact CH2-CG 3.64Å; W308-R313 VanDerWaalsContact CH2-CZ 3.4Å; W308-R313 HydrophobicContact CZ2-CG 3.95Å; W308-R313 VanDerWaalsContact CZ2-NE 3.28Å; W308-R313 HydrophobicContact CZ3-CG 3.46Å; W308-R313 VanDerWaalsContact CZ3-CG 3.46Å; R313-P329 WeakPolarHBondContact O-CA 3.49Å; R313-F330 HydrophobicContact CB-CD1 4.22Å; R313-F330 HydrophobicContact CB-CD2 4.08Å; R313-F330 HydrophobicContact CB-CE1 3.85Å; R313-F330 HydrophobicContact CB-CE2 3.67Å; R313-F330 HydrophobicContact CB-CG 4.34Å; R313-F330 HydrophobicContact CB-CZ 3.56Å; R313-F330 HydrophobicContact CG-CE2 4.26Å; R313-F330 HydrophobicContact CG-CZ 4.33Å; R313-F330 PolarHBondContact O-N 2.88Å
314F97.3Very high94.9Very high33 Ų3368.8 Ų68.815%0.14532%0.324CS..EExtended strand (participates in β ladder)trans-128.7144.4177.8-72.2-94.5000110.7F306 H307 E309 Q312 T327 I328 P329 F330F306-F314 WeakPolarHBondContact CA-O 3.26Å; H307-F314 VanDerWaalsContact CE1-CB 3.49Å; H307-F314 WeakPolarHBondContact CE1-CB 3.28Å; H307-F314 PolarHBondContact N-O 3.06Å; H307-F314 PolarHBondContact O-N 3.21Å; E309-F314 HydrophobicContact CB-CD2 3.65Å; E309-F314 HydrophobicContact CB-CE2 3.65Å; E309-F314 HydrophobicContact CG-CE2 4.29Å; Q312-F314 HydrophobicContact CB-CD2 4.45Å; Q312-F314 HydrophobicContact CB-CE2 3.76Å; Q312-F314 HydrophobicContact CB-CZ 4.43Å; Q312-F314 HydrophobicContact CG-CD2 4.41Å; Q312-F314 HydrophobicContact CG-CE2 3.81Å; Q312-F314 HydrophobicContact CG-CZ 4.16Å; F314-T327 HydrophobicContact CB-CG2 3.98Å; F314-T327 HydrophobicContact CD1-CG2 3.83Å; F314-T327 HydrophobicContact CG-CG2 4.29Å; F314-I328 CarbonylContact C-O 3.57Å; F314-I328 VanDerWaalsContact CA-O 3.26Å; F314-I328 WeakPolarHBondContact CA-O 3.37Å; F314-P329 HydrophobicContact CD1-CB 3.96Å; F314-P329 HydrophobicContact CE1-CB 3.66Å; F314-P329 HydrophobicContact CE1-CG 4.34Å; F314-P329 HydrophobicContact CZ-CB 4.14Å; F314-F330 VanDerWaalsContact C-CE1 3.42Å; F314-F330 WeakPolarHBondContact O-CE1 3.42Å
315A97.8Very high94.9Very high0 Ų074.4 Ų74.40%035%0.351CS..EExtended strand (participates in β ladder)trans-113.7120.8171.700000108.5L98 F306 T327 I328 F330L98-A315 HydrophobicContact CD1-CB 4.37Å; F306-A315 HydrophobicContact CD1-CB 3.66Å; F306-A315 HydrophobicContact CE1-CB 3.44Å; F306-A315 VanDerWaalsContact CE1-CB 3.44Å; F306-A315 HydrophobicContact CZ-CB 4.43Å; A315-T327 WeakPolarHBondContact O-CA 3.4Å; A315-I328 HydrophobicContact CB-CD1 3.9Å; A315-I328 HydrophobicContact CB-CG1 4.26Å; A315-I328 PolarHBondContact N-O 3.37Å; A315-I328 PolarHBondContact O-N 3.2Å; A315-F330 HydrophobicContact CB-CD1 3.77Å; A315-F330 HydrophobicContact CB-CE1 3.85Å
