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Tetraspanin-31

AlphaFold DB , UniProt , Accession Q12999, Species HUMAN (Homo sapiens, Human), Gene TSPAN31, Length 210 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
1M41.8Very low78Confident241 Ų24173.1 Ų73.1100%1.18745%0.445SS*.  094.30-72.1162.9132.200108.4C3M1-C3 PolarHBondContact O-N 3.42Å
2V51.7Low79.5Confident141 Ų14170 Ų7086%0.85543%0.432SS*.  trans-72.3102.1170.5-179.30000105.7G4V2-G4 PolarHBondContact O-N 3.11Å
3C59.5Low80.8Confident83 Ų8364.6 Ų64.656%0.56140%0.399SS*.  trans-7472.8-172.9-154.20000109.3M1 C8M1-C3 PolarHBondContact O-N 3.42Å; C3-C8 HydrophobicContact CB-CB 3.93Å; C3-C8 WeakPolarHBondContact CB-SG 3.44Å; C3-C8 PolarHBondContact O-SG 3.02Å; C3-C8 VanDerWaalsContact O-SG 3.4Å; C3-C8 WeakPolarHBondContact SG-CB 3.02Å; C3-C8 CovalentContact SG-SG 2.01Å; C3-C8 PolarHBondContact SG-SG 3.44Å
4G69.2Low82Confident20 Ų2061.6 Ų61.621%0.20638%0.381CS..  trans-106.51-166.100000115.9V2 R195 Q199V2-G4 PolarHBondContact O-N 3.11Å; G4-R195 VanDerWaalsContact CA-CZ 3.49Å; G4-R195 PolarHBondContact O-NH2 3.35Å; G4-Q199 PolarHBondContact O-NE2 2.99Å
5G85.7Confident83Confident43 Ų4361.2 Ų61.244%0.44339%0.387SS..SBendtrans-84.9164.3179.500000113.3A7 C8 S9G5-A7 VanDerWaalsContact C-N 3.34Å; G5-A7 PolarHBondContact O-N 3.43Å; G5-C8 PolarHBondContact O-N 3.04Å; G5-S9 PolarHBondContact O-N 3.02Å; G5-S9 VanDerWaalsContact O-N 3.09Å
6F88.1Confident83.9Confident29 Ų2959.3 Ų59.313%0.12737%0.372CS..Hα-helixtrans-48.9-49.6179.5-177.3-93.4000113.6C8 S9 K10 H70 F196 Q199 D201 P202F6-C8 VanDerWaalsContact C-N 3.29Å; F6-C8 PolarHBondContact O-N 3.35Å; F6-S9 PolarHBondContact O-N 3.21Å; F6-K10 HydrophobicContact CE1-CD 4.37Å; F6-K10 WeakPolarHBondContact O-CB 3.47Å; F6-K10 PolarHBondContact O-N 3.33Å; F6-H70 AromaticContact CE2-CD2 3.35Å; F6-H70 WeakPolarHBondContact CE2-CD2 3.5Å; F6-H70 AromaticContact CE2-NE2 3.57Å; F6-H70 AromaticContact CZ-CD2 3.62Å; F6-F196 HydrophobicContact CD1-CE2 4.41Å; F6-F196 HydrophobicContact CD2-CD2 4.24Å; F6-F196 AromaticContact CD2-CE2 3.8Å; F6-F196 HydrophobicContact CD2-CE2 3.8Å; F6-F196 HydrophobicContact CE1-CE2 4.18Å; F6-F196 HydrophobicContact CE2-CD2 4.26Å; F6-F196 AromaticContact CE2-CE2 3.55Å; F6-F196 HydrophobicContact CE2-CE2 3.55Å; F6-F196 HydrophobicContact CE2-CZ 4.11Å; F6-F196 HydrophobicContact CG-CE2 4.24Å; F6-F196 AromaticContact CZ-CE2 3.75Å; F6-F196 HydrophobicContact CZ-CE2 3.75Å; F6-F196 HydrophobicContact CZ-CZ 4.01Å; F6-Q199 VanDerWaalsContact CA-OE1 3.31Å; F6-Q199 HydrophobicContact CD2-CB 3.91Å; F6-D201 HydrophobicContact CE2-CB 4.04Å; F6-D201 HydrophobicContact CZ-CB 3.87Å; F6-P202 HydrophobicContact CD1-CG 4.16Å; F6-P202 HydrophobicContact CG-CG 4.45Å
7A89.2Confident84.7Confident64 Ų6455.8 Ų55.853%0.52935%0.35SS..Hα-helixtrans-62.9-35.7-179.400000112.7G5 N11G5-A7 VanDerWaalsContact C-N 3.34Å; G5-A7 PolarHBondContact O-N 3.43Å; A7-N11 WeakPolarHBondContact O-CB 3.47Å; A7-N11 PolarHBondContact O-N 2.89Å; A7-N11 PolarHBondContact O-OD1 3.31Å
8C91.8Very high85.4Confident31 Ų3156.4 Ų56.421%0.20935%0.354CS..Hα-helixtrans-72-46.1179.2-168.60000111.9C3 G5 F6 K10 N11 A12C3-C8 HydrophobicContact CB-CB 3.93Å; C3-C8 WeakPolarHBondContact CB-SG 3.44Å; C3-C8 PolarHBondContact O-SG 3.02Å; C3-C8 VanDerWaalsContact O-SG 3.4Å; C3-C8 WeakPolarHBondContact SG-CB 3.02Å; C3-C8 CovalentContact SG-SG 2.01Å; C3-C8 PolarHBondContact SG-SG 3.44Å; G5-C8 PolarHBondContact O-N 3.04Å; F6-C8 VanDerWaalsContact C-N 3.29Å; F6-C8 PolarHBondContact O-N 3.35Å; C8-K10 VanDerWaalsContact C-N 3.29Å; C8-K10 PolarHBondContact O-N 3.16Å; C8-N11 PolarHBondContact O-N 2.78Å; C8-A12 VanDerWaalsContact O-CB 3.28Å; C8-A12 WeakPolarHBondContact O-CB 3.46Å; C8-A12 PolarHBondContact O-N 2.73Å
9S92.8Very high86.1Confident2 Ų257.5 Ų57.51%0.01436%0.359CS..Hα-helixtrans-60.5-40.9175.4-62.90000111.4G5 F6 L13G5-S9 PolarHBondContact O-N 3.02Å; G5-S9 VanDerWaalsContact O-N 3.09Å; F6-S9 PolarHBondContact O-N 3.21Å; S9-L13 VanDerWaalsContact O-CB 3.27Å; S9-L13 WeakPolarHBondContact O-CB 3.49Å; S9-L13 PolarHBondContact O-N 3.37Å
10K93.9Very high86.7Confident43 Ų4355.6 Ų55.619%0.18735%0.345CS..Hα-helixtrans-57.9-54.5172.8-172.5171.7-176.71640111.9F6 C8 A12 L13 C14 A67 V68 F196F6-K10 HydrophobicContact CE1-CD 4.37Å; F6-K10 WeakPolarHBondContact O-CB 3.47Å; F6-K10 PolarHBondContact O-N 3.33Å; C8-K10 VanDerWaalsContact C-N 3.29Å; C8-K10 PolarHBondContact O-N 3.16Å; K10-A12 PolarHBondContact O-N 2.82Å; K10-L13 PolarHBondContact O-N 3.38Å; K10-C14 WeakPolarHBondContact O-CB 3.43Å; K10-C14 PolarHBondContact O-N 3.42Å; K10-C14 PolarHBondContact O-SG 2.74Å; K10-A67 WeakPolarHBondContact CE-O 3.4Å; K10-V68 WeakPolarHBondContact CE-O 3.43Å; K10-V68 PolarHBondContact NZ-O 3.06Å; K10-F196 HydrophobicContact CB-CD2 4.37Å; K10-F196 HydrophobicContact CB-CE2 3.56Å; K10-F196 HydrophobicContact CB-CZ 3.79Å; K10-F196 HydrophobicContact CD-CZ 4.25Å; K10-F196 HydrophobicContact CG-CE2 4.18Å; K10-F196 HydrophobicContact CG-CZ 3.89Å
11N94.6Very high87.2Confident107 Ų10755.2 Ų55.257%0.57234%0.34SS*.Hα-helixtrans-65.2-40.1-176.2-70-0.4000112A7 C8 C14 A15A7-N11 WeakPolarHBondContact O-CB 3.47Å; A7-N11 PolarHBondContact O-N 2.89Å; A7-N11 PolarHBondContact O-OD1 3.31Å; C8-N11 PolarHBondContact O-N 2.78Å; N11-C14 PolarHBondContact O-N 2.95Å; N11-A15 VanDerWaalsContact O-CB 3.26Å; N11-A15 WeakPolarHBondContact O-CB 3.31Å; N11-A15 PolarHBondContact O-N 3.12Å
12A95.5Very high89.9Confident36 Ų3648.6 Ų48.630%0.29831%0.309SS..Hα-helixtrans-63.8-44.2176.400000111.5C8 K10 A15 L16 L192C8-A12 VanDerWaalsContact O-CB 3.28Å; C8-A12 WeakPolarHBondContact O-CB 3.46Å; C8-A12 PolarHBondContact O-N 2.73Å; K10-A12 PolarHBondContact O-N 2.82Å; A12-A15 PolarHBondContact O-N 2.73Å; A12-L16 WeakPolarHBondContact O-CB 2.92Å; A12-L16 PolarHBondContact O-N 2.8Å; A12-L192 HydrophobicContact CB-CD1 4.02Å; A12-L192 HydrophobicContact CB-CD2 4.44Å
13L96.3Very high92Very high0 Ų043.5 Ų43.50%028%0.278CS..Hα-helixtrans-67.7-39.7178.1-170.862.6000111.9S9 K10 N17 A67 L75 Y78 L192 A193 F196S9-L13 VanDerWaalsContact O-CB 3.27Å; S9-L13 WeakPolarHBondContact O-CB 3.49Å; S9-L13 PolarHBondContact O-N 3.37Å; K10-L13 PolarHBondContact O-N 3.38Å; L13-N17 PolarHBondContact O-N 2.69Å; L13-N17 VanDerWaalsContact O-N 3.09Å; L13-N17 PolarHBondContact O-ND2 2.94Å; L13-A67 HydrophobicContact CB-CB 4.3Å; L13-A67 HydrophobicContact CD2-CB 3.84Å; L13-A67 HydrophobicContact CG-CB 3.99Å; L13-L75 HydrophobicContact CD2-CD2 3.74Å; L13-Y78 HydrophobicContact CD1-CE1 4.06Å; L13-L192 HydrophobicContact CD1-CB 4.49Å; L13-A193 HydrophobicContact CD1-CB 4.26Å; L13-A193 HydrophobicContact CD2-CB 4.18Å; L13-F196 HydrophobicContact CD2-CD1 3.97Å
14C97.2Very high93.9Very high22 Ų2239.6 Ų39.615%0.14925%0.252CS..Hα-helixtrans-61.7-47.8172.2-71.10000111.4K10 N11 L16 N17 V18 L64K10-C14 WeakPolarHBondContact O-CB 3.43Å; K10-C14 PolarHBondContact O-N 3.42Å; K10-C14 PolarHBondContact O-SG 2.74Å; N11-C14 PolarHBondContact O-N 2.95Å; C14-L16 VanDerWaalsContact C-N 3.35Å; C14-L16 PolarHBondContact O-N 2.85Å; C14-N17 PolarHBondContact O-N 2.81Å; C14-V18 WeakPolarHBondContact O-CG2 3.43Å; C14-V18 PolarHBondContact O-N 3.43Å; C14-L64 HydrophobicContact CB-CD1 3.91Å
15A97.4Very high95.2Very high56 Ų5643 Ų4346%0.46327%0.265SS..Hα-helixtrans-61.1-43.5179.400000111.8N11 A12 N17 V18 V19N11-A15 VanDerWaalsContact O-CB 3.26Å; N11-A15 WeakPolarHBondContact O-CB 3.31Å; N11-A15 PolarHBondContact O-N 3.12Å; A12-A15 PolarHBondContact O-N 2.73Å; A15-N17 PolarHBondContact O-N 2.72Å; A15-V18 PolarHBondContact O-N 2.69Å; A15-V19 WeakPolarHBondContact O-CG2 3.47Å; A15-V19 PolarHBondContact O-N 3.1Å
16L97Very high95.8Very high30 Ų3046.6 Ų46.616%0.15727%0.273CS..Hα-helixtrans-58.4-47.5176.1-173.872.3000111.5A12 C14 V18 V19 Y20A12-L16 WeakPolarHBondContact O-CB 2.92Å; A12-L16 PolarHBondContact O-N 2.8Å; C14-L16 VanDerWaalsContact C-N 3.35Å; C14-L16 PolarHBondContact O-N 2.85Å; L16-V18 PolarHBondContact O-N 3.24Å; L16-V19 WeakPolarHBondContact O-CB 3.32Å; L16-V19 PolarHBondContact O-N 3.39Å; L16-Y20 HydrophobicContact CD1-CE1 4.18Å; L16-Y20 HydrophobicContact CD1-CE2 4.21Å; L16-Y20 HydrophobicContact CD2-CE2 3.91Å; L16-Y20 HydrophobicContact CG-CD2 4.27Å; L16-Y20 HydrophobicContact CG-CE1 4.48Å; L16-Y20 HydrophobicContact CG-CE2 3.7Å; L16-Y20 PolarHBondContact O-N 3.26Å
17N98.1Very high96.1Very high0 Ų048.1 Ų48.10%028%0.282CS..Hα-helixtrans-67.5-34.8178.9-79.6-77.4000112.7L13 C14 A15 V19 Y20 M21 A60 L64 Y78L13-N17 PolarHBondContact O-N 2.69Å; L13-N17 VanDerWaalsContact O-N 3.09Å; L13-N17 PolarHBondContact O-ND2 2.94Å; C14-N17 PolarHBondContact O-N 2.81Å; A15-N17 PolarHBondContact O-N 2.72Å; N17-V19 VanDerWaalsContact C-N 3.34Å; N17-Y20 PolarHBondContact O-N 3.35Å; N17-M21 WeakPolarHBondContact O-CG 3.05Å; N17-M21 PolarHBondContact O-N 3.16Å; N17-A60 WeakPolarHBondContact OD1-CA 3.27Å; N17-A60 PolarHBondContact OD1-O 3.43Å; N17-L64 HydrophobicContact CB-CB 4.03Å; N17-Y78 PolarHBondContact ND2-OH 3.41Å; N17-Y78 VanDerWaalsContact OD1-CE2 3.28Å; N17-Y78 WeakPolarHBondContact OD1-CE2 3.49Å; N17-Y78 PolarHBondContact OD1-OH 3.39Å
18V98.2Very high96.4Very high68 Ų6847 Ų4741%0.41227%0.267SS..Hα-helixtrans-62-42.9171.91700000110.8C14 A15 L16 Y20 M21 L22 L64C14-V18 WeakPolarHBondContact O-CG2 3.43Å; C14-V18 PolarHBondContact O-N 3.43Å; A15-V18 PolarHBondContact O-N 2.69Å; L16-V18 PolarHBondContact O-N 3.24Å; V18-Y20 PolarHBondContact O-N 2.93Å; V18-M21 WeakPolarHBondContact O-CB 3.49Å; V18-M21 PolarHBondContact O-N 2.97Å; V18-L22 WeakPolarHBondContact O-CG 3.05Å; V18-L22 PolarHBondContact O-N 3.5Å; V18-L64 HydrophobicContact CG2-CD1 4.35Å; V18-L64 HydrophobicContact CG2-CD2 4.46Å
19V97.7Very high96.6Very high76 Ų7647.4 Ų47.446%0.46128%0.276SS..Hα-helixtrans-61.2-44.9174.6172.20000111A15 L16 N17 M21 L22 V23A15-V19 WeakPolarHBondContact O-CG2 3.47Å; A15-V19 PolarHBondContact O-N 3.1Å; L16-V19 WeakPolarHBondContact O-CB 3.32Å; L16-V19 PolarHBondContact O-N 3.39Å; N17-V19 VanDerWaalsContact C-N 3.34Å; V19-M21 VanDerWaalsContact C-N 3.33Å; V19-M21 PolarHBondContact O-N 2.84Å; V19-L22 PolarHBondContact O-N 2.04Å; V19-L22 VanDerWaalsContact O-N 3.17Å; V19-V23 HydrophobicContact CG1-CG2 4.45Å; V19-V23 WeakPolarHBondContact O-CG2 3.07Å; V19-V23 PolarHBondContact O-N 3.34Å
20Y97.5Very high96.6Very high19 Ų1952.3 Ų52.38%0.07531%0.306CS..Hα-helixtrans-62.8-36.8175.7-66.4-22.1000113.3L16 N17 V18 V23 S24 L82 F182 T185 E186L16-Y20 HydrophobicContact CD1-CE1 4.18Å; L16-Y20 HydrophobicContact CD1-CE2 4.21Å; L16-Y20 HydrophobicContact CD2-CE2 3.91Å; L16-Y20 HydrophobicContact CG-CD2 4.27Å; L16-Y20 HydrophobicContact CG-CE1 4.48Å; L16-Y20 HydrophobicContact CG-CE2 3.7Å; L16-Y20 PolarHBondContact O-N 3.26Å; N17-Y20 PolarHBondContact O-N 3.35Å; V18-Y20 PolarHBondContact O-N 2.93Å; Y20-V23 PolarHBondContact O-N 2.95Å; Y20-S24 WeakPolarHBondContact O-CB 3.43Å; Y20-S24 PolarHBondContact O-N 3.31Å; Y20-S24 PolarHBondContact O-OG 3.08Å; Y20-L82 HydrophobicContact CE2-CD1 4.31Å; Y20-F182 HydrophobicContact CE1-CD1 4.16Å; Y20-F182 HydrophobicContact CE1-CE1 4.48Å; Y20-T185 WeakPolarHBondContact CE1-OG1 3.37Å; Y20-T185 VanDerWaalsContact OH-CB 3.31Å; Y20-T185 WeakPolarHBondContact OH-CB 3.38Å; Y20-T185 PolarHBondContact OH-O 3.43Å; Y20-T185 PolarHBondContact OH-OG1 3.04Å; Y20-E186 WeakPolarHBondContact OH-CA 3.5Å; Y20-E186 PolarHBondContact OH-N 3.01Å; Y20-E186 VanDerWaalsContact OH-N 3.15Å
21M98.1Very high96.4Very high49 Ų4950.9 Ų50.924%0.24130%0.302CS..Hα-helixtrans-61-45.7172-73.3-177.964.500111.3N17 V18 V19 S24 L25 L57 A60 V61 L64N17-M21 WeakPolarHBondContact O-CG 3.05Å; N17-M21 PolarHBondContact O-N 3.16Å; V18-M21 WeakPolarHBondContact O-CB 3.49Å; V18-M21 PolarHBondContact O-N 2.97Å; V19-M21 VanDerWaalsContact C-N 3.33Å; V19-M21 PolarHBondContact O-N 2.84Å; M21-S24 WeakPolarHBondContact O-CB 3.36Å; M21-S24 PolarHBondContact O-N 3.09Å; M21-L25 WeakPolarHBondContact O-CG 3.27Å; M21-L25 PolarHBondContact O-N 2.78Å; M21-L57 HydrophobicContact CB-CD1 4.24Å; M21-L57 HydrophobicContact CE-CD1 4.26Å; M21-L57 HydrophobicContact CG-CD1 4.13Å; M21-A60 HydrophobicContact CB-CB 4.47Å; M21-A60 HydrophobicContact CG-CB 3.58Å; M21-V61 HydrophobicContact CE-CG2 3.95Å; M21-V61 HydrophobicContact CG-CG2 4.49Å; M21-V61 HydrophobicContact SD-CG2 4.09Å; M21-L64 HydrophobicContact SD-CD2 3.91Å
22L98Very high96.3Very high102 Ų10248.1 Ų48.153%0.53430%0.295SS..Hα-helixtrans-62.2-45.3178-67.4176.2000111.8V18 V19 S24 L25 L26V18-L22 WeakPolarHBondContact O-CG 3.05Å; V18-L22 PolarHBondContact O-N 3.5Å; V19-L22 PolarHBondContact O-N 2.04Å; V19-L22 VanDerWaalsContact O-N 3.17Å; L22-S24 VanDerWaalsContact C-N 3.29Å; L22-S24 PolarHBondContact O-N 2.81Å; L22-L25 PolarHBondContact O-N 3.18Å; L22-L26 WeakPolarHBondContact O-CB 3.4Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 2.93Å; L22-L26 PolarHBondContact O-N 3.32Å
23V97Very high96Very high34 Ų3455.2 Ų55.221%0.20631%0.314CS..Hα-helixtrans-59.5-42.8175.7172.50000110.7V19 Y20 L26 L27 F182V19-V23 HydrophobicContact CG1-CG2 4.45Å; V19-V23 WeakPolarHBondContact O-CG2 3.07Å; V19-V23 PolarHBondContact O-N 3.34Å; Y20-V23 PolarHBondContact O-N 2.95Å; V23-L26 PolarHBondContact O-N 3.28Å; V23-L27 HydrophobicContact CG1-CD1 4.28Å; V23-L27 WeakPolarHBondContact O-CG 3.46Å; V23-L27 PolarHBondContact O-N 2.88Å; V23-F182 HydrophobicContact CB-CZ 4.41Å; V23-F182 HydrophobicContact CG1-CE1 4.21Å; V23-F182 HydrophobicContact CG1-CE2 4.44Å; V23-F182 HydrophobicContact CG1-CZ 3.75Å; V23-F182 HydrophobicContact CG2-CE1 3.97Å; V23-F182 HydrophobicContact CG2-CZ 3.8Å
24S98.1Very high95.6Very high1 Ų155.8 Ų55.81%0.00732%0.32CS..Hα-helixtrans-63.1-45.7178.4-57.30000112.2Y20 M21 L22 L26 L27 I28 G53 L56 L57Y20-S24 WeakPolarHBondContact O-CB 3.43Å; Y20-S24 PolarHBondContact O-N 3.31Å; Y20-S24 PolarHBondContact O-OG 3.08Å; M21-S24 WeakPolarHBondContact O-CB 3.36Å; M21-S24 PolarHBondContact O-N 3.09Å; L22-S24 VanDerWaalsContact C-N 3.29Å; L22-S24 PolarHBondContact O-N 2.81Å; S24-L26 VanDerWaalsContact C-N 3.33Å; S24-L26 PolarHBondContact O-N 2.99Å; S24-L27 PolarHBondContact O-N 3.35Å; S24-I28 VanDerWaalsContact O-CG1 3.31Å; S24-I28 WeakPolarHBondContact O-CG1 3.07Å; S24-I28 PolarHBondContact O-N 2.94Å; S24-G53 WeakPolarHBondContact CB-O 3.48Å; S24-L56 WeakPolarHBondContact OG-CB 3.32Å; S24-L57 PolarHBondContact OG-N 3.19Å
25L98Very high94.9Very high92 Ų9260.8 Ų60.848%0.48234%0.339SS..Hα-helixtrans-64.5-37.8176.4-68.7174.8000112M21 L22 G29 L57M21-L25 WeakPolarHBondContact O-CG 3.27Å; M21-L25 PolarHBondContact O-N 2.78Å; L22-L25 PolarHBondContact O-N 3.18Å; L25-G29 PolarHBondContact O-N 3.38Å; L25-L57 HydrophobicContact CD2-CD1 4.4Å; L25-L57 HydrophobicContact CD2-CD2 4.19Å; L25-L57 HydrophobicContact CG-CD1 4.4Å
26L96.6Very high94.1Very high117 Ų11761.5 Ų61.561%0.61335%0.352SS*.Hα-helixtrans-63.4-45.7174.2-75.5168.4000111.6L22 V23 S24 I28 G29 V30L22-L26 WeakPolarHBondContact O-CB 3.4Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 2.93Å; L22-L26 PolarHBondContact O-N 3.32Å; V23-L26 PolarHBondContact O-N 3.28Å; S24-L26 VanDerWaalsContact C-N 3.33Å; S24-L26 PolarHBondContact O-N 2.99Å; L26-I28 PolarHBondContact O-N 3.36Å; L26-G29 PolarHBondContact O-N 3.47Å; L26-V30 WeakPolarHBondContact O-CB 3.39Å; L26-V30 VanDerWaalsContact O-CG2 3.31Å; L26-V30 WeakPolarHBondContact O-CG2 3.42Å; L26-V30 PolarHBondContact O-N 2.96Å
