X6RDV4_HUMAN Loading...

Solute carrier family 13 member 3

AlphaFold DB , UniProt , Accession X6RDV4, Species HUMAN (Homo sapiens, Human), Gene SLC13A3, Length 301 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
1E65.4Low86Confident218 Ų21889.4 Ų89.4100%1.01946%0.458SS*.  0-49.90-65.3172.4165.400113.1R3 C4E1-R3 VanDerWaalsContact C-N 3.26Å; E1-R3 PolarHBondContact O-N 2.91Å; E1-R3 VanDerWaalsContact O-N 3.11Å; E1-C4 PolarHBondContact O-N 3.12Å; E1-C4 VanDerWaalsContact O-N 3.11Å
2G86.6Confident86.3Confident55 Ų5586.1 Ų86.157%0.56745%0.454SS*.Hα-helixtrans-56-29.3-178.800000116.6C4 L5 F6G2-C4 PolarHBondContact O-N 3.3Å; G2-L5 PolarHBondContact O-N 3.2Å; G2-F6 WeakPolarHBondContact O-CB 3.5Å; G2-F6 PolarHBondContact O-N 2.91Å
3R85.6Confident86.7Confident155 Ų15585.1 Ų85.159%0.58545%0.453SS*.Hα-helixtrans-64-36.8177-61.3-176.2-175.2171.62.8113.1E1 V7 M36 I38E1-R3 VanDerWaalsContact C-N 3.26Å; E1-R3 PolarHBondContact O-N 2.91Å; E1-R3 VanDerWaalsContact O-N 3.11Å; R3-V7 WeakPolarHBondContact O-CG2 3.33Å; R3-V7 PolarHBondContact O-N 3.4Å; R3-M36 HydrophobicContact CB-SD 4.13Å; R3-M36 HydrophobicContact CG-CE 4.27Å; R3-M36 PolarHBondContact NH1-O 2.62Å; R3-I38 HydrophobicContact CB-CD1 3.97Å; R3-I38 HydrophobicContact CB-CG1 4.12Å
4C84.1Confident86.7Confident49 Ų4984.6 Ų84.633%0.33144%0.443SS..Hα-helixtrans-72-42.7177.7-170.60000110.9E1 G2 F6 V7 I8E1-C4 PolarHBondContact O-N 3.12Å; E1-C4 VanDerWaalsContact O-N 3.11Å; G2-C4 PolarHBondContact O-N 3.3Å; C4-F6 VanDerWaalsContact C-N 3.29Å; C4-F6 PolarHBondContact O-N 3.37Å; C4-V7 PolarHBondContact O-N 2.89Å; C4-V7 VanDerWaalsContact O-N 3.17Å; C4-I8 WeakPolarHBondContact O-CG1 3.44Å; C4-I8 PolarHBondContact O-N 3.03Å
5L88.3Confident86.9Confident115 Ų11587.5 Ų87.560%0.60245%0.446SS*.Hα-helixtrans-60.1-39.7177-127.8167.3000111.9G2 I8 L9G2-L5 PolarHBondContact O-N 3.2Å; L5-I8 PolarHBondContact O-N 3.23Å; L5-L9 WeakPolarHBondContact O-CB 3.44Å; L5-L9 PolarHBondContact O-N 3.49Å
6F90Very high87Confident118 Ų11889.2 Ų89.252%0.51847%0.466SS..Hα-helixtrans-59.8-46174.1-179.8-102.7000112.4G2 C4 I8 L9 L10 M36G2-F6 WeakPolarHBondContact O-CB 3.5Å; G2-F6 PolarHBondContact O-N 2.91Å; C4-F6 VanDerWaalsContact C-N 3.29Å; C4-F6 PolarHBondContact O-N 3.37Å; F6-I8 PolarHBondContact O-N 3.49Å; F6-L9 PolarHBondContact O-N 3.13Å; F6-L10 HydrophobicContact CE1-CD1 3.96Å; F6-L10 HydrophobicContact CZ-CD1 4.08Å; F6-L10 VanDerWaalsContact O-CB 3.23Å; F6-L10 WeakPolarHBondContact O-CB 3.43Å; F6-L10 PolarHBondContact O-N 3.12Å; F6-M36 HydrophobicContact CD1-SD 4.11Å
7V88.9Confident87.2Confident1 Ų188.8 Ų88.81%0.00647%0.468CS..Hα-helixtrans-63.1-40.9177.9177.90000111.4R3 C4 L10 M11 L32 F33 M36 I38R3-V7 WeakPolarHBondContact O-CG2 3.33Å; R3-V7 PolarHBondContact O-N 3.4Å; C4-V7 PolarHBondContact O-N 2.89Å; C4-V7 VanDerWaalsContact O-N 3.17Å; V7-L10 PolarHBondContact O-N 3.33Å; V7-M11 WeakPolarHBondContact O-CG 3.1Å; V7-M11 PolarHBondContact O-N 3.43Å; V7-L32 HydrophobicContact CG1-CB 4.41Å; V7-L32 HydrophobicContact CG1-CD2 4.34Å; V7-L32 HydrophobicContact CG2-CB 4.37Å; V7-L32 HydrophobicContact CG2-CD2 4.19Å; V7-F33 HydrophobicContact CB-CE1 4.4Å; V7-F33 HydrophobicContact CG1-CE1 4.04Å; V7-F33 HydrophobicContact CG1-CZ 4.14Å; V7-M36 HydrophobicContact CG2-SD 4.26Å; V7-I38 HydrophobicContact CG2-CD1 4.15Å
8I89.1Confident87.3Confident101 Ų10190.6 Ų90.652%0.51847%0.473SS..Hα-helixtrans-66.2-44.8178.8-65.6166.9000111.2C4 L5 F6 L10 M11 A12C4-I8 WeakPolarHBondContact O-CG1 3.44Å; C4-I8 PolarHBondContact O-N 3.03Å; L5-I8 PolarHBondContact O-N 3.23Å; F6-I8 PolarHBondContact O-N 3.49Å; I8-L10 VanDerWaalsContact C-N 3.33Å; I8-M11 WeakPolarHBondContact O-CB 3.46Å; I8-M11 PolarHBondContact O-N 3.36Å; I8-A12 PolarHBondContact O-N 2.99Å
9L90.2Very high87.1Confident110 Ų11089.5 Ų89.558%0.57648%0.479SS*.Hα-helixtrans-65.6-40.2178.8-165.1150.8000110.8L5 F6 A12 V13L5-L9 WeakPolarHBondContact O-CB 3.44Å; L5-L9 PolarHBondContact O-N 3.49Å; F6-L9 PolarHBondContact O-N 3.13Å; L9-A12 PolarHBondContact O-N 3.31Å; L9-V13 HydrophobicContact CD2-CG2 4.06Å; L9-V13 WeakPolarHBondContact O-CG2 3.5Å; L9-V13 PolarHBondContact O-N 3.25Å
10L89.2Confident86.9Confident36 Ų3688.4 Ų88.419%0.18847%0.473CS..Hα-helixtrans-60.1-49.6173.4-170.9150.7000110.7F6 V7 I8 A12 V13 Y14 L28 L32F6-L10 HydrophobicContact CE1-CD1 3.96Å; F6-L10 HydrophobicContact CZ-CD1 4.08Å; F6-L10 VanDerWaalsContact O-CB 3.23Å; F6-L10 WeakPolarHBondContact O-CB 3.43Å; F6-L10 PolarHBondContact O-N 3.12Å; V7-L10 PolarHBondContact O-N 3.33Å; I8-L10 VanDerWaalsContact C-N 3.33Å; L10-A12 VanDerWaalsContact C-N 3.31Å; L10-A12 PolarHBondContact O-N 3.42Å; L10-V13 PolarHBondContact O-N 3.36Å; L10-Y14 HydrophobicContact CD1-CE2 4.39Å; L10-Y14 HydrophobicContact CD2-CD2 3.4Å; L10-Y14 VanDerWaalsContact CD2-CD2 3.4Å; L10-Y14 HydrophobicContact CD2-CE2 3.46Å; L10-Y14 VanDerWaalsContact CD2-CE2 3.46Å; L10-Y14 HydrophobicContact CG-CD2 3.83Å; L10-Y14 HydrophobicContact CG-CE2 3.71Å; L10-Y14 VanDerWaalsContact O-CD2 3.27Å; L10-Y14 WeakPolarHBondContact O-CD2 3.29Å; L10-Y14 PolarHBondContact O-N 2.74Å; L10-L28 HydrophobicContact CD2-CD2 3.68Å; L10-L32 HydrophobicContact CD1-CD2 4.26Å; L10-L32 HydrophobicContact CD2-CD2 4.15Å
11M89.1Confident86.7Confident25 Ų2588.2 Ų88.212%0.12348%0.476CS..Hα-helixtrans-52.9-46.9174-79.5-63.1114.300112.7V7 I8 V13 Y14 W15 L28 P29V7-M11 WeakPolarHBondContact O-CG 3.1Å; V7-M11 PolarHBondContact O-N 3.43Å; I8-M11 WeakPolarHBondContact O-CB 3.46Å; I8-M11 PolarHBondContact O-N 3.36Å; M11-V13 PolarHBondContact O-N 2.95Å; M11-Y14 PolarHBondContact O-N 3.28Å; M11-W15 PolarHBondContact O-N 3.31Å; M11-L28 HydrophobicContact CE-CB 3.53Å; M11-L28 HydrophobicContact CE-CD1 4.31Å; M11-L28 HydrophobicContact CE-CD2 3.19Å; M11-L28 HydrophobicContact CE-CG 3.82Å; M11-P29 HydrophobicContact CE-CG 3.82Å; M11-P29 HydrophobicContact CG-CG 4.16Å; M11-P29 HydrophobicContact SD-CG 3.54Å; M11-P29 VanDerWaalsContact SD-CG 3.54Å
12A89.6Confident87.3Confident50 Ų5081.6 Ų81.641%0.41345%0.448SS..Hα-helixtrans-63.2-42.2-179.300000112.1I8 L9 L10 W15 C16I8-A12 PolarHBondContact O-N 2.99Å; L9-A12 PolarHBondContact O-N 3.31Å; L10-A12 VanDerWaalsContact C-N 3.31Å; L10-A12 PolarHBondContact O-N 3.42Å; A12-W15 PolarHBondContact O-N 3.43Å; A12-C16 WeakPolarHBondContact O-CB 3.25Å; A12-C16 PolarHBondContact O-N 3.36Å; A12-C16 PolarHBondContact O-SG 3.27Å; A12-C16 VanDerWaalsContact O-SG 3.35Å
13V91.1Very high87.2Confident73 Ų7383.4 Ų83.444%0.44245%0.452SS..Hα-helixtrans-64.7-44.2176.4173.30000110.9L9 L10 M11 W15 C16 T17L9-V13 HydrophobicContact CD2-CG2 4.06Å; L9-V13 WeakPolarHBondContact O-CG2 3.5Å; L9-V13 PolarHBondContact O-N 3.25Å; L10-V13 PolarHBondContact O-N 3.36Å; M11-V13 PolarHBondContact O-N 2.95Å; V13-W15 VanDerWaalsContact C-N 3.33Å; V13-W15 PolarHBondContact O-N 2.91Å; V13-C16 PolarHBondContact O-N 3.49Å; V13-T17 HydrophobicContact CG1-CG2 4.09Å; V13-T17 WeakPolarHBondContact O-CB 2.94Å; V13-T17 WeakPolarHBondContact O-CG2 3.39Å; V13-T17 PolarHBondContact O-N 3.21Å; V13-T17 PolarHBondContact O-OG1 2.89Å
14Y87.2Confident87.2Confident79 Ų7979.6 Ų79.631%0.3145%0.445SS..Hα-helixtrans-65.8-32.9179.1-88-82.4000113.3L10 M11 E18 L20 T25L10-Y14 HydrophobicContact CD1-CE2 4.39Å; L10-Y14 HydrophobicContact CD2-CD2 3.4Å; L10-Y14 VanDerWaalsContact CD2-CD2 3.4Å; L10-Y14 HydrophobicContact CD2-CE2 3.46Å; L10-Y14 VanDerWaalsContact CD2-CE2 3.46Å; L10-Y14 HydrophobicContact CG-CD2 3.83Å; L10-Y14 HydrophobicContact CG-CE2 3.71Å; L10-Y14 VanDerWaalsContact O-CD2 3.27Å; L10-Y14 WeakPolarHBondContact O-CD2 3.29Å; L10-Y14 PolarHBondContact O-N 2.74Å; M11-Y14 PolarHBondContact O-N 3.28Å; Y14-E18 PolarHBondContact O-N 3.29Å; Y14-L20 HydrophobicContact CD1-CD1 4.05Å; Y14-L20 HydrophobicContact CD1-CG 4.42Å; Y14-L20 HydrophobicContact CE1-CD1 3.77Å; Y14-L20 HydrophobicContact CE1-CG 4.3Å; Y14-T25 HydrophobicContact CD1-CG2 4.34Å
15W88.8Confident87.4Confident128 Ų12877.2 Ų77.249%0.48543%0.43SS..Hα-helixtrans-72.6-39.5172.1-81.3-2.2000113.1M11 A12 V13 T25M11-W15 PolarHBondContact O-N 3.31Å; A12-W15 PolarHBondContact O-N 3.43Å; V13-W15 VanDerWaalsContact C-N 3.33Å; V13-W15 PolarHBondContact O-N 2.91Å; W15-T25 PolarHBondContact NE1-OG1 3.42Å
16C89.6Confident87.3Confident114 Ų11473.7 Ų73.777%0.7742%0.417SS*.Hα-helixtrans-72.5-32.2178.5-73.40000113.3A12 V13A12-C16 WeakPolarHBondContact O-CB 3.25Å; A12-C16 PolarHBondContact O-N 3.36Å; A12-C16 PolarHBondContact O-SG 3.27Å; A12-C16 VanDerWaalsContact O-SG 3.35Å; V13-C16 PolarHBondContact O-N 3.49Å
17T90.4Very high87.1Confident82 Ų8272.8 Ų72.850%0.50342%0.417SS..Hα-helixtrans-87.9-12.9-177.353.30000113.3V13 A19V13-T17 HydrophobicContact CG1-CG2 4.09Å; V13-T17 WeakPolarHBondContact O-CB 2.94Å; V13-T17 WeakPolarHBondContact O-CG2 3.39Å; V13-T17 PolarHBondContact O-N 3.21Å; V13-T17 PolarHBondContact O-OG1 2.89Å; T17-A19 PolarHBondContact O-N 2.9Å
18E87.6Confident87.1Confident121 Ų12174.3 Ų74.357%0.56543%0.425SS*.  trans44.527.2-175.6-65.6-171.5176.700113.7Y14 L20Y14-E18 PolarHBondContact O-N 3.29Å; E18-L20 PolarHBondContact O-N 2.62Å; E18-L20 VanDerWaalsContact O-N 3.16Å
19A84.7Confident86.9Confident71 Ų7170.1 Ų70.159%0.58740%0.404SS*.  trans-66.8-20.9-174.100000112.7T17T17-A19 PolarHBondContact O-N 2.9Å
20L83.3Confident86.8Confident66 Ų6666.8 Ų66.835%0.34639%0.387SS..SBendtrans-129.2149.6174.8-69.6175000109.3Y14 E18 L22 V24 T25Y14-L20 HydrophobicContact CD1-CD1 4.05Å; Y14-L20 HydrophobicContact CD1-CG 4.42Å; Y14-L20 HydrophobicContact CE1-CD1 3.77Å; Y14-L20 HydrophobicContact CE1-CG 4.3Å; E18-L20 PolarHBondContact O-N 2.62Å; E18-L20 VanDerWaalsContact O-N 3.16Å; L20-L22 PolarHBondContact O-N 2.92Å; L20-V24 HydrophobicContact CD1-CG1 4.4Å; L20-T25 HydrophobicContact CB-CG2 3.69Å
21P82.4Confident86.8Confident85 Ų8569.8 Ų69.855%0.55241%0.406SS*.  trans-55.9139.6176.122.4-32.2000110.8S23 V24 T25P21-S23 PolarHBondContact O-N 2.96Å; P21-V24 HydrophobicContact CG-CB 4.08Å; P21-V24 HydrophobicContact CG-CG2 3.69Å; P21-V24 PolarHBondContact O-N 3.02Å; P21-T25 PolarHBondContact O-N 3.08Å
22L77.6Confident86.7Confident80 Ų8070.4 Ų70.442%0.41941%0.41SS..Hα-helixtrans-52.6-31.5-174.1-73.2161.3000113.6L20 T25 A26 V168L20-L22 PolarHBondContact O-N 2.92Å; L22-T25 WeakPolarHBondContact CA-OG1 3.35Å; L22-T25 PolarHBondContact O-OG1 3.42Å; L22-A26 WeakPolarHBondContact O-CB 3.22Å; L22-A26 PolarHBondContact O-N 3.07Å; L22-V168 HydrophobicContact CD1-CG2 4.17Å; L22-V168 HydrophobicContact CD2-CG1 4.13Å; L22-V168 HydrophobicContact CD2-CG2 4.37Å
23S85Confident86.5Confident93 Ų9370.2 Ų70.265%0.6540%0.4SS*.Hα-helixtrans-66.3-38.3176.1-50.80000112.8P21 L27P21-S23 PolarHBondContact O-N 2.96Å; S23-L27 WeakPolarHBondContact O-CG 3.47Å; S23-L27 PolarHBondContact O-N 2.82Å
24V85Confident86.3Confident74 Ų7468.7 Ų68.745%0.44839%0.391SS..Hα-helixtrans-75.6-40-179.8175.80000110.3L20 P21 A26 L27 L28L20-V24 HydrophobicContact CD1-CG1 4.4Å; P21-V24 HydrophobicContact CG-CB 4.08Å; P21-V24 HydrophobicContact CG-CG2 3.69Å; P21-V24 PolarHBondContact O-N 3.02Å; V24-A26 VanDerWaalsContact C-N 3.33Å; V24-A26 PolarHBondContact O-N 3.18Å; V24-L27 PolarHBondContact O-N 2.92Å; V24-L28 PolarHBondContact O-N 3.49Å
25T87.9Confident86.3Confident0 Ų073.5 Ų73.50%041%0.414CS..Hα-helixtrans-64.9-37175.6570000111.8Y14 W15 L20 P21 L22 L27 L28Y14-T25 HydrophobicContact CD1-CG2 4.34Å; W15-T25 PolarHBondContact NE1-OG1 3.42Å; L20-T25 HydrophobicContact CB-CG2 3.69Å; P21-T25 PolarHBondContact O-N 3.08Å; L22-T25 WeakPolarHBondContact CA-OG1 3.35Å; L22-T25 PolarHBondContact O-OG1 3.42Å; T25-L27 VanDerWaalsContact C-N 3.28Å; T25-L27 PolarHBondContact O-N 2.86Å; T25-L28 WeakPolarHBondContact O-CB 3.45Å; T25-L28 PolarHBondContact O-N 2.91Å
26A86.4Confident86.1Confident41 Ų4170.1 Ų70.134%0.33940%0.404SS..Hα-helixtrans-64.7-28.5175.500000113.8L22 V24 P29 Y48L22-A26 WeakPolarHBondContact O-CB 3.22Å; L22-A26 PolarHBondContact O-N 3.07Å; V24-A26 VanDerWaalsContact C-N 3.33Å; V24-A26 PolarHBondContact O-N 3.18Å; A26-P29 WeakPolarHBondContact O-CD 3.45Å; A26-Y48 WeakPolarHBondContact O-CE1 3.41Å; A26-Y48 PolarHBondContact O-OH 3.08Å
27L86.7Confident85.7Confident98 Ų9867.6 Ų67.651%0.51340%0.398SS..Hα-helixtrans-82.4-24.5176.9-72.7172.6000113S23 V24 T25 P29 I30S23-L27 WeakPolarHBondContact O-CG 3.47Å; S23-L27 PolarHBondContact O-N 2.82Å; V24-L27 PolarHBondContact O-N 2.92Å; T25-L27 VanDerWaalsContact C-N 3.28Å; T25-L27 PolarHBondContact O-N 2.86Å; L27-P29 VanDerWaalsContact C-N 3.31Å; L27-P29 VanDerWaalsContact O-N 3.14Å; L27-I30 VanDerWaalsContact O-CB 3.31Å; L27-I30 WeakPolarHBondContact O-CB 3.4Å; L27-I30 WeakPolarHBondContact O-CG2 3.5Å; L27-I30 PolarHBondContact O-N 2.9Å
28L87.5Confident85.3Confident33 Ų3366.3 Ų66.317%0.17339%0.387CS..Hα-helixtrans-53.7-34.7-174-164.1153.6000115L10 M11 V24 T25 I30 V31 L32L10-L28 HydrophobicContact CD2-CD2 3.68Å; M11-L28 HydrophobicContact CE-CB 3.53Å; M11-L28 HydrophobicContact CE-CD1 4.31Å; M11-L28 HydrophobicContact CE-CD2 3.19Å; M11-L28 HydrophobicContact CE-CG 3.82Å; V24-L28 PolarHBondContact O-N 3.49Å; T25-L28 WeakPolarHBondContact O-CB 3.45Å; T25-L28 PolarHBondContact O-N 2.91Å; L28-I30 VanDerWaalsContact C-N 3.25Å; L28-I30 PolarHBondContact O-N 2.89Å; L28-V31 PolarHBondContact O-N 3.41Å; L28-L32 HydrophobicContact CD2-CB 4.42Å; L28-L32 HydrophobicContact CD2-CD1 3.41Å; L28-L32 VanDerWaalsContact CD2-CD1 3.41Å; L28-L32 HydrophobicContact CD2-CD2 3.5Å; L28-L32 HydrophobicContact CD2-CG 3.93Å; L28-L32 HydrophobicContact CG-CD1 4.11Å; L28-L32 PolarHBondContact O-N 3.38Å
29P86.3Confident85.1Confident13 Ų1364.5 Ų64.58%0.08438%0.381CS..Hα-helixtrans-61.4-28.9173.3-20.331.8000114.1M11 A26 L27 V31 L32 F33 Y48M11-P29 HydrophobicContact CE-CG 3.82Å; M11-P29 HydrophobicContact CG-CG 4.16Å; M11-P29 HydrophobicContact SD-CG 3.54Å; M11-P29 VanDerWaalsContact SD-CG 3.54Å; A26-P29 WeakPolarHBondContact O-CD 3.45Å; L27-P29 VanDerWaalsContact C-N 3.31Å; L27-P29 VanDerWaalsContact O-N 3.14Å; P29-V31 PolarHBondContact O-N 2.86Å; P29-L32 PolarHBondContact O-N 3.38Å; P29-F33 HydrophobicContact CB-CD2 3.71Å; P29-F33 HydrophobicContact CB-CE2 3.49Å; P29-F33 VanDerWaalsContact CB-CE2 3.49Å; P29-F33 HydrophobicContact CB-CZ 4.43Å; P29-F33 WeakPolarHBondContact O-CB 3.28Å; P29-F33 WeakPolarHBondContact O-CD2 3.47Å; P29-F33 WeakPolarHBondContact O-CG 3.48Å; P29-F33 PolarHBondContact O-N 2.84Å; P29-Y48 WeakPolarHBondContact CB-OH 3.3Å; P29-Y48 WeakPolarHBondContact CG-OH 3.26Å
30I87.6Confident85Confident40 Ų4065.1 Ų65.121%0.20538%0.379CS..Hα-helixtrans-63.7-30.1-179.9-150.2171.9000112.2L27 L28 P34 V44 C45 Y48L27-I30 VanDerWaalsContact O-CB 3.31Å; L27-I30 WeakPolarHBondContact O-CB 3.4Å; L27-I30 WeakPolarHBondContact O-CG2 3.5Å; L27-I30 PolarHBondContact O-N 2.9Å; L28-I30 VanDerWaalsContact C-N 3.25Å; L28-I30 PolarHBondContact O-N 2.89Å; I30-P34 WeakPolarHBondContact O-CD 3.39Å; I30-P34 VanDerWaalsContact O-CG 3.27Å; I30-P34 WeakPolarHBondContact O-CG 3.43Å; I30-V44 HydrophobicContact CG1-CG1 4.21Å; I30-C45 HydrophobicContact CD1-CB 4.47Å; I30-Y48 HydrophobicContact CB-CE2 4.29Å; I30-Y48 HydrophobicContact CD1-CD2 4.18Å; I30-Y48 HydrophobicContact CG1-CD2 4.45Å; I30-Y48 HydrophobicContact CG1-CE2 4.41Å