316T97.8Very high94.8Very high14 Ų1474.9 Ų74.99%0.08636%0.357CS..EExtended strand (participates in β ladder)trans-104.7122.2174.1-59.50000109.3L304 I305 H307 Y318 E325 S326 T327L304-T316 CarbonylContact C-O 3.54Å; L304-T316 WeakPolarHBondContact CA-O 3.46Å; I305-T316 PolarHBondContact N-O 2.97Å; I305-T316 PolarHBondContact O-N 2.82Å; H307-T316 PolarHBondContact NE2-OG1 2.95Å; T316-Y318 PolarHBondContact O-N 3.35Å; T316-Y318 VanDerWaalsContact O-N 3.1Å; T316-E325 HydrophobicContact CG2-CG 4.46Å; T316-S326 CarbonylContact C-O 3.55Å; T316-S326 WeakPolarHBondContact CA-O 3.4Å; T316-T327 WeakPolarHBondContact CB-OG1 3.19Å; T316-T327 WeakPolarHBondContact CG2-OG1 3.23Å; T316-T327 WeakPolarHBondContact OG1-CG2 3.38Å; T316-T327 PolarHBondContact OG1-OG1 3.16Å
317L97.9Very high94.8Very high2 Ų278.2 Ų78.21%0.0138%0.377CS..EExtended strand (participates in β ladder)trans-76.393.3169-179.161.5000109.6I101 L102 I302 L304 Q323 E325 S326I101-L317 HydrophobicContact CD1-CB 4.12Å; I101-L317 WeakPolarHBondContact O-CD2 3.33Å; L102-L317 HydrophobicContact CD2-CD1 4.18Å; I302-L317 HydrophobicContact CG2-CD1 3.72Å; L304-L317 HydrophobicContact CD2-CB 4.24Å; L304-L317 HydrophobicContact CD2-CD1 3.92Å; L317-Q323 HydrophobicContact CD2-CB 3.57Å; L317-Q323 HydrophobicContact CD2-CG 4.43Å; L317-E325 VanDerWaalsContact O-CA 3.28Å; L317-E325 WeakPolarHBondContact O-CA 3.39Å; L317-E325 WeakPolarHBondContact O-CG 3.41Å; L317-S326 PolarHBondContact N-O 2.88Å
318Y95.4Very high94.8Very high131 Ų13176.4 Ų76.451%0.51437%0.369SS..EExtended strand (participates in β ladder)trans-80.9-32.7-174.2-175.1-97.3000113R303 I305 T316R303-Y318 PolarHBondContact O-N 3.13Å; I305-Y318 HydrophobicContact CD1-CD1 4.33Å; I305-Y318 HydrophobicContact CD1-CD2 3.67Å; I305-Y318 HydrophobicContact CD1-CE2 4.39Å; I305-Y318 HydrophobicContact CD1-CG 3.62Å; I305-Y318 HydrophobicContact CG1-CG 4.38Å; T316-Y318 PolarHBondContact O-N 3.35Å; T316-Y318 VanDerWaalsContact O-N 3.1Å
319K94.9Very high94.9Very high64 Ų6472 Ų7228%0.27836%0.355SS..EExtended strand (participates in β ladder)trans-139.7126.9-179.4-173.6-173177.2-169.30109.8G297 A300 I302 R303G297-K319 PolarHBondContact O-NZ 2.85Å; A300-K319 WeakPolarHBondContact O-CE 3.49Å; A300-K319 PolarHBondContact O-NZ 2.96Å; I302-K319 CarbonylContact C-O 3.6Å; I302-K319 VanDerWaalsContact CA-O 3.29Å; I302-K319 WeakPolarHBondContact CA-O 3.33Å; R303-K319 HydrophobicContact CB-CB 3.75Å; R303-K319 PolarHBondContact N-O 3.13Å; R303-K319 PolarHBondContact O-N 3.33Å
320S95.6Very high95Very high29 Ų2967.5 Ų67.520%0.20333%0.334CS..  trans-154.7142.3168.3179.50000109.6S322 Q323S320-S322 VanDerWaalsContact C-N 3.34Å; S320-S322 PolarHBondContact OG-N 3.09Å; S320-Q323 WeakPolarHBondContact OG-CB 3.39Å; S320-Q323 PolarHBondContact OG-N 2.62Å; S320-Q323 VanDerWaalsContact OG-N 3.11Å
321P92.6Very high95.4Very high95 Ų9563.8 Ų63.862%0.61732%0.317SS*.SBendtrans-74.9-22.917430.4-35.3000113.2T301T301-P321 HydrophobicContact CG2-CG 3.88Å
