A0A2K5XQ94_MANLE Loading...

Probable G-protein coupled receptor 174

AlphaFold DB , UniProt , Accession A0A2K5XQ94, Species MANLE (Mandrillus leucophaeus, Drill), Gene GPR174, Length 333 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
1M29.3Very low47.6Very low233 Ų233109.6 Ų109.6100%1.14864%0.635SS**  0113.50-66.8173.4179.300107.4A3M1-A3 PolarHBondContact O-N 3.08Å
2P35.8Very low48.3Very low133 Ų133103.8 Ų103.886%0.86462%0.616SS**  trans-69.9114.9173.428.3-28.4000107.5N4P2-N4 PolarHBondContact O-N 3.27Å
3A37.7Very low49.3Very low54 Ų54102.2 Ų102.245%0.44660%0.603SS.*  trans-62.7122172.800000108.3M1 Y5M1-A3 PolarHBondContact O-N 3.08Å; A3-Y5 VanDerWaalsContact C-N 3.33Å; A3-Y5 HydrophobicContact CB-CD1 4.5Å; A3-Y5 HydrophobicContact CB-CD2 4.31Å; A3-Y5 HydrophobicContact CB-CE1 3.94Å; A3-Y5 HydrophobicContact CB-CE2 3.7Å; A3-Y5 VanDerWaalsContact CB-CZ 3.5Å; A3-Y5 WeakPolarHBondContact O-CD2 3.36Å; A3-Y5 WeakPolarHBondContact O-CE2 3.32Å; A3-Y5 PolarHBondContact O-N 3.44Å
4N39.8Very low50.9Low148 Ų14896.6 Ų96.679%0.79157%0.569SS**  trans-76.387.1176.7-139.54.9000106.9P2 T6P2-N4 PolarHBondContact O-N 3.27Å; N4-T6 PolarHBondContact O-N 3.11Å
5Y49.7Very low52.7Low146 Ų14693.3 Ų93.357%0.57355%0.55SS*.  trans-76.374.8176.3-53.8-82.4000108.9A3 C7A3-Y5 VanDerWaalsContact C-N 3.33Å; A3-Y5 HydrophobicContact CB-CD1 4.5Å; A3-Y5 HydrophobicContact CB-CD2 4.31Å; A3-Y5 HydrophobicContact CB-CE1 3.94Å; A3-Y5 HydrophobicContact CB-CE2 3.7Å; A3-Y5 VanDerWaalsContact CB-CZ 3.5Å; A3-Y5 WeakPolarHBondContact O-CD2 3.36Å; A3-Y5 WeakPolarHBondContact O-CE2 3.32Å; A3-Y5 PolarHBondContact O-N 3.44Å; Y5-C7 PolarHBondContact O-N 2.95Å; Y5-C7 VanDerWaalsContact O-N 3.16Å
6T55.9Low54.6Low98 Ų9893.4 Ų93.460%0.60155%0.547SS*.  trans-71.1106.4167.439.60000107.5N4 T8N4-T6 PolarHBondContact O-N 3.11Å; T6-T8 PolarHBondContact O-N 2.71Å
7C64.1Low56.5Low28 Ų2892.5 Ų92.519%0.18954%0.535CS..  trans-66.289.7168.6-74.70000107.9Y5 G9 C264Y5-C7 PolarHBondContact O-N 2.95Å; Y5-C7 VanDerWaalsContact O-N 3.16Å; C7-G9 PolarHBondContact O-N 3.04Å; C7-C264 VanDerWaalsContact CA-SG 3.53Å; C7-C264 HydrophobicContact CB-CB 3.84Å; C7-C264 WeakPolarHBondContact CB-SG 3.43Å; C7-C264 WeakPolarHBondContact SG-CA 3.17Å; C7-C264 WeakPolarHBondContact SG-CB 3.31Å; C7-C264 CovalentContact SG-SG 2.05Å; C7-C264 PolarHBondContact SG-SG 3.07Å
