A0A673VX22_SALTR Loading...

Modulator of smoothened

AlphaFold DB , UniProt , Accession A0A673VX22, Species SALTR (Salmo trutta, Brown trout), Gene MOSMO, Length 170 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
1M62.4Low85.4Confident109 Ų10964.6 Ų64.654%0.53735%0.347SS..  0141.20-122.7161.261.400108.4T5 V6 H93M1-T5 HydrophobicContact CE-CG2 4.02Å; M1-T5 HydrophobicContact CG-CG2 3.88Å; M1-T5 HydrophobicContact SD-CG2 4.09Å; M1-V6 HydrophobicContact CB-CG2 4.47Å; M1-V6 HydrophobicContact CE-CB 4.42Å; M1-V6 HydrophobicContact CE-CG2 3.57Å; M1-H93 VanDerWaalsContact CE-NE2 3.31Å; M1-H93 WeakPolarHBondContact CE-NE2 3.44Å; M1-H93 VanDerWaalsContact SD-CD2 3.59Å; M1-H93 PolarHBondContact SD-NE2 3.28Å; M1-H93 VanDerWaalsContact SD-NE2 3.41Å
2D78.3Confident86.2Confident84 Ų8459.4 Ų59.445%0.44932%0.319SS..  trans-67.8145.5174.3-58.4-42.4000109.2L4 T5 V6 K165D2-L4 PolarHBondContact O-N 3.26Å; D2-T5 WeakPolarHBondContact O-CB 3.48Å; D2-T5 PolarHBondContact O-N 3.26Å; D2-V6 PolarHBondContact O-N 2.89Å; D2-K165 IonicContact OD2-NZ 2.74Å; D2-K165 PolarHBondContact OD2-NZ 2.79Å
3K83.4Confident86.9Confident182 Ų18261.8 Ų61.879%0.79133%0.331SS*.Hα-helixtrans-52.2-33.4177.4-67.8-179.5-179.6179.60112V6 I7K3-V6 PolarHBondContact O-N 3.37Å; K3-I7 VanDerWaalsContact O-CG1 3.3Å; K3-I7 WeakPolarHBondContact O-CG1 3.33Å; K3-I7 PolarHBondContact O-N 2.98Å
4L83.6Confident87.6Confident45 Ų4559.4 Ų59.424%0.23632%0.324CS..Hα-helixtrans-65.5-37177.3-59.6162.8000113D2 V6 I7 S8 F162 L168D2-L4 PolarHBondContact O-N 3.26Å; L4-V6 VanDerWaalsContact C-N 3.34Å; L4-I7 PolarHBondContact O-N 3.27Å; L4-S8 PolarHBondContact O-N 3.18Å; L4-S8 PolarHBondContact O-OG 3.41Å; L4-F162 HydrophobicContact CD2-CD1 3.98Å; L4-F162 HydrophobicContact CD2-CE1 4.46Å; L4-L168 HydrophobicContact CD1-CD1 3.21Å; L4-L168 HydrophobicContact CG-CD1 4.46Å
5T83.4Confident88.2Confident13 Ų1355.5 Ų55.58%0.0830%0.303CS..Hα-helixtrans-68.6-37.7178-52.30000110.9M1 D2 S8 G9 L89M1-T5 HydrophobicContact CE-CG2 4.02Å; M1-T5 HydrophobicContact CG-CG2 3.88Å; M1-T5 HydrophobicContact SD-CG2 4.09Å; D2-T5 WeakPolarHBondContact O-CB 3.48Å; D2-T5 PolarHBondContact O-N 3.26Å; T5-S8 WeakPolarHBondContact CA-OG 3.3Å; T5-S8 PolarHBondContact O-N 3.38Å; T5-S8 PolarHBondContact O-OG 3Å; T5-G9 PolarHBondContact O-N 2.65Å; T5-L89 HydrophobicContact CG2-CD2 4.27Å
6V86.8Confident88.7Confident71 Ų7152.8 Ų52.843%0.4329%0.288SS..Hα-helixtrans-63.1-48.6173.5179.30000110.1M1 D2 K3 L4 S8 G9 C10M1-V6 HydrophobicContact CB-CG2 4.47Å; M1-V6 HydrophobicContact CE-CB 4.42Å; M1-V6 HydrophobicContact CE-CG2 3.57Å; D2-V6 PolarHBondContact O-N 2.89Å; K3-V6 PolarHBondContact O-N 3.37Å; L4-V6 VanDerWaalsContact C-N 3.34Å; V6-S8 PolarHBondContact O-N 3.18Å; V6-G9 PolarHBondContact O-N 3.14Å; V6-G9 VanDerWaalsContact O-N 3.13Å; V6-C10 PolarHBondContact O-N 3.49Å; V6-C10 PolarHBondContact O-SG 3.13Å; V6-C10 VanDerWaalsContact O-SG 3.38Å
7I90.2Very high89.2Confident78 Ų7855.3 Ų55.340%0.430%0.3SS..Hα-helixtrans-58.1-47.8177.1-66.9164.3000110.5K3 L4 G9 C10 L11 F162K3-I7 VanDerWaalsContact O-CG1 3.3Å; K3-I7 WeakPolarHBondContact O-CG1 3.33Å; K3-I7 PolarHBondContact O-N 2.98Å; L4-I7 PolarHBondContact O-N 3.27Å; I7-G9 VanDerWaalsContact C-N 3.3Å; I7-G9 PolarHBondContact O-N 3.38Å; I7-C10 PolarHBondContact O-N 2.97Å; I7-L11 HydrophobicContact CG2-CD1 3.87Å; I7-L11 HydrophobicContact CG2-CG 4.43Å; I7-L11 VanDerWaalsContact O-CG 3.27Å; I7-L11 WeakPolarHBondContact O-CG 3.44Å; I7-L11 PolarHBondContact O-N 3.43Å; I7-F162 HydrophobicContact CG2-CD2 4.31Å
8S90.4Very high89.6Confident1 Ų155.6 Ų55.61%0.00730%0.298CS..Hα-helixtrans-60.5-39176.863.20000112.5L4 T5 V6 L11 F12 G159L4-S8 PolarHBondContact O-N 3.18Å; L4-S8 PolarHBondContact O-OG 3.41Å; T5-S8 WeakPolarHBondContact CA-OG 3.3Å; T5-S8 PolarHBondContact O-N 3.38Å; T5-S8 PolarHBondContact O-OG 3Å; V6-S8 PolarHBondContact O-N 3.18Å; S8-L11 PolarHBondContact O-N 3.38Å; S8-F12 WeakPolarHBondContact O-CD2 3.42Å; S8-F12 WeakPolarHBondContact O-CG 3.31Å; S8-F12 PolarHBondContact O-N 3.39Å; S8-G159 WeakPolarHBondContact CB-O 3.39Å
9G91.3Very high89.8Confident20 Ų2052.6 Ų52.621%0.20628%0.282CS..Hα-helixtrans-62.8-44.5176.700000112.4T5 V6 I7 L11 F12 L13T5-G9 PolarHBondContact O-N 2.65Å; V6-G9 PolarHBondContact O-N 3.14Å; V6-G9 VanDerWaalsContact O-N 3.13Å; I7-G9 VanDerWaalsContact C-N 3.3Å; I7-G9 PolarHBondContact O-N 3.38Å; G9-L11 VanDerWaalsContact C-N 3.31Å; G9-L11 PolarHBondContact O-N 3.35Å; G9-F12 PolarHBondContact O-N 3.05Å; G9-L13 WeakPolarHBondContact O-CB 3.34Å; G9-L13 PolarHBondContact O-N 2.9Å
10C93.9Very high90.1Very high79 Ų7953.8 Ų53.853%0.53429%0.287SS..Hα-helixtrans-62.1-39.5174.8-64.30000112.1V6 I7 L13 A14V6-C10 PolarHBondContact O-N 3.49Å; V6-C10 PolarHBondContact O-SG 3.13Å; V6-C10 VanDerWaalsContact O-SG 3.38Å; I7-C10 PolarHBondContact O-N 2.97Å; C10-L13 PolarHBondContact O-N 2.95Å; C10-A14 WeakPolarHBondContact O-CB 3.33Å; C10-A14 PolarHBondContact O-N 3.47Å
11L95.2Very high90.2Very high29 Ų2952.5 Ų52.515%0.15228%0.284CS..Hα-helixtrans-66.4-42.7177.8-67.1166000111.8I7 S8 G9 A14 A15 F155 V158 F162I7-L11 HydrophobicContact CG2-CD1 3.87Å; I7-L11 HydrophobicContact CG2-CG 4.43Å; I7-L11 VanDerWaalsContact O-CG 3.27Å; I7-L11 WeakPolarHBondContact O-CG 3.44Å; I7-L11 PolarHBondContact O-N 3.43Å; S8-L11 PolarHBondContact O-N 3.38Å; G9-L11 VanDerWaalsContact C-N 3.31Å; G9-L11 PolarHBondContact O-N 3.35Å; L11-A14 PolarHBondContact O-N 3.47Å; L11-A15 WeakPolarHBondContact O-CB 3.35Å; L11-A15 PolarHBondContact O-N 3.05Å; L11-F155 HydrophobicContact CD2-CD1 3.6Å; L11-F155 HydrophobicContact CD2-CE1 4.06Å; L11-V158 HydrophobicContact CD1-CG1 3.88Å; L11-F162 HydrophobicContact CD1-CD2 3.66Å; L11-F162 HydrophobicContact CD1-CE2 4.13Å
12F95.3Very high91.6Very high2 Ų247.3 Ų47.31%0.00926%0.259CS..Hα-helixtrans-65.2-38.8175-69.4-52.3000112.4S8 G9 A15 D16 L82 T85 L89 A106 T156 L160 A163S8-F12 WeakPolarHBondContact O-CD2 3.42Å; S8-F12 WeakPolarHBondContact O-CG 3.31Å; S8-F12 PolarHBondContact O-N 3.39Å; G9-F12 PolarHBondContact O-N 3.05Å; F12-A15 WeakPolarHBondContact O-CB 3.07Å; F12-A15 PolarHBondContact O-N 3.46Å; F12-D16 WeakPolarHBondContact O-CB 3.41Å; F12-D16 PolarHBondContact O-N 3.32Å; F12-L82 HydrophobicContact CD1-CD2 4.15Å; F12-T85 HydrophobicContact CD2-CG2 3.95Å; F12-T85 HydrophobicContact CE2-CG2 4.23Å; F12-T85 HydrophobicContact CG-CG2 4.14Å; F12-L89 HydrophobicContact CD2-CD1 3.61Å; F12-L89 HydrophobicContact CE2-CD1 4.16Å; F12-A106 HydrophobicContact CE1-CB 3.79Å; F12-A106 HydrophobicContact CE2-CB 4.43Å; F12-A106 HydrophobicContact CZ-CB 3.73Å; F12-T156 HydrophobicContact CD1-CG2 4.5Å; F12-T156 HydrophobicContact CE1-CG2 4.23Å; F12-T156 WeakPolarHBondContact CE1-O 3.33Å; F12-L160 HydrophobicContact CE1-CG 3.98Å; F12-L160 HydrophobicContact CZ-CB 4.43Å; F12-L160 HydrophobicContact CZ-CD2 4.17Å; F12-L160 HydrophobicContact CZ-CG 3.87Å; F12-A163 HydrophobicContact CE2-CB 4.17Å; F12-A163 HydrophobicContact CZ-CB 4.4Å
13L95.8Very high92.1Very high91 Ų9145.4 Ų45.448%0.47625%0.248SC..Hα-helixtrans-64.2-43.5175.4-175.466.9000111.5G9 C10 A15 D16 I17G9-L13 WeakPolarHBondContact O-CB 3.34Å; G9-L13 PolarHBondContact O-N 2.9Å; C10-L13 PolarHBondContact O-N 2.95Å; L13-A15 VanDerWaalsContact C-N 3.33Å; L13-D16 PolarHBondContact O-N 3.31Å; L13-I17 HydrophobicContact CG-CD1 4.23Å; L13-I17 WeakPolarHBondContact O-CG1 3.01Å; L13-I17 PolarHBondContact O-N 3.07Å
14A96.8Very high92.3Very high28 Ų2840.2 Ų40.223%0.23124%0.239CC..Hα-helixtrans-61.9-43174.600000111.3C10 L11 D16 I17 F18C10-A14 WeakPolarHBondContact O-CB 3.33Å; C10-A14 PolarHBondContact O-N 3.47Å; L11-A14 PolarHBondContact O-N 3.47Å; A14-D16 VanDerWaalsContact C-N 3.32Å; A14-D16 PolarHBondContact O-N 3.27Å; A14-I17 PolarHBondContact O-N 3.39Å; A14-F18 HydrophobicContact CB-CE2 4.2Å; A14-F18 WeakPolarHBondContact O-CD2 3.39Å; A14-F18 WeakPolarHBondContact O-CG 3.34Å; A14-F18 PolarHBondContact O-N 2.87Å
15A96.8Very high92.2Very high0 Ų041.5 Ų41.50%025%0.246CC..Hα-helixtrans-59.4-42.5175.300000112.2L11 F12 L13 F18 A19 L82 S152 F155 T156L11-A15 WeakPolarHBondContact O-CB 3.35Å; L11-A15 PolarHBondContact O-N 3.05Å; F12-A15 WeakPolarHBondContact O-CB 3.07Å; F12-A15 PolarHBondContact O-N 3.46Å; L13-A15 VanDerWaalsContact C-N 3.33Å; A15-F18 PolarHBondContact O-N 3.24Å; A15-A19 WeakPolarHBondContact O-CB 3.34Å; A15-A19 PolarHBondContact O-N 3.27Å; A15-L82 HydrophobicContact CB-CD1 4.04Å; A15-S152 WeakPolarHBondContact CB-O 3.34Å; A15-S152 VanDerWaalsContact O-CB 3.28Å; A15-S152 WeakPolarHBondContact O-CB 3.45Å; A15-S152 PolarHBondContact O-OG 3.28Å; A15-F155 HydrophobicContact CB-CB 3.84Å; A15-T156 WeakPolarHBondContact CB-OG1 3.44Å
16D96.3Very high91.8Very high13 Ų1342.7 Ų42.77%0.0725%0.254CS..Hα-helixtrans-63.6-47.1179.1-160.836.4000111.1F12 L13 A14 F18 A19 I20 L82 T83F12-D16 WeakPolarHBondContact O-CB 3.41Å; F12-D16 PolarHBondContact O-N 3.32Å; L13-D16 PolarHBondContact O-N 3.31Å; A14-D16 VanDerWaalsContact C-N 3.32Å; A14-D16 PolarHBondContact O-N 3.27Å; D16-F18 VanDerWaalsContact C-N 3.35Å; D16-F18 PolarHBondContact O-N 3Å; D16-A19 PolarHBondContact O-N 3.32Å; D16-I20 VanDerWaalsContact O-CG1 3.29Å; D16-I20 WeakPolarHBondContact O-CG1 3.46Å; D16-I20 PolarHBondContact O-N 2.84Å; D16-L82 HydrophobicContact CB-CB 4.09Å; D16-L82 WeakPolarHBondContact OD1-CB 3.27Å; D16-T83 PolarHBondContact OD1-OG1 2.93Å; D16-T83 PolarHBondContact OD2-OG1 2.06Å
17I96.3Very high91.7Very high95 Ų9541 Ų4149%0.48724%0.243SC..Hα-helixtrans-59.4-45.2177-67.1166.7000111L13 A14 I20 A21L13-I17 HydrophobicContact CG-CD1 4.23Å; L13-I17 WeakPolarHBondContact O-CG1 3.01Å; L13-I17 PolarHBondContact O-N 3.07Å; A14-I17 PolarHBondContact O-N 3.39Å; I17-I20 PolarHBondContact O-N 3.04Å; I17-A21 VanDerWaalsContact O-CB 3.25Å; I17-A21 WeakPolarHBondContact O-CB 3.27Å; I17-A21 PolarHBondContact O-N 2.99Å
18F96.4Very high91.5Very high60 Ų6037.3 Ų37.326%0.26322%0.224SC..Hα-helixtrans-67.9-35.5179.3-66.8-41.5000113.1A14 A15 D16 A21 S22 L148 L151 F155A14-F18 HydrophobicContact CB-CE2 4.2Å; A14-F18 WeakPolarHBondContact O-CD2 3.39Å; A14-F18 WeakPolarHBondContact O-CG 3.34Å; A14-F18 PolarHBondContact O-N 2.87Å; A15-F18 PolarHBondContact O-N 3.24Å; D16-F18 VanDerWaalsContact C-N 3.35Å; D16-F18 PolarHBondContact O-N 3Å; F18-A21 PolarHBondContact O-N 3.44Å; F18-S22 WeakPolarHBondContact O-CB 3.43Å; F18-S22 PolarHBondContact O-N 2.94Å; F18-L148 WeakPolarHBondContact CB-O 3.38Å; F18-L148 HydrophobicContact CD1-CD2 3.88Å; F18-L148 HydrophobicContact CE1-CD2 4.32Å; F18-L151 HydrophobicContact CD2-CB 4.4Å; F18-F155 AromaticContact CD2-CD2 3.64Å; F18-F155 HydrophobicContact CD2-CD2 3.64Å; F18-F155 AromaticContact CD2-CE2 3.84Å; F18-F155 HydrophobicContact CD2-CE2 3.84Å; F18-F155 AromaticContact CE2-CD2 3.57Å; F18-F155 HydrophobicContact CE2-CD2 3.57Å; F18-F155 AromaticContact CE2-CE2 3.31Å; F18-F155 HydrophobicContact CE2-CE2 3.31Å; F18-F155 HydrophobicContact CE2-CZ 4.28Å; F18-F155 HydrophobicContact CZ-CE2 4.33Å
19A94.3Very high91.2Very high0 Ų037.3 Ų37.30%022%0.224CC..Hα-helixtrans-67.2-40.6174.100000112A15 D16 S22 I23 I79 S152A15-A19 WeakPolarHBondContact O-CB 3.34Å; A15-A19 PolarHBondContact O-N 3.27Å; D16-A19 PolarHBondContact O-N 3.32Å; A19-S22 PolarHBondContact O-N 3.29Å; A19-S22 PolarHBondContact O-OG 2.87Å; A19-I23 PolarHBondContact O-N 2.89Å; A19-I79 HydrophobicContact CB-CD1 4.1Å; A19-I79 HydrophobicContact CB-CG1 3.57Å; A19-S152 WeakPolarHBondContact CB-OG 3.33Å
20I94.3Very high90.6Very high75 Ų7538 Ų3839%0.38522%0.222SC..Hα-helixtrans-66.4-43.5175.3-66.3165.1000110.3D16 I17 S22 I23 A24 I79D16-I20 VanDerWaalsContact O-CG1 3.29Å; D16-I20 WeakPolarHBondContact O-CG1 3.46Å; D16-I20 PolarHBondContact O-N 2.84Å; I17-I20 PolarHBondContact O-N 3.04Å; I20-S22 VanDerWaalsContact C-N 3.31Å; I20-S22 PolarHBondContact O-N 3.43Å; I20-I23 WeakPolarHBondContact O-CG1 3.39Å; I20-I23 PolarHBondContact O-N 3.27Å; I20-A24 WeakPolarHBondContact O-CB 3.33Å; I20-A24 PolarHBondContact O-N 2.89Å; I20-I79 HydrophobicContact CD1-CG2 4.18Å; I20-I79 HydrophobicContact CG1-CD1 4.2Å; I20-I79 HydrophobicContact CG1-CG1 4.41Å; I20-I79 HydrophobicContact CG1-CG2 3.75Å