322S90.3Very high95.8Very high81 Ų8156.2 Ų56.257%0.56629%0.285SS*.SBendtrans-117.9-22.2-171.555.50000114.2S320S320-S322 VanDerWaalsContact C-N 3.34Å; S320-S322 PolarHBondContact OG-N 3.09Å
323Q95.1Very high96Very high70 Ų7056 Ų5633%0.32729%0.287SS..SBendtrans-111.9147.8-173.4-59.1-62.4-11.800111.6I101 G103 L317 S320I101-Q323 WeakPolarHBondContact O-CB 3.27Å; I101-Q323 VanDerWaalsContact O-CG 3.29Å; I101-Q323 WeakPolarHBondContact O-CG 3.5Å; G103-Q323 VanDerWaalsContact CA-NE2 3.31Å; L317-Q323 HydrophobicContact CD2-CB 3.57Å; L317-Q323 HydrophobicContact CD2-CG 4.43Å; S320-Q323 WeakPolarHBondContact OG-CB 3.39Å; S320-Q323 PolarHBondContact OG-N 2.62Å; S320-Q323 VanDerWaalsContact OG-N 3.11Å
324K94.8Very high96Very high175 Ų17558.1 Ų58.176%0.76131%0.308SS*.  trans-75.7142.9176.3-172.3-175.5174.5-174.80110.6S326K324-S326 PolarHBondContact O-N 2.79Å; K324-S326 PolarHBondContact O-OG 2.86Å; K324-S326 VanDerWaalsContact O-OG 3.06Å
325E96.8Very high95.9Very high118 Ų11861.8 Ų61.855%0.55133%0.325SS*.  trans-52.5124.9169.4177.2170-169.500111T316 L317T316-E325 HydrophobicContact CG2-CG 4.46Å; L317-E325 VanDerWaalsContact O-CA 3.28Å; L317-E325 WeakPolarHBondContact O-CA 3.39Å; L317-E325 WeakPolarHBondContact O-CG 3.41Å
326S96.3Very high95.8Very high42 Ų4261.8 Ų61.829%0.29433%0.326SS..  trans-150147.5-173.4-61.70000109.4T316 L317 K324T316-S326 CarbonylContact C-O 3.55Å; T316-S326 WeakPolarHBondContact CA-O 3.4Å; L317-S326 PolarHBondContact N-O 2.88Å; K324-S326 PolarHBondContact O-N 2.79Å; K324-S326 PolarHBondContact O-OG 2.86Å; K324-S326 VanDerWaalsContact O-OG 3.06Å
327T97.1Very high95.6Very high71 Ų7161.1 Ų61.144%0.43632%0.321SS..EExtended strand (participates in β ladder)trans-120.8128.1177-62.70000109.2F314 A315 T316F314-T327 HydrophobicContact CB-CG2 3.98Å; F314-T327 HydrophobicContact CD1-CG2 3.83Å; F314-T327 HydrophobicContact CG-CG2 4.29Å; A315-T327 WeakPolarHBondContact O-CA 3.4Å; T316-T327 WeakPolarHBondContact CB-OG1 3.19Å; T316-T327 WeakPolarHBondContact CG2-OG1 3.23Å; T316-T327 WeakPolarHBondContact OG1-CG2 3.38Å; T316-T327 PolarHBondContact OG1-OG1 3.16Å
328I96.6Very high95.5Very high17 Ų1762.8 Ų62.89%0.08733%0.328CS..EExtended strand (participates in β ladder)trans-125.8144.7-179.759.188.2000110.7A97 L98 I101 F314 A315 F330A97-I328 HydrophobicContact CB-CB 3.93Å; A97-I328 HydrophobicContact CB-CD1 4.2Å; A97-I328 HydrophobicContact CB-CG1 4.28Å; A97-I328 HydrophobicContact CB-CG2 4.12Å; L98-I328 HydrophobicContact CB-CD1 3.99Å; I101-I328 HydrophobicContact CD1-CG1 3.58Å; I101-I328 HydrophobicContact CD1-CG2 4.29Å; I101-I328 HydrophobicContact CG1-CG1 4.34Å; I101-I328 HydrophobicContact CG2-CG2 3.67Å; F314-I328 CarbonylContact C-O 3.57Å; F314-I328 VanDerWaalsContact CA-O 3.26Å; F314-I328 WeakPolarHBondContact CA-O 3.37Å; A315-I328 HydrophobicContact CB-CD1 3.9Å; A315-I328 HydrophobicContact CB-CG1 4.26Å; A315-I328 PolarHBondContact N-O 3.37Å; A315-I328 PolarHBondContact O-N 3.2Å; I328-F330 HydrophobicContact CD1-CB 4.3Å