27L94.9Very high93.4Very high62 Ų6264.7 Ų64.733%0.32537%0.369SS..Hα-helixtrans-59.7-46.7177.2-72.8173.9000111.8V23 S24 A31 L56V23-L27 HydrophobicContact CG1-CD1 4.28Å; V23-L27 WeakPolarHBondContact O-CG 3.46Å; V23-L27 PolarHBondContact O-N 2.88Å; S24-L27 PolarHBondContact O-N 3.35Å; L27-A31 VanDerWaalsContact O-CB 3.26Å; L27-A31 WeakPolarHBondContact O-CB 3.26Å; L27-A31 PolarHBondContact O-N 2.58Å; L27-A31 VanDerWaalsContact O-N 3.08Å; L27-L56 HydrophobicContact CD1-CD1 4.12Å
28I96.1Very high92.2Very high39 Ų3967.4 Ų67.420%0.240%0.397CS..Hα-helixtrans-62.8-47.5177.1-63.8166.1000110.2S24 L26 A31 A32 V54S24-I28 VanDerWaalsContact O-CG1 3.31Å; S24-I28 WeakPolarHBondContact O-CG1 3.07Å; S24-I28 PolarHBondContact O-N 2.94Å; L26-I28 PolarHBondContact O-N 3.36Å; I28-A31 PolarHBondContact O-N 3.05Å; I28-A32 VanDerWaalsContact O-CB 3.25Å; I28-A32 WeakPolarHBondContact O-CB 3.34Å; I28-A32 PolarHBondContact O-N 2.88Å; I28-V54 HydrophobicContact CD1-CG2 3.95Å; I28-V54 HydrophobicContact CG1-CG2 4.45Å
29G94.7Very high90.6Very high40 Ų4070.5 Ų70.541%0.41241%0.41SS..Hα-helixtrans-61.6-48.1-177.900000112.9L25 L26 A32 W33L25-G29 PolarHBondContact O-N 3.38Å; L26-G29 PolarHBondContact O-N 3.47Å; G29-A32 PolarHBondContact O-N 3.37Å; G29-W33 VanDerWaalsContact O-CB 3.24Å; G29-W33 WeakPolarHBondContact O-CB 3.37Å; G29-W33 PolarHBondContact O-N 3.29Å
30V92.8Very high89Confident106 Ų10669.8 Ų69.864%0.64241%0.406SS*.Hα-helixtrans-65.2-41.6178.8172.70000111.2L26 W33 G34L26-V30 WeakPolarHBondContact O-CB 3.39Å; L26-V30 VanDerWaalsContact O-CG2 3.31Å; L26-V30 WeakPolarHBondContact O-CG2 3.42Å; L26-V30 PolarHBondContact O-N 2.96Å; V30-W33 PolarHBondContact O-N 3.46Å; V30-G34 PolarHBondContact O-N 3.24Å
31A91.5Very high87.1Confident12 Ų1272.8 Ų72.810%0.09943%0.43CS..Hα-helixtrans-67-42.5177.900000112.3L27 I28 G34 K35 V49 I50L27-A31 VanDerWaalsContact O-CB 3.26Å; L27-A31 WeakPolarHBondContact O-CB 3.26Å; L27-A31 PolarHBondContact O-N 2.58Å; L27-A31 VanDerWaalsContact O-N 3.08Å; I28-A31 PolarHBondContact O-N 3.05Å; A31-G34 PolarHBondContact O-N 2.97Å; A31-K35 PolarHBondContact O-N 2.93Å; A31-V49 HydrophobicContact CB-CB 4.14Å; A31-V49 HydrophobicContact CB-CG1 3.84Å; A31-I50 HydrophobicContact CB-CD1 4.33Å; A31-I50 HydrophobicContact CB-CG1 3.64Å
32A91.2Very high85.8Confident50 Ų5072.5 Ų72.541%0.41343%0.433SS..Hα-helixtrans-64.8-41.3175.900000111.8I28 G29 K35 G36I28-A32 VanDerWaalsContact O-CB 3.25Å; I28-A32 WeakPolarHBondContact O-CB 3.34Å; I28-A32 PolarHBondContact O-N 2.88Å; G29-A32 PolarHBondContact O-N 3.37Å; A32-K35 WeakPolarHBondContact O-CB 3.24Å; A32-K35 PolarHBondContact O-N 3Å; A32-G36 PolarHBondContact O-N 3.28Å
33W90.3Very high84.8Confident184 Ų18473.7 Ų73.770%0.69744%0.438SS*.Hα-helixtrans-62.6-46.4174.6-175.5-95.2000112G29 V30 K35 G36 L37G29-W33 VanDerWaalsContact O-CB 3.24Å; G29-W33 WeakPolarHBondContact O-CB 3.37Å; G29-W33 PolarHBondContact O-N 3.29Å; V30-W33 PolarHBondContact O-N 3.46Å; W33-K35 VanDerWaalsContact C-N 3.26Å; W33-K35 PolarHBondContact O-N 2.78Å; W33-G36 PolarHBondContact O-N 3Å; W33-G36 VanDerWaalsContact O-N 3.07Å; W33-L37 HydrophobicContact CZ2-CD1 4.4Å; W33-L37 VanDerWaalsContact NE1-CD1 3.32Å; W33-L37 PolarHBondContact O-N 2.9Å; W33-L37 VanDerWaalsContact O-N 3.16Å
34G86.3Confident84.1Confident13 Ų1379.6 Ų79.613%0.13446%0.463CS..Hα-helixtrans-59.9-35.2176.700000113.2V30 A31 G38 L39V30-G34 PolarHBondContact O-N 3.24Å; A31-G34 PolarHBondContact O-N 2.97Å; G34-G38 PolarHBondContact O-N 3.49Å; G34-L39 PolarHBondContact O-N 2.02Å
35K83.7Confident83.3Confident126 Ų12684.6 Ų84.655%0.54849%0.489SS..Hα-helixtrans-65.7-45.1171.6-168.4-179.3176.71790112.3A31 A32 W33 L37 G38 I46A31-K35 PolarHBondContact O-N 2.93Å; A32-K35 WeakPolarHBondContact O-CB 3.24Å; A32-K35 PolarHBondContact O-N 3Å; W33-K35 VanDerWaalsContact C-N 3.26Å; W33-K35 PolarHBondContact O-N 2.78Å; K35-L37 VanDerWaalsContact C-N 3.25Å; K35-L37 PolarHBondContact O-N 2.03Å; K35-G38 PolarHBondContact O-N 3.06Å; K35-G38 VanDerWaalsContact O-N 3.11Å; K35-I46 HydrophobicContact CB-CD1 3.9Å; K35-I46 HydrophobicContact CB-CG2 4.03Å; K35-I46 HydrophobicContact CD-CG2 4.26Å; K35-I46 HydrophobicContact CG-CD1 4.02Å; K35-I46 HydrophobicContact CG-CG2 4.41Å
36G81.3Confident82.7Confident71 Ų7180.9 Ų80.973%0.73247%0.469SS*.Hα-helixtrans-62.1-31.7-178.100000113.5A32 W33A32-G36 PolarHBondContact O-N 3.28Å; W33-G36 PolarHBondContact O-N 3Å; W33-G36 VanDerWaalsContact O-N 3.07Å
37L82Confident82.4Confident98 Ų9877.2 Ų77.251%0.51346%0.459SS..THydrogen-bonded Turntrans-87.8-6.2176.2-65.1-178000114.3W33 K35 L39W33-L37 HydrophobicContact CZ2-CD1 4.4Å; W33-L37 VanDerWaalsContact NE1-CD1 3.32Å; W33-L37 PolarHBondContact O-N 2.9Å; W33-L37 VanDerWaalsContact O-N 3.16Å; K35-L37 VanDerWaalsContact C-N 3.25Å; K35-L37 PolarHBondContact O-N 2.03Å; L37-L39 HydrophobicContact CB-CD1 3.93Å; L37-L39 HydrophobicContact CB-CG 3.72Å; L37-L39 HydrophobicContact CD1-CD1 3.74Å; L37-L39 HydrophobicContact CD1-CG 4.4Å; L37-L39 PolarHBondContact O-N 3.02Å
38G72.5Confident82.2Confident57 Ų5776 Ų7659%0.58846%0.462SS*.THydrogen-bonded Turntrans64.918.8-175.200000114.4G34 K35 V40G34-G38 PolarHBondContact O-N 3.49Å; K35-G38 PolarHBondContact O-N 3.06Å; K35-G38 VanDerWaalsContact O-N 3.11Å; G38-V40 VanDerWaalsContact C-N 3.28Å; G38-V40 PolarHBondContact O-N 2.92Å
39L64.6Low82.1Confident132 Ų13276.9 Ų76.969%0.69147%0.469SS*.  trans-71.1-22.4-176.6-68.1173.1000113.2G34 L37G34-L39 PolarHBondContact O-N 2.02Å; L37-L39 HydrophobicContact CB-CD1 3.93Å; L37-L39 HydrophobicContact CB-CG 3.72Å; L37-L39 HydrophobicContact CD1-CD1 3.74Å; L37-L39 HydrophobicContact CD1-CG 4.4Å; L37-L39 PolarHBondContact O-N 3.02Å
40V63.4Low82Confident61 Ų6177.4 Ų77.437%0.3746%0.462SS..  trans-118.3111179.5177.30000107.8G38 S42 I45 I46G38-V40 VanDerWaalsContact C-N 3.28Å; G38-V40 PolarHBondContact O-N 2.92Å; V40-S42 VanDerWaalsContact C-N 3.32Å; V40-S42 PolarHBondContact O-N 2.77Å; V40-I45 HydrophobicContact CG1-CB 4.44Å; V40-I46 HydrophobicContact CB-CD1 3.96Å; V40-I46 HydrophobicContact CB-CG1 4.02Å; V40-I46 HydrophobicContact CG1-CD1 4.1Å; V40-I46 HydrophobicContact CG1-CG1 3.75Å
41S59Low82.2Confident83 Ų8375.1 Ų75.158%0.5845%0.454SS*.  trans-69.1-28.4-174.5-1700000113.1I43 E122S41-I43 PolarHBondContact O-N 2.75Å; S41-E122 WeakPolarHBondContact CB-OE2 3.27Å; S41-E122 PolarHBondContact OG-OE2 3.4Å
42S70.4Confident82.4Confident43 Ų4378.3 Ų78.330%0.30147%0.473SS..  trans-90106.9-175.5-171.50000113.2V40 H44 I45 I46V40-S42 VanDerWaalsContact C-N 3.32Å; V40-S42 PolarHBondContact O-N 2.77Å; S42-H44 PolarHBondContact O-N 2.82Å; S42-H44 VanDerWaalsContact O-N 3.12Å; S42-I45 PolarHBondContact O-N 2.71Å; S42-I45 VanDerWaalsContact O-N 3.11Å; S42-I46 PolarHBondContact O-N 2.81Å
43I75.9Confident82.6Confident127 Ų12776 Ų7665%0.65145%0.453SS*.Hα-helixtrans-50.3-34.2170.5-66.8166000111.8S41 G47S41-I43 PolarHBondContact O-N 2.75Å; I43-G47 PolarHBondContact O-N 3.44Å
44H82.7Confident83Confident158 Ų15870.4 Ų70.473%0.73144%0.439SS*.Hα-helixtrans-66-42.5-178.9-61.892.3000112.5S42 G47 G48S42-H44 PolarHBondContact O-N 2.82Å; S42-H44 VanDerWaalsContact O-N 3.12Å; H44-G47 PolarHBondContact O-N 3.18Å; H44-G48 PolarHBondContact O-N 3.34Å
45I81.3Confident83.5Confident106 Ų10675 Ų7554%0.54446%0.455SS..Hα-helixtrans-65.9-46.8179.9-60.8176.4000109.4V40 S42 G47 G48 V49V40-I45 HydrophobicContact CG1-CB 4.44Å; S42-I45 PolarHBondContact O-N 2.71Å; S42-I45 VanDerWaalsContact O-N 3.11Å; I45-G47 PolarHBondContact O-N 3.46Å; I45-G48 PolarHBondContact O-N 3.46Å; I45-V49 WeakPolarHBondContact O-CG2 3.48Å; I45-V49 PolarHBondContact O-N 2.92Å; I45-V49 VanDerWaalsContact O-N 3.1Å
46I85.8Confident84.1Confident14 Ų1470.7 Ų70.77%0.07244%0.438CS..Hα-helixtrans-61.3-47.3179-58.8174.1000110.6K35 V40 S42 G48 V49 I50K35-I46 HydrophobicContact CB-CD1 3.9Å; K35-I46 HydrophobicContact CB-CG2 4.03Å; K35-I46 HydrophobicContact CD-CG2 4.26Å; K35-I46 HydrophobicContact CG-CD1 4.02Å; K35-I46 HydrophobicContact CG-CG2 4.41Å; V40-I46 HydrophobicContact CB-CD1 3.96Å; V40-I46 HydrophobicContact CB-CG1 4.02Å; V40-I46 HydrophobicContact CG1-CD1 4.1Å; V40-I46 HydrophobicContact CG1-CG1 3.75Å; S42-I46 PolarHBondContact O-N 2.81Å; I46-G48 VanDerWaalsContact C-N 3.29Å; I46-G48 PolarHBondContact O-N 3.42Å; I46-V49 PolarHBondContact O-N 3.26Å; I46-I50 HydrophobicContact CG2-CD1 3.81Å; I46-I50 HydrophobicContact CG2-CG1 4.48Å; I46-I50 WeakPolarHBondContact O-CG1 3.5Å; I46-I50 PolarHBondContact O-N 2.9Å
47G89.3Confident84.9Confident39 Ų3969.3 Ų69.340%0.40241%0.414SS..Hα-helixtrans-59-40.817800000112.3I43 H44 I45 I50 A51I43-G47 PolarHBondContact O-N 3.44Å; H44-G47 PolarHBondContact O-N 3.18Å; I45-G47 PolarHBondContact O-N 3.46Å; G47-I50 PolarHBondContact O-N 3.34Å; G47-A51 WeakPolarHBondContact O-CB 3.06Å; G47-A51 PolarHBondContact O-N 3.14Å
48G92.3Very high85.7Confident37 Ų3770.2 Ų70.238%0.38142%0.419SS..Hα-helixtrans-60.4-49.7175.600000113H44 I45 I46 I50 A51 V52H44-G48 PolarHBondContact O-N 3.34Å; I45-G48 PolarHBondContact O-N 3.46Å; I46-G48 VanDerWaalsContact C-N 3.29Å; I46-G48 PolarHBondContact O-N 3.42Å; G48-I50 PolarHBondContact O-N 3.02Å; G48-A51 PolarHBondContact O-N 3.37Å; G48-V52 WeakPolarHBondContact O-CG2 3.48Å; G48-V52 PolarHBondContact O-N 2.95Å
49V92.9Very high86.9Confident58 Ų5868.2 Ų68.235%0.35239%0.394SS..Hα-helixtrans-63.6-41.3-180178.60000111.5A31 I45 I46 V52 G53A31-V49 HydrophobicContact CB-CB 4.14Å; A31-V49 HydrophobicContact CB-CG1 3.84Å; I45-V49 WeakPolarHBondContact O-CG2 3.48Å; I45-V49 PolarHBondContact O-N 2.92Å; I45-V49 VanDerWaalsContact O-N 3.1Å; I46-V49 PolarHBondContact O-N 3.26Å; V49-V52 PolarHBondContact O-N 3.46Å; V49-G53 PolarHBondContact O-N 3.42Å
50I93.8Very high88.5Confident50 Ų5062 Ų6226%0.25636%0.362SS..Hα-helixtrans-63.4-44.8176.6-66.6172.5000110.7A31 I46 G47 G48 V52 G53 V54A31-I50 HydrophobicContact CB-CD1 4.33Å; A31-I50 HydrophobicContact CB-CG1 3.64Å; I46-I50 HydrophobicContact CG2-CD1 3.81Å; I46-I50 HydrophobicContact CG2-CG1 4.48Å; I46-I50 WeakPolarHBondContact O-CG1 3.5Å; I46-I50 PolarHBondContact O-N 2.9Å; G47-I50 PolarHBondContact O-N 3.34Å; G48-I50 PolarHBondContact O-N 3.02Å; I50-V52 PolarHBondContact O-N 3Å; I50-G53 PolarHBondContact O-N 3.39Å; I50-V54 HydrophobicContact CG2-CG2 4.35Å; I50-V54 WeakPolarHBondContact O-CG2 3.47Å; I50-V54 PolarHBondContact O-N 3.11Å
51A95.8Very high90.1Very high59 Ų5962 Ų6249%0.48836%0.362SS..Hα-helixtrans-61.2-43.1179.200000112.1G47 G48 V54 F55G47-A51 WeakPolarHBondContact O-CB 3.06Å; G47-A51 PolarHBondContact O-N 3.14Å; G48-A51 PolarHBondContact O-N 3.37Å; A51-V54 PolarHBondContact O-N 2.98Å; A51-F55 WeakPolarHBondContact O-CB 3.46Å; A51-F55 PolarHBondContact O-N 2.89Å
52V95.3Very high92Very high79 Ų7959.5 Ų59.548%0.47935%0.347SS..Hα-helixtrans-59.1-48.1173.3171.60000110.6G48 V49 I50 V54 F55 L56G48-V52 WeakPolarHBondContact O-CG2 3.48Å; G48-V52 PolarHBondContact O-N 2.95Å; V49-V52 PolarHBondContact O-N 3.46Å; I50-V52 PolarHBondContact O-N 3Å; V52-V54 PolarHBondContact O-N 3.49Å; V52-F55 PolarHBondContact O-N 3.37Å; V52-L56 HydrophobicContact CG1-CD1 3.85Å; V52-L56 HydrophobicContact CG1-CG 4.29Å; V52-L56 WeakPolarHBondContact O-CB 3.32Å; V52-L56 VanDerWaalsContact O-CG 3.32Å; V52-L56 WeakPolarHBondContact O-CG 3.28Å; V52-L56 PolarHBondContact O-N 3.41Å
53G97.1Very high93.3Very high0 Ų057.5 Ų57.50%033%0.332CS..Hα-helixtrans-59.2-42.9178.100000113.2S24 V49 I50 L57S24-G53 WeakPolarHBondContact CB-O 3.48Å; V49-G53 PolarHBondContact O-N 3.42Å; I50-G53 PolarHBondContact O-N 3.39Å; G53-L57 WeakPolarHBondContact O-CB 3.36Å; G53-L57 PolarHBondContact O-N 2.99Å
54V98.1Very high94.4Very high67 Ų6753.5 Ų53.541%0.40631%0.312SS..Hα-helixtrans-64.9-44177.1172.40000111.3I28 I50 A51 V52 L57 L58I28-V54 HydrophobicContact CD1-CG2 3.95Å; I28-V54 HydrophobicContact CG1-CG2 4.45Å; I50-V54 HydrophobicContact CG2-CG2 4.35Å; I50-V54 WeakPolarHBondContact O-CG2 3.47Å; I50-V54 PolarHBondContact O-N 3.11Å; A51-V54 PolarHBondContact O-N 2.98Å; V52-V54 PolarHBondContact O-N 3.49Å; V54-L57 WeakPolarHBondContact O-CB 3.03Å; V54-L57 PolarHBondContact O-N 3.12Å; V54-L58 WeakPolarHBondContact O-CG 3.24Å; V54-L58 PolarHBondContact O-N 3.26Å
55F96.8Very high95.1Very high109 Ų10948.9 Ų48.948%0.47830%0.295SS..Hα-helixtrans-63.7-44.1179.2-175.5-109.9000112.2A51 V52 L57 L58 I59 I81 V85A51-F55 WeakPolarHBondContact O-CB 3.46Å; A51-F55 PolarHBondContact O-N 2.89Å; V52-F55 PolarHBondContact O-N 3.37Å; F55-L57 VanDerWaalsContact C-N 3.31Å; F55-L57 PolarHBondContact O-N 2.66Å; F55-L58 PolarHBondContact O-N 3.49Å; F55-I59 HydrophobicContact CD1-CD1 3.64Å; F55-I59 HydrophobicContact CE1-CD1 3.29Å; F55-I59 HydrophobicContact CE1-CG1 4.39Å; F55-I59 HydrophobicContact CE2-CD1 4.39Å; F55-I59 HydrophobicContact CG-CD1 4.35Å; F55-I59 HydrophobicContact CZ-CD1 3.71Å; F55-I59 HydrophobicContact CZ-CG1 4.44Å; F55-I59 WeakPolarHBondContact O-CG1 3.02Å; F55-I59 PolarHBondContact O-N 2.68Å; F55-I59 VanDerWaalsContact O-N 3.09Å; F55-I81 HydrophobicContact CZ-CG2 4.18Å; F55-V85 HydrophobicContact CE1-CG2 4.29Å
56L96.2Very high95.8Very high36 Ų3643.9 Ų43.919%0.18827%0.269CS..Hα-helixtrans-62.7-38.3175.1-68.7176.3000111.9S24 L27 V52 L58 I59 A60S24-L56 WeakPolarHBondContact OG-CB 3.32Å; L27-L56 HydrophobicContact CD1-CD1 4.12Å; V52-L56 HydrophobicContact CG1-CD1 3.85Å; V52-L56 HydrophobicContact CG1-CG 4.29Å; V52-L56 WeakPolarHBondContact O-CB 3.32Å; V52-L56 VanDerWaalsContact O-CG 3.32Å; V52-L56 WeakPolarHBondContact O-CG 3.28Å; V52-L56 PolarHBondContact O-N 3.41Å; L56-L58 PolarHBondContact O-N 3.17Å; L56-I59 PolarHBondContact O-N 2.78Å; L56-A60 VanDerWaalsContact O-CB 3.29Å; L56-A60 WeakPolarHBondContact O-CB 3.22Å; L56-A60 PolarHBondContact O-N 3.44Å
57L98.3Very high96.3Very high42 Ų4243.2 Ų43.222%0.2227%0.266CS..Hα-helixtrans-61.4-44.1175.7-175.463.1000111.5M21 S24 L25 G53 V54 F55 A60 V61M21-L57 HydrophobicContact CB-CD1 4.24Å; M21-L57 HydrophobicContact CE-CD1 4.26Å; M21-L57 HydrophobicContact CG-CD1 4.13Å; S24-L57 PolarHBondContact OG-N 3.19Å; L25-L57 HydrophobicContact CD2-CD1 4.4Å; L25-L57 HydrophobicContact CD2-CD2 4.19Å; L25-L57 HydrophobicContact CG-CD1 4.4Å; G53-L57 WeakPolarHBondContact O-CB 3.36Å; G53-L57 PolarHBondContact O-N 2.99Å; V54-L57 WeakPolarHBondContact O-CB 3.03Å; V54-L57 PolarHBondContact O-N 3.12Å; F55-L57 VanDerWaalsContact C-N 3.31Å; F55-L57 PolarHBondContact O-N 2.66Å; L57-A60 PolarHBondContact O-N 3.44Å; L57-V61 HydrophobicContact CD1-CG2 4.45Å; L57-V61 VanDerWaalsContact O-CG2 3.3Å; L57-V61 WeakPolarHBondContact O-CG2 3.31Å; L57-V61 PolarHBondContact O-N 2.9Å
58L98.1Very high96.6Very high117 Ų11744.7 Ų44.761%0.61327%0.267SS*.Hα-helixtrans-62.6-44177.7-68.5176.4000111.9V54 F55 L56 V61 A62V54-L58 WeakPolarHBondContact O-CG 3.24Å; V54-L58 PolarHBondContact O-N 3.26Å; F55-L58 PolarHBondContact O-N 3.49Å; L56-L58 PolarHBondContact O-N 3.17Å; L58-V61 PolarHBondContact O-N 3.08Å; L58-A62 WeakPolarHBondContact O-CB 3.27Å; L58-A62 PolarHBondContact O-N 3.5Å