31V88.5Confident85Confident100 Ų10064.6 Ų64.661%0.60638%0.381SS*.Hα-helixtrans-93.4-40.1178.5-174.70000110.7L28 P29 P34 F35L28-V31 PolarHBondContact O-N 3.41Å; P29-V31 PolarHBondContact O-N 2.86Å; V31-P34 WeakPolarHBondContact O-CD 3.43Å; V31-F35 VanDerWaalsContact O-CB 3.27Å; V31-F35 WeakPolarHBondContact O-CB 3.5Å; V31-F35 PolarHBondContact O-N 3.33Å
32L86.8Confident85Confident38 Ų3867.4 Ų67.420%0.19939%0.392CS..Hα-helixtrans-69.8-36.5-177.9-102.467.8000113.4V7 L10 L28 P29 F35 M36V7-L32 HydrophobicContact CG1-CB 4.41Å; V7-L32 HydrophobicContact CG1-CD2 4.34Å; V7-L32 HydrophobicContact CG2-CB 4.37Å; V7-L32 HydrophobicContact CG2-CD2 4.19Å; L10-L32 HydrophobicContact CD1-CD2 4.26Å; L10-L32 HydrophobicContact CD2-CD2 4.15Å; L28-L32 HydrophobicContact CD2-CB 4.42Å; L28-L32 HydrophobicContact CD2-CD1 3.41Å; L28-L32 VanDerWaalsContact CD2-CD1 3.41Å; L28-L32 HydrophobicContact CD2-CD2 3.5Å; L28-L32 HydrophobicContact CD2-CG 3.93Å; L28-L32 HydrophobicContact CG-CD1 4.11Å; L28-L32 PolarHBondContact O-N 3.38Å; P29-L32 PolarHBondContact O-N 3.38Å; L32-F35 PolarHBondContact O-N 2.99Å; L32-M36 WeakPolarHBondContact O-CB 3.18Å; L32-M36 WeakPolarHBondContact O-CG 3.03Å; L32-M36 PolarHBondContact O-N 3.46Å
33F86.8Confident85.2Confident46 Ų4670.3 Ų70.320%0.20240%0.401CS..Hα-helixtrans-65.1-44.8-178.4-77.5-52.1000113.5V7 P29 G37 I38 V44V7-F33 HydrophobicContact CB-CE1 4.4Å; V7-F33 HydrophobicContact CG1-CE1 4.04Å; V7-F33 HydrophobicContact CG1-CZ 4.14Å; P29-F33 HydrophobicContact CB-CD2 3.71Å; P29-F33 HydrophobicContact CB-CE2 3.49Å; P29-F33 VanDerWaalsContact CB-CE2 3.49Å; P29-F33 HydrophobicContact CB-CZ 4.43Å; P29-F33 WeakPolarHBondContact O-CB 3.28Å; P29-F33 WeakPolarHBondContact O-CD2 3.47Å; P29-F33 WeakPolarHBondContact O-CG 3.48Å; P29-F33 PolarHBondContact O-N 2.84Å; F33-G37 PolarHBondContact O-N 3.03Å; F33-I38 HydrophobicContact CD1-CB 4.2Å; F33-I38 HydrophobicContact CD1-CD1 3.96Å; F33-I38 HydrophobicContact CD1-CG2 4.25Å; F33-I38 HydrophobicContact CE1-CD1 4.4Å; F33-I38 PolarHBondContact O-N 3.1Å; F33-V44 HydrophobicContact CB-CG2 4.2Å; F33-V44 HydrophobicContact CD2-CG1 4.2Å
34P86.9Confident85.1Confident40 Ų4066.4 Ų66.426%0.2637%0.373SS..Hα-helixtrans-67.6-39.4171.6-22.634.6000112.9I30 V31 M36 G37 S41I30-P34 WeakPolarHBondContact O-CD 3.39Å; I30-P34 VanDerWaalsContact O-CG 3.27Å; I30-P34 WeakPolarHBondContact O-CG 3.43Å; V31-P34 WeakPolarHBondContact O-CD 3.43Å; P34-M36 PolarHBondContact O-N 2.97Å; P34-G37 PolarHBondContact O-N 2.75Å; P34-S41 WeakPolarHBondContact CB-OG 3.32Å; P34-S41 WeakPolarHBondContact CG-OG 3.47Å
35F87.1Confident84.9Confident181 Ų18165.1 Ų65.179%0.79437%0.367SS*.Hα-helixtrans-64.8-37.2-178.2-170.5-101.4000112.8V31 L32 G37V31-F35 VanDerWaalsContact O-CB 3.27Å; V31-F35 WeakPolarHBondContact O-CB 3.5Å; V31-F35 PolarHBondContact O-N 3.33Å; L32-F35 PolarHBondContact O-N 2.99Å; F35-G37 VanDerWaalsContact C-N 3.28Å; F35-G37 PolarHBondContact O-N 2.74Å
36M83.4Confident84.6Confident56 Ų5668.3 Ų68.328%0.27639%0.387SS..THydrogen-bonded Turntrans-82.8-2.1174.9-66.6-132.990.500113.9R3 F6 V7 L32 P34 I38R3-M36 HydrophobicContact CB-SD 4.13Å; R3-M36 HydrophobicContact CG-CE 4.27Å; R3-M36 PolarHBondContact NH1-O 2.62Å; F6-M36 HydrophobicContact CD1-SD 4.11Å; V7-M36 HydrophobicContact CG2-SD 4.26Å; L32-M36 WeakPolarHBondContact O-CB 3.18Å; L32-M36 WeakPolarHBondContact O-CG 3.03Å; L32-M36 PolarHBondContact O-N 3.46Å; P34-M36 PolarHBondContact O-N 2.97Å; M36-I38 VanDerWaalsContact C-N 3.33Å; M36-I38 HydrophobicContact CB-CD1 3.67Å; M36-I38 HydrophobicContact CB-CG1 3.9Å; M36-I38 HydrophobicContact CG-CD1 4.5Å; M36-I38 PolarHBondContact O-N 3.48Å
37G82Confident84.4Confident62 Ų6272 Ų7264%0.63940%0.398SS*.THydrogen-bonded Turntrans67.428-179.700000114.2F33 P34 F35F33-G37 PolarHBondContact O-N 3.03Å; P34-G37 PolarHBondContact O-N 2.75Å; F35-G37 VanDerWaalsContact C-N 3.28Å; F35-G37 PolarHBondContact O-N 2.74Å
38I82.2Confident84.1Confident54 Ų5470.6 Ų70.628%0.27739%0.386SS..SBendtrans-85-47.9-175.8-59.5160.8000110.4R3 V7 F33 M36R3-I38 HydrophobicContact CB-CD1 3.97Å; R3-I38 HydrophobicContact CB-CG1 4.12Å; V7-I38 HydrophobicContact CG2-CD1 4.15Å; F33-I38 HydrophobicContact CD1-CB 4.2Å; F33-I38 HydrophobicContact CD1-CD1 3.96Å; F33-I38 HydrophobicContact CD1-CG2 4.25Å; F33-I38 HydrophobicContact CE1-CD1 4.4Å; F33-I38 PolarHBondContact O-N 3.1Å; M36-I38 VanDerWaalsContact C-N 3.33Å; M36-I38 HydrophobicContact CB-CD1 3.67Å; M36-I38 HydrophobicContact CB-CG1 3.9Å; M36-I38 HydrophobicContact CG-CD1 4.5Å; M36-I38 PolarHBondContact O-N 3.48Å
39L82.9Confident83.7Confident84 Ų8475.4 Ų75.444%0.4441%0.406SS..SBendtrans-139140.7177.8-110.986.6000110K43 V44L39-K43 HydrophobicContact CD2-CB 4.17Å; L39-V44 HydrophobicContact CB-CG2 3.71Å; L39-V44 HydrophobicContact CD2-CG2 3.93Å; L39-V44 HydrophobicContact CG-CG2 4.49Å
40P84Confident83.3Confident83 Ų8376 Ų7654%0.53941%0.408SS..  trans-69.5145175.428.6-33.9000111.6N42 K43 V44P40-N42 PolarHBondContact O-N 3.08Å; P40-N42 VanDerWaalsContact O-N 3.11Å; P40-K43 HydrophobicContact CG-CB 4.35Å; P40-K43 HydrophobicContact CG-CG 3.92Å; P40-K43 PolarHBondContact O-N 2.9Å; P40-V44 PolarHBondContact O-N 3.45Å
41S82.8Confident82.5Confident55 Ų5576.2 Ų76.239%0.38541%0.41SS..Hα-helixtrans-53.2-37.3-176.6-45.30000113.3P34 K43 V44 C45P34-S41 WeakPolarHBondContact CB-OG 3.32Å; P34-S41 WeakPolarHBondContact CG-OG 3.47Å; S41-K43 PolarHBondContact O-N 3.34Å; S41-V44 PolarHBondContact O-N 3.44Å; S41-V44 VanDerWaalsContact O-N 3.12Å; S41-C45 WeakPolarHBondContact O-CB 3.08Å; S41-C45 PolarHBondContact O-N 3.2Å; S41-C45 PolarHBondContact O-SG 3.2Å
42N80.9Confident81.8Confident145 Ų14573.8 Ų73.878%0.77540%0.395SS*.Hα-helixtrans-60.5-19.8178.9-71.4-18.7000114.2P40 P46P40-N42 PolarHBondContact O-N 3.08Å; P40-N42 VanDerWaalsContact O-N 3.11Å; N42-P46 VanDerWaalsContact O-CD 3.23Å; N42-P46 WeakPolarHBondContact O-CD 3.4Å; N42-P46 WeakPolarHBondContact O-CG 3.23Å
43K82.8Confident81.4Confident140 Ų14075.9 Ų75.961%0.60941%0.406SS*.Hα-helixtrans-97.3-28177.4-66.1-71.8-173.71690112.8L39 P40 S41L39-K43 HydrophobicContact CD2-CB 4.17Å; P40-K43 HydrophobicContact CG-CB 4.35Å; P40-K43 HydrophobicContact CG-CG 3.92Å; P40-K43 PolarHBondContact O-N 2.9Å; S41-K43 PolarHBondContact O-N 3.34Å
44V82.9Confident80.9Confident11 Ų1178.7 Ų78.77%0.06742%0.419CS..Hα-helixtrans-84.1-44.7-178.3-174.50000111.2I30 F33 L39 P40 S41 Q47 Y48I30-V44 HydrophobicContact CG1-CG1 4.21Å; F33-V44 HydrophobicContact CB-CG2 4.2Å; F33-V44 HydrophobicContact CD2-CG1 4.2Å; L39-V44 HydrophobicContact CB-CG2 3.71Å; L39-V44 HydrophobicContact CD2-CG2 3.93Å; L39-V44 HydrophobicContact CG-CG2 4.49Å; P40-V44 PolarHBondContact O-N 3.45Å; S41-V44 PolarHBondContact O-N 3.44Å; S41-V44 VanDerWaalsContact O-N 3.12Å; V44-Q47 WeakPolarHBondContact O-CB 3.41Å; V44-Q47 PolarHBondContact O-N 2.96Å; V44-Q47 VanDerWaalsContact O-N 3.1Å; V44-Y48 HydrophobicContact CG1-CE2 4.08Å
45C81.4Confident80.4Confident47 Ų4779.4 Ų79.432%0.31842%0.42SS..Hα-helixtrans-52.8-46.6179.2-63.70000114.5I30 S41 Q47 Y48 F49I30-C45 HydrophobicContact CD1-CB 4.47Å; S41-C45 WeakPolarHBondContact O-CB 3.08Å; S41-C45 PolarHBondContact O-N 3.2Å; S41-C45 PolarHBondContact O-SG 3.2Å; C45-Q47 PolarHBondContact O-N 2.88Å; C45-Y48 PolarHBondContact O-N 3.29Å; C45-F49 WeakPolarHBondContact O-CD2 3.4Å
46P81.8Confident79.7Confident67 Ų6775.4 Ų75.444%0.43540%0.403SS..Hα-helixtrans-68.4-16.3-179.126.5-35.6000114.1N42 Y48N42-P46 VanDerWaalsContact O-CD 3.23Å; N42-P46 WeakPolarHBondContact O-CD 3.4Å; N42-P46 WeakPolarHBondContact O-CG 3.23Å; P46-Y48 VanDerWaalsContact C-N 3.29Å
47Q81.4Confident79.4Confident119 Ų11977 Ų7756%0.55641%0.412SS*.Hα-helixtrans-74.1-20.8175.5-64.7-63.8-60.200112.9V44 C45 L50V44-Q47 WeakPolarHBondContact O-CB 3.41Å; V44-Q47 PolarHBondContact O-N 2.96Å; V44-Q47 VanDerWaalsContact O-N 3.1Å; C45-Q47 PolarHBondContact O-N 2.88Å; Q47-L50 WeakPolarHBondContact O-CG 3.45Å
48Y79.8Confident79.3Confident69 Ų6976 Ų7627%0.27140%0.395SS..Hα-helixtrans-85.6-28.8175.6-78.2-90.2000112.5A26 P29 I30 V44 C45 P46 L50 N53A26-Y48 WeakPolarHBondContact O-CE1 3.41Å; A26-Y48 PolarHBondContact O-OH 3.08Å; P29-Y48 WeakPolarHBondContact CB-OH 3.3Å; P29-Y48 WeakPolarHBondContact CG-OH 3.26Å; I30-Y48 HydrophobicContact CB-CE2 4.29Å; I30-Y48 HydrophobicContact CD1-CD2 4.18Å; I30-Y48 HydrophobicContact CG1-CD2 4.45Å; I30-Y48 HydrophobicContact CG1-CE2 4.41Å; V44-Y48 HydrophobicContact CG1-CE2 4.08Å; C45-Y48 PolarHBondContact O-N 3.29Å; P46-Y48 VanDerWaalsContact C-N 3.29Å; Y48-L50 VanDerWaalsContact C-N 3.31Å; Y48-L50 PolarHBondContact O-N 3.28Å; Y48-N53 PolarHBondContact O-ND2 3.32Å
49F78.6Confident79Confident134 Ų13474.1 Ų74.159%0.58839%0.389SS*.SBendtrans-94.343.9-178.7-71.2-69.3000112.8C45 F54C45-F49 WeakPolarHBondContact O-CD2 3.4Å; F49-F54 HydrophobicContact CB-CE2 3.98Å; F49-F54 AromaticContact CD1-CE2 3.52Å; F49-F54 HydrophobicContact CD1-CE2 3.52Å; F49-F54 AromaticContact CD1-CZ 3.44Å; F49-F54 HydrophobicContact CD1-CZ 3.44Å; F49-F54 VanDerWaalsContact CD1-CZ 3.44Å; F49-F54 HydrophobicContact CE1-CE2 4.47Å; F49-F54 AromaticContact CE1-CZ 3.97Å; F49-F54 HydrophobicContact CE1-CZ 3.97Å; F49-F54 HydrophobicContact CG-CE2 4.22Å; F49-F54 HydrophobicContact CG-CZ 4.48Å
50L79.1Confident78.7Confident25 Ų2573.1 Ų73.113%0.13138%0.384CS..  trans-71.2144.5173.5-64.1174.8000110.5Q47 Y48 T52 N53 F54Q47-L50 WeakPolarHBondContact O-CG 3.45Å; Y48-L50 VanDerWaalsContact C-N 3.31Å; Y48-L50 PolarHBondContact O-N 3.28Å; L50-T52 PolarHBondContact O-N 2.92Å; L50-T52 VanDerWaalsContact O-N 3.07Å; L50-N53 WeakPolarHBondContact O-CB 3.25Å; L50-N53 PolarHBondContact O-N 3.44Å; L50-F54 PolarHBondContact O-N 2.94Å
51D70.7Confident78.5Confident44 Ų4474.4 Ų74.424%0.23539%0.385CS..Hα-helixtrans-53.7-33.1178.2-61.7-47.9000112N53 F54 L55 G291 I292D51-N53 PolarHBondContact O-N 3.28Å; D51-F54 PolarHBondContact O-N 3.48Å; D51-L55 WeakPolarHBondContact O-CB 3.23Å; D51-L55 VanDerWaalsContact O-CG 3.25Å; D51-L55 WeakPolarHBondContact O-CG 3.43Å; D51-L55 PolarHBondContact O-N 3.45Å; D51-G291 VanDerWaalsContact OD2-C 3.26Å; D51-G291 VanDerWaalsContact OD2-O 3.09Å; D51-I292 WeakPolarHBondContact OD2-CA 3.24Å; D51-I292 WeakPolarHBondContact OD2-CG1 3.41Å; D51-I292 PolarHBondContact OD2-N 2.94Å
52T73.3Confident78.5Confident50 Ų5073.3 Ų73.331%0.30737%0.374SS..Hα-helixtrans-60.4-41174.6-51.60000112.9L50 L55 F56L50-T52 PolarHBondContact O-N 2.92Å; L50-T52 VanDerWaalsContact O-N 3.07Å; T52-L55 PolarHBondContact O-N 2.99Å; T52-F56 WeakPolarHBondContact O-CB 3.39Å; T52-F56 PolarHBondContact O-N 3.34Å
53N78.9Confident78.2Confident81 Ų8166.7 Ų66.743%0.43334%0.339SS..Hα-helixtrans-69.8-39.3179.8-68.8-14.2000110.7Y48 L50 D51 F56 L57Y48-N53 PolarHBondContact O-ND2 3.32Å; L50-N53 WeakPolarHBondContact O-CB 3.25Å; L50-N53 PolarHBondContact O-N 3.44Å; D51-N53 PolarHBondContact O-N 3.28Å; N53-F56 PolarHBondContact O-N 3.46Å; N53-L57 WeakPolarHBondContact O-CB 3.29Å; N53-L57 PolarHBondContact O-N 3.36Å
54F76.6Confident77.9Confident105 Ų10562.9 Ų62.946%0.46133%0.33SS..Hα-helixtrans-66.3-39.7173.9-82.5-69.4000112.7F49 L50 D51 L57 S58F49-F54 HydrophobicContact CB-CE2 3.98Å; F49-F54 AromaticContact CD1-CE2 3.52Å; F49-F54 HydrophobicContact CD1-CE2 3.52Å; F49-F54 AromaticContact CD1-CZ 3.44Å; F49-F54 HydrophobicContact CD1-CZ 3.44Å; F49-F54 VanDerWaalsContact CD1-CZ 3.44Å; F49-F54 HydrophobicContact CE1-CE2 4.47Å; F49-F54 AromaticContact CE1-CZ 3.97Å; F49-F54 HydrophobicContact CE1-CZ 3.97Å; F49-F54 HydrophobicContact CG-CE2 4.22Å; F49-F54 HydrophobicContact CG-CZ 4.48Å; L50-F54 PolarHBondContact O-N 2.94Å; D51-F54 PolarHBondContact O-N 3.48Å; F54-L57 PolarHBondContact O-N 3.05Å; F54-S58 WeakPolarHBondContact O-CB 3.41Å; F54-S58 PolarHBondContact O-N 3.04Å; F54-S58 PolarHBondContact O-OG 3.19Å
55L75.8Confident77.9Confident56 Ų5663.7 Ų63.729%0.29334%0.338SS..Hα-helixtrans-62-44.6174-74.8165000111.3D51 T52 S58 G59 L269D51-L55 WeakPolarHBondContact O-CB 3.23Å; D51-L55 VanDerWaalsContact O-CG 3.25Å; D51-L55 WeakPolarHBondContact O-CG 3.43Å; D51-L55 PolarHBondContact O-N 3.45Å; T52-L55 PolarHBondContact O-N 2.99Å; L55-S58 PolarHBondContact O-N 3.49Å; L55-S58 PolarHBondContact O-OG 3.44Å; L55-G59 PolarHBondContact O-N 2.87Å; L55-L269 HydrophobicContact CD2-CD2 4.45Å
56F72.7Confident77.7Confident97 Ų9762.4 Ų62.443%0.42533%0.328SS..Hα-helixtrans-62.3-45.5175.8-175.9-106.2000111.8T52 N53 S58 G59 L60T52-F56 WeakPolarHBondContact O-CB 3.39Å; T52-F56 PolarHBondContact O-N 3.34Å; N53-F56 PolarHBondContact O-N 3.46Å; F56-S58 VanDerWaalsContact C-N 3.33Å; F56-S58 PolarHBondContact O-N 3.42Å; F56-G59 PolarHBondContact O-N 3.31Å; F56-L60 HydrophobicContact CD1-CD1 3.93Å; F56-L60 HydrophobicContact CD1-CG 4.42Å; F56-L60 HydrophobicContact CE1-CD1 3.43Å; F56-L60 VanDerWaalsContact CE1-CD1 3.43Å; F56-L60 HydrophobicContact CE1-CG 4.08Å; F56-L60 HydrophobicContact CZ-CD1 3.91Å; F56-L60 HydrophobicContact CZ-CD2 4.22Å; F56-L60 HydrophobicContact CZ-CG 4.19Å; F56-L60 WeakPolarHBondContact O-CG 3.3Å; F56-L60 PolarHBondContact O-N 3.13Å
57L77.4Confident77.3Confident88 Ų8863 Ų6346%0.46133%0.325SS..Hα-helixtrans-59.2-43.2175.9-175.666.2000111.8N53 F54 G59 L60 I61N53-L57 WeakPolarHBondContact O-CB 3.29Å; N53-L57 PolarHBondContact O-N 3.36Å; F54-L57 PolarHBondContact O-N 3.05Å; L57-G59 VanDerWaalsContact C-N 3.33Å; L57-G59 PolarHBondContact O-N 3.27Å; L57-L60 PolarHBondContact O-N 3.47Å; L57-I61 HydrophobicContact CD1-CD1 4.31Å; L57-I61 HydrophobicContact CG-CD1 3.89Å; L57-I61 VanDerWaalsContact O-CG1 3.31Å; L57-I61 WeakPolarHBondContact O-CG1 3.41Å; L57-I61 PolarHBondContact O-N 3.23Å
58S79.4Confident77.2Confident43 Ų4364.1 Ų64.130%0.30133%0.33SS..Hα-helixtrans-63-38.2177.673.90000112.6F54 L55 F56 I61 M62F54-S58 WeakPolarHBondContact O-CB 3.41Å; F54-S58 PolarHBondContact O-N 3.04Å; F54-S58 PolarHBondContact O-OG 3.19Å; L55-S58 PolarHBondContact O-N 3.49Å; L55-S58 PolarHBondContact O-OG 3.44Å; F56-S58 VanDerWaalsContact C-N 3.33Å; F56-S58 PolarHBondContact O-N 3.42Å; S58-I61 PolarHBondContact O-N 2.86Å; S58-M62 WeakPolarHBondContact O-CB 3.42Å; S58-M62 PolarHBondContact O-N 3.4Å
59G76.5Confident77.3Confident13 Ų1366.1 Ų66.113%0.13434%0.337CS..Hα-helixtrans-64.7-41.8174.400000112.4L55 F56 L57 M62 A63L55-G59 PolarHBondContact O-N 2.87Å; F56-G59 PolarHBondContact O-N 3.31Å; L57-G59 VanDerWaalsContact C-N 3.33Å; L57-G59 PolarHBondContact O-N 3.27Å; G59-M62 PolarHBondContact O-N 2.64Å; G59-A63 WeakPolarHBondContact O-CB 3.27Å; G59-A63 PolarHBondContact O-N 3.05Å
60L75.6Confident77.2Confident64 Ų6463.1 Ų63.134%0.33533%0.327SS..Hα-helixtrans-66.4-41.7176.6-67.6-179.2000112.6F56 L57 A63 S64F56-L60 HydrophobicContact CD1-CD1 3.93Å; F56-L60 HydrophobicContact CD1-CG 4.42Å; F56-L60 HydrophobicContact CE1-CD1 3.43Å; F56-L60 VanDerWaalsContact CE1-CD1 3.43Å; F56-L60 HydrophobicContact CE1-CG 4.08Å; F56-L60 HydrophobicContact CZ-CD1 3.91Å; F56-L60 HydrophobicContact CZ-CD2 4.22Å; F56-L60 HydrophobicContact CZ-CG 4.19Å; F56-L60 WeakPolarHBondContact O-CG 3.3Å; F56-L60 PolarHBondContact O-N 3.13Å; L57-L60 PolarHBondContact O-N 3.47Å; L60-A63 WeakPolarHBondContact O-CB 3.24Å; L60-A63 PolarHBondContact O-N 3.31Å; L60-S64 PolarHBondContact O-N 3.32Å
