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Gamma-secretase subunit APH-1

Potential subunit of the gamma-secretase complex, an endoprotease complex that catalyzes the intramembrane cleavage of integral proteins such as Notch receptors.

AlphaFold DB (Q96BI3), UniProt , Accession A0A096N930, Species PAPAN (Papio anubis, Olive baboon), Gene APH1A, Length 265 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
1M68.7Low90.4Very high210 Ų21071.5 Ų71.5100%1.03441%0.414SS*.  0-40.20-66.9-173.878.900112.6A3 A4 V5M1-A3 PolarHBondContact O-N 3.13Å; M1-A4 PolarHBondContact O-N 2.87Å; M1-A4 VanDerWaalsContact O-N 3.14Å; M1-V5 PolarHBondContact O-N 3.26Å
2G83.1Confident91.1Very high22 Ų2269.1 Ų69.123%0.22740%0.402CS..Hα-helixtrans-52.6-44.5-179.900000115.6A4 V5 F6 A141G2-A4 VanDerWaalsContact C-N 3.34Å; G2-A4 PolarHBondContact O-N 2.7Å; G2-V5 PolarHBondContact O-N 3.37Å; G2-F6 WeakPolarHBondContact O-CB 3.49Å; G2-F6 PolarHBondContact O-N 3.22Å; G2-A141 CarbonylContact C-O 3.43Å; G2-A141 WeakPolarHBondContact CA-O 3.4Å
3A88.2Confident91.6Very high54 Ų5463.8 Ų63.845%0.44637%0.371SS..Hα-helixtrans-59.4-39.4177.900000113.8M1 F6 F7M1-A3 PolarHBondContact O-N 3.13Å; A3-F6 PolarHBondContact O-N 3.31Å; A3-F7 WeakPolarHBondContact O-CD2 3.35Å; A3-F7 PolarHBondContact O-N 3.43Å
4A90.6Very high92.1Very high74 Ų7461.9 Ų61.961%0.61236%0.356SS*.Hα-helixtrans-68.1-40.6178.300000111.5M1 G2 G8M1-A4 PolarHBondContact O-N 2.87Å; M1-A4 VanDerWaalsContact O-N 3.14Å; G2-A4 VanDerWaalsContact C-N 3.34Å; G2-A4 PolarHBondContact O-N 2.7Å; A4-G8 PolarHBondContact O-N 2.99Å
5V90.9Very high92.5Very high56 Ų5659.7 Ų59.734%0.33935%0.352SS..Hα-helixtrans-64.2-45.6174.1177.70000110.3M1 G2 G8 C9 A141 F157M1-V5 PolarHBondContact O-N 3.26Å; G2-V5 PolarHBondContact O-N 3.37Å; V5-G8 PolarHBondContact O-N 2.97Å; V5-C9 VanDerWaalsContact O-CB 3.23Å; V5-C9 WeakPolarHBondContact O-CB 3.39Å; V5-C9 PolarHBondContact O-N 3.22Å; V5-C9 PolarHBondContact O-SG 3.35Å; V5-A141 HydrophobicContact CG1-CB 4.17Å; V5-F157 HydrophobicContact CG1-CB 4.01Å; V5-F157 HydrophobicContact CG1-CD2 3.94Å; V5-F157 HydrophobicContact CG1-CG 4.16Å
6F92.8Very high92.9Very high48 Ų4859.6 Ų59.621%0.21135%0.353CS..Hα-helixtrans-55.6-57.1176.8174.3-92.9000111.8G2 A3 C9 T10 L138 L142G2-F6 WeakPolarHBondContact O-CB 3.49Å; G2-F6 PolarHBondContact O-N 3.22Å; A3-F6 PolarHBondContact O-N 3.31Å; F6-C9 PolarHBondContact O-N 3.15Å; F6-T10 VanDerWaalsContact O-CB 3.28Å; F6-T10 WeakPolarHBondContact O-CB 3.41Å; F6-T10 PolarHBondContact O-N 3.03Å; F6-T10 PolarHBondContact O-OG1 3.03Å; F6-L138 HydrophobicContact CD2-CB 3.93Å; F6-L138 VanDerWaalsContact CD2-O 3.31Å; F6-L138 WeakPolarHBondContact CD2-O 3.4Å; F6-L138 HydrophobicContact CE2-CB 3.81Å; F6-L142 HydrophobicContact CB-CD2 3.55Å; F6-L142 HydrophobicContact CB-CG 3.97Å; F6-L142 HydrophobicContact CD1-CD2 4.19Å; F6-L142 HydrophobicContact CD2-CD1 3.74Å; F6-L142 HydrophobicContact CD2-CD2 3.99Å; F6-L142 HydrophobicContact CD2-CG 3.6Å; F6-L142 HydrophobicContact CE2-CD1 3.83Å; F6-L142 HydrophobicContact CE2-CG 4.23Å; F6-L142 HydrophobicContact CG-CD1 4.17Å; F6-L142 HydrophobicContact CG-CD2 3.64Å; F6-L142 HydrophobicContact CG-CG 3.82Å; F6-L142 HydrophobicContact CZ-CD1 4.37Å
7F94.6Very high93.2Very high111 Ų11156.2 Ų56.249%0.48733%0.334SS..Hα-helixtrans-67.4-39.9-178.9-74.3-63.1000111.9A3 T10 F11A3-F7 WeakPolarHBondContact O-CD2 3.35Å; A3-F7 PolarHBondContact O-N 3.43Å; F7-T10 PolarHBondContact O-N 3.16Å; F7-F11 HydrophobicContact CB-CE2 4.2Å; F7-F11 HydrophobicContact CD1-CZ 4.33Å; F7-F11 WeakPolarHBondContact O-CB 3.42Å; F7-F11 VanDerWaalsContact O-CD2 3.25Å; F7-F11 WeakPolarHBondContact O-CD2 3.31Å; F7-F11 VanDerWaalsContact O-CG 3.27Å; F7-F11 WeakPolarHBondContact O-CG 3.26Å; F7-F11 PolarHBondContact O-N 3.23Å
8G95.2Very high93.4Very high35 Ų3559.8 Ų59.836%0.36135%0.345SS..Hα-helixtrans-58.4-50.8175.700000112.1A4 V5 F11 V12A4-G8 PolarHBondContact O-N 2.99Å; V5-G8 PolarHBondContact O-N 2.97Å; G8-F11 PolarHBondContact O-N 2.91Å; G8-V12 VanDerWaalsContact O-CG2 3.32Å; G8-V12 WeakPolarHBondContact O-CG2 3.19Å; G8-V12 PolarHBondContact O-N 3.47Å
9C95.7Very high93.7Very high7 Ų758.9 Ų58.95%0.04735%0.345CS..Hα-helixtrans-66.2-38.9178.1-66.30000111.9V5 F6 F11 V12 A13 L138 A161V5-C9 VanDerWaalsContact O-CB 3.23Å; V5-C9 WeakPolarHBondContact O-CB 3.39Å; V5-C9 PolarHBondContact O-N 3.22Å; V5-C9 PolarHBondContact O-SG 3.35Å; F6-C9 PolarHBondContact O-N 3.15Å; C9-F11 PolarHBondContact O-N 2.83Å; C9-V12 PolarHBondContact O-N 2.87Å; C9-A13 VanDerWaalsContact O-CB 3.32Å; C9-A13 WeakPolarHBondContact O-CB 3.48Å; C9-A13 PolarHBondContact O-N 3.25Å; C9-L138 HydrophobicContact CB-CD2 3.6Å; C9-A161 HydrophobicContact CB-CB 3.84Å; C9-A161 WeakPolarHBondContact O-CB 3.33Å
10T97.4Very high93.9Very high30 Ų3058.7 Ų58.718%0.18434%0.342CS..Hα-helixtrans-59.9-46.5175.6-59.70000111.2F6 F7 A13 F14 L138F6-T10 VanDerWaalsContact O-CB 3.28Å; F6-T10 WeakPolarHBondContact O-CB 3.41Å; F6-T10 PolarHBondContact O-N 3.03Å; F6-T10 PolarHBondContact O-OG1 3.03Å; F7-T10 PolarHBondContact O-N 3.16Å; T10-A13 PolarHBondContact O-N 3.39Å; T10-F14 HydrophobicContact CG2-CD2 4.24Å; T10-F14 PolarHBondContact O-N 3.27Å; T10-L138 WeakPolarHBondContact OG1-CD1 3.34Å
11F97.8Very high94.1Very high139 Ų13958.3 Ų58.361%0.6134%0.336SS*.Hα-helixtrans-71.8-32.7179.9-64.1-31.3000113.1F7 G8 C9 G15F7-F11 HydrophobicContact CB-CE2 4.2Å; F7-F11 HydrophobicContact CD1-CZ 4.33Å; F7-F11 WeakPolarHBondContact O-CB 3.42Å; F7-F11 VanDerWaalsContact O-CD2 3.25Å; F7-F11 WeakPolarHBondContact O-CD2 3.31Å; F7-F11 VanDerWaalsContact O-CG 3.27Å; F7-F11 WeakPolarHBondContact O-CG 3.26Å; F7-F11 PolarHBondContact O-N 3.23Å; G8-F11 PolarHBondContact O-N 2.91Å; C9-F11 PolarHBondContact O-N 2.83Å; F11-G15 WeakPolarHBondContact O-CA 3.3Å; F11-G15 PolarHBondContact O-N 3.49Å
12V98Very high95.5Very high43 Ų4352.7 Ų52.726%0.26131%0.31SS..Hα-helixtrans-63.7-48.2171.1169.60000110.5G8 C9 A161 F162 A165G8-V12 VanDerWaalsContact O-CG2 3.32Å; G8-V12 WeakPolarHBondContact O-CG2 3.19Å; G8-V12 PolarHBondContact O-N 3.47Å; C9-V12 PolarHBondContact O-N 2.87Å; V12-A161 HydrophobicContact CB-CB 4.09Å; V12-A161 HydrophobicContact CG1-CB 3.92Å; V12-F162 HydrophobicContact CG1-CD1 3.69Å; V12-F162 HydrophobicContact CG1-CD2 4.22Å; V12-F162 HydrophobicContact CG1-CE1 3.78Å; V12-F162 HydrophobicContact CG1-CE2 4.29Å; V12-F162 HydrophobicContact CG1-CG 3.93Å; V12-F162 HydrophobicContact CG1-CZ 4.08Å; V12-A165 WeakPolarHBondContact O-CB 3.37Å
13A98.3Very high96.2Very high1 Ų158.4 Ų58.41%0.00833%0.334CS..Hα-helixtrans-66.1-51.1-177.800000112.7C9 T10 A161 T164 I168C9-A13 VanDerWaalsContact O-CB 3.32Å; C9-A13 WeakPolarHBondContact O-CB 3.48Å; C9-A13 PolarHBondContact O-N 3.25Å; T10-A13 PolarHBondContact O-N 3.39Å; A13-A161 WeakPolarHBondContact CA-O 3.29Å; A13-A161 HydrophobicContact CB-CB 4.33Å; A13-T164 HydrophobicContact CB-CG2 3.93Å; A13-I168 VanDerWaalsContact O-CD1 3.27Å; A13-I168 WeakPolarHBondContact O-CD1 3.36Å
14F98.4Very high96.6Very high37 Ų3757.7 Ų57.716%0.16232%0.324CS..Hα-helixtrans-106-13.6-169.2-64.9-76.7000114.5T10 A17 F18 V131 V134 L138 T164 I168T10-F14 HydrophobicContact CG2-CD2 4.24Å; T10-F14 PolarHBondContact O-N 3.27Å; F14-A17 PolarHBondContact O-N 2.86Å; F14-A17 VanDerWaalsContact O-N 3.12Å; F14-F18 VanDerWaalsContact O-CB 3.29Å; F14-F18 WeakPolarHBondContact O-CB 3.31Å; F14-F18 PolarHBondContact O-N 2.68Å; F14-V131 HydrophobicContact CE1-CG2 3.75Å; F14-V131 HydrophobicContact CZ-CB 4.49Å; F14-V131 HydrophobicContact CZ-CG2 3.89Å; F14-V134 HydrophobicContact CE2-CG1 3.65Å; F14-V134 HydrophobicContact CZ-CG1 3.84Å; F14-L138 HydrophobicContact CE2-CD1 4.43Å; F14-T164 HydrophobicContact CZ-CG2 4.47Å; F14-I168 HydrophobicContact CD1-CD1 3.86Å; F14-I168 HydrophobicContact CE1-CD1 3.9Å
15G98.2Very high96.9Very high28 Ų2854.1 Ų54.129%0.28930%0.295SS..Hα-helixtrans-52.1-52.6-175.800000113.8F11 A17 F18 A19F11-G15 WeakPolarHBondContact O-CA 3.3Å; F11-G15 PolarHBondContact O-N 3.49Å; G15-A17 PolarHBondContact O-N 3.02Å; G15-F18 PolarHBondContact O-N 3.08Å; G15-A19 WeakPolarHBondContact O-CB 3.49Å; G15-A19 PolarHBondContact O-N 3.45Å
16P97.9Very high97.2Very high58 Ų5853.7 Ų53.738%0.37730%0.297SS..Hα-helixtrans-58.6-45.2176.3-25.635.1000113A19 L20 L169P16-A19 PolarHBondContact O-N 2.8Å; P16-L20 WeakPolarHBondContact O-CB 3.43Å; P16-L20 WeakPolarHBondContact O-CG 3.48Å; P16-L20 PolarHBondContact O-N 3.47Å; P16-L169 HydrophobicContact CB-CD2 4.48Å
17A98.2Very high97.3Very high2 Ų255.2 Ų55.22%0.01733%0.326CS..Hα-helixtrans-68.5-37.2-178.100000112.5F14 G15 L20 F21 L123 I127 I168F14-A17 PolarHBondContact O-N 2.86Å; F14-A17 VanDerWaalsContact O-N 3.12Å; G15-A17 PolarHBondContact O-N 3.02Å; A17-L20 WeakPolarHBondContact O-CB 3.43Å; A17-L20 PolarHBondContact O-N 3.36Å; A17-F21 WeakPolarHBondContact O-CB 3.45Å; A17-F21 PolarHBondContact O-N 3.29Å; A17-L123 HydrophobicContact CB-CD1 4.2Å; A17-I127 HydrophobicContact CB-CD1 4.41Å; A17-I127 HydrophobicContact CB-CG1 3.95Å; A17-I168 HydrophobicContact CB-CG2 3.58Å
18F98Very high97.4Very high122 Ų12251.9 Ų51.954%0.53531%0.314SS..Hα-helixtrans-67-42.2175.6-173.4-114.1000111.3F14 G15 F21 L22F14-F18 VanDerWaalsContact O-CB 3.29Å; F14-F18 WeakPolarHBondContact O-CB 3.31Å; F14-F18 PolarHBondContact O-N 2.68Å; G15-F18 PolarHBondContact O-N 3.08Å; F18-F21 WeakPolarHBondContact O-CB 3.47Å; F18-F21 PolarHBondContact O-N 3.25Å; F18-L22 HydrophobicContact CD1-CD1 3.9Å; F18-L22 HydrophobicContact CD1-CG 4.43Å; F18-L22 HydrophobicContact CE1-CD1 3.44Å; F18-L22 VanDerWaalsContact CE1-CD1 3.44Å; F18-L22 HydrophobicContact CE1-CG 4.13Å; F18-L22 HydrophobicContact CE2-CD1 4.47Å; F18-L22 HydrophobicContact CE2-CD2 4.38Å; F18-L22 HydrophobicContact CE2-CG 4.32Å; F18-L22 HydrophobicContact CZ-CD1 3.77Å; F18-L22 HydrophobicContact CZ-CD2 4.14Å; F18-L22 HydrophobicContact CZ-CG 4.06Å; F18-L22 WeakPolarHBondContact O-CG 3.33Å; F18-L22 PolarHBondContact O-N 3.09Å
19A98.4Very high97.4Very high43 Ų4354.9 Ų54.936%0.35533%0.326SS..Hα-helixtrans-60.7-45.917300000111.6G15 P16 F21 L22 I23G15-A19 WeakPolarHBondContact O-CB 3.49Å; G15-A19 PolarHBondContact O-N 3.45Å; P16-A19 PolarHBondContact O-N 2.8Å; A19-F21 VanDerWaalsContact C-N 3.34Å; A19-F21 PolarHBondContact O-N 2.88Å; A19-L22 PolarHBondContact O-N 3.36Å; A19-I23 WeakPolarHBondContact O-CB 3.46Å; A19-I23 VanDerWaalsContact O-CG1 3.27Å; A19-I23 WeakPolarHBondContact O-CG1 3.44Å; A19-I23 PolarHBondContact O-N 3.29Å
20L97.9Very high97.4Very high53 Ų5356.6 Ų56.628%0.27734%0.335SS..Hα-helixtrans-57.4-46.5174-76.1-176.6000111.6P16 A17 T24 Y119 L123P16-L20 WeakPolarHBondContact O-CB 3.43Å; P16-L20 WeakPolarHBondContact O-CG 3.48Å; P16-L20 PolarHBondContact O-N 3.47Å; A17-L20 WeakPolarHBondContact O-CB 3.43Å; A17-L20 PolarHBondContact O-N 3.36Å; L20-T24 WeakPolarHBondContact O-CB 3.4Å; L20-T24 PolarHBondContact O-N 3.47Å; L20-T24 PolarHBondContact O-OG1 3.48Å; L20-Y119 VanDerWaalsContact CB-OH 3.31Å; L20-Y119 WeakPolarHBondContact CB-OH 3.49Å; L20-Y119 HydrophobicContact CD1-CE2 4.43Å; L20-Y119 WeakPolarHBondContact CD2-OH 3.23Å; L20-L123 HydrophobicContact CB-CD1 4.35Å; L20-L123 HydrophobicContact CB-CD2 4.22Å; L20-L123 HydrophobicContact CD1-CD1 4.24Å
21F98.2Very high97.4Very high51 Ų5158 Ų5822%0.22434%0.337CS..Hα-helixtrans-58.8-51.9176.8169.3-100.1000112.3A17 F18 A19 I23 V25 A26 L35A17-F21 WeakPolarHBondContact O-CB 3.45Å; A17-F21 PolarHBondContact O-N 3.29Å; F18-F21 WeakPolarHBondContact O-CB 3.47Å; F18-F21 PolarHBondContact O-N 3.25Å; A19-F21 VanDerWaalsContact C-N 3.34Å; A19-F21 PolarHBondContact O-N 2.88Å; F21-I23 PolarHBondContact O-N 3.43Å; F21-V25 HydrophobicContact CD2-CB 3.75Å; F21-V25 HydrophobicContact CD2-CG1 3.83Å; F21-V25 HydrophobicContact CE2-CB 4.17Å; F21-V25 HydrophobicContact CE2-CG1 3.85Å; F21-V25 WeakPolarHBondContact O-CA 3.27Å; F21-V25 WeakPolarHBondContact O-CB 3.42Å; F21-V25 PolarHBondContact O-N 3.42Å; F21-A26 HydrophobicContact CD1-CB 4.39Å; F21-A26 HydrophobicContact CE1-CB 3.92Å; F21-A26 HydrophobicContact CZ-CB 4Å; F21-A26 PolarHBondContact O-N 2.88Å; F21-L35 HydrophobicContact CD2-CD1 4.31Å; F21-L35 HydrophobicContact CE2-CD2 4.47Å
22L98.2Very high97.4Very high92 Ų9253.6 Ų53.648%0.48232%0.322SS..Hα-helixtrans-61.6-42.6-178.2-71179.2000112.4F18 A19F18-L22 HydrophobicContact CD1-CD1 3.9Å; F18-L22 HydrophobicContact CD1-CG 4.43Å; F18-L22 HydrophobicContact CE1-CD1 3.44Å; F18-L22 VanDerWaalsContact CE1-CD1 3.44Å; F18-L22 HydrophobicContact CE1-CG 4.13Å; F18-L22 HydrophobicContact CE2-CD1 4.47Å; F18-L22 HydrophobicContact CE2-CD2 4.38Å; F18-L22 HydrophobicContact CE2-CG 4.32Å; F18-L22 HydrophobicContact CZ-CD1 3.77Å; F18-L22 HydrophobicContact CZ-CD2 4.14Å; F18-L22 HydrophobicContact CZ-CG 4.06Å; F18-L22 WeakPolarHBondContact O-CG 3.33Å; F18-L22 PolarHBondContact O-N 3.09Å; A19-L22 PolarHBondContact O-N 3.36Å
23I97Very high97.4Very high143 Ų14356.9 Ų56.973%0.73334%0.337SS*.Hα-helixtrans-77.3-34.2-174.9-65.3168.1000111.7A19 F21A19-I23 WeakPolarHBondContact O-CB 3.46Å; A19-I23 VanDerWaalsContact O-CG1 3.27Å; A19-I23 WeakPolarHBondContact O-CG1 3.44Å; A19-I23 PolarHBondContact O-N 3.29Å; F21-I23 PolarHBondContact O-N 3.43Å
24T96.5Very high97.3Very high38 Ų3857.3 Ų57.323%0.23334%0.338CS..Hα-helixtrans-118.6-22.6-165.772.10000115.2L20 R31 Y119L20-T24 WeakPolarHBondContact O-CB 3.4Å; L20-T24 PolarHBondContact O-N 3.47Å; L20-T24 PolarHBondContact O-OG1 3.48Å; T24-R31 VanDerWaalsContact O-CD 3.22Å; T24-R31 WeakPolarHBondContact O-CD 3.42Å; T24-R31 PolarHBondContact O-NH1 3.42Å; T24-Y119 HydrophobicContact CG2-CE1 4.34Å; T24-Y119 VanDerWaalsContact OG1-CE1 3.23Å; T24-Y119 WeakPolarHBondContact OG1-CE1 3.31Å; T24-Y119 PolarHBondContact OG1-OH 2.96Å
25V97.6Very high97.3Very high0 Ų056.6 Ų56.60%034%0.336CS..THydrogen-bonded Turntrans-113.8-46.7-172.71800000111.7F21 G27 D28 R31 V32 L35 V120 L123F21-V25 HydrophobicContact CD2-CB 3.75Å; F21-V25 HydrophobicContact CD2-CG1 3.83Å; F21-V25 HydrophobicContact CE2-CB 4.17Å; F21-V25 HydrophobicContact CE2-CG1 3.85Å; F21-V25 WeakPolarHBondContact O-CA 3.27Å; F21-V25 WeakPolarHBondContact O-CB 3.42Å; F21-V25 PolarHBondContact O-N 3.42Å; V25-G27 PolarHBondContact O-N 3.35Å; V25-G27 VanDerWaalsContact O-N 3.07Å; V25-D28 PolarHBondContact O-N 3.37Å; V25-R31 HydrophobicContact CB-CB 4.43Å; V25-R31 HydrophobicContact CG1-CB 3.86Å; V25-V32 HydrophobicContact CG1-CG2 4.06Å; V25-L35 HydrophobicContact CG1-CB 4.3Å; V25-L35 HydrophobicContact CG1-CD1 4.23Å; V25-L35 HydrophobicContact CG2-CD1 4.39Å; V25-V120 HydrophobicContact CG2-CG1 4.38Å; V25-V120 HydrophobicContact CG2-CG2 4.06Å; V25-L123 HydrophobicContact CG2-CD2 4.06Å
26A97.1Very high97.3Very high47 Ų4759.6 Ų59.639%0.38835%0.349SS..THydrogen-bonded Turntrans-58.9-28.6-167.600000114.7F21F21-A26 HydrophobicContact CD1-CB 4.39Å; F21-A26 HydrophobicContact CE1-CB 3.92Å; F21-A26 HydrophobicContact CZ-CB 4Å; F21-A26 PolarHBondContact O-N 2.88Å
27G95.5Very high97.4Very high80 Ų8058.4 Ų58.483%0.82534%0.344SS*.THydrogen-bonded Turntrans-82.3-3.9179.900000115.7V25V25-G27 PolarHBondContact O-N 3.35Å; V25-G27 VanDerWaalsContact O-N 3.07Å
28D95.2Very high97.4Very high41 Ų4158.3 Ų58.322%0.21934%0.343CS..  trans-130.2108.2-175.8-176.5-16.4000110.5V25 L30 R31 V32V25-D28 PolarHBondContact O-N 3.37Å; D28-L30 PolarHBondContact O-N 2.93Å; D28-L30 WeakPolarHBondContact OD1-CB 3.35Å; D28-L30 PolarHBondContact OD1-N 3.21Å; D28-L30 VanDerWaalsContact OD1-N 3.08Å; D28-R31 HydrophobicContact CB-CB 4.2Å; D28-R31 HydrophobicContact CB-CG 3.91Å; D28-R31 PolarHBondContact O-N 3.46Å; D28-R31 IonicContact OD2-CZ 3.61Å; D28-R31 IonicContact OD2-NE 2.63Å; D28-R31 PolarHBondContact OD2-NE 3.38Å; D28-R31 IonicContact OD2-NH2 3.62Å; D28-R31 PolarHBondContact OD2-NH2 3.07Å; D28-V32 PolarHBondContact O-N 3.16Å; D28-V32 VanDerWaalsContact O-N 3.11Å
29P96.1Very high97.4Very high97 Ų9753.3 Ų53.363%0.6332%0.324SS*.Hα-helixtrans-55.3-34.9-177.8-26.734.6000113.9R31 V32 I33P29-R31 VanDerWaalsContact C-N 3.32Å; P29-R31 PolarHBondContact O-N 3.01Å; P29-V32 PolarHBondContact O-N 2.51Å; P29-I33 WeakPolarHBondContact O-CG1 3.33Å; P29-I33 PolarHBondContact O-N 3.35Å
30L94.8Very high97.4Very high43 Ų4357.4 Ų57.423%0.22533%0.334CS..Hα-helixtrans-65.5-39.9179.5-175.764.6000110.7D28 I33 I34 L101 P111 I112D28-L30 PolarHBondContact O-N 2.93Å; D28-L30 WeakPolarHBondContact OD1-CB 3.35Å; D28-L30 PolarHBondContact OD1-N 3.21Å; D28-L30 VanDerWaalsContact OD1-N 3.08Å; L30-I33 PolarHBondContact O-N 2.97Å; L30-I34 HydrophobicContact CG-CD1 4.18Å; L30-I34 VanDerWaalsContact O-CG1 3.27Å; L30-I34 WeakPolarHBondContact O-CG1 3.43Å; L30-I34 PolarHBondContact O-N 3.18Å; L30-L101 HydrophobicContact CD1-CD1 4.17Å; L30-P111 HydrophobicContact CD2-CB 4.08Å; L30-P111 HydrophobicContact CD2-CG 3.89Å; L30-I112 HydrophobicContact CD2-CB 3.91Å; L30-I112 HydrophobicContact CD2-CG2 3.85Å
31R97.6Very high97.5Very high59 Ų5956.9 Ų56.922%0.22333%0.33CS..Hα-helixtrans-67.9-36.9175.8-61.4179.6-154.1176.68111.5T24 V25 D28 P29 I34 L35 I112 V120T24-R31 VanDerWaalsContact O-CD 3.22Å; T24-R31 WeakPolarHBondContact O-CD 3.42Å; T24-R31 PolarHBondContact O-NH1 3.42Å; V25-R31 HydrophobicContact CB-CB 4.43Å; V25-R31 HydrophobicContact CG1-CB 3.86Å; D28-R31 HydrophobicContact CB-CB 4.2Å; D28-R31 HydrophobicContact CB-CG 3.91Å; D28-R31 PolarHBondContact O-N 3.46Å; D28-R31 IonicContact OD2-CZ 3.61Å; D28-R31 IonicContact OD2-NE 2.63Å; D28-R31 PolarHBondContact OD2-NE 3.38Å; D28-R31 IonicContact OD2-NH2 3.62Å; D28-R31 PolarHBondContact OD2-NH2 3.07Å; P29-R31 VanDerWaalsContact C-N 3.32Å; P29-R31 PolarHBondContact O-N 3.01Å; R31-I34 PolarHBondContact O-N 3.5Å; R31-L35 WeakPolarHBondContact O-CB 3.38Å; R31-L35 PolarHBondContact O-N 3.17Å; R31-I112 HydrophobicContact CG-CD1 3.97Å; R31-V120 HydrophobicContact CB-CG1 4.45Å; R31-V120 HydrophobicContact CB-CG2 4.19Å; R31-V120 HydrophobicContact CG-CG2 4.24Å; R31-V120 WeakPolarHBondContact O-CG1 3.44Å
32V98.2Very high97.5Very high48 Ų4855 Ų5529%0.29132%0.321SS..Hα-helixtrans-62-44.6174.5177.90000110.6V25 D28 P29 L35 V36V25-V32 HydrophobicContact CG1-CG2 4.06Å; D28-V32 PolarHBondContact O-N 3.16Å; D28-V32 VanDerWaalsContact O-N 3.11Å; P29-V32 PolarHBondContact O-N 2.51Å; V32-L35 WeakPolarHBondContact O-CB 3.27Å; V32-L35 PolarHBondContact O-N 3.08Å; V32-V36 WeakPolarHBondContact O-CG2 3.25Å; V32-V36 PolarHBondContact O-N 3.24Å
33I97.2Very high97.5Very high112 Ų11253.9 Ų53.957%0.57432%0.315SS*.Hα-helixtrans-61.8-45.9177-66.6164.5000111P29 L30 L35 V36 A37P29-I33 WeakPolarHBondContact O-CG1 3.33Å; P29-I33 PolarHBondContact O-N 3.35Å; L30-I33 PolarHBondContact O-N 2.97Å; I33-L35 VanDerWaalsContact C-N 3.27Å; I33-L35 PolarHBondContact O-N 3.16Å; I33-V36 PolarHBondContact O-N 2.9Å; I33-A37 VanDerWaalsContact O-CB 3.31Å; I33-A37 WeakPolarHBondContact O-CB 3.37Å; I33-A37 PolarHBondContact O-N 3.31Å
34I97.7Very high97.6Very high9 Ų948.9 Ų48.95%0.04629%0.291CS..Hα-helixtrans-61-37.3175.6-67.6167.9000111L30 R31 G38 Y90 L94 I112 M117 V120L30-I34 HydrophobicContact CG-CD1 4.18Å; L30-I34 VanDerWaalsContact O-CG1 3.27Å; L30-I34 WeakPolarHBondContact O-CG1 3.43Å; L30-I34 PolarHBondContact O-N 3.18Å; R31-I34 PolarHBondContact O-N 3.5Å; I34-G38 PolarHBondContact O-N 3.37Å; I34-Y90 WeakPolarHBondContact CA-OH 3.47Å; I34-Y90 WeakPolarHBondContact CG2-OH 3.44Å; I34-Y90 PolarHBondContact O-OH 3.31Å; I34-L94 HydrophobicContact CD1-CD2 4.4Å; I34-L94 HydrophobicContact CG1-CD2 3.91Å; I34-L94 HydrophobicContact CG2-CD1 4.15Å; I34-L94 HydrophobicContact CG2-CD2 4.15Å; I34-I112 HydrophobicContact CD1-CD1 3.68Å; I34-M117 HydrophobicContact CD1-CG 4.18Å; I34-V120 HydrophobicContact CB-CG1 4.12Å; I34-V120 HydrophobicContact CG2-CB 4.1Å; I34-V120 HydrophobicContact CG2-CG1 3.79Å
35L98.6Very high97.7Very high22 Ų2247 Ų4712%0.11528%0.28CS..Hα-helixtrans-66.6-48.6177.9-174.9125000111.3F21 V25 R31 V32 I33 A37 G38 A39 V120 L123 S124 I127F21-L35 HydrophobicContact CD2-CD1 4.31Å; F21-L35 HydrophobicContact CE2-CD2 4.47Å; V25-L35 HydrophobicContact CG1-CB 4.3Å; V25-L35 HydrophobicContact CG1-CD1 4.23Å; V25-L35 HydrophobicContact CG2-CD1 4.39Å; R31-L35 WeakPolarHBondContact O-CB 3.38Å; R31-L35 PolarHBondContact O-N 3.17Å; V32-L35 WeakPolarHBondContact O-CB 3.27Å; V32-L35 PolarHBondContact O-N 3.08Å; I33-L35 VanDerWaalsContact C-N 3.27Å; I33-L35 PolarHBondContact O-N 3.16Å; L35-A37 PolarHBondContact O-N 3.08Å; L35-G38 PolarHBondContact O-N 2.97Å; L35-A39 PolarHBondContact O-N 3.47Å; L35-V120 HydrophobicContact CB-CG1 3.85Å; L35-V120 HydrophobicContact CD1-CG1 4.38Å; L35-L123 HydrophobicContact CD1-CD2 4.11Å; L35-L123 HydrophobicContact CD1-CG 4.22Å; L35-S124 WeakPolarHBondContact O-CB 3.38Å; L35-I127 HydrophobicContact CD1-CD1 4.28Å