329P96.8Very high95.5Very high18 Ų1859.4 Ų59.412%0.11732%0.318CS..EExtended strand (participates in β ladder)trans-78.2145.7169.932.7-33000110.1Q312 R313 F314 A340 V342Q312-P329 HydrophobicContact CG-CB 4.3Å; Q312-P329 VanDerWaalsContact NE2-CB 3.33Å; R313-P329 WeakPolarHBondContact O-CA 3.49Å; F314-P329 HydrophobicContact CD1-CB 3.96Å; F314-P329 HydrophobicContact CE1-CB 3.66Å; F314-P329 HydrophobicContact CE1-CG 4.34Å; F314-P329 HydrophobicContact CZ-CB 4.14Å; P329-A340 HydrophobicContact CB-CB 4.08Å; P329-V342 HydrophobicContact CG-CG2 4.12Å
330F96.6Very high95.3Very high2 Ų257.1 Ų57.11%0.00931%0.311CS..EExtended strand (participates in β ladder)trans-140.4163.4170.771.1-92.7000110.5F306 R313 F314 A315 I328 I332 F337F306-F330 HydrophobicContact CD1-CE1 4.1Å; F306-F330 HydrophobicContact CD1-CZ 4.44Å; F306-F330 HydrophobicContact CD2-CE1 4.2Å; F306-F330 AromaticContact CD2-CZ 3.72Å; F306-F330 HydrophobicContact CD2-CZ 3.72Å; F306-F330 HydrophobicContact CE1-CE1 4.27Å; F306-F330 HydrophobicContact CE2-CE1 4.36Å; F306-F330 AromaticContact CE2-CZ 3.93Å; F306-F330 HydrophobicContact CE2-CZ 3.93Å; F306-F330 HydrophobicContact CG-CE1 4.06Å; F306-F330 AromaticContact CG-CZ 3.99Å; F306-F330 HydrophobicContact CG-CZ 3.99Å; F306-F330 HydrophobicContact CZ-CE1 4.37Å; F306-F330 HydrophobicContact CZ-CZ 4.37Å; R313-F330 HydrophobicContact CB-CD1 4.22Å; R313-F330 HydrophobicContact CB-CD2 4.08Å; R313-F330 HydrophobicContact CB-CE1 3.85Å; R313-F330 HydrophobicContact CB-CE2 3.67Å; R313-F330 HydrophobicContact CB-CG 4.34Å; R313-F330 HydrophobicContact CB-CZ 3.56Å; R313-F330 HydrophobicContact CG-CE2 4.26Å; R313-F330 HydrophobicContact CG-CZ 4.33Å; R313-F330 PolarHBondContact O-N 2.88Å; F314-F330 VanDerWaalsContact C-CE1 3.42Å; F314-F330 WeakPolarHBondContact O-CE1 3.42Å; A315-F330 HydrophobicContact CB-CD1 3.77Å; A315-F330 HydrophobicContact CB-CE1 3.85Å; I328-F330 HydrophobicContact CD1-CB 4.3Å; F330-I332 HydrophobicContact CD2-CG1 4.36Å; F330-I332 HydrophobicContact CE2-CD1 4.23Å; F330-I332 HydrophobicContact CE2-CG1 4.13Å; F330-F337 AromaticContact CD2-CD1 3.66Å; F330-F337 HydrophobicContact CD2-CD1 3.66Å; F330-F337 AromaticContact CD2-CE1 3.31Å; F330-F337 HydrophobicContact CD2-CE1 3.31Å; F330-F337 HydrophobicContact CD2-CZ 4.13Å; F330-F337 HydrophobicContact CE2-CD1 4.03Å; F330-F337 AromaticContact CE2-CE1 3.19Å; F330-F337 HydrophobicContact CE2-CE1 3.19Å; F330-F337 AromaticContact CE2-CZ 3.64Å; F330-F337 HydrophobicContact CE2-CZ 3.64Å; F330-F337 HydrophobicContact CG-CD1 4.28Å; F330-F337 HydrophobicContact CG-CE1 4.07Å; F330-F337 AromaticContact CZ-CE1 3.86Å; F330-F337 HydrophobicContact CZ-CE1 3.86Å; F330-F337 HydrophobicContact CZ-CZ 4.31Å