61I80.8Confident77.1Confident109 Ų10962.5 Ų62.556%0.55932%0.324SS*.Hα-helixtrans-63.6-45.1177.1-67.8164.5000110.3L57 S58 A63 S64 A65L57-I61 HydrophobicContact CD1-CD1 4.31Å; L57-I61 HydrophobicContact CG-CD1 3.89Å; L57-I61 VanDerWaalsContact O-CG1 3.31Å; L57-I61 WeakPolarHBondContact O-CG1 3.41Å; L57-I61 PolarHBondContact O-N 3.23Å; S58-I61 PolarHBondContact O-N 2.86Å; I61-A63 VanDerWaalsContact C-N 3.31Å; I61-A63 PolarHBondContact O-N 2.99Å; I61-S64 PolarHBondContact O-N 3.5Å; I61-A65 PolarHBondContact O-N 3.15Å
62M82Confident77.5Confident33 Ų3361.9 Ų61.916%0.16332%0.32CS..Hα-helixtrans-62.7-39.6176.7-170.766.6-147.800111.8S58 G59 A65 I66 V258 L261 F262 F265S58-M62 WeakPolarHBondContact O-CB 3.42Å; S58-M62 PolarHBondContact O-N 3.4Å; G59-M62 PolarHBondContact O-N 2.64Å; M62-A65 PolarHBondContact O-N 3.3Å; M62-I66 HydrophobicContact CE-CD1 4.12Å; M62-I66 HydrophobicContact CE-CG1 4.05Å; M62-I66 HydrophobicContact CG-CD1 4.33Å; M62-I66 WeakPolarHBondContact O-CG1 3.34Å; M62-I66 PolarHBondContact O-N 3.18Å; M62-V258 HydrophobicContact CE-CG1 4.04Å; M62-L261 HydrophobicContact CE-CB 4.01Å; M62-F262 HydrophobicContact CE-CB 3.92Å; M62-F265 HydrophobicContact CG-CD1 4.48Å
63A74.7Confident77.5Confident6 Ų663.2 Ų63.25%0.0532%0.319CS..Hα-helixtrans-61-46.4175.300000112.2G59 L60 I61 A65 I66 E67 L105G59-A63 WeakPolarHBondContact O-CB 3.27Å; G59-A63 PolarHBondContact O-N 3.05Å; L60-A63 WeakPolarHBondContact O-CB 3.24Å; L60-A63 PolarHBondContact O-N 3.31Å; I61-A63 VanDerWaalsContact C-N 3.31Å; I61-A63 PolarHBondContact O-N 2.99Å; A63-A65 VanDerWaalsContact C-N 3.31Å; A63-A65 PolarHBondContact O-N 2.97Å; A63-I66 PolarHBondContact O-N 3.48Å; A63-E67 PolarHBondContact O-N 3.37Å; A63-L105 HydrophobicContact CB-CD1 4.28Å; A63-L105 HydrophobicContact CB-CD2 3.28Å; A63-L105 HydrophobicContact CB-CG 4.4Å
64S76.9Confident77.5Confident59 Ų5960.5 Ų60.541%0.41330%0.303SS..Hα-helixtrans-60.8-41.2176.9-166.50000111.3L60 I61 I66 E67 E68L60-S64 PolarHBondContact O-N 3.32Å; I61-S64 PolarHBondContact O-N 3.5Å; S64-I66 PolarHBondContact O-N 3.05Å; S64-E67 WeakPolarHBondContact O-CB 3.24Å; S64-E67 PolarHBondContact O-N 3.45Å; S64-E67 VanDerWaalsContact O-N 3.16Å; S64-E68 PolarHBondContact O-N 3.43Å
65A81.9Confident77.5Confident28 Ų2858.8 Ų58.823%0.23130%0.298CS..Hα-helixtrans-60.4-46.3174.900000111.3I61 M62 A63 E67 E68 W69I61-A65 PolarHBondContact O-N 3.15Å; M62-A65 PolarHBondContact O-N 3.3Å; A63-A65 VanDerWaalsContact C-N 3.31Å; A63-A65 PolarHBondContact O-N 2.97Å; A65-E67 PolarHBondContact O-N 3.21Å; A65-E68 PolarHBondContact O-N 2.88Å; A65-W69 PolarHBondContact O-N 3.25Å
66I77.3Confident77.3Confident21 Ų2157 Ų5711%0.10829%0.292CS..Hα-helixtrans-61.1-32.2177-67.1163.1000112.1M62 A63 S64 N70 L71 H72 V258 F262M62-I66 HydrophobicContact CE-CD1 4.12Å; M62-I66 HydrophobicContact CE-CG1 4.05Å; M62-I66 HydrophobicContact CG-CD1 4.33Å; M62-I66 WeakPolarHBondContact O-CG1 3.34Å; M62-I66 PolarHBondContact O-N 3.18Å; A63-I66 PolarHBondContact O-N 3.48Å; S64-I66 PolarHBondContact O-N 3.05Å; I66-N70 PolarHBondContact O-N 3.35Å; I66-L71 HydrophobicContact CG2-CB 4.3Å; I66-L71 HydrophobicContact CG2-CD2 4.37Å; I66-L71 PolarHBondContact O-N 3.49Å; I66-H72 HydrophobicContact CG2-CB 4.32Å; I66-H72 PolarHBondContact O-ND1 3.16Å; I66-V258 HydrophobicContact CG1-CG1 3.83Å; I66-F262 HydrophobicContact CD1-CB 4.08Å; I66-F262 HydrophobicContact CD1-CD2 3.37Å; I66-F262 HydrophobicContact CD1-CE2 3.98Å; I66-F262 HydrophobicContact CD1-CG 3.87Å
67E74.3Confident77.3Confident78 Ų7853.2 Ų53.236%0.36428%0.276SS..Hα-helixtrans-69.7-48.7176.7-168.9171.2178.300112.2A63 S64 A65 W69 N70A63-E67 PolarHBondContact O-N 3.37Å; S64-E67 WeakPolarHBondContact O-CB 3.24Å; S64-E67 PolarHBondContact O-N 3.45Å; S64-E67 VanDerWaalsContact O-N 3.16Å; A65-E67 PolarHBondContact O-N 3.21Å; E67-W69 VanDerWaalsContact C-N 3.27Å; E67-W69 PolarHBondContact O-N 3.44Å; E67-N70 WeakPolarHBondContact O-CA 3.31Å; E67-N70 PolarHBondContact O-N 3.22Å
68E79.9Confident77.3Confident143 Ų14355.4 Ų55.467%0.66828%0.281SS*.Hα-helixtrans-57.3-40.5178.3-74.5-177.3177.300112.3S64 A65 N70S64-E68 PolarHBondContact O-N 3.43Å; A65-E68 PolarHBondContact O-N 2.88Å; E68-N70 PolarHBondContact O-N 3.3Å; E68-N70 PolarHBondContact O-ND2 3.02Å
69W80.9Confident76.9Confident111 Ų11156.6 Ų56.642%0.4228%0.283SS..THydrogen-bonded Turntrans-78.90.5177.4-67.897.5000113.6A65 E67 L71 A254 V258A65-W69 PolarHBondContact O-N 3.25Å; E67-W69 VanDerWaalsContact C-N 3.27Å; E67-W69 PolarHBondContact O-N 3.44Å; W69-L71 PolarHBondContact O-N 2.98Å; W69-A254 HydrophobicContact CD2-CB 4.31Å; W69-A254 HydrophobicContact CE3-CB 3.75Å; W69-A254 HydrophobicContact CH2-CB 3.22Å; W69-A254 HydrophobicContact CZ2-CB 3.81Å; W69-A254 HydrophobicContact CZ3-CB 3.19Å; W69-V258 HydrophobicContact CD2-CG2 4.44Å; W69-V258 HydrophobicContact CG-CG2 3.97Å
70N77.4Confident76.5Confident71 Ų7156.9 Ų56.938%0.3828%0.282SS..THydrogen-bonded Turntrans52.420.2-179.8-73.5-89000114.5I66 E67 E68 H72 R73 R74I66-N70 PolarHBondContact O-N 3.35Å; E67-N70 WeakPolarHBondContact O-CA 3.31Å; E67-N70 PolarHBondContact O-N 3.22Å; E68-N70 PolarHBondContact O-N 3.3Å; E68-N70 PolarHBondContact O-ND2 3.02Å; N70-H72 VanDerWaalsContact C-N 3.26Å; N70-H72 PolarHBondContact O-N 2.93Å; N70-R73 WeakPolarHBondContact O-CB 3.5Å; N70-R73 PolarHBondContact O-N 3.43Å; N70-R74 PolarHBondContact O-N 3.37Å
71L76.9Confident76.4Confident12 Ų1257.4 Ų57.46%0.06328%0.284CS..Hα-helixtrans-61.6-38.2-176.6174.570.7000110.9I66 W69 R73 R74 I75 E255 V258 F259I66-L71 HydrophobicContact CG2-CB 4.3Å; I66-L71 HydrophobicContact CG2-CD2 4.37Å; I66-L71 PolarHBondContact O-N 3.49Å; W69-L71 PolarHBondContact O-N 2.98Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 3.04Å; L71-R74 PolarHBondContact O-N 2.89Å; L71-I75 HydrophobicContact CD1-CD1 4.1Å; L71-I75 HydrophobicContact CD1-CG1 4.42Å; L71-I75 HydrophobicContact CD2-CD1 4.42Å; L71-I75 HydrophobicContact CG-CD1 3.82Å; L71-I75 WeakPolarHBondContact O-CG1 3.4Å; L71-I75 PolarHBondContact O-N 3.3Å; L71-E255 HydrophobicContact CB-CG 4.29Å; L71-E255 HydrophobicContact CD1-CG 3.45Å; L71-E255 VanDerWaalsContact CD1-CG 3.45Å; L71-E255 WeakPolarHBondContact CD1-OE1 3.21Å; L71-E255 HydrophobicContact CG-CG 4.41Å; L71-V258 HydrophobicContact CD2-CG1 4.37Å; L71-F259 HydrophobicContact CD1-CB 4.48Å; L71-F259 HydrophobicContact CD2-CB 3.9Å; L71-F259 HydrophobicContact CD2-CD2 4.13Å
72H78.6Confident76Confident31 Ų3159.5 Ų59.514%0.14430%0.295CS..Hα-helixtrans-56.9-40.4175.166.1-80.5000112.1I66 N70 I75 A76 M113I66-H72 HydrophobicContact CG2-CB 4.32Å; I66-H72 PolarHBondContact O-ND1 3.16Å; N70-H72 VanDerWaalsContact C-N 3.26Å; N70-H72 PolarHBondContact O-N 2.93Å; H72-I75 PolarHBondContact O-N 3.36Å; H72-A76 VanDerWaalsContact O-CB 3.24Å; H72-A76 WeakPolarHBondContact O-CB 3.46Å; H72-A76 PolarHBondContact O-N 3.38Å; H72-M113 HydrophobicContact CB-CE 4.09Å; H72-M113 HydrophobicContact CB-SD 3.83Å
73R73.8Confident75.5Confident79 Ų7960.1 Ų60.130%0.29830%0.301SS..Hα-helixtrans-68.3-41.1178.3-174.2173.2172.7-175.7-1.4111.3N70 L71 A76 L77 E244 L248N70-R73 WeakPolarHBondContact O-CB 3.5Å; N70-R73 PolarHBondContact O-N 3.43Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 3.04Å; R73-A76 PolarHBondContact O-N 3.19Å; R73-L77 HydrophobicContact CG-CD1 4.01Å; R73-L77 HydrophobicContact CG-CG 4.47Å; R73-L77 WeakPolarHBondContact O-CB 3.44Å; R73-L77 VanDerWaalsContact O-CG 3.23Å; R73-L77 WeakPolarHBondContact O-CG 3.48Å; R73-L77 PolarHBondContact O-N 3.21Å; R73-E244 IonicContact CZ-OE2 3.8Å; R73-E244 IonicContact NH2-OE2 2.62Å; R73-E244 PolarHBondContact NH2-OE2 3.49Å; R73-L248 HydrophobicContact CB-CD2 4.2Å; R73-L248 HydrophobicContact CG-CD1 4.46Å; R73-L248 HydrophobicContact CG-CD2 4.02Å
74R77.6Confident74.9Confident23 Ų2360.3 Ų60.39%0.08730%0.303CS..Hα-helixtrans-63.4-46.2175.4-169.5-169.5-79-84.42.5111.5N70 L71 L77 K78 Y245 L248 G249 E255N70-R74 PolarHBondContact O-N 3.37Å; L71-R74 PolarHBondContact O-N 2.89Å; R74-L77 PolarHBondContact O-N 2.85Å; R74-K78 VanDerWaalsContact O-CB 3.31Å; R74-K78 WeakPolarHBondContact O-CB 3.48Å; R74-K78 PolarHBondContact O-N 3.23Å; R74-Y245 HydrophobicContact CG-CE2 3.73Å; R74-Y245 PolarHBondContact NH1-OH 3.07Å; R74-Y245 VanDerWaalsContact NH1-OH 3.08Å; R74-L248 HydrophobicContact CB-CD2 4.45Å; R74-G249 PolarHBondContact NH2-O 2.98Å; R74-E255 WeakPolarHBondContact CD-OE1 3.41Å; R74-E255 IonicContact CZ-OE2 3.79Å; R74-E255 IonicContact NE-OE1 2.88Å; R74-E255 PolarHBondContact NE-OE1 3.22Å; R74-E255 IonicContact NE-OE2 3.2Å; R74-E255 PolarHBondContact NE-OE2 2.97Å; R74-E255 IonicContact NH2-OE2 3.52Å
75I77Confident74.4Confident69 Ų6958 Ų5835%0.35429%0.287SS..Hα-helixtrans-61.9-46.1178.4-66.8168000110.1L71 H72 K78 I79 F259L71-I75 HydrophobicContact CD1-CD1 4.1Å; L71-I75 HydrophobicContact CD1-CG1 4.42Å; L71-I75 HydrophobicContact CD2-CD1 4.42Å; L71-I75 HydrophobicContact CG-CD1 3.82Å; L71-I75 WeakPolarHBondContact O-CG1 3.4Å; L71-I75 PolarHBondContact O-N 3.3Å; H72-I75 PolarHBondContact O-N 3.36Å; I75-K78 PolarHBondContact O-N 3.32Å; I75-I79 HydrophobicContact CG2-CD1 3.6Å; I75-I79 HydrophobicContact CG2-CG1 4.4Å; I75-I79 WeakPolarHBondContact O-CD1 3.35Å; I75-I79 VanDerWaalsContact O-CG1 3.24Å; I75-I79 WeakPolarHBondContact O-CG1 3.35Å; I75-I79 PolarHBondContact O-N 3.41Å; I75-F259 HydrophobicContact CD1-CD2 4.4Å; I75-F259 HydrophobicContact CD1-CE2 4.39Å
76A71.6Confident73.7Confident20 Ų2059 Ų5917%0.16529%0.286CS..Hα-helixtrans-61.1-46.2178.100000112.4H72 R73 K78 I79 L80 I117H72-A76 VanDerWaalsContact O-CB 3.24Å; H72-A76 WeakPolarHBondContact O-CB 3.46Å; H72-A76 PolarHBondContact O-N 3.38Å; R73-A76 PolarHBondContact O-N 3.19Å; A76-K78 VanDerWaalsContact C-N 3.34Å; A76-K78 PolarHBondContact O-N 2.97Å; A76-I79 PolarHBondContact O-N 2.96Å; A76-L80 VanDerWaalsContact O-CB 3.23Å; A76-L80 WeakPolarHBondContact O-CB 3.36Å; A76-L80 PolarHBondContact O-N 2.86Å; A76-I117 HydrophobicContact CB-CD1 3.72Å
77L73.9Confident73.1Confident17 Ų1761.1 Ų61.19%0.08930%0.302CS..Hα-helixtrans-64.1-38.1177.1-70.8169000111.9R73 R74 L80 M81 I241 Y245 L248R73-L77 HydrophobicContact CG-CD1 4.01Å; R73-L77 HydrophobicContact CG-CG 4.47Å; R73-L77 WeakPolarHBondContact O-CB 3.44Å; R73-L77 VanDerWaalsContact O-CG 3.23Å; R73-L77 WeakPolarHBondContact O-CG 3.48Å; R73-L77 PolarHBondContact O-N 3.21Å; R74-L77 PolarHBondContact O-N 2.85Å; L77-L80 PolarHBondContact O-N 3.09Å; L77-M81 WeakPolarHBondContact O-CG 3.38Å; L77-M81 PolarHBondContact O-N 3.26Å; L77-I241 HydrophobicContact CD2-CG2 3.82Å; L77-Y245 HydrophobicContact CB-CD2 3.89Å; L77-Y245 HydrophobicContact CD1-CD2 4.28Å; L77-L248 HydrophobicContact CD1-CD1 3.73Å
78K75.9Confident72.7Confident134 Ų13459 Ų5958%0.58330%0.298SS*.Hα-helixtrans-67.3-41.8177.7-160.5174.2-174.2176.50111.7R74 I75 A76 L80 L82R74-K78 VanDerWaalsContact O-CB 3.31Å; R74-K78 WeakPolarHBondContact O-CB 3.48Å; R74-K78 PolarHBondContact O-N 3.23Å; I75-K78 PolarHBondContact O-N 3.32Å; A76-K78 VanDerWaalsContact C-N 3.34Å; A76-K78 PolarHBondContact O-N 2.97Å; K78-L80 VanDerWaalsContact C-N 3.33Å; K78-L82 WeakPolarHBondContact O-CB 3.4Å; K78-L82 PolarHBondContact O-N 3.25Å
79I70.6Confident72.2Confident67 Ų6757.9 Ų57.934%0.34429%0.287SS..Hα-helixtrans-64-41.6173.1-67.4163.3000110.2I75 A76 M81 L82 V83I75-I79 HydrophobicContact CG2-CD1 3.6Å; I75-I79 HydrophobicContact CG2-CG1 4.4Å; I75-I79 WeakPolarHBondContact O-CD1 3.35Å; I75-I79 VanDerWaalsContact O-CG1 3.24Å; I75-I79 WeakPolarHBondContact O-CG1 3.35Å; I75-I79 PolarHBondContact O-N 3.41Å; A76-I79 PolarHBondContact O-N 2.96Å; I79-M81 PolarHBondContact O-N 3.09Å; I79-L82 PolarHBondContact O-N 2.92Å; I79-L82 VanDerWaalsContact O-N 3.09Å; I79-V83 HydrophobicContact CG2-CG2 3.97Å; I79-V83 WeakPolarHBondContact O-CB 3.24Å; I79-V83 WeakPolarHBondContact O-CG2 3.22Å; I79-V83 PolarHBondContact O-N 3.07Å
80L69.4Low71.7Confident20 Ų2053.3 Ų53.311%0.10527%0.271CS..Hα-helixtrans-64.3-40.1180-179.151.8000112.8A76 L77 K78 L82 G84 L90 I241A76-L80 VanDerWaalsContact O-CB 3.23Å; A76-L80 WeakPolarHBondContact O-CB 3.36Å; A76-L80 PolarHBondContact O-N 2.86Å; L77-L80 PolarHBondContact O-N 3.09Å; K78-L80 VanDerWaalsContact C-N 3.33Å; L80-L82 VanDerWaalsContact C-N 3.28Å; L80-L82 PolarHBondContact O-N 2.9Å; L80-G84 PolarHBondContact O-N 3.33Å; L80-L90 HydrophobicContact CD1-CB 4.28Å; L80-L90 HydrophobicContact CD1-CD1 3.63Å; L80-L90 HydrophobicContact CD1-CD2 4.4Å; L80-L90 HydrophobicContact CD1-CG 3.43Å; L80-L90 VanDerWaalsContact CD1-CG 3.43Å; L80-L90 HydrophobicContact CD2-CD1 4.27Å; L80-L90 HydrophobicContact CD2-CG 4.5Å; L80-I241 HydrophobicContact CD2-CD1 3.51Å; L80-I241 HydrophobicContact CD2-CG1 3.96Å; L80-I241 HydrophobicContact CD2-CG2 4.17Å; L80-I241 HydrophobicContact CG-CD1 3.87Å; L80-I241 HydrophobicContact CG-CG2 4.38Å
81M72.1Confident71.4Confident75 Ų7553.1 Ų53.137%0.36927%0.269SS..Hα-helixtrans-65.4-31.4172.4-72.2-166.2-65.100112.6L77 I79 I241 Y245L77-M81 WeakPolarHBondContact O-CG 3.38Å; L77-M81 PolarHBondContact O-N 3.26Å; I79-M81 PolarHBondContact O-N 3.09Å; M81-I241 HydrophobicContact CG-CG2 4.08Å; M81-Y245 HydrophobicContact CE-CD1 4.26Å; M81-Y245 HydrophobicContact CE-CD2 4.12Å; M81-Y245 HydrophobicContact CE-CE1 4.47Å; M81-Y245 HydrophobicContact CE-CE2 4.31Å; M81-Y245 HydrophobicContact CE-CG 4.08Å
82L74.4Confident71.2Confident153 Ų15355.1 Ų55.180%0.80128%0.279SS*.Hα-helixtrans-79.2-40.5-179.4-164.2152.1000112.5K78 I79 L80K78-L82 WeakPolarHBondContact O-CB 3.4Å; K78-L82 PolarHBondContact O-N 3.25Å; I79-L82 PolarHBondContact O-N 2.92Å; I79-L82 VanDerWaalsContact O-N 3.09Å; L80-L82 VanDerWaalsContact C-N 3.28Å; L80-L82 PolarHBondContact O-N 2.9Å
83V70.3Confident70.8Confident46 Ų4654.3 Ų54.328%0.27928%0.28SS..Hα-helixtrans-76.1-24.5-178168.50000112.5I79 R89I79-V83 HydrophobicContact CG2-CG2 3.97Å; I79-V83 WeakPolarHBondContact O-CB 3.24Å; I79-V83 WeakPolarHBondContact O-CG2 3.22Å; I79-V83 PolarHBondContact O-N 3.07Å; V83-R89 HydrophobicContact CG1-CB 3.61Å; V83-R89 WeakPolarHBondContact O-CD 3.37Å
84G63.3Low70.4Confident9 Ų951.5 Ų51.59%0.09327%0.27CS..  trans90157.8178.200000113.4L80 Q86L80-G84 PolarHBondContact O-N 3.33Å; G84-Q86 PolarHBondContact O-N 3.46Å; G84-Q86 VanDerWaalsContact O-N 3.13Å
85V65.6Low69.9Low12 Ų1253.3 Ų53.37%0.07328%0.28CS..SBendtrans-89.828.3-165.1-1730000113.7A237 R238 I241V85-A237 HydrophobicContact CG1-CB 3.29Å; V85-R238 HydrophobicContact CB-CG 3.78Å; V85-R238 HydrophobicContact CG1-CG 4.42Å; V85-R238 HydrophobicContact CG2-CB 4.25Å; V85-R238 HydrophobicContact CG2-CG 3.18Å; V85-I241 HydrophobicContact CG1-CD1 4.25Å; V85-I241 HydrophobicContact CG2-CD1 3.94Å
86Q67.4Low69.6Low47 Ų4753.7 Ų53.722%0.2229%0.286CS..  trans-77.7126.4169.4-82176.7-29.600109.6G84 A88 R89 L90 E234G84-Q86 PolarHBondContact O-N 3.46Å; G84-Q86 VanDerWaalsContact O-N 3.13Å; Q86-A88 PolarHBondContact O-N 2.98Å; Q86-A88 VanDerWaalsContact O-N 3.07Å; Q86-R89 HydrophobicContact CB-CB 4.37Å; Q86-R89 HydrophobicContact CB-CG 4.18Å; Q86-R89 PolarHBondContact O-N 2.98Å; Q86-R89 VanDerWaalsContact OE1-CZ 3.29Å; Q86-R89 VanDerWaalsContact OE1-NE 3.14Å; Q86-L90 PolarHBondContact O-N 3.38Å; Q86-E234 VanDerWaalsContact CG-OE1 3.29Å; Q86-E234 WeakPolarHBondContact CG-OE1 3.06Å
87P64.8Low69.3Low67 Ų6754.9 Ų54.944%0.43529%0.291SS..Hα-helixtrans-56-33.3-17518.7-31.1000113.1I91P87-I91 WeakPolarHBondContact O-CD1 3.5Å; P87-I91 VanDerWaalsContact O-CG1 3.24Å; P87-I91 WeakPolarHBondContact O-CG1 3.45Å; P87-I91 PolarHBondContact O-N 3.44Å; P87-I91 VanDerWaalsContact O-N 3.09Å