59I97.4Very high96.7Very high15 Ų1548 Ų488%0.07728%0.276CS..Hα-helixtrans-63-44.7176.6-66.2164.9000110.6F55 L56 V61 A62 G63 Y78 I81 V85F55-I59 HydrophobicContact CD1-CD1 3.64Å; F55-I59 HydrophobicContact CE1-CD1 3.29Å; F55-I59 HydrophobicContact CE1-CG1 4.39Å; F55-I59 HydrophobicContact CE2-CD1 4.39Å; F55-I59 HydrophobicContact CG-CD1 4.35Å; F55-I59 HydrophobicContact CZ-CD1 3.71Å; F55-I59 HydrophobicContact CZ-CG1 4.44Å; F55-I59 WeakPolarHBondContact O-CG1 3.02Å; F55-I59 PolarHBondContact O-N 2.68Å; F55-I59 VanDerWaalsContact O-N 3.09Å; L56-I59 PolarHBondContact O-N 2.78Å; I59-V61 PolarHBondContact O-N 3.21Å; I59-A62 PolarHBondContact O-N 3.31Å; I59-G63 PolarHBondContact O-N 3.04Å; I59-Y78 HydrophobicContact CG2-CD2 3.91Å; I59-Y78 HydrophobicContact CG2-CE2 3.99Å; I59-I81 HydrophobicContact CD1-CG2 3.41Å; I59-I81 VanDerWaalsContact CD1-CG2 3.41Å; I59-I81 HydrophobicContact CG1-CG2 3.81Å; I59-V85 HydrophobicContact CD1-CG2 4.29Å
60A98.1Very high96.7Very high1 Ų146.5 Ų46.51%0.00827%0.265CS..Hα-helixtrans-65.1-39.6-178.700000111.9N17 M21 L56 L57 G63 L64N17-A60 WeakPolarHBondContact OD1-CA 3.27Å; N17-A60 PolarHBondContact OD1-O 3.43Å; M21-A60 HydrophobicContact CB-CB 4.47Å; M21-A60 HydrophobicContact CG-CB 3.58Å; L56-A60 VanDerWaalsContact O-CB 3.29Å; L56-A60 WeakPolarHBondContact O-CB 3.22Å; L56-A60 PolarHBondContact O-N 3.44Å; L57-A60 PolarHBondContact O-N 3.44Å; A60-G63 PolarHBondContact O-N 3.43Å; A60-L64 WeakPolarHBondContact O-CB 3.19Å; A60-L64 PolarHBondContact O-N 3.3Å
61V98.2Very high96.7Very high62 Ų6248.7 Ų48.738%0.37627%0.274SS..Hα-helixtrans-65.4-45.9173.2171.10000111M21 L57 L58 I59 G63 L64 V65M21-V61 HydrophobicContact CE-CG2 3.95Å; M21-V61 HydrophobicContact CG-CG2 4.49Å; M21-V61 HydrophobicContact SD-CG2 4.09Å; L57-V61 HydrophobicContact CD1-CG2 4.45Å; L57-V61 VanDerWaalsContact O-CG2 3.3Å; L57-V61 WeakPolarHBondContact O-CG2 3.31Å; L57-V61 PolarHBondContact O-N 2.9Å; L58-V61 PolarHBondContact O-N 3.08Å; I59-V61 PolarHBondContact O-N 3.21Å; V61-G63 VanDerWaalsContact C-N 3.32Å; V61-G63 PolarHBondContact O-N 2.92Å; V61-L64 PolarHBondContact O-N 3Å; V61-V65 HydrophobicContact CG1-CG2 4.28Å; V61-V65 WeakPolarHBondContact O-CB 3.44Å; V61-V65 VanDerWaalsContact O-CG2 3.3Å; V61-V65 WeakPolarHBondContact O-CG2 3.48Å; V61-V65 PolarHBondContact O-N 3.11Å
62A97.9Very high96.6Very high31 Ų3150.9 Ų50.926%0.25627%0.274SS..Hα-helixtrans-60.4-41.8176.400000111.9L58 I59 G66 L74L58-A62 WeakPolarHBondContact O-CB 3.27Å; L58-A62 PolarHBondContact O-N 3.5Å; I59-A62 PolarHBondContact O-N 3.31Å; A62-G66 PolarHBondContact O-N 3.05Å; A62-L74 HydrophobicContact CB-CD1 4.07Å; A62-L74 VanDerWaalsContact O-CD2 3.25Å; A62-L74 WeakPolarHBondContact O-CD2 3.36Å
63G97.9Very high96.6Very high0 Ų051.1 Ų51.10%028%0.276CS..Hα-helixtrans-63.2-44.6174.700000112.5I59 A60 V61 G66 A67I59-G63 PolarHBondContact O-N 3.04Å; A60-G63 PolarHBondContact O-N 3.43Å; V61-G63 VanDerWaalsContact C-N 3.32Å; V61-G63 PolarHBondContact O-N 2.92Å; G63-G66 PolarHBondContact O-N 3.25Å; G63-A67 WeakPolarHBondContact O-CB 3.41Å; G63-A67 PolarHBondContact O-N 3.25Å
64L98.1Very high96.5Very high43 Ų4353.4 Ų53.423%0.22529%0.287CS..Hα-helixtrans-63.9-48.6177-176.761.9000111.8C14 N17 V18 M21 A60 V61 G66 A67 V68C14-L64 HydrophobicContact CB-CD1 3.91Å; N17-L64 HydrophobicContact CB-CB 4.03Å; V18-L64 HydrophobicContact CG2-CD1 4.35Å; V18-L64 HydrophobicContact CG2-CD2 4.46Å; M21-L64 HydrophobicContact SD-CD2 3.91Å; A60-L64 WeakPolarHBondContact O-CB 3.19Å; A60-L64 PolarHBondContact O-N 3.3Å; V61-L64 PolarHBondContact O-N 3Å; L64-G66 VanDerWaalsContact C-N 3.3Å; L64-G66 PolarHBondContact O-N 3.02Å; L64-A67 PolarHBondContact O-N 3.46Å; L64-V68 HydrophobicContact CD1-CG2 4.16Å; L64-V68 HydrophobicContact CG-CG2 4.43Å; L64-V68 WeakPolarHBondContact O-CB 3.48Å; L64-V68 WeakPolarHBondContact O-CG2 3.3Å; L64-V68 PolarHBondContact O-N 3.36Å
65V97.7Very high96.3Very high62 Ų6250.2 Ų50.238%0.37627%0.268SS..Hα-helixtrans-60.8-42.2176.6172.40000110.5V61 A67 V68 N69 L74V61-V65 HydrophobicContact CG1-CG2 4.28Å; V61-V65 WeakPolarHBondContact O-CB 3.44Å; V61-V65 VanDerWaalsContact O-CG2 3.3Å; V61-V65 WeakPolarHBondContact O-CG2 3.48Å; V61-V65 PolarHBondContact O-N 3.11Å; V65-A67 VanDerWaalsContact C-N 3.34Å; V65-A67 PolarHBondContact O-N 3.38Å; V65-V68 PolarHBondContact O-N 3.34Å; V65-N69 WeakPolarHBondContact O-CB 3.12Å; V65-N69 PolarHBondContact O-N 3.16Å; V65-N69 PolarHBondContact O-ND2 3.07Å; V65-L74 HydrophobicContact CB-CD2 4Å; V65-L74 HydrophobicContact CG1-CD2 3.78Å
66G96.7Very high96.3Very high0 Ų049.2 Ų49.20%026%0.264CS..Hα-helixtrans-60-42.6175.200000112.4A62 G63 L64 H70 H71A62-G66 PolarHBondContact O-N 3.05Å; G63-G66 PolarHBondContact O-N 3.25Å; L64-G66 VanDerWaalsContact C-N 3.3Å; L64-G66 PolarHBondContact O-N 3.02Å; G66-H70 CarbonylContact O-C 3.56Å; G66-H70 VanDerWaalsContact O-CA 3.27Å; G66-H70 WeakPolarHBondContact O-CA 3.11Å; G66-H70 PolarHBondContact O-N 2.96Å; G66-H71 PolarHBondContact O-N 3.49Å
67A96Very high96.3Very high0 Ų053.1 Ų53.10%028%0.28CS..Hα-helixtrans-70-45.6178.600000112.7K10 L13 G63 L64 V65K10-A67 WeakPolarHBondContact CE-O 3.4Å; L13-A67 HydrophobicContact CB-CB 4.3Å; L13-A67 HydrophobicContact CD2-CB 3.84Å; L13-A67 HydrophobicContact CG-CB 3.99Å; G63-A67 WeakPolarHBondContact O-CB 3.41Å; G63-A67 PolarHBondContact O-N 3.25Å; L64-A67 PolarHBondContact O-N 3.46Å; V65-A67 VanDerWaalsContact C-N 3.34Å; V65-A67 PolarHBondContact O-N 3.38Å
68V95.6Very high96.3Very high70 Ų7051.4 Ų51.442%0.42427%0.27SS..Hα-helixtrans-64.6-45.5-178.41710000111.2K10 L64 V65K10-V68 WeakPolarHBondContact CE-O 3.43Å; K10-V68 PolarHBondContact NZ-O 3.06Å; L64-V68 HydrophobicContact CD1-CG2 4.16Å; L64-V68 HydrophobicContact CG-CG2 4.43Å; L64-V68 WeakPolarHBondContact O-CB 3.48Å; L64-V68 WeakPolarHBondContact O-CG2 3.3Å; L64-V68 PolarHBondContact O-N 3.36Å; V65-V68 PolarHBondContact O-N 3.34Å
69N93.7Very high96.2Very high107 Ų10746.7 Ų46.757%0.57225%0.245SC*.THydrogen-bonded Turntrans-92.40.1-175.8-64.2-38.8000113.9V65 H71V65-N69 WeakPolarHBondContact O-CB 3.12Å; V65-N69 PolarHBondContact O-N 3.16Å; V65-N69 PolarHBondContact O-ND2 3.07Å; N69-H71 HydrophobicContact CB-CB 4.35Å; N69-H71 PolarHBondContact O-N 3.39Å
70H93Very high96.2Very high27 Ų2750.1 Ų50.113%0.12526%0.263CS..THydrogen-bonded Turntrans49.739.8-172-166.1-93.6000112.1F6 G66 Q72 F196F6-H70 AromaticContact CE2-CD2 3.35Å; F6-H70 WeakPolarHBondContact CE2-CD2 3.5Å; F6-H70 AromaticContact CE2-NE2 3.57Å; F6-H70 AromaticContact CZ-CD2 3.62Å; G66-H70 CarbonylContact O-C 3.56Å; G66-H70 VanDerWaalsContact O-CA 3.27Å; G66-H70 WeakPolarHBondContact O-CA 3.11Å; G66-H70 PolarHBondContact O-N 2.96Å; H70-Q72 PolarHBondContact O-N 3.05Å; H70-F196 AromaticContact CD2-CE1 3.62Å; H70-F196 AromaticContact CD2-CE2 3.93Å; H70-F196 AromaticContact CD2-CZ 3.47Å; H70-F196 VanDerWaalsContact CD2-CZ 3.47Å; H70-F196 WeakPolarHBondContact CD2-CZ 3.29Å
71H93.9Very high96.2Very high96 Ų9653 Ų5344%0.44428%0.278SS..  trans-80.692.8-173.2-170.4-60.1000110.4G66 N69 V73 L74 L75G66-H71 PolarHBondContact O-N 3.49Å; N69-H71 HydrophobicContact CB-CB 4.35Å; N69-H71 PolarHBondContact O-N 3.39Å; H71-V73 VanDerWaalsContact C-N 3.33Å; H71-V73 PolarHBondContact O-N 3.31Å; H71-V73 VanDerWaalsContact O-N 3.16Å; H71-L74 HydrophobicContact CB-CB 4.11Å; H71-L74 WeakPolarHBondContact ND1-CB 3.25Å; H71-L74 PolarHBondContact ND1-N 3.49Å; H71-L74 PolarHBondContact O-N 3.45Å; H71-L75 PolarHBondContact O-N 3.27Å
72Q93.5Very high96.1Very high105 Ų10550.3 Ų50.349%0.49126%0.261SS..Hα-helixtrans-52.2-42.7-169.1-66.9-173.5-20.100115H70 F76H70-Q72 PolarHBondContact O-N 3.05Å; Q72-F76 PolarHBondContact O-N 3.08Å
73V95.1Very high96.1Very high84 Ų8449.7 Ų49.751%0.50926%0.258SS..Hα-helixtrans-69.3-38.5-178.7179.90000111.7H71 F76 F77H71-V73 VanDerWaalsContact C-N 3.33Å; H71-V73 PolarHBondContact O-N 3.31Å; H71-V73 VanDerWaalsContact O-N 3.16Å; V73-F76 WeakPolarHBondContact O-CB 3.42Å; V73-F76 PolarHBondContact O-N 3.1Å; V73-F77 HydrophobicContact CG1-CD2 3.94Å; V73-F77 HydrophobicContact CG1-CE2 3.59Å; V73-F77 VanDerWaalsContact O-CD2 3.22Å; V73-F77 WeakPolarHBondContact O-CD2 3.35Å; V73-F77 PolarHBondContact O-N 3.03Å; V73-F77 VanDerWaalsContact O-N 3.09Å
74L95.6Very high96Very high47 Ų4754.1 Ų54.125%0.24628%0.281CS..Hα-helixtrans-68.8-41.5178.9-173.465.4000110.1A62 V65 H71 F76 F77 Y78A62-L74 HydrophobicContact CB-CD1 4.07Å; A62-L74 VanDerWaalsContact O-CD2 3.25Å; A62-L74 WeakPolarHBondContact O-CD2 3.36Å; V65-L74 HydrophobicContact CB-CD2 4Å; V65-L74 HydrophobicContact CG1-CD2 3.78Å; H71-L74 HydrophobicContact CB-CB 4.11Å; H71-L74 WeakPolarHBondContact ND1-CB 3.25Å; H71-L74 PolarHBondContact ND1-N 3.49Å; H71-L74 PolarHBondContact O-N 3.45Å; L74-F76 VanDerWaalsContact C-N 3.28Å; L74-F76 PolarHBondContact O-N 2.79Å; L74-F77 PolarHBondContact O-N 3.46Å; L74-Y78 VanDerWaalsContact O-CB 3.27Å; L74-Y78 WeakPolarHBondContact O-CB 3.35Å; L74-Y78 PolarHBondContact O-N 3.28Å
75L95.4Very high96Very high0 Ų053 Ų530%028%0.276CS..Hα-helixtrans-61.7-34.9171.7-75.8170.5000112.3L13 H71 M79 F196L13-L75 HydrophobicContact CD2-CD2 3.74Å; H71-L75 PolarHBondContact O-N 3.27Å; L75-M79 VanDerWaalsContact O-CG 3.27Å; L75-M79 WeakPolarHBondContact O-CG 3.36Å; L75-M79 PolarHBondContact O-N 2.74Å; L75-F196 HydrophobicContact CD1-CD1 3.79Å; L75-F196 HydrophobicContact CD1-CE1 3.96Å
76F95.9Very high96Very high88 Ų8852.3 Ų52.339%0.38627%0.268SS..Hα-helixtrans-63.4-51.6174.5-179.8-118.3000112.1Q72 V73 L74 Y78 M79 I80Q72-F76 PolarHBondContact O-N 3.08Å; V73-F76 WeakPolarHBondContact O-CB 3.42Å; V73-F76 PolarHBondContact O-N 3.1Å; L74-F76 VanDerWaalsContact C-N 3.28Å; L74-F76 PolarHBondContact O-N 2.79Å; F76-Y78 VanDerWaalsContact C-N 3.34Å; F76-Y78 PolarHBondContact O-N 3.43Å; F76-M79 HydrophobicContact CD2-CE 4.1Å; F76-M79 PolarHBondContact O-N 3.04Å; F76-I80 HydrophobicContact CD2-CG1 4.46Å; F76-I80 HydrophobicContact CE2-CD1 4.2Å; F76-I80 HydrophobicContact CE2-CG1 4.15Å; F76-I80 HydrophobicContact CZ-CD1 4.41Å; F76-I80 HydrophobicContact CZ-CG1 4.22Å; F76-I80 WeakPolarHBondContact O-CG1 3.32Å; F76-I80 PolarHBondContact O-N 3.32Å; F76-I80 VanDerWaalsContact O-N 3.13Å
77F96.6Very high96Very high119 Ų11956.8 Ų56.852%0.52229%0.291SS..Hα-helixtrans-61.9-42.2176.3-72.9-64.8000112.1V73 L74 M79 I80 I81V73-F77 HydrophobicContact CG1-CD2 3.94Å; V73-F77 HydrophobicContact CG1-CE2 3.59Å; V73-F77 VanDerWaalsContact O-CD2 3.22Å; V73-F77 WeakPolarHBondContact O-CD2 3.35Å; V73-F77 PolarHBondContact O-N 3.03Å; V73-F77 VanDerWaalsContact O-N 3.09Å; L74-F77 PolarHBondContact O-N 3.46Å; F77-M79 VanDerWaalsContact C-N 3.34Å; F77-M79 PolarHBondContact O-N 3.49Å; F77-I80 PolarHBondContact O-N 2.92Å; F77-I81 WeakPolarHBondContact O-CB 3.44Å; F77-I81 VanDerWaalsContact O-CG1 3.27Å; F77-I81 WeakPolarHBondContact O-CG1 3.22Å; F77-I81 PolarHBondContact O-N 3.29Å
78Y97.3Very high96Very high5 Ų563.4 Ų63.42%0.0232%0.32CS..Hα-helixtrans-54.4-47.5174.1168.5-95.7000112L13 N17 I59 L74 F76 I80 I81 L82 A193L13-Y78 HydrophobicContact CD1-CE1 4.06Å; N17-Y78 PolarHBondContact ND2-OH 3.41Å; N17-Y78 VanDerWaalsContact OD1-CE2 3.28Å; N17-Y78 WeakPolarHBondContact OD1-CE2 3.49Å; N17-Y78 PolarHBondContact OD1-OH 3.39Å; I59-Y78 HydrophobicContact CG2-CD2 3.91Å; I59-Y78 HydrophobicContact CG2-CE2 3.99Å; L74-Y78 VanDerWaalsContact O-CB 3.27Å; L74-Y78 WeakPolarHBondContact O-CB 3.35Å; L74-Y78 PolarHBondContact O-N 3.28Å; F76-Y78 VanDerWaalsContact C-N 3.34Å; F76-Y78 PolarHBondContact O-N 3.43Å; Y78-I80 PolarHBondContact O-N 3.44Å; Y78-I81 PolarHBondContact O-N 3.47Å; Y78-L82 HydrophobicContact CE1-CD2 3.91Å; Y78-L82 HydrophobicContact CE2-CD2 4.39Å; Y78-L82 WeakPolarHBondContact O-CB 3.32Å; Y78-L82 PolarHBondContact O-N 3.32Å; Y78-L82 WeakPolarHBondContact OH-CD2 3.39Å; Y78-A193 HydrophobicContact CD1-CB 4.16Å; Y78-A193 HydrophobicContact CE1-CB 4.03Å
79M96.6Very high96Very high18 Ų1862.1 Ų62.19%0.08931%0.309CS..Hα-helixtrans-62.6-42.5178.1-74.7-176.8-51.900113L75 F76 F77 G83 A193 M194L75-M79 VanDerWaalsContact O-CG 3.27Å; L75-M79 WeakPolarHBondContact O-CG 3.36Å; L75-M79 PolarHBondContact O-N 2.74Å; F76-M79 HydrophobicContact CD2-CE 4.1Å; F76-M79 PolarHBondContact O-N 3.04Å; F77-M79 VanDerWaalsContact C-N 3.34Å; F77-M79 PolarHBondContact O-N 3.49Å; M79-G83 PolarHBondContact O-N 2.88Å; M79-A193 HydrophobicContact CG-CB 3.45Å; M79-A193 VanDerWaalsContact CG-CB 3.45Å; M79-A193 VanDerWaalsContact SD-C 3.54Å; M79-A193 HydrophobicContact SD-CB 3.82Å; M79-M194 HydrophobicContact CE-CG 4.42Å; M79-M194 WeakPolarHBondContact SD-CA 3.31Å; M79-M194 HydrophobicContact SD-CB 4Å; M79-M194 HydrophobicContact SD-CG 3.34Å; M79-M194 WeakPolarHBondContact SD-CG 3.14Å; M79-M194 PolarHBondContact SD-N 3.32Å
80I97.5Very high96.2Very high88 Ų8861.1 Ų61.145%0.45130%0.3SS..Hα-helixtrans-65-48.2179.1-63.7-60000110.1F76 F77 Y78 G83 L84F76-I80 HydrophobicContact CD2-CG1 4.46Å; F76-I80 HydrophobicContact CE2-CD1 4.2Å; F76-I80 HydrophobicContact CE2-CG1 4.15Å; F76-I80 HydrophobicContact CZ-CD1 4.41Å; F76-I80 HydrophobicContact CZ-CG1 4.22Å; F76-I80 WeakPolarHBondContact O-CG1 3.32Å; F76-I80 PolarHBondContact O-N 3.32Å; F76-I80 VanDerWaalsContact O-N 3.13Å; F77-I80 PolarHBondContact O-N 2.92Å; Y78-I80 PolarHBondContact O-N 3.44Å; I80-G83 PolarHBondContact O-N 3.44Å; I80-L84 HydrophobicContact CG2-CD1 4.43Å; I80-L84 WeakPolarHBondContact O-CG 3.22Å; I80-L84 PolarHBondContact O-N 3.43Å
81I97.5Very high96.5Very high62 Ų6263.6 Ų63.632%0.31832%0.317SS..Hα-helixtrans-64-47.6-179.4-64166.3000110.3F55 I59 F77 Y78 G83 L84 V85F55-I81 HydrophobicContact CZ-CG2 4.18Å; I59-I81 HydrophobicContact CD1-CG2 3.41Å; I59-I81 VanDerWaalsContact CD1-CG2 3.41Å; I59-I81 HydrophobicContact CG1-CG2 3.81Å; F77-I81 WeakPolarHBondContact O-CB 3.44Å; F77-I81 VanDerWaalsContact O-CG1 3.27Å; F77-I81 WeakPolarHBondContact O-CG1 3.22Å; F77-I81 PolarHBondContact O-N 3.29Å; Y78-I81 PolarHBondContact O-N 3.47Å; I81-G83 VanDerWaalsContact C-N 3.28Å; I81-G83 PolarHBondContact O-N 3.42Å; I81-L84 PolarHBondContact O-N 3.35Å; I81-L84 VanDerWaalsContact O-N 3.14Å; I81-V85 HydrophobicContact CG2-CG2 4.42Å; I81-V85 WeakPolarHBondContact O-CG2 3.2Å; I81-V85 PolarHBondContact O-N 3.36Å
82L96.6Very high96.6Very high5 Ų563.9 Ų63.93%0.02632%0.32CS..Hα-helixtrans-62.1-37.3177.8-166.468.1000111.6Y20 Y78 V85 F86 E186 V190Y20-L82 HydrophobicContact CE2-CD1 4.31Å; Y78-L82 HydrophobicContact CE1-CD2 3.91Å; Y78-L82 HydrophobicContact CE2-CD2 4.39Å; Y78-L82 WeakPolarHBondContact O-CB 3.32Å; Y78-L82 PolarHBondContact O-N 3.32Å; Y78-L82 WeakPolarHBondContact OH-CD2 3.39Å; L82-V85 PolarHBondContact O-N 3.46Å; L82-F86 WeakPolarHBondContact O-CB 3.49Å; L82-F86 PolarHBondContact O-N 2.91Å; L82-E186 HydrophobicContact CD1-CB 4.17Å; L82-E186 HydrophobicContact CD1-CG 3.8Å; L82-E186 HydrophobicContact CG-CB 4.14Å; L82-E186 HydrophobicContact CG-CG 4.34Å; L82-V190 HydrophobicContact CB-CG2 3.95Å; L82-V190 HydrophobicContact CD2-CG2 3.85Å; L82-V190 HydrophobicContact CG-CG2 3.95Å