331Q96.8Very high94.7Very high87 Ų8759.6 Ų59.641%0.40733%0.334SS..EExtended strand (participates in β ladder)trans-133.4158173.559.6178.1-400111.1T333 F337 R338 D339 A340Q331-T333 HydrophobicContact CG-CG2 4.14Å; Q331-F337 WeakPolarHBondContact O-CA 3.49Å; Q331-R338 HydrophobicContact CG-CB 4.3Å; Q331-R338 PolarHBondContact N-O 2.9Å; Q331-R338 PolarHBondContact O-N 2.77Å; Q331-D339 WeakPolarHBondContact CG-O 3.39Å; Q331-D339 PolarHBondContact NE2-O 2.84Å; Q331-A340 HydrophobicContact CB-CB 4.05Å; Q331-A340 HydrophobicContact CG-CB 4.08Å
332I96.6Very high93.5Very high36 Ų3660.7 Ų60.719%0.18534%0.338CS..EExtended strand (participates in β ladder)trans-116.4117.7176.5-56.5174.5000106.7Q124 F330 F337Q124-I332 HydrophobicContact CB-CD1 3.96Å; Q124-I332 HydrophobicContact CB-CG2 4.36Å; Q124-I332 HydrophobicContact CG-CD1 4.18Å; Q124-I332 HydrophobicContact CG-CG2 4.32Å; F330-I332 HydrophobicContact CD2-CG1 4.36Å; F330-I332 HydrophobicContact CE2-CD1 4.23Å; F330-I332 HydrophobicContact CE2-CG1 4.13Å; I332-F337 HydrophobicContact CD1-CE2 3.71Å; I332-F337 HydrophobicContact CD1-CZ 3.77Å; I332-F337 HydrophobicContact CG1-CD2 4.16Å; I332-F337 HydrophobicContact CG1-CE1 4.47Å; I332-F337 HydrophobicContact CG1-CE2 3.81Å; I332-F337 HydrophobicContact CG1-CZ 3.99Å
333T96.8Very high91.9Very high35 Ų3561.1 Ų61.122%0.21534%0.337CS..EExtended strand (participates in β ladder)trans-112.2173.3-178.171.50000109.5R159 Q331 Q335 G336 R338R159-T333 PolarHBondContact NH2-O 3.2Å; Q331-T333 HydrophobicContact CG-CG2 4.14Å; T333-Q335 PolarHBondContact O-N 2.89Å; T333-Q335 VanDerWaalsContact O-N 3.15Å; T333-Q335 PolarHBondContact OG1-N 3.2Å; T333-Q335 VanDerWaalsContact OG1-N 3.13Å; T333-G336 PolarHBondContact N-O 3.42Å; T333-G336 PolarHBondContact O-N 2.78Å; T333-G336 PolarHBondContact OG1-N 2.8Å; T333-G336 PolarHBondContact OG1-O 3.42Å; T333-R338 HydrophobicContact CG2-CB 4.36Å; T333-R338 HydrophobicContact CG2-CG 4.31Å
334P96.2Very high89.3Confident101 Ų10162.7 Ų62.766%0.65636%0.362SS*.THydrogen-bonded Turntrans-52.9-31.3168-28.437.4000113R159 T162 G336R159-P334 PolarHBondContact NH1-O 2.84Å; T162-P334 VanDerWaalsContact CG2-O 3.25Å; T162-P334 WeakPolarHBondContact CG2-O 3.18Å; P334-G336 VanDerWaalsContact C-N 3.31Å; P334-G336 PolarHBondContact O-N 3Å
335Q95.6Very high86.7Confident109 Ų10958 Ų5851%0.50935%0.351SS..THydrogen-bonded Turntrans-82.5-3.8177.9-60179.712.900114.1A166 T333 R338A166-Q335 HydrophobicContact CB-CB 3.85Å; A166-Q335 HydrophobicContact CB-CG 4.06Å; T333-Q335 PolarHBondContact O-N 2.89Å; T333-Q335 VanDerWaalsContact O-N 3.15Å; T333-Q335 PolarHBondContact OG1-N 3.2Å; T333-Q335 VanDerWaalsContact OG1-N 3.13Å; Q335-R338 VanDerWaalsContact O-CZ 3.23Å; Q335-R338 PolarHBondContact O-NH1 3.43Å; Q335-R338 VanDerWaalsContact O-NH1 3.13Å; Q335-R338 PolarHBondContact O-NH2 3.47Å