8T52.3Low58.4Low133 Ų13389.3 Ų89.382%0.81651%0.513SS*.  trans-75.652.9176.448.30000111.4T6T6-T8 PolarHBondContact O-N 2.71Å
9G55.8Low60.2Low43 Ų4385.6 Ų85.644%0.44349%0.49SS..SBendtrans-83172155.100000109.3C7 D11C7-G9 PolarHBondContact O-N 3.04Å; G9-D11 PolarHBondContact O-N 3.19Å
10P50.7Low61.8Low81 Ų8188.5 Ų88.553%0.52650%0.497SS..  trans-69.288.1172.829.5-31000108.4G12 D13P10-G12 PolarHBondContact O-N 3.45Å; P10-G12 VanDerWaalsContact O-N 3.08Å; P10-D13 HydrophobicContact CB-CB 3.86Å; P10-D13 HydrophobicContact CG-CB 3.75Å; P10-D13 WeakPolarHBondContact O-CB 3.31Å; P10-D13 PolarHBondContact O-N 3.36Å
11D52.6Low63.4Low109 Ų10985.8 Ų85.858%0.58348%0.481SS*.Hα-helixtrans-56.7-23175.6-73.7-34.8000111.8G9 T15G9-D11 PolarHBondContact O-N 3.19Å; D11-T15 PolarHBondContact O-OG1 3.38Å
12G56.4Low66.5Low40 Ų4074.7 Ų74.741%0.41243%0.426SS..Hα-helixtrans-63.9-43.8169.500000113.9P10 N14 T15 D16P10-G12 PolarHBondContact O-N 3.45Å; P10-G12 VanDerWaalsContact O-N 3.08Å; G12-N14 VanDerWaalsContact C-N 3.35Å; G12-N14 PolarHBondContact O-N 2.9Å; G12-T15 PolarHBondContact O-N 3.22Å; G12-D16 VanDerWaalsContact O-CG 3.29Å; G12-D16 PolarHBondContact O-N 3.17Å
13D61.6Low69.4Low83 Ų8368.6 Ų68.644%0.44439%0.387SS..Hα-helixtrans-63-38.7-174.8-172.834.9000112.1P10 F17 R268P10-D13 HydrophobicContact CB-CB 3.86Å; P10-D13 HydrophobicContact CG-CB 3.75Å; P10-D13 WeakPolarHBondContact O-CB 3.31Å; P10-D13 PolarHBondContact O-N 3.36Å; D13-F17 VanDerWaalsContact O-CB 3.27Å; D13-F17 WeakPolarHBondContact O-CB 3.43Å; D13-F17 PolarHBondContact O-N 3.43Å; D13-F17 VanDerWaalsContact O-N 3.08Å; D13-R268 IonicContact OD2-CZ 3.41Å; D13-R268 IonicContact OD2-NH2 3.62Å; D13-R268 PolarHBondContact OD2-NH2 2.92Å
14N71.1Confident72.1Confident23 Ų2369.1 Ų69.112%0.12338%0.384CS..Hα-helixtrans-73.4-30.1176.5-68.2-28.2000112.7G12 R18 R268G12-N14 VanDerWaalsContact C-N 3.35Å; G12-N14 PolarHBondContact O-N 2.9Å; N14-R18 WeakPolarHBondContact O-CB 3.3Å; N14-R18 WeakPolarHBondContact O-CD 3.42Å; N14-R18 WeakPolarHBondContact O-CG 3.32Å; N14-R18 PolarHBondContact O-N 3.27Å; N14-R18 VanDerWaalsContact O-N 3.15Å; N14-R268 PolarHBondContact OD1-NE 2.98Å; N14-R268 PolarHBondContact OD1-NH2 3.32Å
15T77.7Confident74.8Confident47 Ų4763.1 Ų63.129%0.28835%0.353SS..Hα-helixtrans-74.5-45.7179.4-55.70000110D11 G12 F17 R18 Y19D11-T15 PolarHBondContact O-OG1 3.38Å; G12-T15 PolarHBondContact O-N 3.22Å; T15-F17 PolarHBondContact O-N 2.79Å; T15-R18 WeakPolarHBondContact O-CB 3.34Å; T15-R18 PolarHBondContact O-N 2.88Å; T15-R18 VanDerWaalsContact O-N 3.15Å; T15-Y19 HydrophobicContact CG2-CD2 4Å; T15-Y19 HydrophobicContact CG2-CE2 3.72Å; T15-Y19 WeakPolarHBondContact O-CD2 3.3Å; T15-Y19 PolarHBondContact O-N 2.88Å