36V98.5Very high97.7Very high92 Ų9248.5 Ų48.556%0.55829%0.288SS*.Hα-helixtrans-64-43.3178.9175.30000111.3V32 I33 G38 A39 F40V32-V36 WeakPolarHBondContact O-CG2 3.25Å; V32-V36 PolarHBondContact O-N 3.24Å; I33-V36 PolarHBondContact O-N 2.9Å; V36-G38 PolarHBondContact O-N 3.46Å; V36-A39 PolarHBondContact O-N 2.97Å; V36-F40 PolarHBondContact O-N 2.78Å
37A98.4Very high97.8Very high33 Ų3351.3 Ų51.327%0.27330%0.296SS..Hα-helixtrans-62.9-42.5177.900000112.1I33 L35 A39 F40 F41 Y90I33-A37 VanDerWaalsContact O-CB 3.31Å; I33-A37 WeakPolarHBondContact O-CB 3.37Å; I33-A37 PolarHBondContact O-N 3.31Å; L35-A37 PolarHBondContact O-N 3.08Å; A37-A39 PolarHBondContact O-N 3.31Å; A37-F40 WeakPolarHBondContact O-CB 3.23Å; A37-F40 PolarHBondContact O-N 3.05Å; A37-F41 WeakPolarHBondContact O-CD2 3.47Å; A37-F41 PolarHBondContact O-N 3.44Å; A37-Y90 HydrophobicContact CB-CE2 4.04Å
38G98.7Very high97.9Very high0 Ų051.1 Ų51.10%028%0.276CS..Hα-helixtrans-65.4-38177.200000112.8I34 L35 V36 F40 F41 W42 Y90 S124 F125I34-G38 PolarHBondContact O-N 3.37Å; L35-G38 PolarHBondContact O-N 2.97Å; V36-G38 PolarHBondContact O-N 3.46Å; G38-F40 VanDerWaalsContact C-N 3.31Å; G38-F40 PolarHBondContact O-N 3.4Å; G38-F41 PolarHBondContact O-N 3.35Å; G38-W42 PolarHBondContact O-N 3.49Å; G38-W42 VanDerWaalsContact O-N 3.08Å; G38-Y90 PolarHBondContact N-OH 2.97Å; G38-S124 VanDerWaalsContact CA-OG 3.3Å; G38-S124 WeakPolarHBondContact CA-OG 3.37Å; G38-F125 WeakPolarHBondContact O-CD2 3.1Å; G38-F125 WeakPolarHBondContact O-CE2 3.29Å
39A98.7Very high98Very high17 Ų1749.4 Ų49.414%0.1427%0.267CS..Hα-helixtrans-60.5-41.4173.300000111.9L35 V36 A37 W42 L43 I128L35-A39 PolarHBondContact O-N 3.47Å; V36-A39 PolarHBondContact O-N 2.97Å; A37-A39 PolarHBondContact O-N 3.31Å; A39-W42 PolarHBondContact O-N 3.5Å; A39-L43 WeakPolarHBondContact O-CG 3.43Å; A39-L43 PolarHBondContact O-N 2.9Å; A39-I128 HydrophobicContact CB-CB 3.82Å; A39-I128 HydrophobicContact CB-CG1 4.15Å; A39-I128 HydrophobicContact CB-CG2 3.99Å
40F98.5Very high98.1Very high129 Ų12947.3 Ų47.357%0.56626%0.255SS*.Hα-helixtrans-62.1-44.9175.1179.1-100.6000112.4V36 A37 G38 W42 L43 V44V36-F40 PolarHBondContact O-N 2.78Å; A37-F40 WeakPolarHBondContact O-CB 3.23Å; A37-F40 PolarHBondContact O-N 3.05Å; G38-F40 VanDerWaalsContact C-N 3.31Å; G38-F40 PolarHBondContact O-N 3.4Å; F40-W42 VanDerWaalsContact C-N 3.3Å; F40-W42 PolarHBondContact O-N 2.99Å; F40-L43 PolarHBondContact O-N 3.34Å; F40-V44 HydrophobicContact CD1-CG2 4.18Å; F40-V44 HydrophobicContact CD2-CG2 4.47Å; F40-V44 HydrophobicContact CE1-CG2 3.72Å; F40-V44 HydrophobicContact CE2-CG2 4.04Å; F40-V44 HydrophobicContact CZ-CG2 3.65Å; F40-V44 WeakPolarHBondContact O-CG2 3.2Å; F40-V44 PolarHBondContact O-N 3.38Å
41F98.6Very high98.2Very high42 Ų4248.6 Ų48.618%0.18426%0.264CS..Hα-helixtrans-59.4-41.2176.8-92-107.9000112.3A37 G38 S45 F86 A89 Y90 L93 F125A37-F41 WeakPolarHBondContact O-CD2 3.47Å; A37-F41 PolarHBondContact O-N 3.44Å; G38-F41 PolarHBondContact O-N 3.35Å; F41-S45 PolarHBondContact O-N 3.09Å; F41-S45 VanDerWaalsContact O-N 3.07Å; F41-F86 HydrophobicContact CB-CD1 4.38Å; F41-F86 AromaticContact CD1-CD1 3.78Å; F41-F86 HydrophobicContact CD1-CD1 3.78Å; F41-F86 HydrophobicContact CG-CD1 4.41Å; F41-F86 VanDerWaalsContact O-CD1 3.27Å; F41-F86 WeakPolarHBondContact O-CD1 3.4Å; F41-A89 HydrophobicContact CE1-CB 4.34Å; F41-Y90 HydrophobicContact CB-CG 4.49Å; F41-Y90 HydrophobicContact CD1-CD2 4.26Å; F41-Y90 HydrophobicContact CD1-CG 4.3Å; F41-Y90 AromaticContact CD2-CD2 3.81Å; F41-Y90 HydrophobicContact CD2-CD2 3.81Å; F41-Y90 HydrophobicContact CD2-CE2 4.31Å; F41-Y90 HydrophobicContact CD2-CG 4.4Å; F41-Y90 HydrophobicContact CE1-CD2 4.37Å; F41-Y90 AromaticContact CE2-CD2 3.92Å; F41-Y90 HydrophobicContact CE2-CD2 3.92Å; F41-Y90 HydrophobicContact CE2-CE2 4.44Å; F41-Y90 AromaticContact CG-CD2 3.99Å; F41-Y90 HydrophobicContact CG-CD2 3.99Å; F41-Y90 HydrophobicContact CG-CG 4.14Å; F41-Y90 HydrophobicContact CZ-CD2 4.22Å; F41-L93 HydrophobicContact CE2-CD2 3.78Å; F41-L93 HydrophobicContact CZ-CD2 3.56Å; F41-F125 HydrophobicContact CB-CE2 4.21Å; F41-F125 HydrophobicContact CB-CZ 4.12Å
42W98.7Very high98.2Very high11 Ų1148.7 Ų48.74%0.04227%0.271CS..Hα-helixtrans-63.8-45174.9-175.489.5000111.7G38 A39 F40 V44 S45 L46 Q83 F125 I128 S129 F132G38-W42 PolarHBondContact O-N 3.49Å; G38-W42 VanDerWaalsContact O-N 3.08Å; A39-W42 PolarHBondContact O-N 3.5Å; F40-W42 VanDerWaalsContact C-N 3.3Å; F40-W42 PolarHBondContact O-N 2.99Å; W42-V44 PolarHBondContact O-N 2.93Å; W42-S45 WeakPolarHBondContact O-CB 3.48Å; W42-S45 PolarHBondContact O-N 3.04Å; W42-S45 VanDerWaalsContact O-N 3.15Å; W42-S45 PolarHBondContact O-OG 3.23Å; W42-L46 HydrophobicContact CH2-CB 4.35Å; W42-L46 HydrophobicContact CH2-CD2 3.49Å; W42-L46 VanDerWaalsContact CH2-CD2 3.49Å; W42-L46 HydrophobicContact CH2-CG 4.4Å; W42-L46 HydrophobicContact CZ2-CD2 4.34Å; W42-L46 HydrophobicContact CZ3-CB 4.29Å; W42-L46 HydrophobicContact CZ3-CD2 3.72Å; W42-L46 PolarHBondContact O-N 3.48Å; W42-Q83 VanDerWaalsContact NE1-CD 3.28Å; W42-F125 HydrophobicContact CB-CD1 3.98Å; W42-F125 HydrophobicContact CB-CD2 4.25Å; W42-F125 HydrophobicContact CB-CE1 4.14Å; W42-F125 HydrophobicContact CB-CE2 4.4Å; W42-F125 HydrophobicContact CB-CG 4.04Å; W42-F125 HydrophobicContact CB-CZ 4.35Å; W42-F125 AromaticContact CD1-CD1 3.49Å; W42-F125 VanDerWaalsContact CD1-CD1 3.49Å; W42-F125 HydrophobicContact CG-CD1 4.12Å; W42-F125 HydrophobicContact CG-CG 4.37Å; W42-I128 HydrophobicContact CB-CG2 3.7Å; W42-I128 HydrophobicContact CD2-CG2 3.67Å; W42-I128 HydrophobicContact CE3-CB 4.34Å; W42-I128 HydrophobicContact CE3-CG1 4.08Å; W42-I128 HydrophobicContact CE3-CG2 3.5Å; W42-I128 HydrophobicContact CG-CG2 3.77Å; W42-I128 HydrophobicContact CZ3-CG1 4.44Å; W42-I128 HydrophobicContact CZ3-CG2 4.37Å; W42-S129 VanDerWaalsContact CH2-CA 3.45Å; W42-S129 VanDerWaalsContact CZ2-CA 3.44Å; W42-F132 HydrophobicContact CH2-CB 3.77Å; W42-F132 HydrophobicContact CH2-CD1 4.46Å; W42-F132 HydrophobicContact CH2-CG 4.18Å; W42-F132 HydrophobicContact CZ3-CB 3.87Å; W42-F132 HydrophobicContact CZ3-CG 4.26Å
43L98.5Very high98.1Very high68 Ų6851 Ų5136%0.35628%0.275SS..Hα-helixtrans-60.5-43177.8-74.4169.1000112.6A39 F40 S45 L46 L47 I128A39-L43 WeakPolarHBondContact O-CG 3.43Å; A39-L43 PolarHBondContact O-N 2.9Å; F40-L43 PolarHBondContact O-N 3.34Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 3.26Å; L43-L46 PolarHBondContact O-N 2.79Å; L43-L47 WeakPolarHBondContact O-CB 3.46Å; L43-L47 PolarHBondContact O-N 3.02Å; L43-I128 HydrophobicContact CD1-CD1 4.1Å; L43-I128 HydrophobicContact CD1-CG1 3.95Å; L43-I128 HydrophobicContact CD2-CD1 4.23Å; L43-I128 HydrophobicContact CD2-CG1 3.84Å; L43-I128 HydrophobicContact CG-CD1 4.29Å; L43-I128 HydrophobicContact CG-CG1 3.69Å
44V98.6Very high98.1Very high38 Ų3851.1 Ų51.123%0.2327%0.271CS..Hα-helixtrans-63.3-40.4176.4176.80000110.7F40 W42 L46 L47 L48 F86F40-V44 HydrophobicContact CD1-CG2 4.18Å; F40-V44 HydrophobicContact CD2-CG2 4.47Å; F40-V44 HydrophobicContact CE1-CG2 3.72Å; F40-V44 HydrophobicContact CE2-CG2 4.04Å; F40-V44 HydrophobicContact CZ-CG2 3.65Å; F40-V44 WeakPolarHBondContact O-CG2 3.2Å; F40-V44 PolarHBondContact O-N 3.38Å; W42-V44 PolarHBondContact O-N 2.93Å; V44-L46 VanDerWaalsContact C-N 3.34Å; V44-L46 PolarHBondContact O-N 2.86Å; V44-L47 PolarHBondContact O-N 3.38Å; V44-L48 HydrophobicContact CG1-CD1 4.24Å; V44-L48 HydrophobicContact CG1-CG 4.45Å; V44-L48 WeakPolarHBondContact O-CG 3.44Å; V44-L48 PolarHBondContact O-N 2.83Å; V44-F86 HydrophobicContact CB-CD1 4.49Å; V44-F86 HydrophobicContact CB-CE1 3.84Å; V44-F86 HydrophobicContact CB-CZ 4.43Å; V44-F86 HydrophobicContact CG1-CE1 3.48Å; V44-F86 VanDerWaalsContact CG1-CE1 3.48Å; V44-F86 HydrophobicContact CG1-CZ 3.68Å
45S98.6Very high98Very high0 Ų055 Ų550%029%0.291CS..Hα-helixtrans-61.8-42.117679.30000112F41 W42 L43 A49 L82 Q83F41-S45 PolarHBondContact O-N 3.09Å; F41-S45 VanDerWaalsContact O-N 3.07Å; W42-S45 WeakPolarHBondContact O-CB 3.48Å; W42-S45 PolarHBondContact O-N 3.04Å; W42-S45 VanDerWaalsContact O-N 3.15Å; W42-S45 PolarHBondContact O-OG 3.23Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 3.26Å; S45-A49 WeakPolarHBondContact O-CB 3.43Å; S45-A49 PolarHBondContact O-N 3.36Å; S45-A49 VanDerWaalsContact O-N 3.09Å; S45-L82 WeakPolarHBondContact O-CD2 3.45Å; S45-Q83 WeakPolarHBondContact OG-CG 3.36Å
46L98Very high97.9Very high31 Ų3156.3 Ų56.316%0.16230%0.298CS..Hα-helixtrans-69.1-40.1176.6-177.166.4000111.9W42 L43 V44 L48 A49 S50 F132W42-L46 HydrophobicContact CH2-CB 4.35Å; W42-L46 HydrophobicContact CH2-CD2 3.49Å; W42-L46 VanDerWaalsContact CH2-CD2 3.49Å; W42-L46 HydrophobicContact CH2-CG 4.4Å; W42-L46 HydrophobicContact CZ2-CD2 4.34Å; W42-L46 HydrophobicContact CZ3-CB 4.29Å; W42-L46 HydrophobicContact CZ3-CD2 3.72Å; W42-L46 PolarHBondContact O-N 3.48Å; L43-L46 PolarHBondContact O-N 2.79Å; V44-L46 VanDerWaalsContact C-N 3.34Å; V44-L46 PolarHBondContact O-N 2.86Å; L46-L48 PolarHBondContact O-N 3.38Å; L46-A49 PolarHBondContact O-N 2.61Å; L46-S50 WeakPolarHBondContact O-CB 3.47Å; L46-S50 PolarHBondContact O-N 3.3Å; L46-F132 HydrophobicContact CD2-CD1 3.47Å; L46-F132 VanDerWaalsContact CD2-CD1 3.47Å; L46-F132 HydrophobicContact CD2-CD2 4.06Å; L46-F132 HydrophobicContact CD2-CE1 3.45Å; L46-F132 VanDerWaalsContact CD2-CE1 3.45Å; L46-F132 HydrophobicContact CD2-CE2 4.03Å; L46-F132 HydrophobicContact CD2-CG 3.79Å; L46-F132 HydrophobicContact CD2-CZ 3.73Å
47L98.2Very high97.7Very high105 Ų10552.7 Ų52.755%0.5528%0.276SS..Hα-helixtrans-58.1-50177.3176.963.5000110.7L43 V44 A49 S50 V51L43-L47 WeakPolarHBondContact O-CB 3.46Å; L43-L47 PolarHBondContact O-N 3.02Å; V44-L47 PolarHBondContact O-N 3.38Å; L47-A49 VanDerWaalsContact C-N 3.34Å; L47-A49 PolarHBondContact O-N 2.96Å; L47-S50 WeakPolarHBondContact O-CB 3.26Å; L47-S50 PolarHBondContact O-N 3.36Å; L47-S50 VanDerWaalsContact O-N 3.15Å; L47-S50 PolarHBondContact O-OG 3.12Å; L47-V51 WeakPolarHBondContact O-CG2 3.36Å; L47-V51 PolarHBondContact O-N 2.85Å
48L98.5Very high97.5Very high77 Ų7756 Ų5640%0.40329%0.286SS..Hα-helixtrans-61.5-41.7177.5-70.3176000111.9V44 L46 S50 V51 V52 L82 F86V44-L48 HydrophobicContact CG1-CD1 4.24Å; V44-L48 HydrophobicContact CG1-CG 4.45Å; V44-L48 WeakPolarHBondContact O-CG 3.44Å; V44-L48 PolarHBondContact O-N 2.83Å; L46-L48 PolarHBondContact O-N 3.38Å; L48-S50 VanDerWaalsContact C-N 3.31Å; L48-S50 PolarHBondContact O-N 3.43Å; L48-V51 PolarHBondContact O-N 2.9Å; L48-V52 WeakPolarHBondContact O-CG2 3.32Å; L48-V52 PolarHBondContact O-N 3.5Å; L48-V52 VanDerWaalsContact O-N 3.08Å; L48-L82 HydrophobicContact CB-CD2 3.42Å; L48-L82 VanDerWaalsContact CB-CD2 3.42Å; L48-L82 HydrophobicContact CD1-CD2 4.31Å; L48-F86 HydrophobicContact CD1-CE2 3.76Å; L48-F86 HydrophobicContact CD1-CZ 3.59Å
49A98.2Very high97.3Very high5 Ų561.7 Ų61.74%0.04132%0.32CS..Hα-helixtrans-62.7-38.7174.700000112.1S45 L46 L47 V51 V52 W53 L82S45-A49 WeakPolarHBondContact O-CB 3.43Å; S45-A49 PolarHBondContact O-N 3.36Å; S45-A49 VanDerWaalsContact O-N 3.09Å; L46-A49 PolarHBondContact O-N 2.61Å; L47-A49 VanDerWaalsContact C-N 3.34Å; L47-A49 PolarHBondContact O-N 2.96Å; A49-V51 VanDerWaalsContact C-N 3.35Å; A49-V52 PolarHBondContact O-N 2.91Å; A49-W53 WeakPolarHBondContact O-CB 3.44Å; A49-W53 PolarHBondContact O-N 3.26Å; A49-L82 HydrophobicContact CB-CD2 4.28Å
50S97.1Very high97.1Very high53 Ų5362.6 Ų62.637%0.37132%0.324SS..Hα-helixtrans-66.4-35.1176.7800000112.4L46 L47 L48 W53 F54L46-S50 WeakPolarHBondContact O-CB 3.47Å; L46-S50 PolarHBondContact O-N 3.3Å; L47-S50 WeakPolarHBondContact O-CB 3.26Å; L47-S50 PolarHBondContact O-N 3.36Å; L47-S50 VanDerWaalsContact O-N 3.15Å; L47-S50 PolarHBondContact O-OG 3.12Å; L48-S50 VanDerWaalsContact C-N 3.31Å; L48-S50 PolarHBondContact O-N 3.43Å; S50-W53 PolarHBondContact O-N 2.98Å; S50-F54 WeakPolarHBondContact O-CB 3.21Å; S50-F54 PolarHBondContact O-N 3.33Å
51V97.8Very high96.7Very high70 Ų7060.8 Ų60.842%0.42432%0.321SS..Hα-helixtrans-65.8-45173.8171.40000110.4L47 L48 A49 F54 I55L47-V51 WeakPolarHBondContact O-CG2 3.36Å; L47-V51 PolarHBondContact O-N 2.85Å; L48-V51 PolarHBondContact O-N 2.9Å; A49-V51 VanDerWaalsContact C-N 3.35Å; V51-F54 PolarHBondContact O-N 3.38Å; V51-I55 HydrophobicContact CG1-CD1 3.93Å; V51-I55 VanDerWaalsContact O-CG1 3.31Å; V51-I55 WeakPolarHBondContact O-CG1 3.39Å; V51-I55 PolarHBondContact O-N 2.89Å
52V96.7Very high96.3Very high61 Ų6165.7 Ų65.737%0.3734%0.338SS..Hα-helixtrans-59.3-49.5175.7173.20000110.5L48 A49 F54 I55 L56 V78L48-V52 WeakPolarHBondContact O-CG2 3.32Å; L48-V52 PolarHBondContact O-N 3.5Å; L48-V52 VanDerWaalsContact O-N 3.08Å; A49-V52 PolarHBondContact O-N 2.91Å; V52-F54 PolarHBondContact O-N 2.84Å; V52-I55 PolarHBondContact O-N 3.28Å; V52-L56 HydrophobicContact CG1-CD1 3.96Å; V52-L56 VanDerWaalsContact O-CG 3.3Å; V52-L56 WeakPolarHBondContact O-CG 3.05Å; V52-L56 PolarHBondContact O-N 3.45Å; V52-L56 VanDerWaalsContact O-N 3.07Å; V52-V78 HydrophobicContact CG1-CG1 4.36Å
53W96.5Very high96Very high95 Ų9570 Ų7036%0.3637%0.369SS..Hα-helixtrans-60.8-44.1177.5178.182.9000112.2A49 S50 I55 L56 V57 L72A49-W53 WeakPolarHBondContact O-CB 3.44Å; A49-W53 PolarHBondContact O-N 3.26Å; S50-W53 PolarHBondContact O-N 2.98Å; W53-I55 PolarHBondContact O-N 2.99Å; W53-L56 PolarHBondContact O-N 3.25Å; W53-V57 HydrophobicContact CD2-CG2 3.97Å; W53-V57 HydrophobicContact CE3-CG2 4.48Å; W53-V57 HydrophobicContact CG-CG2 4.45Å; W53-V57 HydrophobicContact CH2-CG2 4.22Å; W53-V57 HydrophobicContact CZ2-CG2 3.67Å; W53-V57 WeakPolarHBondContact O-CG2 3.22Å; W53-V57 PolarHBondContact O-N 3.1Å; W53-L72 HydrophobicContact CZ2-CD2 3.87Å
54F96.3Very high95.8Very high115 Ų11569.7 Ų69.750%0.50437%0.368SS..Hα-helixtrans-58.1-46.5178.2179.2-88.7000111.6S50 V51 V52 V57 H58S50-F54 WeakPolarHBondContact O-CB 3.21Å; S50-F54 PolarHBondContact O-N 3.33Å; V51-F54 PolarHBondContact O-N 3.38Å; V52-F54 PolarHBondContact O-N 2.84Å; F54-V57 PolarHBondContact O-N 3.38Å; F54-H58 AromaticContact CD1-CE1 3.96Å; F54-H58 AromaticContact CD1-ND1 3.8Å; F54-H58 AromaticContact CD2-CE1 3.55Å; F54-H58 AromaticContact CD2-ND1 3.97Å; F54-H58 AromaticContact CE1-CE1 3.55Å; F54-H58 AromaticContact CE1-ND1 3.7Å; F54-H58 AromaticContact CE2-CE1 3.12Å; F54-H58 WeakPolarHBondContact CE2-CE1 3.43Å; F54-H58 AromaticContact CE2-ND1 3.9Å; F54-H58 AromaticContact CE2-NE2 3.86Å; F54-H58 AromaticContact CG-CE1 3.96Å; F54-H58 AromaticContact CG-ND1 3.93Å; F54-H58 AromaticContact CZ-CE1 3.11Å; F54-H58 WeakPolarHBondContact CZ-CE1 3.15Å; F54-H58 AromaticContact CZ-ND1 3.76Å; F54-H58 AromaticContact CZ-NE2 3.52Å; F54-H58 PolarHBondContact O-N 2.9Å; F54-H58 VanDerWaalsContact O-N 3.16Å; F54-H58 PolarHBondContact O-ND1 3.27Å
55I96.6Very high95.5Very high92 Ų9271.6 Ų71.647%0.47239%0.388SS..Hα-helixtrans-60.8-47.1176.7-67.3166000110.2V51 V52 W53 V57 H58 V59V51-I55 HydrophobicContact CG1-CD1 3.93Å; V51-I55 VanDerWaalsContact O-CG1 3.31Å; V51-I55 WeakPolarHBondContact O-CG1 3.39Å; V51-I55 PolarHBondContact O-N 2.89Å; V52-I55 PolarHBondContact O-N 3.28Å; W53-I55 PolarHBondContact O-N 2.99Å; I55-V57 PolarHBondContact O-N 2.94Å; I55-H58 PolarHBondContact O-N 3.18Å; I55-H58 VanDerWaalsContact O-N 3.14Å; I55-V59 HydrophobicContact CG2-CG2 4.15Å; I55-V59 WeakPolarHBondContact O-CG2 3.42Å; I55-V59 PolarHBondContact O-N 2.63Å
56L95.5Very high95.3Very high49 Ų4981.8 Ų81.826%0.25743%0.426SS..Hα-helixtrans-61.1-41.4-179-69.5169.2000112.7V52 W53 H58 V59 T60 L71 F74V52-L56 HydrophobicContact CG1-CD1 3.96Å; V52-L56 VanDerWaalsContact O-CG 3.3Å; V52-L56 WeakPolarHBondContact O-CG 3.05Å; V52-L56 PolarHBondContact O-N 3.45Å; V52-L56 VanDerWaalsContact O-N 3.07Å; W53-L56 PolarHBondContact O-N 3.25Å; L56-H58 VanDerWaalsContact C-N 3.31Å; L56-H58 PolarHBondContact O-N 3.37Å; L56-V59 PolarHBondContact O-N 2.89Å; L56-T60 WeakPolarHBondContact O-CB 3.3Å; L56-T60 PolarHBondContact O-N 2.71Å; L56-T60 PolarHBondContact O-OG1 3.48Å; L56-L71 HydrophobicContact CB-CD2 4.01Å; L56-L71 HydrophobicContact CD1-CD2 4.39Å; L56-F74 HydrophobicContact CD1-CD1 3.79Å; L56-F74 HydrophobicContact CD1-CE1 3.59Å
57V94.9Very high95.2Very high16 Ų1683.6 Ų83.610%0.09744%0.436CS..Hα-helixtrans-69.4-26.2177.5171.70000112.8W53 F54 I55 R62 L71W53-V57 HydrophobicContact CD2-CG2 3.97Å; W53-V57 HydrophobicContact CE3-CG2 4.48Å; W53-V57 HydrophobicContact CG-CG2 4.45Å; W53-V57 HydrophobicContact CH2-CG2 4.22Å; W53-V57 HydrophobicContact CZ2-CG2 3.67Å; W53-V57 WeakPolarHBondContact O-CG2 3.22Å; W53-V57 PolarHBondContact O-N 3.1Å; F54-V57 PolarHBondContact O-N 3.38Å; I55-V57 PolarHBondContact O-N 2.94Å; V57-R62 PolarHBondContact O-NE 3.39Å; V57-L71 HydrophobicContact CG2-CD1 4.48Å
58H93.9Very high95Very high101 Ų10180.1 Ų80.147%0.46842%0.417SS..Hα-helixtrans-84.4-32176.3-76.274.2000113.1F54 I55 L56 R62F54-H58 AromaticContact CD1-CE1 3.96Å; F54-H58 AromaticContact CD1-ND1 3.8Å; F54-H58 AromaticContact CD2-CE1 3.55Å; F54-H58 AromaticContact CD2-ND1 3.97Å; F54-H58 AromaticContact CE1-CE1 3.55Å; F54-H58 AromaticContact CE1-ND1 3.7Å; F54-H58 AromaticContact CE2-CE1 3.12Å; F54-H58 WeakPolarHBondContact CE2-CE1 3.43Å; F54-H58 AromaticContact CE2-ND1 3.9Å; F54-H58 AromaticContact CE2-NE2 3.86Å; F54-H58 AromaticContact CG-CE1 3.96Å; F54-H58 AromaticContact CG-ND1 3.93Å; F54-H58 AromaticContact CZ-CE1 3.11Å; F54-H58 WeakPolarHBondContact CZ-CE1 3.15Å; F54-H58 AromaticContact CZ-ND1 3.76Å; F54-H58 AromaticContact CZ-NE2 3.52Å; F54-H58 PolarHBondContact O-N 2.9Å; F54-H58 VanDerWaalsContact O-N 3.16Å; F54-H58 PolarHBondContact O-ND1 3.27Å; I55-H58 PolarHBondContact O-N 3.18Å; I55-H58 VanDerWaalsContact O-N 3.14Å; L56-H58 VanDerWaalsContact C-N 3.31Å; L56-H58 PolarHBondContact O-N 3.37Å; H58-R62 PolarHBondContact CD2-NH2 2.57Å; H58-R62 PolarHBondContact CE1-NH2 3.5Å; H58-R62 PolarHBondContact ND1-NH2 3.49Å; H58-R62 PolarHBondContact NE2-NH2 2.84Å
59V94.6Very high94.8Very high120 Ų12082.2 Ų82.273%0.72742%0.42SS*.Hα-helixtrans-79-27.4178.7172.80000111.6I55 L56I55-V59 HydrophobicContact CG2-CG2 4.15Å; I55-V59 WeakPolarHBondContact O-CG2 3.42Å; I55-V59 PolarHBondContact O-N 2.63Å; L56-V59 PolarHBondContact O-N 2.89Å
60T94Very high94.7Very high36 Ų3683.7 Ų83.722%0.22144%0.436CS..SBendtrans-97.2154.5-174.6-51.50000112.1L56 R62 L67 L71L56-T60 WeakPolarHBondContact O-CB 3.3Å; L56-T60 PolarHBondContact O-N 2.71Å; L56-T60 PolarHBondContact O-OG1 3.48Å; T60-R62 PolarHBondContact O-N 3.16Å; T60-L67 HydrophobicContact CG2-CD1 4.05Å; T60-L67 HydrophobicContact CG2-CD2 3.08Å; T60-L67 HydrophobicContact CG2-CG 3.42Å; T60-L67 VanDerWaalsContact CG2-CG 3.42Å; T60-L71 HydrophobicContact CG2-CD1 3.96Å
61D90.5Very high94.6Very high92 Ų9282 Ų8249%0.49242%0.423SS..  trans-60.1122.1176.4-171.5-4.3000111.8S63 Q68D61-S63 WeakPolarHBondContact OD1-CB 3.29Å; D61-S63 PolarHBondContact OD1-N 2.97Å; D61-S63 PolarHBondContact OD1-OG 2.97Å; D61-S63 PolarHBondContact OD2-OG 3.11Å; D61-Q68 PolarHBondContact O-NE2 2.86Å
62R90.8Very high94.5Very high145 Ų14582.4 Ų82.455%0.54742%0.422SS..SBendtrans-80.5-16.8179.4-67.5-175.5176.4-175.2-3.9113.6V57 H58 T60V57-R62 PolarHBondContact O-NE 3.39Å; H58-R62 PolarHBondContact CD2-NH2 2.57Å; H58-R62 PolarHBondContact CE1-NH2 3.5Å; H58-R62 PolarHBondContact ND1-NH2 3.49Å; H58-R62 PolarHBondContact NE2-NH2 2.84Å; T60-R62 PolarHBondContact O-N 3.16Å
63S92.2Very high94.5Very high100 Ų10083 Ų8370%0.69942%0.423SS*.SBendtrans-80-22.1179.672.10000112.7D61 A65D61-S63 WeakPolarHBondContact OD1-CB 3.29Å; D61-S63 PolarHBondContact OD1-N 2.97Å; D61-S63 PolarHBondContact OD1-OG 2.97Å; D61-S63 PolarHBondContact OD2-OG 3.11Å; S63-A65 PolarHBondContact O-N 3.03Å
64D93.8Very high94.4Very high62 Ų6283.6 Ų83.633%0.33243%0.428SS..  trans-82.696.1176.8-171.5-16.2000111.7R66 L67 Q68D64-R66 VanDerWaalsContact C-N 3.27Å; D64-R66 PolarHBondContact O-N 3.07Å; D64-R66 WeakPolarHBondContact OD1-CB 3.49Å; D64-R66 PolarHBondContact OD1-N 3.06Å; D64-L67 HydrophobicContact CB-CB 3.81Å; D64-L67 HydrophobicContact CB-CD2 4.38Å; D64-L67 PolarHBondContact O-N 3.33Å; D64-L67 PolarHBondContact OD1-N 3.49Å; D64-Q68 WeakPolarHBondContact O-CG 3.43Å; D64-Q68 PolarHBondContact O-N 2.87Å