88A66.4Low69Low34 Ų3456 Ų5628%0.28130%0.298SS..Hα-helixtrans-66.6-41175.200000113.4Q86 L92Q86-A88 PolarHBondContact O-N 2.98Å; Q86-A88 VanDerWaalsContact O-N 3.07Å; A88-L92 PolarHBondContact O-N 2.92Å; A88-L92 VanDerWaalsContact O-N 3.14Å
89R68.6Low68.5Low119 Ų11952 Ų5245%0.44929%0.288SS..Hα-helixtrans-74.7-31.5178.5-63.3-172.6-176.8173.22.2112V83 Q86 L92 G93V83-R89 HydrophobicContact CG1-CB 3.61Å; V83-R89 WeakPolarHBondContact O-CD 3.37Å; Q86-R89 HydrophobicContact CB-CB 4.37Å; Q86-R89 HydrophobicContact CB-CG 4.18Å; Q86-R89 PolarHBondContact O-N 2.98Å; Q86-R89 VanDerWaalsContact OE1-CZ 3.29Å; Q86-R89 VanDerWaalsContact OE1-NE 3.14Å; R89-L92 PolarHBondContact O-N 3.44Å; R89-G93 PolarHBondContact O-N 3.44Å
90L70Confident68.3Low15 Ų1554.7 Ų54.78%0.07930%0.297CS..Hα-helixtrans-63.1-49.1174.6-157.7160.7000110.9L80 Q86 L92 G93 M94 I117 I121L80-L90 HydrophobicContact CD1-CB 4.28Å; L80-L90 HydrophobicContact CD1-CD1 3.63Å; L80-L90 HydrophobicContact CD1-CD2 4.4Å; L80-L90 HydrophobicContact CD1-CG 3.43Å; L80-L90 VanDerWaalsContact CD1-CG 3.43Å; L80-L90 HydrophobicContact CD2-CD1 4.27Å; L80-L90 HydrophobicContact CD2-CG 4.5Å; Q86-L90 PolarHBondContact O-N 3.38Å; L90-L92 VanDerWaalsContact C-N 3.3Å; L90-L92 PolarHBondContact O-N 3.03Å; L90-G93 PolarHBondContact O-N 3.34Å; L90-M94 HydrophobicContact CD2-CG 4.02Å; L90-M94 WeakPolarHBondContact O-CG 3.47Å; L90-M94 PolarHBondContact O-N 3.44Å; L90-I117 HydrophobicContact CD2-CG2 4.25Å; L90-I121 HydrophobicContact CD1-CD1 4.37Å; L90-I121 HydrophobicContact CD1-CG1 3.89Å; L90-I121 HydrophobicContact CD2-CD1 3.23Å; L90-I121 HydrophobicContact CD2-CG1 3.68Å; L90-I121 HydrophobicContact CG-CD1 4.38Å; L90-I121 HydrophobicContact CG-CG1 4.43Å
91I72Confident68Low66 Ų6655.7 Ų55.734%0.33830%0.302SS..Hα-helixtrans-60.4-40.6174.5-66.6163.9000110.9P87 M94 M95P87-I91 WeakPolarHBondContact O-CD1 3.5Å; P87-I91 VanDerWaalsContact O-CG1 3.24Å; P87-I91 WeakPolarHBondContact O-CG1 3.45Å; P87-I91 PolarHBondContact O-N 3.44Å; P87-I91 VanDerWaalsContact O-N 3.09Å; I91-M94 PolarHBondContact O-N 3Å; I91-M95 HydrophobicContact CG2-CE 3.77Å; I91-M95 HydrophobicContact CG2-CG 4.4Å; I91-M95 HydrophobicContact CG2-SD 4.11Å; I91-M95 WeakPolarHBondContact O-CB 3.42Å; I91-M95 VanDerWaalsContact O-CG 3.29Å; I91-M95 WeakPolarHBondContact O-CG 3.29Å; I91-M95 PolarHBondContact O-N 2.89Å
92L71.4Confident67.5Low54 Ų5454.6 Ų54.628%0.28330%0.302SS..Hα-helixtrans-62-45.9176.7-165.3161.5000111.6A88 R89 L90 M94 M95 V96A88-L92 PolarHBondContact O-N 2.92Å; A88-L92 VanDerWaalsContact O-N 3.14Å; R89-L92 PolarHBondContact O-N 3.44Å; L90-L92 VanDerWaalsContact C-N 3.3Å; L90-L92 PolarHBondContact O-N 3.03Å; L92-M94 PolarHBondContact O-N 3.34Å; L92-M95 PolarHBondContact O-N 3.39Å; L92-V96 HydrophobicContact CD2-CG2 3.84Å; L92-V96 WeakPolarHBondContact O-CG2 3.35Å; L92-V96 PolarHBondContact O-N 3.26Å
93G70.8Confident66.7Low15 Ų1554.4 Ų54.416%0.15530%0.299CS..Hα-helixtrans-59-46.8175.200000112.2R89 L90 M95 V96 T97R89-G93 PolarHBondContact O-N 3.44Å; L90-G93 PolarHBondContact O-N 3.34Å; G93-M95 VanDerWaalsContact C-N 3.31Å; G93-M95 PolarHBondContact O-N 3.48Å; G93-V96 PolarHBondContact O-N 3.48Å; G93-T97 WeakPolarHBondContact O-CB 3.44Å; G93-T97 PolarHBondContact O-N 3.26Å; G93-T97 PolarHBondContact O-OG1 3.45Å; G93-T97 VanDerWaalsContact O-OG1 3.05Å
94M65.3Low66Low20 Ų2056 Ų5610%0.09930%0.3CS..Hα-helixtrans-59.6-41.8176.2-72-57.2-69.600112.7L90 I91 L92 T98 M114 I117L90-M94 HydrophobicContact CD2-CG 4.02Å; L90-M94 WeakPolarHBondContact O-CG 3.47Å; L90-M94 PolarHBondContact O-N 3.44Å; I91-M94 PolarHBondContact O-N 3Å; L92-M94 PolarHBondContact O-N 3.34Å; M94-T98 VanDerWaalsContact O-CB 3.29Å; M94-T98 WeakPolarHBondContact O-CB 3.48Å; M94-T98 PolarHBondContact O-N 3.29Å; M94-T98 PolarHBondContact O-OG1 3.44Å; M94-M114 HydrophobicContact CB-CE 4.03Å; M94-M114 HydrophobicContact CE-CB 3.71Å; M94-M114 HydrophobicContact CE-CE 4Å; M94-M114 HydrophobicContact CE-CG 3.35Å; M94-M114 HydrophobicContact CE-SD 3.8Å; M94-M114 HydrophobicContact CG-CE 4.5Å; M94-I117 HydrophobicContact CE-CB 3.84Å; M94-I117 HydrophobicContact CE-CD1 3.7Å; M94-I117 HydrophobicContact CE-CG1 4.35Å; M94-I117 HydrophobicContact CE-CG2 3.96Å; M94-I117 HydrophobicContact CG-CG2 4.2Å; M94-I117 HydrophobicContact SD-CB 3.99Å; M94-I117 HydrophobicContact SD-CD1 3.48Å; M94-I117 WeakPolarHBondContact SD-CD1 3.25Å; M94-I117 HydrophobicContact SD-CG1 4.31Å; M94-I117 HydrophobicContact SD-CG2 3.54Å; M94-I117 VanDerWaalsContact SD-CG2 3.54Å
95M67.1Low65.6Low60 Ų6056.7 Ų56.730%0.29630%0.302SS..Hα-helixtrans-62.4-55.7175.2-77.6-176.1176.900110.4I91 L92 G93 T97 T98 S99 W207 I210I91-M95 HydrophobicContact CG2-CE 3.77Å; I91-M95 HydrophobicContact CG2-CG 4.4Å; I91-M95 HydrophobicContact CG2-SD 4.11Å; I91-M95 WeakPolarHBondContact O-CB 3.42Å; I91-M95 VanDerWaalsContact O-CG 3.29Å; I91-M95 WeakPolarHBondContact O-CG 3.29Å; I91-M95 PolarHBondContact O-N 2.89Å; L92-M95 PolarHBondContact O-N 3.39Å; G93-M95 VanDerWaalsContact C-N 3.31Å; G93-M95 PolarHBondContact O-N 3.48Å; M95-T97 VanDerWaalsContact C-N 3.29Å; M95-T97 PolarHBondContact O-N 3.35Å; M95-T98 WeakPolarHBondContact O-CA 3.29Å; M95-T98 WeakPolarHBondContact O-CB 3.38Å; M95-T98 PolarHBondContact O-N 2.95Å; M95-S99 PolarHBondContact O-N 3.2Å; M95-W207 HydrophobicContact CB-CH2 3.49Å; M95-W207 VanDerWaalsContact CB-CH2 3.49Å; M95-W207 HydrophobicContact CB-CZ3 3.58Å; M95-W207 HydrophobicContact CG-CH2 4.16Å; M95-W207 WeakPolarHBondContact O-CH2 3.44Å; M95-W207 VanDerWaalsContact O-CZ3 3.26Å; M95-W207 WeakPolarHBondContact O-CZ3 3.4Å; M95-I210 HydrophobicContact SD-CG2 4.28Å
96V71.1Confident65.3Low77 Ų7758 Ų5847%0.46731%0.311SS..Hα-helixtrans-55.8-44.5-178.7171.70000111.9L92 G93 T98 S99 F100L92-V96 HydrophobicContact CD2-CG2 3.84Å; L92-V96 WeakPolarHBondContact O-CG2 3.35Å; L92-V96 PolarHBondContact O-N 3.26Å; G93-V96 PolarHBondContact O-N 3.48Å; V96-T98 PolarHBondContact O-N 3.06Å; V96-S99 PolarHBondContact O-N 2.94Å; V96-F100 PolarHBondContact O-N 2.94Å; V96-F100 VanDerWaalsContact O-N 3.07Å
97T65.2Low65.2Low46 Ų4660.2 Ų60.228%0.28232%0.324SS..Hα-helixtrans-62.4-42.5176.2-59.40000111.8G93 M95 S99 F100 L101G93-T97 WeakPolarHBondContact O-CB 3.44Å; G93-T97 PolarHBondContact O-N 3.26Å; G93-T97 PolarHBondContact O-OG1 3.45Å; G93-T97 VanDerWaalsContact O-OG1 3.05Å; M95-T97 VanDerWaalsContact C-N 3.29Å; M95-T97 PolarHBondContact O-N 3.35Å; T97-S99 PolarHBondContact O-N 2.98Å; T97-F100 PolarHBondContact O-N 3.31Å; T97-L101 HydrophobicContact CG2-CD1 3.58Å; T97-L101 HydrophobicContact CG2-CG 4.39Å; T97-L101 WeakPolarHBondContact O-CB 3.29Å; T97-L101 WeakPolarHBondContact O-CD1 3.37Å; T97-L101 VanDerWaalsContact O-CG 3.25Å; T97-L101 WeakPolarHBondContact O-CG 3.34Å; T97-L101 PolarHBondContact O-N 2.96Å
98T67.6Low64.8Low39 Ų3962.2 Ų62.224%0.23934%0.336CS..Hα-helixtrans-65.4-37.2177.3-57.60000112.5M94 M95 V96 S102M94-T98 VanDerWaalsContact O-CB 3.29Å; M94-T98 WeakPolarHBondContact O-CB 3.48Å; M94-T98 PolarHBondContact O-N 3.29Å; M94-T98 PolarHBondContact O-OG1 3.44Å; M95-T98 WeakPolarHBondContact O-CA 3.29Å; M95-T98 WeakPolarHBondContact O-CB 3.38Å; M95-T98 PolarHBondContact O-N 2.95Å; V96-T98 PolarHBondContact O-N 3.06Å; T98-S102 WeakPolarHBondContact O-CB 3.41Å; T98-S102 PolarHBondContact O-N 3Å
99S65.4Low64.3Low51 Ų5161.5 Ų61.536%0.35733%0.33SS..Hα-helixtrans-67.1-44.8177.4-177.50000111.6M95 V96 T97 S102 M103M95-S99 PolarHBondContact O-N 3.2Å; V96-S99 PolarHBondContact O-N 2.94Å; T97-S99 PolarHBondContact O-N 2.98Å; S99-S102 PolarHBondContact O-N 3.05Å; S99-M103 PolarHBondContact O-N 3.24Å
100F67.3Low64Low123 Ų12356.1 Ų56.154%0.53931%0.31SS..Hα-helixtrans-66.1-43.9176.7-167-98.3000110.9V96 T97 M103V96-F100 PolarHBondContact O-N 2.94Å; V96-F100 VanDerWaalsContact O-N 3.07Å; T97-F100 PolarHBondContact O-N 3.31Å; F100-M103 PolarHBondContact O-N 3.32Å
101L61.6Low63.6Low41 Ų4160.1 Ų60.122%0.21534%0.336CS..Hα-helixtrans-65-40.5176.2-71.6162.4000112T97 M103 W104 L105 M113T97-L101 HydrophobicContact CG2-CD1 3.58Å; T97-L101 HydrophobicContact CG2-CG 4.39Å; T97-L101 WeakPolarHBondContact O-CB 3.29Å; T97-L101 WeakPolarHBondContact O-CD1 3.37Å; T97-L101 VanDerWaalsContact O-CG 3.25Å; T97-L101 WeakPolarHBondContact O-CG 3.34Å; T97-L101 PolarHBondContact O-N 2.96Å; L101-M103 PolarHBondContact O-N 3.49Å; L101-W104 CarbonylContact O-C 3.41Å; L101-W104 PolarHBondContact O-N 2.96Å; L101-L105 HydrophobicContact CB-CD1 4.31Å; L101-L105 HydrophobicContact CD2-CD1 3.52Å; L101-L105 HydrophobicContact CD2-CG 4.28Å; L101-L105 HydrophobicContact CG-CD1 4.46Å; L101-L105 WeakPolarHBondContact O-CA 3.5Å; L101-L105 VanDerWaalsContact O-CB 3.25Å; L101-L105 WeakPolarHBondContact O-CB 3.37Å; L101-L105 PolarHBondContact O-N 3.26Å; L101-M113 HydrophobicContact CD1-SD 4.17Å
102S61.9Low63.2Low52 Ų5259.2 Ų59.236%0.36434%0.338SS..Hα-helixtrans-63.6-24179.9-179.60000113.6T98 S99 W104 N107T98-S102 WeakPolarHBondContact O-CB 3.41Å; T98-S102 PolarHBondContact O-N 3Å; S99-S102 PolarHBondContact O-N 3.05Å; S102-W104 VanDerWaalsContact C-N 3.28Å; S102-N107 PolarHBondContact OG-OD1 3.3Å
103M58.1Low62.9Low149 Ų14957.4 Ų57.473%0.73433%0.328SS*.Hα-helixtrans-73.2-22.1174179.7168.9158.900112.8S99 F100 L101S99-M103 PolarHBondContact O-N 3.24Å; F100-M103 PolarHBondContact O-N 3.32Å; L101-M103 PolarHBondContact O-N 3.49Å
104W56.2Low62.6Low79 Ų7960.3 Ų60.330%0.29934%0.339SS..Hα-helixtrans-119.2-24.1-174.5-62.775000113.3L101 S102 A266 L269L101-W104 CarbonylContact O-C 3.41Å; L101-W104 PolarHBondContact O-N 2.96Å; S102-W104 VanDerWaalsContact C-N 3.28Å; W104-A266 HydrophobicContact CH2-CB 4.12Å; W104-A266 HydrophobicContact CZ3-CB 4.02Å; W104-L269 HydrophobicContact CE3-CD1 3.98Å; W104-L269 HydrophobicContact CZ3-CB 4.02Å; W104-L269 HydrophobicContact CZ3-CD1 3.6Å; W104-L269 HydrophobicContact CZ3-CG 4.49Å
105L53.7Low62.5Low25 Ų2564.5 Ų64.513%0.13136%0.361CS..SBendtrans-120.5152.6-175-59.7-172.1000111.2A63 L101 A109 M113A63-L105 HydrophobicContact CB-CD1 4.28Å; A63-L105 HydrophobicContact CB-CD2 3.28Å; A63-L105 HydrophobicContact CB-CG 4.4Å; L101-L105 HydrophobicContact CB-CD1 4.31Å; L101-L105 HydrophobicContact CD2-CD1 3.52Å; L101-L105 HydrophobicContact CD2-CG 4.28Å; L101-L105 HydrophobicContact CG-CD1 4.46Å; L101-L105 WeakPolarHBondContact O-CA 3.5Å; L101-L105 VanDerWaalsContact O-CB 3.25Å; L101-L105 WeakPolarHBondContact O-CB 3.37Å; L101-L105 PolarHBondContact O-N 3.26Å; L105-A109 HydrophobicContact CB-CB 4.39Å; L105-A109 HydrophobicContact CD1-CB 4.4Å; L105-M113 HydrophobicContact CD1-CE 4.42Å
106S59.7Low62.3Low40 Ų4064.2 Ų64.228%0.2836%0.363SS..  trans-58.3140.1167.8173.40000110.9T108 A109S106-T108 PolarHBondContact O-N 2.98Å; S106-A109 WeakPolarHBondContact O-CB 3.44Å; S106-A109 PolarHBondContact O-N 2.67Å
107N64.1Low61.9Low92 Ų9261.7 Ų61.749%0.49235%0.347SS..Hα-helixtrans-54.7-25.4179.1-61.2-46.4000113.4S102 T111S102-N107 PolarHBondContact OG-OD1 3.3Å; N107-T111 PolarHBondContact O-N 2.89Å; N107-T111 PolarHBondContact O-OG1 3.49Å
108T57.8Low62Low109 Ų10961 Ų6167%0.66935%0.346SS*.Hα-helixtrans-65.9-41.7175-45.50000112.1S106 T111 A112S106-T108 PolarHBondContact O-N 2.98Å; T108-T111 PolarHBondContact O-N 3.37Å; T108-A112 PolarHBondContact O-N 3.36Å
109A56.5Low62Low19 Ų1963.4 Ų63.416%0.15736%0.357CS..Hα-helixtrans-67.6-39.6-179.900000111.7L105 S106 T111 A112 M113L105-A109 HydrophobicContact CB-CB 4.39Å; L105-A109 HydrophobicContact CD1-CB 4.4Å; S106-A109 WeakPolarHBondContact O-CB 3.44Å; S106-A109 PolarHBondContact O-N 2.67Å; A109-T111 VanDerWaalsContact C-N 3.25Å; A109-T111 PolarHBondContact O-N 3.39Å; A109-A112 PolarHBondContact O-N 3.27Å; A109-M113 WeakPolarHBondContact O-CG 3.21Å; A109-M113 PolarHBondContact O-N 3.14Å
110S61.8Low61.9Low6 Ų662.6 Ų62.64%0.04235%0.353CS..Hα-helixtrans-62.4-33.2176.4-58.40000112.8M114S110-M114 WeakPolarHBondContact O-CB 3.22Å; S110-M114 PolarHBondContact O-N 3.26Å
111T61.9Low61.6Low100 Ų10058.7 Ų58.761%0.61334%0.338SS*.Hα-helixtrans-73.4-40.3179.5-52.70000111.4N107 T108 A109 M113 M114 L115N107-T111 PolarHBondContact O-N 2.89Å; N107-T111 PolarHBondContact O-OG1 3.49Å; T108-T111 PolarHBondContact O-N 3.37Å; A109-T111 VanDerWaalsContact C-N 3.25Å; A109-T111 PolarHBondContact O-N 3.39Å; T111-M113 PolarHBondContact O-N 2.79Å; T111-M114 PolarHBondContact O-N 3.25Å; T111-L115 PolarHBondContact O-N 3.19Å
112A62.3Low61.8Low46 Ų4660.7 Ų60.738%0.3835%0.348SS..Hα-helixtrans-61.3-43176.500000112.1T108 A109 M114 L115 P116T108-A112 PolarHBondContact O-N 3.36Å; A109-A112 PolarHBondContact O-N 3.27Å; A112-M114 VanDerWaalsContact C-N 3.29Å; A112-M114 PolarHBondContact O-N 3.3Å; A112-L115 WeakPolarHBondContact O-CB 3.38Å; A112-L115 PolarHBondContact O-N 2.91Å; A112-P116 VanDerWaalsContact O-CD 3.25Å; A112-P116 WeakPolarHBondContact O-CD 3.41Å
113M65.3Low61.9Low16 Ų1664.9 Ų64.98%0.07936%0.36CS..Hα-helixtrans-67.3-26.9177.3-65.3-176.4-18000113.6H72 L101 L105 A109 T111 P116H72-M113 HydrophobicContact CB-CE 4.09Å; H72-M113 HydrophobicContact CB-SD 3.83Å; L101-M113 HydrophobicContact CD1-SD 4.17Å; L105-M113 HydrophobicContact CD1-CE 4.42Å; A109-M113 WeakPolarHBondContact O-CG 3.21Å; A109-M113 PolarHBondContact O-N 3.14Å; T111-M113 PolarHBondContact O-N 2.79Å; M113-P116 WeakPolarHBondContact O-CD 3.33Å; M113-P116 WeakPolarHBondContact O-CG 3.31Å
114M64.4Low61.9Low77 Ų7760.1 Ų60.138%0.37934%0.342SS..Hα-helixtrans-80.3-24.7-179.5178.5151.5-167.200112.9M94 S110 T111 A112 I117 A118M94-M114 HydrophobicContact CB-CE 4.03Å; M94-M114 HydrophobicContact CE-CB 3.71Å; M94-M114 HydrophobicContact CE-CE 4Å; M94-M114 HydrophobicContact CE-CG 3.35Å; M94-M114 HydrophobicContact CE-SD 3.8Å; M94-M114 HydrophobicContact CG-CE 4.5Å; S110-M114 WeakPolarHBondContact O-CB 3.22Å; S110-M114 PolarHBondContact O-N 3.26Å; T111-M114 PolarHBondContact O-N 3.25Å; A112-M114 VanDerWaalsContact C-N 3.29Å; A112-M114 PolarHBondContact O-N 3.3Å; M114-I117 PolarHBondContact O-N 3.44Å; M114-A118 WeakPolarHBondContact O-CB 3.38Å; M114-A118 PolarHBondContact O-N 2.96Å
115L63.4Low62.2Low107 Ų10761.6 Ų61.656%0.5636%0.355SS*.Hα-helixtrans-57.2-50-179.3-168.864.8000114.2T111 A112 I117 A118 N119T111-L115 PolarHBondContact O-N 3.19Å; A112-L115 WeakPolarHBondContact O-CB 3.38Å; A112-L115 PolarHBondContact O-N 2.91Å; L115-I117 VanDerWaalsContact C-N 3.3Å; L115-I117 PolarHBondContact O-N 3.28Å; L115-A118 PolarHBondContact O-N 2.89Å; L115-N119 PolarHBondContact O-N 3.29Å
116P63.2Low62.8Low54 Ų5467.3 Ų67.335%0.35138%0.379SS..Hα-helixtrans-64.9-34.2179.124.1-34.3000112.7A112 M113 N119 A120A112-P116 VanDerWaalsContact O-CD 3.25Å; A112-P116 WeakPolarHBondContact O-CD 3.41Å; M113-P116 WeakPolarHBondContact O-CD 3.33Å; M113-P116 WeakPolarHBondContact O-CG 3.31Å; P116-N119 PolarHBondContact O-N 3.11Å; P116-A120 PolarHBondContact O-N 3.44Å