16D82.9Confident77.1Confident95 Ų9556.2 Ų56.251%0.50833%0.326SS..Hα-helixtrans-62.1-43.7176.8-64.2-21.2000111.2G12 R18 Y19 F20G12-D16 VanDerWaalsContact O-CG 3.29Å; G12-D16 PolarHBondContact O-N 3.17Å; D16-R18 VanDerWaalsContact C-N 3.35Å; D16-R18 PolarHBondContact O-N 2.93Å; D16-Y19 PolarHBondContact O-N 3.23Å; D16-F20 VanDerWaalsContact O-CB 3.32Å; D16-F20 WeakPolarHBondContact O-CB 3.34Å; D16-F20 PolarHBondContact O-N 3.24Å
17F87.7Confident79Confident79 Ų7955 Ų5535%0.34632%0.319SS..Hα-helixtrans-58.1-44.5173.5176.1-96.7000112.6D13 T15 F20 I21 I272D13-F17 VanDerWaalsContact O-CB 3.27Å; D13-F17 WeakPolarHBondContact O-CB 3.43Å; D13-F17 PolarHBondContact O-N 3.43Å; D13-F17 VanDerWaalsContact O-N 3.08Å; T15-F17 PolarHBondContact O-N 2.79Å; F17-F20 PolarHBondContact O-N 3.46Å; F17-I21 HydrophobicContact CE1-CD1 4.39Å; F17-I21 HydrophobicContact CE1-CG2 4.44Å; F17-I21 HydrophobicContact CZ-CD1 4.05Å; F17-I21 WeakPolarHBondContact O-CG2 3.16Å; F17-I21 PolarHBondContact O-N 3.43Å; F17-I272 HydrophobicContact CD1-CG1 4.41Å; F17-I272 HydrophobicContact CE1-CG1 4.41Å; F17-I272 HydrophobicContact CE1-CG2 3.92Å; F17-I272 HydrophobicContact CZ-CG2 4.43Å
18R89.9Confident80.5Confident34 Ų3458.1 Ų58.113%0.12834%0.337CS..Hα-helixtrans-62.9-44178.7-81.2170.753.5-139.6-9.9111.9N14 T15 D16 I21 Y22 D171 S275N14-R18 WeakPolarHBondContact O-CB 3.3Å; N14-R18 WeakPolarHBondContact O-CD 3.42Å; N14-R18 WeakPolarHBondContact O-CG 3.32Å; N14-R18 PolarHBondContact O-N 3.27Å; N14-R18 VanDerWaalsContact O-N 3.15Å; T15-R18 WeakPolarHBondContact O-CB 3.34Å; T15-R18 PolarHBondContact O-N 2.88Å; T15-R18 VanDerWaalsContact O-N 3.15Å; D16-R18 VanDerWaalsContact C-N 3.35Å; D16-R18 PolarHBondContact O-N 2.93Å; R18-I21 WeakPolarHBondContact O-CG2 3.46Å; R18-Y22 HydrophobicContact CB-CE2 4.31Å; R18-Y22 WeakPolarHBondContact O-CB 3.25Å; R18-Y22 WeakPolarHBondContact O-CD2 3.48Å; R18-Y22 VanDerWaalsContact O-CG 3.25Å; R18-Y22 PolarHBondContact O-N 2.88Å; R18-Y22 VanDerWaalsContact O-N 3.12Å; R18-D171 IonicContact NH2-OD1 3.86Å; R18-S275 WeakPolarHBondContact CD-OG 3.37Å; R18-S275 VanDerWaalsContact CG-OG 3.3Å; R18-S275 WeakPolarHBondContact CG-OG 3.47Å