336G95.2Very high83.9Confident1 Ų158.1 Ų58.11%0.0137%0.366CS..EExtended strand (participates in β ladder)trans112.3-162.2179.900000114.1Q128 T333 P334Q128-G336 VanDerWaalsContact OE1-CA 3.29Å; T333-G336 PolarHBondContact N-O 3.42Å; T333-G336 PolarHBondContact O-N 2.78Å; T333-G336 PolarHBondContact OG1-N 2.8Å; T333-G336 PolarHBondContact OG1-O 3.42Å; P334-G336 VanDerWaalsContact C-N 3.31Å; P334-G336 PolarHBondContact O-N 3Å
337F94.1Very high80.9Confident0 Ų061.5 Ų61.50%039%0.389CS..EExtended strand (participates in β ladder)trans-58.8124.8169.6-89.8-105.9000110.5G121 Q124 L125 F306 F330 Q331 I332G121-F337 WeakPolarHBondContact O-CE2 3.2Å; G121-F337 VanDerWaalsContact O-CZ 3.25Å; G121-F337 WeakPolarHBondContact O-CZ 3.41Å; Q124-F337 HydrophobicContact CB-CD2 4.35Å; Q124-F337 HydrophobicContact CB-CE2 3.61Å; L125-F337 VanDerWaalsContact CA-CE2 3.45Å; L125-F337 HydrophobicContact CB-CD2 4.08Å; L125-F337 HydrophobicContact CB-CE1 4.22Å; L125-F337 HydrophobicContact CB-CE2 3.6Å; L125-F337 HydrophobicContact CB-CZ 3.68Å; L125-F337 HydrophobicContact CD1-CD1 4.3Å; L125-F337 HydrophobicContact CD1-CD2 4.34Å; L125-F337 HydrophobicContact CD1-CG 4.2Å; F306-F337 AromaticContact CE2-CE1 3.75Å; F306-F337 HydrophobicContact CE2-CE1 3.75Å; F306-F337 AromaticContact CE2-CZ 3.78Å; F306-F337 HydrophobicContact CE2-CZ 3.78Å; F306-F337 HydrophobicContact CZ-CE1 4.03Å; F306-F337 HydrophobicContact CZ-CZ 4.46Å; F330-F337 AromaticContact CD2-CD1 3.66Å; F330-F337 HydrophobicContact CD2-CD1 3.66Å; F330-F337 AromaticContact CD2-CE1 3.31Å; F330-F337 HydrophobicContact CD2-CE1 3.31Å; F330-F337 HydrophobicContact CD2-CZ 4.13Å; F330-F337 HydrophobicContact CE2-CD1 4.03Å; F330-F337 AromaticContact CE2-CE1 3.19Å; F330-F337 HydrophobicContact CE2-CE1 3.19Å; F330-F337 AromaticContact CE2-CZ 3.64Å; F330-F337 HydrophobicContact CE2-CZ 3.64Å; F330-F337 HydrophobicContact CG-CD1 4.28Å; F330-F337 HydrophobicContact CG-CE1 4.07Å; F330-F337 AromaticContact CZ-CE1 3.86Å; F330-F337 HydrophobicContact CZ-CE1 3.86Å; F330-F337 HydrophobicContact CZ-CZ 4.31Å; Q331-F337 WeakPolarHBondContact O-CA 3.49Å; I332-F337 HydrophobicContact CD1-CE2 3.71Å; I332-F337 HydrophobicContact CD1-CZ 3.77Å; I332-F337 HydrophobicContact CG1-CD2 4.16Å; I332-F337 HydrophobicContact CG1-CE1 4.47Å; I332-F337 HydrophobicContact CG1-CE2 3.81Å; I332-F337 HydrophobicContact CG1-CZ 3.99Å