65A93.2Very high94.5Very high79 Ų7978.6 Ų78.665%0.65341%0.409SS*.Hα-helixtrans-58.6-33.6178.700000113.9S63 Y69S63-A65 PolarHBondContact O-N 3.03Å; A65-Y69 WeakPolarHBondContact O-CB 3.39Å; A65-Y69 PolarHBondContact O-N 3.05Å
66R95Very high94.5Very high213 Ų21375.6 Ų75.680%0.80440%0.397SS*.Hα-helixtrans-70.9-40.6179.4-75.6-174.3-71.9-166.3-4.8110.8D64 Y69 G70D64-R66 VanDerWaalsContact C-N 3.27Å; D64-R66 PolarHBondContact O-N 3.07Å; D64-R66 WeakPolarHBondContact OD1-CB 3.49Å; D64-R66 PolarHBondContact OD1-N 3.06Å; R66-Y69 PolarHBondContact O-N 2.79Å; R66-G70 PolarHBondContact O-N 2.95Å
67L94.7Very high94.6Very high69 Ų6974.9 Ų74.936%0.36140%0.398SS..Hα-helixtrans-65.4-43.9176.5-175.751.8000111.4T60 D64 Y69 G70 L71T60-L67 HydrophobicContact CG2-CD1 4.05Å; T60-L67 HydrophobicContact CG2-CD2 3.08Å; T60-L67 HydrophobicContact CG2-CG 3.42Å; T60-L67 VanDerWaalsContact CG2-CG 3.42Å; D64-L67 HydrophobicContact CB-CB 3.81Å; D64-L67 HydrophobicContact CB-CD2 4.38Å; D64-L67 PolarHBondContact O-N 3.33Å; D64-L67 PolarHBondContact OD1-N 3.49Å; L67-Y69 PolarHBondContact O-N 2.96Å; L67-G70 PolarHBondContact O-N 3.17Å; L67-L71 WeakPolarHBondContact O-CG 3.36Å; L67-L71 PolarHBondContact O-N 3.38Å
68Q94.8Very high94.7Very high33 Ų3375.7 Ų75.715%0.15440%0.403CS..Hα-helixtrans-62.6-41175.6-65.8-59.1-36.200112.4D61 D64 L71 L72D61-Q68 PolarHBondContact O-NE2 2.86Å; D64-Q68 WeakPolarHBondContact O-CG 3.43Å; D64-Q68 PolarHBondContact O-N 2.87Å; Q68-L71 WeakPolarHBondContact O-CB 3.49Å; Q68-L71 PolarHBondContact O-N 2.76Å; Q68-L72 WeakPolarHBondContact O-CG 3.39Å; Q68-L72 PolarHBondContact O-N 3.43Å
69Y94.6Very high94.9Very high121 Ų12171.6 Ų71.648%0.47539%0.386SS..Hα-helixtrans-62.8-43.1173.5-175.7-103.3000112.3A65 R66 L67 L71 L72 I73 F205A65-Y69 WeakPolarHBondContact O-CB 3.39Å; A65-Y69 PolarHBondContact O-N 3.05Å; R66-Y69 PolarHBondContact O-N 2.79Å; L67-Y69 PolarHBondContact O-N 2.96Å; Y69-L71 VanDerWaalsContact C-N 3.33Å; Y69-L71 PolarHBondContact O-N 3.26Å; Y69-L72 WeakPolarHBondContact O-CB 3.18Å; Y69-L72 PolarHBondContact O-N 3.37Å; Y69-I73 HydrophobicContact CD1-CD1 4.04Å; Y69-I73 HydrophobicContact CE1-CD1 3.49Å; Y69-I73 VanDerWaalsContact CE1-CD1 3.49Å; Y69-I73 HydrophobicContact CE1-CG1 4.38Å; Y69-I73 PolarHBondContact O-N 3.05Å; Y69-F205 HydrophobicContact CE2-CD1 4.47Å
70G95.3Very high95.1Very high36 Ų3666 Ų6637%0.37135%0.353SS..Hα-helixtrans-60.2-40.4173.400000113R66 L67 L72 I73 F74R66-G70 PolarHBondContact O-N 2.95Å; L67-G70 PolarHBondContact O-N 3.17Å; G70-L72 VanDerWaalsContact C-N 3.34Å; G70-L72 PolarHBondContact O-N 3.02Å; G70-I73 PolarHBondContact O-N 3.08Å; G70-F74 WeakPolarHBondContact O-CB 3.24Å; G70-F74 PolarHBondContact O-N 3.17Å
71L95.6Very high95.4Very high18 Ų1868.4 Ų68.49%0.09436%0.364CS..Hα-helixtrans-65.4-33.4175.3-75.1174.9000112.9L56 V57 T60 L67 Q68 Y69 G75L56-L71 HydrophobicContact CB-CD2 4.01Å; L56-L71 HydrophobicContact CD1-CD2 4.39Å; V57-L71 HydrophobicContact CG2-CD1 4.48Å; T60-L71 HydrophobicContact CG2-CD1 3.96Å; L67-L71 WeakPolarHBondContact O-CG 3.36Å; L67-L71 PolarHBondContact O-N 3.38Å; Q68-L71 WeakPolarHBondContact O-CB 3.49Å; Q68-L71 PolarHBondContact O-N 2.76Å; Y69-L71 VanDerWaalsContact C-N 3.33Å; Y69-L71 PolarHBondContact O-N 3.26Å; L71-G75 PolarHBondContact O-N 2.61Å
72L95Very high95.7Very high78 Ų7865.9 Ų65.941%0.40835%0.35SS..Hα-helixtrans-65.3-46.3173.8-71.9169.9000111.5W53 Q68 Y69 G70 G75 A76 F205W53-L72 HydrophobicContact CZ2-CD2 3.87Å; Q68-L72 WeakPolarHBondContact O-CG 3.39Å; Q68-L72 PolarHBondContact O-N 3.43Å; Y69-L72 WeakPolarHBondContact O-CB 3.18Å; Y69-L72 PolarHBondContact O-N 3.37Å; G70-L72 VanDerWaalsContact C-N 3.34Å; G70-L72 PolarHBondContact O-N 3.02Å; L72-G75 PolarHBondContact O-N 3.49Å; L72-A76 WeakPolarHBondContact O-CB 3.47Å; L72-A76 PolarHBondContact O-N 3.41Å; L72-F205 HydrophobicContact CB-CE1 4.41Å
73I96Very high96.1Very high74 Ų7459.5 Ų59.538%0.37933%0.326SS..Hα-helixtrans-62.2-46.1176.5-64.9173.8000110.3Y69 G70 A76 A77 F205Y69-I73 HydrophobicContact CD1-CD1 4.04Å; Y69-I73 HydrophobicContact CE1-CD1 3.49Å; Y69-I73 VanDerWaalsContact CE1-CD1 3.49Å; Y69-I73 HydrophobicContact CE1-CG1 4.38Å; Y69-I73 PolarHBondContact O-N 3.05Å; G70-I73 PolarHBondContact O-N 3.08Å; I73-A76 PolarHBondContact O-N 2.88Å; I73-A77 PolarHBondContact O-N 2.9Å; I73-F205 HydrophobicContact CG1-CD1 4.15Å; I73-F205 HydrophobicContact CG1-CE1 3.96Å; I73-F205 HydrophobicContact CG1-CE2 4.41Å; I73-F205 HydrophobicContact CG1-CG 4.45Å; I73-F205 HydrophobicContact CG1-CZ 4.1Å
74F95.9Very high96.4Very high107 Ų10755.2 Ų55.247%0.46930%0.295SS..Hα-helixtrans-60.7-46.1176.6177.7-99.4000111.8L56 G70 A76 A77 V78L56-F74 HydrophobicContact CD1-CD1 3.79Å; L56-F74 HydrophobicContact CD1-CE1 3.59Å; G70-F74 WeakPolarHBondContact O-CB 3.24Å; G70-F74 PolarHBondContact O-N 3.17Å; F74-A76 VanDerWaalsContact C-N 3.33Å; F74-A76 PolarHBondContact O-N 3.4Å; F74-A77 WeakPolarHBondContact O-CB 3.41Å; F74-A77 PolarHBondContact O-N 2.99Å; F74-V78 HydrophobicContact CD1-CG2 4.11Å; F74-V78 HydrophobicContact CE1-CG2 3.6Å; F74-V78 HydrophobicContact CE2-CG2 4.07Å; F74-V78 HydrophobicContact CZ-CG2 3.58Å; F74-V78 WeakPolarHBondContact O-CG2 3.35Å; F74-V78 PolarHBondContact O-N 2.89Å
75G97.1Very high96.6Very high10 Ų1056.5 Ų56.510%0.10331%0.305CS..Hα-helixtrans-60.7-40.5177.200000112.5L71 L72 V78 S79L71-G75 PolarHBondContact O-N 2.61Å; L72-G75 PolarHBondContact O-N 3.49Å; G75-V78 PolarHBondContact O-N 3.31Å; G75-S79 WeakPolarHBondContact O-CB 3.31Å; G75-S79 PolarHBondContact O-N 2.85Å
76A96.8Very high96.9Very high28 Ų2854.5 Ų54.523%0.23128%0.281CS..Hα-helixtrans-62.6-44.4173.300000111.7L72 I73 F74 S79 V80 F205L72-A76 WeakPolarHBondContact O-CB 3.47Å; L72-A76 PolarHBondContact O-N 3.41Å; I73-A76 PolarHBondContact O-N 2.88Å; F74-A76 VanDerWaalsContact C-N 3.33Å; F74-A76 PolarHBondContact O-N 3.4Å; A76-S79 WeakPolarHBondContact O-CB 3.47Å; A76-S79 PolarHBondContact O-N 3.29Å; A76-V80 WeakPolarHBondContact O-CG2 3.33Å; A76-V80 PolarHBondContact O-N 2.95Å; A76-F205 HydrophobicContact CB-CE2 3.77Å; A76-F205 HydrophobicContact CB-CZ 3.71Å
77A97.9Very high97.1Very high34 Ų3444.3 Ų44.328%0.28124%0.243SC..Hα-helixtrans-62.3-44.117600000112.2I73 F74 S79 V80 L81 L198I73-A77 PolarHBondContact O-N 2.9Å; F74-A77 WeakPolarHBondContact O-CB 3.41Å; F74-A77 PolarHBondContact O-N 2.99Å; A77-S79 VanDerWaalsContact C-N 3.34Å; A77-S79 PolarHBondContact O-N 3.41Å; A77-V80 PolarHBondContact O-N 3.15Å; A77-L81 WeakPolarHBondContact O-CG 3.35Å; A77-L81 PolarHBondContact O-N 3.44Å; A77-L198 HydrophobicContact CB-CD2 4.2Å
78V98Very high97.2Very high33 Ų3344.8 Ų44.820%0.224%0.242CC..Hα-helixtrans-61.4-42.6174.8170.60000111.2V52 F74 G75 L81 L82V52-V78 HydrophobicContact CG1-CG1 4.36Å; F74-V78 HydrophobicContact CD1-CG2 4.11Å; F74-V78 HydrophobicContact CE1-CG2 3.6Å; F74-V78 HydrophobicContact CE2-CG2 4.07Å; F74-V78 HydrophobicContact CZ-CG2 3.58Å; F74-V78 WeakPolarHBondContact O-CG2 3.35Å; F74-V78 PolarHBondContact O-N 2.89Å; G75-V78 PolarHBondContact O-N 3.31Å; V78-L81 PolarHBondContact O-N 3Å; V78-L82 WeakPolarHBondContact O-CB 3.44Å; V78-L82 PolarHBondContact O-N 3.48Å
79S98.3Very high97.4Very high15 Ų1545.2 Ų45.211%0.10525%0.252CS..Hα-helixtrans-59-47.5176.1-176.80000111.7G75 A76 A77 L82 Q83G75-S79 WeakPolarHBondContact O-CB 3.31Å; G75-S79 PolarHBondContact O-N 2.85Å; A76-S79 WeakPolarHBondContact O-CB 3.47Å; A76-S79 PolarHBondContact O-N 3.29Å; A77-S79 VanDerWaalsContact C-N 3.34Å; A77-S79 PolarHBondContact O-N 3.41Å; S79-L82 PolarHBondContact O-N 2.65Å; S79-Q83 WeakPolarHBondContact O-CB 3.46Å; S79-Q83 VanDerWaalsContact O-CG 3.23Å; S79-Q83 WeakPolarHBondContact O-CG 3.29Å; S79-Q83 PolarHBondContact O-N 3.47Å; S79-Q83 PolarHBondContact O-NE2 3.47Å; S79-Q83 PolarHBondContact OG-NE2 2.97Å
80V98.6Very high97.6Very high4 Ų439.5 Ų39.52%0.02423%0.229CC..Hα-helixtrans-58.7-50.5176.1168.90000111A76 A77 L82 Q83 E84 H197 L198 S201A76-V80 WeakPolarHBondContact O-CG2 3.33Å; A76-V80 PolarHBondContact O-N 2.95Å; A77-V80 PolarHBondContact O-N 3.15Å; V80-L82 VanDerWaalsContact C-N 3.29Å; V80-L82 PolarHBondContact O-N 3.33Å; V80-Q83 WeakPolarHBondContact O-CB 2.96Å; V80-Q83 PolarHBondContact O-N 3.27Å; V80-E84 WeakPolarHBondContact O-CG 3.47Å; V80-E84 PolarHBondContact O-N 2.62Å; V80-H197 HydrophobicContact CG1-CB 4.03Å; V80-L198 HydrophobicContact CB-CD2 3.78Å; V80-L198 HydrophobicContact CB-CG 4.48Å; V80-L198 HydrophobicContact CG1-CD2 3.58Å; V80-L198 HydrophobicContact CG1-CG 3.73Å; V80-L198 HydrophobicContact CG2-CD2 4.34Å; V80-S201 WeakPolarHBondContact CG2-OG 3.48Å
81L98.6Very high97.7Very high86 Ų8638.7 Ų38.745%0.4522%0.215SC..Hα-helixtrans-60.2-40.7-179.6-68.2175.2000111.8A77 V78 E84 V85 V194 L198A77-L81 WeakPolarHBondContact O-CG 3.35Å; A77-L81 PolarHBondContact O-N 3.44Å; V78-L81 PolarHBondContact O-N 3Å; L81-E84 PolarHBondContact O-N 3.15Å; L81-V85 WeakPolarHBondContact O-CG2 3.32Å; L81-V85 PolarHBondContact O-N 3.17Å; L81-V194 HydrophobicContact CD2-CG1 3.98Å; L81-L198 HydrophobicContact CD2-CD1 4.47Å
82L98.5Very high97.9Very high38 Ų3843.5 Ų43.520%0.19924%0.235CC..Hα-helixtrans-68.9-38.8178.7-163.752.9000111.8S45 L48 A49 V78 S79 V80 E84 V85 F86S45-L82 WeakPolarHBondContact O-CD2 3.45Å; L48-L82 HydrophobicContact CB-CD2 3.42Å; L48-L82 VanDerWaalsContact CB-CD2 3.42Å; L48-L82 HydrophobicContact CD1-CD2 4.31Å; A49-L82 HydrophobicContact CB-CD2 4.28Å; V78-L82 WeakPolarHBondContact O-CB 3.44Å; V78-L82 PolarHBondContact O-N 3.48Å; S79-L82 PolarHBondContact O-N 2.65Å; V80-L82 VanDerWaalsContact C-N 3.29Å; V80-L82 PolarHBondContact O-N 3.33Å; L82-E84 VanDerWaalsContact C-N 3.32Å; L82-E84 PolarHBondContact O-N 2.83Å; L82-V85 PolarHBondContact O-N 2.9Å; L82-F86 HydrophobicContact CD1-CD2 3.93Å; L82-F86 HydrophobicContact CD1-CE2 3.77Å; L82-F86 HydrophobicContact CG-CD2 4.08Å; L82-F86 HydrophobicContact CG-CE2 4.07Å; L82-F86 VanDerWaalsContact O-CD2 3.29Å; L82-F86 WeakPolarHBondContact O-CD2 3.33Å; L82-F86 PolarHBondContact O-N 3.07Å
83Q98.6Very high98Very high12 Ų1244 Ų446%0.05624%0.238CC..Hα-helixtrans-59.5-41172.1-73171.750.400111.9W42 S45 S79 V80 F86 R87 H197W42-Q83 VanDerWaalsContact NE1-CD 3.28Å; S45-Q83 WeakPolarHBondContact OG-CG 3.36Å; S79-Q83 WeakPolarHBondContact O-CB 3.46Å; S79-Q83 VanDerWaalsContact O-CG 3.23Å; S79-Q83 WeakPolarHBondContact O-CG 3.29Å; S79-Q83 PolarHBondContact O-N 3.47Å; S79-Q83 PolarHBondContact O-NE2 3.47Å; S79-Q83 PolarHBondContact OG-NE2 2.97Å; V80-Q83 WeakPolarHBondContact O-CB 2.96Å; V80-Q83 PolarHBondContact O-N 3.27Å; Q83-F86 PolarHBondContact O-N 2.71Å; Q83-R87 WeakPolarHBondContact O-CB 3.45Å; Q83-R87 PolarHBondContact O-N 3.34Å; Q83-H197 PolarHBondContact OE1-CE1 3.28Å
84E98.6Very high98Very high10 Ų1041 Ų415%0.04722%0.222CC..Hα-helixtrans-68.7-38176.7-63.2-5413700112.7V80 L81 L82 R87 F88 V194 H197V80-E84 WeakPolarHBondContact O-CG 3.47Å; V80-E84 PolarHBondContact O-N 2.62Å; L81-E84 PolarHBondContact O-N 3.15Å; L82-E84 VanDerWaalsContact C-N 3.32Å; L82-E84 PolarHBondContact O-N 2.83Å; E84-R87 PolarHBondContact O-N 3.08Å; E84-R87 IonicContact OE1-CZ 3.89Å; E84-R87 IonicContact OE1-NH1 2.79Å; E84-R87 PolarHBondContact OE1-NH1 3.07Å; E84-R87 IonicContact OE2-CZ 3.22Å; E84-R87 IonicContact OE2-NH1 2.57Å; E84-R87 PolarHBondContact OE2-NH1 3.32Å; E84-F88 PolarHBondContact O-N 3.45Å; E84-V194 HydrophobicContact CB-CG2 4.18Å; E84-V194 HydrophobicContact CG-CB 4.44Å; E84-V194 HydrophobicContact CG-CG1 4.31Å; E84-V194 HydrophobicContact CG-CG2 3.91Å; E84-H197 IonicContact OE1-CE1 3.7Å; E84-H197 IonicContact OE1-CG 2.61Å; E84-H197 IonicContact OE1-ND1 3.75Å; E84-H197 PolarHBondContact OE1-ND1 3.42Å
85V98.5Very high98Very high89 Ų8939.3 Ų39.354%0.53922%0.215SC..Hα-helixtrans-62-44.3172.2170.10000110.8L81 L82 F88 A89L81-V85 WeakPolarHBondContact O-CG2 3.32Å; L81-V85 PolarHBondContact O-N 3.17Å; L82-V85 PolarHBondContact O-N 2.9Å; V85-F88 WeakPolarHBondContact O-CB 3.41Å; V85-F88 PolarHBondContact O-N 3.09Å; V85-A89 PolarHBondContact O-N 2.89Å
86F98.6Very high98Very high36 Ų3646.2 Ų46.216%0.15824%0.242CC..Hα-helixtrans-68.4-34.1177-89.7-105.7000112.5F41 V44 L48 L82 Q83 F88 A89 Y90F41-F86 HydrophobicContact CB-CD1 4.38Å; F41-F86 AromaticContact CD1-CD1 3.78Å; F41-F86 HydrophobicContact CD1-CD1 3.78Å; F41-F86 HydrophobicContact CG-CD1 4.41Å; F41-F86 VanDerWaalsContact O-CD1 3.27Å; F41-F86 WeakPolarHBondContact O-CD1 3.4Å; V44-F86 HydrophobicContact CB-CD1 4.49Å; V44-F86 HydrophobicContact CB-CE1 3.84Å; V44-F86 HydrophobicContact CB-CZ 4.43Å; V44-F86 HydrophobicContact CG1-CE1 3.48Å; V44-F86 VanDerWaalsContact CG1-CE1 3.48Å; V44-F86 HydrophobicContact CG1-CZ 3.68Å; L48-F86 HydrophobicContact CD1-CE2 3.76Å; L48-F86 HydrophobicContact CD1-CZ 3.59Å; L82-F86 HydrophobicContact CD1-CD2 3.93Å; L82-F86 HydrophobicContact CD1-CE2 3.77Å; L82-F86 HydrophobicContact CG-CD2 4.08Å; L82-F86 HydrophobicContact CG-CE2 4.07Å; L82-F86 VanDerWaalsContact O-CD2 3.29Å; L82-F86 WeakPolarHBondContact O-CD2 3.33Å; L82-F86 PolarHBondContact O-N 3.07Å; Q83-F86 PolarHBondContact O-N 2.71Å; F86-F88 VanDerWaalsContact C-N 3.33Å; F86-A89 PolarHBondContact O-N 2.99Å; F86-Y90 VanDerWaalsContact O-CB 3.25Å; F86-Y90 WeakPolarHBondContact O-CB 3.41Å; F86-Y90 PolarHBondContact O-N 2.68Å
87R98.5Very high97.9Very high0 Ų047.2 Ų47.20%025%0.25CS..Hα-helixtrans-61-43.5170.7-177.4175.2-71.999.50.8111.1Q83 E84 Y90 Y91 F125 H171 F178Q83-R87 WeakPolarHBondContact O-CB 3.45Å; Q83-R87 PolarHBondContact O-N 3.34Å; E84-R87 PolarHBondContact O-N 3.08Å; E84-R87 IonicContact OE1-CZ 3.89Å; E84-R87 IonicContact OE1-NH1 2.79Å; E84-R87 PolarHBondContact OE1-NH1 3.07Å; E84-R87 IonicContact OE2-CZ 3.22Å; E84-R87 IonicContact OE2-NH1 2.57Å; E84-R87 PolarHBondContact OE2-NH1 3.32Å; R87-Y90 PolarHBondContact O-N 2.61Å; R87-Y91 WeakPolarHBondContact O-CB 3.5Å; R87-Y91 PolarHBondContact O-N 2.79Å; R87-F125 HydrophobicContact CB-CE1 3.93Å; R87-F125 HydrophobicContact CB-CZ 4.2Å; R87-H171 PolarHBondContact NH2-ND1 3.27Å; R87-F178 HydrophobicContact CG-CD1 3.93Å; R87-F178 HydrophobicContact CG-CD2 4.43Å; R87-F178 HydrophobicContact CG-CE1 4.02Å; R87-F178 HydrophobicContact CG-CE2 4.49Å; R87-F178 HydrophobicContact CG-CG 4.17Å; R87-F178 HydrophobicContact CG-CZ 4.31Å
88F98.5Very high97.6Very high79 Ų7946.6 Ų46.635%0.34624%0.242SC..Hα-helixtrans-63.6-45.4174.8-173.7-117.3000112.8E84 V85 F86 Y90 Y91 K92 F178E84-F88 PolarHBondContact O-N 3.45Å; V85-F88 WeakPolarHBondContact O-CB 3.41Å; V85-F88 PolarHBondContact O-N 3.09Å; F86-F88 VanDerWaalsContact C-N 3.33Å; F88-Y90 VanDerWaalsContact C-N 3.27Å; F88-Y90 PolarHBondContact O-N 3Å; F88-Y91 HydrophobicContact CD2-CD1 4.2Å; F88-Y91 HydrophobicContact CE2-CD1 4.28Å; F88-Y91 HydrophobicContact CE2-CE1 4.46Å; F88-Y91 PolarHBondContact O-N 2.76Å; F88-K92 HydrophobicContact CD1-CD 4.47Å; F88-K92 HydrophobicContact CE1-CD 3.99Å; F88-K92 HydrophobicContact CZ-CD 4.2Å; F88-K92 PolarHBondContact O-N 3.39Å; F88-K92 VanDerWaalsContact O-N 3.07Å; F88-F178 HydrophobicContact CB-CE1 4.23Å; F88-F178 HydrophobicContact CB-CZ 3.85Å; F88-F178 HydrophobicContact CD2-CE1 4.16Å; F88-F178 HydrophobicContact CD2-CZ 4.17Å; F88-F178 HydrophobicContact CG-CZ 4.5Å
89A98.5Very high97.4Very high42 Ų4250.4 Ų50.435%0.34726%0.258SS..Hα-helixtrans-59.8-41.7176.300000111.1F41 V85 F86 K92 L93F41-A89 HydrophobicContact CE1-CB 4.34Å; V85-A89 PolarHBondContact O-N 2.89Å; F86-A89 PolarHBondContact O-N 2.99Å; A89-K92 PolarHBondContact O-N 3.2Å; A89-L93 PolarHBondContact O-N 3.43Å
90Y98.5Very high97.1Very high1 Ų151.2 Ų51.20%0.00427%0.269CS..Hα-helixtrans-68.5-42.2178.8-171.2-132.8000112.7I34 A37 G38 F41 F86 R87 F88 K92 L93 L94 S121 F125I34-Y90 WeakPolarHBondContact CA-OH 3.47Å; I34-Y90 WeakPolarHBondContact CG2-OH 3.44Å; I34-Y90 PolarHBondContact O-OH 3.31Å; A37-Y90 HydrophobicContact CB-CE2 4.04Å; G38-Y90 PolarHBondContact N-OH 2.97Å; F41-Y90 HydrophobicContact CB-CG 4.49Å; F41-Y90 HydrophobicContact CD1-CD2 4.26Å; F41-Y90 HydrophobicContact CD1-CG 4.3Å; F41-Y90 AromaticContact CD2-CD2 3.81Å; F41-Y90 HydrophobicContact CD2-CD2 3.81Å; F41-Y90 HydrophobicContact CD2-CE2 4.31Å; F41-Y90 HydrophobicContact CD2-CG 4.4Å; F41-Y90 HydrophobicContact CE1-CD2 4.37Å; F41-Y90 AromaticContact CE2-CD2 3.92Å; F41-Y90 HydrophobicContact CE2-CD2 3.92Å; F41-Y90 HydrophobicContact CE2-CE2 4.44Å; F41-Y90 AromaticContact CG-CD2 3.99Å; F41-Y90 HydrophobicContact CG-CD2 3.99Å; F41-Y90 HydrophobicContact CG-CG 4.14Å; F41-Y90 HydrophobicContact CZ-CD2 4.22Å; F86-Y90 VanDerWaalsContact O-CB 3.25Å; F86-Y90 WeakPolarHBondContact O-CB 3.41Å; F86-Y90 PolarHBondContact O-N 2.68Å; R87-Y90 PolarHBondContact O-N 2.61Å; F88-Y90 VanDerWaalsContact C-N 3.27Å; F88-Y90 PolarHBondContact O-N 3Å; Y90-K92 VanDerWaalsContact C-N 3.32Å; Y90-K92 PolarHBondContact O-N 3.22Å; Y90-L93 HydrophobicContact CD2-CD2 4.33Å; Y90-L93 WeakPolarHBondContact O-CB 3.43Å; Y90-L93 PolarHBondContact O-N 3.35Å; Y90-L93 VanDerWaalsContact O-N 3.16Å; Y90-L94 HydrophobicContact CD1-CD1 4.05Å; Y90-L94 HydrophobicContact CD2-CG 4.23Å; Y90-L94 HydrophobicContact CE1-CD1 3.62Å; Y90-L94 HydrophobicContact CE1-CG 4.21Å; Y90-L94 HydrophobicContact CE2-CD1 4.16Å; Y90-L94 HydrophobicContact CE2-CD2 3.92Å; Y90-L94 HydrophobicContact CE2-CG 3.8Å; Y90-L94 HydrophobicContact CG-CD1 4.49Å; Y90-L94 WeakPolarHBondContact O-CG 3.23Å; Y90-L94 PolarHBondContact O-N 3.48Å; Y90-S121 VanDerWaalsContact CD1-OG 3.23Å; Y90-S121 WeakPolarHBondContact CD1-OG 3.47Å; Y90-S121 WeakPolarHBondContact CE1-OG 3.44Å; Y90-F125 HydrophobicContact CD1-CE2 4.03Å
91Y98Very high96.7Very high18 Ų1854.5 Ų54.57%0.07129%0.286CS..Hα-helixtrans-53.5-48.1170.7155.8-102000111.7R87 F88 L93 L94 K95 I114 F179 C182 E183R87-Y91 WeakPolarHBondContact O-CB 3.5Å; R87-Y91 PolarHBondContact O-N 2.79Å; F88-Y91 HydrophobicContact CD2-CD1 4.2Å; F88-Y91 HydrophobicContact CE2-CD1 4.28Å; F88-Y91 HydrophobicContact CE2-CE1 4.46Å; F88-Y91 PolarHBondContact O-N 2.76Å; Y91-L93 VanDerWaalsContact C-N 3.34Å; Y91-L93 PolarHBondContact O-N 2.99Å; Y91-L94 PolarHBondContact O-N 3.36Å; Y91-K95 PolarHBondContact O-N 3.5Å; Y91-I114 HydrophobicContact CE2-CD1 4.27Å; Y91-F179 AromaticContact CD2-CD1 3.63Å; Y91-F179 HydrophobicContact CD2-CD1 3.63Å; Y91-F179 HydrophobicContact CD2-CD2 4.43Å; Y91-F179 AromaticContact CD2-CE1 3.85Å; Y91-F179 HydrophobicContact CD2-CE1 3.85Å; Y91-F179 AromaticContact CD2-CG 3.94Å; Y91-F179 HydrophobicContact CD2-CG 3.94Å; Y91-F179 HydrophobicContact CD2-CZ 4.35Å; Y91-F179 HydrophobicContact CE2-CD1 4.4Å; Y91-C182 HydrophobicContact CD1-CB 4.08Å; Y91-C182 HydrophobicContact CD2-CB 4.49Å; Y91-C182 HydrophobicContact CE1-CB 3.56Å; Y91-C182 HydrophobicContact CE2-CB 4.02Å; Y91-E183 HydrophobicContact CE2-CG 4.39Å; Y91-E183 WeakPolarHBondContact CE2-OE1 3.47Å; Y91-E183 PolarHBondContact OH-OE1 2.84Å
92K98.2Very high96.4Very high120 Ų12051.2 Ų51.252%0.52227%0.27SS..Hα-helixtrans-62.5-41.2177.2-78.4-175168.7177.90112.4F88 A89 Y90 K95 K96F88-K92 HydrophobicContact CD1-CD 4.47Å; F88-K92 HydrophobicContact CE1-CD 3.99Å; F88-K92 HydrophobicContact CZ-CD 4.2Å; F88-K92 PolarHBondContact O-N 3.39Å; F88-K92 VanDerWaalsContact O-N 3.07Å; A89-K92 PolarHBondContact O-N 3.2Å; Y90-K92 VanDerWaalsContact C-N 3.32Å; Y90-K92 PolarHBondContact O-N 3.22Å; K92-K95 PolarHBondContact O-N 3.43Å; K92-K96 PolarHBondContact O-N 3.33Å; K92-K96 VanDerWaalsContact O-N 3.08Å
93L97.9Very high96Very high87 Ų8753.9 Ų53.946%0.45529%0.293SS..Hα-helixtrans-62.4-46.8177.7-179.464.6000111.2F41 A89 Y90 Y91 K95 K96 A97F41-L93 HydrophobicContact CE2-CD2 3.78Å; F41-L93 HydrophobicContact CZ-CD2 3.56Å; A89-L93 PolarHBondContact O-N 3.43Å; Y90-L93 HydrophobicContact CD2-CD2 4.33Å; Y90-L93 WeakPolarHBondContact O-CB 3.43Å; Y90-L93 PolarHBondContact O-N 3.35Å; Y90-L93 VanDerWaalsContact O-N 3.16Å; Y91-L93 VanDerWaalsContact C-N 3.34Å; Y91-L93 PolarHBondContact O-N 2.99Å; L93-K95 VanDerWaalsContact C-N 3.35Å; L93-K95 PolarHBondContact O-N 3.21Å; L93-K96 PolarHBondContact O-N 2.92Å; L93-A97 WeakPolarHBondContact O-CB 3.36Å; L93-A97 PolarHBondContact O-N 2.85Å