19Y92.3Very high82.6Confident20 Ų2051.9 Ų51.98%0.07830%0.298CS..Hα-helixtrans-65.2-46.5178.7-84.5-126000110.6T15 D16 I21 Y22 A23 Y78 Y79 H82 D171T15-Y19 HydrophobicContact CG2-CD2 4Å; T15-Y19 HydrophobicContact CG2-CE2 3.72Å; T15-Y19 WeakPolarHBondContact O-CD2 3.3Å; T15-Y19 PolarHBondContact O-N 2.88Å; D16-Y19 PolarHBondContact O-N 3.23Å; Y19-I21 PolarHBondContact O-N 3.49Å; Y19-Y22 PolarHBondContact O-N 2.86Å; Y19-A23 WeakPolarHBondContact O-CB 3.07Å; Y19-A23 PolarHBondContact O-N 3.5Å; Y19-Y78 HydrophobicContact CE1-CE1 4.21Å; Y19-Y78 PolarHBondContact OH-OH 3.11Å; Y19-Y78 VanDerWaalsContact OH-OH 3.12Å; Y19-Y79 AromaticContact CD1-CD1 3.89Å; Y19-Y79 HydrophobicContact CD1-CD1 3.89Å; Y19-Y79 WeakPolarHBondContact CD1-O 3.35Å; Y19-Y79 HydrophobicContact CD2-CD1 4.18Å; Y19-Y79 HydrophobicContact CE1-CD1 4.23Å; Y19-Y79 AromaticContact CG-CD1 3.87Å; Y19-Y79 HydrophobicContact CG-CD1 3.87Å; Y19-H82 AromaticContact CD1-CE1 3.31Å; Y19-H82 WeakPolarHBondContact CD1-CE1 3.48Å; Y19-H82 AromaticContact CD1-ND1 3.22Å; Y19-H82 WeakPolarHBondContact CD1-ND1 3.27Å; Y19-H82 HydrophobicContact CE1-CB 4.36Å; Y19-H82 AromaticContact CE1-CE1 3.81Å; Y19-H82 AromaticContact CE1-CG 3.91Å; Y19-H82 AromaticContact CE1-ND1 3.21Å; Y19-H82 WeakPolarHBondContact CE1-ND1 3.34Å; Y19-H82 AromaticContact CG-CE1 3.89Å; Y19-D171 PolarHBondContact OH-OD2 3.39Å
20F92.7Very high84.6Confident143 Ų14352 Ų5263%0.62729%0.288SS*.Hα-helixtrans-57.6-51.5177.2179.7-102.3000112.3D16 F17 Y22 A23 V24D16-F20 VanDerWaalsContact O-CB 3.32Å; D16-F20 WeakPolarHBondContact O-CB 3.34Å; D16-F20 PolarHBondContact O-N 3.24Å; F17-F20 PolarHBondContact O-N 3.46Å; F20-Y22 VanDerWaalsContact C-N 3.34Å; F20-Y22 PolarHBondContact O-N 3.47Å; F20-A23 PolarHBondContact O-N 3.09Å; F20-V24 HydrophobicContact CD1-CG2 4.42Å; F20-V24 HydrophobicContact CD2-CG2 4.21Å; F20-V24 HydrophobicContact CE1-CG2 4.06Å; F20-V24 HydrophobicContact CE2-CG2 3.84Å; F20-V24 HydrophobicContact CG-CG2 4.49Å; F20-V24 HydrophobicContact CZ-CG2 3.76Å; F20-V24 WeakPolarHBondContact O-CB 3.37Å; F20-V24 WeakPolarHBondContact O-CG2 3.42Å; F20-V24 PolarHBondContact O-N 3.19Å