83G97.1Very high96.8Very high18 Ų1859.1 Ų59.119%0.18630%0.299CS..Hα-helixtrans-63.7-38.9173.800000113.3M79 I80 I81 I87M79-G83 PolarHBondContact O-N 2.88Å; I80-G83 PolarHBondContact O-N 3.44Å; I81-G83 VanDerWaalsContact C-N 3.28Å; I81-G83 PolarHBondContact O-N 3.42Å; G83-I87 WeakPolarHBondContact O-CG1 3.46Å; G83-I87 PolarHBondContact O-N 3.37Å; G83-I87 VanDerWaalsContact O-N 3.12Å
84L97.5Very high96.9Very high92 Ų9257.3 Ų57.348%0.48229%0.289SS..Hα-helixtrans-67.8-45.5174.4-68.3175.3000111.5I80 I81 F86 I87 F88I80-L84 HydrophobicContact CG2-CD1 4.43Å; I80-L84 WeakPolarHBondContact O-CG 3.22Å; I80-L84 PolarHBondContact O-N 3.43Å; I81-L84 PolarHBondContact O-N 3.35Å; I81-L84 VanDerWaalsContact O-N 3.14Å; L84-F86 VanDerWaalsContact C-N 3.27Å; L84-F86 PolarHBondContact O-N 3.41Å; L84-I87 PolarHBondContact O-N 2.89Å; L84-F88 WeakPolarHBondContact O-CD2 3.24Å; L84-F88 PolarHBondContact O-N 3.28Å
85V96.8Very high97Very high21 Ų2158.3 Ų58.313%0.12730%0.3CS..Hα-helixtrans-57.5-44.2176175.80000110.1F55 I59 I81 L82 I87 F88 Q89 E186F55-V85 HydrophobicContact CE1-CG2 4.29Å; I59-V85 HydrophobicContact CD1-CG2 4.29Å; I81-V85 HydrophobicContact CG2-CG2 4.42Å; I81-V85 WeakPolarHBondContact O-CG2 3.2Å; I81-V85 PolarHBondContact O-N 3.36Å; L82-V85 PolarHBondContact O-N 3.46Å; V85-I87 PolarHBondContact O-N 2.88Å; V85-F88 PolarHBondContact O-N 3.08Å; V85-Q89 HydrophobicContact CG1-CG 4.05Å; V85-Q89 WeakPolarHBondContact O-CB 3.38Å; V85-Q89 WeakPolarHBondContact O-CG 3.35Å; V85-Q89 PolarHBondContact O-N 3Å; V85-E186 VanDerWaalsContact CG1-OE1 3.28Å; V85-E186 WeakPolarHBondContact CG1-OE1 3.26Å
86F97.2Very high97.1Very high47 Ų4759.6 Ų59.621%0.20631%0.309CS..Hα-helixtrans-56.3-48.8174.9161.9-106000112.5L82 L84 F88 Q89 F90 S183 E186 I187L82-F86 WeakPolarHBondContact O-CB 3.49Å; L82-F86 PolarHBondContact O-N 2.91Å; L84-F86 VanDerWaalsContact C-N 3.27Å; L84-F86 PolarHBondContact O-N 3.41Å; F86-F88 PolarHBondContact O-N 3.19Å; F86-Q89 PolarHBondContact O-N 3.44Å; F86-F90 HydrophobicContact CE2-CB 4.22Å; F86-F90 HydrophobicContact CE2-CD2 4.45Å; F86-F90 HydrophobicContact CE2-CG 4.45Å; F86-F90 WeakPolarHBondContact O-CB 3.39Å; F86-F90 PolarHBondContact O-N 2.8Å; F86-S183 VanDerWaalsContact CD2-O 3.24Å; F86-S183 WeakPolarHBondContact CD2-O 3.36Å; F86-E186 WeakPolarHBondContact CA-OE2 3.35Å; F86-E186 HydrophobicContact CB-CB 4.12Å; F86-E186 PolarHBondContact N-OE2 3.25Å; F86-I187 HydrophobicContact CD2-CB 4.25Å; F86-I187 HydrophobicContact CE1-CD1 4.34Å; F86-I187 HydrophobicContact CE2-CB 4.08Å; F86-I187 HydrophobicContact CE2-CG2 4.49Å; F86-I187 HydrophobicContact CZ-CB 4.37Å
87I97.3Very high97.1Very high94 Ų9459.1 Ų59.148%0.48231%0.31SS..Hα-helixtrans-61.2-47.1-179.4-68.2165000110.4G83 L84 V85 V91G83-I87 WeakPolarHBondContact O-CG1 3.46Å; G83-I87 PolarHBondContact O-N 3.37Å; G83-I87 VanDerWaalsContact O-N 3.12Å; L84-I87 PolarHBondContact O-N 2.89Å; V85-I87 PolarHBondContact O-N 2.88Å; I87-V91 WeakPolarHBondContact O-CB 3.26Å; I87-V91 VanDerWaalsContact O-CG2 3.24Å; I87-V91 WeakPolarHBondContact O-CG2 3.48Å; I87-V91 PolarHBondContact O-N 3.26Å; I87-V91 VanDerWaalsContact O-N 3.09Å
88F96.4Very high97.1Very high138 Ų13857.3 Ų57.361%0.60532%0.317SS*.Hα-helixtrans-64.8-47.5179.5-74.4-63.6000112.1L84 V85 F86 V91 I92L84-F88 WeakPolarHBondContact O-CD2 3.24Å; L84-F88 PolarHBondContact O-N 3.28Å; V85-F88 PolarHBondContact O-N 3.08Å; F86-F88 PolarHBondContact O-N 3.19Å; F88-V91 PolarHBondContact O-N 3.46Å; F88-I92 WeakPolarHBondContact O-CB 3.44Å; F88-I92 WeakPolarHBondContact O-CD1 3.23Å; F88-I92 VanDerWaalsContact O-CG1 3.22Å; F88-I92 WeakPolarHBondContact O-CG1 3.5Å; F88-I92 PolarHBondContact O-N 3.45Å
89Q96.1Very high96.9Very high43 Ų4359.6 Ų59.620%0.20133%0.329CS..Hα-helixtrans-62.4-44.3178.9-74.7-176.79.300111.6V85 F86 I92 S93 S183 E186V85-Q89 HydrophobicContact CG1-CG 4.05Å; V85-Q89 WeakPolarHBondContact O-CB 3.38Å; V85-Q89 WeakPolarHBondContact O-CG 3.35Å; V85-Q89 PolarHBondContact O-N 3Å; F86-Q89 PolarHBondContact O-N 3.44Å; Q89-I92 PolarHBondContact O-N 3.28Å; Q89-S93 WeakPolarHBondContact O-CB 3.25Å; Q89-S93 PolarHBondContact O-N 3.45Å; Q89-S93 PolarHBondContact O-OG 2.99Å; Q89-S183 WeakPolarHBondContact CB-OG 3.41Å; Q89-E186 VanDerWaalsContact CD-OE1 3.26Å; Q89-E186 PolarHBondContact NE2-OE1 2.95Å; Q89-E186 VanDerWaalsContact OE1-CD 3.27Å; Q89-E186 PolarHBondContact OE1-OE1 2.98Å; Q89-E186 VanDerWaalsContact OE1-OE1 3.11Å; Q89-E186 PolarHBondContact OE1-OE2 3.18Å
90F98Very high96.8Very high86 Ų8662.8 Ų62.838%0.37735%0.346SS..Hα-helixtrans-62-47.4-179.8-177.1-103.2000111.1F86 S93 C94 S183F86-F90 HydrophobicContact CE2-CB 4.22Å; F86-F90 HydrophobicContact CE2-CD2 4.45Å; F86-F90 HydrophobicContact CE2-CG 4.45Å; F86-F90 WeakPolarHBondContact O-CB 3.39Å; F86-F90 PolarHBondContact O-N 2.8Å; F90-S93 PolarHBondContact O-N 2.84Å; F90-C94 WeakPolarHBondContact O-CB 3.13Å; F90-C94 PolarHBondContact O-N 3.47Å; F90-C94 PolarHBondContact O-SG 3.47Å; F90-S183 PolarHBondContact N-OG 3.47Å
91V97.8Very high96.6Very high80 Ų8063.7 Ų63.749%0.48534%0.344SS..Hα-helixtrans-63.1-47178.4171.10000111.8I87 F88 S93 S95I87-V91 WeakPolarHBondContact O-CB 3.26Å; I87-V91 VanDerWaalsContact O-CG2 3.24Å; I87-V91 WeakPolarHBondContact O-CG2 3.48Å; I87-V91 PolarHBondContact O-N 3.26Å; I87-V91 VanDerWaalsContact O-N 3.09Å; F88-V91 PolarHBondContact O-N 3.46Å; V91-S93 VanDerWaalsContact C-N 3.35Å; V91-S95 WeakPolarHBondContact O-CB 3.37Å; V91-S95 PolarHBondContact O-N 2.96Å; V91-S95 PolarHBondContact O-OG 2.83Å
92I96.8Very high96.3Very high101 Ų10163.9 Ų63.952%0.51835%0.351SS..Hα-helixtrans-64.5-42.8179.1-68.1168.1000110F88 Q89 S95 C96F88-I92 WeakPolarHBondContact O-CB 3.44Å; F88-I92 WeakPolarHBondContact O-CD1 3.23Å; F88-I92 VanDerWaalsContact O-CG1 3.22Å; F88-I92 WeakPolarHBondContact O-CG1 3.5Å; F88-I92 PolarHBondContact O-N 3.45Å; Q89-I92 PolarHBondContact O-N 3.28Å; I92-S95 WeakPolarHBondContact O-CB 3.32Å; I92-S95 PolarHBondContact O-N 3.06Å; I92-S95 VanDerWaalsContact O-N 3.17Å; I92-C96 PolarHBondContact O-N 3.5Å; I92-C96 PolarHBondContact O-SG 3.37Å; I92-C96 VanDerWaalsContact O-SG 3.33Å
93S98.1Very high96.2Very high5 Ų569.3 Ų69.34%0.03538%0.375CS..Hα-helixtrans-63.4-47.1179.7-61.60000112.1Q89 F90 V91 S95 C96 L97 G176 G179 L180Q89-S93 WeakPolarHBondContact O-CB 3.25Å; Q89-S93 PolarHBondContact O-N 3.45Å; Q89-S93 PolarHBondContact O-OG 2.99Å; F90-S93 PolarHBondContact O-N 2.84Å; V91-S93 VanDerWaalsContact C-N 3.35Å; S93-S95 VanDerWaalsContact C-N 3.25Å; S93-S95 PolarHBondContact O-N 2.8Å; S93-C96 PolarHBondContact O-N 3.33Å; S93-L97 WeakPolarHBondContact O-CG 3.33Å; S93-L97 PolarHBondContact O-N 2.63Å; S93-G176 WeakPolarHBondContact CB-O 3.3Å; S93-G179 VanDerWaalsContact OG-CA 3.23Å; S93-G179 WeakPolarHBondContact OG-CA 3.18Å; S93-L180 PolarHBondContact OG-N 2.87Å
94C97.9Very high96Very high47 Ų4768.7 Ų68.732%0.31837%0.367SS..Hα-helixtrans-59.8-39.5174-72.60000111.3F90 L97 A98F90-C94 WeakPolarHBondContact O-CB 3.13Å; F90-C94 PolarHBondContact O-N 3.47Å; F90-C94 PolarHBondContact O-SG 3.47Å; C94-L97 PolarHBondContact O-N 3.45Å; C94-A98 WeakPolarHBondContact O-CB 3.4Å; C94-A98 PolarHBondContact O-N 2.85Å
95S96.5Very high95.8Very high68 Ų6866.3 Ų66.348%0.47636%0.356SS..Hα-helixtrans-65.4-43.4177.3-59.10000112V91 I92 S93 L97 A98 I99V91-S95 WeakPolarHBondContact O-CB 3.37Å; V91-S95 PolarHBondContact O-N 2.96Å; V91-S95 PolarHBondContact O-OG 2.83Å; I92-S95 WeakPolarHBondContact O-CB 3.32Å; I92-S95 PolarHBondContact O-N 3.06Å; I92-S95 VanDerWaalsContact O-N 3.17Å; S93-S95 VanDerWaalsContact C-N 3.25Å; S93-S95 PolarHBondContact O-N 2.8Å; S95-L97 VanDerWaalsContact C-N 3.33Å; S95-L97 PolarHBondContact O-N 3.39Å; S95-A98 PolarHBondContact O-N 3.17Å; S95-I99 WeakPolarHBondContact O-CB 3.1Å; S95-I99 PolarHBondContact O-N 3.15Å
96C96.7Very high95.6Very high26 Ų2669.5 Ų69.518%0.17637%0.373CS..Hα-helixtrans-63.3-36.1174.7-70.20000112.7I92 S93 I99 L172I92-C96 PolarHBondContact O-N 3.5Å; I92-C96 PolarHBondContact O-SG 3.37Å; I92-C96 VanDerWaalsContact O-SG 3.33Å; S93-C96 PolarHBondContact O-N 3.33Å; C96-I99 WeakPolarHBondContact O-CG2 3.49Å; C96-L172 HydrophobicContact CB-CD2 3.96Å
97L96.3Very high95.4Very high79 Ų7971.3 Ų71.341%0.41439%0.387SS..Hα-helixtrans-76.1-30.6176.3-68.3174.8000113.1S93 C94 S95 L180S93-L97 WeakPolarHBondContact O-CG 3.33Å; S93-L97 PolarHBondContact O-N 2.63Å; C94-L97 PolarHBondContact O-N 3.45Å; S95-L97 VanDerWaalsContact C-N 3.33Å; S95-L97 PolarHBondContact O-N 3.39Å; L97-L180 HydrophobicContact CD1-CD1 3.81Å
98A96.3Very high95.1Very high81 Ų8167.9 Ų67.967%0.66937%0.37SS*.Hα-helixtrans-89.4-17.7-175.300000114.2C94 S95 N100C94-A98 WeakPolarHBondContact O-CB 3.4Å; C94-A98 PolarHBondContact O-N 2.85Å; S95-A98 PolarHBondContact O-N 3.17Å; A98-N100 PolarHBondContact O-N 2.73Å
99I94.3Very high94.9Very high53 Ų5363.9 Ų63.927%0.27236%0.355SS..  trans-66.4125.8-176.5-165.4176.5000111.6S95 C96 K103 Q104 L172S95-I99 WeakPolarHBondContact O-CB 3.1Å; S95-I99 PolarHBondContact O-N 3.15Å; C96-I99 WeakPolarHBondContact O-CG2 3.49Å; I99-K103 HydrophobicContact CD1-CB 4.32Å; I99-K103 HydrophobicContact CG1-CB 3.78Å; I99-Q104 HydrophobicContact CD1-CG 4.08Å; I99-Q104 HydrophobicContact CG1-CG 4.12Å; I99-Q104 HydrophobicContact CG2-CG 4.35Å; I99-Q104 PolarHBondContact O-NE2 3.36Å; I99-L172 HydrophobicContact CG2-CB 4.46Å; I99-L172 HydrophobicContact CG2-CD1 3.58Å; I99-L172 HydrophobicContact CG2-CD2 4.37Å; I99-L172 HydrophobicContact CG2-CG 4.36Å
100N94Very high94.6Very high84 Ų8464.8 Ų64.845%0.44937%0.369SS..  trans-94.6172.4-178.967.918.8000112.4A98 S102 K103 Q104A98-N100 PolarHBondContact O-N 2.73Å; N100-S102 PolarHBondContact O-N 3.06Å; N100-S102 PolarHBondContact OD1-N 3.46Å; N100-S102 PolarHBondContact OD1-OG 3.09Å; N100-K103 PolarHBondContact O-N 2.98Å; N100-K103 WeakPolarHBondContact OD1-CB 3.47Å; N100-K103 VanDerWaalsContact OD1-CG 3.32Å; N100-K103 WeakPolarHBondContact OD1-CG 3.29Å; N100-K103 PolarHBondContact OD1-N 3.38Å; N100-Q104 WeakPolarHBondContact O-CG 3.38Å; N100-Q104 PolarHBondContact O-N 2.91Å
101R92.6Very high94.3Very high107 Ų10763.3 Ų63.340%0.40437%0.37SS..Hα-helixtrans-59.5-39.8-176.9-72.9-71.4179.6140.1-4.7113.9Q104 T105 L165 D169R101-Q104 PolarHBondContact O-N 3.3Å; R101-T105 PolarHBondContact O-N 3.28Å; R101-T105 PolarHBondContact O-OG1 3.31Å; R101-L165 VanDerWaalsContact NH1-C 3.29Å; R101-L165 PolarHBondContact NH1-O 2.88Å; R101-D169 IonicContact NE-OD1 3.39Å; R101-D169 IonicContact NH2-OD2 3.93Å; R101-D169 PolarHBondContact NH2-OD2 3.19Å
102S93Very high93.9Very high67 Ų6759.7 Ų59.747%0.46935%0.347SS..Hα-helixtrans-65.5-42.1179.856.40000111.9N100 Q104 T105 D106N100-S102 PolarHBondContact O-N 3.06Å; N100-S102 PolarHBondContact OD1-N 3.46Å; N100-S102 PolarHBondContact OD1-OG 3.09Å; S102-Q104 PolarHBondContact O-N 2.91Å; S102-T105 WeakPolarHBondContact O-CB 3.24Å; S102-T105 PolarHBondContact O-N 2.86Å; S102-D106 PolarHBondContact O-N 2.88Å
103K93Very high93.4Very high119 Ų11959.3 Ų59.352%0.51734%0.339SS..Hα-helixtrans-66.3-36.4174.7-67.2-61.9177.3-166.40112.9I99 N100 T105 D106 V107I99-K103 HydrophobicContact CD1-CB 4.32Å; I99-K103 HydrophobicContact CG1-CB 3.78Å; N100-K103 PolarHBondContact O-N 2.98Å; N100-K103 WeakPolarHBondContact OD1-CB 3.47Å; N100-K103 VanDerWaalsContact OD1-CG 3.32Å; N100-K103 WeakPolarHBondContact OD1-CG 3.29Å; N100-K103 PolarHBondContact OD1-N 3.38Å; K103-T105 VanDerWaalsContact C-N 3.35Å; K103-D106 IonicContact NZ-OD2 3.62Å; K103-D106 PolarHBondContact O-N 3.48Å; K103-V107 WeakPolarHBondContact O-CG2 3.46Å; K103-V107 PolarHBondContact O-N 3.33Å; K103-V107 VanDerWaalsContact O-N 3.14Å
104Q93.2Very high93Very high5 Ų565.3 Ų65.32%0.02338%0.375CS..Hα-helixtrans-62.1-43.2171.7-68173.826.900111.2I99 N100 R101 S102 D106 V107 I108 L165 D169 L172I99-Q104 HydrophobicContact CD1-CG 4.08Å; I99-Q104 HydrophobicContact CG1-CG 4.12Å; I99-Q104 HydrophobicContact CG2-CG 4.35Å; I99-Q104 PolarHBondContact O-NE2 3.36Å; N100-Q104 WeakPolarHBondContact O-CG 3.38Å; N100-Q104 PolarHBondContact O-N 2.91Å; R101-Q104 PolarHBondContact O-N 3.3Å; S102-Q104 PolarHBondContact O-N 2.91Å; Q104-D106 PolarHBondContact O-N 3.06Å; Q104-V107 PolarHBondContact O-N 2.92Å; Q104-I108 WeakPolarHBondContact O-CB 3.39Å; Q104-I108 VanDerWaalsContact O-CG1 3.29Å; Q104-I108 WeakPolarHBondContact O-CG1 3.17Å; Q104-I108 PolarHBondContact O-N 3.31Å; Q104-L165 HydrophobicContact CB-CD2 3.56Å; Q104-L165 PolarHBondContact OE1-O 3.23Å; Q104-D169 PolarHBondContact NE2-OD1 2.97Å; Q104-L172 HydrophobicContact CG-CD1 3.99Å
105T93.6Very high92.5Very high42 Ų4266.6 Ų66.626%0.25838%0.378SS..Hα-helixtrans-58.9-45.8176.2-580000111.7R101 S102 K103 V107 I108 N109 F133R101-T105 PolarHBondContact O-N 3.28Å; R101-T105 PolarHBondContact O-OG1 3.31Å; S102-T105 WeakPolarHBondContact O-CB 3.24Å; S102-T105 PolarHBondContact O-N 2.86Å; K103-T105 VanDerWaalsContact C-N 3.35Å; T105-V107 PolarHBondContact O-N 3.48Å; T105-I108 PolarHBondContact O-N 3.09Å; T105-N109 VanDerWaalsContact O-CB 3.26Å; T105-N109 WeakPolarHBondContact O-CB 3.37Å; T105-N109 PolarHBondContact O-N 3.35Å; T105-F133 HydrophobicContact CG2-CD2 4.11Å; T105-F133 HydrophobicContact CG2-CE1 4.34Å; T105-F133 HydrophobicContact CG2-CE2 3.72Å; T105-F133 HydrophobicContact CG2-CZ 3.86Å
106D92.8Very high92.1Very high88 Ų8866.3 Ų66.347%0.47138%0.376SS..Hα-helixtrans-59-46.7178.7-66.5-21.5000111.5S102 K103 Q104 N109 A110S102-D106 PolarHBondContact O-N 2.88Å; K103-D106 IonicContact NZ-OD2 3.62Å; K103-D106 PolarHBondContact O-N 3.48Å; Q104-D106 PolarHBondContact O-N 3.06Å; D106-N109 PolarHBondContact O-N 3.27Å; D106-A110 WeakPolarHBondContact O-CB 3.31Å; D106-A110 PolarHBondContact O-N 3.48Å
107V92Very high91.7Very high85 Ų8571.2 Ų71.252%0.51540%0.401SS..Hα-helixtrans-65.5-45.5-179.6171.30000111.4K103 Q104 T105 A110 S111K103-V107 WeakPolarHBondContact O-CG2 3.46Å; K103-V107 PolarHBondContact O-N 3.33Å; K103-V107 VanDerWaalsContact O-N 3.14Å; Q104-V107 PolarHBondContact O-N 2.92Å; T105-V107 PolarHBondContact O-N 3.48Å; V107-A110 PolarHBondContact O-N 3.45Å; V107-S111 VanDerWaalsContact O-CB 3.3Å; V107-S111 WeakPolarHBondContact O-CB 3.47Å; V107-S111 PolarHBondContact O-N 3.27Å; V107-S111 PolarHBondContact O-OG 3.26Å
108I92.4Very high91.2Very high22 Ų2275.3 Ų75.311%0.11342%0.415CS..Hα-helixtrans-63.1-44.7178.6-70.7167.6000110.1Q104 T105 S111 W112 L132 F133 F164 L165Q104-I108 WeakPolarHBondContact O-CB 3.39Å; Q104-I108 VanDerWaalsContact O-CG1 3.29Å; Q104-I108 WeakPolarHBondContact O-CG1 3.17Å; Q104-I108 PolarHBondContact O-N 3.31Å; T105-I108 PolarHBondContact O-N 3.09Å; I108-S111 PolarHBondContact O-N 2.98Å; I108-W112 WeakPolarHBondContact O-CB 3.4Å; I108-W112 PolarHBondContact O-N 2.89Å; I108-L132 HydrophobicContact CG2-CD1 3.48Å; I108-L132 VanDerWaalsContact CG2-CD1 3.48Å; I108-L132 HydrophobicContact CG2-CD2 4.29Å; I108-L132 HydrophobicContact CG2-CG 4.32Å; I108-F133 HydrophobicContact CB-CE2 4.31Å; I108-F133 HydrophobicContact CG2-CE2 3.89Å; I108-F133 HydrophobicContact CG2-CZ 4.17Å; I108-F164 HydrophobicContact CD1-CB 3.92Å; I108-F164 HydrophobicContact CG2-CD2 4.11Å; I108-L165 HydrophobicContact CD1-CD2 3.75Å; I108-L165 HydrophobicContact CD1-CG 4.11Å