21A92.7Very high89.4Confident28 Ų2835.1 Ų35.123%0.23120%0.203CC..Hα-helixtrans-64.2-35.8178.300000112.3I17 F18 A24 N25 L148I17-A21 VanDerWaalsContact O-CB 3.25Å; I17-A21 WeakPolarHBondContact O-CB 3.27Å; I17-A21 PolarHBondContact O-N 2.99Å; F18-A21 PolarHBondContact O-N 3.44Å; A21-A24 PolarHBondContact O-N 3.37Å; A21-N25 WeakPolarHBondContact O-CB 3.31Å; A21-N25 PolarHBondContact O-N 2.92Å; A21-N25 VanDerWaalsContact O-N 3.11Å; A21-N25 PolarHBondContact O-ND2 3.38Å; A21-L148 HydrophobicContact CB-CD1 4.04Å
22S92.3Very high87.6Confident0 Ų035.2 Ų35.20%021%0.21CC..Hα-helixtrans-64.7-41.8177.3720000111.7F18 A19 I20 N25 W28 S145F18-S22 WeakPolarHBondContact O-CB 3.43Å; F18-S22 PolarHBondContact O-N 2.94Å; A19-S22 PolarHBondContact O-N 3.29Å; A19-S22 PolarHBondContact O-OG 2.87Å; I20-S22 VanDerWaalsContact C-N 3.31Å; I20-S22 PolarHBondContact O-N 3.43Å; S22-N25 VanDerWaalsContact O-O 3.06Å; S22-W28 PolarHBondContact O-NE1 2.86Å; S22-S145 WeakPolarHBondContact CB-O 3.42Å; S22-S145 WeakPolarHBondContact O-CB 3.21Å; S22-S145 PolarHBondContact O-OG 2.96Å
23I89.5Confident85.4Confident44 Ų4438.5 Ų38.523%0.22623%0.228CC..Hα-helixtrans-75.2-29.1177.962.8166.9000113.2A19 I20 L72 I75 I79A19-I23 PolarHBondContact O-N 2.89Å; I20-I23 WeakPolarHBondContact O-CG1 3.39Å; I20-I23 PolarHBondContact O-N 3.27Å; I23-L72 HydrophobicContact CG2-CD1 4.37Å; I23-I75 HydrophobicContact CG2-CB 4.48Å; I23-I75 HydrophobicContact CG2-CG2 3.54Å; I23-I79 HydrophobicContact CD1-CD1 3.59Å; I23-I79 HydrophobicContact CG1-CD1 4.16Å; I23-I79 HydrophobicContact CG2-CD1 4.42Å
24A86.4Confident83.1Confident73 Ų7338.6 Ų38.660%0.60324%0.242SC*.Hα-helixtrans-72.3-32.5179.700000112.1I20 A21I20-A24 WeakPolarHBondContact O-CB 3.33Å; I20-A24 PolarHBondContact O-N 2.89Å; A21-A24 PolarHBondContact O-N 3.37Å
25N81.1Confident80.5Confident72 Ų7243 Ų4339%0.38527%0.266SS..SBendtrans-90.6127.7179.2-72.9-33.7000110.9A21 S22 D27 S145A21-N25 WeakPolarHBondContact O-CB 3.31Å; A21-N25 PolarHBondContact O-N 2.92Å; A21-N25 VanDerWaalsContact O-N 3.11Å; A21-N25 PolarHBondContact O-ND2 3.38Å; S22-N25 VanDerWaalsContact O-O 3.06Å; N25-D27 PolarHBondContact O-N 3.44Å; N25-D27 VanDerWaalsContact O-N 3.16Å; N25-S145 WeakPolarHBondContact CB-OG 3.38Å; N25-S145 PolarHBondContact O-OG 3.27Å
26P75.5Confident78Confident37 Ų3746.4 Ų46.424%0.2430%0.301CS..  trans-751.4-18031.8-35.7000113.8W28 V43 G44 R47P26-W28 VanDerWaalsContact C-N 3.33Å; P26-W28 PolarHBondContact O-N 3Å; P26-V43 CarbonylContact O-C 3.55Å; P26-V43 VanDerWaalsContact O-O 3.05Å; P26-G44 WeakPolarHBondContact O-CA 3.08Å; P26-G44 PolarHBondContact O-N 3.26Å; P26-R47 WeakPolarHBondContact CB-O 3.46Å
27D84.3Confident75.3Confident36 Ų3653.6 Ų53.619%0.19333%0.332CS..  trans-85.860.6-173.5-176.626.8000112.7N25 N30 G143 S144 S145N25-D27 PolarHBondContact O-N 3.44Å; N25-D27 VanDerWaalsContact O-N 3.16Å; D27-N30 PolarHBondContact OD1-ND2 2.81Å; D27-N30 PolarHBondContact OD1-OD1 3.22Å; D27-G143 CarbonylContact O-C 3.57Å; D27-G143 WeakPolarHBondContact O-CA 3.35Å; D27-G143 VanDerWaalsContact OD1-CA 3.31Å; D27-G143 WeakPolarHBondContact OD1-CA 3.25Å; D27-S144 PolarHBondContact O-N 2.92Å; D27-S144 VanDerWaalsContact O-N 3.16Å; D27-S144 VanDerWaalsContact OD2-CB 3.27Å; D27-S144 WeakPolarHBondContact OD2-CB 3.29Å; D27-S144 PolarHBondContact OD2-N 3.3Å; D27-S144 PolarHBondContact OD2-OG 2.97Å; D27-S145 PolarHBondContact N-OG 3.37Å; D27-S145 WeakPolarHBondContact O-CB 3.46Å; D27-S145 PolarHBondContact O-N 3.24Å; D27-S145 PolarHBondContact O-OG 3.3Å
28W85.9Confident72.9Confident1 Ų155.1 Ų55.10%0.00434%0.341CS..SBendtrans-89.3-41.4176.2-77.670.7000112.7S22 P26 V43 L45 I75 F120 G143 Y146 F149S22-W28 PolarHBondContact O-NE1 2.86Å; P26-W28 VanDerWaalsContact C-N 3.33Å; P26-W28 PolarHBondContact O-N 3Å; W28-V43 VanDerWaalsContact CB-O 3.29Å; W28-V43 WeakPolarHBondContact CB-O 3.34Å; W28-V43 PolarHBondContact N-O 3.15Å; W28-L45 HydrophobicContact CB-CD1 4.09Å; W28-L45 HydrophobicContact CD2-CD1 3.29Å; W28-L45 HydrophobicContact CE3-CD1 3.57Å; W28-L45 HydrophobicContact CG-CD1 3.53Å; W28-L45 HydrophobicContact CH2-CD1 4.48Å; W28-L45 HydrophobicContact CH2-CD2 4.38Å; W28-L45 HydrophobicContact CZ2-CD1 4.27Å; W28-L45 HydrophobicContact CZ2-CD2 4.36Å; W28-L45 HydrophobicContact CZ3-CD1 4.15Å; W28-I75 HydrophobicContact CH2-CD1 3.48Å; W28-I75 VanDerWaalsContact CH2-CD1 3.48Å; W28-I75 HydrophobicContact CZ2-CD1 4.03Å; W28-I75 HydrophobicContact CZ3-CD1 4.33Å; W28-F120 HydrophobicContact CB-CZ 4.25Å; W28-F120 HydrophobicContact CE3-CD2 4.17Å; W28-F120 HydrophobicContact CE3-CE1 4.18Å; W28-F120 AromaticContact CE3-CE2 3.73Å; W28-F120 HydrophobicContact CE3-CE2 3.73Å; W28-F120 AromaticContact CE3-CZ 3.72Å; W28-F120 HydrophobicContact CE3-CZ 3.72Å; W28-F120 HydrophobicContact CZ3-CD2 4.36Å; W28-F120 HydrophobicContact CZ3-CE2 4.36Å; W28-G143 PolarHBondContact O-N 3.46Å; W28-Y146 AromaticContact CE3-CD2 3.9Å; W28-Y146 HydrophobicContact CE3-CD2 3.9Å; W28-Y146 AromaticContact CZ3-CD2 3.85Å; W28-Y146 HydrophobicContact CZ3-CD2 3.85Å; W28-F149 HydrophobicContact CH2-CB 3.68Å; W28-F149 AromaticContact CH2-CD1 3.82Å; W28-F149 HydrophobicContact CH2-CD1 3.82Å; W28-F149 HydrophobicContact CH2-CD2 4.16Å; W28-F149 HydrophobicContact CH2-CE1 4.48Å; W28-F149 AromaticContact CH2-CG 3.61Å; W28-F149 HydrophobicContact CH2-CG 3.61Å; W28-F149 HydrophobicContact CZ2-CB 4.29Å; W28-F149 HydrophobicContact CZ3-CB 4.23Å; W28-F149 AromaticContact CZ3-CD1 3.89Å; W28-F149 HydrophobicContact CZ3-CD1 3.89Å; W28-F149 HydrophobicContact CZ3-CG 4.15Å
29I84.1Confident70.7Confident1 Ų153.2 Ų53.21%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-133.5131.7175.6-54.7177000108.6V43 W68 F120 F124 V129 L136 T140I29-V43 HydrophobicContact CB-CB 4.23Å; I29-V43 PolarHBondContact N-O 3.16Å; I29-V43 PolarHBondContact O-N 2.75Å; I29-W68 HydrophobicContact CD1-CH2 4.33Å; I29-W68 HydrophobicContact CD1-CZ2 4.01Å; I29-F120 HydrophobicContact CD1-CE2 4.49Å; I29-F120 HydrophobicContact CD1-CZ 3.85Å; I29-F120 HydrophobicContact CG1-CZ 3.82Å; I29-F124 HydrophobicContact CD1-CD1 4.04Å; I29-F124 HydrophobicContact CD1-CE1 3.71Å; I29-V129 HydrophobicContact CD1-CG2 4.06Å; I29-L136 HydrophobicContact CG2-CD2 4.03Å; I29-T140 HydrophobicContact CG2-CG2 3.27Å
30N79.4Confident68.9Low33 Ų3355.8 Ų55.818%0.17636%0.356CS..EExtended strand (participates in β ladder)trans-108.5104.9174.5-71.9-42.3000109.8D27 G32 T42 T140 V141D27-N30 PolarHBondContact OD1-ND2 2.81Å; D27-N30 PolarHBondContact OD1-OD1 3.22Å; N30-G32 VanDerWaalsContact C-N 3.32Å; N30-G32 PolarHBondContact O-N 2.91Å; N30-T42 VanDerWaalsContact OD1-CG2 3.32Å; N30-T42 WeakPolarHBondContact OD1-CG2 3.46Å; N30-T140 WeakPolarHBondContact O-CA 3.49Å; N30-T140 WeakPolarHBondContact O-CG2 3.45Å; N30-V141 HydrophobicContact CB-CG2 3.86Å; N30-V141 PolarHBondContact N-O 2.74Å; N30-V141 PolarHBondContact O-N 3.05Å
31T67.9Low67.2Low20 Ų2053.3 Ų53.312%0.12334%0.343CS..EExtended strand (participates in β ladder)trans-84.284.8164.227.80000106.8L41 T140T31-L41 PolarHBondContact N-O 3.48Å; T31-L41 VanDerWaalsContact N-O 3.14Å; T31-L41 PolarHBondContact O-N 2.93Å; T31-L41 WeakPolarHBondContact OG1-CB 3.21Å; T31-L41 WeakPolarHBondContact OG1-CD2 3.34Å; T31-L41 PolarHBondContact OG1-O 3.47Å; T31-L41 VanDerWaalsContact OG1-O 3.12Å; T31-T140 HydrophobicContact CG2-CG2 3.6Å; T31-T140 WeakPolarHBondContact CG2-OG1 3.47Å
32G57.8Low65.8Low30 Ų3052.7 Ų52.731%0.30934%0.336SS..  trans-84119.1173.900000109.6N30 A34N30-G32 VanDerWaalsContact C-N 3.32Å; N30-G32 PolarHBondContact O-N 2.91Å; G32-A34 PolarHBondContact O-N 3.5Å
33D50.4Low64.4Low72 Ų7252.9 Ų52.939%0.38534%0.338SS..  trans-56.3108.8156.5-94.57.1000107.8T35 G36 L38D33-T35 PolarHBondContact O-N 2.82Å; D33-G36 PolarHBondContact O-N 2.95Å; D33-L38 VanDerWaalsContact OD2-CA 3.28Å; D33-L38 WeakPolarHBondContact OD2-CA 3.49Å; D33-L38 WeakPolarHBondContact OD2-CB 3.49Å; D33-L38 PolarHBondContact OD2-N 3.02Å
34A46.3Very low63.1Low93 Ų9350.8 Ų50.877%0.76933%0.327SS*.THydrogen-bonded Turntrans-61.513.5172.500000113.5G32G32-A34 PolarHBondContact O-N 3.5Å
35T42Very low61.9Low119 Ų11947.5 Ų47.573%0.7330%0.299SS*.THydrogen-bonded Turntrans-140.313-174.915.40000114.8D33 K37D33-T35 PolarHBondContact O-N 2.82Å; T35-K37 PolarHBondContact O-N 3.2Å
36G44.8Very low60.9Low72 Ų7247.8 Ų47.874%0.74230%0.303SS*.SBendtrans55.431.6165.300000115.7D33D33-G36 PolarHBondContact O-N 2.95Å
37K40.2Very low60.1Low165 Ų16553.3 Ų53.372%0.71732%0.32SS*.SBendtrans-132.2-1.7-175.3-101.7-176.9177.4178.20116T35 H53T35-K37 PolarHBondContact O-N 3.2Å; K37-H53 PolarHBondContact O-CE1 3.46Å
38L45.2Very low59.1Low127 Ų12753.4 Ų53.467%0.66532%0.319SS*.SBendtrans-142.1151164.7-135.566.8000108.1D33D33-L38 VanDerWaalsContact OD2-CA 3.28Å; D33-L38 WeakPolarHBondContact OD2-CA 3.49Å; D33-L38 WeakPolarHBondContact OD2-CB 3.49Å; D33-L38 PolarHBondContact OD2-N 3.02Å
39G51.2Low58.1Low20 Ų2053.6 Ų53.621%0.20632%0.32CS..PPolyproline II helixtrans-54.7140.5-16400000116.1L41 T51G39-L41 PolarHBondContact O-N 3.18Å; G39-T51 WeakPolarHBondContact CA-O 3.47Å
40S55Low56.9Low54 Ų5457.1 Ų57.138%0.37834%0.337SS..PPolyproline II helixtrans-62.3117.6167176.20000108.8T51S40-T51 PolarHBondContact O-N 3.31Å
41L59.9Low55.7Low22 Ų2258.3 Ų58.312%0.11535%0.345CS..EExtended strand (participates in β ladder)trans-99.4117.5175.1-177.287.4000107.8T31 G39 V43 Q48 Q50T31-L41 PolarHBondContact N-O 3.48Å; T31-L41 VanDerWaalsContact N-O 3.14Å; T31-L41 PolarHBondContact O-N 2.93Å; T31-L41 WeakPolarHBondContact OG1-CB 3.21Å; T31-L41 WeakPolarHBondContact OG1-CD2 3.34Å; T31-L41 PolarHBondContact OG1-O 3.47Å; T31-L41 VanDerWaalsContact OG1-O 3.12Å; G39-L41 PolarHBondContact O-N 3.18Å; L41-V43 HydrophobicContact CD2-CG2 3.77Å; L41-V43 HydrophobicContact CG-CG2 4.12Å; L41-Q48 HydrophobicContact CD1-CG 4.05Å; L41-Q50 HydrophobicContact CD1-CB 3.76Å; L41-Q50 HydrophobicContact CD1-CG 3.72Å
42T62Low55Low15 Ų1561.8 Ų61.89%0.09236%0.362CS..EExtended strand (participates in β ladder)trans-102.6113.9172.960.80000107.6N30 C49N30-T42 VanDerWaalsContact OD1-CG2 3.32Å; N30-T42 WeakPolarHBondContact OD1-CG2 3.46Å; T42-C49 PolarHBondContact N-O 3.43Å; T42-C49 PolarHBondContact O-N 3.11Å; T42-C49 PolarHBondContact OG1-O 3.01Å
43V64.6Low54.5Low4 Ų466.6 Ų66.62%0.02438%0.376CS..EExtended strand (participates in β ladder)trans-96.9117.9179.4-176.50000107.8P26 W28 I29 L41 W68P26-V43 CarbonylContact O-C 3.55Å; P26-V43 VanDerWaalsContact O-O 3.05Å; W28-V43 VanDerWaalsContact CB-O 3.29Å; W28-V43 WeakPolarHBondContact CB-O 3.34Å; W28-V43 PolarHBondContact N-O 3.15Å; I29-V43 HydrophobicContact CB-CB 4.23Å; I29-V43 PolarHBondContact N-O 3.16Å; I29-V43 PolarHBondContact O-N 2.75Å; L41-V43 HydrophobicContact CD2-CG2 3.77Å; L41-V43 HydrophobicContact CG-CG2 4.12Å; V43-W68 HydrophobicContact CG1-CE3 4.47Å; V43-W68 HydrophobicContact CG1-CH2 3.83Å; V43-W68 HydrophobicContact CG1-CZ3 3.52Å
44G61.7Low54.6Low1 Ų167.5 Ų67.51%0.0140%0.403CS..  trans-116.5157.4173.400000111.6P26 V46 R47P26-G44 WeakPolarHBondContact O-CA 3.08Å; P26-G44 PolarHBondContact O-N 3.26Å; G44-V46 PolarHBondContact O-N 3.19Å; G44-R47 CarbonylContact C-O 3.59Å; G44-R47 WeakPolarHBondContact CA-O 3.49Å; G44-R47 PolarHBondContact N-O 3.23Å
45L60.3Low54.6Low3 Ų373.2 Ų73.22%0.01640%0.404CS..SBendtrans-67.3-21.6179.7-8266000113.3W28 L64 T71 L72 I75 F120W28-L45 HydrophobicContact CB-CD1 4.09Å; W28-L45 HydrophobicContact CD2-CD1 3.29Å; W28-L45 HydrophobicContact CE3-CD1 3.57Å; W28-L45 HydrophobicContact CG-CD1 3.53Å; W28-L45 HydrophobicContact CH2-CD1 4.48Å; W28-L45 HydrophobicContact CH2-CD2 4.38Å; W28-L45 HydrophobicContact CZ2-CD1 4.27Å; W28-L45 HydrophobicContact CZ2-CD2 4.36Å; W28-L45 HydrophobicContact CZ3-CD1 4.15Å; L45-L64 WeakPolarHBondContact O-CD2 3.44Å; L45-T71 HydrophobicContact CD2-CG2 3.82Å; L45-L72 HydrophobicContact CB-CD1 4.13Å; L45-L72 HydrophobicContact CD2-CB 4.11Å; L45-L72 HydrophobicContact CD2-CD1 4.31Å; L45-I75 HydrophobicContact CD2-CD1 3.83Å; L45-F120 HydrophobicContact CD1-CD2 4.15Å; L45-F120 HydrophobicContact CD1-CE2 3.7Å