94L97Very high95.7Very high12 Ų1260.2 Ų60.26%0.06333%0.326CS..Hα-helixtrans-62-41.5178.2-73.7178.5000112.1I34 Y90 Y91 K96 A97 D98 M117 F179I34-L94 HydrophobicContact CD1-CD2 4.4Å; I34-L94 HydrophobicContact CG1-CD2 3.91Å; I34-L94 HydrophobicContact CG2-CD1 4.15Å; I34-L94 HydrophobicContact CG2-CD2 4.15Å; Y90-L94 HydrophobicContact CD1-CD1 4.05Å; Y90-L94 HydrophobicContact CD2-CG 4.23Å; Y90-L94 HydrophobicContact CE1-CD1 3.62Å; Y90-L94 HydrophobicContact CE1-CG 4.21Å; Y90-L94 HydrophobicContact CE2-CD1 4.16Å; Y90-L94 HydrophobicContact CE2-CD2 3.92Å; Y90-L94 HydrophobicContact CE2-CG 3.8Å; Y90-L94 HydrophobicContact CG-CD1 4.49Å; Y90-L94 WeakPolarHBondContact O-CG 3.23Å; Y90-L94 PolarHBondContact O-N 3.48Å; Y91-L94 PolarHBondContact O-N 3.36Å; L94-K96 PolarHBondContact O-N 3.3Å; L94-A97 PolarHBondContact O-N 2.91Å; L94-D98 WeakPolarHBondContact O-CB 3.34Å; L94-D98 PolarHBondContact O-N 3.34Å; L94-M117 HydrophobicContact CB-SD 4Å; L94-M117 HydrophobicContact CD1-CB 4.29Å; L94-F179 HydrophobicContact CD1-CE1 4.03Å; L94-F179 HydrophobicContact CD1-CZ 3.97Å
95K95.6Very high95.3Very high71 Ų7161.8 Ų61.831%0.30934%0.338SS..Hα-helixtrans-60.5-45.7176.1-171.6167.4-171154.30111.9Y91 K92 L93 A97 D98 E99 E183Y91-K95 PolarHBondContact O-N 3.5Å; K92-K95 PolarHBondContact O-N 3.43Å; L93-K95 VanDerWaalsContact C-N 3.35Å; L93-K95 PolarHBondContact O-N 3.21Å; K95-A97 VanDerWaalsContact C-N 3.35Å; K95-A97 PolarHBondContact O-N 3.33Å; K95-D98 PolarHBondContact O-N 3Å; K95-E99 WeakPolarHBondContact O-CG 3.45Å; K95-E99 PolarHBondContact O-N 3Å; K95-E183 IonicContact NZ-OE1 2.8Å; K95-E183 PolarHBondContact NZ-OE1 2.88Å; K95-E183 IonicContact NZ-OE2 3.47Å; K95-E183 PolarHBondContact NZ-OE2 3.49Å
96K95.9Very high94.7Very high156 Ų15667.1 Ų67.168%0.67836%0.357SS*.Hα-helixtrans-64.9-38.5176.2-174.1174.2-178.5178.30112.3K92 L93 L94 G100K92-K96 PolarHBondContact O-N 3.33Å; K92-K96 VanDerWaalsContact O-N 3.08Å; L93-K96 PolarHBondContact O-N 2.92Å; L94-K96 PolarHBondContact O-N 3.3Å; K96-G100 PolarHBondContact O-N 3.29Å
97A94.5Very high94.2Very high48 Ų4871.5 Ų71.540%0.39738%0.382SS..Hα-helixtrans-66.1-41.6176.700000111.5L93 L94 K95 G100 L101L93-A97 WeakPolarHBondContact O-CB 3.36Å; L93-A97 PolarHBondContact O-N 2.85Å; L94-A97 PolarHBondContact O-N 2.91Å; K95-A97 VanDerWaalsContact C-N 3.35Å; K95-A97 PolarHBondContact O-N 3.33Å; A97-G100 PolarHBondContact O-N 3.09Å; A97-L101 WeakPolarHBondContact O-CG 3.44Å; A97-L101 PolarHBondContact O-N 3.41Å
98D92.8Very high93.4Very high21 Ų2174 Ų7411%0.11241%0.408CS..Hα-helixtrans-64.4-44.7177-17161.4000112.1L94 K95 G100 L101 A102 S110 M117L94-D98 WeakPolarHBondContact O-CB 3.34Å; L94-D98 PolarHBondContact O-N 3.34Å; K95-D98 PolarHBondContact O-N 3Å; D98-G100 VanDerWaalsContact C-N 3.29Å; D98-G100 PolarHBondContact O-N 3Å; D98-L101 PolarHBondContact O-N 3.29Å; D98-A102 WeakPolarHBondContact O-CB 3.38Å; D98-A102 PolarHBondContact O-N 3.44Å; D98-S110 VanDerWaalsContact OD1-CB 3.31Å; D98-S110 WeakPolarHBondContact OD1-CB 3.12Å; D98-S110 VanDerWaalsContact OD2-CB 3.26Å; D98-S110 WeakPolarHBondContact OD2-CB 3.4Å; D98-S110 PolarHBondContact OD2-OG 2.86Å; D98-M117 HydrophobicContact CB-CE 3.78Å; D98-M117 HydrophobicContact CB-SD 4.2Å
99E92.4Very high92.7Very high114 Ų11479.1 Ų79.153%0.53343%0.425SS..Hα-helixtrans-58.4-41.5172.5-72167.9-170.500111.7K95 A102 S103K95-E99 WeakPolarHBondContact O-CG 3.45Å; K95-E99 PolarHBondContact O-N 3Å; E99-A102 PolarHBondContact O-N 2.82Å; E99-S103 PolarHBondContact O-N 3.31Å
100G92.3Very high92.1Very high32 Ų3279.9 Ų79.933%0.3343%0.428SS..Hα-helixtrans-61.8-46.4175.100000112.6K96 A97 D98 S103K96-G100 PolarHBondContact O-N 3.29Å; A97-G100 PolarHBondContact O-N 3.09Å; D98-G100 VanDerWaalsContact C-N 3.29Å; D98-G100 PolarHBondContact O-N 3Å; G100-S103 PolarHBondContact O-N 3.26Å; G100-S103 PolarHBondContact O-OG 2.92Å
101L90.7Very high91.5Very high73 Ų7383.5 Ų83.538%0.38245%0.451SS..Hα-helixtrans-67.3-39.3177.7-68.8172.7000112.3L30 A97 D98 S103 L104 S105 P111L30-L101 HydrophobicContact CD1-CD1 4.17Å; A97-L101 WeakPolarHBondContact O-CG 3.44Å; A97-L101 PolarHBondContact O-N 3.41Å; D98-L101 PolarHBondContact O-N 3.29Å; L101-S103 VanDerWaalsContact C-N 3.29Å; L101-S103 PolarHBondContact O-N 3.02Å; L101-L104 PolarHBondContact O-N 2.89Å; L101-L104 VanDerWaalsContact O-N 3.15Å; L101-S105 PolarHBondContact O-N 2.59Å; L101-P111 HydrophobicContact CB-CG 4.04Å; L101-P111 HydrophobicContact CD1-CG 3.97Å
102A91.5Very high91.1Very high16 Ų1683 Ų8313%0.13245%0.45CS..Hα-helixtrans-64.2-33.8176.400000112.1D98 E99 L104 S105 G108D98-A102 WeakPolarHBondContact O-CB 3.38Å; D98-A102 PolarHBondContact O-N 3.44Å; E99-A102 PolarHBondContact O-N 2.82Å; A102-L104 PolarHBondContact O-N 3.42Å; A102-S105 PolarHBondContact O-N 3.01Å; A102-S105 PolarHBondContact O-OG 3.2Å; A102-S105 VanDerWaalsContact O-OG 3.13Å; A102-G108 WeakPolarHBondContact O-CA 3.31Å
103S92Very high90.8Very high95 Ų9579.6 Ų79.666%0.66444%0.441SS*.Hα-helixtrans-68.4-18.7175.575.60000114.1E99 G100 L101E99-S103 PolarHBondContact O-N 3.31Å; G100-S103 PolarHBondContact O-N 3.26Å; G100-S103 PolarHBondContact O-OG 2.92Å; L101-S103 VanDerWaalsContact C-N 3.29Å; L101-S103 PolarHBondContact O-N 3.02Å
104L90.9Very high90.6Very high144 Ų14478.3 Ų78.375%0.75443%0.434SS*.Hα-helixtrans-99.7-9.8178.7-63.5175.8000113.1L101 A102L101-L104 PolarHBondContact O-N 2.89Å; L101-L104 VanDerWaalsContact O-N 3.15Å; A102-L104 PolarHBondContact O-N 3.42Å
105S89.6Confident90.4Very high43 Ų4384.6 Ų84.630%0.30146%0.457SS..SBendtrans-83.3138-179.671.20000111L101 A102 D107 G108 R109L101-S105 PolarHBondContact O-N 2.59Å; A102-S105 PolarHBondContact O-N 3.01Å; A102-S105 PolarHBondContact O-OG 3.2Å; A102-S105 VanDerWaalsContact O-OG 3.13Å; S105-D107 PolarHBondContact O-N 2.97Å; S105-G108 PolarHBondContact O-N 3.01Å; S105-G108 WeakPolarHBondContact OG-CA 3.11Å; S105-G108 PolarHBondContact OG-N 2.73Å; S105-R109 PolarHBondContact OG-N 3.4Å; S105-R109 PolarHBondContact OG-O 3.11Å
106E87.3Confident90.4Very high201 Ų20184 Ų8494%0.93946%0.455SS*.THydrogen-bonded Turntrans-58.9-33.6-178.6-65.1-175.9160.500112.4
107D87.4Confident90.5Very high128 Ų12876.8 Ų76.868%0.68442%0.424SS*.THydrogen-bonded Turntrans-87.6-4177.8-70.4-19.3000113.7S105 R109S105-D107 PolarHBondContact O-N 2.97Å; D107-R109 HydrophobicContact CB-CB 4.41Å; D107-R109 HydrophobicContact CB-CG 4.09Å; D107-R109 PolarHBondContact O-N 3.39Å; D107-R109 VanDerWaalsContact O-N 3.16Å
108G82.2Confident90.6Very high52 Ų5274.6 Ų74.654%0.53641%0.406SS..  trans6316.1-173.600000114.4A102 S105A102-G108 WeakPolarHBondContact O-CA 3.31Å; S105-G108 PolarHBondContact O-N 3.01Å; S105-G108 WeakPolarHBondContact OG-CA 3.11Å; S105-G108 PolarHBondContact OG-N 2.73Å
109R84.5Confident90.9Very high187 Ų18775.9 Ų75.971%0.70641%0.41SS*.  trans-94.1141.6-177.9-68.2-178.6-179.5-179.92.8111.2S105 D107S105-R109 PolarHBondContact OG-N 3.4Å; S105-R109 PolarHBondContact OG-O 3.11Å; D107-R109 HydrophobicContact CB-CB 4.41Å; D107-R109 HydrophobicContact CB-CG 4.09Å; D107-R109 PolarHBondContact O-N 3.39Å; D107-R109 VanDerWaalsContact O-N 3.16Å
110S84.4Confident91.1Very high59 Ų5970.5 Ų70.541%0.41339%0.385SS..  trans-62130.3168.9-630000110.5D98 I112D98-S110 VanDerWaalsContact OD1-CB 3.31Å; D98-S110 WeakPolarHBondContact OD1-CB 3.12Å; D98-S110 VanDerWaalsContact OD2-CB 3.26Å; D98-S110 WeakPolarHBondContact OD2-CB 3.4Å; D98-S110 PolarHBondContact OD2-OG 2.86Å; S110-I112 PolarHBondContact O-N 3.39Å
111P85.8Confident91.4Very high77 Ų7769 Ų6950%0.537%0.369SS..SBendtrans-69-22.5177.828.1-34.4000112.6L30 L101L30-P111 HydrophobicContact CD2-CB 4.08Å; L30-P111 HydrophobicContact CD2-CG 3.89Å; L101-P111 HydrophobicContact CB-CG 4.04Å; L101-P111 HydrophobicContact CD1-CG 3.97Å
112I89.2Confident91.8Very high6 Ų665.5 Ų65.53%0.03135%0.351CS..SBendtrans-134.3140.9-178.5-169.8168.5000111.2L30 R31 I34 S110 Q116 M117L30-I112 HydrophobicContact CD2-CB 3.91Å; L30-I112 HydrophobicContact CD2-CG2 3.85Å; R31-I112 HydrophobicContact CG-CD1 3.97Å; I34-I112 HydrophobicContact CD1-CD1 3.68Å; S110-I112 PolarHBondContact O-N 3.39Å; I112-Q116 HydrophobicContact CD1-CB 3.91Å; I112-Q116 HydrophobicContact CG1-CB 3.67Å; I112-M117 HydrophobicContact CB-CG 4.49Å; I112-M117 HydrophobicContact CD1-CG 3.96Å; I112-M117 HydrophobicContact CG1-CG 4.06Å; I112-M117 HydrophobicContact CG2-CE 4.26Å; I112-M117 HydrophobicContact CG2-CG 3.67Å; I112-M117 HydrophobicContact CG2-SD 3.83Å
113S92.6Very high92.2Very high50 Ų5064.7 Ų64.735%0.3534%0.344SS..  trans-76.1147.8174.966.20000111.8R115 Q116 M117S113-R115 PolarHBondContact O-N 3.38Å; S113-R115 VanDerWaalsContact O-N 3.12Å; S113-Q116 VanDerWaalsContact N-OE1 3.15Å; S113-Q116 WeakPolarHBondContact O-CB 3.21Å; S113-Q116 PolarHBondContact O-N 3.32Å; S113-Q116 WeakPolarHBondContact OG-CG 3.27Å; S113-Q116 PolarHBondContact OG-N 3.32Å; S113-Q116 PolarHBondContact OG-OE1 3.01Å; S113-M117 PolarHBondContact O-N 3.29Å
114I92.9Very high92.5Very high59 Ų5960.2 Ų60.230%0.30331%0.313SS..Hα-helixtrans-54.2-33.4174.6-169.960.9000113.3Y91 M117 A118 F179 E183Y91-I114 HydrophobicContact CE2-CD1 4.27Å; I114-M117 HydrophobicContact CB-CE 4.27Å; I114-M117 HydrophobicContact CD1-CE 3.77Å; I114-M117 PolarHBondContact O-N 3.27Å; I114-A118 WeakPolarHBondContact O-CB 3.25Å; I114-A118 PolarHBondContact O-N 3.11Å; I114-F179 HydrophobicContact CD1-CD1 3.94Å; I114-F179 HydrophobicContact CD1-CE1 4.45Å; I114-E183 HydrophobicContact CG1-CG 3.98Å
115R93.8Very high92.9Very high145 Ų14553.4 Ų53.455%0.54728%0.277SS..Hα-helixtrans-66.6-39.3176.8-173.4-177.663.5155.92.3112S113 Y119 A232S113-R115 PolarHBondContact O-N 3.38Å; S113-R115 VanDerWaalsContact O-N 3.12Å; R115-Y119 WeakPolarHBondContact O-CB 3.42Å; R115-Y119 PolarHBondContact O-N 2.9Å; R115-Y119 VanDerWaalsContact O-N 3.07Å; R115-A232 PolarHBondContact NH1-O 2.98Å
116Q95.7Very high93.3Very high58 Ų5851.3 Ų51.327%0.27126%0.263SS..Hα-helixtrans-69.2-42.5174.7-74.7165.1-46.700110.7I112 S113 A118 Y119 V120I112-Q116 HydrophobicContact CD1-CB 3.91Å; I112-Q116 HydrophobicContact CG1-CB 3.67Å; S113-Q116 VanDerWaalsContact N-OE1 3.15Å; S113-Q116 WeakPolarHBondContact O-CB 3.21Å; S113-Q116 PolarHBondContact O-N 3.32Å; S113-Q116 WeakPolarHBondContact OG-CG 3.27Å; S113-Q116 PolarHBondContact OG-N 3.32Å; S113-Q116 PolarHBondContact OG-OE1 3.01Å; Q116-A118 VanDerWaalsContact C-N 3.32Å; Q116-A118 PolarHBondContact O-N 2.8Å; Q116-Y119 PolarHBondContact O-N 3.25Å; Q116-V120 WeakPolarHBondContact O-CB 3.45Å; Q116-V120 VanDerWaalsContact O-CG2 3.29Å; Q116-V120 WeakPolarHBondContact O-CG2 3.36Å; Q116-V120 PolarHBondContact O-N 3.49Å
117M97Very high93.8Very high4 Ų443.7 Ų43.72%0.0223%0.228CC..Hα-helixtrans-56.1-46.7173.7-68.6-165.2-86.600111.7I34 L94 D98 I112 S113 I114 Y119 S121 F179I34-M117 HydrophobicContact CD1-CG 4.18Å; L94-M117 HydrophobicContact CB-SD 4Å; L94-M117 HydrophobicContact CD1-CB 4.29Å; D98-M117 HydrophobicContact CB-CE 3.78Å; D98-M117 HydrophobicContact CB-SD 4.2Å; I112-M117 HydrophobicContact CB-CG 4.49Å; I112-M117 HydrophobicContact CD1-CG 3.96Å; I112-M117 HydrophobicContact CG1-CG 4.06Å; I112-M117 HydrophobicContact CG2-CE 4.26Å; I112-M117 HydrophobicContact CG2-CG 3.67Å; I112-M117 HydrophobicContact CG2-SD 3.83Å; S113-M117 PolarHBondContact O-N 3.29Å; I114-M117 HydrophobicContact CB-CE 4.27Å; I114-M117 HydrophobicContact CD1-CE 3.77Å; I114-M117 PolarHBondContact O-N 3.27Å; M117-Y119 PolarHBondContact O-N 3.36Å; M117-S121 WeakPolarHBondContact O-CB 3.45Å; M117-S121 PolarHBondContact O-N 3.35Å; M117-F179 HydrophobicContact CB-CE1 4.29Å
118A97.8Very high94.4Very high3 Ų339.1 Ų39.13%0.02520%0.203CC..Hα-helixtrans-58.9-48177.300000112.9I114 Q116 G122 F179I114-A118 WeakPolarHBondContact O-CB 3.25Å; I114-A118 PolarHBondContact O-N 3.11Å; Q116-A118 VanDerWaalsContact C-N 3.32Å; Q116-A118 PolarHBondContact O-N 2.8Å; A118-G122 PolarHBondContact O-N 3.33Å; A118-F179 VanDerWaalsContact CA-CD1 3.46Å; A118-F179 HydrophobicContact CB-CB 3.38Å; A118-F179 HydrophobicContact CB-CD1 3.5Å; A118-F179 VanDerWaalsContact CB-CD1 3.5Å; A118-F179 HydrophobicContact CB-CD2 4.04Å; A118-F179 HydrophobicContact CB-CE1 4.27Å; A118-F179 HydrophobicContact CB-CG 3.37Å
119Y98Very high95.1Very high47 Ų4736.9 Ų36.918%0.18418%0.18CC..Hα-helixtrans-63.5-49.6179.5163.6-101.6000112L20 T24 R115 Q116 M117 G122 L123 T172L20-Y119 VanDerWaalsContact CB-OH 3.31Å; L20-Y119 WeakPolarHBondContact CB-OH 3.49Å; L20-Y119 HydrophobicContact CD1-CE2 4.43Å; L20-Y119 WeakPolarHBondContact CD2-OH 3.23Å; T24-Y119 HydrophobicContact CG2-CE1 4.34Å; T24-Y119 VanDerWaalsContact OG1-CE1 3.23Å; T24-Y119 WeakPolarHBondContact OG1-CE1 3.31Å; T24-Y119 PolarHBondContact OG1-OH 2.96Å; R115-Y119 WeakPolarHBondContact O-CB 3.42Å; R115-Y119 PolarHBondContact O-N 2.9Å; R115-Y119 VanDerWaalsContact O-N 3.07Å; Q116-Y119 PolarHBondContact O-N 3.25Å; M117-Y119 PolarHBondContact O-N 3.36Å; Y119-G122 PolarHBondContact O-N 2.98Å; Y119-L123 WeakPolarHBondContact O-CB 3.16Å; Y119-L123 PolarHBondContact O-N 3.34Å; Y119-T172 HydrophobicContact CD2-CG2 3.82Å; Y119-T172 HydrophobicContact CE2-CG2 3.81Å
120V98.4Very high95.8Very high1 Ų128 Ų281%0.00615%0.146CC..Hα-helixtrans-67.2-39.2-179.5178.90000110.9V25 R31 I34 L35 Q116 L123 S124V25-V120 HydrophobicContact CG2-CG1 4.38Å; V25-V120 HydrophobicContact CG2-CG2 4.06Å; R31-V120 HydrophobicContact CB-CG1 4.45Å; R31-V120 HydrophobicContact CB-CG2 4.19Å; R31-V120 HydrophobicContact CG-CG2 4.24Å; R31-V120 WeakPolarHBondContact O-CG1 3.44Å; I34-V120 HydrophobicContact CB-CG1 4.12Å; I34-V120 HydrophobicContact CG2-CB 4.1Å; I34-V120 HydrophobicContact CG2-CG1 3.79Å; L35-V120 HydrophobicContact CB-CG1 3.85Å; L35-V120 HydrophobicContact CD1-CG1 4.38Å; Q116-V120 WeakPolarHBondContact O-CB 3.45Å; Q116-V120 VanDerWaalsContact O-CG2 3.29Å; Q116-V120 WeakPolarHBondContact O-CG2 3.36Å; Q116-V120 PolarHBondContact O-N 3.49Å; V120-L123 PolarHBondContact O-N 2.89Å; V120-S124 WeakPolarHBondContact O-CB 3.32Å; V120-S124 PolarHBondContact O-N 3.2Å; V120-S124 PolarHBondContact O-OG 2.92Å
121S98.4Very high96.4Very high0 Ų027.7 Ų27.70%014%0.142CC..Hα-helixtrans-61-46.5173172.50000111.7Y90 M117 S124 F125Y90-S121 VanDerWaalsContact CD1-OG 3.23Å; Y90-S121 WeakPolarHBondContact CD1-OG 3.47Å; Y90-S121 WeakPolarHBondContact CE1-OG 3.44Å; M117-S121 WeakPolarHBondContact O-CB 3.45Å; M117-S121 PolarHBondContact O-N 3.35Å; S121-S124 PolarHBondContact O-N 2.77Å; S121-S124 PolarHBondContact O-OG 3.5Å; S121-F125 WeakPolarHBondContact O-CD2 3.33Å; S121-F125 PolarHBondContact O-N 3.08Å; S121-F125 VanDerWaalsContact O-N 3.17Å
122G98.6Very high97Very high0 Ų030.1 Ų30.10%014%0.144CC..Hα-helixtrans-61.4-46.4176.100000112.2A118 Y119 S124 F125 G126 H171 T172A118-G122 PolarHBondContact O-N 3.33Å; Y119-G122 PolarHBondContact O-N 2.98Å; G122-S124 VanDerWaalsContact C-N 3.28Å; G122-S124 PolarHBondContact O-N 3.24Å; G122-F125 PolarHBondContact O-N 2.8Å; G122-G126 PolarHBondContact O-N 3.23Å; G122-H171 VanDerWaalsContact CA-O 3.24Å; G122-H171 WeakPolarHBondContact CA-O 3.44Å; G122-H171 CarbonylContact O-C 3.56Å; G122-T172 PolarHBondContact O-N 3.12Å
123L98.7Very high97.2Very high0 Ų032.6 Ų32.60%016%0.163CC..Hα-helixtrans-59-40.4177-178.462.8000111.6A17 L20 V25 L35 Y119 V120 G126 I127 T172A17-L123 HydrophobicContact CB-CD1 4.2Å; L20-L123 HydrophobicContact CB-CD1 4.35Å; L20-L123 HydrophobicContact CB-CD2 4.22Å; L20-L123 HydrophobicContact CD1-CD1 4.24Å; V25-L123 HydrophobicContact CG2-CD2 4.06Å; L35-L123 HydrophobicContact CD1-CD2 4.11Å; L35-L123 HydrophobicContact CD1-CG 4.22Å; Y119-L123 WeakPolarHBondContact O-CB 3.16Å; Y119-L123 PolarHBondContact O-N 3.34Å; V120-L123 PolarHBondContact O-N 2.89Å; L123-G126 PolarHBondContact O-N 2.94Å; L123-I127 HydrophobicContact CD1-CD1 3.92Å; L123-I127 HydrophobicContact CD1-CG1 4.11Å; L123-I127 HydrophobicContact CD2-CD1 4.42Å; L123-I127 HydrophobicContact CG-CD1 3.82Å; L123-I127 HydrophobicContact CG-CG1 4.38Å; L123-I127 WeakPolarHBondContact O-CG1 3.24Å; L123-I127 PolarHBondContact O-N 2.76Å; L123-T172 WeakPolarHBondContact CA-OG1 3.34Å; L123-T172 HydrophobicContact CB-CG2 4.32Å
124S98.7Very high97.3Very high1 Ų130.3 Ų30.31%0.00715%0.146CC..Hα-helixtrans-62.8-48.417869.60000113.1L35 G38 V120 S121 G122 G126 I127 I128L35-S124 WeakPolarHBondContact O-CB 3.38Å; G38-S124 VanDerWaalsContact CA-OG 3.3Å; G38-S124 WeakPolarHBondContact CA-OG 3.37Å; V120-S124 WeakPolarHBondContact O-CB 3.32Å; V120-S124 PolarHBondContact O-N 3.2Å; V120-S124 PolarHBondContact O-OG 2.92Å; S121-S124 PolarHBondContact O-N 2.77Å; S121-S124 PolarHBondContact O-OG 3.5Å; G122-S124 VanDerWaalsContact C-N 3.28Å; G122-S124 PolarHBondContact O-N 3.24Å; S124-G126 VanDerWaalsContact C-N 3.25Å; S124-G126 PolarHBondContact O-N 2.9Å; S124-I127 PolarHBondContact O-N 2.95Å; S124-I128 WeakPolarHBondContact O-CG2 3.14Å; S124-I128 PolarHBondContact O-N 3.44Å; S124-I128 VanDerWaalsContact O-N 3.11Å
125F98.7Very high97.4Very high0 Ų031.9 Ų31.90%016%0.155CC..Hα-helixtrans-59.3-42.3176.2-86.7-126.9000109.9G38 F41 W42 R87 Y90 S121 G122 S129 H171G38-F125 WeakPolarHBondContact O-CD2 3.1Å; G38-F125 WeakPolarHBondContact O-CE2 3.29Å; F41-F125 HydrophobicContact CB-CE2 4.21Å; F41-F125 HydrophobicContact CB-CZ 4.12Å; W42-F125 HydrophobicContact CB-CD1 3.98Å; W42-F125 HydrophobicContact CB-CD2 4.25Å; W42-F125 HydrophobicContact CB-CE1 4.14Å; W42-F125 HydrophobicContact CB-CE2 4.4Å; W42-F125 HydrophobicContact CB-CG 4.04Å; W42-F125 HydrophobicContact CB-CZ 4.35Å; W42-F125 AromaticContact CD1-CD1 3.49Å; W42-F125 VanDerWaalsContact CD1-CD1 3.49Å; W42-F125 HydrophobicContact CG-CD1 4.12Å; W42-F125 HydrophobicContact CG-CG 4.37Å; R87-F125 HydrophobicContact CB-CE1 3.93Å; R87-F125 HydrophobicContact CB-CZ 4.2Å; Y90-F125 HydrophobicContact CD1-CE2 4.03Å; S121-F125 WeakPolarHBondContact O-CD2 3.33Å; S121-F125 PolarHBondContact O-N 3.08Å; S121-F125 VanDerWaalsContact O-N 3.17Å; G122-F125 PolarHBondContact O-N 2.8Å; F125-S129 WeakPolarHBondContact O-CB 3.35Å; F125-S129 PolarHBondContact O-N 2.81Å; F125-S129 PolarHBondContact O-OG 3.01Å; F125-H171 HydrophobicContact CB-CB 4.28Å
126G98.8Very high97.4Very high0 Ų030.7 Ų30.70%016%0.159CC..Hα-helixtrans-61.1-55.5176.900000112.8G122 L123 S124 I128 S129 G130 I168 H171G122-G126 PolarHBondContact O-N 3.23Å; L123-G126 PolarHBondContact O-N 2.94Å; S124-G126 VanDerWaalsContact C-N 3.25Å; S124-G126 PolarHBondContact O-N 2.9Å; G126-I128 PolarHBondContact O-N 3.16Å; G126-S129 PolarHBondContact O-N 3.47Å; G126-S129 PolarHBondContact O-OG 2.92Å; G126-G130 PolarHBondContact O-N 3.48Å; G126-I168 VanDerWaalsContact O-CG1 3.23Å; G126-I168 WeakPolarHBondContact O-CG1 3.3Å; G126-H171 VanDerWaalsContact CA-CB 3.42Å
127I98.7Very high97.2Very high40 Ų4029.2 Ų29.221%0.20515%0.153CC..Hα-helixtrans-57.6-50.1-176.9-71.2170.4000110.7A17 L35 L123 S124 S129 G130 V131 I168A17-I127 HydrophobicContact CB-CD1 4.41Å; A17-I127 HydrophobicContact CB-CG1 3.95Å; L35-I127 HydrophobicContact CD1-CD1 4.28Å; L123-I127 HydrophobicContact CD1-CD1 3.92Å; L123-I127 HydrophobicContact CD1-CG1 4.11Å; L123-I127 HydrophobicContact CD2-CD1 4.42Å; L123-I127 HydrophobicContact CG-CD1 3.82Å; L123-I127 HydrophobicContact CG-CG1 4.38Å; L123-I127 WeakPolarHBondContact O-CG1 3.24Å; L123-I127 PolarHBondContact O-N 2.76Å; S124-I127 PolarHBondContact O-N 2.95Å; I127-S129 VanDerWaalsContact C-N 3.34Å; I127-S129 PolarHBondContact O-N 3.42Å; I127-G130 PolarHBondContact O-N 3.38Å; I127-V131 HydrophobicContact CG2-CG2 4.49Å; I127-V131 WeakPolarHBondContact O-CG2 3.44Å; I127-V131 PolarHBondContact O-N 2.73Å; I127-I168 HydrophobicContact CG1-CG2 4.43Å
128I98.7Very high97Very high32 Ų3229.7 Ų29.716%0.16416%0.155CC..Hα-helixtrans-69.7-34.2-176.3-16557.4000112.1A39 W42 L43 S124 G126 G130 V131 F132A39-I128 HydrophobicContact CB-CB 3.82Å; A39-I128 HydrophobicContact CB-CG1 4.15Å; A39-I128 HydrophobicContact CB-CG2 3.99Å; W42-I128 HydrophobicContact CB-CG2 3.7Å; W42-I128 HydrophobicContact CD2-CG2 3.67Å; W42-I128 HydrophobicContact CE3-CB 4.34Å; W42-I128 HydrophobicContact CE3-CG1 4.08Å; W42-I128 HydrophobicContact CE3-CG2 3.5Å; W42-I128 HydrophobicContact CG-CG2 3.77Å; W42-I128 HydrophobicContact CZ3-CG1 4.44Å; W42-I128 HydrophobicContact CZ3-CG2 4.37Å; L43-I128 HydrophobicContact CD1-CD1 4.1Å; L43-I128 HydrophobicContact CD1-CG1 3.95Å; L43-I128 HydrophobicContact CD2-CD1 4.23Å; L43-I128 HydrophobicContact CD2-CG1 3.84Å; L43-I128 HydrophobicContact CG-CD1 4.29Å; L43-I128 HydrophobicContact CG-CG1 3.69Å; S124-I128 WeakPolarHBondContact O-CG2 3.14Å; S124-I128 PolarHBondContact O-N 3.44Å; S124-I128 VanDerWaalsContact O-N 3.11Å; G126-I128 PolarHBondContact O-N 3.16Å; I128-G130 VanDerWaalsContact C-N 3.33Å; I128-V131 PolarHBondContact O-N 3.17Å; I128-F132 PolarHBondContact O-N 3.3Å