338R96Very high77.9Confident37 Ų3767 Ų6714%0.1441%0.41CS..EExtended strand (participates in β ladder)trans-141.9163.3178.7-64.8-63.3-178.9-89.65.4110F94 Q331 T333 Q335 A340F94-R338 VanDerWaalsContact CB-NH1 3.26Å; F94-R338 WeakPolarHBondContact O-CD 3.48Å; Q331-R338 HydrophobicContact CG-CB 4.3Å; Q331-R338 PolarHBondContact N-O 2.9Å; Q331-R338 PolarHBondContact O-N 2.77Å; T333-R338 HydrophobicContact CG2-CB 4.36Å; T333-R338 HydrophobicContact CG2-CG 4.31Å; Q335-R338 VanDerWaalsContact O-CZ 3.23Å; Q335-R338 PolarHBondContact O-NH1 3.43Å; Q335-R338 VanDerWaalsContact O-NH1 3.13Å; Q335-R338 PolarHBondContact O-NH2 3.47Å; R338-A340 PolarHBondContact O-N 2.85Å
339D94.3Very high74.9Confident60 Ų6073.1 Ų73.132%0.32145%0.448SS..EExtended strand (participates in β ladder)trans-57.5134.8170-65.1-52.5000110.6C95 S96 A97 Q331C95-D339 PolarHBondContact SG-OD1 3.42Å; S96-D339 WeakPolarHBondContact CB-OD2 3.42Å; S96-D339 PolarHBondContact N-OD1 2.9Å; S96-D339 PolarHBondContact N-OD2 3.37Å; S96-D339 PolarHBondContact OG-OD1 3.3Å; S96-D339 PolarHBondContact OG-OD2 2.75Å; A97-D339 PolarHBondContact N-OD1 3.05Å; Q331-D339 WeakPolarHBondContact CG-O 3.39Å; Q331-D339 PolarHBondContact NE2-O 2.84Å
340A92.2Very high71.9Confident15 Ų1582 Ų8212%0.12449%0.488CS..PPolyproline II helixtrans-96144.4169.800000109.5P329 Q331 R338 V342P329-A340 HydrophobicContact CB-CB 4.08Å; Q331-A340 HydrophobicContact CB-CB 4.05Å; Q331-A340 HydrophobicContact CG-CB 4.08Å; R338-A340 PolarHBondContact O-N 2.85Å; A340-V342 PolarHBondContact O-N 2.95Å
341A81.1Confident68.6Low82 Ų8285.7 Ų85.768%0.67853%0.527SS*.PPolyproline II helixtrans-61130.6170.900000109.4Q312 T343Q312-A341 PolarHBondContact NE2-O 2.82Å; Q312-A341 VanDerWaalsContact NE2-O 3.14Å; A341-T343 PolarHBondContact O-N 2.92Å; A341-T343 VanDerWaalsContact O-N 3.13Å
342V68.5Low65.4Low117 Ų11786.4 Ų86.471%0.70954%0.541SS*.  trans-71.4105.9171.6-1770000107P329 A340 A344P329-V342 HydrophobicContact CG-CG2 4.12Å; A340-V342 PolarHBondContact O-N 2.95Å; V342-A344 PolarHBondContact O-N 2.93Å
343T56.2Low62.4Low90 Ų9089.4 Ų89.455%0.55257%0.566SS**  trans-67.8113.2166.338.40000107.6Q312 A341 S345Q312-T343 PolarHBondContact OE1-OG1 2.64Å; A341-T343 PolarHBondContact O-N 2.92Å; A341-T343 VanDerWaalsContact O-N 3.13Å; T343-S345 VanDerWaalsContact C-N 3.25Å; T343-S345 PolarHBondContact O-N 2.84Å
344A40Very low59.2Low103 Ų10395 Ų9585%0.85159%0.594SS**SBendtrans-66.382.5176.900000110.3V342V342-A344 PolarHBondContact O-N 2.93Å
345S40.4Very low56.1Low76 Ų7697.3 Ų97.353%0.53160%0.6SS.*  trans-154.451.4174.864.70000112.9T343T343-S345 VanDerWaalsContact C-N 3.25Å; T343-S345 PolarHBondContact O-N 2.84Å
346S38.1Very low53.1Low121 Ų121103.9 Ų103.985%0.84662%0.62SS**  trans-167.844.9162.361.20000113.6
347S34Very low50.1Low114 Ų114113.1 Ų113.180%0.79766%0.66SS**  trans-120.757.817064.30000111.1
348Q34Very low47.2Very low186 Ų186125.2 Ų125.287%0.86971%0.706SS**  trans-15078.5160-72.5-161.2-1.100109.9