117I63.7Low62.4Low25 Ų2568.2 Ų68.213%0.12839%0.394CS..Hα-helixtrans-72.8-41.5179.1-59.3167.2000110.3A76 L90 M94 M114 L115 N119 A120 I121A76-I117 HydrophobicContact CB-CD1 3.72Å; L90-I117 HydrophobicContact CD2-CG2 4.25Å; M94-I117 HydrophobicContact CE-CB 3.84Å; M94-I117 HydrophobicContact CE-CD1 3.7Å; M94-I117 HydrophobicContact CE-CG1 4.35Å; M94-I117 HydrophobicContact CE-CG2 3.96Å; M94-I117 HydrophobicContact CG-CG2 4.2Å; M94-I117 HydrophobicContact SD-CB 3.99Å; M94-I117 HydrophobicContact SD-CD1 3.48Å; M94-I117 WeakPolarHBondContact SD-CD1 3.25Å; M94-I117 HydrophobicContact SD-CG1 4.31Å; M94-I117 HydrophobicContact SD-CG2 3.54Å; M94-I117 VanDerWaalsContact SD-CG2 3.54Å; M114-I117 PolarHBondContact O-N 3.44Å; L115-I117 VanDerWaalsContact C-N 3.3Å; L115-I117 PolarHBondContact O-N 3.28Å; I117-N119 VanDerWaalsContact C-N 3.29Å; I117-N119 PolarHBondContact O-N 3.29Å; I117-A120 PolarHBondContact O-N 2.83Å; I117-I121 HydrophobicContact CG2-CD1 4.17Å; I117-I121 WeakPolarHBondContact O-CD1 3.41Å; I117-I121 VanDerWaalsContact O-CG1 3.24Å; I117-I121 WeakPolarHBondContact O-CG1 3.49Å; I117-I121 PolarHBondContact O-N 3.33Å
118A66.2Low61.4Low31 Ų3172.2 Ų72.226%0.25641%0.41SS..Hα-helixtrans-57.2-44.4172.400000111.3M114 L115 A120 I121 L122M114-A118 WeakPolarHBondContact O-CB 3.38Å; M114-A118 PolarHBondContact O-N 2.96Å; L115-A118 PolarHBondContact O-N 2.89Å; A118-A120 PolarHBondContact O-N 3.46Å; A118-I121 PolarHBondContact O-N 2.87Å; A118-L122 WeakPolarHBondContact O-CB 3.34Å; A118-L122 WeakPolarHBondContact O-CD1 3.48Å; A118-L122 PolarHBondContact O-N 3.44Å
119N66.9Low60.7Low90 Ų9075.2 Ų75.248%0.48141%0.414SS..Hα-helixtrans-62.5-40.6176.6-73.4-9.6000112.6L115 P116 I117 I121 L122 K123L115-N119 PolarHBondContact O-N 3.29Å; P116-N119 PolarHBondContact O-N 3.11Å; I117-N119 VanDerWaalsContact C-N 3.29Å; I117-N119 PolarHBondContact O-N 3.29Å; N119-I121 PolarHBondContact O-N 3.35Å; N119-L122 PolarHBondContact O-N 3.34Å; N119-K123 WeakPolarHBondContact O-CB 3.5Å; N119-K123 PolarHBondContact O-N 3.31Å
120A63.2Low59.8Low33 Ų3382 Ų8227%0.27344%0.442SS..Hα-helixtrans-64.2-37.8175.900000112.8P116 I117 A118 S124P116-A120 PolarHBondContact O-N 3.44Å; I117-A120 PolarHBondContact O-N 2.83Å; A118-A120 PolarHBondContact O-N 3.46Å; A120-S124 PolarHBondContact O-N 3.47Å; A120-S124 VanDerWaalsContact O-N 3.08Å; A120-S124 PolarHBondContact O-OG 2.85Å
121I62.9Low58.8Low41 Ų4188.4 Ų88.421%0.2148%0.481CS..Hα-helixtrans-69.7-45.7175.2-58.7157.6000110.5L90 I117 A118 N119 K123 S124 L125L90-I121 HydrophobicContact CD1-CD1 4.37Å; L90-I121 HydrophobicContact CD1-CG1 3.89Å; L90-I121 HydrophobicContact CD2-CD1 3.23Å; L90-I121 HydrophobicContact CD2-CG1 3.68Å; L90-I121 HydrophobicContact CG-CD1 4.38Å; L90-I121 HydrophobicContact CG-CG1 4.43Å; I117-I121 HydrophobicContact CG2-CD1 4.17Å; I117-I121 WeakPolarHBondContact O-CD1 3.41Å; I117-I121 VanDerWaalsContact O-CG1 3.24Å; I117-I121 WeakPolarHBondContact O-CG1 3.49Å; I117-I121 PolarHBondContact O-N 3.33Å; A118-I121 PolarHBondContact O-N 2.87Å; N119-I121 PolarHBondContact O-N 3.35Å; I121-K123 VanDerWaalsContact C-N 3.29Å; I121-K123 PolarHBondContact O-N 3.5Å; I121-S124 CarbonylContact O-C 3.56Å; I121-S124 WeakPolarHBondContact O-CA 3.26Å; I121-S124 PolarHBondContact O-N 3.48Å; I121-L125 HydrophobicContact CG2-CD1 3.68Å; I121-L125 HydrophobicContact CG2-CG 4.06Å; I121-L125 WeakPolarHBondContact O-CB 3.39Å; I121-L125 WeakPolarHBondContact O-CG 3.25Å; I121-L125 PolarHBondContact O-N 3.05Å
122L65.1Low57.8Low84 Ų8493.2 Ų93.244%0.4449%0.488SS..Hα-helixtrans-55.9-46176.1-87.5150.1000110.3A118 N119 S124 L125 F126A118-L122 WeakPolarHBondContact O-CB 3.34Å; A118-L122 WeakPolarHBondContact O-CD1 3.48Å; A118-L122 PolarHBondContact O-N 3.44Å; N119-L122 PolarHBondContact O-N 3.34Å; L122-S124 VanDerWaalsContact C-N 3.29Å; L122-S124 PolarHBondContact O-N 3.24Å; L122-L125 PolarHBondContact O-N 2.96Å; L122-F126 HydrophobicContact CD2-CD2 3.71Å; L122-F126 HydrophobicContact CD2-CE2 3.6Å; L122-F126 WeakPolarHBondContact O-CB 3.12Å; L122-F126 WeakPolarHBondContact O-CD2 3.38Å; L122-F126 PolarHBondContact O-N 2.94Å
123K63.7Low56.1Low140 Ų14099.2 Ų99.261%0.60951%0.505SS*.Hα-helixtrans-60.8-37174.4-168.1177.7-178-1770112.4N119 I121 G127N119-K123 WeakPolarHBondContact O-CB 3.5Å; N119-K123 PolarHBondContact O-N 3.31Å; I121-K123 VanDerWaalsContact C-N 3.29Å; I121-K123 PolarHBondContact O-N 3.5Å; K123-G127 WeakPolarHBondContact O-CA 2.89Å; K123-G127 PolarHBondContact O-N 3Å
124S59.2Low54.1Low49 Ų49103.4 Ų103.434%0.34353%0.528SS..Hα-helixtrans-75.9-32.5179-58.40000113.7A120 I121 L122A120-S124 PolarHBondContact O-N 3.47Å; A120-S124 VanDerWaalsContact O-N 3.08Å; A120-S124 PolarHBondContact O-OG 2.85Å; I121-S124 CarbonylContact O-C 3.56Å; I121-S124 WeakPolarHBondContact O-CA 3.26Å; I121-S124 PolarHBondContact O-N 3.48Å; L122-S124 VanDerWaalsContact C-N 3.29Å; L122-S124 PolarHBondContact O-N 3.24Å
125L62.4Low52.3Low110 Ų110105.9 Ų105.958%0.57655%0.55SS*.Hα-helixtrans-86-37.3-179.4-69.6178.6000113.1I121 L122I121-L125 HydrophobicContact CG2-CD1 3.68Å; I121-L125 HydrophobicContact CG2-CG 4.06Å; I121-L125 WeakPolarHBondContact O-CB 3.39Å; I121-L125 WeakPolarHBondContact O-CG 3.25Å; I121-L125 PolarHBondContact O-N 3.05Å; L122-L125 PolarHBondContact O-N 2.96Å
126F64.4Low50.5Low144 Ų144106 Ų10663%0.63256%0.56SS**Hα-helixtrans-102.7-9.1-178.6-64.7-81.7000113.4L122 Q128 K129L122-F126 HydrophobicContact CD2-CD2 3.71Å; L122-F126 HydrophobicContact CD2-CE2 3.6Å; L122-F126 WeakPolarHBondContact O-CB 3.12Å; L122-F126 WeakPolarHBondContact O-CD2 3.38Å; L122-F126 PolarHBondContact O-N 2.94Å; F126-Q128 PolarHBondContact O-N 2.67Å; F126-K129 PolarHBondContact O-N 3.02Å
127G52.3Low48.7Very low59 Ų59108.8 Ų108.861%0.60857%0.568SS**THydrogen-bonded Turntrans-65.57.7175.300000115.4K123K123-G127 WeakPolarHBondContact O-CA 2.89Å; K123-G127 PolarHBondContact O-N 3Å
128Q43.8Very low47Very low177 Ų177115.3 Ų115.383%0.82760%0.598SS**THydrogen-bonded Turntrans-86.7-5162.8-91.6-161.7-19.600113.9F126F126-Q128 PolarHBondContact O-N 2.67Å
129K41.6Very low45.2Very low172 Ų172118.7 Ų118.775%0.74862%0.62SS**SBendtrans-122.9-10.2-172.5-133.2-173.8176.5-176.60120.7F126F126-K129 PolarHBondContact O-N 3.02Å
130E37.8Very low43.4Very low160 Ų160122.2 Ų122.275%0.74863%0.633SS**  trans-138.5104.5178.5-65.4-61.6150.200113.4
131V40.6Very low41.7Very low141 Ų141126.2 Ų126.286%0.85565%0.646SS**SBendtrans-73118.2148.3169.30000106.5
132R42.5Very low40.1Very low202 Ų202128.6 Ų128.676%0.76266%0.66SS**  trans74.2110.4162.2-163.4164.1-165.5159.13.5117.8
133K25.5Very low38.4Very low171 Ų171129.3 Ų129.374%0.74367%0.667SS**  trans-155132.3135.9-129.9175.4-174.6-177.50113Q137K133-Q137 VanDerWaalsContact CE-OE1 3.26Å
134D23.1Very low36.8Very low105 Ų105125.9 Ų125.956%0.56167%0.665SS**  trans-63.9164.3-177.7-70.9-73.1000114.3S136D134-S136 VanDerWaalsContact C-N 3.27Å; D134-S136 PolarHBondContact O-N 3.02Å
135P26.2Very low35.4Very low129 Ų129130 Ų13084%0.83868%0.677SS**THydrogen-bonded Turntrans-73.620-158.1-15.330.6000118
136S27.3Very low34.1Very low109 Ų109128.5 Ų128.576%0.76267%0.672SS**THydrogen-bonded Turntrans-118.310.3-165.546.30000116.1D134D134-S136 VanDerWaalsContact C-N 3.27Å; D134-S136 PolarHBondContact O-N 3.02Å
137Q25.3Very low32.5Very low113 Ų113125.5 Ų125.553%0.52867%0.666SS.*  trans-121.623.9179.4-67.4-158.7-57.900115.3K133 S139K133-Q137 VanDerWaalsContact CE-OE1 3.26Å; Q137-S139 VanDerWaalsContact C-N 3.26Å; Q137-S139 PolarHBondContact O-N 3.45Å
138E27.5Very low31.3Very low162 Ų162128.8 Ų128.876%0.75767%0.669SS**THydrogen-bonded Turntrans-77.5-7.5-179.8-156.2166.7-166.300113.6N142E138-N142 PolarHBondContact O-ND2 2.82Å
139S27.4Very low30.9Very low102 Ų102122.3 Ų122.371%0.71365%0.649SS**THydrogen-bonded Turntrans-94.3-22.1-172.7-159.40000115.7Q137Q137-S139 VanDerWaalsContact C-N 3.26Å; Q137-S139 PolarHBondContact O-N 3.45Å
140E29.5Very low30.5Very low163 Ų163122.4 Ų122.476%0.76265%0.645SS**THydrogen-bonded Turntrans-108.3-28.5-171.2-79.1-178.5135.200114.8N142 T143E140-N142 VanDerWaalsContact C-N 3.35Å; E140-T143 PolarHBondContact O-N 3.21Å
141E27.1Very low30.1Very low117 Ų117121.3 Ų121.355%0.54764%0.64SS.*Hα-helixtrans-78.1-21.9178.4-163.3176.9159.300112.9T143 A144 K145E141-T143 PolarHBondContact O-N 2.88Å; E141-A144 PolarHBondContact O-N 3.38Å; E141-K145 PolarHBondContact O-N 3.44Å; E141-K145 WeakPolarHBondContact OE1-CE 3.27Å; E141-K145 IonicContact OE1-NZ 2.62Å; E141-K145 PolarHBondContact OE1-NZ 3.07Å
142N29.3Very low29.7Very low92 Ų92124 Ų12449%0.49264%0.635SS.*Hα-helixtrans-67.4-21.6174.8-78-29.7000112.8E138 E140 T146E138-N142 PolarHBondContact O-ND2 2.82Å; E140-N142 VanDerWaalsContact C-N 3.35Å; N142-T146 VanDerWaalsContact O-CB 3.27Å; N142-T146 WeakPolarHBondContact O-CB 3.47Å; N142-T146 PolarHBondContact O-N 2.88Å; N142-T146 PolarHBondContact O-OG1 3.49Å
143T30.1Very low29.2Very low99 Ų99120.4 Ų120.461%0.60763%0.625SS**Hα-helixtrans-77.7-34.7179.9-50.10000111.9E140 E141 T147E140-T143 PolarHBondContact O-N 3.21Å; E141-T143 PolarHBondContact O-N 2.88Å; T143-T147 PolarHBondContact O-OG1 3.34Å
144A29.7Very low29.4Very low68 Ų68118 Ų11856%0.56262%0.616SS**Hα-helixtrans-83.5-31.5-177.100000113.8E141 T147E141-A144 PolarHBondContact O-N 3.38Å; A144-T147 PolarHBondContact O-OG1 3.29Å
145K31Very low29.7Very low135 Ų135121.8 Ų121.859%0.58762%0.622SS**Hα-helixtrans-78.1-28.7175.5-63.2-179-173.7169.10112.2E141 T147 L148 G149E141-K145 PolarHBondContact O-N 3.44Å; E141-K145 WeakPolarHBondContact OE1-CE 3.27Å; E141-K145 IonicContact OE1-NZ 2.62Å; E141-K145 PolarHBondContact OE1-NZ 3.07Å; K145-T147 VanDerWaalsContact C-N 3.26Å; K145-T147 PolarHBondContact O-N 3.16Å; K145-L148 PolarHBondContact O-N 3.44Å; K145-G149 PolarHBondContact O-N 2.92Å
146T33.4Very low30.2Very low78 Ų78120.9 Ų120.948%0.47961%0.609SS.*Hα-helixtrans-61.3-31.5170.9-650000112.4N142 R150N142-T146 VanDerWaalsContact O-CB 3.27Å; N142-T146 WeakPolarHBondContact O-CB 3.47Å; N142-T146 PolarHBondContact O-N 2.88Å; N142-T146 PolarHBondContact O-OG1 3.49Å; T146-R150 WeakPolarHBondContact O-CB 3.34Å; T146-R150 PolarHBondContact O-N 2.73Å
147T31.8Very low30.7Very low81 Ų81118.9 Ų118.950%0.49760%0.595SS.*Hα-helixtrans-75.4-38.1179.3-6.30000113.1T143 A144 K145 R150 Q151T143-T147 PolarHBondContact O-OG1 3.34Å; A144-T147 PolarHBondContact O-OG1 3.29Å; K145-T147 VanDerWaalsContact C-N 3.26Å; K145-T147 PolarHBondContact O-N 3.16Å; T147-R150 PolarHBondContact O-N 2.9Å; T147-Q151 PolarHBondContact O-N 2.89Å
148L27.5Very low30.8Very low129 Ų129122.8 Ų122.868%0.67561%0.605SS**Hα-helixtrans-76.7-33.3177.4-152.676.2000111.8K145 Q151 R152K145-L148 PolarHBondContact O-N 3.44Å; L148-Q151 PolarHBondContact O-N 2.79Å; L148-R152 PolarHBondContact O-N 3.42Å
149G34.9Very low31Very low40 Ų40121.5 Ų121.541%0.41260%0.602SS.*Hα-helixtrans-64.6-37.1168.800000112.8K145 Q151 R152 F153K145-G149 PolarHBondContact O-N 2.92Å; G149-Q151 VanDerWaalsContact C-N 3.34Å; G149-Q151 PolarHBondContact O-N 2.81Å; G149-R152 PolarHBondContact O-N 2.87Å; G149-F153 WeakPolarHBondContact O-CB 3.34Å; G149-F153 PolarHBondContact O-N 3.36Å
150R33.1Very low31.1Very low175 Ų175120.7 Ų120.766%0.6659%0.593SS**Hα-helixtrans-63-35.8175.6-171.6178.4-66.5-1171.9112.6T146 T147 H154T146-R150 WeakPolarHBondContact O-CB 3.34Å; T146-R150 PolarHBondContact O-N 2.73Å; T147-R150 PolarHBondContact O-N 2.9Å; R150-H154 WeakPolarHBondContact O-CB 3.1Å; R150-H154 PolarHBondContact O-N 3.29Å
151Q28.9Very low31.2Very low136 Ų136119.3 Ų119.364%0.63660%0.599SS**Hα-helixtrans-70.1-35.3175.8-70.8-166.712.600113.3T147 L148 G149 W155T147-Q151 PolarHBondContact O-N 2.89Å; L148-Q151 PolarHBondContact O-N 2.79Å; G149-Q151 VanDerWaalsContact C-N 3.34Å; G149-Q151 PolarHBondContact O-N 2.81Å; Q151-W155 PolarHBondContact O-N 2.8Å
152R32.6Very low31.6Very low199 Ų199116.9 Ų116.975%0.75161%0.605SS**Hα-helixtrans-75.6-34.5173.6-100.5162.795.3160.93112.8L148 G149 H154 W155 I156L148-R152 PolarHBondContact O-N 3.42Å; G149-R152 PolarHBondContact O-N 2.87Å; R152-H154 VanDerWaalsContact C-N 3.3Å; R152-W155 PolarHBondContact O-N 3.29Å; R152-I156 WeakPolarHBondContact O-CG1 3.3Å; R152-I156 PolarHBondContact O-N 2.81Å; R152-I156 VanDerWaalsContact O-N 3.11Å
153F32.3Very low31.7Very low125 Ų125123 Ų12355%0.54862%0.621SS.*Hα-helixtrans-64.7-37.2172.1-137.5-91.9000111.2G149 W155 I156 C157G149-F153 WeakPolarHBondContact O-CB 3.34Å; G149-F153 PolarHBondContact O-N 3.36Å; F153-W155 VanDerWaalsContact C-N 3.33Å; F153-W155 PolarHBondContact O-N 3.38Å; F153-I156 PolarHBondContact O-N 3.23Å; F153-C157 WeakPolarHBondContact O-CB 3.3Å; F153-C157 PolarHBondContact O-N 3.3Å; F153-C157 PolarHBondContact O-SG 3.48Å
154H29.6Very low31.5Very low121 Ų121130 Ų13056%0.5664%0.637SS**Hα-helixtrans-64-35175-164-102.1000112.8R150 R152 R158R150-H154 WeakPolarHBondContact O-CB 3.1Å; R150-H154 PolarHBondContact O-N 3.29Å; R152-H154 VanDerWaalsContact C-N 3.3Å; H154-R158 VanDerWaalsContact O-CB 3.3Å; H154-R158 WeakPolarHBondContact O-CB 3.48Å; H154-R158 PolarHBondContact O-N 3.43Å
155W28.3Very low31.5Very low184 Ų184133 Ų13370%0.69764%0.64SS**Hα-helixtrans-69.8-37.6172.4-95.597.3000113.3Q151 R152 F153 R158 L159Q151-W155 PolarHBondContact O-N 2.8Å; R152-W155 PolarHBondContact O-N 3.29Å; F153-W155 VanDerWaalsContact C-N 3.33Å; F153-W155 PolarHBondContact O-N 3.38Å; W155-R158 PolarHBondContact O-N 3.37Å; W155-L159 PolarHBondContact O-N 3.33Å
156I38.2Very low31.3Very low110 Ų110132.7 Ų132.756%0.56465%0.645SS**Hα-helixtrans-71.2-38.2175.5-66.2167.7000111R152 F153 R158 L159R152-I156 WeakPolarHBondContact O-CG1 3.3Å; R152-I156 PolarHBondContact O-N 2.81Å; R152-I156 VanDerWaalsContact O-N 3.11Å; F153-I156 PolarHBondContact O-N 3.23Å; I156-R158 VanDerWaalsContact C-N 3.25Å; I156-R158 PolarHBondContact O-N 3.06Å; I156-L159 PolarHBondContact O-N 2.87Å
157C36.7Very low31.2Very low68 Ų68134.9 Ų134.946%0.45965%0.653SS.*Hα-helixtrans-68-22.4173-71.60000113F153F153-C157 WeakPolarHBondContact O-CB 3.3Å; F153-C157 PolarHBondContact O-N 3.3Å; F153-C157 PolarHBondContact O-SG 3.48Å
158R28.4Very low31.2Very low194 Ų194133.9 Ų133.973%0.73265%0.646SS**Hα-helixtrans-86.5-13.5177.8-162168.2-118.1-141.4-2.2113.7H154 W155 I156H154-R158 VanDerWaalsContact O-CB 3.3Å; H154-R158 WeakPolarHBondContact O-CB 3.48Å; H154-R158 PolarHBondContact O-N 3.43Å; W155-R158 PolarHBondContact O-N 3.37Å; I156-R158 VanDerWaalsContact C-N 3.25Å; I156-R158 PolarHBondContact O-N 3.06Å
159L31.2Very low31.3Very low135 Ų135130.3 Ų130.371%0.70764%0.64SS**SBendtrans-93.84.5175.8-83.3158.8000114.1W155 I156W155-L159 PolarHBondContact O-N 3.33Å; I156-L159 PolarHBondContact O-N 2.87Å
160T30.1Very low30.9Very low85 Ų85134.1 Ų134.152%0.52166%0.656SS.*  trans-123.796.2172.6-34.20000109.3G162T160-G162 PolarHBondContact O-N 2.85Å
161P31.4Very low30.5Very low135 Ų135130.4 Ų130.488%0.87766%0.657SS**SBendtrans-69.7100.4169.528-28.1000107.3
162G35Very low30.5Very low66 Ų66127.7 Ų127.768%0.6867%0.665SS**SBendtrans121.957.9173.100000115.3T160T160-G162 PolarHBondContact O-N 2.85Å
163R32.3Very low30.3Very low221 Ų221129.1 Ų129.183%0.83467%0.671SS**  trans-15782148.2-146.7172.7-75.3-135.92.5110.6M165R163-M165 PolarHBondContact O-N 3.3Å
164R25.8Very low30.1Very low246 Ų246124.8 Ų124.893%0.92866%0.658SS**  trans-64.3127.2160-153.3176.4-147.8-164.34.7106.3N166R164-N166 PolarHBondContact O-N 2.91Å; R164-N166 VanDerWaalsContact O-N 3.1Å
165M28.6Very low29.9Very low129 Ų129123.4 Ų123.464%0.63566%0.662SS**  trans-42.8113.9177.5-118.173.7147.800110.7R163 I167R163-M165 PolarHBondContact O-N 3.3Å; M165-I167 VanDerWaalsContact C-N 3.3Å; M165-I167 HydrophobicContact CB-CG1 4.24Å; M165-I167 HydrophobicContact CG-CD1 3.88Å; M165-I167 HydrophobicContact CG-CG1 3.7Å