129S98.4Very high96.8Very high6 Ų632 Ų324%0.04218%0.175CC..Hα-helixtrans-64.9-41.5174.1810000111.4W42 F125 G126 I127 F132 S133 H171W42-S129 VanDerWaalsContact CH2-CA 3.45Å; W42-S129 VanDerWaalsContact CZ2-CA 3.44Å; F125-S129 WeakPolarHBondContact O-CB 3.35Å; F125-S129 PolarHBondContact O-N 2.81Å; F125-S129 PolarHBondContact O-OG 3.01Å; G126-S129 PolarHBondContact O-N 3.47Å; G126-S129 PolarHBondContact O-OG 2.92Å; I127-S129 VanDerWaalsContact C-N 3.34Å; I127-S129 PolarHBondContact O-N 3.42Å; S129-F132 PolarHBondContact O-N 3.31Å; S129-S133 WeakPolarHBondContact O-CB 3.41Å; S129-S133 PolarHBondContact O-N 3.01Å; S129-S133 PolarHBondContact O-OG 3.48Å; S129-H171 PolarHBondContact OG-CD2 2.88Å; S129-H171 PolarHBondContact OG-NE2 3Å
130G98.3Very high96.3Very high0 Ų034.3 Ų34.30%019%0.19CC..Hα-helixtrans-65.1-40.3176.600000113.1G126 I127 I128 S133 V134G126-G130 PolarHBondContact O-N 3.48Å; I127-G130 PolarHBondContact O-N 3.38Å; I128-G130 VanDerWaalsContact C-N 3.33Å; G130-S133 WeakPolarHBondContact CA-OG 3.5Å; G130-S133 PolarHBondContact O-N 3.32Å; G130-S133 PolarHBondContact O-OG 3.36Å; G130-V134 WeakPolarHBondContact O-CG1 3.22Å; G130-V134 PolarHBondContact O-N 2.86Å
131V98.1Very high95.9Very high53 Ų5334.4 Ų34.432%0.32119%0.191SC..Hα-helixtrans-59.2-49.2173.1170.40000109.9F14 I127 I128 S133 I135F14-V131 HydrophobicContact CE1-CG2 3.75Å; F14-V131 HydrophobicContact CZ-CB 4.49Å; F14-V131 HydrophobicContact CZ-CG2 3.89Å; I127-V131 HydrophobicContact CG2-CG2 4.49Å; I127-V131 WeakPolarHBondContact O-CG2 3.44Å; I127-V131 PolarHBondContact O-N 2.73Å; I128-V131 PolarHBondContact O-N 3.17Å; V131-S133 VanDerWaalsContact C-N 3.32Å; V131-S133 PolarHBondContact O-N 2.81Å; V131-I135 HydrophobicContact CG1-CD1 4.42Å; V131-I135 VanDerWaalsContact O-CB 3.26Å; V131-I135 WeakPolarHBondContact O-CB 3.39Å; V131-I135 WeakPolarHBondContact O-CG2 3.21Å; V131-I135 PolarHBondContact O-N 3.39Å; V131-I135 VanDerWaalsContact O-N 3.12Å
132F96.7Very high95.4Very high127 Ų12738.9 Ų38.956%0.55721%0.214SC*.Hα-helixtrans-66.1-33.4-179.1-160.4-87.8000112.9W42 L46 I128 S129W42-F132 HydrophobicContact CH2-CB 3.77Å; W42-F132 HydrophobicContact CH2-CD1 4.46Å; W42-F132 HydrophobicContact CH2-CG 4.18Å; W42-F132 HydrophobicContact CZ3-CB 3.87Å; W42-F132 HydrophobicContact CZ3-CG 4.26Å; L46-F132 HydrophobicContact CD2-CD1 3.47Å; L46-F132 VanDerWaalsContact CD2-CD1 3.47Å; L46-F132 HydrophobicContact CD2-CD2 4.06Å; L46-F132 HydrophobicContact CD2-CE1 3.45Å; L46-F132 VanDerWaalsContact CD2-CE1 3.45Å; L46-F132 HydrophobicContact CD2-CE2 4.03Å; L46-F132 HydrophobicContact CD2-CG 3.79Å; L46-F132 HydrophobicContact CD2-CZ 3.73Å; I128-F132 PolarHBondContact O-N 3.3Å; S129-F132 PolarHBondContact O-N 3.31Å
133S94.4Very high94.3Very high59 Ų5940.9 Ų40.941%0.41324%0.235SC..Hα-helixtrans-74.5-31.3-177.7660000113.9S129 G130 V131 T164S129-S133 WeakPolarHBondContact O-CB 3.41Å; S129-S133 PolarHBondContact O-N 3.01Å; S129-S133 PolarHBondContact O-OG 3.48Å; G130-S133 WeakPolarHBondContact CA-OG 3.5Å; G130-S133 PolarHBondContact O-N 3.32Å; G130-S133 PolarHBondContact O-OG 3.36Å; V131-S133 VanDerWaalsContact C-N 3.32Å; V131-S133 PolarHBondContact O-N 2.81Å; S133-T164 PolarHBondContact OG-OG1 3.27Å
134V95.5Very high92.7Very high1 Ų147.3 Ų47.31%0.00628%0.277CS..Hα-helixtrans-121.1-11.7-166.3880000115F14 G130 N136 I137 L138 T164F14-V134 HydrophobicContact CE2-CG1 3.65Å; F14-V134 HydrophobicContact CZ-CG1 3.84Å; G130-V134 WeakPolarHBondContact O-CG1 3.22Å; G130-V134 PolarHBondContact O-N 2.86Å; V134-N136 VanDerWaalsContact C-N 3.33Å; V134-N136 PolarHBondContact O-N 3.39Å; V134-I137 HydrophobicContact CG2-CB 4.18Å; V134-I137 HydrophobicContact CG2-CG2 4.41Å; V134-I137 WeakPolarHBondContact O-CB 3.42Å; V134-I137 PolarHBondContact O-N 2.75Å; V134-I137 VanDerWaalsContact O-N 3.12Å; V134-L138 HydrophobicContact CG1-CD1 3.79Å; V134-L138 HydrophobicContact CG1-CG 4.19Å; V134-L138 HydrophobicContact CG2-CG 4.19Å; V134-L138 WeakPolarHBondContact O-CG 3.41Å; V134-L138 PolarHBondContact O-N 3.06Å; V134-T164 HydrophobicContact CB-CG2 4.21Å; V134-T164 HydrophobicContact CG1-CG2 4.11Å
135I94.8Very high91.1Very high93 Ų9349.2 Ų49.248%0.47730%0.296SS..Hα-helixtrans-58.4-42.4-173.7-166165.2000113.2V131 L138 A139V131-I135 HydrophobicContact CG1-CD1 4.42Å; V131-I135 VanDerWaalsContact O-CB 3.26Å; V131-I135 WeakPolarHBondContact O-CB 3.39Å; V131-I135 WeakPolarHBondContact O-CG2 3.21Å; V131-I135 PolarHBondContact O-N 3.39Å; V131-I135 VanDerWaalsContact O-N 3.12Å; I135-L138 PolarHBondContact O-N 3.41Å; I135-A139 PolarHBondContact O-N 3.45Å
136N93.1Very high89.7Confident119 Ų11954 Ų5464%0.63633%0.325SS*.Hα-helixtrans-69.3-40.7178-66.8-27.7000111.2V134 L138 A139 D140V134-N136 VanDerWaalsContact C-N 3.33Å; V134-N136 PolarHBondContact O-N 3.39Å; N136-L138 VanDerWaalsContact C-N 3.31Å; N136-L138 PolarHBondContact O-N 2.88Å; N136-A139 WeakPolarHBondContact O-CB 3.27Å; N136-A139 PolarHBondContact O-N 3.14Å; N136-A139 VanDerWaalsContact O-N 3.16Å; N136-D140 PolarHBondContact O-N 2.72Å
137I92.2Very high88.4Confident28 Ų2856.3 Ų56.314%0.14434%0.339CS..Hα-helixtrans-61.2-41.7176.8-61.9175.8000110.7V134 D140 A141 Y156 F157V134-I137 HydrophobicContact CG2-CB 4.18Å; V134-I137 HydrophobicContact CG2-CG2 4.41Å; V134-I137 WeakPolarHBondContact O-CB 3.42Å; V134-I137 PolarHBondContact O-N 2.75Å; V134-I137 VanDerWaalsContact O-N 3.12Å; I137-D140 PolarHBondContact O-N 3.19Å; I137-A141 PolarHBondContact O-N 3.15Å; I137-Y156 WeakPolarHBondContact CD1-OH 3.4Å; I137-Y156 HydrophobicContact CG1-CE1 4.38Å; I137-Y156 HydrophobicContact CG2-CD1 4.49Å; I137-Y156 HydrophobicContact CG2-CE1 3.84Å; I137-F157 HydrophobicContact CG2-CD1 3.66Å; I137-F157 HydrophobicContact CG2-CE1 4.1Å; I137-F157 WeakPolarHBondContact O-CE1 3.3Å
138L92.7Very high87.2Confident13 Ų1355.7 Ų55.77%0.06834%0.343CS..Hα-helixtrans-67.1-41.3175.3-71.3176.4000111.5F6 C9 T10 F14 V134 I135 N136 D140 A141F6-L138 HydrophobicContact CD2-CB 3.93Å; F6-L138 VanDerWaalsContact CD2-O 3.31Å; F6-L138 WeakPolarHBondContact CD2-O 3.4Å; F6-L138 HydrophobicContact CE2-CB 3.81Å; C9-L138 HydrophobicContact CB-CD2 3.6Å; T10-L138 WeakPolarHBondContact OG1-CD1 3.34Å; F14-L138 HydrophobicContact CE2-CD1 4.43Å; V134-L138 HydrophobicContact CG1-CD1 3.79Å; V134-L138 HydrophobicContact CG1-CG 4.19Å; V134-L138 HydrophobicContact CG2-CG 4.19Å; V134-L138 WeakPolarHBondContact O-CG 3.41Å; V134-L138 PolarHBondContact O-N 3.06Å; I135-L138 PolarHBondContact O-N 3.41Å; N136-L138 VanDerWaalsContact C-N 3.31Å; N136-L138 PolarHBondContact O-N 2.88Å; L138-D140 VanDerWaalsContact C-N 3.3Å; L138-D140 PolarHBondContact O-N 3.48Å; L138-A141 WeakPolarHBondContact O-CB 3.48Å; L138-A141 PolarHBondContact O-N 2.96Å; L138-A141 VanDerWaalsContact O-N 3.11Å
139A92Very high85.8Confident53 Ų5359.5 Ų59.544%0.43836%0.363SS..Hα-helixtrans-57.7-44.3176.100000111.5I135 N136 A141 L142I135-A139 PolarHBondContact O-N 3.45Å; N136-A139 WeakPolarHBondContact O-CB 3.27Å; N136-A139 PolarHBondContact O-N 3.14Å; N136-A139 VanDerWaalsContact O-N 3.16Å; A139-A141 PolarHBondContact O-N 3.39Å; A139-L142 WeakPolarHBondContact O-CB 3.39Å; A139-L142 PolarHBondContact O-N 2.96Å; A139-L142 VanDerWaalsContact O-N 3.12Å
140D89.5Confident84.7Confident94 Ų9466.8 Ų66.850%0.50340%0.396SS..Hα-helixtrans-63.1-29.8177.4-67.3-23.8000112.8N136 I137 L138 L142 G143 F157N136-D140 PolarHBondContact O-N 2.72Å; I137-D140 PolarHBondContact O-N 3.19Å; L138-D140 VanDerWaalsContact C-N 3.3Å; L138-D140 PolarHBondContact O-N 3.48Å; D140-L142 PolarHBondContact O-N 3.07Å; D140-G143 PolarHBondContact O-N 3.41Å; D140-F157 HydrophobicContact CB-CE1 4.32Å
141A88.2Confident83.6Confident3 Ų370.2 Ų70.23%0.02543%0.431CS..Hα-helixtrans-67.7-21.517700000113.5G2 V5 I137 L138 A139 G143 F157G2-A141 CarbonylContact C-O 3.43Å; G2-A141 WeakPolarHBondContact CA-O 3.4Å; V5-A141 HydrophobicContact CG1-CB 4.17Å; I137-A141 PolarHBondContact O-N 3.15Å; L138-A141 WeakPolarHBondContact O-CB 3.48Å; L138-A141 PolarHBondContact O-N 2.96Å; L138-A141 VanDerWaalsContact O-N 3.11Å; A139-A141 PolarHBondContact O-N 3.39Å; A141-G143 VanDerWaalsContact C-N 3.33Å; A141-F157 HydrophobicContact CB-CD1 3.86Å; A141-F157 HydrophobicContact CB-CD2 4.3Å; A141-F157 HydrophobicContact CB-CE1 3.7Å; A141-F157 HydrophobicContact CB-CE2 4.11Å; A141-F157 HydrophobicContact CB-CG 4.18Å; A141-F157 HydrophobicContact CB-CZ 3.83Å
142L87.9Confident82.6Confident95 Ų9572.9 Ų72.950%0.49744%0.443SS..Hα-helixtrans-76.2-21.1175.4-71.5171.3000112.7F6 A139 D140F6-L142 HydrophobicContact CB-CD2 3.55Å; F6-L142 HydrophobicContact CB-CG 3.97Å; F6-L142 HydrophobicContact CD1-CD2 4.19Å; F6-L142 HydrophobicContact CD2-CD1 3.74Å; F6-L142 HydrophobicContact CD2-CD2 3.99Å; F6-L142 HydrophobicContact CD2-CG 3.6Å; F6-L142 HydrophobicContact CE2-CD1 3.83Å; F6-L142 HydrophobicContact CE2-CG 4.23Å; F6-L142 HydrophobicContact CG-CD1 4.17Å; F6-L142 HydrophobicContact CG-CD2 3.64Å; F6-L142 HydrophobicContact CG-CG 3.82Å; F6-L142 HydrophobicContact CZ-CD1 4.37Å; A139-L142 WeakPolarHBondContact O-CB 3.39Å; A139-L142 PolarHBondContact O-N 2.96Å; A139-L142 VanDerWaalsContact O-N 3.12Å; D140-L142 PolarHBondContact O-N 3.07Å
143G77.2Confident81.9Confident41 Ų4168.6 Ų68.642%0.42343%0.429SS..THydrogen-bonded Turntrans141.6166.5168.500000114.5D140 A141D140-G143 PolarHBondContact O-N 3.41Å; A141-G143 VanDerWaalsContact C-N 3.33Å
144P63.2Low81.3Confident136 Ų13669.6 Ų69.688%0.88343%0.434SS*.THydrogen-bonded Turncis-80.824.3-11.335.2-34.6000113V146P144-V146 PolarHBondContact O-N 2.88Å
145G65.9Low81Confident41 Ų4176.3 Ų76.342%0.42346%0.461SS..  trans-59.2100.1-17800000113.8
146V68.8Low80.8Confident99 Ų9976.3 Ų76.360%0.646%0.455SS*.  trans-95.9105161.8-175.50000106.7P144 I149P144-V146 PolarHBondContact O-N 2.88Å; V146-I149 HydrophobicContact CB-CG2 3.66Å; V146-I149 HydrophobicContact CG1-CG2 3.4Å; V146-I149 VanDerWaalsContact CG1-CG2 3.4Å
147V72.9Confident80.7Confident49 Ų4971.5 Ų71.530%0.29743%0.429SS..THydrogen-bonded Turntrans-66.9139.6176.9-76.20000110.9Y156 F157V147-Y156 HydrophobicContact CG1-CD1 4.33Å; V147-F157 HydrophobicContact CB-CD2 4.48Å; V147-F157 HydrophobicContact CB-CE2 4.23Å; V147-F157 HydrophobicContact CG1-CD2 3.65Å; V147-F157 HydrophobicContact CG1-CE1 4.49Å; V147-F157 HydrophobicContact CG1-CE2 3.23Å; V147-F157 HydrophobicContact CG1-CG 4.46Å; V147-F157 HydrophobicContact CG1-CZ 3.71Å; V147-F157 HydrophobicContact CG2-CD2 3.97Å; V147-F157 HydrophobicContact CG2-CE2 4.01Å
148G72.8Confident80.7Confident28 Ų2873.8 Ų73.829%0.28944%0.441SS..THydrogen-bonded Turntrans84.54.8174.900000116.9H150 G151 D152G148-H150 PolarHBondContact O-N 3.35Å; G148-G151 PolarHBondContact O-N 2.86Å; G148-D152 WeakPolarHBondContact CA-O 3.26Å
149I69.5Low80.8Confident112 Ų11273.8 Ų73.857%0.57444%0.441SS*.THydrogen-bonded Turntrans-63.3-27.5174.459.1174.8000113.4V146V146-I149 HydrophobicContact CB-CG2 3.66Å; V146-I149 HydrophobicContact CG1-CG2 3.4Å; V146-I149 VanDerWaalsContact CG1-CG2 3.4Å
150H75.1Confident81Confident159 Ų15971.9 Ų71.974%0.73643%0.425SS*.THydrogen-bonded Turntrans-100.217178.6-57.5116.3000112.9G148 D152G148-H150 PolarHBondContact O-N 3.35Å; H150-D152 VanDerWaalsContact C-N 3.34Å
151G74.6Confident81.3Confident72 Ų7267.4 Ų67.474%0.74240%0.401SS*.SBendtrans86.13.3-175.200000114.5G148G148-G151 PolarHBondContact O-N 2.86Å
152D78Confident81.8Confident108 Ų10871 Ų7158%0.57842%0.416SS*.  trans-65.6161.3171.7-61.6-47.7000111.8G148 H150G148-D152 WeakPolarHBondContact CA-O 3.26Å; H150-D152 VanDerWaalsContact C-N 3.34Å
153S80.9Confident82.2Confident37 Ų3767.6 Ų67.626%0.25940%0.398SS..  trans-66.9134.1178.6-177.60000111.8Y155 Y210S153-Y155 PolarHBondContact O-N 2.79Å; S153-Y155 VanDerWaalsContact O-N 3.16Å; S153-Y155 WeakPolarHBondContact OG-CD2 3.37Å; S153-Y155 PolarHBondContact OG-N 3.43Å; S153-Y210 WeakPolarHBondContact OG-CE2 3.32Å
154P82.8Confident83.3Confident81 Ų8166 Ų6653%0.52638%0.38SS..THydrogen-bonded Turntrans-68.3-11.7175.430.1-36.2000112.9
155Y88Confident84.9Confident142 Ų14259.8 Ų59.856%0.55734%0.341SS*.THydrogen-bonded Turntrans-90.42.2-174.4-54.8-63.1000114.3S153 F157 L158 T159S153-Y155 PolarHBondContact O-N 2.79Å; S153-Y155 VanDerWaalsContact O-N 3.16Å; S153-Y155 WeakPolarHBondContact OG-CD2 3.37Å; S153-Y155 PolarHBondContact OG-N 3.43Å; Y155-F157 PolarHBondContact O-N 3.34Å; Y155-L158 PolarHBondContact O-N 2.96Å; Y155-L158 VanDerWaalsContact O-N 3.1Å; Y155-T159 PolarHBondContact O-N 3.48Å; Y155-T159 PolarHBondContact O-OG1 3.17Å
156Y90.6Very high86.5Confident93 Ų9357.9 Ų57.937%0.36532%0.321SS..Hα-helixtrans-50.4-50.6-173.7175.6-108.9000113.7I137 V147 S160I137-Y156 WeakPolarHBondContact CD1-OH 3.4Å; I137-Y156 HydrophobicContact CG1-CE1 4.38Å; I137-Y156 HydrophobicContact CG2-CD1 4.49Å; I137-Y156 HydrophobicContact CG2-CE1 3.84Å; V147-Y156 HydrophobicContact CG1-CD1 4.33Å; Y156-S160 VanDerWaalsContact O-CB 3.27Å; Y156-S160 WeakPolarHBondContact O-CB 3.45Å; Y156-S160 PolarHBondContact O-N 2.92Å; Y156-S160 PolarHBondContact O-OG 2.94Å
157F92.4Very high87.9Confident18 Ų1854.4 Ų54.48%0.07930%0.299CS..Hα-helixtrans-63.5-44.6179.1-64.9-55.2000112.4V5 I137 D140 A141 V147 Y155 S160 A161V5-F157 HydrophobicContact CG1-CB 4.01Å; V5-F157 HydrophobicContact CG1-CD2 3.94Å; V5-F157 HydrophobicContact CG1-CG 4.16Å; I137-F157 HydrophobicContact CG2-CD1 3.66Å; I137-F157 HydrophobicContact CG2-CE1 4.1Å; I137-F157 WeakPolarHBondContact O-CE1 3.3Å; D140-F157 HydrophobicContact CB-CE1 4.32Å; A141-F157 HydrophobicContact CB-CD1 3.86Å; A141-F157 HydrophobicContact CB-CD2 4.3Å; A141-F157 HydrophobicContact CB-CE1 3.7Å; A141-F157 HydrophobicContact CB-CE2 4.11Å; A141-F157 HydrophobicContact CB-CG 4.18Å; A141-F157 HydrophobicContact CB-CZ 3.83Å; V147-F157 HydrophobicContact CB-CD2 4.48Å; V147-F157 HydrophobicContact CB-CE2 4.23Å; V147-F157 HydrophobicContact CG1-CD2 3.65Å; V147-F157 HydrophobicContact CG1-CE1 4.49Å; V147-F157 HydrophobicContact CG1-CE2 3.23Å; V147-F157 HydrophobicContact CG1-CG 4.46Å; V147-F157 HydrophobicContact CG1-CZ 3.71Å; V147-F157 HydrophobicContact CG2-CD2 3.97Å; V147-F157 HydrophobicContact CG2-CE2 4.01Å; Y155-F157 PolarHBondContact O-N 3.34Å; F157-S160 PolarHBondContact O-N 3.48Å; F157-A161 PolarHBondContact O-N 3.05Å
158L92.4Very high89.1Confident75 Ų7552.2 Ų52.239%0.39329%0.285SS..Hα-helixtrans-68.1-45.8-177.3-175.262.6000111.6Y155 S160 A161 F162Y155-L158 PolarHBondContact O-N 2.96Å; Y155-L158 VanDerWaalsContact O-N 3.1Å; L158-S160 VanDerWaalsContact C-N 3.32Å; L158-S160 PolarHBondContact O-N 3.29Å; L158-A161 WeakPolarHBondContact O-CB 3.49Å; L158-A161 PolarHBondContact O-N 2.89Å; L158-F162 HydrophobicContact CD1-CD2 4.05Å; L158-F162 HydrophobicContact CD1-CE2 3.63Å; L158-F162 HydrophobicContact CD2-CE2 4.34Å; L158-F162 HydrophobicContact CG-CD2 3.98Å; L158-F162 HydrophobicContact CG-CE2 3.8Å; L158-F162 WeakPolarHBondContact O-CD2 3.15Å; L158-F162 PolarHBondContact O-N 3.38Å
159T94.1Very high90.4Very high13 Ų1352.6 Ų52.68%0.0828%0.28CS..Hα-helixtrans-65.1-38.1177.1-59.30000111.3Y155 A161 F162 L163 Y210 L214Y155-T159 PolarHBondContact O-N 3.48Å; Y155-T159 PolarHBondContact O-OG1 3.17Å; T159-A161 VanDerWaalsContact C-N 3.29Å; T159-A161 PolarHBondContact O-N 2.72Å; T159-F162 PolarHBondContact O-N 3.27Å; T159-L163 VanDerWaalsContact O-CB 3.27Å; T159-L163 WeakPolarHBondContact O-CB 3.27Å; T159-L163 PolarHBondContact O-N 2.98Å; T159-Y210 HydrophobicContact CG2-CD1 3.37Å; T159-Y210 HydrophobicContact CG2-CE1 3.89Å; T159-Y210 HydrophobicContact CG2-CG 3.76Å; T159-L214 HydrophobicContact CG2-CD1 4.24Å; T159-L214 HydrophobicContact CG2-CD2 4.23Å
160S95.4Very high91.8Very high13 Ų1347.3 Ų47.39%0.09125%0.253CS..Hα-helixtrans-62.4-37.8174.4-60.30000111.9Y156 F157 L158 T164Y156-S160 VanDerWaalsContact O-CB 3.27Å; Y156-S160 WeakPolarHBondContact O-CB 3.45Å; Y156-S160 PolarHBondContact O-N 2.92Å; Y156-S160 PolarHBondContact O-OG 2.94Å; F157-S160 PolarHBondContact O-N 3.48Å; L158-S160 VanDerWaalsContact C-N 3.32Å; L158-S160 PolarHBondContact O-N 3.29Å; S160-T164 VanDerWaalsContact O-CB 3.3Å; S160-T164 WeakPolarHBondContact O-CB 3.42Å; S160-T164 PolarHBondContact O-N 2.83Å; S160-T164 PolarHBondContact O-OG1 2.87Å
161A97.3Very high92.9Very high0 Ų039.9 Ų39.90%022%0.219CC..Hα-helixtrans-65.5-47.2175.500000112.5C9 V12 A13 F157 L158 T159 T164 A165C9-A161 HydrophobicContact CB-CB 3.84Å; C9-A161 WeakPolarHBondContact O-CB 3.33Å; V12-A161 HydrophobicContact CB-CB 4.09Å; V12-A161 HydrophobicContact CG1-CB 3.92Å; A13-A161 WeakPolarHBondContact CA-O 3.29Å; A13-A161 HydrophobicContact CB-CB 4.33Å; F157-A161 PolarHBondContact O-N 3.05Å; L158-A161 WeakPolarHBondContact O-CB 3.49Å; L158-A161 PolarHBondContact O-N 2.89Å; T159-A161 VanDerWaalsContact C-N 3.29Å; T159-A161 PolarHBondContact O-N 2.72Å; A161-T164 PolarHBondContact O-N 2.88Å; A161-A165 PolarHBondContact O-N 3.46Å
162F97.7Very high94Very high78 Ų7836.6 Ų36.634%0.34218%0.184SC..Hα-helixtrans-64.5-41.5175.9-80.7-67000112.3V12 L158 T159 T164 A165 A166 L214 Y218V12-F162 HydrophobicContact CG1-CD1 3.69Å; V12-F162 HydrophobicContact CG1-CD2 4.22Å; V12-F162 HydrophobicContact CG1-CE1 3.78Å; V12-F162 HydrophobicContact CG1-CE2 4.29Å; V12-F162 HydrophobicContact CG1-CG 3.93Å; V12-F162 HydrophobicContact CG1-CZ 4.08Å; L158-F162 HydrophobicContact CD1-CD2 4.05Å; L158-F162 HydrophobicContact CD1-CE2 3.63Å; L158-F162 HydrophobicContact CD2-CE2 4.34Å; L158-F162 HydrophobicContact CG-CD2 3.98Å; L158-F162 HydrophobicContact CG-CE2 3.8Å; L158-F162 WeakPolarHBondContact O-CD2 3.15Å; L158-F162 PolarHBondContact O-N 3.38Å; T159-F162 PolarHBondContact O-N 3.27Å; F162-T164 VanDerWaalsContact C-N 3.3Å; F162-T164 PolarHBondContact O-N 2.92Å; F162-A165 PolarHBondContact O-N 2.96Å; F162-A166 PolarHBondContact O-N 3.39Å; F162-L214 HydrophobicContact CB-CD1 4.07Å; F162-L214 HydrophobicContact CB-CD2 4.35Å; F162-Y218 HydrophobicContact CB-CE2 4.06Å; F162-Y218 WeakPolarHBondContact CD1-OH 3.27Å; F162-Y218 PolarHBondContact O-OH 3.44Å
163L97.5Very high95Very high25 Ų2533.6 Ų33.613%0.13117%0.166CC..Hα-helixtrans-58.6-46174179.259.8000110.7T159 A165 A166 I167 T204 L214 I217T159-L163 VanDerWaalsContact O-CB 3.27Å; T159-L163 WeakPolarHBondContact O-CB 3.27Å; T159-L163 PolarHBondContact O-N 2.98Å; L163-A165 PolarHBondContact O-N 3.4Å; L163-A166 PolarHBondContact O-N 2.78Å; L163-I167 HydrophobicContact CD1-CG1 4.3Å; L163-I167 WeakPolarHBondContact O-CG1 3.19Å; L163-I167 PolarHBondContact O-N 3.07Å; L163-T204 HydrophobicContact CD1-CG2 4.06Å; L163-T204 HydrophobicContact CD2-CG2 4Å; L163-L214 HydrophobicContact CB-CD1 4.38Å; L163-I217 HydrophobicContact CD1-CD1 3.49Å; L163-I217 VanDerWaalsContact CD1-CD1 3.49Å; L163-I217 HydrophobicContact CD1-CG2 4.19Å
164T98.4Very high95.9Very high6 Ų631.8 Ų31.84%0.03715%0.154CC..Hα-helixtrans-60.4-45.5177.5-60.10000111.7A13 F14 S133 V134 S160 A161 F162 A166 I167 I168A13-T164 HydrophobicContact CB-CG2 3.93Å; F14-T164 HydrophobicContact CZ-CG2 4.47Å; S133-T164 PolarHBondContact OG-OG1 3.27Å; V134-T164 HydrophobicContact CB-CG2 4.21Å; V134-T164 HydrophobicContact CG1-CG2 4.11Å; S160-T164 VanDerWaalsContact O-CB 3.3Å; S160-T164 WeakPolarHBondContact O-CB 3.42Å; S160-T164 PolarHBondContact O-N 2.83Å; S160-T164 PolarHBondContact O-OG1 2.87Å; A161-T164 PolarHBondContact O-N 2.88Å; F162-T164 VanDerWaalsContact C-N 3.3Å; F162-T164 PolarHBondContact O-N 2.92Å; T164-A166 VanDerWaalsContact C-N 3.33Å; T164-A166 PolarHBondContact O-N 3.4Å; T164-I167 PolarHBondContact O-N 3.39Å; T164-I168 HydrophobicContact CG2-CD1 3.81Å; T164-I168 HydrophobicContact CG2-CG1 4.42Å; T164-I168 WeakPolarHBondContact O-CD1 3.2Å; T164-I168 VanDerWaalsContact O-CG1 3.26Å; T164-I168 WeakPolarHBondContact O-CG1 3.26Å; T164-I168 PolarHBondContact O-N 3.4Å
165A98.6Very high96.6Very high7 Ų728 Ų286%0.05813%0.129CC..Hα-helixtrans-58.3-44.7175.300000112.1V12 A161 F162 L163 I168 L169V12-A165 WeakPolarHBondContact O-CB 3.37Å; A161-A165 PolarHBondContact O-N 3.46Å; F162-A165 PolarHBondContact O-N 2.96Å; L163-A165 PolarHBondContact O-N 3.4Å; A165-I168 PolarHBondContact O-N 3.42Å; A165-L169 WeakPolarHBondContact O-CG 3.31Å; A165-L169 PolarHBondContact O-N 3.27Å