109N91.4Very high90.8Very high54 Ų5473.7 Ų73.729%0.28940%0.397SS..Hα-helixtrans-61.3-48.6178.2-169.319.5000111.7T105 D106 S111 W112 W113 L132 Y139T105-N109 VanDerWaalsContact O-CB 3.26Å; T105-N109 WeakPolarHBondContact O-CB 3.37Å; T105-N109 PolarHBondContact O-N 3.35Å; D106-N109 PolarHBondContact O-N 3.27Å; N109-S111 VanDerWaalsContact C-N 3.29Å; N109-S111 PolarHBondContact O-N 3.06Å; N109-W112 PolarHBondContact O-N 2.87Å; N109-W113 PolarHBondContact OD1-NE1 3.27Å; N109-L132 HydrophobicContact CB-CD2 4.17Å; N109-Y139 PolarHBondContact OD1-OH 3.41Å; N109-Y139 VanDerWaalsContact OD1-OH 3.05Å
110A90.9Very high90.5Very high62 Ų6271.9 Ų71.951%0.51239%0.386SS..Hα-helixtrans-59.8-40.817600000112.2D106 V107 V114D106-A110 WeakPolarHBondContact O-CB 3.31Å; D106-A110 PolarHBondContact O-N 3.48Å; V107-A110 PolarHBondContact O-N 3.45Å; A110-V114 WeakPolarHBondContact O-CG2 3.42Å
111S90.1Very high90.3Very high55 Ų5569.6 Ų69.639%0.38537%0.374SS..Hα-helixtrans-68.7-39.5-179.2-57.10000112.3V107 I108 N109 W113 V114 M115V107-S111 VanDerWaalsContact O-CB 3.3Å; V107-S111 WeakPolarHBondContact O-CB 3.47Å; V107-S111 PolarHBondContact O-N 3.27Å; V107-S111 PolarHBondContact O-OG 3.26Å; I108-S111 PolarHBondContact O-N 2.98Å; N109-S111 VanDerWaalsContact C-N 3.29Å; N109-S111 PolarHBondContact O-N 3.06Å; S111-W113 VanDerWaalsContact C-N 3.29Å; S111-W113 PolarHBondContact O-N 3.02Å; S111-V114 PolarHBondContact O-N 3.43Å; S111-M115 VanDerWaalsContact O-CG 3.31Å; S111-M115 WeakPolarHBondContact O-CG 3.36Å; S111-M115 PolarHBondContact O-N 3.45Å
112W90.3Very high90Very high4 Ų468.3 Ų68.32%0.01537%0.373CS..Hα-helixtrans-59.8-37.9-177.9-168.8-105.8000113I108 N109 R120 L123 E124 L132 D142 F164I108-W112 WeakPolarHBondContact O-CB 3.4Å; I108-W112 PolarHBondContact O-N 2.89Å; N109-W112 PolarHBondContact O-N 2.87Å; W112-R120 HydrophobicContact CD2-CG 4.14Å; W112-R120 HydrophobicContact CE3-CG 4.26Å; W112-R120 HydrophobicContact CH2-CB 4.07Å; W112-R120 HydrophobicContact CH2-CG 4.11Å; W112-R120 HydrophobicContact CZ2-CB 4.05Å; W112-R120 HydrophobicContact CZ2-CG 3.97Å; W112-R120 HydrophobicContact CZ3-CG 4.22Å; W112-L123 HydrophobicContact CZ3-CB 4.44Å; W112-L123 HydrophobicContact CZ3-CD1 4.09Å; W112-E124 HydrophobicContact CH2-CG 4.08Å; W112-E124 HydrophobicContact CZ2-CG 4.43Å; W112-L132 HydrophobicContact CB-CD1 4.16Å; W112-L132 HydrophobicContact CB-CD2 3.6Å; W112-L132 HydrophobicContact CB-CG 4.33Å; W112-L132 HydrophobicContact CD2-CB 3.97Å; W112-L132 HydrophobicContact CD2-CD1 3.69Å; W112-L132 HydrophobicContact CD2-CD2 4.41Å; W112-L132 HydrophobicContact CD2-CG 4.22Å; W112-L132 HydrophobicContact CE3-CD1 3.77Å; W112-L132 HydrophobicContact CG-CB 3.9Å; W112-L132 HydrophobicContact CG-CD1 3.9Å; W112-L132 HydrophobicContact CG-CD2 3.72Å; W112-L132 HydrophobicContact CG-CG 4.03Å; W112-L132 HydrophobicContact CZ2-CB 4.48Å; W112-L132 HydrophobicContact CZ3-CD1 4.43Å; W112-D142 WeakPolarHBondContact CZ2-OD2 3.31Å; W112-D142 PolarHBondContact NE1-OD2 2.9Å; W112-D142 VanDerWaalsContact NE1-OD2 3.08Å; W112-F164 AromaticContact CE3-CE2 3.91Å; W112-F164 HydrophobicContact CE3-CE2 3.91Å; W112-F164 HydrophobicContact CH2-CE2 4.2Å; W112-F164 HydrophobicContact CH2-CZ 4.47Å; W112-F164 AromaticContact CZ3-CE2 3.44Å; W112-F164 HydrophobicContact CZ3-CE2 3.44Å; W112-F164 VanDerWaalsContact CZ3-CE2 3.44Å; W112-F164 AromaticContact CZ3-CZ 3.87Å; W112-F164 HydrophobicContact CZ3-CZ 3.87Å
113W86.2Confident89.8Confident92 Ų9267.2 Ų67.235%0.34836%0.361SS..Hα-helixtrans-80.7-19.4-179.9-62.8111.9000114N109 S111 L138 Y139N109-W113 PolarHBondContact OD1-NE1 3.27Å; S111-W113 VanDerWaalsContact C-N 3.29Å; S111-W113 PolarHBondContact O-N 3.02Å; W113-L138 HydrophobicContact CD2-CD2 4.47Å; W113-L138 HydrophobicContact CE3-CD2 4.04Å; W113-L138 HydrophobicContact CH2-CB 4.35Å; W113-L138 HydrophobicContact CH2-CD2 3.32Å; W113-L138 HydrophobicContact CH2-CG 3.56Å; W113-L138 HydrophobicContact CZ2-CD2 3.8Å; W113-L138 HydrophobicContact CZ2-CG 4.41Å; W113-L138 HydrophobicContact CZ3-CD2 3.44Å; W113-L138 VanDerWaalsContact CZ3-CD2 3.44Å; W113-L138 HydrophobicContact CZ3-CG 3.77Å; W113-Y139 HydrophobicContact CH2-CD2 4.4Å; W113-Y139 HydrophobicContact CH2-CE2 4.42Å; W113-Y139 HydrophobicContact CZ2-CD1 4.36Å; W113-Y139 HydrophobicContact CZ2-CD2 4.01Å; W113-Y139 AromaticContact CZ2-CE1 3.94Å; W113-Y139 HydrophobicContact CZ2-CE1 3.94Å; W113-Y139 AromaticContact CZ2-CE2 3.61Å; W113-Y139 HydrophobicContact CZ2-CE2 3.61Å; W113-Y139 HydrophobicContact CZ2-CG 4.42Å; W113-Y139 AromaticContact CZ2-CZ 3.58Å
114V89.4Confident89.7Confident131 Ų13161.7 Ų61.779%0.79434%0.338SS*.Hα-helixtrans-86.7-24.6174178.20000111.2A110 S111A110-V114 WeakPolarHBondContact O-CG2 3.42Å; S111-V114 PolarHBondContact O-N 3.43Å
115M87.1Confident89.6Confident74 Ų7467.4 Ų67.437%0.36536%0.359SS..SBendtrans-67.6144.6176.6-79177.3142.600112.5S111 T119 R120 L123S111-M115 VanDerWaalsContact O-CG 3.31Å; S111-M115 WeakPolarHBondContact O-CG 3.36Å; S111-M115 PolarHBondContact O-N 3.45Å; M115-T119 HydrophobicContact CE-CG2 3.85Å; M115-T119 HydrophobicContact CG-CG2 4.48Å; M115-T119 HydrophobicContact SD-CG2 4.29Å; M115-R120 HydrophobicContact CB-CG 4.26Å; M115-L123 HydrophobicContact CE-CD1 3.97Å; M115-L123 HydrophobicContact SD-CD1 3.95Å
116S88.7Confident89.4Confident63 Ų6370 Ų7044%0.44138%0.378SS..  trans-68.9152.5175.679.80000111.9K118 T119 R120S116-K118 PolarHBondContact O-N 3.4Å; S116-K118 VanDerWaalsContact O-N 3.16Å; S116-T119 WeakPolarHBondContact O-CB 3.43Å; S116-T119 PolarHBondContact O-N 3.38Å; S116-T119 PolarHBondContact OG-N 2.86Å; S116-T119 PolarHBondContact OG-OG1 3.23Å; S116-R120 PolarHBondContact O-N 3.3Å
117N87.5Confident89.2Confident129 Ų12969 Ų6969%0.6937%0.37SS*.Hα-helixtrans-55.9-33.4176.4-67.5-6.1000112.8R120 D121N117-R120 PolarHBondContact O-N 2.85Å; N117-D121 WeakPolarHBondContact O-CB 3.46Å; N117-D121 PolarHBondContact O-N 3.46Å
118K87.1Confident89.3Confident165 Ų16567.4 Ų67.472%0.71736%0.359SS*.Hα-helixtrans-63.4-45.5175.6-65-173.7179.4-178.10111.6S116 R120 D121 E122S116-K118 PolarHBondContact O-N 3.4Å; S116-K118 VanDerWaalsContact O-N 3.16Å; K118-R120 VanDerWaalsContact C-N 3.33Å; K118-D121 PolarHBondContact O-N 3.25Å; K118-E122 WeakPolarHBondContact O-CB 3.46Å; K118-E122 VanDerWaalsContact O-CG 3.32Å; K118-E122 WeakPolarHBondContact O-CG 3.29Å; K118-E122 PolarHBondContact O-N 2.92Å
119T87.3Confident89.3Confident46 Ų4666.4 Ų66.428%0.28235%0.354SS..Hα-helixtrans-66.4-37.6179.3-49.30000111.5M115 S116 L123M115-T119 HydrophobicContact CE-CG2 3.85Å; M115-T119 HydrophobicContact CG-CG2 4.48Å; M115-T119 HydrophobicContact SD-CG2 4.29Å; S116-T119 WeakPolarHBondContact O-CB 3.43Å; S116-T119 PolarHBondContact O-N 3.38Å; S116-T119 PolarHBondContact OG-N 2.86Å; S116-T119 PolarHBondContact OG-OG1 3.23Å; T119-L123 HydrophobicContact CG2-CD1 4.35Å; T119-L123 WeakPolarHBondContact O-CB 3.19Å; T119-L123 VanDerWaalsContact O-CG 3.28Å; T119-L123 WeakPolarHBondContact O-CG 3.43Å; T119-L123 PolarHBondContact O-N 2.88Å
120R88.5Confident89.2Confident15 Ų1563.8 Ų63.86%0.05734%0.34CS..Hα-helixtrans-63-50.7174.5-70.1165.664.5155.21.1111.2W112 M115 S116 N117 K118 E122 L123 E124 D142W112-R120 HydrophobicContact CD2-CG 4.14Å; W112-R120 HydrophobicContact CE3-CG 4.26Å; W112-R120 HydrophobicContact CH2-CB 4.07Å; W112-R120 HydrophobicContact CH2-CG 4.11Å; W112-R120 HydrophobicContact CZ2-CB 4.05Å; W112-R120 HydrophobicContact CZ2-CG 3.97Å; W112-R120 HydrophobicContact CZ3-CG 4.22Å; M115-R120 HydrophobicContact CB-CG 4.26Å; S116-R120 PolarHBondContact O-N 3.3Å; N117-R120 PolarHBondContact O-N 2.85Å; K118-R120 VanDerWaalsContact C-N 3.33Å; R120-E122 VanDerWaalsContact C-N 3.32Å; R120-E122 PolarHBondContact O-N 3.11Å; R120-L123 PolarHBondContact O-N 3.14Å; R120-L123 VanDerWaalsContact O-N 3.09Å; R120-E124 WeakPolarHBondContact O-CB 3.35Å; R120-E124 WeakPolarHBondContact O-CG 3.28Å; R120-E124 PolarHBondContact O-N 2.92Å; R120-D142 IonicContact CZ-OD1 3.73Å; R120-D142 IonicContact CZ-OD2 3.37Å; R120-D142 IonicContact NE-OD1 3.94Å; R120-D142 PolarHBondContact NE-OD1 3.35Å; R120-D142 IonicContact NE-OD2 3.89Å; R120-D142 IonicContact NH2-OD1 3.94Å; R120-D142 PolarHBondContact NH2-OD1 2.7Å; R120-D142 IonicContact NH2-OD2 2.78Å; R120-D142 PolarHBondContact NH2-OD2 3.45Å
121D88.5Confident89.1Confident37 Ų3760.9 Ų60.920%0.19832%0.316CS..Hα-helixtrans-59.3-39.7177.3179.155.4000112.3N117 K118 R125 T147N117-D121 WeakPolarHBondContact O-CB 3.46Å; N117-D121 PolarHBondContact O-N 3.46Å; K118-D121 PolarHBondContact O-N 3.25Å; D121-R125 VanDerWaalsContact CG-NH2 3.32Å; D121-R125 WeakPolarHBondContact O-CB 3.47Å; D121-R125 WeakPolarHBondContact O-CG 3.3Å; D121-R125 PolarHBondContact O-N 3.04Å; D121-R125 IonicContact OD1-CZ 3.62Å; D121-R125 IonicContact OD1-NE 2.72Å; D121-R125 IonicContact OD1-NH1 2.74Å; D121-R125 IonicContact OD1-NH2 2.94Å; D121-R125 PolarHBondContact OD1-NH2 3.41Å; D121-R125 VanDerWaalsContact OD1-NH2 3.12Å; D121-R125 IonicContact OD2-CZ 3.31Å; D121-R125 IonicContact OD2-NE 3.12Å; D121-R125 IonicContact OD2-NH1 3.42Å; D121-R125 PolarHBondContact OD2-NH1 3.22Å; D121-R125 IonicContact OD2-NH2 2.73Å; D121-R125 PolarHBondContact OD2-NH2 3Å; D121-T147 PolarHBondContact OD1-OG1 3.22Å
122E87.5Confident89.1Confident80 Ų8058.3 Ų58.337%0.37430%0.298SS..Hα-helixtrans-63-43.7172.7-76.3172.3-167.300112.9S41 K118 R120 S126S41-E122 WeakPolarHBondContact CB-OE2 3.27Å; S41-E122 PolarHBondContact OG-OE2 3.4Å; K118-E122 WeakPolarHBondContact O-CB 3.46Å; K118-E122 VanDerWaalsContact O-CG 3.32Å; K118-E122 WeakPolarHBondContact O-CG 3.29Å; K118-E122 PolarHBondContact O-N 2.92Å; R120-E122 VanDerWaalsContact C-N 3.32Å; R120-E122 PolarHBondContact O-N 3.11Å; E122-S126 VanDerWaalsContact O-CB 3.24Å; E122-S126 WeakPolarHBondContact O-CB 3.22Å; E122-S126 PolarHBondContact O-N 2.89Å
123L89Confident88.9Confident43 Ų4359.7 Ų59.723%0.22530%0.304CS..Hα-helixtrans-67.2-42.3177.9-73.5171.9000111.7W112 M115 T119 R120 S126 F127 F164W112-L123 HydrophobicContact CZ3-CB 4.44Å; W112-L123 HydrophobicContact CZ3-CD1 4.09Å; M115-L123 HydrophobicContact CE-CD1 3.97Å; M115-L123 HydrophobicContact SD-CD1 3.95Å; T119-L123 HydrophobicContact CG2-CD1 4.35Å; T119-L123 WeakPolarHBondContact O-CB 3.19Å; T119-L123 VanDerWaalsContact O-CG 3.28Å; T119-L123 WeakPolarHBondContact O-CG 3.43Å; T119-L123 PolarHBondContact O-N 2.88Å; R120-L123 PolarHBondContact O-N 3.14Å; R120-L123 VanDerWaalsContact O-N 3.09Å; L123-S126 PolarHBondContact O-N 2.88Å; L123-F127 HydrophobicContact CD2-CD2 4.36Å; L123-F127 HydrophobicContact CD2-CE2 4.1Å; L123-F127 WeakPolarHBondContact O-CB 3.48Å; L123-F127 WeakPolarHBondContact O-CD2 3.36Å; L123-F127 PolarHBondContact O-N 3.44Å; L123-F164 HydrophobicContact CB-CZ 4.1Å; L123-F164 HydrophobicContact CD1-CZ 4.4Å
124E91.3Very high88.3Confident4 Ų461.8 Ų61.82%0.01932%0.322CS..Hα-helixtrans-59.3-46.3175.5-75.2-174.4146.500111.5W112 R120 D128 C129 G131W112-E124 HydrophobicContact CH2-CG 4.08Å; W112-E124 HydrophobicContact CZ2-CG 4.43Å; R120-E124 WeakPolarHBondContact O-CB 3.35Å; R120-E124 WeakPolarHBondContact O-CG 3.28Å; R120-E124 PolarHBondContact O-N 2.92Å; E124-D128 VanDerWaalsContact O-CA 3.24Å; E124-D128 WeakPolarHBondContact O-CA 3.35Å; E124-D128 PolarHBondContact O-N 3.3Å; E124-C129 WeakPolarHBondContact CA-O 3.42Å; E124-C129 WeakPolarHBondContact CB-O 3.45Å; E124-C129 WeakPolarHBondContact CG-O 3.05Å; E124-C129 PolarHBondContact O-N 2.97Å; E124-G131 PolarHBondContact OE1-N 3.42Å
125R90.6Very high87.1Confident124 Ų12459.7 Ų59.747%0.46831%0.306SS..Hα-helixtrans-65.2-42.8174.2-72.4-173.5-170.9120.310.9112.6D121 D128 T147D121-R125 VanDerWaalsContact CG-NH2 3.32Å; D121-R125 WeakPolarHBondContact O-CB 3.47Å; D121-R125 WeakPolarHBondContact O-CG 3.3Å; D121-R125 PolarHBondContact O-N 3.04Å; D121-R125 IonicContact OD1-CZ 3.62Å; D121-R125 IonicContact OD1-NE 2.72Å; D121-R125 IonicContact OD1-NH1 2.74Å; D121-R125 IonicContact OD1-NH2 2.94Å; D121-R125 PolarHBondContact OD1-NH2 3.41Å; D121-R125 VanDerWaalsContact OD1-NH2 3.12Å; D121-R125 IonicContact OD2-CZ 3.31Å; D121-R125 IonicContact OD2-NE 3.12Å; D121-R125 IonicContact OD2-NH1 3.42Å; D121-R125 PolarHBondContact OD2-NH1 3.22Å; D121-R125 IonicContact OD2-NH2 2.73Å; D121-R125 PolarHBondContact OD2-NH2 3Å; R125-D128 PolarHBondContact O-N 3.32Å; R125-T147 PolarHBondContact NE-OG1 2.79Å; R125-T147 PolarHBondContact NH2-OG1 3.41Å
126S88Confident86.1Confident96 Ų9660.1 Ų60.167%0.67131%0.313SS*.Hα-helixtrans-69.8-34.9-176-175.70000113E122 L123E122-S126 VanDerWaalsContact O-CB 3.24Å; E122-S126 WeakPolarHBondContact O-CB 3.22Å; E122-S126 PolarHBondContact O-N 2.89Å; L123-S126 PolarHBondContact O-N 2.88Å
127F90.2Very high84.9Confident67 Ų6763.3 Ų63.329%0.29433%0.33SS..Hα-helixtrans-98.2-0.3178.6-75.9-88.8000113L123 C129 K163 F164 H167L123-F127 HydrophobicContact CD2-CD2 4.36Å; L123-F127 HydrophobicContact CD2-CE2 4.1Å; L123-F127 WeakPolarHBondContact O-CB 3.48Å; L123-F127 WeakPolarHBondContact O-CD2 3.36Å; L123-F127 PolarHBondContact O-N 3.44Å; F127-C129 VanDerWaalsContact CB-SG 3.6Å; F127-K163 HydrophobicContact CB-CD 4.45Å; F127-K163 WeakPolarHBondContact O-CD 3.28Å; F127-K163 PolarHBondContact O-NZ 2.95Å; F127-F164 HydrophobicContact CB-CE1 4.41Å; F127-F164 HydrophobicContact CD1-CE1 4.44Å; F127-F164 AromaticContact CD2-CE1 3.7Å; F127-F164 HydrophobicContact CD2-CE1 3.7Å; F127-F164 HydrophobicContact CE2-CE1 4.01Å; F127-F164 AromaticContact CG-CE1 3.92Å; F127-F164 HydrophobicContact CG-CE1 3.92Å; F127-H167 AromaticContact CE1-CD2 3.65Å; F127-H167 AromaticContact CE1-NE2 3.99Å
128D92.7Very high83.8Confident53 Ų5361.4 Ų61.428%0.28332%0.319SS..THydrogen-bonded Turntrans46.561.7-176.2-163.241.5000111.8E124 R125 I149 C150 K163E124-D128 VanDerWaalsContact O-CA 3.24Å; E124-D128 WeakPolarHBondContact O-CA 3.35Å; E124-D128 PolarHBondContact O-N 3.3Å; R125-D128 PolarHBondContact O-N 3.32Å; D128-I149 WeakPolarHBondContact OD1-CA 3.4Å; D128-I149 PolarHBondContact OD1-N 3.2Å; D128-C150 WeakPolarHBondContact OD1-CB 3.31Å; D128-C150 PolarHBondContact OD1-N 2.96Å; D128-K163 PolarHBondContact O-NZ 2.94Å
129C92.4Very high82.9Confident0 Ų054.8 Ų54.80%029%0.29CS..  trans-146162.1-176.5610000109.9E124 F127 C146 C157 Q158 C160 K163E124-C129 WeakPolarHBondContact CA-O 3.42Å; E124-C129 WeakPolarHBondContact CB-O 3.45Å; E124-C129 WeakPolarHBondContact CG-O 3.05Å; E124-C129 PolarHBondContact O-N 2.97Å; F127-C129 VanDerWaalsContact CB-SG 3.6Å; C129-C146 PolarHBondContact O-SG 2.77Å; C129-C157 VanDerWaalsContact CA-SG 3.5Å; C129-Q158 VanDerWaalsContact CA-O 3.27Å; C129-Q158 WeakPolarHBondContact CA-O 3.37Å; C129-Q158 VanDerWaalsContact CB-O 3.27Å; C129-Q158 WeakPolarHBondContact CB-O 3.35Å; C129-C160 HydrophobicContact CB-CB 3.94Å; C129-C160 WeakPolarHBondContact CB-SG 3.48Å; C129-C160 PolarHBondContact O-SG 3.12Å; C129-C160 WeakPolarHBondContact SG-CA 3.19Å; C129-C160 WeakPolarHBondContact SG-CB 3.23Å; C129-C160 CovalentContact SG-SG 2.03Å; C129-C160 PolarHBondContact SG-SG 2.84Å; C129-K163 HydrophobicContact CB-CD 4.05Å