166N27.9Very low29.7Very low129 Ų129120.3 Ų120.369%0.6967%0.668SS**  trans-94.678.5151.9-126.542.3000105.5R164 V168R164-N166 PolarHBondContact O-N 2.91Å; R164-N166 VanDerWaalsContact O-N 3.1Å; N166-V168 PolarHBondContact ND2-O 3.5Å
167I29.9Very low29Very low125 Ų125119.5 Ų119.564%0.64167%0.672SS**  trans-67.1128.9153.2-69176.4000103.9M165M165-I167 VanDerWaalsContact C-N 3.3Å; M165-I167 HydrophobicContact CB-CG1 4.24Å; M165-I167 HydrophobicContact CG-CD1 3.88Å; M165-I167 HydrophobicContact CG-CG1 3.7Å
168V33.1Very low29.1Very low59 Ų59121.8 Ų121.836%0.35869%0.686SS.*SBendtrans75.8116.6-170.2-175.60000114.1L22 N166L22-V168 HydrophobicContact CD1-CG2 4.17Å; L22-V168 HydrophobicContact CD2-CG1 4.13Å; L22-V168 HydrophobicContact CD2-CG2 4.37Å; N166-V168 PolarHBondContact ND2-O 3.5Å
169G29Very low28.7Very low54 Ų54117.9 Ų117.956%0.55769%0.689SS**  trans104.760.8162.300000116.8
170T25.9Very low28.8Very low121 Ų121116.8 Ų116.874%0.74269%0.69SS**SBendtrans-128.253.5154.955.90000111.4
171S26.2Very low28.4Very low96 Ų96119.2 Ų119.267%0.67171%0.705SS**SBendtrans-128.54.9152.5-76.40000112.6R173S171-R173 PolarHBondContact O-N 3.36Å
172G28Very low28.1Very low79 Ų79120.6 Ų120.681%0.81470%0.7SS**  trans-99.843.4-174.500000114.9
173R28.3Very low27.7Very low229 Ų229123.2 Ų123.286%0.86470%0.704SS**  trans-121.960.5172.2-157-178.8-82.5-170-4.4111.6S171S171-R173 PolarHBondContact O-N 3.36Å
174A27.3Very low27.4Very low35 Ų35118.5 Ų118.529%0.28970%0.7SS.*SBendtrans-168.368.8158.400000111.6I298A174-I298 HydrophobicContact CB-CD1 3.95Å
175S27.1Very low27.3Very low91 Ų91115.3 Ų115.364%0.63670%0.7SS**  trans17297.3148.951.40000111.4
176S23.8Very low27.1Very low119 Ų119112.5 Ų112.583%0.83270%0.704SS**  trans-152.797151.7600000109.2
177S23.8Very low27Very low93 Ų93111.2 Ų111.265%0.6571%0.712SS**  trans-83.8162.4158.7-73.90000109.7
178P37.2Very low26.7Very low116 Ų116114.3 Ų114.375%0.75372%0.724SS**  trans-104.6160-133.438.7-35.7000114.3
179S21.4Very low26.5Very low113 Ų113116.4 Ų116.479%0.7974%0.738SS**  trans159.2167.7140.152.10000111.3
180P32.2Very low26.3Very low112 Ų112122.2 Ų122.273%0.72775%0.75SS**  -116.6-172.5-68.432.2-15.3000110.1
181T22.6Very low26.4Very low135 Ų135121.6 Ų121.683%0.82875%0.751SS**  trans80.288.6169.715.90000117.7
182Q24.6Very low26.3Very low165 Ų165128.3 Ų128.377%0.77176%0.762SS**  trans-71.3157.4148.2-77.1-79.1-7.600110.2
183P26.1Very low26.5Very low120 Ų120129.6 Ų129.678%0.77977%0.765SS**  -133.9119.5110.431.7-18.2000114.3
184V26.6Very low26.6Very low122 Ų122126.4 Ų126.474%0.73976%0.76SS**  trans25.8115.7131.9-176.20000118.8
185L24.6Very low26.8Very low179 Ų179128.3 Ų128.394%0.93777%0.769SS**  trans-150.5115.7132.8-150.173.4000111.8
186G23.8Very low27.4Very low70 Ų70130.2 Ų130.272%0.72277%0.772SS**  trans93.972.9143.500000120
187A25.5Very low28.2Very low102 Ų102128.4 Ų128.484%0.84376%0.756SS**  trans8.4119.2149.200000121.8
188Q24.2Very low29Very low191 Ų191126.3 Ų126.389%0.89374%0.741SS**  trans-148.9144.6136.1-102.8-91.1-21.400108.5
189P28.5Very low29.3Very low102 Ų102124.6 Ų124.666%0.66273%0.732SS**  trans-93.8148.9-144.834.8-30.1000115
190H24.4Very low30.3Very low176 Ų176123.6 Ų123.682%0.81572%0.723SS**  trans35.198.6147.9-92.4-88.7000119.5
191S27.3Very low30.8Very low109 Ų109123 Ų12376%0.76271%0.713SS**  4692.7112.8-44.10000118.2
192R25Very low32Very low237 Ų237119.5 Ų119.589%0.89470%0.698SS**  trans-126.4115136.1-123.8-179.5-167.91402.1108.2Q194R192-Q194 PolarHBondContact O-N 2.85Å
193A32.2Very low33.3Very low105 Ų105115.1 Ų115.187%0.86869%0.686SS**  trans-48.8107.5173.300000109.6
194Q31Very low34.6Very low162 Ų162111.6 Ų111.676%0.75766%0.664SS**  trans-85.4122.3170.7-69.3-167.1-9.500107.6R192R192-Q194 PolarHBondContact O-N 2.85Å
195P30.6Very low35.8Very low75 Ų75114.8 Ų114.849%0.48766%0.663SS.*  trans-69.5138.7179.728.8-33.2000109.6T197 S198P195-T197 WeakPolarHBondContact CB-OG1 3.44Å; P195-T197 WeakPolarHBondContact CG-OG1 3.42Å; P195-T197 PolarHBondContact O-N 3.34Å; P195-S198 PolarHBondContact O-N 2.9Å; P195-S198 PolarHBondContact O-OG 3.42Å
196L40Very low37.6Very low132 Ų132107.9 Ų107.969%0.69164%0.635SS**THydrogen-bonded Turntrans-51.4-11170.8-103.587.7000114
197T41.4Very low39.4Very low81 Ų81108.8 Ų108.850%0.49762%0.616SS.*Hα-helixtrans-70.8-28.6175.262.10000112.8P195 L201P195-T197 WeakPolarHBondContact CB-OG1 3.44Å; P195-T197 WeakPolarHBondContact CG-OG1 3.42Å; P195-T197 PolarHBondContact O-N 3.34Å; T197-L201 WeakPolarHBondContact O-CB 3.32Å; T197-L201 WeakPolarHBondContact O-CD1 3.19Å; T197-L201 VanDerWaalsContact O-CG 3.27Å; T197-L201 WeakPolarHBondContact O-CG 3.47Å; T197-L201 PolarHBondContact O-N 3.36Å; T197-L201 VanDerWaalsContact O-N 3.08Å
198S39Very low41Very low49 Ų49109.7 Ų109.734%0.34361%0.607SS.*Hα-helixtrans-76.2-33.2-17559.50000113.3P195 A202P195-S198 PolarHBondContact O-N 2.9Å; P195-S198 PolarHBondContact O-OG 3.42Å; S198-A202 WeakPolarHBondContact O-CB 3.4Å; S198-A202 PolarHBondContact O-N 3.46Å
199S45.5Very low42.7Very low80 Ų80109 Ų10956%0.55960%0.596SS**Hα-helixtrans-74.9-32.7176.5-49.20000113S203S199-S203 PolarHBondContact O-N 2.7Å; S199-S203 PolarHBondContact O-OG 2.98Å
200C40.9Very low44.4Very low91 Ų91107.9 Ų107.962%0.61558%0.584SS**Hα-helixtrans-69.4-41.2171.9-70.40000111.1S203 S204C200-S203 PolarHBondContact O-N 3.41Å; C200-S204 PolarHBondContact O-N 3.05Å; C200-S204 PolarHBondContact O-OG 3.22Å
201L42.6Very low46.1Very low99 Ų99100.6 Ų100.652%0.51855%0.553SS.*Hα-helixtrans-67.4-34.5175.9-77.1162.8000112.8T197 S204 R205T197-L201 WeakPolarHBondContact O-CB 3.32Å; T197-L201 WeakPolarHBondContact O-CD1 3.19Å; T197-L201 VanDerWaalsContact O-CG 3.27Å; T197-L201 WeakPolarHBondContact O-CG 3.47Å; T197-L201 PolarHBondContact O-N 3.36Å; T197-L201 VanDerWaalsContact O-N 3.08Å; L201-S204 WeakPolarHBondContact CA-OG 3.49Å; L201-S204 PolarHBondContact O-OG 2.99Å; L201-S204 VanDerWaalsContact O-OG 3.07Å; L201-R205 VanDerWaalsContact O-CB 3.27Å; L201-R205 WeakPolarHBondContact O-CB 3.48Å; L201-R205 WeakPolarHBondContact O-CG 3.35Å; L201-R205 PolarHBondContact O-N 2.98Å
202A49.3Very low48Very low62 Ų62102.5 Ų102.551%0.51255%0.547SS..Hα-helixtrans-67-37.8174.700000112.1S198 R205 G206S198-A202 WeakPolarHBondContact O-CB 3.4Å; S198-A202 PolarHBondContact O-N 3.46Å; A202-R205 PolarHBondContact O-N 3.28Å; A202-G206 PolarHBondContact O-N 3.21Å; A202-G206 VanDerWaalsContact O-N 3.08Å
203S51.6Low49.8Very low73 Ų7395.2 Ų95.251%0.5153%0.526SS..Hα-helixtrans-68.8-40.3176.5-56.90000111.7S199 C200 W207S199-S203 PolarHBondContact O-N 2.7Å; S199-S203 PolarHBondContact O-OG 2.98Å; C200-S203 PolarHBondContact O-N 3.41Å; S203-W207 WeakPolarHBondContact O-CB 3.34Å; S203-W207 PolarHBondContact O-N 3.4Å; S203-W207 VanDerWaalsContact O-N 3.15Å
204S52.2Low51Low47 Ų4796.1 Ų96.133%0.32951%0.508SS..Hα-helixtrans-72.8-31.3175.759.40000113.2C200 L201 W207 L208C200-S204 PolarHBondContact O-N 3.05Å; C200-S204 PolarHBondContact O-OG 3.22Å; L201-S204 WeakPolarHBondContact CA-OG 3.49Å; L201-S204 PolarHBondContact O-OG 2.99Å; L201-S204 VanDerWaalsContact O-OG 3.07Å; S204-W207 WeakPolarHBondContact O-CB 3.35Å; S204-W207 PolarHBondContact O-N 3.04Å; S204-L208 WeakPolarHBondContact O-CB 3.48Å; S204-L208 WeakPolarHBondContact O-CG 3.28Å; S204-L208 PolarHBondContact O-N 2.86Å
205R53Low52.2Low189 Ų18989.8 Ų89.871%0.71349%0.486SS*.Hα-helixtrans-69.5-41174.5-74.7176.596.5142.58.6112.7L201 A202 W207 W209L201-R205 VanDerWaalsContact O-CB 3.27Å; L201-R205 WeakPolarHBondContact O-CB 3.48Å; L201-R205 WeakPolarHBondContact O-CG 3.35Å; L201-R205 PolarHBondContact O-N 2.98Å; A202-R205 PolarHBondContact O-N 3.28Å; R205-W207 VanDerWaalsContact C-N 3.32Å; R205-W209 WeakPolarHBondContact O-CB 3.37Å; R205-W209 PolarHBondContact O-N 3.36Å
206G62.7Low53.1Low33 Ų3387.6 Ų87.634%0.3448%0.477SS..Hα-helixtrans-62.7-40.9171.600000111.9A202 W209 I210A202-G206 PolarHBondContact O-N 3.21Å; A202-G206 VanDerWaalsContact O-N 3.08Å; G206-W209 PolarHBondContact O-N 3.23Å; G206-I210 WeakPolarHBondContact O-CB 3.34Å; G206-I210 VanDerWaalsContact O-CD1 3.32Å; G206-I210 WeakPolarHBondContact O-CD1 3.27Å; G206-I210 VanDerWaalsContact O-CG1 3.28Å; G206-I210 WeakPolarHBondContact O-CG1 3.37Å; G206-I210 PolarHBondContact O-N 3.46Å
207W60Low53.5Low89 Ų8987.4 Ų87.434%0.33748%0.476SS..Hα-helixtrans-62.2-49.1175.5-104.480.3000114M95 S203 S204 R205 W209 I210 S211M95-W207 HydrophobicContact CB-CH2 3.49Å; M95-W207 VanDerWaalsContact CB-CH2 3.49Å; M95-W207 HydrophobicContact CB-CZ3 3.58Å; M95-W207 HydrophobicContact CG-CH2 4.16Å; M95-W207 WeakPolarHBondContact O-CH2 3.44Å; M95-W207 VanDerWaalsContact O-CZ3 3.26Å; M95-W207 WeakPolarHBondContact O-CZ3 3.4Å; S203-W207 WeakPolarHBondContact O-CB 3.34Å; S203-W207 PolarHBondContact O-N 3.4Å; S203-W207 VanDerWaalsContact O-N 3.15Å; S204-W207 WeakPolarHBondContact O-CB 3.35Å; S204-W207 PolarHBondContact O-N 3.04Å; R205-W207 VanDerWaalsContact C-N 3.32Å; W207-W209 VanDerWaalsContact C-N 3.3Å; W207-I210 PolarHBondContact O-N 3.18Å; W207-S211 VanDerWaalsContact O-CB 3.27Å; W207-S211 WeakPolarHBondContact O-CB 3.45Å; W207-S211 PolarHBondContact O-N 2.97Å; W207-S211 PolarHBondContact O-OG 3.33Å
208L60.1Low54Low121 Ų12186.1 Ų86.163%0.63447%0.471SS*.Hα-helixtrans-65-37176.3-77.7167000110.9S204 F212S204-L208 WeakPolarHBondContact O-CB 3.48Å; S204-L208 WeakPolarHBondContact O-CG 3.28Å; S204-L208 PolarHBondContact O-N 2.86Å; L208-F212 WeakPolarHBondContact O-CB 3.32Å; L208-F212 PolarHBondContact O-N 3.33Å
209W59.7Low54.3Low176 Ų17692.4 Ų92.467%0.66749%0.492SS*.Hα-helixtrans-66.1-43176-169.6-97.3000112.5R205 G206 W207 F212 L213R205-W209 WeakPolarHBondContact O-CB 3.37Å; R205-W209 PolarHBondContact O-N 3.36Å; G206-W209 PolarHBondContact O-N 3.23Å; W207-W209 VanDerWaalsContact C-N 3.3Å; W209-F212 PolarHBondContact O-N 2.66Å; W209-L213 HydrophobicContact CG-CD1 4.5Å; W209-L213 WeakPolarHBondContact O-CB 3.19Å; W209-L213 PolarHBondContact O-N 2.97Å
210I65.3Low54.2Low79 Ų79100 Ų10041%0.40551%0.508SS..Hα-helixtrans-68.8-41.3176.3-71156.7000111.1M95 G206 W207 F212 L213 Y214M95-I210 HydrophobicContact SD-CG2 4.28Å; G206-I210 WeakPolarHBondContact O-CB 3.34Å; G206-I210 VanDerWaalsContact O-CD1 3.32Å; G206-I210 WeakPolarHBondContact O-CD1 3.27Å; G206-I210 VanDerWaalsContact O-CG1 3.28Å; G206-I210 WeakPolarHBondContact O-CG1 3.37Å; G206-I210 PolarHBondContact O-N 3.46Å; W207-I210 PolarHBondContact O-N 3.18Å; I210-F212 VanDerWaalsContact C-N 3.33Å; I210-L213 PolarHBondContact O-N 3.33Å; I210-Y214 HydrophobicContact CG2-CD2 4.24Å; I210-Y214 WeakPolarHBondContact O-CB 3.09Å; I210-Y214 PolarHBondContact O-N 2.89Å
211S59.7Low54.5Low24 Ų2498.5 Ų98.517%0.16851%0.509CS..Hα-helixtrans-65.1-37.2174.8-59.20000111.6W207 G215W207-S211 VanDerWaalsContact O-CB 3.27Å; W207-S211 WeakPolarHBondContact O-CB 3.45Å; W207-S211 PolarHBondContact O-N 2.97Å; W207-S211 PolarHBondContact O-OG 3.33Å; S211-G215 WeakPolarHBondContact O-CA 3.28Å; S211-G215 PolarHBondContact O-N 3.28Å
212F65.6Low54.5Low148 Ų148104.8 Ų104.865%0.64953%0.526SS*.Hα-helixtrans-73.1-33.7174-174.9-97.8000112.3L208 W209 I210 G216L208-F212 WeakPolarHBondContact O-CB 3.32Å; L208-F212 PolarHBondContact O-N 3.33Å; W209-F212 PolarHBondContact O-N 2.66Å; I210-F212 VanDerWaalsContact C-N 3.33Å; F212-G216 WeakPolarHBondContact O-CA 3.43Å; F212-G216 PolarHBondContact O-N 2.99Å
213L64Low54.1Low85 Ų85113 Ų11345%0.44554%0.544SS..Hα-helixtrans-67.2-46.9173.6-114.4142.2000111.5W209 I210 L217W209-L213 HydrophobicContact CG-CD1 4.5Å; W209-L213 WeakPolarHBondContact O-CB 3.19Å; W209-L213 PolarHBondContact O-N 2.97Å; I210-L213 PolarHBondContact O-N 3.33Å; L213-L217 HydrophobicContact CD2-CD1 4.48Å; L213-L217 WeakPolarHBondContact O-CB 3.25Å; L213-L217 WeakPolarHBondContact O-CD1 3.37Å; L213-L217 PolarHBondContact O-N 2.98Å
214Y56Low53.8Low123 Ų123118.2 Ų118.248%0.48256%0.557SS.*Hα-helixtrans-75.5-39.1179.3-91.5-94.1000112.9I210I210-Y214 HydrophobicContact CG2-CD2 4.24Å; I210-Y214 WeakPolarHBondContact O-CB 3.09Å; I210-Y214 PolarHBondContact O-N 2.89Å
215G56.5Low53.3Low30 Ų30123.6 Ų123.631%0.30958%0.582SS.*Hα-helixtrans-77.2-37.3176.600000113.6S211 S218S211-G215 WeakPolarHBondContact O-CA 3.28Å; S211-G215 PolarHBondContact O-N 3.28Å; G215-S218 WeakPolarHBondContact O-CB 3.45Å; G215-S218 PolarHBondContact O-N 3.43Å
216G50.3Low52.9Low29 Ų29122.7 Ų122.730%0.29958%0.583SS.*Hα-helixtrans-76.3-28.7-179.600000114.1F212 S218 F219F212-G216 WeakPolarHBondContact O-CA 3.43Å; F212-G216 PolarHBondContact O-N 2.99Å; G216-S218 PolarHBondContact O-N 3.47Å; G216-F219 PolarHBondContact O-N 3.45Å
217L49Very low52.4Low128 Ų128125.4 Ų125.467%0.6760%0.597SS**Hα-helixtrans-59.2-29.4167.8-116.975.5000111.8L213L213-L217 HydrophobicContact CD2-CD1 4.48Å; L213-L217 WeakPolarHBondContact O-CB 3.25Å; L213-L217 WeakPolarHBondContact O-CD1 3.37Å; L213-L217 PolarHBondContact O-N 2.98Å
218S50.3Low52.1Low54 Ų54128.9 Ų128.938%0.37862%0.617SS.*Hα-helixtrans-74.6-27-178.4-165.10000113.4G215 G216G215-S218 WeakPolarHBondContact O-CB 3.45Å; G215-S218 PolarHBondContact O-N 3.43Å; G216-S218 PolarHBondContact O-N 3.47Å
219F45.2Very low52Low181 Ų181130.2 Ų130.279%0.79462%0.623SS**Hα-helixtrans-84.1-24.3-179.6-149.1-95000112.1G216G216-F219 PolarHBondContact O-N 3.45Å
220R44.4Very low52.1Low238 Ų238128.6 Ų128.690%0.89862%0.617SS**Hα-helixtrans-93.3-7.2-175.9-149.1146.6174.1165.2-4.5114.3W222R220-W222 VanDerWaalsContact C-N 3.32Å; R220-W222 PolarHBondContact O-N 3.42Å
221G46.7Very low52Low61 Ų61127.9 Ų127.963%0.62962%0.616SS**  trans-9128.917400000114.6R223G221-R223 PolarHBondContact O-N 2.86Å
222W43Very low52.3Low231 Ų231130.8 Ų130.888%0.87563%0.63SS**  trans-76.536-177.6-173.628.8000113.6R220R220-W222 VanDerWaalsContact C-N 3.32Å; R220-W222 PolarHBondContact O-N 3.42Å
223R41.4Very low52.4Low235 Ų235126.3 Ų126.389%0.88762%0.62SS**  trans-111.797.9175.1-152.6177-81.6-148.50.2110.6G221G221-R223 PolarHBondContact O-N 2.86Å
224K43.8Very low52.7Low182 Ų182123.6 Ų123.679%0.79161%0.605SS**SBendtrans-7.5134.5155.4-57.9-180178.3-178.10114.8
225N42Very low53.5Low160 Ų160122.2 Ų122.286%0.85661%0.606SS**  trans111.941.9171.7-66.5-18.4000118.7
226K44.6Very low54.2Low170 Ų170128.4 Ų128.474%0.73962%0.62SS**  trans-148.746162.8-152.5178.7-172.7-175.20112.3
227S53Low55.1Low89 Ų89127.6 Ų127.662%0.62261%0.611SS**  trans-96.3-15.2-158.145.60000116.7T231S227-T231 WeakPolarHBondContact O-CG2 3.45Å; S227-T231 PolarHBondContact O-OG1 3.15Å
228E54.3Low56.3Low163 Ų163127.1 Ų127.176%0.76260%0.6SS**Hα-helixtrans-104.5-41.7-170.3-155.8171.5160.200114.4R230 T231 N232E228-R230 VanDerWaalsContact C-N 3.33Å; E228-R230 PolarHBondContact O-N 3.42Å; E228-T231 WeakPolarHBondContact CA-OG1 3.43Å; E228-T231 PolarHBondContact O-OG1 2.91Å; E228-N232 PolarHBondContact O-N 3.37Å
229I57.2Low57.7Low149 Ų149127.3 Ų127.376%0.76461%0.605SS**Hα-helixtrans-69.1-34.9175.7-63.8171.5000111A233I229-A233 PolarHBondContact O-N 2.92Å
230R60.8Low59.2Low142 Ų142120.6 Ų120.654%0.53658%0.578SS.*Hα-helixtrans-77-37.5-178-171.6159.168.9167.83.9112.5E228 A233 E234E228-R230 VanDerWaalsContact C-N 3.33Å; E228-R230 PolarHBondContact O-N 3.42Å; R230-A233 PolarHBondContact O-N 3.1Å; R230-E234 HydrophobicContact CG-CG 4.5Å; R230-E234 WeakPolarHBondContact O-CB 3.27Å; R230-E234 VanDerWaalsContact O-CG 3.28Å; R230-E234 WeakPolarHBondContact O-CG 3.01Å; R230-E234 PolarHBondContact O-N 3.4Å