166A98.6Very high97.1Very high0 Ų021.9 Ų21.90%011%0.106CC..Hα-helixtrans-62.2-44.7177.100000112F162 L163 T164 L169 L170 I217 Y218F162-A166 PolarHBondContact O-N 3.39Å; L163-A166 PolarHBondContact O-N 2.78Å; T164-A166 VanDerWaalsContact C-N 3.33Å; T164-A166 PolarHBondContact O-N 3.4Å; A166-L169 PolarHBondContact O-N 3.48Å; A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.38Å; A166-L170 WeakPolarHBondContact O-CG 3.23Å; A166-L170 PolarHBondContact O-N 2.98Å; A166-I217 HydrophobicContact CB-CG2 3.78Å; A166-Y218 HydrophobicContact CB-CD2 4.36Å; A166-Y218 HydrophobicContact CB-CE1 4.4Å; A166-Y218 HydrophobicContact CB-CE2 3.94Å
167I98.4Very high97.5Very high27 Ų2717.4 Ų17.414%0.1389%0.089CC..Hα-helixtrans-62.8-43.2177-65.6-59.3000111.8L163 T164 L169 L170 H171 T200L163-I167 HydrophobicContact CD1-CG1 4.3Å; L163-I167 WeakPolarHBondContact O-CG1 3.19Å; L163-I167 PolarHBondContact O-N 3.07Å; T164-I167 PolarHBondContact O-N 3.39Å; I167-L169 PolarHBondContact O-N 3.29Å; I167-L170 PolarHBondContact O-N 3.03Å; I167-H171 PolarHBondContact O-CD2 3.46Å; I167-H171 PolarHBondContact O-N 3.12Å; I167-T200 HydrophobicContact CD1-CG2 3.35Å
168I98.8Very high97.8Very high2 Ų217 Ų171%0.019%0.087CC..Hα-helixtrans-60.4-47.2177.4-65.6158.1000110.7A13 F14 A17 G126 I127 T164 A165 H171 T172A13-I168 VanDerWaalsContact O-CD1 3.27Å; A13-I168 WeakPolarHBondContact O-CD1 3.36Å; F14-I168 HydrophobicContact CD1-CD1 3.86Å; F14-I168 HydrophobicContact CE1-CD1 3.9Å; A17-I168 HydrophobicContact CB-CG2 3.58Å; G126-I168 VanDerWaalsContact O-CG1 3.23Å; G126-I168 WeakPolarHBondContact O-CG1 3.3Å; I127-I168 HydrophobicContact CG1-CG2 4.43Å; T164-I168 HydrophobicContact CG2-CD1 3.81Å; T164-I168 HydrophobicContact CG2-CG1 4.42Å; T164-I168 WeakPolarHBondContact O-CD1 3.2Å; T164-I168 VanDerWaalsContact O-CG1 3.26Å; T164-I168 WeakPolarHBondContact O-CG1 3.26Å; T164-I168 PolarHBondContact O-N 3.4Å; A165-I168 PolarHBondContact O-N 3.42Å; I168-H171 PolarHBondContact O-N 2.91Å; I168-T172 PolarHBondContact O-N 3.25Å; I168-T172 VanDerWaalsContact O-N 3.12Å; I168-T172 PolarHBondContact O-OG1 2.88Å
169L98.7Very high98Very high37 Ų3713.5 Ų13.519%0.1947%0.069CC..Hα-helixtrans-65.6-43.2178-70.9174.8000111.6P16 A165 A166 I167 H171 T172 F173 T221P16-L169 HydrophobicContact CB-CD2 4.48Å; A165-L169 WeakPolarHBondContact O-CG 3.31Å; A165-L169 PolarHBondContact O-N 3.27Å; A166-L169 PolarHBondContact O-N 3.48Å; I167-L169 PolarHBondContact O-N 3.29Å; L169-H171 PolarHBondContact O-N 3.12Å; L169-T172 WeakPolarHBondContact O-CA 3.35Å; L169-T172 VanDerWaalsContact O-CB 3.27Å; L169-T172 WeakPolarHBondContact O-CB 3.44Å; L169-T172 PolarHBondContact O-N 3.23Å; L169-T172 VanDerWaalsContact O-N 3.08Å; L169-F173 HydrophobicContact CB-CD2 4.44Å; L169-F173 HydrophobicContact CB-CE2 3.83Å; L169-F173 HydrophobicContact CB-CZ 4.1Å; L169-F173 HydrophobicContact CD2-CZ 4.23Å; L169-F173 WeakPolarHBondContact O-CD2 3.34Å; L169-F173 WeakPolarHBondContact O-CG 3.16Å; L169-F173 PolarHBondContact O-N 2.93Å; L169-T221 HydrophobicContact CB-CG2 4.09Å
170L98.8Very high98.2Very high0 Ų014 Ų140%07%0.071CC..Hα-helixtrans-59.4-45.6176.3-84.7169.7000111.9A166 I167 T172 F173 W174 T200 I217 V220 T221 M224A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.38Å; A166-L170 WeakPolarHBondContact O-CG 3.23Å; A166-L170 PolarHBondContact O-N 2.98Å; I167-L170 PolarHBondContact O-N 3.03Å; L170-T172 VanDerWaalsContact C-N 3.26Å; L170-T172 PolarHBondContact O-N 2.95Å; L170-F173 PolarHBondContact O-N 3.24Å; L170-F173 VanDerWaalsContact O-N 3.17Å; L170-W174 HydrophobicContact CB-CD2 4.18Å; L170-W174 HydrophobicContact CB-CE3 4.1Å; L170-W174 HydrophobicContact CB-CH2 3.76Å; L170-W174 HydrophobicContact CB-CZ2 3.88Å; L170-W174 HydrophobicContact CB-CZ3 3.89Å; L170-W174 HydrophobicContact CD1-CH2 4.07Å; L170-W174 HydrophobicContact CD1-CZ2 4.04Å; L170-W174 HydrophobicContact CD2-CZ2 3.9Å; L170-W174 HydrophobicContact CG-CH2 4.36Å; L170-W174 HydrophobicContact CG-CZ2 4.17Å; L170-W174 VanDerWaalsContact O-CB 3.24Å; L170-W174 WeakPolarHBondContact O-CB 3.5Å; L170-W174 VanDerWaalsContact O-CD2 3.29Å; L170-W174 PolarHBondContact O-N 2.85Å; L170-T200 HydrophobicContact CD1-CG2 3.79Å; L170-I217 HydrophobicContact CD1-CG2 4.35Å; L170-V220 HydrophobicContact CD2-CG1 4.01Å; L170-T221 WeakPolarHBondContact CD1-OG1 3.27Å; L170-T221 HydrophobicContact CG-CG2 4.28Å; L170-T221 WeakPolarHBondContact CG-OG1 3.42Å; L170-M224 HydrophobicContact CD2-CB 3.93Å; L170-M224 HydrophobicContact CD2-CG 4.21Å
171H98.8Very high98.3Very high3 Ų313.4 Ų13.41%0.0147%0.066CC..Hα-helixtrans-59.8-37.4173.5-84.3-56.6000113.1R87 G122 F125 G126 S129 I167 I168 L169 W174 G175 H197R87-H171 PolarHBondContact NH2-ND1 3.27Å; G122-H171 VanDerWaalsContact CA-O 3.24Å; G122-H171 WeakPolarHBondContact CA-O 3.44Å; G122-H171 CarbonylContact O-C 3.56Å; F125-H171 HydrophobicContact CB-CB 4.28Å; G126-H171 VanDerWaalsContact CA-CB 3.42Å; S129-H171 PolarHBondContact OG-CD2 2.88Å; S129-H171 PolarHBondContact OG-NE2 3Å; I167-H171 PolarHBondContact O-CD2 3.46Å; I167-H171 PolarHBondContact O-N 3.12Å; I168-H171 PolarHBondContact O-N 2.91Å; L169-H171 PolarHBondContact O-N 3.12Å; H171-W174 AromaticContact CE1-CZ3 3.98Å; H171-W174 AromaticContact ND1-CE3 3.62Å; H171-W174 AromaticContact ND1-CZ3 3.87Å; H171-G175 PolarHBondContact O-N 3.43Å; H171-H197 AromaticContact CE1-CE1 3.58Å; H171-H197 AromaticContact CE1-NE2 3.68Å
172T98.7Very high98.3Very high3 Ų314.2 Ų14.22%0.0187%0.072CC..Hα-helixtrans-61.7-48.9174.3-52.40000110.8Y119 G122 L123 I168 L169 L170 G175 V176Y119-T172 HydrophobicContact CD2-CG2 3.82Å; Y119-T172 HydrophobicContact CE2-CG2 3.81Å; G122-T172 PolarHBondContact O-N 3.12Å; L123-T172 WeakPolarHBondContact CA-OG1 3.34Å; L123-T172 HydrophobicContact CB-CG2 4.32Å; I168-T172 PolarHBondContact O-N 3.25Å; I168-T172 VanDerWaalsContact O-N 3.12Å; I168-T172 PolarHBondContact O-OG1 2.88Å; L169-T172 WeakPolarHBondContact O-CA 3.35Å; L169-T172 VanDerWaalsContact O-CB 3.27Å; L169-T172 WeakPolarHBondContact O-CB 3.44Å; L169-T172 PolarHBondContact O-N 3.23Å; L169-T172 VanDerWaalsContact O-N 3.08Å; L170-T172 VanDerWaalsContact C-N 3.26Å; L170-T172 PolarHBondContact O-N 2.95Å; T172-G175 PolarHBondContact O-N 3.35Å; T172-V176 PolarHBondContact O-N 3.23Å
173F98.7Very high98.2Very high45 Ų4514.1 Ų14.120%0.1977%0.073CC..Hα-helixtrans-70.7-42.5-178.3-54.9-33.3000112.7L169 L170 G175 V176 V177 T221 M224 G225 A228L169-F173 HydrophobicContact CB-CD2 4.44Å; L169-F173 HydrophobicContact CB-CE2 3.83Å; L169-F173 HydrophobicContact CB-CZ 4.1Å; L169-F173 HydrophobicContact CD2-CZ 4.23Å; L169-F173 WeakPolarHBondContact O-CD2 3.34Å; L169-F173 WeakPolarHBondContact O-CG 3.16Å; L169-F173 PolarHBondContact O-N 2.93Å; L170-F173 PolarHBondContact O-N 3.24Å; L170-F173 VanDerWaalsContact O-N 3.17Å; F173-G175 VanDerWaalsContact C-N 3.29Å; F173-G175 PolarHBondContact O-N 2.89Å; F173-V176 PolarHBondContact O-N 3.01Å; F173-V177 PolarHBondContact O-N 3.33Å; F173-T221 HydrophobicContact CD2-CG2 4.49Å; F173-T221 HydrophobicContact CE2-CG2 3.98Å; F173-M224 HydrophobicContact CB-CB 4.38Å; F173-M224 HydrophobicContact CB-CG 3.62Å; F173-G225 VanDerWaalsContact CD2-CA 3.41Å; F173-A228 HydrophobicContact CB-CB 3.8Å; F173-A228 HydrophobicContact CD1-CB 3.96Å; F173-A228 HydrophobicContact CG-CB 4.16Å
174W98.7Very high98.2Very high0 Ų020.1 Ų20.10%09%0.094CC..Hα-helixtrans-55.9-45.1170.6-71.1-32.3000110.6L170 H171 V176 V177 F178 V193 S196 H197 T200L170-W174 HydrophobicContact CB-CD2 4.18Å; L170-W174 HydrophobicContact CB-CE3 4.1Å; L170-W174 HydrophobicContact CB-CH2 3.76Å; L170-W174 HydrophobicContact CB-CZ2 3.88Å; L170-W174 HydrophobicContact CB-CZ3 3.89Å; L170-W174 HydrophobicContact CD1-CH2 4.07Å; L170-W174 HydrophobicContact CD1-CZ2 4.04Å; L170-W174 HydrophobicContact CD2-CZ2 3.9Å; L170-W174 HydrophobicContact CG-CH2 4.36Å; L170-W174 HydrophobicContact CG-CZ2 4.17Å; L170-W174 VanDerWaalsContact O-CB 3.24Å; L170-W174 WeakPolarHBondContact O-CB 3.5Å; L170-W174 VanDerWaalsContact O-CD2 3.29Å; L170-W174 PolarHBondContact O-N 2.85Å; H171-W174 AromaticContact CE1-CZ3 3.98Å; H171-W174 AromaticContact ND1-CE3 3.62Å; H171-W174 AromaticContact ND1-CZ3 3.87Å; W174-V176 PolarHBondContact O-N 3.35Å; W174-V177 PolarHBondContact O-N 2.89Å; W174-F178 WeakPolarHBondContact O-CA 3.43Å; W174-F178 WeakPolarHBondContact O-CB 3.37Å; W174-F178 PolarHBondContact O-N 3.49Å; W174-V193 HydrophobicContact CB-CG1 3.75Å; W174-V193 HydrophobicContact CG-CG1 3.83Å; W174-S196 PolarHBondContact NE1-OG 2.94Å; W174-H197 HydrophobicContact CD2-CB 4.37Å; W174-H197 HydrophobicContact CE3-CB 4.24Å; W174-H197 HydrophobicContact CH2-CB 3.76Å; W174-H197 AromaticContact CH2-CD2 3.44Å; W174-H197 VanDerWaalsContact CH2-CD2 3.44Å; W174-H197 WeakPolarHBondContact CH2-CD2 3.39Å; W174-H197 AromaticContact CH2-CG 3.71Å; W174-H197 VanDerWaalsContact CZ2-CA 3.42Å; W174-H197 HydrophobicContact CZ2-CB 3.83Å; W174-H197 HydrophobicContact CZ3-CB 3.96Å; W174-H197 AromaticContact CZ3-CD2 3.34Å; W174-H197 WeakPolarHBondContact CZ3-CD2 3.41Å; W174-H197 AromaticContact CZ3-CG 3.54Å; W174-H197 AromaticContact CZ3-NE2 3.84Å; W174-T200 HydrophobicContact CH2-CG2 4.3Å
175G98.5Very high98Very high0 Ų029 Ų290%013%0.126CC..Hα-helixtrans-55.8-46.917600000113H171 T172 F173 F179H171-G175 PolarHBondContact O-N 3.43Å; T172-G175 PolarHBondContact O-N 3.35Å; F173-G175 VanDerWaalsContact C-N 3.29Å; F173-G175 PolarHBondContact O-N 2.89Å; G175-F179 WeakPolarHBondContact O-CD2 3.34Å; G175-F179 PolarHBondContact O-N 3.47Å; G175-F179 VanDerWaalsContact O-N 3.1Å
176V98.4Very high97.9Very high14 Ų1432 Ų329%0.08514%0.136CC..Hα-helixtrans-61.8-51.3177.4174.30000111.8T172 F173 W174 F178 D180 A228 T231T172-V176 PolarHBondContact O-N 3.23Å; F173-V176 PolarHBondContact O-N 3.01Å; W174-V176 PolarHBondContact O-N 3.35Å; V176-F178 VanDerWaalsContact C-N 3.35Å; V176-F178 PolarHBondContact O-N 3.42Å; V176-D180 WeakPolarHBondContact O-CB 3.21Å; V176-D180 PolarHBondContact O-N 3.05Å; V176-A228 HydrophobicContact CB-CB 4.14Å; V176-A228 HydrophobicContact CG1-CB 4.14Å; V176-T231 HydrophobicContact CG1-CG2 4.39Å
177V98.4Very high97.7Very high0 Ų039.9 Ų39.90%017%0.167CC..Hα-helixtrans-67.5-37.1-178.3176.20000111.3F173 W174 D180 A181 V193 M224 W227 A228F173-V177 PolarHBondContact O-N 3.33Å; W174-V177 PolarHBondContact O-N 2.89Å; V177-D180 PolarHBondContact O-N 3.38Å; V177-A181 VanDerWaalsContact O-CB 3.26Å; V177-A181 WeakPolarHBondContact O-CB 3.5Å; V177-A181 PolarHBondContact O-N 2.94Å; V177-V193 HydrophobicContact CB-CG2 4.14Å; V177-V193 HydrophobicContact CG1-CG2 3.83Å; V177-M224 HydrophobicContact CB-SD 4.34Å; V177-M224 HydrophobicContact CG2-SD 3.87Å; V177-W227 HydrophobicContact CG1-CD2 4.22Å; V177-W227 HydrophobicContact CG1-CH2 4.21Å; V177-W227 HydrophobicContact CG1-CZ2 3.89Å; V177-W227 HydrophobicContact CG2-CD2 4.29Å; V177-W227 HydrophobicContact CG2-CG 4.16Å; V177-A228 HydrophobicContact CG2-CB 4.18Å
178F98.5Very high97.6Very high8 Ų845.7 Ų45.74%0.03519%0.188CC..Hα-helixtrans-64.3-52.2-179.2-173.8-77.3000111.7R87 F88 W174 V176 D180 A181 C182 L190 V193R87-F178 HydrophobicContact CG-CD1 3.93Å; R87-F178 HydrophobicContact CG-CD2 4.43Å; R87-F178 HydrophobicContact CG-CE1 4.02Å; R87-F178 HydrophobicContact CG-CE2 4.49Å; R87-F178 HydrophobicContact CG-CG 4.17Å; R87-F178 HydrophobicContact CG-CZ 4.31Å; F88-F178 HydrophobicContact CB-CE1 4.23Å; F88-F178 HydrophobicContact CB-CZ 3.85Å; F88-F178 HydrophobicContact CD2-CE1 4.16Å; F88-F178 HydrophobicContact CD2-CZ 4.17Å; F88-F178 HydrophobicContact CG-CZ 4.5Å; W174-F178 WeakPolarHBondContact O-CA 3.43Å; W174-F178 WeakPolarHBondContact O-CB 3.37Å; W174-F178 PolarHBondContact O-N 3.49Å; V176-F178 VanDerWaalsContact C-N 3.35Å; V176-F178 PolarHBondContact O-N 3.42Å; F178-D180 VanDerWaalsContact C-N 3.27Å; F178-D180 PolarHBondContact O-N 2.94Å; F178-A181 PolarHBondContact O-N 2.9Å; F178-C182 VanDerWaalsContact CE1-SG 3.57Å; F178-C182 PolarHBondContact O-N 3.35Å; F178-C182 PolarHBondContact O-SG 3.44Å; F178-L190 HydrophobicContact CD1-CD2 4.16Å; F178-L190 HydrophobicContact CD2-CD2 3.62Å; F178-L190 HydrophobicContact CE1-CD2 4.23Å; F178-L190 HydrophobicContact CE2-CD2 3.72Å; F178-L190 HydrophobicContact CG-CD2 3.84Å; F178-L190 HydrophobicContact CZ-CD2 4Å; F178-V193 HydrophobicContact CB-CG1 4.49Å; F178-V193 HydrophobicContact CD2-CG1 4.04Å
179F97.7Very high97.6Very high3 Ų345.6 Ų45.61%0.01319%0.187CC..Hα-helixtrans-60.5-42.3179.1-84.6-128.4000110.8Y91 L94 I114 M117 A118 G175 A181 C182 E183Y91-F179 AromaticContact CD2-CD1 3.63Å; Y91-F179 HydrophobicContact CD2-CD1 3.63Å; Y91-F179 HydrophobicContact CD2-CD2 4.43Å; Y91-F179 AromaticContact CD2-CE1 3.85Å; Y91-F179 HydrophobicContact CD2-CE1 3.85Å; Y91-F179 AromaticContact CD2-CG 3.94Å; Y91-F179 HydrophobicContact CD2-CG 3.94Å; Y91-F179 HydrophobicContact CD2-CZ 4.35Å; Y91-F179 HydrophobicContact CE2-CD1 4.4Å; L94-F179 HydrophobicContact CD1-CE1 4.03Å; L94-F179 HydrophobicContact CD1-CZ 3.97Å; I114-F179 HydrophobicContact CD1-CD1 3.94Å; I114-F179 HydrophobicContact CD1-CE1 4.45Å; M117-F179 HydrophobicContact CB-CE1 4.29Å; A118-F179 VanDerWaalsContact CA-CD1 3.46Å; A118-F179 HydrophobicContact CB-CB 3.38Å; A118-F179 HydrophobicContact CB-CD1 3.5Å; A118-F179 VanDerWaalsContact CB-CD1 3.5Å; A118-F179 HydrophobicContact CB-CD2 4.04Å; A118-F179 HydrophobicContact CB-CE1 4.27Å; A118-F179 HydrophobicContact CB-CG 3.37Å; G175-F179 WeakPolarHBondContact O-CD2 3.34Å; G175-F179 PolarHBondContact O-N 3.47Å; G175-F179 VanDerWaalsContact O-N 3.1Å; F179-A181 VanDerWaalsContact C-N 3.34Å; F179-A181 PolarHBondContact O-N 2.88Å; F179-C182 WeakPolarHBondContact O-CB 3.36Å; F179-C182 PolarHBondContact O-N 3.47Å; F179-E183 WeakPolarHBondContact O-CG 3.29Å; F179-E183 PolarHBondContact O-N 2.92Å
180D97.5Very high97.5Very high23 Ų2345.1 Ų45.112%0.12319%0.185CC..Hα-helixtrans-63-41.3177.1-170.288.7000112.8V176 V177 F178 C182 E183 R184 R186 T231V176-D180 WeakPolarHBondContact O-CB 3.21Å; V176-D180 PolarHBondContact O-N 3.05Å; V177-D180 PolarHBondContact O-N 3.38Å; F178-D180 VanDerWaalsContact C-N 3.27Å; F178-D180 PolarHBondContact O-N 2.94Å; D180-C182 VanDerWaalsContact C-N 3.33Å; D180-C182 PolarHBondContact O-N 3.14Å; D180-E183 PolarHBondContact O-N 3.49Å; D180-R184 WeakPolarHBondContact O-CB 3.14Å; D180-R184 PolarHBondContact O-N 3.36Å; D180-R184 IonicContact OD1-CZ 3.89Å; D180-R184 VanDerWaalsContact OD1-CZ 3.22Å; D180-R184 IonicContact OD1-NH1 3.68Å; D180-R184 PolarHBondContact OD1-NH1 3.36Å; D180-R184 IonicContact OD1-NH2 2.71Å; D180-R184 IonicContact OD2-CZ 3.53Å; D180-R184 IonicContact OD2-NH1 2.68Å; D180-R184 PolarHBondContact OD2-NH1 3.38Å; D180-R186 IonicContact OD2-CZ 3.38Å; D180-R186 IonicContact OD2-NE 2.79Å; D180-R186 IonicContact OD2-NH2 3.26Å; D180-R186 PolarHBondContact OD2-NH2 3.49Å; D180-T231 HydrophobicContact CB-CG2 3.36Å; D180-T231 WeakPolarHBondContact OD1-CG2 3.47Å
181A97.8Very high97.4Very high0 Ų047.3 Ų47.30%021%0.207CC..Hα-helixtrans-64.6-37175.900000111.9V177 F178 F179 R185 R186 A189 L190V177-A181 VanDerWaalsContact O-CB 3.26Å; V177-A181 WeakPolarHBondContact O-CB 3.5Å; V177-A181 PolarHBondContact O-N 2.94Å; F178-A181 PolarHBondContact O-N 2.9Å; F179-A181 VanDerWaalsContact C-N 3.34Å; F179-A181 PolarHBondContact O-N 2.88Å; A181-R185 CarbonylContact O-C 3.48Å; A181-R185 VanDerWaalsContact O-CA 3.31Å; A181-R185 WeakPolarHBondContact O-CA 3.33Å; A181-R185 PolarHBondContact O-N 2.84Å; A181-R186 HydrophobicContact CB-CB 4.46Å; A181-R186 PolarHBondContact O-N 3.35Å; A181-A189 HydrophobicContact CB-CB 3.78Å; A181-L190 HydrophobicContact CB-CD2 3.71Å; A181-L190 HydrophobicContact CB-CG 3.74Å
182C97.4Very high97.4Very high17 Ų1751.3 Ų51.312%0.11523%0.228CC..Hα-helixtrans-64.1-49.5171.4-69.20000112Y91 F178 F179 D180 R184 R185Y91-C182 HydrophobicContact CD1-CB 4.08Å; Y91-C182 HydrophobicContact CD2-CB 4.49Å; Y91-C182 HydrophobicContact CE1-CB 3.56Å; Y91-C182 HydrophobicContact CE2-CB 4.02Å; F178-C182 VanDerWaalsContact CE1-SG 3.57Å; F178-C182 PolarHBondContact O-N 3.35Å; F178-C182 PolarHBondContact O-SG 3.44Å; F179-C182 WeakPolarHBondContact O-CB 3.36Å; F179-C182 PolarHBondContact O-N 3.47Å; D180-C182 VanDerWaalsContact C-N 3.33Å; D180-C182 PolarHBondContact O-N 3.14Å; C182-R184 VanDerWaalsContact C-N 3.34Å; C182-R184 PolarHBondContact O-N 3.3Å; C182-R185 PolarHBondContact O-N 2.8Å
183E96.1Very high97.4Very high77 Ų7751.2 Ų51.236%0.3623%0.227SC..Hα-helixtrans-61.7-41.1-179.4-73-62.4110.900112.1Y91 K95 I114 F179 D180Y91-E183 HydrophobicContact CE2-CG 4.39Å; Y91-E183 WeakPolarHBondContact CE2-OE1 3.47Å; Y91-E183 PolarHBondContact OH-OE1 2.84Å; K95-E183 IonicContact NZ-OE1 2.8Å; K95-E183 PolarHBondContact NZ-OE1 2.88Å; K95-E183 IonicContact NZ-OE2 3.47Å; K95-E183 PolarHBondContact NZ-OE2 3.49Å; I114-E183 HydrophobicContact CG1-CG 3.98Å; F179-E183 WeakPolarHBondContact O-CG 3.29Å; F179-E183 PolarHBondContact O-N 2.92Å; D180-E183 PolarHBondContact O-N 3.49Å
184R96Very high97.3Very high150 Ų15050.8 Ų50.857%0.56623%0.228SC*.THydrogen-bonded Turntrans-90.64.7179.2-62.5-167.7176.8110.810.9114.2D180 C182 R186D180-R184 WeakPolarHBondContact O-CB 3.14Å; D180-R184 PolarHBondContact O-N 3.36Å; D180-R184 IonicContact OD1-CZ 3.89Å; D180-R184 VanDerWaalsContact OD1-CZ 3.22Å; D180-R184 IonicContact OD1-NH1 3.68Å; D180-R184 PolarHBondContact OD1-NH1 3.36Å; D180-R184 IonicContact OD1-NH2 2.71Å; D180-R184 IonicContact OD2-CZ 3.53Å; D180-R184 IonicContact OD2-NH1 2.68Å; D180-R184 PolarHBondContact OD2-NH1 3.38Å; C182-R184 VanDerWaalsContact C-N 3.34Å; C182-R184 PolarHBondContact O-N 3.3Å; R184-R186 HydrophobicContact CB-CG 3.91Å; R184-R186 PolarHBondContact O-N 3.27Å; R184-R186 VanDerWaalsContact O-N 3.16Å
185R95.7Very high97.3Very high192 Ų19252.4 Ų52.473%0.72525%0.245SC*.THydrogen-bonded Turntrans5036-175.3-58.8-176.9178.4150.5-0.4113.7A181 C182 Y187A181-R185 CarbonylContact O-C 3.48Å; A181-R185 VanDerWaalsContact O-CA 3.31Å; A181-R185 WeakPolarHBondContact O-CA 3.33Å; A181-R185 PolarHBondContact O-N 2.84Å; C182-R185 PolarHBondContact O-N 2.8Å; R185-Y187 HydrophobicContact CB-CE2 4.37Å; R185-Y187 WeakPolarHBondContact O-CD2 3.32Å; R185-Y187 PolarHBondContact O-N 2.99Å
186R95.4Very high97.3Very high71 Ų7153.2 Ų53.227%0.26825%0.251SS..  trans-87.876178.6-65.8-168.7-65.3165.90.4110.5D180 A181 R184 W188 A189 L190D180-R186 IonicContact OD2-CZ 3.38Å; D180-R186 IonicContact OD2-NE 2.79Å; D180-R186 IonicContact OD2-NH2 3.26Å; D180-R186 PolarHBondContact OD2-NH2 3.49Å; A181-R186 HydrophobicContact CB-CB 4.46Å; A181-R186 PolarHBondContact O-N 3.35Å; R184-R186 HydrophobicContact CB-CG 3.91Å; R184-R186 PolarHBondContact O-N 3.27Å; R184-R186 VanDerWaalsContact O-N 3.16Å; R186-W188 PolarHBondContact O-N 3.19Å; R186-W188 VanDerWaalsContact O-N 3.16Å; R186-A189 HydrophobicContact CB-CB 4.25Å; R186-A189 WeakPolarHBondContact O-CB 3.49Å; R186-A189 PolarHBondContact O-N 3.21Å; R186-L190 PolarHBondContact O-N 2.83Å
187Y94.1Very high97.3Very high166 Ų16652.8 Ų52.865%0.65125%0.248SC*.Hα-helixtrans-58.7-30.1-175.3-58.7-68.4000114.3R185 A189 L190 G191R185-Y187 HydrophobicContact CB-CE2 4.37Å; R185-Y187 WeakPolarHBondContact O-CD2 3.32Å; R185-Y187 PolarHBondContact O-N 2.99Å; Y187-A189 VanDerWaalsContact C-N 3.28Å; Y187-A189 PolarHBondContact O-N 3.34Å; Y187-L190 HydrophobicContact CD1-CD1 4.1Å; Y187-L190 WeakPolarHBondContact O-CB 3.46Å; Y187-L190 PolarHBondContact O-N 3.18Å; Y187-G191 PolarHBondContact O-N 2.89Å
188W97.3Very high97.3Very high149 Ų14955.8 Ų55.856%0.56426%0.264SS*.Hα-helixtrans-61.5-36.8174.670.6-96000112.3R186 G191 L192 W227R186-W188 PolarHBondContact O-N 3.19Å; R186-W188 VanDerWaalsContact O-N 3.16Å; W188-G191 PolarHBondContact O-N 2.94Å; W188-L192 HydrophobicContact CE3-CD1 3.52Å; W188-L192 HydrophobicContact CE3-CG 4.39Å; W188-L192 HydrophobicContact CZ3-CD1 3.44Å; W188-L192 VanDerWaalsContact CZ3-CD1 3.44Å; W188-L192 PolarHBondContact O-N 3.5Å; W188-W227 HydrophobicContact CE3-CH2 4.36Å; W188-W227 AromaticContact CH2-CH2 3.82Å; W188-W227 HydrophobicContact CH2-CH2 3.82Å; W188-W227 AromaticContact CH2-CZ2 3.55Å; W188-W227 HydrophobicContact CH2-CZ2 3.55Å; W188-W227 HydrophobicContact CZ2-CZ2 4.46Å; W188-W227 AromaticContact CZ3-CH2 3.48Å; W188-W227 HydrophobicContact CZ3-CH2 3.48Å; W188-W227 VanDerWaalsContact CZ3-CH2 3.48Å; W188-W227 AromaticContact CZ3-CZ2 3.75Å; W188-W227 HydrophobicContact CZ3-CZ2 3.75Å