46V61.2Low55Low78 Ų7875.6 Ų75.647%0.47341%0.407SS..SBendtrans-111.8-30.2-177.9-177.10000111.7G44 L72G44-V46 PolarHBondContact O-N 3.19Å; V46-L72 HydrophobicContact CG2-CD1 3.95Å; V46-L72 HydrophobicContact CG2-CD2 4.25Å
47R58.7Low55.4Low154 Ų15480.9 Ų80.958%0.58141%0.405SS*.  trans-145142.7178.3-66.7-164.8-179.6-160.11.1110.3P26 G44P26-R47 WeakPolarHBondContact CB-O 3.46Å; G44-R47 CarbonylContact C-O 3.59Å; G44-R47 WeakPolarHBondContact CA-O 3.49Å; G44-R47 PolarHBondContact N-O 3.23Å
48Q63.3Low56.1Low38 Ų3876.6 Ų76.618%0.17839%0.393CS..EExtended strand (participates in β ladder)trans-105.2122.7167.9-176.4174.51.500107.2L41 C59 I60 P62L41-Q48 HydrophobicContact CD1-CG 4.05Å; Q48-C59 CarbonylContact O-C 3.35Å; Q48-C59 VanDerWaalsContact O-CA 3.29Å; Q48-C59 WeakPolarHBondContact O-CA 3.28Å; Q48-I60 PolarHBondContact N-O 3.39Å; Q48-I60 PolarHBondContact O-N 2.84Å; Q48-P62 HydrophobicContact CB-CB 4.04Å; Q48-P62 HydrophobicContact CB-CG 3.83Å
49C64.8Low57.1Low4 Ų472.9 Ų72.93%0.02738%0.376CS..EExtended strand (participates in β ladder)trans-117.6127.2179.6-57.70000109.1T42 W57 C59T42-C49 PolarHBondContact N-O 3.43Å; T42-C49 PolarHBondContact O-N 3.11Å; T42-C49 PolarHBondContact OG1-O 3.01Å; C49-W57 HydrophobicContact CB-CE3 4.06Å; C49-W57 HydrophobicContact CB-CZ3 4.3Å; C49-C59 HydrophobicContact CB-CB 4.24Å; C49-C59 WeakPolarHBondContact CB-SG 3.34Å; C49-C59 WeakPolarHBondContact SG-CB 3.48Å; C49-C59 CovalentContact SG-SG 2.06Å; C49-C59 PolarHBondContact SG-SG 3.34Å
50Q57.5Low57.6Low76 Ų7677.1 Ų77.136%0.35539%0.393SS..EExtended strand (participates in β ladder)trans-117.6133.3-176.5-168.9175.2-3900110.3L41 I52L41-Q50 HydrophobicContact CD1-CB 3.76Å; L41-Q50 HydrophobicContact CD1-CG 3.72Å; Q50-I52 HydrophobicContact CG-CG1 4Å
51T54.3Low57.7Low58 Ų5879.7 Ų79.736%0.35641%0.409SS..  trans-96.591.2176.4-58.60000110.6G39 S40 H53G39-T51 WeakPolarHBondContact CA-O 3.47Å; S40-T51 PolarHBondContact O-N 3.31Å; T51-H53 PolarHBondContact O-N 3.43Å
52I54.3Low57.8Low93 Ų9379.5 Ų79.548%0.47741%0.409SS..  trans-88.2109.2177-55.4176.2000109.6Q50 G54 R55Q50-I52 HydrophobicContact CG-CG1 4Å; I52-G54 PolarHBondContact O-N 2.92Å; I52-R55 PolarHBondContact O-N 2.85Å
53H47.1Very low57.9Low131 Ų13190.3 Ų90.361%0.60645%0.448SS*.THydrogen-bonded Turntrans26.478.9163.2-90.967.9000116.3K37 T51 R55K37-H53 PolarHBondContact O-CE1 3.46Å; T51-H53 PolarHBondContact O-N 3.43Å; H53-R55 VanDerWaalsContact C-N 3.28Å; H53-R55 PolarHBondContact O-N 3.48Å
54G51.8Low57.9Low91 Ų9192.4 Ų92.494%0.93846%0.459SS*.THydrogen-bonded Turntrans70.713.5167.600000116.2I52I52-G54 PolarHBondContact O-N 2.92Å
55R46Very low58.8Low213 Ų21393 Ų9380%0.80446%0.463SS*.SBendtrans-127.2150.4175.3-173.6165.2-77.4-129.2-1.8111.4I52 H53I52-R55 PolarHBondContact O-N 2.85Å; H53-R55 VanDerWaalsContact C-N 3.28Å; H53-R55 PolarHBondContact O-N 3.48Å
56E50.3Low59.9Low169 Ų16997.3 Ų97.379%0.7949%0.49SS*.  trans-42.1150.3-167.5-69.6-173.3144.100116.5T58E56-T58 PolarHBondContact O-N 3.35Å
57W54.9Low61Low183 Ų18395.4 Ų95.469%0.69348%0.476SS*.  trans-52.497.7173.1-69.874.2000111.4C49C49-W57 HydrophobicContact CB-CE3 4.06Å; C49-W57 HydrophobicContact CB-CZ3 4.3Å
58T55.1Low62.4Low75 Ų7588.4 Ų88.446%0.4645%0.45SS..EExtended strand (participates in β ladder)trans-92.6107.1168.954.40000108.8E56E56-T58 PolarHBondContact O-N 3.35Å
59C64.8Low63.6Low48 Ų4890.2 Ų90.232%0.32446%0.463SS..EExtended strand (participates in β ladder)trans-94.5115.9172.5-60.50000109.3Q48 C49Q48-C59 CarbonylContact O-C 3.35Å; Q48-C59 VanDerWaalsContact O-CA 3.29Å; Q48-C59 WeakPolarHBondContact O-CA 3.28Å; C49-C59 HydrophobicContact CB-CB 4.24Å; C49-C59 WeakPolarHBondContact CB-SG 3.34Å; C49-C59 WeakPolarHBondContact SG-CB 3.48Å; C49-C59 CovalentContact SG-SG 2.06Å; C49-C59 PolarHBondContact SG-SG 3.34Å
60I62.6Low64.9Low109 Ų10992.8 Ų92.856%0.55948%0.479SS*.EExtended strand (participates in β ladder)trans-106.1139.5179.6-57.8175.9000107.3Q48 P62Q48-I60 PolarHBondContact N-O 3.39Å; Q48-I60 PolarHBondContact O-N 2.84Å; I60-P62 WeakPolarHBondContact O-CD 3.4Å
61P56.7Low66.5Low109 Ų10989.2 Ų89.271%0.70846%0.462SS*.  trans-61.7119.2171.624.2-31.9000109.3
62P62.4Low68.3Low18 Ų1888 Ų8812%0.11745%0.454CS..  trans-64.7150.5178.28.8-5.5000110Q48 I60 L64Q48-P62 HydrophobicContact CB-CB 4.04Å; Q48-P62 HydrophobicContact CB-CG 3.83Å; I60-P62 WeakPolarHBondContact O-CD 3.4Å; P62-L64 VanDerWaalsContact C-N 3.28Å; P62-L64 HydrophobicContact CB-CD1 3.99Å; P62-L64 HydrophobicContact CG-CD1 3.59Å; P62-L64 HydrophobicContact CG-CG 4.42Å; P62-L64 PolarHBondContact O-N 2.92Å
63R63.2Low70.2Confident242 Ų24289.3 Ų89.391%0.91346%0.456SS*.  trans-74.291.8158-79.3-166.5165.4179.6-2.4107.2
64L65.8Low72.5Confident48 Ų4885.4 Ų85.425%0.25144%0.437SS..  trans-67.2133.4-178.7-85.790.1000110.8L45 P62 W68 V69L45-L64 WeakPolarHBondContact O-CD2 3.44Å; P62-L64 VanDerWaalsContact C-N 3.28Å; P62-L64 HydrophobicContact CB-CD1 3.99Å; P62-L64 HydrophobicContact CG-CD1 3.59Å; P62-L64 HydrophobicContact CG-CG 4.42Å; P62-L64 PolarHBondContact O-N 2.92Å; L64-W68 HydrophobicContact CD2-CB 3.86Å; L64-W68 HydrophobicContact CG-CB 4.5Å; L64-V69 HydrophobicContact CB-CG2 3.63Å; L64-V69 HydrophobicContact CD2-CG2 4.28Å
65P78.9Confident74.6Confident14 Ų1481 Ų819%0.09139%0.393CS..  trans-62.6154.3166.938-46.7000110E67 W68 V69 I126P65-E67 WeakPolarHBondContact CB-OE2 3.47Å; P65-E67 PolarHBondContact O-N 3.24Å; P65-E67 VanDerWaalsContact O-N 3.14Å; P65-W68 VanDerWaalsContact CD-CE3 3.49Å; P65-W68 HydrophobicContact CG-CB 3.61Å; P65-W68 HydrophobicContact CG-CD2 3.46Å; P65-W68 VanDerWaalsContact CG-CD2 3.46Å; P65-W68 HydrophobicContact CG-CE3 3.7Å; P65-W68 HydrophobicContact CG-CG 3.42Å; P65-W68 VanDerWaalsContact CG-CG 3.42Å; P65-W68 HydrophobicContact CG-CZ3 4.49Å; P65-W68 PolarHBondContact O-N 3.39Å; P65-W68 VanDerWaalsContact O-N 3.12Å; P65-V69 WeakPolarHBondContact O-CG2 3.21Å; P65-V69 PolarHBondContact O-N 3.44Å; P65-V69 VanDerWaalsContact O-N 3.09Å; P65-I126 HydrophobicContact CB-CD1 3.31Å; P65-I126 HydrophobicContact CB-CG1 4.1Å; P65-I126 HydrophobicContact CG-CD1 3.16Å; P65-I126 HydrophobicContact CG-CG1 4.4Å
66P83.7Confident76.9Confident92 Ų9274.4 Ų74.460%0.59737%0.372SS*.Hα-helixtrans-58.5-28.6178.623.1-31.5000113.1V69 T70P66-V69 PolarHBondContact O-N 3.19Å; P66-T70 WeakPolarHBondContact O-CB 3.33Å; P66-T70 WeakPolarHBondContact O-CG2 3.23Å; P66-T70 PolarHBondContact O-N 2.9Å; P66-T70 PolarHBondContact O-OG1 2.92Å
67E85.8Confident79.2Confident38 Ų3869.1 Ų69.118%0.17835%0.349CS..Hα-helixtrans-66.1-40.9177-62.282.9170.800112.1P65 T70 T71 I119 I122 Y125P65-E67 WeakPolarHBondContact CB-OE2 3.47Å; P65-E67 PolarHBondContact O-N 3.24Å; P65-E67 VanDerWaalsContact O-N 3.14Å; E67-T70 WeakPolarHBondContact CA-OG1 3.13Å; E67-T70 PolarHBondContact O-OG1 3Å; E67-T71 WeakPolarHBondContact O-CB 3.29Å; E67-T71 PolarHBondContact O-N 3.21Å; E67-T71 PolarHBondContact O-OG1 3.26Å; E67-I119 HydrophobicContact CB-CG2 4.3Å; E67-I119 VanDerWaalsContact O-CG2 3.31Å; E67-I119 WeakPolarHBondContact O-CG2 3.35Å; E67-I122 HydrophobicContact CG-CG2 4.22Å; E67-Y125 WeakPolarHBondContact OE1-CE1 3.41Å; E67-Y125 PolarHBondContact OE1-OH 3.31Å; E67-Y125 PolarHBondContact OE2-OH 2.92Å
68W86.9Confident81.1Confident8 Ų860.4 Ų60.43%0.0332%0.316CS..Hα-helixtrans-79.8-29.6178.1-63.8-9.3000111.8I29 V43 L64 P65 T71 L72 F120 G123 I126 V129I29-W68 HydrophobicContact CD1-CH2 4.33Å; I29-W68 HydrophobicContact CD1-CZ2 4.01Å; V43-W68 HydrophobicContact CG1-CE3 4.47Å; V43-W68 HydrophobicContact CG1-CH2 3.83Å; V43-W68 HydrophobicContact CG1-CZ3 3.52Å; L64-W68 HydrophobicContact CD2-CB 3.86Å; L64-W68 HydrophobicContact CG-CB 4.5Å; P65-W68 VanDerWaalsContact CD-CE3 3.49Å; P65-W68 HydrophobicContact CG-CB 3.61Å; P65-W68 HydrophobicContact CG-CD2 3.46Å; P65-W68 VanDerWaalsContact CG-CD2 3.46Å; P65-W68 HydrophobicContact CG-CE3 3.7Å; P65-W68 HydrophobicContact CG-CG 3.42Å; P65-W68 VanDerWaalsContact CG-CG 3.42Å; P65-W68 HydrophobicContact CG-CZ3 4.49Å; P65-W68 PolarHBondContact O-N 3.39Å; P65-W68 VanDerWaalsContact O-N 3.12Å; W68-T71 PolarHBondContact O-N 3.28Å; W68-L72 WeakPolarHBondContact O-CB 3.3Å; W68-L72 PolarHBondContact O-N 3.31Å; W68-F120 PolarHBondContact NE1-O 3.28Å; W68-G123 WeakPolarHBondContact CZ2-O 3.1Å; W68-I126 HydrophobicContact CD2-CD1 4.31Å; W68-I126 HydrophobicContact CE3-CD1 4.49Å; W68-I126 HydrophobicContact CH2-CD1 4.06Å; W68-I126 HydrophobicContact CZ2-CD1 3.88Å; W68-I126 HydrophobicContact CZ3-CD1 4.36Å; W68-V129 HydrophobicContact CH2-CG2 3.77Å; W68-V129 HydrophobicContact CZ2-CG2 4.04Å
69V89.4Confident83.1Confident75 Ų7557.7 Ų57.746%0.45530%0.299SS..Hα-helixtrans-63.1-46.5169.5176.50000110.7L64 P65 P66 L72 F73L64-V69 HydrophobicContact CB-CG2 3.63Å; L64-V69 HydrophobicContact CD2-CG2 4.28Å; P65-V69 WeakPolarHBondContact O-CG2 3.21Å; P65-V69 PolarHBondContact O-N 3.44Å; P65-V69 VanDerWaalsContact O-N 3.09Å; P66-V69 PolarHBondContact O-N 3.19Å; V69-L72 PolarHBondContact O-N 2.59Å; V69-F73 WeakPolarHBondContact O-CB 3.48Å; V69-F73 PolarHBondContact O-N 2.96Å
70T90.7Very high84.6Confident59 Ų5959.9 Ų59.936%0.36231%0.306SS..Hα-helixtrans-64.6-41176.946.40000111.4P66 E67 L72 F73 F74P66-T70 WeakPolarHBondContact O-CB 3.33Å; P66-T70 WeakPolarHBondContact O-CG2 3.23Å; P66-T70 PolarHBondContact O-N 2.9Å; P66-T70 PolarHBondContact O-OG1 2.92Å; E67-T70 WeakPolarHBondContact CA-OG1 3.13Å; E67-T70 PolarHBondContact O-OG1 3Å; T70-L72 PolarHBondContact O-N 2.94Å; T70-F73 WeakPolarHBondContact O-CB 3.37Å; T70-F73 PolarHBondContact O-N 3.4Å; T70-F74 WeakPolarHBondContact O-CD2 3.18Å; T70-F74 PolarHBondContact O-N 3.31Å
71T92.4Very high86.2Confident0 Ų055.6 Ų55.60%029%0.286CS..Hα-helixtrans-55.7-51.6171.4-59.70000111.4L45 E67 W68 F73 F74 I75 A116 I119 F120L45-T71 HydrophobicContact CD2-CG2 3.82Å; E67-T71 WeakPolarHBondContact O-CB 3.29Å; E67-T71 PolarHBondContact O-N 3.21Å; E67-T71 PolarHBondContact O-OG1 3.26Å; W68-T71 PolarHBondContact O-N 3.28Å; T71-F73 VanDerWaalsContact C-N 3.3Å; T71-F73 PolarHBondContact O-N 2.66Å; T71-F74 PolarHBondContact O-N 2.64Å; T71-I75 HydrophobicContact CG2-CD1 3.84Å; T71-I75 HydrophobicContact CG2-CG1 4.47Å; T71-I75 WeakPolarHBondContact O-CG1 3.38Å; T71-I75 PolarHBondContact O-N 3.31Å; T71-A116 HydrophobicContact CG2-CB 4.07Å; T71-I119 WeakPolarHBondContact OG1-CG2 3.11Å; T71-F120 HydrophobicContact CG2-CB 3.77Å; T71-F120 HydrophobicContact CG2-CD2 4.23Å; T71-F120 HydrophobicContact CG2-CG 4.44Å; T71-F120 PolarHBondContact OG1-N 3.36Å
72L91.4Very high88Confident33 Ų3350.4 Ų50.417%0.17325%0.252CS..Hα-helixtrans-59.2-42.9179.7-177.862.1000111.5I23 L45 V46 W68 V69 T70 F74 I75 I76I23-L72 HydrophobicContact CG2-CD1 4.37Å; L45-L72 HydrophobicContact CB-CD1 4.13Å; L45-L72 HydrophobicContact CD2-CB 4.11Å; L45-L72 HydrophobicContact CD2-CD1 4.31Å; V46-L72 HydrophobicContact CG2-CD1 3.95Å; V46-L72 HydrophobicContact CG2-CD2 4.25Å; W68-L72 WeakPolarHBondContact O-CB 3.3Å; W68-L72 PolarHBondContact O-N 3.31Å; V69-L72 PolarHBondContact O-N 2.59Å; T70-L72 PolarHBondContact O-N 2.94Å; L72-F74 PolarHBondContact O-N 2.88Å; L72-I75 PolarHBondContact O-N 3.35Å; L72-I76 HydrophobicContact CD1-CD1 4.23Å; L72-I76 HydrophobicContact CD1-CG1 4.44Å; L72-I76 HydrophobicContact CG-CD1 3.97Å; L72-I76 VanDerWaalsContact O-CG1 3.3Å; L72-I76 WeakPolarHBondContact O-CG1 3.08Å; L72-I76 PolarHBondContact O-N 3.22Å