231T64Low60.7Low64 Ų64109.7 Ų109.739%0.39354%0.538SS..Hα-helixtrans-64.9-43.3173.842.80000111.2S227 E228 A233 E234 D235S227-T231 WeakPolarHBondContact O-CG2 3.45Å; S227-T231 PolarHBondContact O-OG1 3.15Å; E228-T231 WeakPolarHBondContact CA-OG1 3.43Å; E228-T231 PolarHBondContact O-OG1 2.91Å; T231-A233 VanDerWaalsContact C-N 3.3Å; T231-A233 PolarHBondContact O-N 3.43Å; T231-E234 PolarHBondContact O-N 3.46Å; T231-E234 VanDerWaalsContact O-N 3.1Å; T231-D235 WeakPolarHBondContact O-CB 3.27Å; T231-D235 VanDerWaalsContact O-CG 3.27Å; T231-D235 PolarHBondContact O-N 2.88Å
232N66.8Low62.2Low84 Ų84114 Ų11445%0.44954%0.535SS..Hα-helixtrans-60.4-38.8177.3-155.8-47.8000112.3E228 R236E228-N232 PolarHBondContact O-N 3.37Å; N232-R236 VanDerWaalsContact O-CG 3.25Å; N232-R236 WeakPolarHBondContact O-CG 3.31Å; N232-R236 PolarHBondContact O-N 3.25Å; N232-R236 VanDerWaalsContact O-N 3.12Å; N232-R236 PolarHBondContact OD1-NE 2.81Å
233A66.7Low63.9Low54 Ų54108.6 Ų108.645%0.44652%0.52SS..Hα-helixtrans-69-39.8173.800000113I229 R230 T231 A237I229-A233 PolarHBondContact O-N 2.92Å; R230-A233 PolarHBondContact O-N 3.1Å; T231-A233 VanDerWaalsContact C-N 3.3Å; T231-A233 PolarHBondContact O-N 3.43Å; A233-A237 WeakPolarHBondContact O-CB 3.18Å; A233-A237 PolarHBondContact O-N 3.24Å; A233-A237 VanDerWaalsContact O-N 3.07Å
234E70.1Confident65.5Low28 Ų28100.4 Ų100.413%0.13149%0.491CS..Hα-helixtrans-65.2-39.6175.9-74.2179.7-162.800111.8Q86 R230 T231 A237 R238Q86-E234 VanDerWaalsContact CG-OE1 3.29Å; Q86-E234 WeakPolarHBondContact CG-OE1 3.06Å; R230-E234 HydrophobicContact CG-CG 4.5Å; R230-E234 WeakPolarHBondContact O-CB 3.27Å; R230-E234 VanDerWaalsContact O-CG 3.28Å; R230-E234 WeakPolarHBondContact O-CG 3.01Å; R230-E234 PolarHBondContact O-N 3.4Å; T231-E234 PolarHBondContact O-N 3.46Å; T231-E234 VanDerWaalsContact O-N 3.1Å; E234-A237 PolarHBondContact O-N 2.89Å; E234-R238 VanDerWaalsContact O-CG 3.26Å; E234-R238 WeakPolarHBondContact O-CG 3.47Å; E234-R238 PolarHBondContact O-N 3.43Å
235D72.7Confident67.1Low94 Ų9494.4 Ų94.450%0.50346%0.464SS..Hα-helixtrans-69.6-38.8178.9-68.5-34.4000112T231 R238 A239T231-D235 WeakPolarHBondContact O-CB 3.27Å; T231-D235 VanDerWaalsContact O-CG 3.27Å; T231-D235 PolarHBondContact O-N 2.88Å; D235-R238 WeakPolarHBondContact O-CB 3.46Å; D235-R238 PolarHBondContact O-N 3.47Å; D235-A239 WeakPolarHBondContact O-CB 3.38Å; D235-A239 PolarHBondContact O-N 3.36Å
236R71.9Confident68.8Low161 Ų16193.2 Ų93.261%0.60845%0.454SS*.Hα-helixtrans-62.4-45.3172-73172.9-170.9-135.5-0.3111.9N232 R238 A239 V240N232-R236 VanDerWaalsContact O-CG 3.25Å; N232-R236 WeakPolarHBondContact O-CG 3.31Å; N232-R236 PolarHBondContact O-N 3.25Å; N232-R236 VanDerWaalsContact O-N 3.12Å; N232-R236 PolarHBondContact OD1-NE 2.81Å; R236-R238 VanDerWaalsContact C-N 3.34Å; R236-R238 PolarHBondContact O-N 2.65Å; R236-A239 WeakPolarHBondContact O-CB 3.45Å; R236-A239 PolarHBondContact O-N 3.3Å; R236-V240 WeakPolarHBondContact O-CG2 3.33Å; R236-V240 PolarHBondContact O-N 3.21Å
237A69.5Low70.6Confident11 Ų1190.8 Ų90.89%0.09145%0.449CS..Hα-helixtrans-66.6-36.117800000111.7V85 A233 E234 A239 V240 I241V85-A237 HydrophobicContact CG1-CB 3.29Å; A233-A237 WeakPolarHBondContact O-CB 3.18Å; A233-A237 PolarHBondContact O-N 3.24Å; A233-A237 VanDerWaalsContact O-N 3.07Å; E234-A237 PolarHBondContact O-N 2.89Å; A237-A239 VanDerWaalsContact C-N 3.34Å; A237-A239 PolarHBondContact O-N 3.46Å; A237-V240 PolarHBondContact O-N 3.29Å; A237-I241 VanDerWaalsContact O-CD1 3.3Å; A237-I241 WeakPolarHBondContact O-CD1 3.37Å; A237-I241 VanDerWaalsContact O-CG1 3.22Å; A237-I241 WeakPolarHBondContact O-CG1 3.23Å; A237-I241 PolarHBondContact O-N 3.27Å
238R74.6Confident71.6Confident119 Ų11988.8 Ų88.845%0.44943%0.43SS..Hα-helixtrans-60.7-41169.8-75.2172.4-170.3-1384.2112.3V85 E234 D235 R236 R242V85-R238 HydrophobicContact CB-CG 3.78Å; V85-R238 HydrophobicContact CG1-CG 4.42Å; V85-R238 HydrophobicContact CG2-CB 4.25Å; V85-R238 HydrophobicContact CG2-CG 3.18Å; E234-R238 VanDerWaalsContact O-CG 3.26Å; E234-R238 WeakPolarHBondContact O-CG 3.47Å; E234-R238 PolarHBondContact O-N 3.43Å; D235-R238 WeakPolarHBondContact O-CB 3.46Å; D235-R238 PolarHBondContact O-N 3.47Å; R236-R238 VanDerWaalsContact C-N 3.34Å; R236-R238 PolarHBondContact O-N 2.65Å; R238-R242 VanDerWaalsContact O-CB 3.29Å; R238-R242 WeakPolarHBondContact O-CB 3.37Å; R238-R242 PolarHBondContact O-N 2.86Å
239A78.4Confident72.6Confident58 Ų5882.5 Ų82.548%0.47941%0.409SS..Hα-helixtrans-63.8-46.1178.500000111.3D235 R236 A237 I241 R242 E243D235-A239 WeakPolarHBondContact O-CB 3.38Å; D235-A239 PolarHBondContact O-N 3.36Å; R236-A239 WeakPolarHBondContact O-CB 3.45Å; R236-A239 PolarHBondContact O-N 3.3Å; A237-A239 VanDerWaalsContact C-N 3.34Å; A237-A239 PolarHBondContact O-N 3.46Å; A239-I241 PolarHBondContact O-N 3.07Å; A239-R242 PolarHBondContact O-N 2.87Å; A239-E243 WeakPolarHBondContact O-CB 3.45Å; A239-E243 PolarHBondContact O-N 3.05Å
240V77.1Confident73.5Confident39 Ų3980.9 Ų80.924%0.23641%0.409CS..Hα-helixtrans-62.2-44.4176.9175.90000111.6R236 A237 R242 E243 E244R236-V240 WeakPolarHBondContact O-CG2 3.33Å; R236-V240 PolarHBondContact O-N 3.21Å; A237-V240 PolarHBondContact O-N 3.29Å; V240-R242 VanDerWaalsContact C-N 3.3Å; V240-R242 PolarHBondContact O-N 3.45Å; V240-E243 PolarHBondContact O-N 3.28Å; V240-E244 WeakPolarHBondContact O-CB 3.27Å; V240-E244 WeakPolarHBondContact O-CG 3.11Å; V240-E244 PolarHBondContact O-N 3.47Å
241I76.5Confident74.1Confident10 Ų1079.2 Ų79.25%0.05141%0.409CS..Hα-helixtrans-63.4-38.2177.6-68.8160000111.2L77 L80 M81 V85 A237 A239 Y245L77-I241 HydrophobicContact CD2-CG2 3.82Å; L80-I241 HydrophobicContact CD2-CD1 3.51Å; L80-I241 HydrophobicContact CD2-CG1 3.96Å; L80-I241 HydrophobicContact CD2-CG2 4.17Å; L80-I241 HydrophobicContact CG-CD1 3.87Å; L80-I241 HydrophobicContact CG-CG2 4.38Å; M81-I241 HydrophobicContact CG-CG2 4.08Å; V85-I241 HydrophobicContact CG1-CD1 4.25Å; V85-I241 HydrophobicContact CG2-CD1 3.94Å; A237-I241 VanDerWaalsContact O-CD1 3.3Å; A237-I241 WeakPolarHBondContact O-CD1 3.37Å; A237-I241 VanDerWaalsContact O-CG1 3.22Å; A237-I241 WeakPolarHBondContact O-CG1 3.23Å; A237-I241 PolarHBondContact O-N 3.27Å; A239-I241 PolarHBondContact O-N 3.07Å; I241-Y245 WeakPolarHBondContact O-CB 3.48Å; I241-Y245 PolarHBondContact O-N 3.01Å
242R78.4Confident74.8Confident151 Ų15183.3 Ų83.357%0.5742%0.422SS*.Hα-helixtrans-68.8-40.8177.7-179178.1-69.5-129.6-0.9111.6R238 A239 V240 Y245 Q246R238-R242 VanDerWaalsContact O-CB 3.29Å; R238-R242 WeakPolarHBondContact O-CB 3.37Å; R238-R242 PolarHBondContact O-N 2.86Å; A239-R242 PolarHBondContact O-N 2.87Å; V240-R242 VanDerWaalsContact C-N 3.3Å; V240-R242 PolarHBondContact O-N 3.45Å; R242-Y245 PolarHBondContact O-N 3.2Å; R242-Q246 WeakPolarHBondContact O-CG 3.49Å; R242-Q246 PolarHBondContact O-N 3.21Å
243E78.6Confident75.4Confident118 Ų11888.1 Ų88.155%0.55144%0.439SS*.Hα-helixtrans-62.4-47.5175.2-172-174.6179.400110.7A239 V240 Y245 Q246 N247A239-E243 WeakPolarHBondContact O-CB 3.45Å; A239-E243 PolarHBondContact O-N 3.05Å; V240-E243 PolarHBondContact O-N 3.28Å; E243-Y245 VanDerWaalsContact C-N 3.33Å; E243-Y245 PolarHBondContact O-N 2.89Å; E243-Q246 PolarHBondContact O-N 2.82Å; E243-Q246 VanDerWaalsContact O-N 3.13Å; E243-N247 PolarHBondContact O-N 3.33Å; E243-N247 PolarHBondContact O-ND2 2.98Å
244E74.3Confident76Confident62 Ų6286.9 Ų86.929%0.2943%0.429SS..Hα-helixtrans-55.5-47.4171.9-76.4-69.9170.500111.2R73 V240 Q246 N247 L248R73-E244 IonicContact CZ-OE2 3.8Å; R73-E244 IonicContact NH2-OE2 2.62Å; R73-E244 PolarHBondContact NH2-OE2 3.49Å; V240-E244 WeakPolarHBondContact O-CB 3.27Å; V240-E244 WeakPolarHBondContact O-CG 3.11Å; V240-E244 PolarHBondContact O-N 3.47Å; E244-Q246 VanDerWaalsContact C-N 3.31Å; E244-Q246 PolarHBondContact O-N 3.34Å; E244-N247 WeakPolarHBondContact O-CB 3.21Å; E244-N247 PolarHBondContact O-N 3.3Å; E244-L248 WeakPolarHBondContact O-CD1 3.36Å; E244-L248 PolarHBondContact O-N 3.32Å
245Y77.3Confident76.5Confident57 Ų5786.4 Ų86.422%0.22443%0.426CS..Hα-helixtrans-61.5-37.3177.1-174.8-94.5000113.2R74 L77 M81 I241 R242 E243 L248R74-Y245 HydrophobicContact CG-CE2 3.73Å; R74-Y245 PolarHBondContact NH1-OH 3.07Å; R74-Y245 VanDerWaalsContact NH1-OH 3.08Å; L77-Y245 HydrophobicContact CB-CD2 3.89Å; L77-Y245 HydrophobicContact CD1-CD2 4.28Å; M81-Y245 HydrophobicContact CE-CD1 4.26Å; M81-Y245 HydrophobicContact CE-CD2 4.12Å; M81-Y245 HydrophobicContact CE-CE1 4.47Å; M81-Y245 HydrophobicContact CE-CE2 4.31Å; M81-Y245 HydrophobicContact CE-CG 4.08Å; I241-Y245 WeakPolarHBondContact O-CB 3.48Å; I241-Y245 PolarHBondContact O-N 3.01Å; R242-Y245 PolarHBondContact O-N 3.2Å; E243-Y245 VanDerWaalsContact C-N 3.33Å; E243-Y245 PolarHBondContact O-N 2.89Å; Y245-L248 PolarHBondContact O-N 2.93Å
246Q79.2Confident77Confident135 Ų13587.1 Ų87.163%0.63143%0.427SS*.Hα-helixtrans-69.3-36.5176.4-75.1177.7-10.800111.9R242 E243 E244 L248 G249R242-Q246 WeakPolarHBondContact O-CG 3.49Å; R242-Q246 PolarHBondContact O-N 3.21Å; E243-Q246 PolarHBondContact O-N 2.82Å; E243-Q246 VanDerWaalsContact O-N 3.13Å; E244-Q246 VanDerWaalsContact C-N 3.31Å; E244-Q246 PolarHBondContact O-N 3.34Å; Q246-L248 PolarHBondContact O-N 2.99Å; Q246-G249 PolarHBondContact O-N 3.48Å; Q246-G249 VanDerWaalsContact O-N 3.12Å
247N81.1Confident77.7Confident119 Ų11981.2 Ų81.264%0.63641%0.412SS*.Hα-helixtrans-64-24.5175.7-83.4-40.9000113.5E243 E244 G249E243-N247 PolarHBondContact O-N 3.33Å; E243-N247 PolarHBondContact O-ND2 2.98Å; E244-N247 WeakPolarHBondContact O-CB 3.21Å; E244-N247 PolarHBondContact O-N 3.3Å; N247-G249 PolarHBondContact O-N 3.35Å
248L74.4Confident78.4Confident46 Ų4681.3 Ų81.324%0.24141%0.412CS..THydrogen-bonded Turntrans-69.9-10.9174.5-83.190.6000113.7R73 R74 L77 E244 Y245 Q246R73-L248 HydrophobicContact CB-CD2 4.2Å; R73-L248 HydrophobicContact CG-CD1 4.46Å; R73-L248 HydrophobicContact CG-CD2 4.02Å; R74-L248 HydrophobicContact CB-CD2 4.45Å; L77-L248 HydrophobicContact CD1-CD1 3.73Å; E244-L248 WeakPolarHBondContact O-CD1 3.36Å; E244-L248 PolarHBondContact O-N 3.32Å; Y245-L248 PolarHBondContact O-N 2.93Å; Q246-L248 PolarHBondContact O-N 2.99Å
249G75.4Confident78.7Confident31 Ų3180 Ų8032%0.3241%0.41SS..  trans72.2-179.9177.600000114.8R74 Q246 N247R74-G249 PolarHBondContact NH2-O 2.98Å; Q246-G249 PolarHBondContact O-N 3.48Å; Q246-G249 VanDerWaalsContact O-N 3.12Å; N247-G249 PolarHBondContact O-N 3.35Å
250P75.3Confident79.1Confident116 Ų11682 Ų8275%0.75341%0.411SS*.SBendtrans-69.7152.4178.427.8-33000112.2K252P250-K252 PolarHBondContact O-N 3.23Å
251I74.3Confident79.5Confident106 Ų10684.8 Ų84.854%0.54442%0.424SS..PPolyproline II helixtrans-58.1121.7178.446.7166.9000110
252K77.7Confident79.8Confident151 Ų15187 Ų8766%0.65743%0.434SS*.PPolyproline II helixtrans-81.8146.8174.2-68.4-177.2179.61740108.9P250 A254 E255 Q256P250-K252 PolarHBondContact O-N 3.23Å; K252-A254 PolarHBondContact O-N 3.08Å; K252-A254 VanDerWaalsContact O-N 3.08Å; K252-E255 VanDerWaalsContact O-CB 3.32Å; K252-E255 WeakPolarHBondContact O-CB 3.27Å; K252-E255 PolarHBondContact O-N 3.5Å; K252-Q256 PolarHBondContact O-N 2.89Å
253F80.9Confident80Confident184 Ų18482 Ų8281%0.80742%0.422SS*.Hα-helixtrans-51.3-35.8175.7-177.4-99.8000112.5E255 Q256 A257F253-E255 PolarHBondContact O-N 2.95Å; F253-Q256 PolarHBondContact O-N 2.94Å; F253-A257 PolarHBondContact O-N 3.12Å
254A78.1Confident80.2Confident28 Ų2881.4 Ų81.423%0.23142%0.42CS..Hα-helixtrans-65.4-34.8176.400000114.2W69 K252 Q256 A257 V258W69-A254 HydrophobicContact CD2-CB 4.31Å; W69-A254 HydrophobicContact CE3-CB 3.75Å; W69-A254 HydrophobicContact CH2-CB 3.22Å; W69-A254 HydrophobicContact CZ2-CB 3.81Å; W69-A254 HydrophobicContact CZ3-CB 3.19Å; K252-A254 PolarHBondContact O-N 3.08Å; K252-A254 VanDerWaalsContact O-N 3.08Å; A254-Q256 VanDerWaalsContact C-N 3.3Å; A254-Q256 PolarHBondContact O-N 3.21Å; A254-A257 PolarHBondContact O-N 3.21Å; A254-V258 VanDerWaalsContact O-CG2 3.3Å; A254-V258 WeakPolarHBondContact O-CG2 3.23Å; A254-V258 PolarHBondContact O-N 3.28Å
255E80.6Confident80.6Confident18 Ų1881 Ų818%0.08442%0.417CS..Hα-helixtrans-63.3-40.5175.8-177.6178.917900110.5L71 R74 K252 F253 F259L71-E255 HydrophobicContact CB-CG 4.29Å; L71-E255 HydrophobicContact CD1-CG 3.45Å; L71-E255 VanDerWaalsContact CD1-CG 3.45Å; L71-E255 WeakPolarHBondContact CD1-OE1 3.21Å; L71-E255 HydrophobicContact CG-CG 4.41Å; R74-E255 WeakPolarHBondContact CD-OE1 3.41Å; R74-E255 IonicContact CZ-OE2 3.79Å; R74-E255 IonicContact NE-OE1 2.88Å; R74-E255 PolarHBondContact NE-OE1 3.22Å; R74-E255 IonicContact NE-OE2 3.2Å; R74-E255 PolarHBondContact NE-OE2 2.97Å; R74-E255 IonicContact NH2-OE2 3.52Å; K252-E255 VanDerWaalsContact O-CB 3.32Å; K252-E255 WeakPolarHBondContact O-CB 3.27Å; K252-E255 PolarHBondContact O-N 3.5Å; F253-E255 PolarHBondContact O-N 2.95Å; E255-F259 PolarHBondContact O-N 3.49Å; E255-F259 VanDerWaalsContact O-N 3.15Å
256Q83.4Confident80.5Confident109 Ų10979.3 Ų79.351%0.50942%0.415SS..Hα-helixtrans-69.4-39.2176.6-174.4166.1-2900112.3K252 F253 A254 F259 I260K252-Q256 PolarHBondContact O-N 2.89Å; F253-Q256 PolarHBondContact O-N 2.94Å; A254-Q256 VanDerWaalsContact C-N 3.3Å; A254-Q256 PolarHBondContact O-N 3.21Å; Q256-F259 PolarHBondContact O-N 3.11Å; Q256-I260 HydrophobicContact CG-CD1 4.12Å; Q256-I260 VanDerWaalsContact O-CG1 3.29Å; Q256-I260 WeakPolarHBondContact O-CG1 3.44Å; Q256-I260 PolarHBondContact O-N 3.07Å
257A86Confident80.6Confident37 Ų3778 Ų7831%0.30641%0.411SS..Hα-helixtrans-61.6-43.2175.600000112.1F253 A254 F259 I260 L261F253-A257 PolarHBondContact O-N 3.12Å; A254-A257 PolarHBondContact O-N 3.21Å; A257-F259 VanDerWaalsContact C-N 3.34Å; A257-F259 PolarHBondContact O-N 3.1Å; A257-I260 PolarHBondContact O-N 3.19Å; A257-L261 WeakPolarHBondContact O-CG 3.48Å; A257-L261 PolarHBondContact O-N 3.31Å
258V84.3Confident80.3Confident13 Ų1376.9 Ų76.98%0.07941%0.405CS..Hα-helixtrans-65.2-38.4177.7173.80000111.6M62 I66 W69 L71 A254 L261 F262M62-V258 HydrophobicContact CE-CG1 4.04Å; I66-V258 HydrophobicContact CG1-CG1 3.83Å; W69-V258 HydrophobicContact CD2-CG2 4.44Å; W69-V258 HydrophobicContact CG-CG2 3.97Å; L71-V258 HydrophobicContact CD2-CG1 4.37Å; A254-V258 VanDerWaalsContact O-CG2 3.3Å; A254-V258 WeakPolarHBondContact O-CG2 3.23Å; A254-V258 PolarHBondContact O-N 3.28Å; V258-L261 PolarHBondContact O-N 3.36Å; V258-F262 WeakPolarHBondContact O-CB 3.48Å; V258-F262 PolarHBondContact O-N 2.98Å
259F82.5Confident80.1Confident93 Ų9377.1 Ų77.141%0.40841%0.406SS..Hα-helixtrans-63.7-43174-176.5-102000112.1L71 I75 E255 Q256 A257 F262 C263L71-F259 HydrophobicContact CD1-CB 4.48Å; L71-F259 HydrophobicContact CD2-CB 3.9Å; L71-F259 HydrophobicContact CD2-CD2 4.13Å; I75-F259 HydrophobicContact CD1-CD2 4.4Å; I75-F259 HydrophobicContact CD1-CE2 4.39Å; E255-F259 PolarHBondContact O-N 3.49Å; E255-F259 VanDerWaalsContact O-N 3.15Å; Q256-F259 PolarHBondContact O-N 3.11Å; A257-F259 VanDerWaalsContact C-N 3.34Å; A257-F259 PolarHBondContact O-N 3.1Å; F259-F262 WeakPolarHBondContact O-CB 3.36Å; F259-F262 PolarHBondContact O-N 3.07Å; F259-C263 PolarHBondContact O-N 3.44Å; F259-C263 PolarHBondContact O-SG 3.39Å