130C90.6Very high82.1Confident0 Ų056.3 Ų56.30%029%0.294CS..  trans-135.6131.7178.7-64.60000111.6Y143 C146 C157 Q158C130-Y143 HydrophobicContact CB-CD2 3.46Å; C130-Y143 VanDerWaalsContact CB-CD2 3.46Å; C130-Y143 HydrophobicContact CB-CE2 3.68Å; C130-Y143 HydrophobicContact CB-CG 4.42Å; C130-C146 VanDerWaalsContact CA-SG 3.53Å; C130-C146 HydrophobicContact CB-CB 3.59Å; C130-C146 WeakPolarHBondContact CB-SG 3.28Å; C130-C146 WeakPolarHBondContact SG-CB 3.46Å; C130-C146 CovalentContact SG-SG 2.04Å; C130-C146 PolarHBondContact SG-SG 3.05Å; C130-C157 HydrophobicContact CB-CB 4.26Å; C130-Q158 PolarHBondContact N-O 2.94Å
131G88.8Confident81.5Confident1 Ų161.2 Ų61.21%0.0132%0.317CS..  trans68.1160.8-179.400000113.7E124 C160E124-G131 PolarHBondContact OE1-N 3.42Å; G131-C160 VanDerWaalsContact O-CB 3.27Å; G131-C160 WeakPolarHBondContact O-CB 3.37Å; G131-C160 PolarHBondContact O-N 3.32Å
132L89Confident80.9Confident0 Ų060.4 Ų60.40%031%0.313CS..SBendtrans-86.5-75.6-173.1-173.379.9000114.5I108 N109 W112 Y139 G161 F164I108-L132 HydrophobicContact CG2-CD1 3.48Å; I108-L132 VanDerWaalsContact CG2-CD1 3.48Å; I108-L132 HydrophobicContact CG2-CD2 4.29Å; I108-L132 HydrophobicContact CG2-CG 4.32Å; N109-L132 HydrophobicContact CB-CD2 4.17Å; W112-L132 HydrophobicContact CB-CD1 4.16Å; W112-L132 HydrophobicContact CB-CD2 3.6Å; W112-L132 HydrophobicContact CB-CG 4.33Å; W112-L132 HydrophobicContact CD2-CB 3.97Å; W112-L132 HydrophobicContact CD2-CD1 3.69Å; W112-L132 HydrophobicContact CD2-CD2 4.41Å; W112-L132 HydrophobicContact CD2-CG 4.22Å; W112-L132 HydrophobicContact CE3-CD1 3.77Å; W112-L132 HydrophobicContact CG-CB 3.9Å; W112-L132 HydrophobicContact CG-CD1 3.9Å; W112-L132 HydrophobicContact CG-CD2 3.72Å; W112-L132 HydrophobicContact CG-CG 4.03Å; W112-L132 HydrophobicContact CZ2-CB 4.48Å; W112-L132 HydrophobicContact CZ3-CD1 4.43Å; L132-Y139 HydrophobicContact CB-CD1 4.35Å; L132-Y139 HydrophobicContact CB-CE1 3.92Å; L132-G161 WeakPolarHBondContact O-CA 3.36Å; L132-G161 PolarHBondContact O-N 2.9Å; L132-F164 HydrophobicContact CD1-CD2 3.92Å; L132-F164 HydrophobicContact CD1-CE2 4.06Å
133F86.2Confident80.6Confident34 Ų3458.1 Ų58.115%0.14930%0.301CS..SBendtrans-140.6136-179.4-63.5-68.3000109.1T105 I108 Y139 G161 L165T105-F133 HydrophobicContact CG2-CD2 4.11Å; T105-F133 HydrophobicContact CG2-CE1 4.34Å; T105-F133 HydrophobicContact CG2-CE2 3.72Å; T105-F133 HydrophobicContact CG2-CZ 3.86Å; I108-F133 HydrophobicContact CB-CE2 4.31Å; I108-F133 HydrophobicContact CG2-CE2 3.89Å; I108-F133 HydrophobicContact CG2-CZ 4.17Å; F133-Y139 WeakPolarHBondContact O-CD1 3.46Å; F133-Y139 WeakPolarHBondContact O-CE1 3.42Å; F133-G161 WeakPolarHBondContact CE1-O 3.34Å; F133-L165 HydrophobicContact CE1-CD1 3.53Å; F133-L165 HydrophobicContact CE1-CG 4.08Å; F133-L165 HydrophobicContact CZ-CD1 3.79Å; F133-L165 HydrophobicContact CZ-CD2 4.48Å; F133-L165 HydrophobicContact CZ-CG 3.93Å
134N73.7Confident80.3Confident135 Ų13560.5 Ų60.572%0.72231%0.314SS*.SBendtrans45.1120.3173.3-70.9-25.9000116.2T136 M159N134-T136 PolarHBondContact O-N 3.01Å; N134-M159 PolarHBondContact N-SD 3.25Å; N134-M159 VanDerWaalsContact N-SD 3.38Å
135L64.2Low80Confident88 Ų8868.1 Ų68.146%0.46135%0.347SS..  trans-68.690.7177.3-64102.9000112.3Y143 M159L135-Y143 HydrophobicContact CD2-CD1 4.33Å; L135-Y143 HydrophobicContact CD2-CG 4.24Å; L135-M159 HydrophobicContact CD1-CE 3.22Å; L135-M159 HydrophobicContact CD2-CE 4.45Å; L135-M159 HydrophobicContact CG-CE 3.54Å
136T67.1Low79.9Confident82 Ų8262.6 Ų62.650%0.50333%0.328SS..  trans-87.9168.9152.849.90000109.5N134 L138 Y139 Q140N134-T136 PolarHBondContact O-N 3.01Å; T136-L138 PolarHBondContact O-N 3.26Å; T136-L138 VanDerWaalsContact O-N 3.11Å; T136-Y139 CarbonylContact O-C 3.56Å; T136-Y139 WeakPolarHBondContact O-CA 3.3Å; T136-Y139 WeakPolarHBondContact O-CB 3.35Å; T136-Y139 PolarHBondContact O-N 2.9Å; T136-Y139 WeakPolarHBondContact OG1-CD2 3.28Å; T136-Y139 VanDerWaalsContact OG1-CE2 3.31Å; T136-Y139 WeakPolarHBondContact OG1-CE2 3.45Å; T136-Q140 PolarHBondContact O-N 3.28Å
137T62.8Low80Confident130 Ų13061.4 Ų61.480%0.79832%0.316SS*.Hα-helixtrans-52.4-38.6-173.951.80000113.7Y139 Q140T137-Y139 VanDerWaalsContact C-N 3.34Å; T137-Q140 WeakPolarHBondContact O-CB 3.14Å; T137-Q140 PolarHBondContact O-N 3.17Å
138L64.4Low80Confident90 Ų9058.4 Ų58.447%0.47130%0.304SS..Hα-helixtrans-67.4-32.9176.6-16573.4000112.7W113 T136W113-L138 HydrophobicContact CD2-CD2 4.47Å; W113-L138 HydrophobicContact CE3-CD2 4.04Å; W113-L138 HydrophobicContact CH2-CB 4.35Å; W113-L138 HydrophobicContact CH2-CD2 3.32Å; W113-L138 HydrophobicContact CH2-CG 3.56Å; W113-L138 HydrophobicContact CZ2-CD2 3.8Å; W113-L138 HydrophobicContact CZ2-CG 4.41Å; W113-L138 HydrophobicContact CZ3-CD2 3.44Å; W113-L138 VanDerWaalsContact CZ3-CD2 3.44Å; W113-L138 HydrophobicContact CZ3-CG 3.77Å; T136-L138 PolarHBondContact O-N 3.26Å; T136-L138 VanDerWaalsContact O-N 3.11Å
139Y67.8Low80Confident26 Ų2660.7 Ų60.710%0.10232%0.316CS..Hα-helixtrans-81-26.6178.8-71.2-108.2000112N109 W113 L132 F133 T136 T137 Q141 D142 Y143N109-Y139 PolarHBondContact OD1-OH 3.41Å; N109-Y139 VanDerWaalsContact OD1-OH 3.05Å; W113-Y139 HydrophobicContact CH2-CD2 4.4Å; W113-Y139 HydrophobicContact CH2-CE2 4.42Å; W113-Y139 HydrophobicContact CZ2-CD1 4.36Å; W113-Y139 HydrophobicContact CZ2-CD2 4.01Å; W113-Y139 AromaticContact CZ2-CE1 3.94Å; W113-Y139 HydrophobicContact CZ2-CE1 3.94Å; W113-Y139 AromaticContact CZ2-CE2 3.61Å; W113-Y139 HydrophobicContact CZ2-CE2 3.61Å; W113-Y139 HydrophobicContact CZ2-CG 4.42Å; W113-Y139 AromaticContact CZ2-CZ 3.58Å; L132-Y139 HydrophobicContact CB-CD1 4.35Å; L132-Y139 HydrophobicContact CB-CE1 3.92Å; F133-Y139 WeakPolarHBondContact O-CD1 3.46Å; F133-Y139 WeakPolarHBondContact O-CE1 3.42Å; T136-Y139 CarbonylContact O-C 3.56Å; T136-Y139 WeakPolarHBondContact O-CA 3.3Å; T136-Y139 WeakPolarHBondContact O-CB 3.35Å; T136-Y139 PolarHBondContact O-N 2.9Å; T136-Y139 WeakPolarHBondContact OG1-CD2 3.28Å; T136-Y139 VanDerWaalsContact OG1-CE2 3.31Å; T136-Y139 WeakPolarHBondContact OG1-CE2 3.45Å; T137-Y139 VanDerWaalsContact C-N 3.34Å; Y139-Q141 VanDerWaalsContact C-N 3.32Å; Y139-D142 PolarHBondContact O-N 3.47Å; Y139-Y143 WeakPolarHBondContact O-CB 3.47Å; Y139-Y143 PolarHBondContact O-N 3.26Å
140Q71.3Confident80Confident78 Ų7861.3 Ų61.336%0.36432%0.319SS..Hα-helixtrans-60.4-44.1173-167.870.140.800110.8T136 T137 D142 Y143 D144T136-Q140 PolarHBondContact O-N 3.28Å; T137-Q140 WeakPolarHBondContact O-CB 3.14Å; T137-Q140 PolarHBondContact O-N 3.17Å; Q140-D142 PolarHBondContact O-N 2.93Å; Q140-Y143 PolarHBondContact O-N 2.85Å; Q140-D144 PolarHBondContact NE2-OD1 3.45Å; Q140-D144 WeakPolarHBondContact O-CB 3.33Å; Q140-D144 PolarHBondContact O-N 2.92Å
141Q75Confident79.8Confident117 Ų11764.7 Ų64.755%0.54733%0.334SS..Hα-helixtrans-58.2-47176.9-69.7-177.9-19.200111.7Y139 Y143 D144 F145Y139-Q141 VanDerWaalsContact C-N 3.32Å; Q141-Y143 VanDerWaalsContact C-N 3.34Å; Q141-Y143 PolarHBondContact O-N 3.43Å; Q141-D144 PolarHBondContact O-N 2.94Å; Q141-D144 VanDerWaalsContact O-N 3.16Å; Q141-F145 HydrophobicContact CB-CE2 4.39Å; Q141-F145 WeakPolarHBondContact O-CD2 3.25Å; Q141-F145 PolarHBondContact O-N 2.94Å
142D76.1Confident79.7Confident21 Ų2169.4 Ų69.411%0.11237%0.367CS..Hα-helixtrans-58.6-46.2176.9-16048.5000111.7W112 R120 Y139 Q140 D144 F145 C146W112-D142 WeakPolarHBondContact CZ2-OD2 3.31Å; W112-D142 PolarHBondContact NE1-OD2 2.9Å; W112-D142 VanDerWaalsContact NE1-OD2 3.08Å; R120-D142 IonicContact CZ-OD1 3.73Å; R120-D142 IonicContact CZ-OD2 3.37Å; R120-D142 IonicContact NE-OD1 3.94Å; R120-D142 PolarHBondContact NE-OD1 3.35Å; R120-D142 IonicContact NE-OD2 3.89Å; R120-D142 IonicContact NH2-OD1 3.94Å; R120-D142 PolarHBondContact NH2-OD1 2.7Å; R120-D142 IonicContact NH2-OD2 2.78Å; R120-D142 PolarHBondContact NH2-OD2 3.45Å; Y139-D142 PolarHBondContact O-N 3.47Å; Q140-D142 PolarHBondContact O-N 2.93Å; D142-D144 VanDerWaalsContact C-N 3.27Å; D142-D144 PolarHBondContact O-N 3.48Å; D142-F145 PolarHBondContact O-N 2.8Å; D142-C146 PolarHBondContact O-N 3.15Å
143Y81.4Confident79.6Confident31 Ų3176.7 Ų76.712%0.12240%0.401CS..Hα-helixtrans-63.2-32177.1-174-97.5000113.2C130 L135 Y139 Q140 Q141 C146 K151 C157C130-Y143 HydrophobicContact CB-CD2 3.46Å; C130-Y143 VanDerWaalsContact CB-CD2 3.46Å; C130-Y143 HydrophobicContact CB-CE2 3.68Å; C130-Y143 HydrophobicContact CB-CG 4.42Å; L135-Y143 HydrophobicContact CD2-CD1 4.33Å; L135-Y143 HydrophobicContact CD2-CG 4.24Å; Y139-Y143 WeakPolarHBondContact O-CB 3.47Å; Y139-Y143 PolarHBondContact O-N 3.26Å; Q140-Y143 PolarHBondContact O-N 2.85Å; Q141-Y143 VanDerWaalsContact C-N 3.34Å; Q141-Y143 PolarHBondContact O-N 3.43Å; Y143-C146 WeakPolarHBondContact O-CB 3.36Å; Y143-K151 HydrophobicContact CE1-CD 4.49Å; Y143-K151 PolarHBondContact O-NZ 3.37Å; Y143-C157 HydrophobicContact CE2-CB 4.34Å; Y143-C157 PolarHBondContact OH-N 3.34Å
144D82.1Confident79.6Confident94 Ų9477.2 Ų77.250%0.50341%0.409SS..Hα-helixtrans-77.8-33.9-179.7-66.8-19.7000112.2Q140 Q141 D142Q140-D144 PolarHBondContact NE2-OD1 3.45Å; Q140-D144 WeakPolarHBondContact O-CB 3.33Å; Q140-D144 PolarHBondContact O-N 2.92Å; Q141-D144 PolarHBondContact O-N 2.94Å; Q141-D144 VanDerWaalsContact O-N 3.16Å; D142-D144 VanDerWaalsContact C-N 3.27Å; D142-D144 PolarHBondContact O-N 3.48Å
145F85.4Confident79.9Confident163 Ų16376.8 Ų76.872%0.71541%0.414SS*.Hα-helixtrans-85.9-6.6175-66.1-66.1000114Q141 D142 T147Q141-F145 HydrophobicContact CB-CE2 4.39Å; Q141-F145 WeakPolarHBondContact O-CD2 3.25Å; Q141-F145 PolarHBondContact O-N 2.94Å; D142-F145 PolarHBondContact O-N 2.8Å; F145-T147 WeakPolarHBondContact O-CG2 3.38Å; F145-T147 PolarHBondContact O-N 3.23Å
146C89.4Confident80.8Confident9 Ų977.5 Ų77.56%0.06142%0.422CS..  trans-58.3131.6177.9-179.20000111.9C129 C130 D142 Y143C129-C146 PolarHBondContact O-SG 2.77Å; C130-C146 VanDerWaalsContact CA-SG 3.53Å; C130-C146 HydrophobicContact CB-CB 3.59Å; C130-C146 WeakPolarHBondContact CB-SG 3.28Å; C130-C146 WeakPolarHBondContact SG-CB 3.46Å; C130-C146 CovalentContact SG-SG 2.04Å; C130-C146 PolarHBondContact SG-SG 3.05Å; D142-C146 PolarHBondContact O-N 3.15Å; Y143-C146 WeakPolarHBondContact O-CB 3.36Å
147T89.5Confident81.8Confident70 Ų7074.3 Ų74.343%0.42940%0.403SS..  trans-113.917.2-179.267.90000113.7D121 R125 F145D121-T147 PolarHBondContact OD1-OG1 3.22Å; R125-T147 PolarHBondContact NE-OG1 2.79Å; R125-T147 PolarHBondContact NH2-OG1 3.41Å; F145-T147 WeakPolarHBondContact O-CG2 3.38Å; F145-T147 PolarHBondContact O-N 3.23Å
148A91Very high83.1Confident5 Ų572.6 Ų72.64%0.04139%0.386CS..  trans-63.8154.3176.100000112.2C150 K151A148-C150 VanDerWaalsContact C-N 3.32Å; A148-C150 PolarHBondContact O-N 3.09Å; A148-K151 WeakPolarHBondContact O-CB 3.38Å; A148-K151 PolarHBondContact O-N 3.46Å
149I91.1Very high84.4Confident101 Ų10169.8 Ų69.852%0.51837%0.371SS..Hα-helixtrans-65.6-37.5-174.1-62.5172.5000110.6D128 K151 S152 Q153D128-I149 WeakPolarHBondContact OD1-CA 3.4Å; D128-I149 PolarHBondContact OD1-N 3.2Å; I149-K151 PolarHBondContact O-N 2.87Å; I149-K151 VanDerWaalsContact O-N 3.1Å; I149-S152 PolarHBondContact O-N 3.13Å; I149-S152 PolarHBondContact O-OG 2.98Å; I149-Q153 HydrophobicContact CG2-CG 4.06Å; I149-Q153 PolarHBondContact O-N 3.25Å
150C92.1Very high85.5Confident12 Ų1268.6 Ų68.68%0.08137%0.366CS..Hα-helixtrans-50.2-35.6176.661.70000113.2D128 A148 S152 Q153 S154 C157D128-C150 WeakPolarHBondContact OD1-CB 3.31Å; D128-C150 PolarHBondContact OD1-N 2.96Å; A148-C150 VanDerWaalsContact C-N 3.32Å; A148-C150 PolarHBondContact O-N 3.09Å; C150-S152 PolarHBondContact O-N 3.42Å; C150-Q153 PolarHBondContact O-N 3.49Å; C150-S154 PolarHBondContact O-N 2.81Å; C150-C157 HydrophobicContact CB-CB 3.81Å; C150-C157 WeakPolarHBondContact CB-SG 3.49Å; C150-C157 WeakPolarHBondContact SG-CB 3.45Å; C150-C157 CovalentContact SG-SG 2.02Å; C150-C157 PolarHBondContact SG-SG 2.66Å
151K87.2Confident86.5Confident71 Ų7164.9 Ų64.931%0.30935%0.349SS..Hα-helixtrans-65.7-29.9-179.5-169.773.3177.7-1430112.1Y143 A148 I149Y143-K151 HydrophobicContact CE1-CD 4.49Å; Y143-K151 PolarHBondContact O-NZ 3.37Å; A148-K151 WeakPolarHBondContact O-CB 3.38Å; A148-K151 PolarHBondContact O-N 3.46Å; I149-K151 PolarHBondContact O-N 2.87Å; I149-K151 VanDerWaalsContact O-N 3.1Å
152S86.3Confident87.2Confident101 Ų10165 Ų6571%0.70635%0.349SS*.Hα-helixtrans-85.8-26.7177.471.20000113.4I149 C150I149-S152 PolarHBondContact O-N 3.13Å; I149-S152 PolarHBondContact O-OG 2.98Å; C150-S152 PolarHBondContact O-N 3.42Å
153Q87.9Confident88Confident152 Ų15266.1 Ų66.171%0.7135%0.353SS*.Hα-helixtrans-95.5-25.1-174.5-65.4-1741.300113.6I149 C150I149-Q153 HydrophobicContact CG2-CG 4.06Å; I149-Q153 PolarHBondContact O-N 3.25Å; C150-Q153 PolarHBondContact O-N 3.49Å
154S85.3Confident88.5Confident46 Ų4665.7 Ų65.732%0.32235%0.352SS..  trans-136.9144.6-174.6177.30000111.1C150 T156C150-S154 PolarHBondContact O-N 2.81Å; S154-T156 VanDerWaalsContact CB-O 3.32Å; S154-T156 WeakPolarHBondContact CB-O 3.27Å; S154-T156 PolarHBondContact O-N 3.02Å; S154-T156 PolarHBondContact OG-N 3.39Å; S154-T156 PolarHBondContact OG-O 2.85Å
155P81.6Confident89.1Confident126 Ų12662.1 Ų62.182%0.81833%0.333SS*.SBendtrans-62.8-24.7172.925.6-34000112.7
156T83Confident89.4Confident103 Ų10360.2 Ų60.263%0.63232%0.324SS*.SBendtrans-123.7130.1177.554.90000110.1S154S154-T156 VanDerWaalsContact CB-O 3.32Å; S154-T156 WeakPolarHBondContact CB-O 3.27Å; S154-T156 PolarHBondContact O-N 3.02Å; S154-T156 PolarHBondContact OG-N 3.39Å; S154-T156 PolarHBondContact OG-O 2.85Å
157C87.9Confident89.5Confident15 Ų1564.3 Ų64.310%0.10134%0.342CS..  trans-105.1145.6169.8-174.10000110.2C129 C130 Y143 C150C129-C157 VanDerWaalsContact CA-SG 3.5Å; C130-C157 HydrophobicContact CB-CB 4.26Å; Y143-C157 HydrophobicContact CE2-CB 4.34Å; Y143-C157 PolarHBondContact OH-N 3.34Å; C150-C157 HydrophobicContact CB-CB 3.81Å; C150-C157 WeakPolarHBondContact CB-SG 3.49Å; C150-C157 WeakPolarHBondContact SG-CB 3.45Å; C150-C157 CovalentContact SG-SG 2.02Å; C150-C157 PolarHBondContact SG-SG 2.66Å
158Q89.6Confident89.7Confident93 Ų9362.8 Ų62.844%0.43533%0.334SS..  trans-66.3146.4175.3-169.8178.12.500110.5C129 C130 E162C129-Q158 VanDerWaalsContact CA-O 3.27Å; C129-Q158 WeakPolarHBondContact CA-O 3.37Å; C129-Q158 VanDerWaalsContact CB-O 3.27Å; C129-Q158 WeakPolarHBondContact CB-O 3.35Å; C130-Q158 PolarHBondContact N-O 2.94Å; Q158-E162 PolarHBondContact NE2-OE2 3.19Å; Q158-E162 VanDerWaalsContact NE2-OE2 3.17Å
159M90.6Very high89.8Confident32 Ų3263.8 Ų63.816%0.15834%0.339CS..  trans-73.6141.5174-64.7-142.1152.800112.4N134 L135 G161N134-M159 PolarHBondContact N-SD 3.25Å; N134-M159 VanDerWaalsContact N-SD 3.38Å; L135-M159 HydrophobicContact CD1-CE 3.22Å; L135-M159 HydrophobicContact CD2-CE 4.45Å; L135-M159 HydrophobicContact CG-CE 3.54Å; M159-G161 VanDerWaalsContact C-N 3.32Å; M159-G161 PolarHBondContact O-N 3.27Å