73F93.8Very high89.7Confident120 Ų12052.8 Ų52.853%0.52627%0.266SS..Hα-helixtrans-58.8-47.5176.1176.6-101000112V69 T70 T71 I75 I76 L77V69-F73 WeakPolarHBondContact O-CB 3.48Å; V69-F73 PolarHBondContact O-N 2.96Å; T70-F73 WeakPolarHBondContact O-CB 3.37Å; T70-F73 PolarHBondContact O-N 3.4Å; T71-F73 VanDerWaalsContact C-N 3.3Å; T71-F73 PolarHBondContact O-N 2.66Å; F73-I75 PolarHBondContact O-N 2.9Å; F73-I76 PolarHBondContact O-N 2.82Å; F73-L77 HydrophobicContact CD1-CD1 4.02Å; F73-L77 HydrophobicContact CE1-CD1 3.37Å; F73-L77 HydrophobicContact CE1-CG 4.25Å; F73-L77 HydrophobicContact CE2-CD1 4.21Å; F73-L77 HydrophobicContact CE2-CG 4.39Å; F73-L77 HydrophobicContact CZ-CD1 3.49Å; F73-L77 VanDerWaalsContact CZ-CD1 3.49Å; F73-L77 HydrophobicContact CZ-CG 4.15Å; F73-L77 WeakPolarHBondContact O-CG 3.46Å; F73-L77 PolarHBondContact O-N 3.42Å
74F96.2Very high91.2Very high49 Ų4944.3 Ų44.322%0.21524%0.241CC..Hα-helixtrans-63.9-38.5177.2-78.9-60.4000112.8T70 T71 L72 L77 G78 L112 A116 I119T70-F74 WeakPolarHBondContact O-CD2 3.18Å; T70-F74 PolarHBondContact O-N 3.31Å; T71-F74 PolarHBondContact O-N 2.64Å; L72-F74 PolarHBondContact O-N 2.88Å; F74-L77 PolarHBondContact O-N 3.17Å; F74-G78 PolarHBondContact O-N 2.96Å; F74-L112 HydrophobicContact CD1-CD2 3.61Å; F74-L112 HydrophobicContact CE1-CD2 3.94Å; F74-A116 HydrophobicContact CB-CB 3.8Å; F74-I119 HydrophobicContact CD2-CD1 3.63Å; F74-I119 HydrophobicContact CE2-CD1 3.44Å; F74-I119 VanDerWaalsContact CE2-CD1 3.44Å
75I95Very high92.5Very high0 Ų042 Ų420%023%0.229CC..Hα-helixtrans-64.3-44.9175.6-64.5168.4000110.9I23 W28 L45 T71 L72 F73 L77 G78 I79 A116 F149I23-I75 HydrophobicContact CG2-CB 4.48Å; I23-I75 HydrophobicContact CG2-CG2 3.54Å; W28-I75 HydrophobicContact CH2-CD1 3.48Å; W28-I75 VanDerWaalsContact CH2-CD1 3.48Å; W28-I75 HydrophobicContact CZ2-CD1 4.03Å; W28-I75 HydrophobicContact CZ3-CD1 4.33Å; L45-I75 HydrophobicContact CD2-CD1 3.83Å; T71-I75 HydrophobicContact CG2-CD1 3.84Å; T71-I75 HydrophobicContact CG2-CG1 4.47Å; T71-I75 WeakPolarHBondContact O-CG1 3.38Å; T71-I75 PolarHBondContact O-N 3.31Å; L72-I75 PolarHBondContact O-N 3.35Å; F73-I75 PolarHBondContact O-N 2.9Å; I75-L77 PolarHBondContact O-N 3.26Å; I75-G78 CarbonylContact O-C 3.59Å; I75-G78 WeakPolarHBondContact O-CA 3.42Å; I75-G78 PolarHBondContact O-N 2.89Å; I75-G78 VanDerWaalsContact O-N 3.14Å; I75-I79 HydrophobicContact CG2-CD1 3.87Å; I75-I79 HydrophobicContact CG2-CG1 4.35Å; I75-I79 WeakPolarHBondContact O-CG1 3.39Å; I75-I79 PolarHBondContact O-N 3.39Å; I75-A116 HydrophobicContact CD1-CB 4.37Å; I75-A116 HydrophobicContact CG1-CB 3.65Å; I75-F149 HydrophobicContact CD1-CD2 4.31Å; I75-F149 HydrophobicContact CD1-CE2 4.01Å; I75-F149 HydrophobicContact CD1-CZ 4.23Å; I75-F149 HydrophobicContact CG1-CD2 4.33Å; I75-F149 HydrophobicContact CG1-CE2 3.68Å; I75-F149 HydrophobicContact CG1-CZ 4.01Å
76I95.7Very high93.2Very high74 Ų7442.2 Ų42.238%0.37923%0.231SC..Hα-helixtrans-60.6-46.5178.4-69.6167.4000110.8L72 F73 G78 I79 I80L72-I76 HydrophobicContact CD1-CD1 4.23Å; L72-I76 HydrophobicContact CD1-CG1 4.44Å; L72-I76 HydrophobicContact CG-CD1 3.97Å; L72-I76 VanDerWaalsContact O-CG1 3.3Å; L72-I76 WeakPolarHBondContact O-CG1 3.08Å; L72-I76 PolarHBondContact O-N 3.22Å; F73-I76 PolarHBondContact O-N 2.82Å; I76-G78 VanDerWaalsContact C-N 3.29Å; I76-G78 PolarHBondContact O-N 3.46Å; I76-I79 PolarHBondContact O-N 3.45Å; I76-I80 HydrophobicContact CG2-CD1 3.97Å; I76-I80 WeakPolarHBondContact O-CG1 3.48Å; I76-I80 PolarHBondContact O-N 3.21Å
77L97.1Very high93.5Very high58 Ų5839.9 Ų39.930%0.30422%0.223SC..Hα-helixtrans-63.5-36.1175.5-67.5-176.6000112.3F73 F74 I75 S81 L112F73-L77 HydrophobicContact CD1-CD1 4.02Å; F73-L77 HydrophobicContact CE1-CD1 3.37Å; F73-L77 HydrophobicContact CE1-CG 4.25Å; F73-L77 HydrophobicContact CE2-CD1 4.21Å; F73-L77 HydrophobicContact CE2-CG 4.39Å; F73-L77 HydrophobicContact CZ-CD1 3.49Å; F73-L77 VanDerWaalsContact CZ-CD1 3.49Å; F73-L77 HydrophobicContact CZ-CG 4.15Å; F73-L77 WeakPolarHBondContact O-CG 3.46Å; F73-L77 PolarHBondContact O-N 3.42Å; F74-L77 PolarHBondContact O-N 3.17Å; I75-L77 PolarHBondContact O-N 3.26Å; L77-S81 WeakPolarHBondContact O-CB 3.48Å; L77-S81 PolarHBondContact O-N 3.48Å; L77-S81 PolarHBondContact O-OG 3.27Å; L77-L112 HydrophobicContact CB-CD1 3.85Å; L77-L112 HydrophobicContact CD1-CD2 4.48Å
78G96.3Very high93.8Very high0 Ų040.3 Ų40.30%023%0.227CC..Hα-helixtrans-61-48.7173.300000112.3F74 I75 I76 S81 L82F74-G78 PolarHBondContact O-N 2.96Å; I75-G78 CarbonylContact O-C 3.59Å; I75-G78 WeakPolarHBondContact O-CA 3.42Å; I75-G78 PolarHBondContact O-N 2.89Å; I75-G78 VanDerWaalsContact O-N 3.14Å; I76-G78 VanDerWaalsContact C-N 3.29Å; I76-G78 PolarHBondContact O-N 3.46Å; G78-S81 WeakPolarHBondContact O-CB 3.37Å; G78-S81 PolarHBondContact O-N 3.48Å; G78-L82 WeakPolarHBondContact O-CG 3.31Å; G78-L82 PolarHBondContact O-N 3Å
79I96.5Very high93.8Very high18 Ų1840.6 Ų40.69%0.09223%0.229CC..Hα-helixtrans-58.2-51175.2-69.2166.2000110.3A19 I20 I23 I75 I76 S81 L82 T83A19-I79 HydrophobicContact CB-CD1 4.1Å; A19-I79 HydrophobicContact CB-CG1 3.57Å; I20-I79 HydrophobicContact CD1-CG2 4.18Å; I20-I79 HydrophobicContact CG1-CD1 4.2Å; I20-I79 HydrophobicContact CG1-CG1 4.41Å; I20-I79 HydrophobicContact CG1-CG2 3.75Å; I23-I79 HydrophobicContact CD1-CD1 3.59Å; I23-I79 HydrophobicContact CG1-CD1 4.16Å; I23-I79 HydrophobicContact CG2-CD1 4.42Å; I75-I79 HydrophobicContact CG2-CD1 3.87Å; I75-I79 HydrophobicContact CG2-CG1 4.35Å; I75-I79 WeakPolarHBondContact O-CG1 3.39Å; I75-I79 PolarHBondContact O-N 3.39Å; I76-I79 PolarHBondContact O-N 3.45Å; I79-S81 PolarHBondContact O-N 3.32Å; I79-L82 PolarHBondContact O-N 2.86Å; I79-T83 PolarHBondContact O-N 2.76Å; I79-T83 PolarHBondContact O-OG1 3.32Å; I79-T83 VanDerWaalsContact O-OG1 3.05Å
80I97.1Very high93.7Very high94 Ų9442 Ų4248%0.48224%0.237SC..Hα-helixtrans-55.4-42.7178-67.2166.1000110.6I76 T83 V84I76-I80 HydrophobicContact CG2-CD1 3.97Å; I76-I80 WeakPolarHBondContact O-CG1 3.48Å; I76-I80 PolarHBondContact O-N 3.21Å; I80-T83 PolarHBondContact O-N 3.1Å; I80-V84 HydrophobicContact CG2-CG2 4.41Å; I80-V84 WeakPolarHBondContact O-CB 3.36Å; I80-V84 WeakPolarHBondContact O-CG2 3.29Å; I80-V84 PolarHBondContact O-N 3.34Å
81S96.1Very high93.6Very high18 Ų1841.5 Ų41.513%0.12624%0.239CC..Hα-helixtrans-63.8-42177.6-56.60000112.2L77 G78 I79 T85 I105L77-S81 WeakPolarHBondContact O-CB 3.48Å; L77-S81 PolarHBondContact O-N 3.48Å; L77-S81 PolarHBondContact O-OG 3.27Å; G78-S81 WeakPolarHBondContact O-CB 3.37Å; G78-S81 PolarHBondContact O-N 3.48Å; I79-S81 PolarHBondContact O-N 3.32Å; S81-T85 WeakPolarHBondContact O-CB 2.83Å; S81-T85 PolarHBondContact O-N 3.33Å; S81-T85 PolarHBondContact O-OG1 3.34Å; S81-I105 VanDerWaalsContact O-CG2 3.31Å; S81-I105 WeakPolarHBondContact O-CG2 3.32Å
82L94.8Very high93.2Very high0 Ų041.8 Ų41.80%024%0.241CC..Hα-helixtrans-67.7-44.2176.7-71.9-179000112.3F12 A15 D16 G78 I79 V84 T85 C86 L113 T156F12-L82 HydrophobicContact CD1-CD2 4.15Å; A15-L82 HydrophobicContact CB-CD1 4.04Å; D16-L82 HydrophobicContact CB-CB 4.09Å; D16-L82 WeakPolarHBondContact OD1-CB 3.27Å; G78-L82 WeakPolarHBondContact O-CG 3.31Å; G78-L82 PolarHBondContact O-N 3Å; I79-L82 PolarHBondContact O-N 2.86Å; L82-V84 PolarHBondContact O-N 2.97Å; L82-T85 WeakPolarHBondContact O-CB 3.17Å; L82-T85 PolarHBondContact O-N 2.95Å; L82-C86 PolarHBondContact O-N 3.14Å; L82-C86 PolarHBondContact O-SG 3.19Å; L82-L113 HydrophobicContact CD1-CD1 3.87Å; L82-L113 HydrophobicContact CG-CD1 4.47Å; L82-T156 HydrophobicContact CD2-CG2 3.89Å
83T96.1Very high92.7Very high68 Ų6846.2 Ų46.242%0.41726%0.261SS..Hα-helixtrans-61.2-44.4176.1-51.90000111.2D16 I79 I80 T85 C86 G87D16-T83 PolarHBondContact OD1-OG1 2.93Å; D16-T83 PolarHBondContact OD2-OG1 2.06Å; I79-T83 PolarHBondContact O-N 2.76Å; I79-T83 PolarHBondContact O-OG1 3.32Å; I79-T83 VanDerWaalsContact O-OG1 3.05Å; I80-T83 PolarHBondContact O-N 3.1Å; T83-T85 VanDerWaalsContact C-N 3.33Å; T83-T85 PolarHBondContact O-N 3.14Å; T83-C86 PolarHBondContact O-N 3.08Å; T83-G87 PolarHBondContact O-N 2.88Å
84V95.3Very high92.2Very high64 Ų6451.2 Ų51.239%0.38828%0.276SS..Hα-helixtrans-62.8-41174.9170.90000110.9I80 L82 C86 G87 L88 I105I80-V84 HydrophobicContact CG2-CG2 4.41Å; I80-V84 WeakPolarHBondContact O-CB 3.36Å; I80-V84 WeakPolarHBondContact O-CG2 3.29Å; I80-V84 PolarHBondContact O-N 3.34Å; L82-V84 PolarHBondContact O-N 2.97Å; V84-C86 PolarHBondContact O-N 3.43Å; V84-G87 PolarHBondContact O-N 2.76Å; V84-L88 HydrophobicContact CG1-CD1 3.93Å; V84-L88 HydrophobicContact CG1-CG 4.28Å; V84-L88 WeakPolarHBondContact O-CB 3.12Å; V84-L88 WeakPolarHBondContact O-CG 3.16Å; V84-L88 PolarHBondContact O-N 2.97Å; V84-I105 HydrophobicContact CB-CG2 4.39Å; V84-I105 HydrophobicContact CG1-CD1 3.82Å; V84-I105 HydrophobicContact CG1-CG2 4.23Å
85T93.7Very high91.4Very high0 Ų055 Ų550%029%0.294CS..Hα-helixtrans-58.7-47.5174.6-62.30000111.1F12 S81 L82 T83 G87 L88 L89 A102 A106F12-T85 HydrophobicContact CD2-CG2 3.95Å; F12-T85 HydrophobicContact CE2-CG2 4.23Å; F12-T85 HydrophobicContact CG-CG2 4.14Å; S81-T85 WeakPolarHBondContact O-CB 2.83Å; S81-T85 PolarHBondContact O-N 3.33Å; S81-T85 PolarHBondContact O-OG1 3.34Å; L82-T85 WeakPolarHBondContact O-CB 3.17Å; L82-T85 PolarHBondContact O-N 2.95Å; T83-T85 VanDerWaalsContact C-N 3.33Å; T83-T85 PolarHBondContact O-N 3.14Å; T85-G87 PolarHBondContact O-N 3.26Å; T85-L88 PolarHBondContact O-N 2.9Å; T85-L89 HydrophobicContact CG2-CD1 4.11Å; T85-L89 HydrophobicContact CG2-CG 4.44Å; T85-L89 WeakPolarHBondContact O-CG 3.47Å; T85-L89 PolarHBondContact O-N 3.47Å; T85-A102 HydrophobicContact CG2-CB 4.3Å; T85-A106 HydrophobicContact CG2-CB 3.77Å; T85-A106 PolarHBondContact OG1-N 2.84Å
86C92.6Very high90.4Very high18 Ų1865.5 Ų65.512%0.12233%0.334CS..Hα-helixtrans-60-46.2177.7-66.60000111.1L82 T83 V84 L88 L89 V90L82-C86 PolarHBondContact O-N 3.14Å; L82-C86 PolarHBondContact O-SG 3.19Å; T83-C86 PolarHBondContact O-N 3.08Å; V84-C86 PolarHBondContact O-N 3.43Å; C86-L88 PolarHBondContact O-N 2.93Å; C86-L89 PolarHBondContact O-N 2.99Å; C86-V90 WeakPolarHBondContact O-CG2 3.45Å; C86-V90 PolarHBondContact O-N 3Å
87G91.6Very high89.6Confident43 Ų4367.8 Ų67.844%0.44334%0.343SS..Hα-helixtrans-60.3-43176.100000113T83 V84 T85 V90 A91T83-G87 PolarHBondContact O-N 2.88Å; V84-G87 PolarHBondContact O-N 2.76Å; T85-G87 PolarHBondContact O-N 3.26Å; G87-V90 PolarHBondContact O-N 3.46Å; G87-A91 WeakPolarHBondContact O-CB 3.48Å; G87-A91 PolarHBondContact O-N 2.74Å
88L90.4Very high88.8Confident47 Ų4765.7 Ų65.725%0.24633%0.334CS..Hα-helixtrans-67.8-34.9176.8-73.4174.5000112.9V84 T85 C86 A91 S92 A102 I105V84-L88 HydrophobicContact CG1-CD1 3.93Å; V84-L88 HydrophobicContact CG1-CG 4.28Å; V84-L88 WeakPolarHBondContact O-CB 3.12Å; V84-L88 WeakPolarHBondContact O-CG 3.16Å; V84-L88 PolarHBondContact O-N 2.97Å; T85-L88 PolarHBondContact O-N 2.9Å; C86-L88 PolarHBondContact O-N 2.93Å; L88-A91 CarbonylContact O-C 3.11Å; L88-A91 PolarHBondContact O-N 3.16Å; L88-S92 WeakPolarHBondContact O-CB 3.31Å; L88-S92 PolarHBondContact O-N 2.87Å; L88-A102 HydrophobicContact CB-CB 3.91Å; L88-I105 HydrophobicContact CD1-CD1 3.56Å
89L88Confident88.1Confident14 Ų1467 Ų677%0.07334%0.342CS..Hα-helixtrans-67.4-38.3174-72.7176.6000111.5T5 F12 T85 C86 S92 A102T5-L89 HydrophobicContact CG2-CD2 4.27Å; F12-L89 HydrophobicContact CD2-CD1 3.61Å; F12-L89 HydrophobicContact CE2-CD1 4.16Å; T85-L89 HydrophobicContact CG2-CD1 4.11Å; T85-L89 HydrophobicContact CG2-CG 4.44Å; T85-L89 WeakPolarHBondContact O-CG 3.47Å; T85-L89 PolarHBondContact O-N 3.47Å; C86-L89 PolarHBondContact O-N 2.99Å; L89-S92 WeakPolarHBondContact O-CB 3.39Å; L89-S92 PolarHBondContact O-N 3.43Å; L89-S92 PolarHBondContact O-OG 3Å; L89-A102 HydrophobicContact CD2-CB 3.88Å; L89-A102 HydrophobicContact CG-CB 4.03Å
90V87.9Confident87.6Confident105 Ų10573.7 Ų73.764%0.63637%0.366SS*.Hα-helixtrans-63.3-47.4171.4175.80000110.3C86 G87 S92 H93C86-V90 WeakPolarHBondContact O-CG2 3.45Å; C86-V90 PolarHBondContact O-N 3Å; G87-V90 PolarHBondContact O-N 3.46Å; V90-S92 PolarHBondContact O-N 3.35Å; V90-H93 WeakPolarHBondContact O-CB 3.46Å; V90-H93 PolarHBondContact O-CD2 2.71Å; V90-H93 PolarHBondContact O-N 3.06Å