260I86.3Confident79.9Confident98 Ų9883.3 Ų83.350%0.50342%0.424SS..Hα-helixtrans-62.1-45.1176.1-68.1164.3000110.4Q256 A257 F262 C263 M264Q256-I260 HydrophobicContact CG-CD1 4.12Å; Q256-I260 VanDerWaalsContact O-CG1 3.29Å; Q256-I260 WeakPolarHBondContact O-CG1 3.44Å; Q256-I260 PolarHBondContact O-N 3.07Å; A257-I260 PolarHBondContact O-N 3.19Å; I260-F262 VanDerWaalsContact C-N 3.32Å; I260-F262 PolarHBondContact O-N 3.04Å; I260-C263 PolarHBondContact O-N 3.37Å; I260-M264 WeakPolarHBondContact O-CB 3.43Å; I260-M264 PolarHBondContact O-N 3.17Å
261L84.3Confident79.4Confident99 Ų9979.7 Ų79.752%0.51840%0.4SS..Hα-helixtrans-61.1-39.8176-73.3170.8000112M62 A257 V258 M264 F265M62-L261 HydrophobicContact CE-CB 4.01Å; A257-L261 WeakPolarHBondContact O-CG 3.48Å; A257-L261 PolarHBondContact O-N 3.31Å; V258-L261 PolarHBondContact O-N 3.36Å; L261-M264 PolarHBondContact O-N 2.97Å; L261-F265 WeakPolarHBondContact O-CB 3.43Å; L261-F265 PolarHBondContact O-N 3.49Å
262F83.1Confident78.8Confident57 Ų5778 Ų7825%0.2539%0.387CS..Hα-helixtrans-63.7-48.4175.5176.2-105.2000112.1M62 I66 V258 F259 I260 M264 F265 A266M62-F262 HydrophobicContact CE-CB 3.92Å; I66-F262 HydrophobicContact CD1-CB 4.08Å; I66-F262 HydrophobicContact CD1-CD2 3.37Å; I66-F262 HydrophobicContact CD1-CE2 3.98Å; I66-F262 HydrophobicContact CD1-CG 3.87Å; V258-F262 WeakPolarHBondContact O-CB 3.48Å; V258-F262 PolarHBondContact O-N 2.98Å; F259-F262 WeakPolarHBondContact O-CB 3.36Å; F259-F262 PolarHBondContact O-N 3.07Å; I260-F262 VanDerWaalsContact C-N 3.32Å; I260-F262 PolarHBondContact O-N 3.04Å; F262-M264 VanDerWaalsContact C-N 3.32Å; F262-M264 PolarHBondContact O-N 3.07Å; F262-F265 PolarHBondContact O-N 3.4Å; F262-A266 WeakPolarHBondContact O-CB 3.47Å; F262-A266 PolarHBondContact O-N 2.96Å
263C82.6Confident77.6Confident46 Ų4673.8 Ų73.831%0.31137%0.372SS..Hα-helixtrans-62.1-42.6177.1-72.20000111.3F259 I260 A266 I267F259-C263 PolarHBondContact O-N 3.44Å; F259-C263 PolarHBondContact O-SG 3.39Å; I260-C263 PolarHBondContact O-N 3.37Å; C263-A266 PolarHBondContact O-N 3.47Å; C263-I267 WeakPolarHBondContact O-CB 3.41Å; C263-I267 WeakPolarHBondContact O-CD1 3.06Å; C263-I267 WeakPolarHBondContact O-CG1 3.33Å; C263-I267 PolarHBondContact O-N 2.97Å
264M83.8Confident76.3Confident105 Ų10566.7 Ų66.752%0.51734%0.344SS..Hα-helixtrans-62.6-45.6177-173.9-92.3-173.200111.2I260 L261 F262 A266 I267 L268I260-M264 WeakPolarHBondContact O-CB 3.43Å; I260-M264 PolarHBondContact O-N 3.17Å; L261-M264 PolarHBondContact O-N 2.97Å; F262-M264 VanDerWaalsContact C-N 3.32Å; F262-M264 PolarHBondContact O-N 3.07Å; M264-A266 PolarHBondContact O-N 3.08Å; M264-I267 PolarHBondContact O-N 2.96Å; M264-L268 HydrophobicContact CE-CD1 3.22Å; M264-L268 HydrophobicContact CG-CD1 4Å; M264-L268 VanDerWaalsContact O-CD1 3.32Å; M264-L268 WeakPolarHBondContact O-CD1 3.27Å; M264-L268 PolarHBondContact O-N 2.88Å; M264-L268 HydrophobicContact SD-CD1 3.3Å; M264-L268 WeakPolarHBondContact SD-CD1 3.36Å
265F81.2Confident74.9Confident53 Ų5373.7 Ų73.723%0.23237%0.369CS..Hα-helixtrans-60.9-44174.4178.8-107.6000112.5M62 L261 F262 I267 L268 L269M62-F265 HydrophobicContact CG-CD1 4.48Å; L261-F265 WeakPolarHBondContact O-CB 3.43Å; L261-F265 PolarHBondContact O-N 3.49Å; F262-F265 PolarHBondContact O-N 3.4Å; F265-I267 VanDerWaalsContact C-N 3.35Å; F265-I267 PolarHBondContact O-N 3.35Å; F265-L268 PolarHBondContact O-N 3.46Å; F265-L269 HydrophobicContact CD1-CD1 3.82Å; F265-L269 HydrophobicContact CE1-CD1 3.29Å; F265-L269 HydrophobicContact CE1-CG 4.23Å; F265-L269 HydrophobicContact CE2-CD1 4.22Å; F265-L269 HydrophobicContact CE2-CG 4.35Å; F265-L269 HydrophobicContact CG-CD1 4.49Å; F265-L269 HydrophobicContact CZ-CD1 3.53Å; F265-L269 HydrophobicContact CZ-CG 4.11Å; F265-L269 WeakPolarHBondContact O-CB 3.33Å; F265-L269 PolarHBondContact O-N 2.9Å
266A76.5Confident73.9Confident21 Ų2182.7 Ų82.717%0.17441%0.408CS..Hα-helixtrans-63-41176.700000112.1W104 F262 C263 M264 L269 F270W104-A266 HydrophobicContact CH2-CB 4.12Å; W104-A266 HydrophobicContact CZ3-CB 4.02Å; F262-A266 WeakPolarHBondContact O-CB 3.47Å; F262-A266 PolarHBondContact O-N 2.96Å; C263-A266 PolarHBondContact O-N 3.47Å; M264-A266 PolarHBondContact O-N 3.08Å; A266-L269 PolarHBondContact O-N 3.43Å; A266-F270 WeakPolarHBondContact O-CB 3.41Å; A266-F270 PolarHBondContact O-N 3.41Å
267I80.6Confident72.6Confident107 Ų10783.3 Ų83.355%0.54941%0.414SS..Hα-helixtrans-65.6-43.6175.2-68.8163.8000110.4C263 M264 F265 L269 F270 T271C263-I267 WeakPolarHBondContact O-CB 3.41Å; C263-I267 WeakPolarHBondContact O-CD1 3.06Å; C263-I267 WeakPolarHBondContact O-CG1 3.33Å; C263-I267 PolarHBondContact O-N 2.97Å; M264-I267 PolarHBondContact O-N 2.96Å; F265-I267 VanDerWaalsContact C-N 3.35Å; F265-I267 PolarHBondContact O-N 3.35Å; I267-L269 VanDerWaalsContact C-N 3.33Å; I267-L269 PolarHBondContact O-N 3.3Å; I267-F270 PolarHBondContact O-N 2.93Å; I267-T271 VanDerWaalsContact O-CB 3.28Å; I267-T271 WeakPolarHBondContact O-CB 3.49Å; I267-T271 PolarHBondContact O-N 2.81Å; I267-T271 PolarHBondContact O-OG1 2.78Å
268L75.8Confident71.2Confident97 Ų9786.7 Ų86.751%0.50843%0.432SS..Hα-helixtrans-62.3-41175.7-101.1107.6000112.1M264 F265 F270 T271 R272M264-L268 HydrophobicContact CE-CD1 3.22Å; M264-L268 HydrophobicContact CG-CD1 4Å; M264-L268 VanDerWaalsContact O-CD1 3.32Å; M264-L268 WeakPolarHBondContact O-CD1 3.27Å; M264-L268 PolarHBondContact O-N 2.88Å; M264-L268 HydrophobicContact SD-CD1 3.3Å; M264-L268 WeakPolarHBondContact SD-CD1 3.36Å; F265-L268 PolarHBondContact O-N 3.46Å; L268-F270 VanDerWaalsContact C-N 3.31Å; L268-F270 PolarHBondContact O-N 3.48Å; L268-T271 CarbonylContact O-C 3.58Å; L268-T271 PolarHBondContact O-N 3.5Å; L268-R272 PolarHBondContact O-N 3.19Å
269L70.6Confident70Confident50 Ų5086.6 Ų86.626%0.26243%0.434SS..Hα-helixtrans-63-39.9176-83.3174.5000111.8L55 W104 F265 A266 I267 T271 R272L55-L269 HydrophobicContact CD2-CD2 4.45Å; W104-L269 HydrophobicContact CE3-CD1 3.98Å; W104-L269 HydrophobicContact CZ3-CB 4.02Å; W104-L269 HydrophobicContact CZ3-CD1 3.6Å; W104-L269 HydrophobicContact CZ3-CG 4.49Å; F265-L269 HydrophobicContact CD1-CD1 3.82Å; F265-L269 HydrophobicContact CE1-CD1 3.29Å; F265-L269 HydrophobicContact CE1-CG 4.23Å; F265-L269 HydrophobicContact CE2-CD1 4.22Å; F265-L269 HydrophobicContact CE2-CG 4.35Å; F265-L269 HydrophobicContact CG-CD1 4.49Å; F265-L269 HydrophobicContact CZ-CD1 3.53Å; F265-L269 HydrophobicContact CZ-CG 4.11Å; F265-L269 WeakPolarHBondContact O-CB 3.33Å; F265-L269 PolarHBondContact O-N 2.9Å; A266-L269 PolarHBondContact O-N 3.43Å; I267-L269 VanDerWaalsContact C-N 3.33Å; I267-L269 PolarHBondContact O-N 3.3Å; L269-T271 VanDerWaalsContact C-N 3.34Å; L269-R272 WeakPolarHBondContact O-CB 3.43Å; L269-R272 PolarHBondContact O-N 2.96Å
270F70Confident69.1Low161 Ų16190.8 Ų90.871%0.70645%0.447SS*.Hα-helixtrans-71.1-32.6176.6-155.3-90.3000112.3A266 I267 L268 R272A266-F270 WeakPolarHBondContact O-CB 3.41Å; A266-F270 PolarHBondContact O-N 3.41Å; I267-F270 PolarHBondContact O-N 2.93Å; L268-F270 VanDerWaalsContact C-N 3.31Å; L268-F270 PolarHBondContact O-N 3.48Å; F270-R272 VanDerWaalsContact C-N 3.33Å
271T64.6Low67.6Low40 Ų4088.7 Ų88.725%0.24545%0.445CS..THydrogen-bonded Turntrans-91.75.7-179.6-37.90000112.6I267 L268 L269 P274I267-T271 VanDerWaalsContact O-CB 3.28Å; I267-T271 WeakPolarHBondContact O-CB 3.49Å; I267-T271 PolarHBondContact O-N 2.81Å; I267-T271 PolarHBondContact O-OG1 2.78Å; L268-T271 CarbonylContact O-C 3.58Å; L268-T271 PolarHBondContact O-N 3.5Å; L269-T271 VanDerWaalsContact C-N 3.34Å; T271-P274 VanDerWaalsContact C-CD 3.43Å; T271-P274 HydrophobicContact CG2-CG 4.28Å; T271-P274 VanDerWaalsContact O-CD 3.27Å; T271-P274 WeakPolarHBondContact O-CD 3.41Å
272R63.1Low66.4Low72 Ų7288 Ų8827%0.27245%0.448SS..SBendtrans-66.1-45.4177.5-173.9168.468.1125.3-12.1112.5L268 L269 F270L268-R272 PolarHBondContact O-N 3.19Å; L269-R272 WeakPolarHBondContact O-CB 3.43Å; L269-R272 PolarHBondContact O-N 2.96Å; F270-R272 VanDerWaalsContact C-N 3.33Å
273D51.3Low65.3Low62 Ų6291.2 Ų91.233%0.33247%0.467SS..SBendtrans-147.860.1176.4-74.3-82.1000111.1K275 S294D273-K275 PolarHBondContact O-N 2.86Å; D273-S294 PolarHBondContact OD1-OG 2.67Å
274P53Low64.2Low34 Ų3497.5 Ų97.522%0.22149%0.49CS..  trans-67.8106.4171.128.8-31.4000106.7T271 F276 I277T271-P274 VanDerWaalsContact C-CD 3.43Å; T271-P274 HydrophobicContact CG2-CG 4.28Å; T271-P274 VanDerWaalsContact O-CD 3.27Å; T271-P274 WeakPolarHBondContact O-CD 3.41Å; P274-F276 PolarHBondContact O-N 3.47Å; P274-I277 PolarHBondContact O-N 3.04Å
275K50.6Low62.2Low175 Ų17599.1 Ų99.176%0.76150%0.5SS*.THydrogen-bonded Turntrans-51.2-5.2176.3-74.6178.8175.9172.10115D273D273-K275 PolarHBondContact O-N 2.86Å
276F57.8Low60.8Low207 Ų207102.3 Ų102.391%0.90853%0.526SS*.THydrogen-bonded Turntrans-88.5-24.5178.5-102.4-92.6000114.8P274P274-F276 PolarHBondContact O-N 3.47Å
277I57.5Low59.2Low123 Ų123104.6 Ų104.663%0.63155%0.552SS**SBendtrans-146.7143-176.2-55.8175.2000107.2P274 G279P274-I277 PolarHBondContact O-N 3.04Å; I277-G279 PolarHBondContact O-N 2.71Å
278P56.3Low57.2Low107 Ų107104.9 Ų104.970%0.69556%0.562SS**  trans-53.2110170.123.1-33.5000108.8
279G59.7Low55.6Low11 Ų11109.6 Ų109.611%0.11358%0.579CS.*  trans-59.2165.3-177.600000111.5I277 A281 S282I277-G279 PolarHBondContact O-N 2.71Å; G279-A281 PolarHBondContact O-N 3.5Å; G279-S282 WeakPolarHBondContact O-CB 3.48Å; G279-S282 PolarHBondContact O-N 2.84Å; G279-S282 PolarHBondContact O-OG 2.88Å
280W62.1Low54.3Low182 Ų182113.5 Ų113.569%0.68960%0.597SS**G310 helixtrans-57.5-15.6177.5-63.188.5000113.4S282 L283W280-S282 PolarHBondContact O-N 2.94Å; W280-L283 HydrophobicContact CD2-CD1 4.47Å; W280-L283 HydrophobicContact CE3-CD1 3.5Å; W280-L283 HydrophobicContact CZ3-CD1 4.02Å; W280-L283 WeakPolarHBondContact O-CB 3.42Å; W280-L283 PolarHBondContact O-N 2.88Å
281A56.4Low53.1Low54 Ų54108.3 Ų108.345%0.44659%0.589SS.*G310 helixtrans-59.3-22.5171.200000113.9G279 L283 F284G279-A281 PolarHBondContact O-N 3.5Å; A281-L283 VanDerWaalsContact C-N 3.28Å; A281-L283 PolarHBondContact O-N 2.82Å; A281-F284 PolarHBondContact O-N 2.94Å
282S58.5Low52.2Low83 Ų83111.7 Ų111.758%0.5860%0.604SS**G310 helixtrans-74-13.8177.360.60000114.5G279 W280 F284G279-S282 WeakPolarHBondContact O-CB 3.48Å; G279-S282 PolarHBondContact O-N 2.84Å; G279-S282 PolarHBondContact O-OG 2.88Å; W280-S282 PolarHBondContact O-N 2.94Å; S282-F284 VanDerWaalsContact C-N 3.3Å
283L58.9Low51.4Low126 Ų126110.8 Ų110.866%0.6661%0.605SS**G310 helixtrans-77.2-14.2176-86.7149.6000113.3W280 A281W280-L283 HydrophobicContact CD2-CD1 4.47Å; W280-L283 HydrophobicContact CE3-CD1 3.5Å; W280-L283 HydrophobicContact CZ3-CD1 4.02Å; W280-L283 WeakPolarHBondContact O-CB 3.42Å; W280-L283 PolarHBondContact O-N 2.88Å; A281-L283 VanDerWaalsContact C-N 3.28Å; A281-L283 PolarHBondContact O-N 2.82Å
284F60.1Low50.7Low178 Ų178109.4 Ų109.478%0.78160%0.599SS**SBendtrans-95.7111.6175.6-66.2-78.3000109.8A281 S282A281-F284 PolarHBondContact O-N 2.94Å; S282-F284 VanDerWaalsContact C-N 3.3Å
285N42.8Very low50.2Low139 Ų139112.1 Ų112.174%0.74361%0.611SS**  trans-39.5139-175.5-139.87.1000113.9G287 C288N285-G287 PolarHBondContact O-N 3.47Å; N285-C288 PolarHBondContact O-N 3.29Å
286P50Low49.5Very low119 Ų119106.4 Ų106.477%0.77359%0.594SS**THydrogen-bonded Turntrans-67.85-176.326.7-35.2000115.8
287G42.8Very low48.5Very low69 Ų6999.7 Ų99.771%0.71157%0.569SS**THydrogen-bonded Turntrans-83.8-20.3178.700000114.9N285 K289N285-G287 PolarHBondContact O-N 3.47Å; G287-K289 PolarHBondContact O-N 3.11Å
288C38.6Very low47.6Very low113 Ų11397.5 Ų97.576%0.76456%0.558SS**  trans-92.482.3171.6-89.70000109.3N285 M290N285-C288 PolarHBondContact O-N 3.29Å; C288-M290 PolarHBondContact O-N 3.48Å
289K42.8Very low46.4Very low197 Ų19798.7 Ų98.786%0.85755%0.554SS**  trans-68.661159.7-66.6-178.3-178.5176.10109.8G287G287-K289 PolarHBondContact O-N 3.11Å
290M43.2Very low45Very low131 Ų131107.5 Ų107.565%0.64559%0.59SS**  trans-64.2131.6143.5-142.999.7-79.800103.7C288 I292C288-M290 PolarHBondContact O-N 3.48Å; M290-I292 HydrophobicContact CB-CG1 4.16Å; M290-I292 PolarHBondContact O-N 3.11Å
291G46Very low43.5Very low53 Ų53108 Ų10855%0.54660%0.602SS.*  trans-68.266.9-178.200000111.3D51 I293D51-G291 VanDerWaalsContact OD2-C 3.26Å; D51-G291 VanDerWaalsContact OD2-O 3.09Å; G291-I293 PolarHBondContact O-N 3.45Å
292I45.6Very low42.9Very low110 Ų110110.7 Ų110.756%0.56461%0.609SS**  trans-71.689.5177.1-56.7-177.1000105.7D51 M290 S294D51-I292 WeakPolarHBondContact OD2-CA 3.24Å; D51-I292 WeakPolarHBondContact OD2-CG1 3.41Å; D51-I292 PolarHBondContact OD2-N 2.94Å; M290-I292 HydrophobicContact CB-CG1 4.16Å; M290-I292 PolarHBondContact O-N 3.11Å; I292-S294 VanDerWaalsContact C-N 3.25Å; I292-S294 PolarHBondContact O-N 2.99Å
293I44.4Very low42.1Very low54 Ų54112.1 Ų112.128%0.27761%0.611SS.*  trans-62.294.4172.3-63.3157.8000105.9G291 I295 I298G291-I293 PolarHBondContact O-N 3.45Å; I293-I295 PolarHBondContact O-N 3.38Å; I293-I298 HydrophobicContact CG2-CD1 3.98Å; I293-I298 HydrophobicContact CG2-CG1 3.91Å
294S37.5Very low41.1Very low32 Ų32111.3 Ų111.322%0.22461%0.608CS.*  trans-52.7132.8161.4-176.60000106.9D273 I292 S296 T297D273-S294 PolarHBondContact OD1-OG 2.67Å; I292-S294 VanDerWaalsContact C-N 3.25Å; I292-S294 PolarHBondContact O-N 2.99Å; S294-S296 WeakPolarHBondContact CB-OG 3.38Å; S294-S296 PolarHBondContact O-N 2.82Å; S294-S296 PolarHBondContact OG-OG 3.36Å; S294-T297 PolarHBondContact O-N 2.94Å
295I41.8Very low40Very low92 Ų92107.4 Ų107.447%0.47260%0.598SS.*THydrogen-bonded Turntrans-54.2-18.6179.4-60.9166.6000111.2I293 I298I293-I295 PolarHBondContact O-N 3.38Å; I295-I298 PolarHBondContact O-N 2.96Å
296S36Very low39.8Very low55 Ų55105.4 Ų105.439%0.38559%0.589SS.*THydrogen-bonded Turntrans-65.6-28.5172.864.20000115.1S294 Q299S294-S296 WeakPolarHBondContact CB-OG 3.38Å; S294-S296 PolarHBondContact O-N 2.82Å; S294-S296 PolarHBondContact OG-OG 3.36Å; S296-Q299 PolarHBondContact O-N 3.39Å
297T37.7Very low39.2Very low65 Ų65104.5 Ų104.540%0.39958%0.577SS.*THydrogen-bonded Turntrans-76.2-26.2178.3-50.90000112S294 Q299 K300 M301S294-T297 PolarHBondContact O-N 2.94Å; T297-Q299 PolarHBondContact O-N 3.4Å; T297-K300 PolarHBondContact O-N 3.43Å; T297-M301 HydrophobicContact CG2-CE 3.93Å; T297-M301 PolarHBondContact O-N 3.33Å
298I38.6Very low38.9Very low78 Ų78107.1 Ų107.140%0.457%0.567SS.*THydrogen-bonded Turntrans-73.3-17.8173.4-64.7171.4000111.6A174 I293 I295A174-I298 HydrophobicContact CB-CD1 3.95Å; I293-I298 HydrophobicContact CG2-CD1 3.98Å; I293-I298 HydrophobicContact CG2-CG1 3.91Å; I295-I298 PolarHBondContact O-N 2.96Å
299Q30.5Very low38.9Very low131 Ų131106.6 Ų106.661%0.61255%0.552SS**THydrogen-bonded Turntrans-92.4-7176.5-135-145.9-50.300113.9S296 T297S296-Q299 PolarHBondContact O-N 3.39Å; T297-Q299 PolarHBondContact O-N 3.4Å
300K30.4Very low38.6Very low197 Ų19799.1 Ų99.186%0.85753%0.527SS*.THydrogen-bonded Turntrans-116.6-1.1-178.8-81.1-174.7174.4-179.20114.1T297T297-K300 PolarHBondContact O-N 3.43Å
301M31.7Very low38.2Very low191 Ų19196.2 Ų96.294%0.94152%0.516SS*.  trans-104.80166.2-79.9-163.2-8300110.6T297T297-M301 HydrophobicContact CG2-CE 3.93Å; T297-M301 PolarHBondContact O-N 3.33Å

Retrieved 301 of 301 residues in 50.9 ms (Link to these results)

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