160C92.1Very high90Very high0 Ų063.5 Ų63.50%034%0.335CS..Hα-helixtrans-67.1-32.7-179.6-65.90000112.9C129 G131 E162 K163 F164C129-C160 HydrophobicContact CB-CB 3.94Å; C129-C160 WeakPolarHBondContact CB-SG 3.48Å; C129-C160 PolarHBondContact O-SG 3.12Å; C129-C160 WeakPolarHBondContact SG-CA 3.19Å; C129-C160 WeakPolarHBondContact SG-CB 3.23Å; C129-C160 CovalentContact SG-SG 2.03Å; C129-C160 PolarHBondContact SG-SG 2.84Å; G131-C160 VanDerWaalsContact O-CB 3.27Å; G131-C160 WeakPolarHBondContact O-CB 3.37Å; G131-C160 PolarHBondContact O-N 3.32Å; C160-E162 VanDerWaalsContact C-N 3.33Å; C160-E162 PolarHBondContact O-N 3.13Å; C160-K163 PolarHBondContact O-N 3.48Å; C160-F164 HydrophobicContact CB-CD2 4.19Å; C160-F164 HydrophobicContact CB-CE1 4.37Å; C160-F164 HydrophobicContact CB-CE2 3.62Å; C160-F164 HydrophobicContact CB-CZ 3.72Å; C160-F164 WeakPolarHBondContact O-CB 3.27Å; C160-F164 WeakPolarHBondContact O-CD2 3.44Å; C160-F164 WeakPolarHBondContact O-CG 3.18Å; C160-F164 PolarHBondContact O-N 3.29Å
161G92.3Very high90.1Very high0 Ų065 Ų650%035%0.348CS..Hα-helixtrans-60.6-39.6-177.600000113.3L132 F133 M159 F164 L165L132-G161 WeakPolarHBondContact O-CA 3.36Å; L132-G161 PolarHBondContact O-N 2.9Å; F133-G161 WeakPolarHBondContact CE1-O 3.34Å; M159-G161 VanDerWaalsContact C-N 3.32Å; M159-G161 PolarHBondContact O-N 3.27Å; G161-F164 PolarHBondContact O-N 2.87Å; G161-L165 WeakPolarHBondContact O-CB 3.49Å; G161-L165 VanDerWaalsContact O-CG 3.25Å; G161-L165 WeakPolarHBondContact O-CG 3.38Å; G161-L165 PolarHBondContact O-N 3.43Å
162E89.9Confident90.5Very high119 Ų11963.3 Ų63.356%0.55634%0.343SS*.Hα-helixtrans-64.5-44.3175.4-68.3-176.2171.400112.1Q158 C160 L165 K166Q158-E162 PolarHBondContact NE2-OE2 3.19Å; Q158-E162 VanDerWaalsContact NE2-OE2 3.17Å; C160-E162 VanDerWaalsContact C-N 3.33Å; C160-E162 PolarHBondContact O-N 3.13Å; E162-L165 PolarHBondContact O-N 3.26Å; E162-K166 PolarHBondContact O-N 3.04Å; E162-K166 VanDerWaalsContact O-N 3.08Å
163K91.7Very high91Very high45 Ų4563.9 Ų63.920%0.19633%0.332CS..Hα-helixtrans-61.7-46.7176.2-72.1-172177.3176.80110.6F127 D128 C129 C160 L165 K166 H167F127-K163 HydrophobicContact CB-CD 4.45Å; F127-K163 WeakPolarHBondContact O-CD 3.28Å; F127-K163 PolarHBondContact O-NZ 2.95Å; D128-K163 PolarHBondContact O-NZ 2.94Å; C129-K163 HydrophobicContact CB-CD 4.05Å; C160-K163 PolarHBondContact O-N 3.48Å; K163-L165 PolarHBondContact O-N 3.49Å; K163-K166 PolarHBondContact O-N 3.47Å; K163-H167 PolarHBondContact O-CD2 3.04Å; K163-H167 PolarHBondContact O-N 3.42Å
164F93Very high91.5Very high23 Ų2362 Ų6210%0.10133%0.327CS..Hα-helixtrans-62.9-42.4178.3-64.1-21.8000112.5I108 W112 L123 F127 L132 C160 G161 K166 H167 S168I108-F164 HydrophobicContact CD1-CB 3.92Å; I108-F164 HydrophobicContact CG2-CD2 4.11Å; W112-F164 AromaticContact CE3-CE2 3.91Å; W112-F164 HydrophobicContact CE3-CE2 3.91Å; W112-F164 HydrophobicContact CH2-CE2 4.2Å; W112-F164 HydrophobicContact CH2-CZ 4.47Å; W112-F164 AromaticContact CZ3-CE2 3.44Å; W112-F164 HydrophobicContact CZ3-CE2 3.44Å; W112-F164 VanDerWaalsContact CZ3-CE2 3.44Å; W112-F164 AromaticContact CZ3-CZ 3.87Å; W112-F164 HydrophobicContact CZ3-CZ 3.87Å; L123-F164 HydrophobicContact CB-CZ 4.1Å; L123-F164 HydrophobicContact CD1-CZ 4.4Å; F127-F164 HydrophobicContact CB-CE1 4.41Å; F127-F164 HydrophobicContact CD1-CE1 4.44Å; F127-F164 AromaticContact CD2-CE1 3.7Å; F127-F164 HydrophobicContact CD2-CE1 3.7Å; F127-F164 HydrophobicContact CE2-CE1 4.01Å; F127-F164 AromaticContact CG-CE1 3.92Å; F127-F164 HydrophobicContact CG-CE1 3.92Å; L132-F164 HydrophobicContact CD1-CD2 3.92Å; L132-F164 HydrophobicContact CD1-CE2 4.06Å; C160-F164 HydrophobicContact CB-CD2 4.19Å; C160-F164 HydrophobicContact CB-CE1 4.37Å; C160-F164 HydrophobicContact CB-CE2 3.62Å; C160-F164 HydrophobicContact CB-CZ 3.72Å; C160-F164 WeakPolarHBondContact O-CB 3.27Å; C160-F164 WeakPolarHBondContact O-CD2 3.44Å; C160-F164 WeakPolarHBondContact O-CG 3.18Å; C160-F164 PolarHBondContact O-N 3.29Å; G161-F164 PolarHBondContact O-N 2.87Å; F164-K166 VanDerWaalsContact C-N 3.31Å; F164-K166 PolarHBondContact O-N 2.86Å; F164-H167 PolarHBondContact O-N 3.19Å; F164-S168 WeakPolarHBondContact O-CA 3.41Å; F164-S168 WeakPolarHBondContact O-CB 3.43Å; F164-S168 PolarHBondContact O-N 3.43Å; F164-S168 PolarHBondContact O-OG 3.28Å
165L94Very high91.9Very high19 Ų1965.2 Ų65.210%0.09934%0.339CS..Hα-helixtrans-61.8-40.4176.5-75.1172.8000111.8R101 Q104 I108 F133 G161 E162 K163 D169R101-L165 VanDerWaalsContact NH1-C 3.29Å; R101-L165 PolarHBondContact NH1-O 2.88Å; Q104-L165 HydrophobicContact CB-CD2 3.56Å; Q104-L165 PolarHBondContact OE1-O 3.23Å; I108-L165 HydrophobicContact CD1-CD2 3.75Å; I108-L165 HydrophobicContact CD1-CG 4.11Å; F133-L165 HydrophobicContact CE1-CD1 3.53Å; F133-L165 HydrophobicContact CE1-CG 4.08Å; F133-L165 HydrophobicContact CZ-CD1 3.79Å; F133-L165 HydrophobicContact CZ-CD2 4.48Å; F133-L165 HydrophobicContact CZ-CG 3.93Å; G161-L165 WeakPolarHBondContact O-CB 3.49Å; G161-L165 VanDerWaalsContact O-CG 3.25Å; G161-L165 WeakPolarHBondContact O-CG 3.38Å; G161-L165 PolarHBondContact O-N 3.43Å; E162-L165 PolarHBondContact O-N 3.26Å; K163-L165 PolarHBondContact O-N 3.49Å; L165-D169 WeakPolarHBondContact O-CB 3.24Å; L165-D169 PolarHBondContact O-N 2.92Å; L165-D169 VanDerWaalsContact O-N 3.08Å
166K92Very high92.7Very high123 Ų12359.2 Ų59.254%0.53530%0.3SS..Hα-helixtrans-64.8-51.2177.4-172.3-179.5176.5-175.30111.5E162 K163 F164 S168 D169 E170E162-K166 PolarHBondContact O-N 3.04Å; E162-K166 VanDerWaalsContact O-N 3.08Å; K163-K166 PolarHBondContact O-N 3.47Å; F164-K166 VanDerWaalsContact C-N 3.31Å; F164-K166 PolarHBondContact O-N 2.86Å; K166-S168 PolarHBondContact O-N 3.29Å; K166-D169 PolarHBondContact O-N 3.49Å; K166-E170 PolarHBondContact O-N 3.46Å
167H91.8Very high93.4Very high94 Ų9456 Ų5644%0.43529%0.287SS..Hα-helixtrans-66.2-37179.6-74.8-62.7000112.9F127 K163 F164 A171F127-H167 AromaticContact CE1-CD2 3.65Å; F127-H167 AromaticContact CE1-NE2 3.99Å; K163-H167 PolarHBondContact O-CD2 3.04Å; K163-H167 PolarHBondContact O-N 3.42Å; F164-H167 PolarHBondContact O-N 3.19Å; H167-A171 VanDerWaalsContact O-CB 3.22Å; H167-A171 WeakPolarHBondContact O-CB 3.41Å; H167-A171 PolarHBondContact O-N 3.5Å
168S93.2Very high93.8Very high38 Ų3858.8 Ų58.827%0.26630%0.304SS..Hα-helixtrans-66.2-43.5178.3-60.60000111.2F164 K166 E170 A171 L172F164-S168 WeakPolarHBondContact O-CA 3.41Å; F164-S168 WeakPolarHBondContact O-CB 3.43Å; F164-S168 PolarHBondContact O-N 3.43Å; F164-S168 PolarHBondContact O-OG 3.28Å; K166-S168 PolarHBondContact O-N 3.29Å; S168-E170 PolarHBondContact O-N 2.96Å; S168-A171 PolarHBondContact O-N 2.97Å; S168-L172 WeakPolarHBondContact O-CB 3.3Å; S168-L172 VanDerWaalsContact O-CD1 3.31Å; S168-L172 WeakPolarHBondContact O-CD1 3.45Å; S168-L172 WeakPolarHBondContact O-CG 3.39Å; S168-L172 PolarHBondContact O-N 3.22Å
169D94.1Very high94.2Very high27 Ų2755 Ų5514%0.14429%0.29CS..Hα-helixtrans-61-43.7178.2-174.570000112.4R101 Q104 L165 K166 K173R101-D169 IonicContact NE-OD1 3.39Å; R101-D169 IonicContact NH2-OD2 3.93Å; R101-D169 PolarHBondContact NH2-OD2 3.19Å; Q104-D169 PolarHBondContact NE2-OD1 2.97Å; L165-D169 WeakPolarHBondContact O-CB 3.24Å; L165-D169 PolarHBondContact O-N 2.92Å; L165-D169 VanDerWaalsContact O-N 3.08Å; K166-D169 PolarHBondContact O-N 3.49Å; D169-K173 WeakPolarHBondContact O-CD 3.33Å; D169-K173 VanDerWaalsContact O-CG 3.29Å; D169-K173 WeakPolarHBondContact O-CG 3.5Å; D169-K173 PolarHBondContact O-N 3.38Å; D169-K173 VanDerWaalsContact O-N 3.15Å; D169-K173 IonicContact OD1-NZ 2.73Å; D169-K173 IonicContact OD2-NZ 3.79Å; D169-K173 PolarHBondContact OD2-NZ 3.23Å
170E94.7Very high94.5Very high94 Ų9455.6 Ų55.644%0.43929%0.294SS..Hα-helixtrans-64.8-47.3175.3-69.8172.2-164.400111.2K166 S168 L172 K173 I174K166-E170 PolarHBondContact O-N 3.46Å; S168-E170 PolarHBondContact O-N 2.96Å; E170-L172 PolarHBondContact O-N 2.87Å; E170-K173 PolarHBondContact O-N 3.26Å; E170-I174 WeakPolarHBondContact O-CG1 3.32Å; E170-I174 PolarHBondContact O-N 2.84Å
171A94.2Very high94.7Very high43 Ų4361.7 Ų61.736%0.35532%0.321SS..Hα-helixtrans-63-43.7179.500000112.2H167 S168 K173 I174 L175H167-A171 VanDerWaalsContact O-CB 3.22Å; H167-A171 WeakPolarHBondContact O-CB 3.41Å; H167-A171 PolarHBondContact O-N 3.5Å; S168-A171 PolarHBondContact O-N 2.97Å; A171-K173 VanDerWaalsContact C-N 3.34Å; A171-K173 PolarHBondContact O-N 2.87Å; A171-I174 PolarHBondContact O-N 3.39Å; A171-L175 VanDerWaalsContact O-CB 3.3Å; A171-L175 WeakPolarHBondContact O-CB 3.42Å; A171-L175 VanDerWaalsContact O-CG 3.23Å; A171-L175 WeakPolarHBondContact O-CG 3.49Å; A171-L175 PolarHBondContact O-N 3.05Å
172L96Very high94.9Very high36 Ų3663.9 Ų63.919%0.18833%0.33CS..Hα-helixtrans-64.1-38.7179-75.7162.8000111.8C96 I99 Q104 S168 E170 G176C96-L172 HydrophobicContact CB-CD2 3.96Å; I99-L172 HydrophobicContact CG2-CB 4.46Å; I99-L172 HydrophobicContact CG2-CD1 3.58Å; I99-L172 HydrophobicContact CG2-CD2 4.37Å; I99-L172 HydrophobicContact CG2-CG 4.36Å; Q104-L172 HydrophobicContact CG-CD1 3.99Å; S168-L172 WeakPolarHBondContact O-CB 3.3Å; S168-L172 VanDerWaalsContact O-CD1 3.31Å; S168-L172 WeakPolarHBondContact O-CD1 3.45Å; S168-L172 WeakPolarHBondContact O-CG 3.39Å; S168-L172 PolarHBondContact O-N 3.22Å; E170-L172 PolarHBondContact O-N 2.87Å; L172-G176 WeakPolarHBondContact O-CA 3.33Å; L172-G176 PolarHBondContact O-N 2.89Å
173K96.8Very high95.2Very high113 Ų11358.3 Ų58.349%0.49130%0.304SS..Hα-helixtrans-63.5-44.5173.4-75.8168.2-179.8162.70112.1D169 E170 A171 G177D169-K173 WeakPolarHBondContact O-CD 3.33Å; D169-K173 VanDerWaalsContact O-CG 3.29Å; D169-K173 WeakPolarHBondContact O-CG 3.5Å; D169-K173 PolarHBondContact O-N 3.38Å; D169-K173 VanDerWaalsContact O-N 3.15Å; D169-K173 IonicContact OD1-NZ 2.73Å; D169-K173 IonicContact OD2-NZ 3.79Å; D169-K173 PolarHBondContact OD2-NZ 3.23Å; E170-K173 PolarHBondContact O-N 3.26Å; A171-K173 VanDerWaalsContact C-N 3.34Å; A171-K173 PolarHBondContact O-N 2.87Å; K173-G177 PolarHBondContact O-N 3.33Å
174I96.9Very high95.4Very high114 Ų11461.9 Ų61.959%0.58532%0.32SS*.Hα-helixtrans-66.1-52.1178-66.8166.1000110.5E170 A171 G176 G177 V178E170-I174 WeakPolarHBondContact O-CG1 3.32Å; E170-I174 PolarHBondContact O-N 2.84Å; A171-I174 PolarHBondContact O-N 3.39Å; I174-G176 PolarHBondContact O-N 3.09Å; I174-G177 PolarHBondContact O-N 3.16Å; I174-V178 HydrophobicContact CG2-CG2 4.33Å; I174-V178 WeakPolarHBondContact O-CB 3.48Å; I174-V178 VanDerWaalsContact O-CG2 3.3Å; I174-V178 WeakPolarHBondContact O-CG2 3.3Å; I174-V178 PolarHBondContact O-N 3.46Å
175L95.6Very high95.5Very high113 Ų11362 Ų6259%0.59232%0.323SS*.Hα-helixtrans-60.7-45.3-179.2-71.6172.4000111.6A171 V178 G179A171-L175 VanDerWaalsContact O-CB 3.3Å; A171-L175 WeakPolarHBondContact O-CB 3.42Å; A171-L175 VanDerWaalsContact O-CG 3.23Å; A171-L175 WeakPolarHBondContact O-CG 3.49Å; A171-L175 PolarHBondContact O-N 3.05Å; L175-V178 PolarHBondContact O-N 3.02Å; L175-G179 PolarHBondContact O-N 2.92Å
176G97.8Very high95.6Very high0 Ų061.4 Ų61.40%032%0.319CS..Hα-helixtrans-63.6-41.217600000112.4S93 L172 I174 L180S93-G176 WeakPolarHBondContact CB-O 3.3Å; L172-G176 WeakPolarHBondContact O-CA 3.33Å; L172-G176 PolarHBondContact O-N 2.89Å; I174-G176 PolarHBondContact O-N 3.09Å; G176-L180 WeakPolarHBondContact O-CB 3.25Å; G176-L180 PolarHBondContact O-N 3.39Å
177G97.8Very high95.9Very high35 Ų3559 Ų5936%0.36131%0.311SS..Hα-helixtrans-64.1-46175.300000113K173 I174 L180 F181K173-G177 PolarHBondContact O-N 3.33Å; I174-G177 PolarHBondContact O-N 3.16Å; G177-L180 PolarHBondContact O-N 2.81Å; G177-F181 PolarHBondContact O-N 3.43Å
178V96.3Very high96Very high73 Ų7359.3 Ų59.344%0.44232%0.316SS..Hα-helixtrans-63.9-46.9178.4171.10000111.1I174 L175 L180 F181 F182I174-V178 HydrophobicContact CG2-CG2 4.33Å; I174-V178 WeakPolarHBondContact O-CB 3.48Å; I174-V178 VanDerWaalsContact O-CG2 3.3Å; I174-V178 WeakPolarHBondContact O-CG2 3.3Å; I174-V178 PolarHBondContact O-N 3.46Å; L175-V178 PolarHBondContact O-N 3.02Å; V178-L180 VanDerWaalsContact C-N 3.32Å; V178-L180 PolarHBondContact O-N 2.83Å; V178-F181 WeakPolarHBondContact O-CB 3.36Å; V178-F181 PolarHBondContact O-N 3.41Å; V178-F182 HydrophobicContact CG1-CD2 3.81Å; V178-F182 HydrophobicContact CG1-CE2 3.72Å; V178-F182 VanDerWaalsContact O-CD2 3.28Å; V178-F182 WeakPolarHBondContact O-CD2 3.29Å; V178-F182 PolarHBondContact O-N 3.23Å
179G97Very high96.2Very high15 Ų1557.5 Ų57.516%0.15530%0.303CS..Hα-helixtrans-63.7-36.6178.100000112.8S93 L175 F182 S183S93-G179 VanDerWaalsContact OG-CA 3.23Å; S93-G179 WeakPolarHBondContact OG-CA 3.18Å; L175-G179 PolarHBondContact O-N 2.92Å; G179-F182 PolarHBondContact O-N 3.44Å; G179-S183 WeakPolarHBondContact O-CB 3.35Å; G179-S183 PolarHBondContact O-N 3.26Å; G179-S183 PolarHBondContact O-OG 3.39Å
180L97.4Very high96.3Very high44 Ų4457.1 Ų57.123%0.2330%0.302CS..Hα-helixtrans-68.2-40.2175.3-168.6154.7000111.6S93 L97 G176 G177 V178 S183 F184S93-L180 PolarHBondContact OG-N 2.87Å; L97-L180 HydrophobicContact CD1-CD1 3.81Å; G176-L180 WeakPolarHBondContact O-CB 3.25Å; G176-L180 PolarHBondContact O-N 3.39Å; G177-L180 PolarHBondContact O-N 2.81Å; V178-L180 VanDerWaalsContact C-N 3.32Å; V178-L180 PolarHBondContact O-N 2.83Å; L180-S183 WeakPolarHBondContact O-CB 3.48Å; L180-S183 PolarHBondContact O-N 2.78Å; L180-F184 HydrophobicContact CD2-CD2 3.7Å; L180-F184 HydrophobicContact CD2-CE2 3.13Å; L180-F184 HydrophobicContact CD2-CZ 3.82Å; L180-F184 HydrophobicContact CG-CE2 4.34Å; L180-F184 WeakPolarHBondContact O-CD2 3.34Å; L180-F184 PolarHBondContact O-N 2.85Å; L180-F184 VanDerWaalsContact O-N 3.13Å
181F97.2Very high96.4Very high128 Ų12858.8 Ų58.856%0.56130%0.304SS*.Hα-helixtrans-57.8-48.9172.4173.7-95.3000111.4G177 V178 S183 F184 T185G177-F181 PolarHBondContact O-N 3.43Å; V178-F181 WeakPolarHBondContact O-CB 3.36Å; V178-F181 PolarHBondContact O-N 3.41Å; F181-S183 PolarHBondContact O-N 3.27Å; F181-F184 PolarHBondContact O-N 3.45Å; F181-T185 HydrophobicContact CE1-CG2 4.2Å; F181-T185 HydrophobicContact CZ-CG2 4.31Å; F181-T185 PolarHBondContact O-N 3.38Å
182F95.6Very high96.4Very high46 Ų4658.2 Ų58.220%0.20230%0.295CS..Hα-helixtrans-63.2-41.2176.7-79.5-66.5000112Y20 V23 V178 G179 F184 T185 E186Y20-F182 HydrophobicContact CE1-CD1 4.16Å; Y20-F182 HydrophobicContact CE1-CE1 4.48Å; V23-F182 HydrophobicContact CB-CZ 4.41Å; V23-F182 HydrophobicContact CG1-CE1 4.21Å; V23-F182 HydrophobicContact CG1-CE2 4.44Å; V23-F182 HydrophobicContact CG1-CZ 3.75Å; V23-F182 HydrophobicContact CG2-CE1 3.97Å; V23-F182 HydrophobicContact CG2-CZ 3.8Å; V178-F182 HydrophobicContact CG1-CD2 3.81Å; V178-F182 HydrophobicContact CG1-CE2 3.72Å; V178-F182 VanDerWaalsContact O-CD2 3.28Å; V178-F182 WeakPolarHBondContact O-CD2 3.29Å; V178-F182 PolarHBondContact O-N 3.23Å; G179-F182 PolarHBondContact O-N 3.44Å; F182-F184 PolarHBondContact O-N 3.28Å; F182-T185 CarbonylContact O-C 3.54Å; F182-T185 WeakPolarHBondContact O-CA 3.49Å; F182-T185 PolarHBondContact O-N 2.94Å; F182-T185 PolarHBondContact O-OG1 3.03Å; F182-E186 WeakPolarHBondContact O-CG 3.27Å; F182-E186 PolarHBondContact O-N 2.89Å