91A86.8Confident87.1Confident49 Ų4976.5 Ų76.541%0.40537%0.372SS..Hα-helixtrans-63-27.4176.200000113G87 L88 H93 W94 H95G87-A91 WeakPolarHBondContact O-CB 3.48Å; G87-A91 PolarHBondContact O-N 2.74Å; L88-A91 CarbonylContact O-C 3.11Å; L88-A91 PolarHBondContact O-N 3.16Å; A91-H93 PolarHBondContact O-N 3.42Å; A91-W94 PolarHBondContact O-N 2.85Å; A91-H95 PolarHBondContact O-N 3.26Å; A91-H95 VanDerWaalsContact O-N 3.14Å
92S85Confident86.8Confident6 Ų675.7 Ų75.74%0.04237%0.366CS..THydrogen-bonded Turntrans-65.1-17.3178.184.20000113.9L88 L89 V90 W94 H95L88-S92 WeakPolarHBondContact O-CB 3.31Å; L88-S92 PolarHBondContact O-N 2.87Å; L89-S92 WeakPolarHBondContact O-CB 3.39Å; L89-S92 PolarHBondContact O-N 3.43Å; L89-S92 PolarHBondContact O-OG 3Å; V90-S92 PolarHBondContact O-N 3.35Å; S92-W94 PolarHBondContact O-N 3.46Å; S92-H95 WeakPolarHBondContact CA-O 3.39Å; S92-H95 CarbonylContact O-C 3.52Å; S92-H95 PolarHBondContact O-N 3.41Å
93H81Confident86.5Confident125 Ų12579.9 Ų79.958%0.57938%0.382SS*.THydrogen-bonded Turntrans-57.5-32.2169.1-82.4-93.1000112M1 V90 A91M1-H93 VanDerWaalsContact CE-NE2 3.31Å; M1-H93 WeakPolarHBondContact CE-NE2 3.44Å; M1-H93 VanDerWaalsContact SD-CD2 3.59Å; M1-H93 PolarHBondContact SD-NE2 3.28Å; M1-H93 VanDerWaalsContact SD-NE2 3.41Å; V90-H93 WeakPolarHBondContact O-CB 3.46Å; V90-H93 PolarHBondContact O-CD2 2.71Å; V90-H93 PolarHBondContact O-N 3.06Å; A91-H93 PolarHBondContact O-N 3.42Å
94W82.7Confident86.3Confident225 Ų22584.7 Ų84.785%0.85239%0.393SS*.THydrogen-bonded Turntrans-95.4-40.5177.2-125.6-90.1000112.3A91 S92A91-W94 PolarHBondContact O-N 2.85Å; S92-W94 PolarHBondContact O-N 3.46Å
95H79.3Confident86.2Confident128 Ų12884 Ų8459%0.59339%0.387SS*.  trans-124.3103.9-175.5-63.5-72.5000112.3A91 S92 E97 A98A91-H95 PolarHBondContact O-N 3.26Å; A91-H95 VanDerWaalsContact O-N 3.14Å; S92-H95 WeakPolarHBondContact CA-O 3.39Å; S92-H95 CarbonylContact O-C 3.52Å; S92-H95 PolarHBondContact O-N 3.41Å; H95-E97 PolarHBondContact O-N 3.27Å; H95-E97 VanDerWaalsContact O-N 3.07Å; H95-A98 WeakPolarHBondContact O-CB 3.34Å; H95-A98 PolarHBondContact O-N 2.95Å
96R74.4Confident86.2Confident222 Ų22284 Ų8484%0.83839%0.387SS*.THydrogen-bonded Turntrans-56.6-28.8-178.3-75166.586.9175.54.4113.8A98 T99R96-A98 VanDerWaalsContact C-N 3.26Å; R96-A98 PolarHBondContact O-N 2.89Å; R96-T99 WeakPolarHBondContact O-CB 3.34Å; R96-T99 PolarHBondContact O-N 2.86Å; R96-T99 PolarHBondContact O-OG1 2.7Å
97E78.6Confident86.2Confident122 Ų12287.6 Ų87.657%0.5740%0.4SS*.THydrogen-bonded Turntrans-61.9-28.5176.9-61.9-55.4136.300113.5H95 T99 R100H95-E97 PolarHBondContact O-N 3.27Å; H95-E97 VanDerWaalsContact O-N 3.07Å; E97-T99 PolarHBondContact O-N 2.94Å; E97-T99 VanDerWaalsContact O-N 3.16Å; E97-R100 PolarHBondContact O-N 3.16Å; E97-R100 VanDerWaalsContact O-N 3.15Å
98A81.6Confident86.3Confident14 Ų1488.9 Ų88.912%0.11640%0.399CS..Hα-helixtrans-61.8-25.7179.100000112.7H95 R96 R100 Y101 A102H95-A98 WeakPolarHBondContact O-CB 3.34Å; H95-A98 PolarHBondContact O-N 2.95Å; R96-A98 VanDerWaalsContact C-N 3.26Å; R96-A98 PolarHBondContact O-N 2.89Å; A98-R100 VanDerWaalsContact C-N 3.26Å; A98-R100 PolarHBondContact O-N 3.4Å; A98-Y101 PolarHBondContact O-N 3.31Å; A98-A102 WeakPolarHBondContact O-CB 3.32Å; A98-A102 PolarHBondContact O-N 3.37Å
99T81.6Confident86.5Confident27 Ų2786.6 Ų86.617%0.16639%0.388CS..Hα-helixtrans-61.4-34.5177.9-40.10000112.2R96 E97 R103R96-T99 WeakPolarHBondContact O-CB 3.34Å; R96-T99 PolarHBondContact O-N 2.86Å; R96-T99 PolarHBondContact O-OG1 2.7Å; E97-T99 PolarHBondContact O-N 2.94Å; E97-T99 VanDerWaalsContact O-N 3.16Å; T99-R103 WeakPolarHBondContact O-CG 3.42Å; T99-R103 PolarHBondContact O-N 2.95Å
100R84.6Confident86.9Confident159 Ų15987.7 Ų87.760%0.639%0.393SS*.Hα-helixtrans-67.6-44.8179-175.2-179.2-69.2157.42.2110.7E97 A98 R103 W104E97-R100 PolarHBondContact O-N 3.16Å; E97-R100 VanDerWaalsContact O-N 3.15Å; A98-R100 VanDerWaalsContact C-N 3.26Å; A98-R100 PolarHBondContact O-N 3.4Å; R100-R103 PolarHBondContact O-N 3.39Å; R100-W104 PolarHBondContact O-N 3.41Å
101Y87.7Confident87.3Confident153 Ų15386.5 Ų86.560%0.638%0.382SS*.Hα-helixtrans-66.1-43.1177.1-65.8-75.8000111.8A98 R103 W104 I105A98-Y101 PolarHBondContact O-N 3.31Å; Y101-R103 VanDerWaalsContact C-N 3.27Å; Y101-R103 PolarHBondContact O-N 3.29Å; Y101-W104 PolarHBondContact O-N 3.28Å; Y101-I105 WeakPolarHBondContact O-CG1 3.45Å; Y101-I105 PolarHBondContact O-N 2.85Å
102A89Confident87.8Confident1 Ų185.6 Ų85.61%0.00837%0.37CS..Hα-helixtrans-55.3-42.3176.600000112T85 L88 L89 A98 A106T85-A102 HydrophobicContact CG2-CB 4.3Å; L88-A102 HydrophobicContact CB-CB 3.91Å; L89-A102 HydrophobicContact CD2-CB 3.88Å; L89-A102 HydrophobicContact CG-CB 4.03Å; A98-A102 WeakPolarHBondContact O-CB 3.32Å; A98-A102 PolarHBondContact O-N 3.37Å; A102-A106 WeakPolarHBondContact O-CB 3.2Å; A102-A106 PolarHBondContact O-N 3.16Å
103R88.8Confident88.2Confident87 Ų8785.3 Ų85.333%0.32837%0.368SS..Hα-helixtrans-63.9-45.5177.9-72.5170.5-178.8179.9-0.6113.1T99 R100 Y101 A106 F107 A163T99-R103 WeakPolarHBondContact O-CG 3.42Å; T99-R103 PolarHBondContact O-N 2.95Å; R100-R103 PolarHBondContact O-N 3.39Å; Y101-R103 VanDerWaalsContact C-N 3.27Å; Y101-R103 PolarHBondContact O-N 3.29Å; R103-A106 PolarHBondContact O-N 3.5Å; R103-F107 WeakPolarHBondContact O-CB 3.1Å; R103-F107 PolarHBondContact O-N 3.13Å; R103-A163 HydrophobicContact CG-CB 4.18Å; R103-A163 PolarHBondContact NE-O 3.33Å; R103-A163 PolarHBondContact NH2-O 2.97Å
104W91.1Very high89Confident170 Ų17081.4 Ų81.464%0.64436%0.355SS*.Hα-helixtrans-65.1-42.4179.4-81.3110.8000111.7R100 Y101 F107 T108R100-W104 PolarHBondContact O-N 3.41Å; Y101-W104 PolarHBondContact O-N 3.28Å; W104-F107 WeakPolarHBondContact O-CB 3.35Å; W104-F107 PolarHBondContact O-N 3.43Å; W104-T108 PolarHBondContact O-N 3.29Å; W104-T108 PolarHBondContact O-OG1 3.45Å
105I93.8Very high89.6Confident50 Ų5074.9 Ų74.926%0.25633%0.334SS..Hα-helixtrans-66.6-42.3177.8-65173.4000110.8S81 V84 L88 Y101 F107 T108 G109S81-I105 VanDerWaalsContact O-CG2 3.31Å; S81-I105 WeakPolarHBondContact O-CG2 3.32Å; V84-I105 HydrophobicContact CB-CG2 4.39Å; V84-I105 HydrophobicContact CG1-CD1 3.82Å; V84-I105 HydrophobicContact CG1-CG2 4.23Å; L88-I105 HydrophobicContact CD1-CD1 3.56Å; Y101-I105 WeakPolarHBondContact O-CG1 3.45Å; Y101-I105 PolarHBondContact O-N 2.85Å; I105-F107 VanDerWaalsContact C-N 3.3Å; I105-F107 PolarHBondContact O-N 3.12Å; I105-T108 PolarHBondContact O-N 3.26Å; I105-G109 PolarHBondContact O-N 2.91Å
106A93.1Very high90.3Very high0 Ų068.8 Ų68.80%031%0.306CS..Hα-helixtrans-60.3-40174.100000112.1F12 T85 A102 R103 G109 M110 L160F12-A106 HydrophobicContact CE1-CB 3.79Å; F12-A106 HydrophobicContact CE2-CB 4.43Å; F12-A106 HydrophobicContact CZ-CB 3.73Å; T85-A106 HydrophobicContact CG2-CB 3.77Å; T85-A106 PolarHBondContact OG1-N 2.84Å; A102-A106 WeakPolarHBondContact O-CB 3.2Å; A102-A106 PolarHBondContact O-N 3.16Å; R103-A106 PolarHBondContact O-N 3.5Å; A106-G109 PolarHBondContact O-N 3.41Å; A106-M110 PolarHBondContact O-N 3.41Å; A106-L160 HydrophobicContact CB-CD2 3.7Å; A106-L160 HydrophobicContact CB-CG 4.17Å
107F93.4Very high91.3Very high92 Ų9259.2 Ų59.240%0.40428%0.275SS..Hα-helixtrans-65.1-42.6176.5-178-102.2000111.8R103 W104 I105 G109 M110 I111 L160R103-F107 WeakPolarHBondContact O-CB 3.1Å; R103-F107 PolarHBondContact O-N 3.13Å; W104-F107 WeakPolarHBondContact O-CB 3.35Å; W104-F107 PolarHBondContact O-N 3.43Å; I105-F107 VanDerWaalsContact C-N 3.3Å; I105-F107 PolarHBondContact O-N 3.12Å; F107-G109 VanDerWaalsContact C-N 3.35Å; F107-M110 HydrophobicContact CD2-CE 3.56Å; F107-M110 HydrophobicContact CE2-CE 3.5Å; F107-M110 VanDerWaalsContact CE2-CE 3.5Å; F107-M110 HydrophobicContact CZ-CE 4.42Å; F107-M110 WeakPolarHBondContact O-CB 3.29Å; F107-M110 PolarHBondContact O-N 2.97Å; F107-I111 HydrophobicContact CD1-CD1 3.91Å; F107-I111 HydrophobicContact CE1-CD1 3.44Å; F107-I111 VanDerWaalsContact CE1-CD1 3.44Å; F107-I111 HydrophobicContact CE1-CG1 4.42Å; F107-I111 HydrophobicContact CZ-CD1 3.88Å; F107-I111 WeakPolarHBondContact O-CG1 3.48Å; F107-I111 PolarHBondContact O-N 2.77Å; F107-I111 VanDerWaalsContact O-N 3.11Å; F107-L160 HydrophobicContact CB-CD2 4.26Å
108T94.3Very high92Very high70 Ų7058.2 Ų58.243%0.42927%0.273SS..Hα-helixtrans-60.1-45.3171.3-58.60000111.2W104 I105 M110 I111 L112W104-T108 PolarHBondContact O-N 3.29Å; W104-T108 PolarHBondContact O-OG1 3.45Å; I105-T108 PolarHBondContact O-N 3.26Å; T108-M110 PolarHBondContact O-N 3.15Å; T108-I111 PolarHBondContact O-N 3.46Å; T108-L112 HydrophobicContact CG2-CD1 4.04Å; T108-L112 HydrophobicContact CG2-CG 4.47Å; T108-L112 VanDerWaalsContact O-CG 3.31Å; T108-L112 WeakPolarHBondContact O-CG 3.31Å; T108-L112 PolarHBondContact O-N 2.91Å
109G94.8Very high92.5Very high0 Ų058.9 Ų58.90%027%0.274CS..Hα-helixtrans-57.1-45.2175.500000112.8I105 A106 F107 I111 L112 L113I105-G109 PolarHBondContact O-N 2.91Å; A106-G109 PolarHBondContact O-N 3.41Å; F107-G109 VanDerWaalsContact C-N 3.35Å; G109-I111 PolarHBondContact O-N 2.93Å; G109-L112 PolarHBondContact O-N 3.45Å; G109-L113 VanDerWaalsContact O-CG 3.29Å; G109-L113 WeakPolarHBondContact O-CG 3.29Å; G109-L113 PolarHBondContact O-N 3.26Å
110M95.9Very high92.9Very high36 Ų3657.7 Ų57.718%0.17727%0.266CS..Hα-helixtrans-57.2-47.2174.9-177.4-168.869.900111.9A106 F107 T108 L112 L113 C114 T156 I157 L160A106-M110 PolarHBondContact O-N 3.41Å; F107-M110 HydrophobicContact CD2-CE 3.56Å; F107-M110 HydrophobicContact CE2-CE 3.5Å; F107-M110 VanDerWaalsContact CE2-CE 3.5Å; F107-M110 HydrophobicContact CZ-CE 4.42Å; F107-M110 WeakPolarHBondContact O-CB 3.29Å; F107-M110 PolarHBondContact O-N 2.97Å; T108-M110 PolarHBondContact O-N 3.15Å; M110-L112 VanDerWaalsContact C-N 3.35Å; M110-L112 PolarHBondContact O-N 2.99Å; M110-L113 PolarHBondContact O-N 2.98Å; M110-C114 WeakPolarHBondContact O-CB 3.48Å; M110-C114 PolarHBondContact O-N 3.3Å; M110-C114 PolarHBondContact O-SG 2.87Å; M110-T156 HydrophobicContact CB-CG2 3.86Å; M110-T156 HydrophobicContact CG-CG2 4.41Å; M110-I157 HydrophobicContact CG-CG1 3.95Å; M110-I157 HydrophobicContact SD-CG1 3.73Å; M110-L160 HydrophobicContact CB-CD1 3.7Å; M110-L160 HydrophobicContact CE-CD1 4.3Å; M110-L160 HydrophobicContact CG-CD1 4.11Å; M110-L160 HydrophobicContact SD-CD1 3.54Å; M110-L160 VanDerWaalsContact SD-CD1 3.54Å
111I95.9Very high93.1Very high80 Ų8050.7 Ų50.741%0.4124%0.242SC..Hα-helixtrans-60.8-45.6178.4-68.1169.4000110.7F107 T108 G109 C114 M115F107-I111 HydrophobicContact CD1-CD1 3.91Å; F107-I111 HydrophobicContact CE1-CD1 3.44Å; F107-I111 VanDerWaalsContact CE1-CD1 3.44Å; F107-I111 HydrophobicContact CE1-CG1 4.42Å; F107-I111 HydrophobicContact CZ-CD1 3.88Å; F107-I111 WeakPolarHBondContact O-CG1 3.48Å; F107-I111 PolarHBondContact O-N 2.77Å; F107-I111 VanDerWaalsContact O-N 3.11Å; T108-I111 PolarHBondContact O-N 3.46Å; G109-I111 PolarHBondContact O-N 2.93Å; I111-C114 PolarHBondContact O-N 3.26Å; I111-M115 HydrophobicContact CG2-CG 4.35Å; I111-M115 VanDerWaalsContact O-CG 3.29Å; I111-M115 WeakPolarHBondContact O-CG 3.33Å; I111-M115 PolarHBondContact O-N 2.96Å
112L96.5Very high93.2Very high30 Ų3046.1 Ų46.116%0.15723%0.227CC..Hα-helixtrans-61.2-46.1179.7-65.8165.5000111.6F74 L77 T108 G109 M110 M115 A116F74-L112 HydrophobicContact CD1-CD2 3.61Å; F74-L112 HydrophobicContact CE1-CD2 3.94Å; L77-L112 HydrophobicContact CB-CD1 3.85Å; L77-L112 HydrophobicContact CD1-CD2 4.48Å; T108-L112 HydrophobicContact CG2-CD1 4.04Å; T108-L112 HydrophobicContact CG2-CG 4.47Å; T108-L112 VanDerWaalsContact O-CG 3.31Å; T108-L112 WeakPolarHBondContact O-CG 3.31Å; T108-L112 PolarHBondContact O-N 2.91Å; G109-L112 PolarHBondContact O-N 3.45Å; M110-L112 VanDerWaalsContact C-N 3.35Å; M110-L112 PolarHBondContact O-N 2.99Å; L112-M115 PolarHBondContact O-N 3.23Å; L112-A116 PolarHBondContact O-N 2.95Å