349T33.3Very low44.1Very low145 Ų145128.9 Ų128.989%0.8974%0.737SS**  trans-155.547.8152.5-11.40000111.1
350E33Very low41.2Very low205 Ų205136.5 Ų136.596%0.95876%0.762SS**  trans-117.4102.6157.2-78.9-166.8161.800107.9
351G28.4Very low38.4Very low79 Ų79143.5 Ų143.581%0.81479%0.792SS**  trans17865.1-176.600000112.9
352S30.2Very low36.6Very low102 Ų102144.2 Ų144.271%0.71379%0.789SS**  trans-172.289.4132.9-164.90000109.9N354S352-N354 PolarHBondContact O-N 3.21Å
353S32.8Very low35Very low99 Ų99146.4 Ų146.469%0.69279%0.792SS**  trans-65.6107.4161.653.10000108.9L355S353-L355 VanDerWaalsContact C-N 3.29Å; S353-L355 PolarHBondContact O-N 2.89Å
354N29.5Very low34Very low153 Ų153150.3 Ų150.382%0.81880%0.804SS**  trans-66.287.7167-89.3-36.3000109.9S352 R356S352-N354 PolarHBondContact O-N 3.21Å; N354-R356 PolarHBondContact O-N 3.27Å; N354-R356 VanDerWaalsContact O-N 3.08Å
355L32.2Very low34Very low149 Ų149149 Ų14978%0.7880%0.801SS**  trans-67.896.5158.9-90.6106.2000108.5S353 K357S353-L355 VanDerWaalsContact C-N 3.29Å; S353-L355 PolarHBondContact O-N 2.89Å; L355-K357 VanDerWaalsContact C-N 3.28Å; L355-K357 PolarHBondContact O-N 3.08Å
356R31.4Very low33.8Very low247 Ų247155.4 Ų155.493%0.93284%0.843SS**  trans-67.990.8160.5-82.5-176172.6-179.5-1.8108.8N354 R358N354-R356 PolarHBondContact O-N 3.27Å; N354-R356 VanDerWaalsContact O-N 3.08Å; R356-R358 PolarHBondContact O-N 2.93Å
357K32.7Very low33.6Very low195 Ų195157.1 Ų157.185%0.84884%0.843SS**  trans-60114.7160.3-109.8175.8176.2176.40108.2L355L355-K357 VanDerWaalsContact C-N 3.28Å; L355-K357 PolarHBondContact O-N 3.08Å
358R32Very low33.6Very low254 Ų254159.4 Ų159.496%0.95885%0.845SS**  trans-70.8122.8156.2-91.3178.1170174.1-2.7107.6R356R356-R358 PolarHBondContact O-N 2.93Å
359S31.7Very low33.5Very low115 Ų115157.9 Ų157.980%0.80484%0.844SS**  trans-132.7127.2157.246.60000108.1
360R33.2Very low33.5Very low220 Ų220158.6 Ų158.683%0.8384%0.841SS**  trans-81.8154179.6-90.3-179.5173.1170-4.6111.2
361E33Very low33.6Very low161 Ų161155.8 Ų155.875%0.75283%0.834SS**  trans74.7158.2147.3-77.3172.3-145.900121.2
362P44.5Very low33.9Very low97 Ų97160.9 Ų160.963%0.6384%0.835SS**  cis-138.7-172.1-30.338.1-19.2000113.9
363E34Very low34.2Very low163 Ų163165.1 Ų165.176%0.76284%0.844SS**  trans72.2149.6159.2-68.2175.8-176.100117.1
364E36Very low34.3Very low172 Ų172170.2 Ų170.280%0.80486%0.856SS**  cis-170.9157.73.5-119179.2176.300107.1
365G38.7Very low34.7Very low77 Ų77171.6 Ų171.679%0.79486%0.859SS**  trans76.9101.3143.100000120.2
366C36.9Very low34.9Very low209 Ų209173.6 Ų173.6100%1.41287%0.866SS**  164.40100.7-146.40000109.7

Retrieved 366 of 366 residues in 72.1 ms (Link to these results)

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