189A97.4Very high97.3Very high0 Ų059.9 Ų59.90%029%0.285CS..Hα-helixtrans-71.9-35.8178.700000111.2A181 R186 Y187 L192 V193 W227A181-A189 HydrophobicContact CB-CB 3.78Å; R186-A189 HydrophobicContact CB-CB 4.25Å; R186-A189 WeakPolarHBondContact O-CB 3.49Å; R186-A189 PolarHBondContact O-N 3.21Å; Y187-A189 VanDerWaalsContact C-N 3.28Å; Y187-A189 PolarHBondContact O-N 3.34Å; A189-L192 PolarHBondContact O-N 3.36Å; A189-V193 WeakPolarHBondContact O-CG2 3.3Å; A189-V193 PolarHBondContact O-N 2.84Å; A189-W227 HydrophobicContact CB-CH2 3.93Å; A189-W227 HydrophobicContact CB-CZ2 3.81Å
190L97Very high97.3Very high27 Ų2759.7 Ų59.714%0.14129%0.285CS..Hα-helixtrans-59.7-47.9169.3-66.2174.5000110.7F178 A181 R186 Y187 L192 V193 V194F178-L190 HydrophobicContact CD1-CD2 4.16Å; F178-L190 HydrophobicContact CD2-CD2 3.62Å; F178-L190 HydrophobicContact CE1-CD2 4.23Å; F178-L190 HydrophobicContact CE2-CD2 3.72Å; F178-L190 HydrophobicContact CG-CD2 3.84Å; F178-L190 HydrophobicContact CZ-CD2 4Å; A181-L190 HydrophobicContact CB-CD2 3.71Å; A181-L190 HydrophobicContact CB-CG 3.74Å; R186-L190 PolarHBondContact O-N 2.83Å; Y187-L190 HydrophobicContact CD1-CD1 4.1Å; Y187-L190 WeakPolarHBondContact O-CB 3.46Å; Y187-L190 PolarHBondContact O-N 3.18Å; L190-L192 VanDerWaalsContact C-N 3.26Å; L190-L192 PolarHBondContact O-N 2.81Å; L190-V193 PolarHBondContact O-N 3.39Å; L190-V193 VanDerWaalsContact O-N 3.09Å; L190-V194 WeakPolarHBondContact O-CG2 3.41Å; L190-V194 PolarHBondContact O-N 2.85Å
191G97.5Very high97.4Very high46 Ų4659.7 Ų59.747%0.47429%0.287SS..Hα-helixtrans-56.3-38.6176.200000113.1Y187 W188 G195Y187-G191 PolarHBondContact O-N 2.89Å; W188-G191 PolarHBondContact O-N 2.94Å; G191-G195 PolarHBondContact O-N 3.39Å
192L98Very high97.3Very high87 Ų8761.5 Ų61.546%0.45531%0.305SS..Hα-helixtrans-71.8-33.8175.5-73176000113.7W188 A189 L190 S196 W227W188-L192 HydrophobicContact CE3-CD1 3.52Å; W188-L192 HydrophobicContact CE3-CG 4.39Å; W188-L192 HydrophobicContact CZ3-CD1 3.44Å; W188-L192 VanDerWaalsContact CZ3-CD1 3.44Å; W188-L192 PolarHBondContact O-N 3.5Å; A189-L192 PolarHBondContact O-N 3.36Å; L190-L192 VanDerWaalsContact C-N 3.26Å; L190-L192 PolarHBondContact O-N 2.81Å; L192-S196 VanDerWaalsContact O-CB 3.22Å; L192-S196 WeakPolarHBondContact O-CB 3.44Å; L192-S196 PolarHBondContact O-N 2.87Å; L192-S196 PolarHBondContact O-OG 3.23Å; L192-W227 HydrophobicContact CB-CH2 4.26Å; L192-W227 HydrophobicContact CB-CZ3 4.18Å; L192-W227 HydrophobicContact CD1-CH2 3.74Å; L192-W227 HydrophobicContact CD1-CZ3 3.86Å
193V98.5Very high97.3Very high0 Ų061.9 Ų61.90%031%0.306CS..Hα-helixtrans-62.7-51.8171.9169.90000109.9W174 V177 F178 A189 L190 G195 S196 H197W174-V193 HydrophobicContact CB-CG1 3.75Å; W174-V193 HydrophobicContact CG-CG1 3.83Å; V177-V193 HydrophobicContact CB-CG2 4.14Å; V177-V193 HydrophobicContact CG1-CG2 3.83Å; F178-V193 HydrophobicContact CB-CG1 4.49Å; F178-V193 HydrophobicContact CD2-CG1 4.04Å; A189-V193 WeakPolarHBondContact O-CG2 3.3Å; A189-V193 PolarHBondContact O-N 2.84Å; L190-V193 PolarHBondContact O-N 3.39Å; L190-V193 VanDerWaalsContact O-N 3.09Å; V193-G195 PolarHBondContact O-N 3.02Å; V193-S196 PolarHBondContact O-N 3.42Å; V193-S196 PolarHBondContact O-OG 3.47Å; V193-S196 VanDerWaalsContact O-OG 3.05Å; V193-H197 WeakPolarHBondContact O-CB 3.38Å; V193-H197 PolarHBondContact O-N 3.43Å
194V98.4Very high97.3Very high36 Ų3660.4 Ų60.422%0.21830%0.302CS..Hα-helixtrans-61-45.9177.9-176.90000111.1L81 E84 L190 H197 L198L81-V194 HydrophobicContact CD2-CG1 3.98Å; E84-V194 HydrophobicContact CB-CG2 4.18Å; E84-V194 HydrophobicContact CG-CB 4.44Å; E84-V194 HydrophobicContact CG-CG1 4.31Å; E84-V194 HydrophobicContact CG-CG2 3.91Å; L190-V194 WeakPolarHBondContact O-CG2 3.41Å; L190-V194 PolarHBondContact O-N 2.85Å; V194-H197 PolarHBondContact O-N 3.44Å; V194-L198 HydrophobicContact CG1-CD1 4.13Å; V194-L198 WeakPolarHBondContact O-CG 3.32Å; V194-L198 PolarHBondContact O-N 3.44Å
195G98.4Very high97.3Very high35 Ų3556.3 Ų56.336%0.36129%0.288SS..Hα-helixtrans-63.9-41.3179.800000113.1G191 V193 L198 L199G191-G195 PolarHBondContact O-N 3.39Å; V193-G195 PolarHBondContact O-N 3.02Å; G195-L198 PolarHBondContact O-N 3.19Å; G195-L199 VanDerWaalsContact O-CB 3.3Å; G195-L199 WeakPolarHBondContact O-CB 3.43Å; G195-L199 PolarHBondContact O-N 2.95Å
196S98.5Very high97.3Very high16 Ų1650.6 Ų50.611%0.11227%0.272CS..Hα-helixtrans-69.7-34.2175.358.10000112.2W174 L192 V193 L199 T200W174-S196 PolarHBondContact NE1-OG 2.94Å; L192-S196 VanDerWaalsContact O-CB 3.22Å; L192-S196 WeakPolarHBondContact O-CB 3.44Å; L192-S196 PolarHBondContact O-N 2.87Å; L192-S196 PolarHBondContact O-OG 3.23Å; V193-S196 PolarHBondContact O-N 3.42Å; V193-S196 PolarHBondContact O-OG 3.47Å; V193-S196 VanDerWaalsContact O-OG 3.05Å; S196-L199 PolarHBondContact O-N 3.44Å; S196-T200 WeakPolarHBondContact O-CB 3.44Å; S196-T200 PolarHBondContact O-N 2.98Å; S196-T200 PolarHBondContact O-OG1 2.86Å
197H98.7Very high97.1Very high5 Ų549.9 Ų49.92%0.02327%0.274CS..Hα-helixtrans-66.7-42.9173.7-169.9-174.2000112.2V80 Q83 E84 H171 W174 V193 V194 T200 S201V80-H197 HydrophobicContact CG1-CB 4.03Å; Q83-H197 PolarHBondContact OE1-CE1 3.28Å; E84-H197 IonicContact OE1-CE1 3.7Å; E84-H197 IonicContact OE1-CG 2.61Å; E84-H197 IonicContact OE1-ND1 3.75Å; E84-H197 PolarHBondContact OE1-ND1 3.42Å; H171-H197 AromaticContact CE1-CE1 3.58Å; H171-H197 AromaticContact CE1-NE2 3.68Å; W174-H197 HydrophobicContact CD2-CB 4.37Å; W174-H197 HydrophobicContact CE3-CB 4.24Å; W174-H197 HydrophobicContact CH2-CB 3.76Å; W174-H197 AromaticContact CH2-CD2 3.44Å; W174-H197 VanDerWaalsContact CH2-CD2 3.44Å; W174-H197 WeakPolarHBondContact CH2-CD2 3.39Å; W174-H197 AromaticContact CH2-CG 3.71Å; W174-H197 VanDerWaalsContact CZ2-CA 3.42Å; W174-H197 HydrophobicContact CZ2-CB 3.83Å; W174-H197 HydrophobicContact CZ3-CB 3.96Å; W174-H197 AromaticContact CZ3-CD2 3.34Å; W174-H197 WeakPolarHBondContact CZ3-CD2 3.41Å; W174-H197 AromaticContact CZ3-CG 3.54Å; W174-H197 AromaticContact CZ3-NE2 3.84Å; V193-H197 WeakPolarHBondContact O-CB 3.38Å; V193-H197 PolarHBondContact O-N 3.43Å; V194-H197 PolarHBondContact O-N 3.44Å; H197-T200 PolarHBondContact O-N 3.37Å; H197-S201 WeakPolarHBondContact O-CB 3.45Å; H197-S201 PolarHBondContact O-N 3.45Å; H197-S201 PolarHBondContact O-OG 3.42Å
198L98.4Very high96.9Very high63 Ų6346.3 Ų46.333%0.3327%0.27SS..Hα-helixtrans-62.3-44.2172.5-74.1169.4000111.8A77 V80 L81 V194 G195 S201 G202A77-L198 HydrophobicContact CB-CD2 4.2Å; V80-L198 HydrophobicContact CB-CD2 3.78Å; V80-L198 HydrophobicContact CB-CG 4.48Å; V80-L198 HydrophobicContact CG1-CD2 3.58Å; V80-L198 HydrophobicContact CG1-CG 3.73Å; V80-L198 HydrophobicContact CG2-CD2 4.34Å; L81-L198 HydrophobicContact CD2-CD1 4.47Å; V194-L198 HydrophobicContact CG1-CD1 4.13Å; V194-L198 WeakPolarHBondContact O-CG 3.32Å; V194-L198 PolarHBondContact O-N 3.44Å; G195-L198 PolarHBondContact O-N 3.19Å; L198-S201 PolarHBondContact O-N 2.72Å; L198-G202 PolarHBondContact O-N 3.23Å
199L98.2Very high96.6Very high94 Ų9448.3 Ų48.349%0.49228%0.278SS..Hα-helixtrans-60.3-51.5176.5175.263.9000111.3G195 S196 S201 G202 L203 V220G195-L199 VanDerWaalsContact O-CB 3.3Å; G195-L199 WeakPolarHBondContact O-CB 3.43Å; G195-L199 PolarHBondContact O-N 2.95Å; S196-L199 PolarHBondContact O-N 3.44Å; L199-S201 VanDerWaalsContact C-N 3.3Å; L199-S201 PolarHBondContact O-N 2.92Å; L199-G202 PolarHBondContact O-N 2.94Å; L199-L203 HydrophobicContact CD1-CD1 4.22Å; L199-L203 HydrophobicContact CD1-CG 4.24Å; L199-L203 HydrophobicContact CG-CD1 4.01Å; L199-L203 HydrophobicContact CG-CG 4.47Å; L199-L203 VanDerWaalsContact O-CG 3.31Å; L199-L203 WeakPolarHBondContact O-CG 3.46Å; L199-L203 PolarHBondContact O-N 3.47Å; L199-V220 HydrophobicContact CD2-CG2 4.38Å
200T98.2Very high96.4Very high0 Ų049.7 Ų49.70%028%0.283CS..Hα-helixtrans-57.9-44.3178-66.30000111I167 L170 W174 S196 H197 L203 T204 I217I167-T200 HydrophobicContact CD1-CG2 3.35Å; L170-T200 HydrophobicContact CD1-CG2 3.79Å; W174-T200 HydrophobicContact CH2-CG2 4.3Å; S196-T200 WeakPolarHBondContact O-CB 3.44Å; S196-T200 PolarHBondContact O-N 2.98Å; S196-T200 PolarHBondContact O-OG1 2.86Å; H197-T200 PolarHBondContact O-N 3.37Å; T200-L203 PolarHBondContact O-N 3.28Å; T200-T204 WeakPolarHBondContact O-CG2 3.38Å; T200-T204 PolarHBondContact O-N 2.93Å; T200-I217 HydrophobicContact CG2-CD1 4.42Å; T200-I217 HydrophobicContact CG2-CG1 4.19Å; T200-I217 HydrophobicContact CG2-CG2 4.17Å
201S97.7Very high96.1Very high23 Ų2355.1 Ų55.116%0.16131%0.308CS..Hα-helixtrans-63.2-43.8176.6-570000111.5V80 H197 L198 L199 L203 T204 F205V80-S201 WeakPolarHBondContact CG2-OG 3.48Å; H197-S201 WeakPolarHBondContact O-CB 3.45Å; H197-S201 PolarHBondContact O-N 3.45Å; H197-S201 PolarHBondContact O-OG 3.42Å; L198-S201 PolarHBondContact O-N 2.72Å; L199-S201 VanDerWaalsContact C-N 3.3Å; L199-S201 PolarHBondContact O-N 2.92Å; S201-L203 PolarHBondContact O-N 3.42Å; S201-T204 WeakPolarHBondContact O-CB 3.48Å; S201-T204 PolarHBondContact O-N 3.3Å; S201-T204 VanDerWaalsContact O-N 3.16Å; S201-T204 PolarHBondContact O-OG1 2.93Å; S201-F205 WeakPolarHBondContact O-CD2 3.38Å
202G97.2Very high96Very high38 Ų3854.9 Ų54.939%0.39230%0.302SS..Hα-helixtrans-59.5-41.8174.500000113.2L198 L199 T204 F205L198-G202 PolarHBondContact O-N 3.23Å; L199-G202 PolarHBondContact O-N 2.94Å; G202-T204 PolarHBondContact O-N 3.27Å; G202-F205 WeakPolarHBondContact O-CB 3.12Å; G202-F205 PolarHBondContact O-N 2.73Å; G202-F205 VanDerWaalsContact O-N 3.13Å
203L97.7Very high95.9Very high25 Ų2550.8 Ų50.813%0.13128%0.28CS..Hα-helixtrans-62.2-26.9177.1-72.3166.2000112.4L199 T200 S201 F205 L206 S213 P216 I217L199-L203 HydrophobicContact CD1-CD1 4.22Å; L199-L203 HydrophobicContact CD1-CG 4.24Å; L199-L203 HydrophobicContact CG-CD1 4.01Å; L199-L203 HydrophobicContact CG-CG 4.47Å; L199-L203 VanDerWaalsContact O-CG 3.31Å; L199-L203 WeakPolarHBondContact O-CG 3.46Å; L199-L203 PolarHBondContact O-N 3.47Å; T200-L203 PolarHBondContact O-N 3.28Å; S201-L203 PolarHBondContact O-N 3.42Å; L203-F205 PolarHBondContact O-N 3.32Å; L203-L206 HydrophobicContact CD2-CD1 3.81Å; L203-L206 WeakPolarHBondContact O-CB 3.31Å; L203-L206 PolarHBondContact O-N 2.87Å; L203-L206 VanDerWaalsContact O-N 3.16Å; L203-S213 WeakPolarHBondContact O-CB 3.28Å; L203-P216 HydrophobicContact CD1-CB 3.88Å; L203-P216 HydrophobicContact CD2-CB 4.21Å; L203-I217 HydrophobicContact CB-CD1 3.89Å; L203-I217 HydrophobicContact CB-CG1 3.86Å; L203-I217 HydrophobicContact CD1-CG1 3.88Å
204T96.1Very high95.8Very high45 Ų4552.1 Ų52.128%0.27629%0.287SS..Hα-helixtrans-66.1-27176.670.50000113.2L163 T200 S201 G202 L206 N207 I217L163-T204 HydrophobicContact CD1-CG2 4.06Å; L163-T204 HydrophobicContact CD2-CG2 4Å; T200-T204 WeakPolarHBondContact O-CG2 3.38Å; T200-T204 PolarHBondContact O-N 2.93Å; S201-T204 WeakPolarHBondContact O-CB 3.48Å; S201-T204 PolarHBondContact O-N 3.3Å; S201-T204 VanDerWaalsContact O-N 3.16Å; S201-T204 PolarHBondContact O-OG1 2.93Å; G202-T204 PolarHBondContact O-N 3.27Å; T204-L206 PolarHBondContact O-N 2.85Å; T204-N207 WeakPolarHBondContact O-CB 3.4Å; T204-N207 PolarHBondContact O-N 3.28Å; T204-N207 PolarHBondContact O-ND2 3.35Å; T204-I217 HydrophobicContact CG2-CD1 4.17Å
205F95.6Very high95.7Very high64 Ų6455.2 Ų55.228%0.28130%0.302SS..THydrogen-bonded Turntrans-71.3-11.2175.4-70.5-84.9000113.6Y69 L72 I73 A76 S201 G202 L203 N207Y69-F205 HydrophobicContact CE2-CD1 4.47Å; L72-F205 HydrophobicContact CB-CE1 4.41Å; I73-F205 HydrophobicContact CG1-CD1 4.15Å; I73-F205 HydrophobicContact CG1-CE1 3.96Å; I73-F205 HydrophobicContact CG1-CE2 4.41Å; I73-F205 HydrophobicContact CG1-CG 4.45Å; I73-F205 HydrophobicContact CG1-CZ 4.1Å; A76-F205 HydrophobicContact CB-CE2 3.77Å; A76-F205 HydrophobicContact CB-CZ 3.71Å; S201-F205 WeakPolarHBondContact O-CD2 3.38Å; G202-F205 WeakPolarHBondContact O-CB 3.12Å; G202-F205 PolarHBondContact O-N 2.73Å; G202-F205 VanDerWaalsContact O-N 3.13Å; L203-F205 PolarHBondContact O-N 3.32Å; F205-N207 PolarHBondContact O-N 3.13Å
206L94.6Very high95.7Very high73 Ų7355.9 Ų55.938%0.38230%0.3SS..THydrogen-bonded Turntrans-76-10.8173.4-60.1178.8000112.6L203 T204 W209 A212L203-L206 HydrophobicContact CD2-CD1 3.81Å; L203-L206 WeakPolarHBondContact O-CB 3.31Å; L203-L206 PolarHBondContact O-N 2.87Å; L203-L206 VanDerWaalsContact O-N 3.16Å; T204-L206 PolarHBondContact O-N 2.85Å; L206-W209 WeakPolarHBondContact O-CA 3.32Å; L206-W209 VanDerWaalsContact O-CB 3.29Å; L206-W209 WeakPolarHBondContact O-CB 3.48Å; L206-W209 PolarHBondContact O-N 2.64Å; L206-A212 HydrophobicContact CD1-CB 4.26Å
207N92Very high95.7Very high56 Ų5655.1 Ų55.130%0.29930%0.295SS..THydrogen-bonded Turntrans-60135.5173.6-71.9-15.6000110.1T204 F205 Y210 S213T204-N207 WeakPolarHBondContact O-CB 3.4Å; T204-N207 PolarHBondContact O-N 3.28Å; T204-N207 PolarHBondContact O-ND2 3.35Å; F205-N207 PolarHBondContact O-N 3.13Å; N207-Y210 HydrophobicContact CB-CD1 4.5Å; N207-Y210 HydrophobicContact CB-CE1 4.21Å; N207-Y210 WeakPolarHBondContact OD1-CD1 3.44Å; N207-S213 WeakPolarHBondContact OD1-CB 3.25Å; N207-S213 PolarHBondContact OD1-OG 3.29Å
208P89.8Confident95.6Very high90 Ų9058.1 Ų58.158%0.58431%0.306SS*.THydrogen-bonded Turncis-93.514.41937.1-37.5000115.9Y210P208-Y210 HydrophobicContact CB-CE1 4.37Å; P208-Y210 HydrophobicContact CB-CE2 4.48Å; P208-Y210 WeakPolarHBondContact O-CD2 3.31Å; P208-Y210 PolarHBondContact O-N 3.31Å
209W91.4Very high95.6Very high191 Ų19157.7 Ų57.772%0.72331%0.312SS*.  trans-72.871.5171.1-61.7-9.6000110.8L206 E211 A212 S213L206-W209 WeakPolarHBondContact O-CA 3.32Å; L206-W209 VanDerWaalsContact O-CB 3.29Å; L206-W209 WeakPolarHBondContact O-CB 3.48Å; L206-W209 PolarHBondContact O-N 2.64Å; W209-E211 PolarHBondContact O-N 3.16Å; W209-E211 VanDerWaalsContact O-N 3.16Å; W209-A212 HydrophobicContact CB-CB 4.01Å; W209-A212 WeakPolarHBondContact O-CA 3.42Å; W209-A212 WeakPolarHBondContact O-CB 3.5Å; W209-A212 PolarHBondContact O-N 3.45Å; W209-S213 PolarHBondContact O-N 3.32Å; W209-S213 VanDerWaalsContact O-N 3.14Å
210Y92.2Very high95.7Very high29 Ų2954.7 Ų54.711%0.11430%0.297CS..Hα-helixtrans-58.8-32.1-171.1-59.5-48.6000113.6S153 T159 N207 P208 A212 S213 L214S153-Y210 WeakPolarHBondContact OG-CE2 3.32Å; T159-Y210 HydrophobicContact CG2-CD1 3.37Å; T159-Y210 HydrophobicContact CG2-CE1 3.89Å; T159-Y210 HydrophobicContact CG2-CG 3.76Å; N207-Y210 HydrophobicContact CB-CD1 4.5Å; N207-Y210 HydrophobicContact CB-CE1 4.21Å; N207-Y210 WeakPolarHBondContact OD1-CD1 3.44Å; P208-Y210 HydrophobicContact CB-CE1 4.37Å; P208-Y210 HydrophobicContact CB-CE2 4.48Å; P208-Y210 WeakPolarHBondContact O-CD2 3.31Å; P208-Y210 PolarHBondContact O-N 3.31Å; Y210-A212 VanDerWaalsContact C-N 3.32Å; Y210-A212 PolarHBondContact O-N 3.25Å; Y210-S213 WeakPolarHBondContact CA-OG 3.27Å; Y210-S213 PolarHBondContact O-N 2.85Å; Y210-S213 PolarHBondContact O-OG 3.08Å; Y210-L214 WeakPolarHBondContact O-CA 3.48Å; Y210-L214 WeakPolarHBondContact O-CB 3.22Å; Y210-L214 PolarHBondContact O-N 3.41Å
211E91.5Very high95.7Very high141 Ų14155 Ų5566%0.65930%0.299SS*.Hα-helixtrans-66.6-36.5175.1-59.6-56.9139.900112W209 L215W209-E211 PolarHBondContact O-N 3.16Å; W209-E211 VanDerWaalsContact O-N 3.16Å; E211-L215 WeakPolarHBondContact OE2-CD1 3.48Å
212A94.5Very high95.7Very high41 Ų4158.8 Ų58.834%0.33932%0.321SS..Hα-helixtrans-78.4-19.7179.700000113L206 W209 Y210 P216L206-A212 HydrophobicContact CD1-CB 4.26Å; W209-A212 HydrophobicContact CB-CB 4.01Å; W209-A212 WeakPolarHBondContact O-CA 3.42Å; W209-A212 WeakPolarHBondContact O-CB 3.5Å; W209-A212 PolarHBondContact O-N 3.45Å; Y210-A212 VanDerWaalsContact C-N 3.32Å; Y210-A212 PolarHBondContact O-N 3.25Å; A212-P216 WeakPolarHBondContact O-CG 3.48Å
213S95.9Very high95.8Very high1 Ų160.8 Ų60.81%0.00733%0.329CS..Hα-helixtrans-98.1-5517663.40000112.2L203 N207 W209 Y210 P216 I217L203-S213 WeakPolarHBondContact O-CB 3.28Å; N207-S213 WeakPolarHBondContact OD1-CB 3.25Å; N207-S213 PolarHBondContact OD1-OG 3.29Å; W209-S213 PolarHBondContact O-N 3.32Å; W209-S213 VanDerWaalsContact O-N 3.14Å; Y210-S213 WeakPolarHBondContact CA-OG 3.27Å; Y210-S213 PolarHBondContact O-N 2.85Å; Y210-S213 PolarHBondContact O-OG 3.08Å; S213-P216 WeakPolarHBondContact O-CD 3.47Å; S213-I217 WeakPolarHBondContact O-CB 3.4Å; S213-I217 WeakPolarHBondContact O-CD1 3.44Å; S213-I217 WeakPolarHBondContact O-CG1 3.43Å; S213-I217 PolarHBondContact O-N 3.21Å; S213-I217 VanDerWaalsContact O-N 3.08Å
214L96.2Very high95.8Very high29 Ų2960.1 Ų60.115%0.15233%0.326CS..Hα-helixtrans-69.7-46.2-167.5-163.968.9000112.2T159 F162 L163 Y210 I217 Y218T159-L214 HydrophobicContact CG2-CD1 4.24Å; T159-L214 HydrophobicContact CG2-CD2 4.23Å; F162-L214 HydrophobicContact CB-CD1 4.07Å; F162-L214 HydrophobicContact CB-CD2 4.35Å; L163-L214 HydrophobicContact CB-CD1 4.38Å; Y210-L214 WeakPolarHBondContact O-CA 3.48Å; Y210-L214 WeakPolarHBondContact O-CB 3.22Å; Y210-L214 PolarHBondContact O-N 3.41Å; L214-I217 PolarHBondContact O-N 2.86Å; L214-Y218 HydrophobicContact CD1-CD2 3.98Å; L214-Y218 HydrophobicContact CD1-CE2 3.76Å; L214-Y218 HydrophobicContact CG-CD2 3.95Å; L214-Y218 HydrophobicContact CG-CE2 4.09Å; L214-Y218 WeakPolarHBondContact O-CD2 3.45Å; L214-Y218 PolarHBondContact O-N 3.37Å
215L96.8Very high95.9Very high101 Ų10158.7 Ų58.753%0.52932%0.32SS..Hα-helixtrans-61.5-50.6-179.9-86.567.9000111.5E211 I217 Y218 A219E211-L215 WeakPolarHBondContact OE2-CD1 3.48Å; L215-I217 VanDerWaalsContact C-N 3.34Å; L215-I217 PolarHBondContact O-N 3.4Å; L215-Y218 PolarHBondContact O-N 2.92Å; L215-A219 PolarHBondContact O-N 2.9Å
216P98Very high96Very high48 Ų4860.6 Ų60.631%0.31233%0.332SS..Hα-helixtrans-59.9-40174.9-29.339.3000113.4L203 A212 S213 Y218 A219 V220L203-P216 HydrophobicContact CD1-CB 3.88Å; L203-P216 HydrophobicContact CD2-CB 4.21Å; A212-P216 WeakPolarHBondContact O-CG 3.48Å; S213-P216 WeakPolarHBondContact O-CD 3.47Å; P216-Y218 PolarHBondContact O-N 3.26Å; P216-A219 WeakPolarHBondContact O-CB 3.27Å; P216-A219 PolarHBondContact O-N 3.48Å; P216-V220 WeakPolarHBondContact O-CG2 3.36Å; P216-V220 PolarHBondContact O-N 3.29Å
217I98.5Very high96.2Very high0 Ų059.8 Ų59.80%032%0.324CS..Hα-helixtrans-63.2-42.1177.7-70.8171.2000111.2L163 A166 L170 T200 L203 T204 S213 L214 L215 V220 T221L163-I217 HydrophobicContact CD1-CD1 3.49Å; L163-I217 VanDerWaalsContact CD1-CD1 3.49Å; L163-I217 HydrophobicContact CD1-CG2 4.19Å; A166-I217 HydrophobicContact CB-CG2 3.78Å; L170-I217 HydrophobicContact CD1-CG2 4.35Å; T200-I217 HydrophobicContact CG2-CD1 4.42Å; T200-I217 HydrophobicContact CG2-CG1 4.19Å; T200-I217 HydrophobicContact CG2-CG2 4.17Å; L203-I217 HydrophobicContact CB-CD1 3.89Å; L203-I217 HydrophobicContact CB-CG1 3.86Å; L203-I217 HydrophobicContact CD1-CG1 3.88Å; T204-I217 HydrophobicContact CG2-CD1 4.17Å; S213-I217 WeakPolarHBondContact O-CB 3.4Å; S213-I217 WeakPolarHBondContact O-CD1 3.44Å; S213-I217 WeakPolarHBondContact O-CG1 3.43Å; S213-I217 PolarHBondContact O-N 3.21Å; S213-I217 VanDerWaalsContact O-N 3.08Å; L214-I217 PolarHBondContact O-N 2.86Å; L215-I217 VanDerWaalsContact C-N 3.34Å; L215-I217 PolarHBondContact O-N 3.4Å; I217-V220 PolarHBondContact O-N 2.9Å; I217-T221 WeakPolarHBondContact O-CB 3.05Å; I217-T221 PolarHBondContact O-N 2.76Å; I217-T221 PolarHBondContact O-OG1 3.23Å
218Y98.3Very high96.5Very high68 Ų6857.4 Ų57.427%0.26731%0.312SS..Hα-helixtrans-69.1-35.1175.3-92.8-84.4000112.8F162 A166 L214 L215 P216 T221 V222F162-Y218 HydrophobicContact CB-CE2 4.06Å; F162-Y218 WeakPolarHBondContact CD1-OH 3.27Å; F162-Y218 PolarHBondContact O-OH 3.44Å; A166-Y218 HydrophobicContact CB-CD2 4.36Å; A166-Y218 HydrophobicContact CB-CE1 4.4Å; A166-Y218 HydrophobicContact CB-CE2 3.94Å; L214-Y218 HydrophobicContact CD1-CD2 3.98Å; L214-Y218 HydrophobicContact CD1-CE2 3.76Å; L214-Y218 HydrophobicContact CG-CD2 3.95Å; L214-Y218 HydrophobicContact CG-CE2 4.09Å; L214-Y218 WeakPolarHBondContact O-CD2 3.45Å; L214-Y218 PolarHBondContact O-N 3.37Å; L215-Y218 PolarHBondContact O-N 2.92Å; P216-Y218 PolarHBondContact O-N 3.26Å; Y218-T221 WeakPolarHBondContact O-CB 3.44Å; Y218-T221 PolarHBondContact O-N 3Å; Y218-V222 WeakPolarHBondContact O-CG2 3.48Å; Y218-V222 PolarHBondContact O-N 2.98Å
219A98.4Very high96.8Very high55 Ų5556.8 Ų56.846%0.45530%0.3SS..Hα-helixtrans-60-47.4171.600000110.9L215 P216 T221 V222 S223L215-A219 PolarHBondContact O-N 2.9Å; P216-A219 WeakPolarHBondContact O-CB 3.27Å; P216-A219 PolarHBondContact O-N 3.48Å; A219-T221 VanDerWaalsContact C-N 3.3Å; A219-T221 PolarHBondContact O-N 3.19Å; A219-V222 PolarHBondContact O-N 3.28Å; A219-S223 WeakPolarHBondContact O-CB 3.37Å; A219-S223 PolarHBondContact O-N 3Å; A219-S223 PolarHBondContact O-OG 3.2Å; A219-S223 VanDerWaalsContact O-OG 3.06Å