113L95.1Very high93Very high0 Ų046.1 Ų46.10%023%0.227CC..Hα-helixtrans-65.9-38.9177.8-62.9169.3000111.6L82 G109 M110 A116 A117 F149 I153L82-L113 HydrophobicContact CD1-CD1 3.87Å; L82-L113 HydrophobicContact CG-CD1 4.47Å; G109-L113 VanDerWaalsContact O-CG 3.29Å; G109-L113 WeakPolarHBondContact O-CG 3.29Å; G109-L113 PolarHBondContact O-N 3.26Å; M110-L113 PolarHBondContact O-N 2.98Å; L113-A116 WeakPolarHBondContact O-CB 3.46Å; L113-A116 PolarHBondContact O-N 3.5Å; L113-A117 PolarHBondContact O-N 3.29Å; L113-F149 HydrophobicContact CB-CE2 4.36Å; L113-F149 HydrophobicContact CD2-CE2 3.79Å; L113-F149 WeakPolarHBondContact O-CZ 2.92Å; L113-I153 HydrophobicContact CB-CD1 4.4Å; L113-I153 HydrophobicContact CB-CG1 3.78Å
114C96.2Very high92.9Very high44 Ų4442.3 Ų42.330%0.29721%0.213SC..Hα-helixtrans-64.3-41174.1-72.80000112.3M110 I111 A116 A117 L118M110-C114 WeakPolarHBondContact O-CB 3.48Å; M110-C114 PolarHBondContact O-N 3.3Å; M110-C114 PolarHBondContact O-SG 2.87Å; I111-C114 PolarHBondContact O-N 3.26Å; C114-A116 VanDerWaalsContact C-N 3.34Å; C114-A116 PolarHBondContact O-N 3.04Å; C114-A117 WeakPolarHBondContact O-CB 3.28Å; C114-A117 PolarHBondContact O-N 3.49Å; C114-L118 WeakPolarHBondContact O-CG 3.34Å; C114-L118 PolarHBondContact O-N 2.99Å; C114-L118 VanDerWaalsContact O-N 3.08Å
115M96.1Very high92.4Very high87 Ų8739.1 Ų39.143%0.42920%0.201SC..Hα-helixtrans-63.1-41.4175.2-70.7-63.9-78.500111.2I111 L112 A117 L118 I119I111-M115 HydrophobicContact CG2-CG 4.35Å; I111-M115 VanDerWaalsContact O-CG 3.29Å; I111-M115 WeakPolarHBondContact O-CG 3.33Å; I111-M115 PolarHBondContact O-N 2.96Å; L112-M115 PolarHBondContact O-N 3.23Å; M115-A117 VanDerWaalsContact C-N 3.35Å; M115-A117 PolarHBondContact O-N 3.5Å; M115-L118 PolarHBondContact O-N 3.2Å; M115-L118 VanDerWaalsContact O-N 3.17Å; M115-I119 VanDerWaalsContact O-CG1 3.28Å; M115-I119 WeakPolarHBondContact O-CG1 3.36Å; M115-I119 PolarHBondContact O-N 3.32Å
116A94.1Very high91.6Very high0 Ų037.9 Ų37.90%020%0.195CC..Hα-helixtrans-59-43.7172.500000112.4T71 F74 I75 L112 L113 C114 L118 I119 F120 F149T71-A116 HydrophobicContact CG2-CB 4.07Å; F74-A116 HydrophobicContact CB-CB 3.8Å; I75-A116 HydrophobicContact CD1-CB 4.37Å; I75-A116 HydrophobicContact CG1-CB 3.65Å; L112-A116 PolarHBondContact O-N 2.95Å; L113-A116 WeakPolarHBondContact O-CB 3.46Å; L113-A116 PolarHBondContact O-N 3.5Å; C114-A116 VanDerWaalsContact C-N 3.34Å; C114-A116 PolarHBondContact O-N 3.04Å; A116-L118 VanDerWaalsContact C-N 3.25Å; A116-L118 PolarHBondContact O-N 3.47Å; A116-I119 PolarHBondContact O-N 3.38Å; A116-F120 WeakPolarHBondContact O-CB 3.49Å; A116-F120 PolarHBondContact O-N 2.92Å; A116-F149 HydrophobicContact CB-CZ 3.77Å
117A94.3Very high90.6Very high21 Ų2145.2 Ų45.217%0.17423%0.234CC..Hα-helixtrans-61.7-30.1175.700000113.7L113 C114 M115 P121 F149 I153L113-A117 PolarHBondContact O-N 3.29Å; C114-A117 WeakPolarHBondContact O-CB 3.28Å; C114-A117 PolarHBondContact O-N 3.49Å; M115-A117 VanDerWaalsContact C-N 3.35Å; M115-A117 PolarHBondContact O-N 3.5Å; A117-P121 WeakPolarHBondContact O-CD 3.37Å; A117-F149 HydrophobicContact CB-CE1 3.83Å; A117-F149 HydrophobicContact CB-CZ 4.29Å; A117-I153 HydrophobicContact CB-CD1 3.64Å
118L93.8Very high89.5Confident101 Ų10145 Ų4553%0.52924%0.235SC..Hα-helixtrans-80.7-37.5176-67.6176000112.8C114 M115 A116 P121 Y134C114-L118 WeakPolarHBondContact O-CG 3.34Å; C114-L118 PolarHBondContact O-N 2.99Å; C114-L118 VanDerWaalsContact O-N 3.08Å; M115-L118 PolarHBondContact O-N 3.2Å; M115-L118 VanDerWaalsContact O-N 3.17Å; A116-L118 VanDerWaalsContact C-N 3.25Å; A116-L118 PolarHBondContact O-N 3.47Å; L118-P121 WeakPolarHBondContact O-CD 3.42Å; L118-Y134 PolarHBondContact O-OH 3.11Å
119I91.8Very high88.5Confident28 Ų2842 Ų4214%0.14422%0.216CC..Hα-helixtrans-75.3-36.4-177.6-64.5164.9000111.1E67 T71 F74 M115 A116 I122E67-I119 HydrophobicContact CB-CG2 4.3Å; E67-I119 VanDerWaalsContact O-CG2 3.31Å; E67-I119 WeakPolarHBondContact O-CG2 3.35Å; T71-I119 WeakPolarHBondContact OG1-CG2 3.11Å; F74-I119 HydrophobicContact CD2-CD1 3.63Å; F74-I119 HydrophobicContact CE2-CD1 3.44Å; F74-I119 VanDerWaalsContact CE2-CD1 3.44Å; M115-I119 VanDerWaalsContact O-CG1 3.28Å; M115-I119 WeakPolarHBondContact O-CG1 3.36Å; M115-I119 PolarHBondContact O-N 3.32Å; A116-I119 PolarHBondContact O-N 3.38Å; I119-I122 VanDerWaalsContact O-CB 3.25Å; I119-I122 WeakPolarHBondContact O-CB 3.4Å; I119-I122 PolarHBondContact O-N 3.2Å
120F90.7Very high87.5Confident2 Ų244.6 Ų44.61%0.00924%0.242CC..G310 helixtrans-53.9-49.9-175.7175-104.3000114.1W28 I29 L45 W68 T71 A116 I122 G123 F124 Y146W28-F120 HydrophobicContact CB-CZ 4.25Å; W28-F120 HydrophobicContact CE3-CD2 4.17Å; W28-F120 HydrophobicContact CE3-CE1 4.18Å; W28-F120 AromaticContact CE3-CE2 3.73Å; W28-F120 HydrophobicContact CE3-CE2 3.73Å; W28-F120 AromaticContact CE3-CZ 3.72Å; W28-F120 HydrophobicContact CE3-CZ 3.72Å; W28-F120 HydrophobicContact CZ3-CD2 4.36Å; W28-F120 HydrophobicContact CZ3-CE2 4.36Å; I29-F120 HydrophobicContact CD1-CE2 4.49Å; I29-F120 HydrophobicContact CD1-CZ 3.85Å; I29-F120 HydrophobicContact CG1-CZ 3.82Å; L45-F120 HydrophobicContact CD1-CD2 4.15Å; L45-F120 HydrophobicContact CD1-CE2 3.7Å; W68-F120 PolarHBondContact NE1-O 3.28Å; T71-F120 HydrophobicContact CG2-CB 3.77Å; T71-F120 HydrophobicContact CG2-CD2 4.23Å; T71-F120 HydrophobicContact CG2-CG 4.44Å; T71-F120 PolarHBondContact OG1-N 3.36Å; A116-F120 WeakPolarHBondContact O-CB 3.49Å; A116-F120 PolarHBondContact O-N 2.92Å; F120-I122 PolarHBondContact O-N 3.3Å; F120-G123 PolarHBondContact O-N 3.06Å; F120-F124 AromaticContact CD1-CE1 3.97Å; F120-F124 HydrophobicContact CD1-CE1 3.97Å; F120-F124 HydrophobicContact CD1-CZ 4.1Å; F120-F124 AromaticContact CE1-CE1 3.57Å; F120-F124 HydrophobicContact CE1-CE1 3.57Å; F120-F124 AromaticContact CE1-CZ 3.76Å; F120-F124 HydrophobicContact CE1-CZ 3.76Å; F120-F124 AromaticContact CZ-CE1 3.96Å; F120-F124 HydrophobicContact CZ-CE1 3.96Å; F120-Y146 AromaticContact CD1-CD2 3.75Å; F120-Y146 HydrophobicContact CD1-CD2 3.75Å; F120-Y146 AromaticContact CD1-CE2 3.51Å; F120-Y146 HydrophobicContact CD1-CE2 3.51Å; F120-Y146 AromaticContact CE1-CD2 3.57Å; F120-Y146 HydrophobicContact CE1-CD2 3.57Å; F120-Y146 AromaticContact CE1-CE2 3.77Å; F120-Y146 HydrophobicContact CE1-CE2 3.77Å; F120-Y146 HydrophobicContact CE1-CG 4.35Å; F120-Y146 HydrophobicContact CG-CE2 4.48Å; F120-Y146 HydrophobicContact CZ-CD2 4.41Å
121P89.8Confident86.9Confident13 Ų1343.6 Ų43.68%0.08424%0.242CC..G310 helixtrans-69.6-16.3179.4-18.733.6000114.1A117 L118 G123 F124 Y134A117-P121 WeakPolarHBondContact O-CD 3.37Å; L118-P121 WeakPolarHBondContact O-CD 3.42Å; P121-G123 PolarHBondContact O-N 2.87Å; P121-F124 HydrophobicContact CB-CD2 4.12Å; P121-F124 HydrophobicContact CB-CE1 4.5Å; P121-F124 HydrophobicContact CB-CE2 3.75Å; P121-F124 HydrophobicContact CB-CZ 3.96Å; P121-F124 HydrophobicContact CG-CZ 4.42Å; P121-F124 WeakPolarHBondContact O-CB 3.48Å; P121-F124 WeakPolarHBondContact O-CG 3.38Å; P121-F124 PolarHBondContact O-N 2.96Å; P121-Y134 HydrophobicContact CB-CD1 3.67Å; P121-Y134 HydrophobicContact CB-CE1 4.15Å; P121-Y134 HydrophobicContact CB-CG 4.23Å; P121-Y134 HydrophobicContact CG-CD1 4.27Å; P121-Y134 HydrophobicContact CG-CE1 4.49Å; P121-Y134 PolarHBondContact O-N 3.03Å
122I89.1Confident86.3Confident57 Ų5745.8 Ų45.829%0.29225%0.25SS..G310 helixtrans-61.2-40.7173.6-58.6176.8000109E67 I119 F120 F124 Y125 Y134E67-I122 HydrophobicContact CG-CG2 4.22Å; I119-I122 VanDerWaalsContact O-CB 3.25Å; I119-I122 WeakPolarHBondContact O-CB 3.4Å; I119-I122 PolarHBondContact O-N 3.2Å; F120-I122 PolarHBondContact O-N 3.3Å; I122-F124 PolarHBondContact O-N 2.95Å; I122-Y125 WeakPolarHBondContact O-CD1 3.47Å; I122-Y134 HydrophobicContact CG1-CE1 4.43Å; I122-Y134 HydrophobicContact CG1-CE2 3.75Å; I122-Y134 WeakPolarHBondContact CG1-OH 3.44Å
123G85.1Confident85.8Confident0 Ų047.5 Ų47.50%026%0.263CS..G310 helixtrans-72.19.3-179.900000115.6W68 F120 P121 Y125 I126W68-G123 WeakPolarHBondContact CZ2-O 3.1Å; F120-G123 PolarHBondContact O-N 3.06Å; P121-G123 PolarHBondContact O-N 2.87Å; G123-Y125 PolarHBondContact O-N 3.4Å; G123-I126 WeakPolarHBondContact O-CD1 3.39Å; G123-I126 VanDerWaalsContact O-CG1 3.23Å; G123-I126 WeakPolarHBondContact O-CG1 3.41Å
124F86.7Confident85.4Confident8 Ų854.1 Ų54.14%0.03529%0.289CS..G310 helixtrans-72.2-9.2177.3-68.3-7000114.1I29 F120 P121 I122 I126 V129 G131 Q132 L136I29-F124 HydrophobicContact CD1-CD1 4.04Å; I29-F124 HydrophobicContact CD1-CE1 3.71Å; F120-F124 AromaticContact CD1-CE1 3.97Å; F120-F124 HydrophobicContact CD1-CE1 3.97Å; F120-F124 HydrophobicContact CD1-CZ 4.1Å; F120-F124 AromaticContact CE1-CE1 3.57Å; F120-F124 HydrophobicContact CE1-CE1 3.57Å; F120-F124 AromaticContact CE1-CZ 3.76Å; F120-F124 HydrophobicContact CE1-CZ 3.76Å; F120-F124 AromaticContact CZ-CE1 3.96Å; F120-F124 HydrophobicContact CZ-CE1 3.96Å; P121-F124 HydrophobicContact CB-CD2 4.12Å; P121-F124 HydrophobicContact CB-CE1 4.5Å; P121-F124 HydrophobicContact CB-CE2 3.75Å; P121-F124 HydrophobicContact CB-CZ 3.96Å; P121-F124 HydrophobicContact CG-CZ 4.42Å; P121-F124 WeakPolarHBondContact O-CB 3.48Å; P121-F124 WeakPolarHBondContact O-CG 3.38Å; P121-F124 PolarHBondContact O-N 2.96Å; I122-F124 PolarHBondContact O-N 2.95Å; F124-I126 PolarHBondContact O-N 2.98Å; F124-V129 HydrophobicContact CB-CG1 4.49Å; F124-G131 CarbonylContact O-C 3.07Å; F124-G131 WeakPolarHBondContact O-CA 3.45Å; F124-G131 PolarHBondContact O-N 3.44Å; F124-Q132 WeakPolarHBondContact CB-O 3.09Å; F124-L136 HydrophobicContact CD2-CD1 4.21Å; F124-L136 HydrophobicContact CD2-CD2 4.44Å; F124-L136 HydrophobicContact CD2-CG 3.75Å; F124-L136 HydrophobicContact CE2-CD1 3.54Å; F124-L136 HydrophobicContact CE2-CD2 4.38Å; F124-L136 HydrophobicContact CE2-CG 3.61Å; F124-L136 HydrophobicContact CG-CG 4.39Å; F124-L136 HydrophobicContact CZ-CD1 3.9Å; F124-L136 HydrophobicContact CZ-CG 4.16Å
125Y79.6Confident84.9Confident103 Ų10358.2 Ų58.240%0.40430%0.302SS..G310 helixtrans-73.1-10.9179.271.2-100.8000114.6E67 I122 G123 G131 P133E67-Y125 WeakPolarHBondContact OE1-CE1 3.41Å; E67-Y125 PolarHBondContact OE1-OH 3.31Å; E67-Y125 PolarHBondContact OE2-OH 2.92Å; I122-Y125 WeakPolarHBondContact O-CD1 3.47Å; G123-Y125 PolarHBondContact O-N 3.4Å; Y125-G131 WeakPolarHBondContact CA-O 3.38Å; Y125-P133 HydrophobicContact CD1-CG 4.37Å
126I77.6Confident84.4Confident23 Ų2356 Ų5612%0.11829%0.291CS..SBendtrans-75.1146.5-169.3-46.9153.7000109.5P65 W68 G123 F124 E128 V129 G130P65-I126 HydrophobicContact CB-CD1 3.31Å; P65-I126 HydrophobicContact CB-CG1 4.1Å; P65-I126 HydrophobicContact CG-CD1 3.16Å; P65-I126 HydrophobicContact CG-CG1 4.4Å; W68-I126 HydrophobicContact CD2-CD1 4.31Å; W68-I126 HydrophobicContact CE3-CD1 4.49Å; W68-I126 HydrophobicContact CH2-CD1 4.06Å; W68-I126 HydrophobicContact CZ2-CD1 3.88Å; W68-I126 HydrophobicContact CZ3-CD1 4.36Å; G123-I126 WeakPolarHBondContact O-CD1 3.39Å; G123-I126 VanDerWaalsContact O-CG1 3.23Å; G123-I126 WeakPolarHBondContact O-CG1 3.41Å; F124-I126 PolarHBondContact O-N 2.98Å; I126-E128 WeakPolarHBondContact CG2-OE2 3.31Å; I126-E128 PolarHBondContact O-N 3.26Å; I126-E128 VanDerWaalsContact O-N 3.08Å; I126-V129 PolarHBondContact O-N 3.47Å; I126-G130 PolarHBondContact O-N 3.32Å
127D71.5Confident83.8Confident154 Ų15457.5 Ų57.582%0.82430%0.301SS*.THydrogen-bonded Turntrans-54.4-30.8-171.9-63.1-36.1000113.9V129D127-V129 VanDerWaalsContact C-N 3.29Å; D127-V129 PolarHBondContact O-N 3.03Å
128E70.3Confident83.2Confident89 Ų8964.9 Ų64.942%0.41634%0.338SS..THydrogen-bonded Turntrans-68.9-26.5177.2-59.582.9-177.200113.4I126I126-E128 WeakPolarHBondContact CG2-OE2 3.31Å; I126-E128 PolarHBondContact O-N 3.26Å; I126-E128 VanDerWaalsContact O-N 3.08Å