183S96.8Very high96.4Very high1 Ų156.5 Ų56.51%0.00729%0.286CS..Hα-helixtrans-53.8-39.8175.4-60.30000112.3F86 Q89 F90 G179 L180 F181 E186 I187F86-S183 VanDerWaalsContact CD2-O 3.24Å; F86-S183 WeakPolarHBondContact CD2-O 3.36Å; Q89-S183 WeakPolarHBondContact CB-OG 3.41Å; F90-S183 PolarHBondContact N-OG 3.47Å; G179-S183 WeakPolarHBondContact O-CB 3.35Å; G179-S183 PolarHBondContact O-N 3.26Å; G179-S183 PolarHBondContact O-OG 3.39Å; L180-S183 WeakPolarHBondContact O-CB 3.48Å; L180-S183 PolarHBondContact O-N 2.78Å; F181-S183 PolarHBondContact O-N 3.27Å; S183-E186 PolarHBondContact O-N 3.47Å; S183-I187 WeakPolarHBondContact O-CG2 3.47Å; S183-I187 PolarHBondContact O-N 3.32Å
184F95.3Very high96.3Very high120 Ų12055.2 Ų55.253%0.52628%0.283SS..Hα-helixtrans-66.5-38.8174.1-73.5-50.3000113.4L180 F181 F182 E186 I187 L188L180-F184 HydrophobicContact CD2-CD2 3.7Å; L180-F184 HydrophobicContact CD2-CE2 3.13Å; L180-F184 HydrophobicContact CD2-CZ 3.82Å; L180-F184 HydrophobicContact CG-CE2 4.34Å; L180-F184 WeakPolarHBondContact O-CD2 3.34Å; L180-F184 PolarHBondContact O-N 2.85Å; L180-F184 VanDerWaalsContact O-N 3.13Å; F181-F184 PolarHBondContact O-N 3.45Å; F182-F184 PolarHBondContact O-N 3.28Å; F184-E186 VanDerWaalsContact C-N 3.3Å; F184-I187 WeakPolarHBondContact O-CG2 3.44Å; F184-L188 VanDerWaalsContact O-CG 3.3Å; F184-L188 WeakPolarHBondContact O-CG 3.33Å; F184-L188 PolarHBondContact O-N 3.18Å
185T95.6Very high96.2Very high27 Ų2753.6 Ų53.617%0.16627%0.269CS..Hα-helixtrans-67.4-34.8174.868.30000111.7Y20 F181 F182 L188 G189Y20-T185 WeakPolarHBondContact CE1-OG1 3.37Å; Y20-T185 VanDerWaalsContact OH-CB 3.31Å; Y20-T185 WeakPolarHBondContact OH-CB 3.38Å; Y20-T185 PolarHBondContact OH-O 3.43Å; Y20-T185 PolarHBondContact OH-OG1 3.04Å; F181-T185 HydrophobicContact CE1-CG2 4.2Å; F181-T185 HydrophobicContact CZ-CG2 4.31Å; F181-T185 PolarHBondContact O-N 3.38Å; F182-T185 CarbonylContact O-C 3.54Å; F182-T185 WeakPolarHBondContact O-CA 3.49Å; F182-T185 PolarHBondContact O-N 2.94Å; F182-T185 PolarHBondContact O-OG1 3.03Å; T185-L188 PolarHBondContact O-N 3.02Å; T185-G189 PolarHBondContact O-N 3.49Å
186E96.5Very high96.1Very high6 Ų648.2 Ų48.23%0.02824%0.241CC..Hα-helixtrans-70.6-44.2-178.8-70.2-178.3169.800111.4Y20 L82 V85 F86 Q89 F182 S183 F184 L188 G189 V190Y20-E186 WeakPolarHBondContact OH-CA 3.5Å; Y20-E186 PolarHBondContact OH-N 3.01Å; Y20-E186 VanDerWaalsContact OH-N 3.15Å; L82-E186 HydrophobicContact CD1-CB 4.17Å; L82-E186 HydrophobicContact CD1-CG 3.8Å; L82-E186 HydrophobicContact CG-CB 4.14Å; L82-E186 HydrophobicContact CG-CG 4.34Å; V85-E186 VanDerWaalsContact CG1-OE1 3.28Å; V85-E186 WeakPolarHBondContact CG1-OE1 3.26Å; F86-E186 WeakPolarHBondContact CA-OE2 3.35Å; F86-E186 HydrophobicContact CB-CB 4.12Å; F86-E186 PolarHBondContact N-OE2 3.25Å; Q89-E186 VanDerWaalsContact CD-OE1 3.26Å; Q89-E186 PolarHBondContact NE2-OE1 2.95Å; Q89-E186 VanDerWaalsContact OE1-CD 3.27Å; Q89-E186 PolarHBondContact OE1-OE1 2.98Å; Q89-E186 VanDerWaalsContact OE1-OE1 3.11Å; Q89-E186 PolarHBondContact OE1-OE2 3.18Å; F182-E186 WeakPolarHBondContact O-CG 3.27Å; F182-E186 PolarHBondContact O-N 2.89Å; S183-E186 PolarHBondContact O-N 3.47Å; F184-E186 VanDerWaalsContact C-N 3.3Å; E186-L188 VanDerWaalsContact C-N 3.29Å; E186-L188 PolarHBondContact O-N 3.46Å; E186-G189 CarbonylContact O-C 3.6Å; E186-G189 WeakPolarHBondContact O-CA 3.27Å; E186-G189 PolarHBondContact O-N 3.32Å; E186-V190 WeakPolarHBondContact O-CG2 3.34Å; E186-V190 PolarHBondContact O-N 2.9Å
187I96.5Very high95.8Very high71 Ų7152 Ų5236%0.36426%0.255SS..Hα-helixtrans-63-37.4174.7-171.461.8000111.6F86 S183 F184 G189 V190 W191F86-I187 HydrophobicContact CD2-CB 4.25Å; F86-I187 HydrophobicContact CE1-CD1 4.34Å; F86-I187 HydrophobicContact CE2-CB 4.08Å; F86-I187 HydrophobicContact CE2-CG2 4.49Å; F86-I187 HydrophobicContact CZ-CB 4.37Å; S183-I187 WeakPolarHBondContact O-CG2 3.47Å; S183-I187 PolarHBondContact O-N 3.32Å; F184-I187 WeakPolarHBondContact O-CG2 3.44Å; I187-G189 VanDerWaalsContact C-N 3.33Å; I187-V190 PolarHBondContact O-N 3.31Å; I187-W191 WeakPolarHBondContact O-CB 3.16Å; I187-W191 PolarHBondContact O-N 3.21Å
188L95.3Very high95.5Very high102 Ų10256.8 Ų56.853%0.53427%0.273SS..Hα-helixtrans-64-39.8170.9-72.1174.6000111.3F184 T185 E186 W191 L192F184-L188 VanDerWaalsContact O-CG 3.3Å; F184-L188 WeakPolarHBondContact O-CG 3.33Å; F184-L188 PolarHBondContact O-N 3.18Å; T185-L188 PolarHBondContact O-N 3.02Å; E186-L188 VanDerWaalsContact C-N 3.29Å; E186-L188 PolarHBondContact O-N 3.46Å; L188-W191 PolarHBondContact O-N 2.81Å; L188-L192 VanDerWaalsContact O-CB 3.32Å; L188-L192 WeakPolarHBondContact O-CB 3.23Å; L188-L192 VanDerWaalsContact O-CG 3.23Å; L188-L192 WeakPolarHBondContact O-CG 3.32Å; L188-L192 PolarHBondContact O-N 3.42Å
189G96.6Very high95.1Very high0 Ų055.1 Ų55.10%026%0.26CS..Hα-helixtrans-61.5-45.9174.900000113.2T185 E186 I187 L192 A193T185-G189 PolarHBondContact O-N 3.49Å; E186-G189 CarbonylContact O-C 3.6Å; E186-G189 WeakPolarHBondContact O-CA 3.27Å; E186-G189 PolarHBondContact O-N 3.32Å; I187-G189 VanDerWaalsContact C-N 3.33Å; G189-L192 PolarHBondContact O-N 3.07Å; G189-A193 VanDerWaalsContact O-CB 3.29Å; G189-A193 WeakPolarHBondContact O-CB 3.28Å; G189-A193 PolarHBondContact O-N 2.98Å
190V97.5Very high94.4Very high18 Ų1861.6 Ų61.611%0.10928%0.284CS..Hα-helixtrans-61.8-46.5174.8175.90000110L82 E186 I187 A193 M194L82-V190 HydrophobicContact CB-CG2 3.95Å; L82-V190 HydrophobicContact CD2-CG2 3.85Å; L82-V190 HydrophobicContact CG-CG2 3.95Å; E186-V190 WeakPolarHBondContact O-CG2 3.34Å; E186-V190 PolarHBondContact O-N 2.9Å; I187-V190 PolarHBondContact O-N 3.31Å; V190-A193 PolarHBondContact O-N 3.33Å; V190-M194 HydrophobicContact CG1-CE 4.03Å; V190-M194 HydrophobicContact CG1-CG 4.49Å; V190-M194 HydrophobicContact CG1-SD 4.45Å; V190-M194 WeakPolarHBondContact O-CB 3.49Å; V190-M194 WeakPolarHBondContact O-CG 3.43Å; V190-M194 PolarHBondContact O-N 2.86Å
191W95.6Very high93.6Very high130 Ų13061.5 Ų61.549%0.49228%0.284SS..Hα-helixtrans-61.2-45.7177178.582.2000112.9I187 L188 M194 R195I187-W191 WeakPolarHBondContact O-CB 3.16Å; I187-W191 PolarHBondContact O-N 3.21Å; L188-W191 PolarHBondContact O-N 2.81Å; W191-M194 HydrophobicContact CB-CE 4.46Å; W191-M194 PolarHBondContact O-N 2.87Å; W191-R195 WeakPolarHBondContact O-CB 3.44Å; W191-R195 PolarHBondContact O-N 3.42Å
192L95.2Very high92.7Very high30 Ų3060.3 Ų60.316%0.15729%0.289CS..Hα-helixtrans-61.6-43.8176.1-76.5173000111.4A12 L13 L188 G189 R195 F196A12-L192 HydrophobicContact CB-CD1 4.02Å; A12-L192 HydrophobicContact CB-CD2 4.44Å; L13-L192 HydrophobicContact CD1-CB 4.49Å; L188-L192 VanDerWaalsContact O-CB 3.32Å; L188-L192 WeakPolarHBondContact O-CB 3.23Å; L188-L192 VanDerWaalsContact O-CG 3.23Å; L188-L192 WeakPolarHBondContact O-CG 3.32Å; L188-L192 PolarHBondContact O-N 3.42Å; G189-L192 PolarHBondContact O-N 3.07Å; L192-R195 PolarHBondContact O-N 3.4Å; L192-F196 WeakPolarHBondContact O-CB 3.34Å; L192-F196 PolarHBondContact O-N 3.04Å
193A95.8Very high91.8Very high0 Ų068 Ų680%032%0.316CS..Hα-helixtrans-66.7-40.1178.300000112.3L13 Y78 M79 G189 V190 F196 R197L13-A193 HydrophobicContact CD1-CB 4.26Å; L13-A193 HydrophobicContact CD2-CB 4.18Å; Y78-A193 HydrophobicContact CD1-CB 4.16Å; Y78-A193 HydrophobicContact CE1-CB 4.03Å; M79-A193 HydrophobicContact CG-CB 3.45Å; M79-A193 VanDerWaalsContact CG-CB 3.45Å; M79-A193 VanDerWaalsContact SD-C 3.54Å; M79-A193 HydrophobicContact SD-CB 3.82Å; G189-A193 VanDerWaalsContact O-CB 3.29Å; G189-A193 WeakPolarHBondContact O-CB 3.28Å; G189-A193 PolarHBondContact O-N 2.98Å; V190-A193 PolarHBondContact O-N 3.33Å; A193-F196 PolarHBondContact O-N 2.96Å; A193-R197 VanDerWaalsContact O-CB 3.25Å; A193-R197 WeakPolarHBondContact O-CB 3.3Å; A193-R197 PolarHBondContact O-N 3.29Å
194M95Very high90.6Very high86 Ų8670.2 Ų70.242%0.42434%0.335SS..Hα-helixtrans-60.5-48.2174.3-77.4-171-63.900110.7M79 V190 W191 N198M79-M194 HydrophobicContact CE-CG 4.42Å; M79-M194 WeakPolarHBondContact SD-CA 3.31Å; M79-M194 HydrophobicContact SD-CB 4Å; M79-M194 HydrophobicContact SD-CG 3.34Å; M79-M194 WeakPolarHBondContact SD-CG 3.14Å; M79-M194 PolarHBondContact SD-N 3.32Å; V190-M194 HydrophobicContact CG1-CE 4.03Å; V190-M194 HydrophobicContact CG1-CG 4.49Å; V190-M194 HydrophobicContact CG1-SD 4.45Å; V190-M194 WeakPolarHBondContact O-CB 3.49Å; V190-M194 WeakPolarHBondContact O-CG 3.43Å; V190-M194 PolarHBondContact O-N 2.86Å; W191-M194 HydrophobicContact CB-CE 4.46Å; W191-M194 PolarHBondContact O-N 2.87Å; M194-N198 PolarHBondContact O-N 3.4Å; M194-N198 PolarHBondContact O-ND2 2.91Å
195R93.4Very high89.2Confident80 Ų8069.1 Ų69.130%0.30234%0.335SS..Hα-helixtrans-62.8-49177.8-176.4-174.6-179156.812.4111.6G4 W191 L192 R197 N198 Q199G4-R195 VanDerWaalsContact CA-CZ 3.49Å; G4-R195 PolarHBondContact O-NH2 3.35Å; W191-R195 WeakPolarHBondContact O-CB 3.44Å; W191-R195 PolarHBondContact O-N 3.42Å; L192-R195 PolarHBondContact O-N 3.4Å; R195-R197 PolarHBondContact O-N 2.01Å; R195-N198 PolarHBondContact O-N 3.02Å; R195-Q199 WeakPolarHBondContact O-CG 3.37Å; R195-Q199 PolarHBondContact O-N 3.09Å
196F93.5Very high87.6Confident0 Ų072.5 Ų72.50%036%0.357CS..Hα-helixtrans-60.9-45.3-177.2-179.1-121.3000111.5F6 K10 L13 H70 L75 L192 A193 N198 Q199F6-F196 HydrophobicContact CD1-CE2 4.41Å; F6-F196 HydrophobicContact CD2-CD2 4.24Å; F6-F196 AromaticContact CD2-CE2 3.8Å; F6-F196 HydrophobicContact CD2-CE2 3.8Å; F6-F196 HydrophobicContact CE1-CE2 4.18Å; F6-F196 HydrophobicContact CE2-CD2 4.26Å; F6-F196 AromaticContact CE2-CE2 3.55Å; F6-F196 HydrophobicContact CE2-CE2 3.55Å; F6-F196 HydrophobicContact CE2-CZ 4.11Å; F6-F196 HydrophobicContact CG-CE2 4.24Å; F6-F196 AromaticContact CZ-CE2 3.75Å; F6-F196 HydrophobicContact CZ-CE2 3.75Å; F6-F196 HydrophobicContact CZ-CZ 4.01Å; K10-F196 HydrophobicContact CB-CD2 4.37Å; K10-F196 HydrophobicContact CB-CE2 3.56Å; K10-F196 HydrophobicContact CB-CZ 3.79Å; K10-F196 HydrophobicContact CD-CZ 4.25Å; K10-F196 HydrophobicContact CG-CE2 4.18Å; K10-F196 HydrophobicContact CG-CZ 3.89Å; L13-F196 HydrophobicContact CD2-CD1 3.97Å; H70-F196 AromaticContact CD2-CE1 3.62Å; H70-F196 AromaticContact CD2-CE2 3.93Å; H70-F196 AromaticContact CD2-CZ 3.47Å; H70-F196 VanDerWaalsContact CD2-CZ 3.47Å; H70-F196 WeakPolarHBondContact CD2-CZ 3.29Å; L75-F196 HydrophobicContact CD1-CD1 3.79Å; L75-F196 HydrophobicContact CD1-CE1 3.96Å; L192-F196 WeakPolarHBondContact O-CB 3.34Å; L192-F196 PolarHBondContact O-N 3.04Å; A193-F196 PolarHBondContact O-N 2.96Å; F196-N198 PolarHBondContact O-N 2.93Å; F196-Q199 WeakPolarHBondContact O-CB 3.39Å; F196-Q199 PolarHBondContact O-N 3.3Å; F196-Q199 VanDerWaalsContact O-N 3.07Å
197R92.1Very high86.2Confident79 Ų7975.6 Ų75.630%0.29838%0.379SS..Hα-helixtrans-59.9-32.2177-178.7-178.2172.3-164.22.3113.1A193 R195 Q199A193-R197 VanDerWaalsContact O-CB 3.25Å; A193-R197 WeakPolarHBondContact O-CB 3.3Å; A193-R197 PolarHBondContact O-N 3.29Å; R195-R197 PolarHBondContact O-N 2.01Å; R197-Q199 VanDerWaalsContact C-N 3.33Å
198N90.6Very high84.4Confident137 Ų13775.9 Ų75.973%0.73339%0.392SS*.THydrogen-bonded Turntrans-85.3-2.4179.7-69.8-22.7000113.5M194 R195 F196M194-N198 PolarHBondContact O-N 3.4Å; M194-N198 PolarHBondContact O-ND2 2.91Å; R195-N198 PolarHBondContact O-N 3.02Å; F196-N198 PolarHBondContact O-N 2.93Å
199Q89Confident82.8Confident37 Ų3779.1 Ų79.117%0.17340%0.402CS..SBendtrans-89.1141.2174.9-71.5167.2-19.900110.5G4 F6 R195 F196 R197G4-Q199 PolarHBondContact O-NE2 2.99Å; F6-Q199 VanDerWaalsContact CA-OE1 3.31Å; F6-Q199 HydrophobicContact CD2-CB 3.91Å; R195-Q199 WeakPolarHBondContact O-CG 3.37Å; R195-Q199 PolarHBondContact O-N 3.09Å; F196-Q199 WeakPolarHBondContact O-CB 3.39Å; F196-Q199 PolarHBondContact O-N 3.3Å; F196-Q199 VanDerWaalsContact O-N 3.07Å; R197-Q199 VanDerWaalsContact C-N 3.33Å
200K82.5Confident80.7Confident152 Ų15289.3 Ų89.366%0.66146%0.456SS*.PPolyproline II helixtrans-77.1131.1173-165170.7-175.7177.90109.1P202K200-P202 VanDerWaalsContact O-CD 3.3Å; K200-P202 WeakPolarHBondContact O-CD 2.9Å
201D79.6Confident79.8Confident42 Ų4292.9 Ų92.923%0.22547%0.473CS..PPolyproline II helixtrans-63.9118.3173.3-172.6-13.1000109F6 R203 A204F6-D201 HydrophobicContact CE2-CB 4.04Å; F6-D201 HydrophobicContact CZ-CB 3.87Å; D201-R203 PolarHBondContact O-N 3.37Å; D201-R203 VanDerWaalsContact O-N 3.16Å; D201-R203 WeakPolarHBondContact OD1-CB 3.35Å; D201-R203 PolarHBondContact OD1-N 3.46Å; D201-A204 HydrophobicContact CB-CB 4.32Å; D201-A204 WeakPolarHBondContact O-CB 3.38Å; D201-A204 PolarHBondContact O-N 3.31Å; D201-A204 VanDerWaalsContact O-N 3.08Å
202P79Confident79Confident102 Ų10290.9 Ų90.966%0.66247%0.472SS*.THydrogen-bonded Turntrans-63.9-15.8177.426.9-35.3000113.2F6 K200F6-P202 HydrophobicContact CD1-CG 4.16Å; F6-P202 HydrophobicContact CG-CG 4.45Å; K200-P202 VanDerWaalsContact O-CD 3.3Å; K200-P202 WeakPolarHBondContact O-CD 2.9Å
203R76.2Confident78.1Confident208 Ų20894.3 Ų94.379%0.78549%0.49SS*.THydrogen-bonded Turntrans-85.5-14.4175.2-60.4-179.9-179.6179.5-1.2113.5D201 N205D201-R203 PolarHBondContact O-N 3.37Å; D201-R203 VanDerWaalsContact O-N 3.16Å; D201-R203 WeakPolarHBondContact OD1-CB 3.35Å; D201-R203 PolarHBondContact OD1-N 3.46Å; R203-N205 PolarHBondContact O-N 3.1Å
204A72.4Confident77Confident47 Ų4799.9 Ų99.939%0.38852%0.518SS..SBendtrans-64.5108.7174.100000107.8D201 P206D201-A204 HydrophobicContact CB-CB 4.32Å; D201-A204 WeakPolarHBondContact O-CB 3.38Å; D201-A204 PolarHBondContact O-N 3.31Å; D201-A204 VanDerWaalsContact O-N 3.08Å; A204-P206 WeakPolarHBondContact O-CD 2.96Å; A204-P206 VanDerWaalsContact O-N 3.11Å
205N64.5Low75.9Confident98 Ų98100.8 Ų100.852%0.52452%0.524SS..  trans-53.7117.6-176.3-170.50.8000109.3R203 S207 A208R203-N205 PolarHBondContact O-N 3.1Å; N205-S207 PolarHBondContact O-N 3.11Å; N205-S207 VanDerWaalsContact O-N 3.11Å; N205-S207 PolarHBondContact OD1-N 3.31Å; N205-S207 PolarHBondContact OD1-OG 2.76Å; N205-A208 PolarHBondContact O-N 3.03Å; N205-A208 VanDerWaalsContact O-N 3.1Å
206P63.4Low74.8Confident98 Ų98102.1 Ų102.164%0.63654%0.539SS*.G310 helixtrans-58.9-2517921.7-31.5000112.1A204 A208A204-P206 WeakPolarHBondContact O-CD 2.96Å; A204-P206 VanDerWaalsContact O-N 3.11Å; P206-A208 VanDerWaalsContact C-N 3.26Å; P206-A208 PolarHBondContact O-N 3.01Å
207S66.7Low73.4Confident70 Ų70109.4 Ų109.449%0.4958%0.578SS.*G310 helixtrans-71.2-9.6178.4-35.90000115N205 F209 L210N205-S207 PolarHBondContact O-N 3.11Å; N205-S207 VanDerWaalsContact O-N 3.11Å; N205-S207 PolarHBondContact OD1-N 3.31Å; N205-S207 PolarHBondContact OD1-OG 2.76Å; S207-F209 PolarHBondContact O-N 3.08Å; S207-L210 PolarHBondContact O-N 3.16Å
208A59.4Low72Confident78 Ų78111.8 Ų111.865%0.64560%0.599SS**G310 helixtrans-78-4.5179.700000113.9N205 P206N205-A208 PolarHBondContact O-N 3.03Å; N205-A208 VanDerWaalsContact O-N 3.1Å; P206-A208 VanDerWaalsContact C-N 3.26Å; P206-A208 PolarHBondContact O-N 3.01Å
209F61.4Low70.4Confident169 Ų169109.7 Ų109.774%0.74159%0.588SS**G310 helixtrans-102.72.3174.7-69.9-79.5000113.5S207S207-F209 PolarHBondContact O-N 3.08Å
210L51.2Low68.8Low215 Ų215116.3 Ų116.3100%1.12663%0.626SS**  trans-105.70168.8-67.5174.3000108.7S207S207-L210 PolarHBondContact O-N 3.16Å

Retrieved 210 of 210 residues in 52.1 ms (Link to these results)

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