21I94.9Very high86.7Confident32 Ų3252.2 Ų52.216%0.16429%0.288CS..Hα-helixtrans-65.6-36.5-177.8-161.6172.3000112.2F17 R18 Y19 T25 V276F17-I21 HydrophobicContact CE1-CD1 4.39Å; F17-I21 HydrophobicContact CE1-CG2 4.44Å; F17-I21 HydrophobicContact CZ-CD1 4.05Å; F17-I21 WeakPolarHBondContact O-CG2 3.16Å; F17-I21 PolarHBondContact O-N 3.43Å; R18-I21 WeakPolarHBondContact O-CG2 3.46Å; Y19-I21 PolarHBondContact O-N 3.49Å; I21-T25 WeakPolarHBondContact O-CB 3.27Å; I21-T25 PolarHBondContact O-N 3.37Å; I21-T25 PolarHBondContact O-OG1 3.49Å; I21-V276 HydrophobicContact CD1-CG2 3.76Å
22Y95.4Very high88.6Confident0 Ų050.3 Ų50.30%028%0.282CS..Hα-helixtrans-66.3-46.9174.7-70-38.3000111.8R18 Y19 F20 T25 Y26 Y79 V170 S275 L278 C279R18-Y22 HydrophobicContact CB-CE2 4.31Å; R18-Y22 WeakPolarHBondContact O-CB 3.25Å; R18-Y22 WeakPolarHBondContact O-CD2 3.48Å; R18-Y22 VanDerWaalsContact O-CG 3.25Å; R18-Y22 PolarHBondContact O-N 2.88Å; R18-Y22 VanDerWaalsContact O-N 3.12Å; Y19-Y22 PolarHBondContact O-N 2.86Å; F20-Y22 VanDerWaalsContact C-N 3.34Å; F20-Y22 PolarHBondContact O-N 3.47Å; Y22-T25 PolarHBondContact O-N 3.37Å; Y22-Y26 HydrophobicContact CD1-CE2 4.41Å; Y22-Y26 HydrophobicContact CG-CE2 4.35Å; Y22-Y26 VanDerWaalsContact O-CB 3.29Å; Y22-Y26 WeakPolarHBondContact O-CB 3.27Å; Y22-Y26 VanDerWaalsContact O-CD2 3.25Å; Y22-Y26 WeakPolarHBondContact O-CD2 3.39Å; Y22-Y26 PolarHBondContact O-N 3.5Å; Y22-Y79 AromaticContact CD2-CD1 3.96Å; Y22-Y79 HydrophobicContact CD2-CD1 3.96Å; Y22-Y79 AromaticContact CD2-CE1 3.42Å; Y22-Y79 HydrophobicContact CD2-CE1 3.42Å; Y22-Y79 VanDerWaalsContact CD2-CE1 3.42Å; Y22-Y79 HydrophobicContact CD2-CE2 4.26Å; Y22-Y79 AromaticContact CD2-CZ 3.58Å; Y22-Y79 HydrophobicContact CE2-CE1 4.2Å; Y22-Y79 HydrophobicContact CG-CE1 4.19Å; Y22-Y79 HydrophobicContact CG-CE2 4.29Å; Y22-V170 HydrophobicContact CE2-CG1 4.26Å; Y22-S275 WeakPolarHBondContact OH-CA 3.17Å; Y22-S275 WeakPolarHBondContact OH-CB 3.26Å; Y22-S275 PolarHBondContact OH-OG 2.97Å; Y22-L278 HydrophobicContact CE1-CB 4.25Å; Y22-L278 HydrophobicContact CE1-CD2 3.87Å; Y22-L278 HydrophobicContact CE1-CG 4.45Å; Y22-C279 WeakPolarHBondContact CD1-SG 3.18Å
23A95.5Very high90.5Very high4 Ų448.4 Ų48.43%0.03326%0.262CS..Hα-helixtrans-59.9-48.7178.800000111.7Y19 F20 T27 L80Y19-A23 WeakPolarHBondContact O-CB 3.07Å; Y19-A23 PolarHBondContact O-N 3.5Å; F20-A23 PolarHBondContact O-N 3.09Å; A23-T27 WeakPolarHBondContact O-CB 3.25Å; A23-T27 PolarHBondContact O-N 2.8Å; A23-T27 PolarHBondContact O-OG1 3Å; A23-L80 HydrophobicContact CB-CD2 3.69Å; A23-L80 HydrophobicContact CB-CG 4.04Å