129V74.4Confident82.4Confident7 Ų764.3 Ų64.34%0.04234%0.335CS..THydrogen-bonded Turntrans-96.5-36.5176-178.80000110.4I29 W68 F124 I126 D127 G131 L136 P137I29-V129 HydrophobicContact CD1-CG2 4.06Å; W68-V129 HydrophobicContact CH2-CG2 3.77Å; W68-V129 HydrophobicContact CZ2-CG2 4.04Å; F124-V129 HydrophobicContact CB-CG1 4.49Å; I126-V129 PolarHBondContact O-N 3.47Å; D127-V129 VanDerWaalsContact C-N 3.29Å; D127-V129 PolarHBondContact O-N 3.03Å; V129-G131 PolarHBondContact O-N 2.88Å; V129-L136 HydrophobicContact CG1-CD2 4Å; V129-P137 VanDerWaalsContact O-CG 3.26Å; V129-P137 WeakPolarHBondContact O-CG 2.88Å
130G73.9Confident81.7Confident53 Ų5363.3 Ų63.355%0.54633%0.331SS..  trans66.323178.900000114.1I126I126-G130 PolarHBondContact O-N 3.32Å
131G82Confident81.4Confident16 Ų1667.5 Ų67.517%0.16536%0.356CS..  trans-93.1-167.5-178.500000114.1F124 Y125 V129F124-G131 CarbonylContact O-C 3.07Å; F124-G131 WeakPolarHBondContact O-CA 3.45Å; F124-G131 PolarHBondContact O-N 3.44Å; Y125-G131 WeakPolarHBondContact CA-O 3.38Å; V129-G131 PolarHBondContact O-N 2.88Å
132Q84.4Confident81.3Confident126 Ų12669.8 Ų69.859%0.58937%0.37SS*.BIsolated β-bridgetrans-114.8158.2164.9-69.9-179.4-21.700108.4F124 Y134 K135F124-Q132 WeakPolarHBondContact CB-O 3.09Å; Q132-Y134 PolarHBondContact O-N 3.2Å; Q132-K135 HydrophobicContact CB-CB 4.3Å; Q132-K135 PolarHBondContact N-O 3.46Å; Q132-K135 CarbonylContact O-C 3.45Å; Q132-K135 PolarHBondContact O-N 3.12Å
133P85.3Confident81.2Confident66 Ų6667.2 Ų67.243%0.42936%0.357SS..THydrogen-bonded Turntrans-50.5130.3173.7-25.635000110.7Y125 K135Y125-P133 HydrophobicContact CD1-CG 4.37Å; P133-K135 PolarHBondContact O-N 3.18Å
134Y86.7Confident81.3Confident139 Ų13970 Ų7055%0.54538%0.377SS..THydrogen-bonded Turntrans65.32.5-175.3-56.5-88.1000116.7L118 P121 I122 Q132L118-Y134 PolarHBondContact O-OH 3.11Å; P121-Y134 HydrophobicContact CB-CD1 3.67Å; P121-Y134 HydrophobicContact CB-CE1 4.15Å; P121-Y134 HydrophobicContact CB-CG 4.23Å; P121-Y134 HydrophobicContact CG-CD1 4.27Å; P121-Y134 HydrophobicContact CG-CE1 4.49Å; P121-Y134 PolarHBondContact O-N 3.03Å; I122-Y134 HydrophobicContact CG1-CE1 4.43Å; I122-Y134 HydrophobicContact CG1-CE2 3.75Å; I122-Y134 WeakPolarHBondContact CG1-OH 3.44Å; Q132-Y134 PolarHBondContact O-N 3.2Å
135K86.2Confident81.5Confident130 Ų13069.7 Ų69.757%0.56538%0.375SS*.BIsolated β-bridgetrans-134.2110.2-178-173.2178.6179-178.10111.9Q132 P133Q132-K135 HydrophobicContact CB-CB 4.3Å; Q132-K135 PolarHBondContact N-O 3.46Å; Q132-K135 CarbonylContact O-C 3.45Å; Q132-K135 PolarHBondContact O-N 3.12Å; P133-K135 PolarHBondContact O-N 3.18Å
136L84.4Confident82Confident40 Ų4067 Ų6721%0.20937%0.365CS..  trans-72.2146170.8-77.4141000111I29 F124 V129 T140 V142I29-L136 HydrophobicContact CG2-CD2 4.03Å; F124-L136 HydrophobicContact CD2-CD1 4.21Å; F124-L136 HydrophobicContact CD2-CD2 4.44Å; F124-L136 HydrophobicContact CD2-CG 3.75Å; F124-L136 HydrophobicContact CE2-CD1 3.54Å; F124-L136 HydrophobicContact CE2-CD2 4.38Å; F124-L136 HydrophobicContact CE2-CG 3.61Å; F124-L136 HydrophobicContact CG-CG 4.39Å; F124-L136 HydrophobicContact CZ-CD1 3.9Å; F124-L136 HydrophobicContact CZ-CG 4.16Å; V129-L136 HydrophobicContact CG1-CD2 4Å; L136-T140 HydrophobicContact CD2-CG2 3.49Å; L136-T140 VanDerWaalsContact CD2-CG2 3.49Å; L136-V142 HydrophobicContact CD1-CG1 3.66Å
137P82.6Confident82.7Confident32 Ų3269.4 Ų69.421%0.20838%0.38CS..  trans-72.5156.217127.8-27.6000111.1V129 N139 T140V129-P137 VanDerWaalsContact O-CG 3.26Å; V129-P137 WeakPolarHBondContact O-CG 2.88Å; P137-N139 WeakPolarHBondContact CB-OD1 3.45Å; P137-N139 WeakPolarHBondContact CG-OD1 3.09Å; P137-N139 PolarHBondContact O-N 3.14Å; P137-T140 PolarHBondContact O-N 3.12Å
138N80.4Confident83.8Confident175 Ų17564 Ų6494%0.93635%0.351SS*.THydrogen-bonded Turntrans-61.6-16.5-170.4-70.6-12.1000115.2
139N77.2Confident85Confident89 Ų8959.8 Ų59.848%0.47633%0.331SS..THydrogen-bonded Turntrans-93.70.3178.163.2-20.3000113.2P137P137-N139 WeakPolarHBondContact CB-OD1 3.45Å; P137-N139 WeakPolarHBondContact CG-OD1 3.09Å; P137-N139 PolarHBondContact O-N 3.14Å
140T78.4Confident86Confident8 Ų862.4 Ų62.45%0.04935%0.347CS..EExtended strand (participates in β ladder)trans-124.1134.7-174.8-51.80000110.1I29 N30 T31 L136 P137I29-T140 HydrophobicContact CG2-CG2 3.27Å; N30-T140 WeakPolarHBondContact O-CA 3.49Å; N30-T140 WeakPolarHBondContact O-CG2 3.45Å; T31-T140 HydrophobicContact CG2-CG2 3.6Å; T31-T140 WeakPolarHBondContact CG2-OG1 3.47Å; L136-T140 HydrophobicContact CD2-CG2 3.49Å; L136-T140 VanDerWaalsContact CD2-CG2 3.49Å; P137-T140 PolarHBondContact O-N 3.12Å
141V84.9Confident87.1Confident89 Ų8963.1 Ų63.154%0.53934%0.338SS..EExtended strand (participates in β ladder)trans-124.8153.6179.5-60.90000110.7N30N30-V141 HydrophobicContact CB-CG2 3.86Å; N30-V141 PolarHBondContact N-O 2.74Å; N30-V141 PolarHBondContact O-N 3.05Å
142V86.3Confident87.8Confident62 Ų6262.3 Ų62.338%0.37633%0.33SS..EExtended strand (participates in β ladder)trans-67.2138.3170.2-670000109.8L136 Y146L136-V142 HydrophobicContact CD1-CG1 3.66Å; V142-Y146 HydrophobicContact CB-CD1 3.94Å; V142-Y146 HydrophobicContact CB-CG 4.43Å; V142-Y146 HydrophobicContact CG1-CD1 3.94Å; V142-Y146 HydrophobicContact CG1-CE1 4.33Å; V142-Y146 HydrophobicContact CG1-CG 4.48Å; V142-Y146 HydrophobicContact CG2-CD1 4.3Å
143G86.5Confident88.4Confident2 Ų257.2 Ų57.22%0.02131%0.307CS..  trans-86.6175.5179.100000113.2D27 W28 S145 Y146D27-G143 CarbonylContact O-C 3.57Å; D27-G143 WeakPolarHBondContact O-CA 3.35Å; D27-G143 VanDerWaalsContact OD1-CA 3.31Å; D27-G143 WeakPolarHBondContact OD1-CA 3.25Å; W28-G143 PolarHBondContact O-N 3.46Å; G143-S145 VanDerWaalsContact C-N 3.31Å; G143-S145 PolarHBondContact O-N 2.9Å; G143-Y146 PolarHBondContact O-N 2.75Å
144S88.1Confident88.9Confident60 Ų6059.6 Ų59.642%0.4231%0.31SS..Hα-helixtrans-63.7-32.1-177.362.80000113.5D27 Y146 V147 L148D27-S144 PolarHBondContact O-N 2.92Å; D27-S144 VanDerWaalsContact O-N 3.16Å; D27-S144 VanDerWaalsContact OD2-CB 3.27Å; D27-S144 WeakPolarHBondContact OD2-CB 3.29Å; D27-S144 PolarHBondContact OD2-N 3.3Å; D27-S144 PolarHBondContact OD2-OG 2.97Å; S144-Y146 VanDerWaalsContact C-N 3.32Å; S144-Y146 PolarHBondContact O-N 2.95Å; S144-V147 WeakPolarHBondContact O-CB 3.37Å; S144-V147 PolarHBondContact O-N 2.84Å; S144-V147 VanDerWaalsContact O-N 3.15Å; S144-L148 WeakPolarHBondContact O-CG 3.33Å; S144-L148 PolarHBondContact O-N 2.85Å
145S90.2Very high89.4Confident0 Ų055.4 Ų55.40%030%0.295CS..Hα-helixtrans-62.3-40.1177.7-61.60000112.1S22 N25 D27 G143 V147 L148 F149S22-S145 WeakPolarHBondContact CB-O 3.42Å; S22-S145 WeakPolarHBondContact O-CB 3.21Å; S22-S145 PolarHBondContact O-OG 2.96Å; N25-S145 WeakPolarHBondContact CB-OG 3.38Å; N25-S145 PolarHBondContact O-OG 3.27Å; D27-S145 PolarHBondContact N-OG 3.37Å; D27-S145 WeakPolarHBondContact O-CB 3.46Å; D27-S145 PolarHBondContact O-N 3.24Å; D27-S145 PolarHBondContact O-OG 3.3Å; G143-S145 VanDerWaalsContact C-N 3.31Å; G143-S145 PolarHBondContact O-N 2.9Å; S145-V147 VanDerWaalsContact C-N 3.3Å; S145-V147 PolarHBondContact O-N 2.96Å; S145-L148 PolarHBondContact O-N 3.03Å; S145-F149 PolarHBondContact O-N 2.9Å
146Y90.4Very high89.8Confident47 Ų4749.2 Ų49.218%0.18427%0.268CS..Hα-helixtrans-64.3-38.4176.5-177.1-104.5000111.2W28 F120 V142 G143 S144 F149 V150W28-Y146 AromaticContact CE3-CD2 3.9Å; W28-Y146 HydrophobicContact CE3-CD2 3.9Å; W28-Y146 AromaticContact CZ3-CD2 3.85Å; W28-Y146 HydrophobicContact CZ3-CD2 3.85Å; F120-Y146 AromaticContact CD1-CD2 3.75Å; F120-Y146 HydrophobicContact CD1-CD2 3.75Å; F120-Y146 AromaticContact CD1-CE2 3.51Å; F120-Y146 HydrophobicContact CD1-CE2 3.51Å; F120-Y146 AromaticContact CE1-CD2 3.57Å; F120-Y146 HydrophobicContact CE1-CD2 3.57Å; F120-Y146 AromaticContact CE1-CE2 3.77Å; F120-Y146 HydrophobicContact CE1-CE2 3.77Å; F120-Y146 HydrophobicContact CE1-CG 4.35Å; F120-Y146 HydrophobicContact CG-CE2 4.48Å; F120-Y146 HydrophobicContact CZ-CD2 4.41Å; V142-Y146 HydrophobicContact CB-CD1 3.94Å; V142-Y146 HydrophobicContact CB-CG 4.43Å; V142-Y146 HydrophobicContact CG1-CD1 3.94Å; V142-Y146 HydrophobicContact CG1-CE1 4.33Å; V142-Y146 HydrophobicContact CG1-CG 4.48Å; V142-Y146 HydrophobicContact CG2-CD1 4.3Å; G143-Y146 PolarHBondContact O-N 2.75Å; S144-Y146 VanDerWaalsContact C-N 3.32Å; S144-Y146 PolarHBondContact O-N 2.95Å; Y146-F149 HydrophobicContact CD2-CD1 4.4Å; Y146-F149 HydrophobicContact CE2-CD1 4.39Å; Y146-F149 WeakPolarHBondContact O-CB 3.34Å; Y146-F149 PolarHBondContact O-N 3.48Å; Y146-V150 HydrophobicContact CD1-CG2 4.24Å; Y146-V150 HydrophobicContact CE1-CG2 3.82Å; Y146-V150 HydrophobicContact CE2-CG2 4.4Å; Y146-V150 WeakPolarHBondContact O-CG2 3.45Å; Y146-V150 PolarHBondContact O-N 2.73Å
147V93.5Very high90.3Very high74 Ų7450.3 Ų50.345%0.44827%0.274SS..Hα-helixtrans-63.3-45.4175-178.90000111.1S144 S145 F149 V150 L151S144-V147 WeakPolarHBondContact O-CB 3.37Å; S144-V147 PolarHBondContact O-N 2.84Å; S144-V147 VanDerWaalsContact O-N 3.15Å; S145-V147 VanDerWaalsContact C-N 3.3Å; S145-V147 PolarHBondContact O-N 2.96Å; V147-F149 VanDerWaalsContact C-N 3.28Å; V147-F149 PolarHBondContact O-N 3.09Å; V147-V150 PolarHBondContact O-N 3.35Å; V147-L151 HydrophobicContact CG1-CD1 4.3Å; V147-L151 WeakPolarHBondContact O-CG 3Å; V147-L151 PolarHBondContact O-N 3.21Å
148L93.6Very high90.8Very high40 Ų4050.3 Ų50.321%0.20927%0.273CS..Hα-helixtrans-59.2-40.8175.5-67.5174.2000111.7F18 A21 S144 S145 L151 S152F18-L148 WeakPolarHBondContact CB-O 3.38Å; F18-L148 HydrophobicContact CD1-CD2 3.88Å; F18-L148 HydrophobicContact CE1-CD2 4.32Å; A21-L148 HydrophobicContact CB-CD1 4.04Å; S144-L148 WeakPolarHBondContact O-CG 3.33Å; S144-L148 PolarHBondContact O-N 2.85Å; S145-L148 PolarHBondContact O-N 3.03Å; L148-L151 PolarHBondContact O-N 2.98Å; L148-S152 PolarHBondContact O-N 3.03Å
149F95.7Very high91.4Very high0 Ų042 Ų420%023%0.229CC..Hα-helixtrans-63.4-45.9175.8173.6-117.2000112.7W28 I75 L113 A116 A117 S145 Y146 V147 L151 S152 I153W28-F149 HydrophobicContact CH2-CB 3.68Å; W28-F149 AromaticContact CH2-CD1 3.82Å; W28-F149 HydrophobicContact CH2-CD1 3.82Å; W28-F149 HydrophobicContact CH2-CD2 4.16Å; W28-F149 HydrophobicContact CH2-CE1 4.48Å; W28-F149 AromaticContact CH2-CG 3.61Å; W28-F149 HydrophobicContact CH2-CG 3.61Å; W28-F149 HydrophobicContact CZ2-CB 4.29Å; W28-F149 HydrophobicContact CZ3-CB 4.23Å; W28-F149 AromaticContact CZ3-CD1 3.89Å; W28-F149 HydrophobicContact CZ3-CD1 3.89Å; W28-F149 HydrophobicContact CZ3-CG 4.15Å; I75-F149 HydrophobicContact CD1-CD2 4.31Å; I75-F149 HydrophobicContact CD1-CE2 4.01Å; I75-F149 HydrophobicContact CD1-CZ 4.23Å; I75-F149 HydrophobicContact CG1-CD2 4.33Å; I75-F149 HydrophobicContact CG1-CE2 3.68Å; I75-F149 HydrophobicContact CG1-CZ 4.01Å; L113-F149 HydrophobicContact CB-CE2 4.36Å; L113-F149 HydrophobicContact CD2-CE2 3.79Å; L113-F149 WeakPolarHBondContact O-CZ 2.92Å; A116-F149 HydrophobicContact CB-CZ 3.77Å; A117-F149 HydrophobicContact CB-CE1 3.83Å; A117-F149 HydrophobicContact CB-CZ 4.29Å; S145-F149 PolarHBondContact O-N 2.9Å; Y146-F149 HydrophobicContact CD2-CD1 4.4Å; Y146-F149 HydrophobicContact CE2-CD1 4.39Å; Y146-F149 WeakPolarHBondContact O-CB 3.34Å; Y146-F149 PolarHBondContact O-N 3.48Å; V147-F149 VanDerWaalsContact C-N 3.28Å; V147-F149 PolarHBondContact O-N 3.09Å; F149-L151 VanDerWaalsContact C-N 3.31Å; F149-L151 PolarHBondContact O-N 3.46Å; F149-S152 VanDerWaalsContact O-CB 3.31Å; F149-S152 WeakPolarHBondContact O-CB 3.28Å; F149-S152 PolarHBondContact O-N 3.36Å; F149-S152 VanDerWaalsContact O-N 3.13Å; F149-I153 HydrophobicContact CD1-CD1 4.41Å; F149-I153 HydrophobicContact CE1-CD1 3.85Å; F149-I153 HydrophobicContact CE2-CD1 4.25Å; F149-I153 HydrophobicContact CE2-CG1 4.44Å; F149-I153 HydrophobicContact CZ-CD1 3.75Å; F149-I153 HydrophobicContact CZ-CG1 4.41Å; F149-I153 PolarHBondContact O-N 2.95Å; F149-I153 VanDerWaalsContact O-N 3.12Å
150V95.6Very high92Very high63 Ų6338.9 Ų38.938%0.38221%0.212SC..Hα-helixtrans-62-39.9175.51730000111.3Y146 V147 S152 I153 F154Y146-V150 HydrophobicContact CD1-CG2 4.24Å; Y146-V150 HydrophobicContact CE1-CG2 3.82Å; Y146-V150 HydrophobicContact CE2-CG2 4.4Å; Y146-V150 WeakPolarHBondContact O-CG2 3.45Å; Y146-V150 PolarHBondContact O-N 2.73Å; V147-V150 PolarHBondContact O-N 3.35Å; V150-S152 VanDerWaalsContact C-N 3.31Å; V150-S152 PolarHBondContact O-N 3.26Å; V150-I153 PolarHBondContact O-N 3.32Å; V150-F154 PolarHBondContact O-N 2.94Å