220V98.5Very high97Very high30 Ų3052.4 Ų52.418%0.18229%0.29CS..Hα-helixtrans-59.8-41.5173.9176.10000111L170 L199 P216 I217 S223 M224L170-V220 HydrophobicContact CD2-CG1 4.01Å; L199-V220 HydrophobicContact CD2-CG2 4.38Å; P216-V220 WeakPolarHBondContact O-CG2 3.36Å; P216-V220 PolarHBondContact O-N 3.29Å; I217-V220 PolarHBondContact O-N 2.9Å; V220-S223 PolarHBondContact O-N 3.06Å; V220-M224 WeakPolarHBondContact O-CB 3.19Å; V220-M224 PolarHBondContact O-N 3.03Å
221T98.6Very high97.1Very high6 Ų652 Ų524%0.03729%0.291CS..Hα-helixtrans-61.1-46.5177.9-55.70000112L169 L170 F173 I217 Y218 A219 G225L169-T221 HydrophobicContact CB-CG2 4.09Å; L170-T221 WeakPolarHBondContact CD1-OG1 3.27Å; L170-T221 HydrophobicContact CG-CG2 4.28Å; L170-T221 WeakPolarHBondContact CG-OG1 3.42Å; F173-T221 HydrophobicContact CD2-CG2 4.49Å; F173-T221 HydrophobicContact CE2-CG2 3.98Å; I217-T221 WeakPolarHBondContact O-CB 3.05Å; I217-T221 PolarHBondContact O-N 2.76Å; I217-T221 PolarHBondContact O-OG1 3.23Å; Y218-T221 WeakPolarHBondContact O-CB 3.44Å; Y218-T221 PolarHBondContact O-N 3Å; A219-T221 VanDerWaalsContact C-N 3.3Å; A219-T221 PolarHBondContact O-N 3.19Å; T221-G225 PolarHBondContact O-N 3.44Å
222V98.5Very high97.1Very high103 Ų10346.7 Ų46.762%0.62427%0.271SS*.Hα-helixtrans-67-44.8178.3172.10000111Y218 A219 G225 L226Y218-V222 WeakPolarHBondContact O-CG2 3.48Å; Y218-V222 PolarHBondContact O-N 2.98Å; A219-V222 PolarHBondContact O-N 3.28Å; V222-G225 PolarHBondContact O-N 2.98Å; V222-L226 WeakPolarHBondContact O-CB 3.41Å; V222-L226 PolarHBondContact O-N 3.11Å
223S98.3Very high96.9Very high81 Ų8147.7 Ų47.757%0.56629%0.285SS*.Hα-helixtrans-62-45.9177.7-61.60000112.2A219 V220 L226 W227A219-S223 WeakPolarHBondContact O-CB 3.37Å; A219-S223 PolarHBondContact O-N 3Å; A219-S223 PolarHBondContact O-OG 3.2Å; A219-S223 VanDerWaalsContact O-OG 3.06Å; V220-S223 PolarHBondContact O-N 3.06Å; S223-L226 PolarHBondContact O-N 3.4Å; S223-W227 PolarHBondContact O-N 2.69Å; S223-W227 VanDerWaalsContact O-N 3.07Å
224M98.6Very high96.5Very high11 Ų1148.2 Ų48.25%0.05429%0.291CS..Hα-helixtrans-68.9-36.7178-171.855.967.500111.5L170 F173 V177 V220 W227 A228L170-M224 HydrophobicContact CD2-CB 3.93Å; L170-M224 HydrophobicContact CD2-CG 4.21Å; F173-M224 HydrophobicContact CB-CB 4.38Å; F173-M224 HydrophobicContact CB-CG 3.62Å; V177-M224 HydrophobicContact CB-SD 4.34Å; V177-M224 HydrophobicContact CG2-SD 3.87Å; V220-M224 WeakPolarHBondContact O-CB 3.19Å; V220-M224 PolarHBondContact O-N 3.03Å; M224-W227 HydrophobicContact CE-CE3 4.14Å; M224-W227 HydrophobicContact CE-CZ3 4.35Å; M224-W227 PolarHBondContact O-N 2.95Å; M224-W227 HydrophobicContact SD-CE3 4.15Å; M224-A228 WeakPolarHBondContact O-CB 3.47Å; M224-A228 PolarHBondContact O-N 3.49Å
225G98.3Very high96.2Very high14 Ų1449.4 Ų49.414%0.14430%0.302CS..Hα-helixtrans-62.5-43.3173.900000112.8F173 T221 V222 W227 A228 F229F173-G225 VanDerWaalsContact CD2-CA 3.41Å; T221-G225 PolarHBondContact O-N 3.44Å; V222-G225 PolarHBondContact O-N 2.98Å; G225-W227 VanDerWaalsContact C-N 3.34Å; G225-W227 PolarHBondContact O-N 3.16Å; G225-A228 PolarHBondContact O-N 2.91Å; G225-F229 WeakPolarHBondContact O-CB 3.47Å; G225-F229 PolarHBondContact O-N 3.38Å
226L97.6Very high95.6Very high105 Ų10551.3 Ų51.355%0.5531%0.311SS..Hα-helixtrans-62.5-42.2174.1179.859.4000111.4V222 S223 F229 I230V222-L226 WeakPolarHBondContact O-CB 3.41Å; V222-L226 PolarHBondContact O-N 3.11Å; S223-L226 PolarHBondContact O-N 3.4Å; L226-F229 PolarHBondContact O-N 3.48Å; L226-I230 HydrophobicContact CD1-CD1 4.16Å; L226-I230 HydrophobicContact CD1-CG1 4.46Å; L226-I230 HydrophobicContact CG-CD1 4.1Å; L226-I230 WeakPolarHBondContact O-CG1 3.41Å; L226-I230 PolarHBondContact O-N 2.97Å
227W97.9Very high94.9Very high56 Ų5657.7 Ų57.721%0.21233%0.329CS..Hα-helixtrans-65.7-44.5176.5-172.34.1000111.9V177 W188 A189 L192 S223 M224 G225 F229 I230 T231V177-W227 HydrophobicContact CG1-CD2 4.22Å; V177-W227 HydrophobicContact CG1-CH2 4.21Å; V177-W227 HydrophobicContact CG1-CZ2 3.89Å; V177-W227 HydrophobicContact CG2-CD2 4.29Å; V177-W227 HydrophobicContact CG2-CG 4.16Å; W188-W227 HydrophobicContact CE3-CH2 4.36Å; W188-W227 AromaticContact CH2-CH2 3.82Å; W188-W227 HydrophobicContact CH2-CH2 3.82Å; W188-W227 AromaticContact CH2-CZ2 3.55Å; W188-W227 HydrophobicContact CH2-CZ2 3.55Å; W188-W227 HydrophobicContact CZ2-CZ2 4.46Å; W188-W227 AromaticContact CZ3-CH2 3.48Å; W188-W227 HydrophobicContact CZ3-CH2 3.48Å; W188-W227 VanDerWaalsContact CZ3-CH2 3.48Å; W188-W227 AromaticContact CZ3-CZ2 3.75Å; W188-W227 HydrophobicContact CZ3-CZ2 3.75Å; A189-W227 HydrophobicContact CB-CH2 3.93Å; A189-W227 HydrophobicContact CB-CZ2 3.81Å; L192-W227 HydrophobicContact CB-CH2 4.26Å; L192-W227 HydrophobicContact CB-CZ3 4.18Å; L192-W227 HydrophobicContact CD1-CH2 3.74Å; L192-W227 HydrophobicContact CD1-CZ3 3.86Å; S223-W227 PolarHBondContact O-N 2.69Å; S223-W227 VanDerWaalsContact O-N 3.07Å; M224-W227 HydrophobicContact CE-CE3 4.14Å; M224-W227 HydrophobicContact CE-CZ3 4.35Å; M224-W227 PolarHBondContact O-N 2.95Å; M224-W227 HydrophobicContact SD-CE3 4.15Å; G225-W227 VanDerWaalsContact C-N 3.34Å; G225-W227 PolarHBondContact O-N 3.16Å; W227-F229 VanDerWaalsContact C-N 3.3Å; W227-F229 PolarHBondContact O-N 3.41Å; W227-I230 PolarHBondContact O-N 3.48Å; W227-T231 VanDerWaalsContact CD1-OG1 3.24Å; W227-T231 PolarHBondContact NE1-OG1 3.35Å; W227-T231 VanDerWaalsContact O-CB 3.29Å; W227-T231 WeakPolarHBondContact O-CB 3.49Å; W227-T231 PolarHBondContact O-N 3.4Å; W227-T231 PolarHBondContact O-OG1 2.88Å
228A97.9Very high94.1Very high5 Ų559.8 Ų59.84%0.04134%0.344CS..Hα-helixtrans-60.3-40.917500000111.7F173 V176 V177 M224 G225 T231 A232F173-A228 HydrophobicContact CB-CB 3.8Å; F173-A228 HydrophobicContact CD1-CB 3.96Å; F173-A228 HydrophobicContact CG-CB 4.16Å; V176-A228 HydrophobicContact CB-CB 4.14Å; V176-A228 HydrophobicContact CG1-CB 4.14Å; V177-A228 HydrophobicContact CG2-CB 4.18Å; M224-A228 WeakPolarHBondContact O-CB 3.47Å; M224-A228 PolarHBondContact O-N 3.49Å; G225-A228 PolarHBondContact O-N 2.91Å; A228-T231 PolarHBondContact O-N 2.86Å; A228-A232 WeakPolarHBondContact O-CB 3.09Å; A228-A232 PolarHBondContact O-N 3.12Å
229F96.2Very high93.3Very high78 Ų7859.8 Ų59.834%0.34235%0.348SS..Hα-helixtrans-60.4-48.9175.5178.3-104.1000112.2G225 L226 W227 T231 A232 G233 G234 I239G225-F229 WeakPolarHBondContact O-CB 3.47Å; G225-F229 PolarHBondContact O-N 3.38Å; L226-F229 PolarHBondContact O-N 3.48Å; W227-F229 VanDerWaalsContact C-N 3.3Å; W227-F229 PolarHBondContact O-N 3.41Å; F229-T231 VanDerWaalsContact C-N 3.34Å; F229-T231 PolarHBondContact O-N 3.24Å; F229-A232 PolarHBondContact O-N 2.91Å; F229-G233 PolarHBondContact O-N 2.72Å; F229-G234 VanDerWaalsContact CE1-C 3.43Å; F229-G234 VanDerWaalsContact CE1-CA 3.49Å; F229-G234 VanDerWaalsContact CZ-CA 3.46Å; F229-G234 VanDerWaalsContact O-CA 3.32Å; F229-G234 WeakPolarHBondContact O-CA 3.36Å; F229-G234 PolarHBondContact O-N 2.89Å; F229-I239 HydrophobicContact CE1-CD1 3.99Å; F229-I239 HydrophobicContact CE1-CG1 4.18Å; F229-I239 HydrophobicContact CZ-CD1 3.91Å; F229-I239 HydrophobicContact CZ-CG1 3.65Å
230I95.6Very high92.6Very high99 Ų9962.8 Ų62.851%0.50835%0.352SS..Hα-helixtrans-62.7-43.1176.5-66.4165.1000110.7L226 W227 A232 G233L226-I230 HydrophobicContact CD1-CD1 4.16Å; L226-I230 HydrophobicContact CD1-CG1 4.46Å; L226-I230 HydrophobicContact CG-CD1 4.1Å; L226-I230 WeakPolarHBondContact O-CG1 3.41Å; L226-I230 PolarHBondContact O-N 2.97Å; W227-I230 PolarHBondContact O-N 3.48Å; I230-A232 VanDerWaalsContact C-N 3.27Å; I230-A232 PolarHBondContact O-N 3.38Å; I230-G233 WeakPolarHBondContact O-CA 3.14Å; I230-G233 PolarHBondContact O-N 3.43Å
231T94.8Very high91.7Very high20 Ų2069.6 Ų69.612%0.12338%0.375CS..Hα-helixtrans-61.8-36.5178.9-590000111.7V176 D180 W227 A228 F229 G233V176-T231 HydrophobicContact CG1-CG2 4.39Å; D180-T231 HydrophobicContact CB-CG2 3.36Å; D180-T231 WeakPolarHBondContact OD1-CG2 3.47Å; W227-T231 VanDerWaalsContact CD1-OG1 3.24Å; W227-T231 PolarHBondContact NE1-OG1 3.35Å; W227-T231 VanDerWaalsContact O-CB 3.29Å; W227-T231 WeakPolarHBondContact O-CB 3.49Å; W227-T231 PolarHBondContact O-N 3.4Å; W227-T231 PolarHBondContact O-OG1 2.88Å; A228-T231 PolarHBondContact O-N 2.86Å; F229-T231 VanDerWaalsContact C-N 3.34Å; F229-T231 PolarHBondContact O-N 3.24Å; T231-G233 PolarHBondContact O-N 3.02Å
232A92.3Very high90.8Very high30 Ų3073.1 Ų73.125%0.24840%0.4CS..THydrogen-bonded Turntrans-71.6-2.2173.900000113.7R115 A228 F229 I230R115-A232 PolarHBondContact NH1-O 2.98Å; A228-A232 WeakPolarHBondContact O-CB 3.09Å; A228-A232 PolarHBondContact O-N 3.12Å; F229-A232 PolarHBondContact O-N 2.91Å; I230-A232 VanDerWaalsContact C-N 3.27Å; I230-A232 PolarHBondContact O-N 3.38Å
233G89.8Confident90Very high61 Ų6174.8 Ų74.863%0.62940%0.404SS*.THydrogen-bonded Turntrans89.812.4-17700000114.2F229 I230 T231F229-G233 PolarHBondContact O-N 2.72Å; I230-G233 WeakPolarHBondContact O-CA 3.14Å; I230-G233 PolarHBondContact O-N 3.43Å; T231-G233 PolarHBondContact O-N 3.02Å
234G88.2Confident89.3Confident13 Ų1376.8 Ų76.813%0.13441%0.408CS..  trans-67.1145.6172.400000112F229F229-G234 VanDerWaalsContact CE1-C 3.43Å; F229-G234 VanDerWaalsContact CE1-CA 3.49Å; F229-G234 VanDerWaalsContact CZ-CA 3.46Å; F229-G234 VanDerWaalsContact O-CA 3.32Å; F229-G234 WeakPolarHBondContact O-CA 3.36Å; F229-G234 PolarHBondContact O-N 2.89Å
235S88.5Confident87.8Confident54 Ų5481.4 Ų81.438%0.37844%0.44SS..  trans-148164.9174.261.70000110.2R237 S238 I239S235-R237 PolarHBondContact O-N 3.2Å; S235-R237 VanDerWaalsContact O-N 3.15Å; S235-S238 PolarHBondContact N-OG 3.37Å; S235-S238 PolarHBondContact O-N 3.48Å; S235-S238 PolarHBondContact O-OG 2.93Å; S235-S238 PolarHBondContact OG-N 2.84Å; S235-I239 PolarHBondContact O-N 3.04Å; S235-I239 VanDerWaalsContact O-N 3.14Å
236L85.3Confident85.6Confident140 Ų14090.6 Ų90.673%0.73347%0.47SS*.Hα-helixtrans-55.3-34.5173.2-68174.1000111.9I239 Q240L236-I239 PolarHBondContact O-N 3.46Å; L236-Q240 WeakPolarHBondContact O-CG 3.33Å; L236-Q240 PolarHBondContact O-N 3.45Å
237R83Confident83.3Confident183 Ų18396.3 Ų96.369%0.69149%0.485SS*.Hα-helixtrans-65.5-35.7174.3-64.2-179.7-175.5170.21112.3S235 Q240 R241S235-R237 PolarHBondContact O-N 3.2Å; S235-R237 VanDerWaalsContact O-N 3.15Å; R237-Q240 PolarHBondContact O-N 3.44Å; R237-R241 WeakPolarHBondContact O-CB 3.35Å; R237-R241 VanDerWaalsContact O-CG 3.25Å; R237-R241 WeakPolarHBondContact O-CG 3.23Å; R237-R241 PolarHBondContact O-N 3Å
238S81.3Confident81.1Confident43 Ų43101.6 Ų101.630%0.30151%0.512SS..Hα-helixtrans-69.2-37.3176.972.20000111.5S235 R241 S242S235-S238 PolarHBondContact N-OG 3.37Å; S235-S238 PolarHBondContact O-N 3.48Å; S235-S238 PolarHBondContact O-OG 2.93Å; S235-S238 PolarHBondContact OG-N 2.84Å; S238-R241 PolarHBondContact O-N 3.26Å; S238-S242 PolarHBondContact O-N 3.27Å; S238-S242 PolarHBondContact O-OG 2.77Å
239I82.3Confident78.7Confident68 Ų68108 Ų10835%0.34954%0.541SS..Hα-helixtrans-64.6-47.8173.6-59.3176000110.3F229 S235 L236 R241 S242 L243F229-I239 HydrophobicContact CE1-CD1 3.99Å; F229-I239 HydrophobicContact CE1-CG1 4.18Å; F229-I239 HydrophobicContact CZ-CD1 3.91Å; F229-I239 HydrophobicContact CZ-CG1 3.65Å; S235-I239 PolarHBondContact O-N 3.04Å; S235-I239 VanDerWaalsContact O-N 3.14Å; L236-I239 PolarHBondContact O-N 3.46Å; I239-R241 VanDerWaalsContact C-N 3.29Å; I239-R241 PolarHBondContact O-N 3.3Å; I239-S242 PolarHBondContact O-N 3.14Å; I239-S242 PolarHBondContact O-OG 3.22Å; I239-L243 HydrophobicContact CG2-CD1 3.86Å; I239-L243 HydrophobicContact CG2-CG 4.31Å; I239-L243 WeakPolarHBondContact O-CB 3.46Å; I239-L243 WeakPolarHBondContact O-CG 3.32Å; I239-L243 PolarHBondContact O-N 3.29Å
240Q82.7Confident76.4Confident118 Ų118108.1 Ų108.155%0.55155%0.545SS*.Hα-helixtrans-57.6-43.7175.5-74.5175.3-16.800111.3L236 R237 L243 L244L236-Q240 WeakPolarHBondContact O-CG 3.33Å; L236-Q240 PolarHBondContact O-N 3.45Å; R237-Q240 PolarHBondContact O-N 3.44Å; Q240-L243 PolarHBondContact O-N 3.12Å; Q240-L244 HydrophobicContact CB-CD1 4.41Å; Q240-L244 WeakPolarHBondContact O-CB 3.46Å; Q240-L244 VanDerWaalsContact O-CD1 3.31Å; Q240-L244 WeakPolarHBondContact O-CD1 3.29Å; Q240-L244 WeakPolarHBondContact O-CG 3.41Å; Q240-L244 PolarHBondContact O-N 3.34Å
241R79.5Confident74.4Confident174 Ų174107.7 Ų107.766%0.65755%0.551SS**Hα-helixtrans-63.3-41.1177.2-75.9175.1-173.6-175.60.6113.1R237 S238 I239 C245 R246R237-R241 WeakPolarHBondContact O-CB 3.35Å; R237-R241 VanDerWaalsContact O-CG 3.25Å; R237-R241 WeakPolarHBondContact O-CG 3.23Å; R237-R241 PolarHBondContact O-N 3Å; S238-R241 PolarHBondContact O-N 3.26Å; I239-R241 VanDerWaalsContact C-N 3.29Å; I239-R241 PolarHBondContact O-N 3.3Å; R241-C245 PolarHBondContact O-N 3.16Å; R241-R246 PolarHBondContact O-N 2.64Å
242S80.5Confident72.3Confident80 Ų80115.9 Ų115.956%0.55958%0.58SS**Hα-helixtrans-67.6-42.2177.765.10000111.6S238 I239 C245S238-S242 PolarHBondContact O-N 3.27Å; S238-S242 PolarHBondContact O-OG 2.77Å; I239-S242 PolarHBondContact O-N 3.14Å; I239-S242 PolarHBondContact O-OG 3.22Å; S242-C245 PolarHBondContact O-N 3.4Å
243L81.9Confident70.5Confident138 Ų138118.8 Ų118.872%0.72359%0.594SS**Hα-helixtrans-66.3-40.4176.8-69.8174.2000112.1I239 Q240 C245I239-L243 HydrophobicContact CG2-CD1 3.86Å; I239-L243 HydrophobicContact CG2-CG 4.31Å; I239-L243 WeakPolarHBondContact O-CB 3.46Å; I239-L243 WeakPolarHBondContact O-CG 3.32Å; I239-L243 PolarHBondContact O-N 3.29Å; Q240-L243 PolarHBondContact O-N 3.12Å; L243-C245 PolarHBondContact O-N 2.94Å
244L82.8Confident68.8Low122 Ų122121.1 Ų121.164%0.63959%0.59SS**THydrogen-bonded Turntrans-73.3-4.7177.8-71.9163.4000113Q240 R246Q240-L244 HydrophobicContact CB-CD1 4.41Å; Q240-L244 WeakPolarHBondContact O-CB 3.46Å; Q240-L244 VanDerWaalsContact O-CD1 3.31Å; Q240-L244 WeakPolarHBondContact O-CD1 3.29Å; Q240-L244 WeakPolarHBondContact O-CG 3.41Å; Q240-L244 PolarHBondContact O-N 3.34Å; L244-R246 HydrophobicContact CB-CB 4.31Å; L244-R246 PolarHBondContact O-N 3.42Å
245C67.5Low67.2Low109 Ų109124.5 Ų124.574%0.73661%0.608SS**THydrogen-bonded Turntrans40.935.3-171.2-74.90000112.1R241 S242 L243 R247R241-C245 PolarHBondContact O-N 3.16Å; S242-C245 PolarHBondContact O-N 3.4Å; L243-C245 PolarHBondContact O-N 2.94Å; C245-R247 PolarHBondContact O-N 2.81Å
246R51.8Low65.4Low206 Ų206130.1 Ų130.178%0.77762%0.622SS**  trans-75.385.5-175.7-132-174.8-165.6-169.24.6106.1R241 L244 Q248R241-R246 PolarHBondContact O-N 2.64Å; L244-R246 HydrophobicContact CB-CB 4.31Å; L244-R246 PolarHBondContact O-N 3.42Å; R246-Q248 PolarHBondContact O-N 3.16Å
247R50.6Low64.3Low226 Ų226127.4 Ų127.485%0.85361%0.614SS**  trans-49.8125.9171.7-153.4175.7-157.3175.55105.3C245 E249C245-R247 PolarHBondContact O-N 2.81Å; R247-E249 PolarHBondContact O-N 3.45Å
248Q49.8Very low63Low166 Ų166122.9 Ų122.978%0.77662%0.616SS**  trans-59.398.4164.1-175.1172.4-27.900104.7R246 D250R246-Q248 PolarHBondContact O-N 3.16Å; Q248-D250 PolarHBondContact O-N 2.84Å
249E48.4Very low61.9Low140 Ų140126.6 Ų126.665%0.65463%0.632SS**  trans-59.698.5161.4-77.8178.6163.200104.1R247 S251 M254R247-E249 PolarHBondContact O-N 3.45Å; E249-S251 PolarHBondContact O-N 2.87Å; E249-M254 HydrophobicContact CB-CE 4.08Å; E249-M254 WeakPolarHBondContact OE2-CE 3.47Å
250D48.6Very low60.6Low80 Ų80133.3 Ų133.343%0.42865%0.653SS.*  trans-58.4106.7179.3-152.39.1000105.3Q248 R252 V253 M254Q248-D250 PolarHBondContact O-N 2.84Å; D250-R252 PolarHBondContact O-N 3.2Å; D250-V253 HydrophobicContact CB-CG2 4.04Å; D250-V253 PolarHBondContact O-N 3.1Å; D250-M254 PolarHBondContact O-N 3.25Å
251S52.4Low59.6Low91 Ų91134.8 Ų134.864%0.63666%0.663SS**Hα-helixtrans-58.2-20.3-173.2-44.40000110.8E249 M254 V255E249-S251 PolarHBondContact O-N 2.87Å; S251-M254 PolarHBondContact O-N 3.29Å; S251-V255 VanDerWaalsContact O-CG2 3.3Å; S251-V255 WeakPolarHBondContact O-CG2 3.43Å; S251-V255 PolarHBondContact O-N 2.8Å; S251-V255 VanDerWaalsContact O-N 3.09Å
252R50.3Low58.6Low192 Ų192131.1 Ų131.173%0.72566%0.662SS**Hα-helixtrans-62.5-42.5169.3-67-173.6-176.8-161.21113.2D250 M254 V255 Y256D250-R252 PolarHBondContact O-N 3.2Å; R252-M254 VanDerWaalsContact C-N 3.35Å; R252-V255 PolarHBondContact O-N 3.31Å; R252-Y256 WeakPolarHBondContact O-CD2 3.07Å; R252-Y256 PolarHBondContact O-N 2.83Å; R252-Y256 VanDerWaalsContact O-N 3.08Å
253V54.9Low57.5Low90 Ų90132.8 Ų132.855%0.54567%0.671SS.*Hα-helixtrans-67-37.3178.31770000110.9D250 Y256 S257D250-V253 HydrophobicContact CB-CG2 4.04Å; D250-V253 PolarHBondContact O-N 3.1Å; V253-Y256 PolarHBondContact O-N 3.49Å; V253-S257 PolarHBondContact O-N 3.14Å
254M53.7Low56.3Low110 Ų110135.2 Ų135.254%0.54268%0.678SS.*Hα-helixtrans-65.7-40.2173.6-97.1-157.6-96.200112.7E249 D250 S251 R252 Y256 S257 A258E249-M254 HydrophobicContact CB-CE 4.08Å; E249-M254 WeakPolarHBondContact OE2-CE 3.47Å; D250-M254 PolarHBondContact O-N 3.25Å; S251-M254 PolarHBondContact O-N 3.29Å; R252-M254 VanDerWaalsContact C-N 3.35Å; M254-Y256 VanDerWaalsContact C-N 3.32Å; M254-Y256 PolarHBondContact O-N 3.3Å; M254-S257 PolarHBondContact O-N 2.94Å; M254-A258 WeakPolarHBondContact O-CB 3.49Å; M254-A258 PolarHBondContact O-N 2.88Å
255V54.6Low55.3Low84 Ų84140.3 Ų140.351%0.50971%0.707SS.*Hα-helixtrans-62.1-40.2175.7173.30000111S251 R252 A258 L259S251-V255 VanDerWaalsContact O-CG2 3.3Å; S251-V255 WeakPolarHBondContact O-CG2 3.43Å; S251-V255 PolarHBondContact O-N 2.8Å; S251-V255 VanDerWaalsContact O-N 3.09Å; R252-V255 PolarHBondContact O-N 3.31Å; V255-A258 PolarHBondContact O-N 2.91Å; V255-L259 HydrophobicContact CG1-CD1 3.89Å; V255-L259 HydrophobicContact CG1-CG 4.47Å; V255-L259 WeakPolarHBondContact O-CB 3.48Å; V255-L259 VanDerWaalsContact O-CG 3.29Å; V255-L259 WeakPolarHBondContact O-CG 3.13Å; V255-L259 PolarHBondContact O-N 3.16Å; V255-L259 VanDerWaalsContact O-N 3.09Å
256Y52.4Low54.7Low173 Ų173141.9 Ų141.968%0.67871%0.705SS**Hα-helixtrans-68.2-36176.3-82.7-72.1000113.9R252 V253 M254 L259R252-Y256 WeakPolarHBondContact O-CD2 3.07Å; R252-Y256 PolarHBondContact O-N 2.83Å; R252-Y256 VanDerWaalsContact O-N 3.08Å; V253-Y256 PolarHBondContact O-N 3.49Å; M254-Y256 VanDerWaalsContact C-N 3.32Å; M254-Y256 PolarHBondContact O-N 3.3Å; Y256-L259 PolarHBondContact O-N 3.27Å
257S60.5Low54.8Low82 Ų82138.5 Ų138.557%0.57370%0.701SS**Hα-helixtrans-70.4-35174.7-77.60000112.6V253 M254 L259 R260V253-S257 PolarHBondContact O-N 3.14Å; M254-S257 PolarHBondContact O-N 2.94Å; S257-L259 VanDerWaalsContact C-N 3.32Å; S257-R260 PolarHBondContact O-N 3.16Å
258A57.4Low55.1Low88 Ų88133.7 Ų133.773%0.72769%0.693SS**Hα-helixtrans-72.5-24.5176.600000113.2M254 V255M254-A258 WeakPolarHBondContact O-CB 3.49Å; M254-A258 PolarHBondContact O-N 2.88Å; V255-A258 PolarHBondContact O-N 2.91Å
259L58.5Low55.4Low122 Ų122131.8 Ų131.864%0.63969%0.688SS**THydrogen-bonded Turntrans-86.50.4176.4-71.2173.4000114V255 Y256 S257 I261V255-L259 HydrophobicContact CG1-CD1 3.89Å; V255-L259 HydrophobicContact CG1-CG 4.47Å; V255-L259 WeakPolarHBondContact O-CB 3.48Å; V255-L259 VanDerWaalsContact O-CG 3.29Å; V255-L259 WeakPolarHBondContact O-CG 3.13Å; V255-L259 PolarHBondContact O-N 3.16Å; V255-L259 VanDerWaalsContact O-N 3.09Å; Y256-L259 PolarHBondContact O-N 3.27Å; S257-L259 VanDerWaalsContact C-N 3.32Å; L259-I261 VanDerWaalsContact C-N 3.26Å; L259-I261 PolarHBondContact O-N 3.34Å
260R53.4Low55.8Low209 Ų209131.3 Ų131.379%0.78969%0.69SS**  trans-70.291.8165.7-76.1-167.6-173.2-157.51.9108.5S257S257-R260 PolarHBondContact O-N 3.16Å
261I61.3Low56.3Low148 Ų148134.7 Ų134.776%0.75971%0.708SS**PPolyproline II helixtrans-54.5125.9160.2-56.7172.1000106L259L259-I261 VanDerWaalsContact C-N 3.26Å; L259-I261 PolarHBondContact O-N 3.34Å
262P58.7Low56.6Low97 Ų97137.8 Ų137.863%0.6371%0.713SS**PPolyproline II helixtrans-59.2146.2178.123.1-31000109.9E264P262-E264 PolarHBondContact O-N 3.3Å
263P57.8Low57.1Low115 Ų115133.6 Ų133.675%0.74771%0.712SS**PPolyproline II helixtrans-59.9126.2177.824.9-31.5000109.4D265P263-D265 PolarHBondContact O-N 3.19Å
264E57.4Low57.2Low189 Ų189137.3 Ų137.388%0.88373%0.726SS**  trans-71.6106.8165.2-68.1-177.5158.200107.4P262P262-E264 PolarHBondContact O-N 3.3Å
265D61.2Low57.6Low230 Ų230139.7 Ų139.7100%1.2374%0.742SS**  trans-116.50154.9-72.1-30.6000108.1P263P263-D265 PolarHBondContact O-N 3.19Å

Retrieved 265 of 265 residues in 160.1 ms (Link to these results)

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