151L96.2Very high92.6Very high67 Ų6742.2 Ų42.235%0.35123%0.229SC..Hα-helixtrans-62-38.8174.2-72.5174.9000111.8F18 V147 L148 F149 I153 F154 F155F18-L151 HydrophobicContact CD2-CB 4.4Å; V147-L151 HydrophobicContact CG1-CD1 4.3Å; V147-L151 WeakPolarHBondContact O-CG 3Å; V147-L151 PolarHBondContact O-N 3.21Å; L148-L151 PolarHBondContact O-N 2.98Å; F149-L151 VanDerWaalsContact C-N 3.31Å; F149-L151 PolarHBondContact O-N 3.46Å; L151-I153 PolarHBondContact O-N 3.17Å; L151-F154 WeakPolarHBondContact O-CB 3.23Å; L151-F154 PolarHBondContact O-N 3.33Å; L151-F155 HydrophobicContact CB-CD2 4.43Å; L151-F155 HydrophobicContact CB-CE2 4.37Å; L151-F155 WeakPolarHBondContact O-CD2 3.34Å; L151-F155 PolarHBondContact O-N 3.5Å
152S96.9Very high92.7Very high0 Ų041.6 Ų41.60%022%0.219CC..Hα-helixtrans-59.7-45173.9176.70000112.4A15 A19 L148 F149 V150 F154 F155 T156A15-S152 WeakPolarHBondContact CB-O 3.34Å; A15-S152 VanDerWaalsContact O-CB 3.28Å; A15-S152 WeakPolarHBondContact O-CB 3.45Å; A15-S152 PolarHBondContact O-OG 3.28Å; A19-S152 WeakPolarHBondContact CB-OG 3.33Å; L148-S152 PolarHBondContact O-N 3.03Å; F149-S152 VanDerWaalsContact O-CB 3.31Å; F149-S152 WeakPolarHBondContact O-CB 3.28Å; F149-S152 PolarHBondContact O-N 3.36Å; F149-S152 VanDerWaalsContact O-N 3.13Å; V150-S152 VanDerWaalsContact C-N 3.31Å; V150-S152 PolarHBondContact O-N 3.26Å; S152-F154 VanDerWaalsContact C-N 3.33Å; S152-F154 PolarHBondContact O-N 3.21Å; S152-F155 PolarHBondContact O-N 2.98Å; S152-T156 WeakPolarHBondContact O-CB 3.47Å; S152-T156 PolarHBondContact O-N 3.31Å; S152-T156 PolarHBondContact O-OG1 2.86Å
153I96.3Very high92.5Very high18 Ų1839 Ų399%0.09221%0.205CC..Hα-helixtrans-59-48.1174.8-66.3169.1000110.1L113 A117 F149 V150 L151 F155 T156 I157L113-I153 HydrophobicContact CB-CD1 4.4Å; L113-I153 HydrophobicContact CB-CG1 3.78Å; A117-I153 HydrophobicContact CB-CD1 3.64Å; F149-I153 HydrophobicContact CD1-CD1 4.41Å; F149-I153 HydrophobicContact CE1-CD1 3.85Å; F149-I153 HydrophobicContact CE2-CD1 4.25Å; F149-I153 HydrophobicContact CE2-CG1 4.44Å; F149-I153 HydrophobicContact CZ-CD1 3.75Å; F149-I153 HydrophobicContact CZ-CG1 4.41Å; F149-I153 PolarHBondContact O-N 2.95Å; F149-I153 VanDerWaalsContact O-N 3.12Å; V150-I153 PolarHBondContact O-N 3.32Å; L151-I153 PolarHBondContact O-N 3.17Å; I153-F155 PolarHBondContact O-N 3.22Å; I153-T156 WeakPolarHBondContact O-CB 3.37Å; I153-T156 PolarHBondContact O-N 3Å; I153-I157 HydrophobicContact CG2-CD1 3.75Å; I153-I157 HydrophobicContact CG2-CG1 4.41Å; I153-I157 WeakPolarHBondContact O-CG1 3.26Å; I153-I157 PolarHBondContact O-N 3.08Å
154F96.8Very high92Very high116 Ų11640.6 Ų40.651%0.50922%0.22SC..Hα-helixtrans-57.6-50.5179.5177.3-99000111.9V150 L151 S152 T156 I157 V158V150-F154 PolarHBondContact O-N 2.94Å; L151-F154 WeakPolarHBondContact O-CB 3.23Å; L151-F154 PolarHBondContact O-N 3.33Å; S152-F154 VanDerWaalsContact C-N 3.33Å; S152-F154 PolarHBondContact O-N 3.21Å; F154-T156 VanDerWaalsContact C-N 3.3Å; F154-T156 PolarHBondContact O-N 3.12Å; F154-I157 PolarHBondContact O-N 3.46Å; F154-V158 HydrophobicContact CD1-CG2 4.31Å; F154-V158 HydrophobicContact CD2-CG2 4.41Å; F154-V158 HydrophobicContact CE1-CG2 3.91Å; F154-V158 HydrophobicContact CE2-CG2 4.02Å; F154-V158 HydrophobicContact CZ-CG2 3.75Å; F154-V158 WeakPolarHBondContact O-CG2 3.18Å; F154-V158 PolarHBondContact O-N 3.08Å
155F96.4Very high91.1Very high51 Ų5141.8 Ų41.822%0.22422%0.218CC..Hα-helixtrans-64.6-34.3178.6-76.3-59.7000112.7L11 A15 F18 L151 S152 I153 G159L11-F155 HydrophobicContact CD2-CD1 3.6Å; L11-F155 HydrophobicContact CD2-CE1 4.06Å; A15-F155 HydrophobicContact CB-CB 3.84Å; F18-F155 AromaticContact CD2-CD2 3.64Å; F18-F155 HydrophobicContact CD2-CD2 3.64Å; F18-F155 AromaticContact CD2-CE2 3.84Å; F18-F155 HydrophobicContact CD2-CE2 3.84Å; F18-F155 AromaticContact CE2-CD2 3.57Å; F18-F155 HydrophobicContact CE2-CD2 3.57Å; F18-F155 AromaticContact CE2-CE2 3.31Å; F18-F155 HydrophobicContact CE2-CE2 3.31Å; F18-F155 HydrophobicContact CE2-CZ 4.28Å; F18-F155 HydrophobicContact CZ-CE2 4.33Å; L151-F155 HydrophobicContact CB-CD2 4.43Å; L151-F155 HydrophobicContact CB-CE2 4.37Å; L151-F155 WeakPolarHBondContact O-CD2 3.34Å; L151-F155 PolarHBondContact O-N 3.5Å; S152-F155 PolarHBondContact O-N 2.98Å; I153-F155 PolarHBondContact O-N 3.22Å; F155-G159 PolarHBondContact O-N 2.95Å
156T95.4Very high89.7Confident0 Ų047 Ų470%025%0.25CC..Hα-helixtrans-62.8-46173.7-57.90000111.3F12 A15 L82 M110 S152 I153 F154 G159 L160F12-T156 HydrophobicContact CD1-CG2 4.5Å; F12-T156 HydrophobicContact CE1-CG2 4.23Å; F12-T156 WeakPolarHBondContact CE1-O 3.33Å; A15-T156 WeakPolarHBondContact CB-OG1 3.44Å; L82-T156 HydrophobicContact CD2-CG2 3.89Å; M110-T156 HydrophobicContact CB-CG2 3.86Å; M110-T156 HydrophobicContact CG-CG2 4.41Å; S152-T156 WeakPolarHBondContact O-CB 3.47Å; S152-T156 PolarHBondContact O-N 3.31Å; S152-T156 PolarHBondContact O-OG1 2.86Å; I153-T156 WeakPolarHBondContact O-CB 3.37Å; I153-T156 PolarHBondContact O-N 3Å; F154-T156 VanDerWaalsContact C-N 3.3Å; F154-T156 PolarHBondContact O-N 3.12Å; T156-G159 PolarHBondContact O-N 3.14Å; T156-L160 HydrophobicContact CG2-CD1 4.27Å; T156-L160 WeakPolarHBondContact O-CB 3.12Å; T156-L160 PolarHBondContact O-N 2.84Å
157I94.6Very high87.7Confident64 Ų6449.1 Ų49.133%0.32827%0.27SS..Hα-helixtrans-62.5-50178.2-68166.6000110.3M110 I153 F154 G159 L160 L161M110-I157 HydrophobicContact CG-CG1 3.95Å; M110-I157 HydrophobicContact SD-CG1 3.73Å; I153-I157 HydrophobicContact CG2-CD1 3.75Å; I153-I157 HydrophobicContact CG2-CG1 4.41Å; I153-I157 WeakPolarHBondContact O-CG1 3.26Å; I153-I157 PolarHBondContact O-N 3.08Å; F154-I157 PolarHBondContact O-N 3.46Å; I157-G159 VanDerWaalsContact C-N 3.31Å; I157-G159 PolarHBondContact O-N 3.34Å; I157-L160 WeakPolarHBondContact O-CB 3.38Å; I157-L160 PolarHBondContact O-N 3.41Å; I157-L161 HydrophobicContact CG2-CD1 4.35Å; I157-L161 WeakPolarHBondContact O-CG 3.35Å; I157-L161 PolarHBondContact O-N 3.36Å
158V93.8Very high85.4Confident32 Ų3250.3 Ų50.319%0.19427%0.273CS..Hα-helixtrans-62.4-41.7179.6178.20000110.6L11 F154 L160 L161 F162L11-V158 HydrophobicContact CD1-CG1 3.88Å; F154-V158 HydrophobicContact CD1-CG2 4.31Å; F154-V158 HydrophobicContact CD2-CG2 4.41Å; F154-V158 HydrophobicContact CE1-CG2 3.91Å; F154-V158 HydrophobicContact CE2-CG2 4.02Å; F154-V158 HydrophobicContact CZ-CG2 3.75Å; F154-V158 WeakPolarHBondContact O-CG2 3.18Å; F154-V158 PolarHBondContact O-N 3.08Å; V158-L160 VanDerWaalsContact C-N 3.34Å; V158-L160 PolarHBondContact O-N 2.91Å; V158-L161 PolarHBondContact O-N 3.27Å; V158-F162 HydrophobicContact CG1-CD2 3.82Å; V158-F162 HydrophobicContact CG1-CE2 3.54Å; V158-F162 WeakPolarHBondContact O-CD2 3.25Å; V158-F162 PolarHBondContact O-N 2.84Å
159G92.3Very high83.1Confident0 Ų054.3 Ų54.30%030%0.302CS..Hα-helixtrans-58.7-43.3174.800000112.6S8 F155 T156 I157 F162 A163S8-G159 WeakPolarHBondContact CB-O 3.39Å; F155-G159 PolarHBondContact O-N 2.95Å; T156-G159 PolarHBondContact O-N 3.14Å; I157-G159 VanDerWaalsContact C-N 3.31Å; I157-G159 PolarHBondContact O-N 3.34Å; G159-F162 PolarHBondContact O-N 3.05Å; G159-A163 VanDerWaalsContact O-CB 3.23Å; G159-A163 WeakPolarHBondContact O-CB 3.5Å; G159-A163 PolarHBondContact O-N 2.83Å
160L91.1Very high80.8Confident24 Ų2461.6 Ų61.613%0.12638%0.377CS..Hα-helixtrans-64.5-40.1175.6-86.1165.9000113.1F12 A106 F107 M110 T156 I157 V158 A163 G164F12-L160 HydrophobicContact CE1-CG 3.98Å; F12-L160 HydrophobicContact CZ-CB 4.43Å; F12-L160 HydrophobicContact CZ-CD2 4.17Å; F12-L160 HydrophobicContact CZ-CG 3.87Å; A106-L160 HydrophobicContact CB-CD2 3.7Å; A106-L160 HydrophobicContact CB-CG 4.17Å; F107-L160 HydrophobicContact CB-CD2 4.26Å; M110-L160 HydrophobicContact CB-CD1 3.7Å; M110-L160 HydrophobicContact CE-CD1 4.3Å; M110-L160 HydrophobicContact CG-CD1 4.11Å; M110-L160 HydrophobicContact SD-CD1 3.54Å; M110-L160 VanDerWaalsContact SD-CD1 3.54Å; T156-L160 HydrophobicContact CG2-CD1 4.27Å; T156-L160 WeakPolarHBondContact O-CB 3.12Å; T156-L160 PolarHBondContact O-N 2.84Å; I157-L160 WeakPolarHBondContact O-CB 3.38Å; I157-L160 PolarHBondContact O-N 3.41Å; V158-L160 VanDerWaalsContact C-N 3.34Å; V158-L160 PolarHBondContact O-N 2.91Å; L160-A163 PolarHBondContact O-N 3.03Å; L160-G164 PolarHBondContact O-N 3.03Å
161L89.7Confident80.1Confident77 Ų7761.6 Ų61.640%0.40338%0.377SS..Hα-helixtrans-61.7-45.5177.5-70.6172.2000111.5I157 V158 K165I157-L161 HydrophobicContact CG2-CD1 4.35Å; I157-L161 WeakPolarHBondContact O-CG 3.35Å; I157-L161 PolarHBondContact O-N 3.36Å; V158-L161 PolarHBondContact O-N 3.27Å; L161-K165 PolarHBondContact O-N 3.27Å
162F86.8Confident79.2Confident77 Ų7761.3 Ų61.334%0.33838%0.378SS..Hα-helixtrans-67.2-42.1174.8-75.1-63.3000112.1L4 I7 L11 V158 G159 G164 K165L4-F162 HydrophobicContact CD2-CD1 3.98Å; L4-F162 HydrophobicContact CD2-CE1 4.46Å; I7-F162 HydrophobicContact CG2-CD2 4.31Å; L11-F162 HydrophobicContact CD1-CD2 3.66Å; L11-F162 HydrophobicContact CD1-CE2 4.13Å; V158-F162 HydrophobicContact CG1-CD2 3.82Å; V158-F162 HydrophobicContact CG1-CE2 3.54Å; V158-F162 WeakPolarHBondContact O-CD2 3.25Å; V158-F162 PolarHBondContact O-N 2.84Å; G159-F162 PolarHBondContact O-N 3.05Å; F162-G164 VanDerWaalsContact C-N 3.35Å; F162-G164 PolarHBondContact O-N 3.3Å; F162-K165 PolarHBondContact O-N 3.44Å
163A83.3Confident78.2Confident8 Ų864.7 Ų64.77%0.06640%0.399CS..Hα-helixtrans-62.8-42.9177.800000111F12 R103 G159 L160 K165F12-A163 HydrophobicContact CE2-CB 4.17Å; F12-A163 HydrophobicContact CZ-CB 4.4Å; R103-A163 HydrophobicContact CG-CB 4.18Å; R103-A163 PolarHBondContact NE-O 3.33Å; R103-A163 PolarHBondContact NH2-O 2.97Å; G159-A163 VanDerWaalsContact O-CB 3.23Å; G159-A163 WeakPolarHBondContact O-CB 3.5Å; G159-A163 PolarHBondContact O-N 2.83Å; L160-A163 PolarHBondContact O-N 3.03Å; A163-K165 PolarHBondContact O-N 2.87Å
164G75Confident77.2Confident34 Ų3467.4 Ų67.435%0.35142%0.417SS..THydrogen-bonded Turntrans-73.3-7.7-178.400000114.9L160 F162 V166L160-G164 PolarHBondContact O-N 3.03Å; F162-G164 VanDerWaalsContact C-N 3.35Å; F162-G164 PolarHBondContact O-N 3.3Å; G164-V166 PolarHBondContact O-N 3.18Å; G164-V166 VanDerWaalsContact O-N 3.1Å
165K70.3Confident76Confident85 Ų8564.4 Ų64.437%0.3741%0.412SS..THydrogen-bonded Turntrans53.123.8-173.7-66.3-173.3162.8124.30113.3D2 L161 F162 A163 C167 L168D2-K165 IonicContact OD2-NZ 2.74Å; D2-K165 PolarHBondContact OD2-NZ 2.79Å; L161-K165 PolarHBondContact O-N 3.27Å; F162-K165 PolarHBondContact O-N 3.44Å; A163-K165 PolarHBondContact O-N 2.87Å; K165-C167 PolarHBondContact O-N 3.21Å; K165-C167 VanDerWaalsContact O-N 3.08Å; K165-L168 PolarHBondContact O-N 2.61Å; K165-L168 VanDerWaalsContact O-N 3.14Å
166V59.2Low74.6Confident111 Ų11165.3 Ų65.367%0.67342%0.424SS*.THydrogen-bonded Turntrans-62.7-20.7-177-1780000111.6G164G164-V166 PolarHBondContact O-N 3.18Å; G164-V166 VanDerWaalsContact O-N 3.1Å
167C50Low73.1Confident91 Ų9169.9 Ų69.962%0.61546%0.455SS*.THydrogen-bonded Turntrans-97.67.9-179.5-55.90000115.1K165K165-C167 PolarHBondContact O-N 3.21Å; K165-C167 VanDerWaalsContact O-N 3.08Å
168L44.4Very low71.4Confident98 Ų9870.4 Ų70.451%0.51346%0.464SS..SBendtrans-124.7131.4179-73.2167.9000111.7L4 K165L4-L168 HydrophobicContact CD1-CD1 3.21Å; L4-L168 HydrophobicContact CG-CD1 4.46Å; K165-L168 PolarHBondContact O-N 2.61Å; K165-L168 VanDerWaalsContact O-N 3.14Å
169P46Very low69.6Low125 Ų12573.6 Ų73.681%0.81249%0.487SS*.  trans-64.5136.5168.127.8-30.7000109.2
170G47.1Very low67.5Low153 Ų15380.3 Ų80.3100%1.57753%0.531SS*.  trans-67.90-177.400000114.4

Retrieved 170 of 170 residues in 198.8 ms (Link to these results)

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