24V96.2Very high92.1Very high65 Ų6547.3 Ų47.339%0.39426%0.256SS..Hα-helixtrans-61.8-51.4178.3171.90000110.7F20 Y26 T27 V28F20-V24 HydrophobicContact CD1-CG2 4.42Å; F20-V24 HydrophobicContact CD2-CG2 4.21Å; F20-V24 HydrophobicContact CE1-CG2 4.06Å; F20-V24 HydrophobicContact CE2-CG2 3.84Å; F20-V24 HydrophobicContact CG-CG2 4.49Å; F20-V24 HydrophobicContact CZ-CG2 3.76Å; F20-V24 WeakPolarHBondContact O-CB 3.37Å; F20-V24 WeakPolarHBondContact O-CG2 3.42Å; F20-V24 PolarHBondContact O-N 3.19Å; V24-Y26 PolarHBondContact O-N 3.49Å; V24-T27 PolarHBondContact O-N 3.43Å; V24-V28 WeakPolarHBondContact O-CG2 3.18Å; V24-V28 PolarHBondContact O-N 2.98Å
25T96.1Very high93.2Very high22 Ų2251.3 Ų51.314%0.13528%0.276CS..Hα-helixtrans-62-47-176.8-58.80000111.4I21 Y22 T27 V28 I29 C279I21-T25 WeakPolarHBondContact O-CB 3.27Å; I21-T25 PolarHBondContact O-N 3.37Å; I21-T25 PolarHBondContact O-OG1 3.49Å; Y22-T25 PolarHBondContact O-N 3.37Å; T25-T27 VanDerWaalsContact C-N 3.3Å; T25-T27 PolarHBondContact O-N 2.97Å; T25-V28 PolarHBondContact O-N 3.11Å; T25-I29 HydrophobicContact CG2-CD1 3.61Å; T25-I29 HydrophobicContact CG2-CG1 4.34Å; T25-I29 VanDerWaalsContact O-CG1 3.28Å; T25-I29 WeakPolarHBondContact O-CG1 3.29Å; T25-I29 PolarHBondContact O-N 3.17Å; T25-C279 HydrophobicContact CG2-CB 3.8Å
26Y96.6Very high93.8Very high2 Ų249.8 Ų49.81%0.00827%0.27CS..Hα-helixtrans-66.5-33.7-179.4-64.2-22000112.4Y22 V24 I29 L30 L72 R75 Y79 S282Y22-Y26 HydrophobicContact CD1-CE2 4.41Å; Y22-Y26 HydrophobicContact CG-CE2 4.35Å; Y22-Y26 VanDerWaalsContact O-CB 3.29Å; Y22-Y26 WeakPolarHBondContact O-CB 3.27Å; Y22-Y26 VanDerWaalsContact O-CD2 3.25Å; Y22-Y26 WeakPolarHBondContact O-CD2 3.39Å; Y22-Y26 PolarHBondContact O-N 3.5Å; V24-Y26 PolarHBondContact O-N 3.49Å; Y26-I29 HydrophobicContact CD1-CD1 4.45Å; Y26-I29 PolarHBondContact O-N 3.13Å; Y26-L30 WeakPolarHBondContact O-CB 3.28Å; Y26-L30 PolarHBondContact O-N 3.37Å; Y26-L72 HydrophobicContact CD1-CD2 3.82Å; Y26-L72 HydrophobicContact CD2-CD2 4.37Å; Y26-L72 HydrophobicContact CE1-CD2 4.36Å; Y26-L72 HydrophobicContact CG-CD2 3.83Å; Y26-R75 HydrophobicContact CD2-CB 3.97Å; Y26-R75 HydrophobicContact CE2-CB 4.18Å; Y26-Y79 HydrophobicContact CD2-CD2 4.13Å; Y26-Y79 HydrophobicContact CD2-CE2 4.17Å; Y26-Y79 HydrophobicContact CE2-CD2 4Å; Y26-Y79 AromaticContact CE2-CE2 3.6Å; Y26-Y79 HydrophobicContact CE2-CE2 3.6Å; Y26-S282 WeakPolarHBondContact CE1-OG 3.19Å
27T96.3Very high94.4Very high72 Ų7245.2 Ų45.244%0.44225%0.245SC..Hα-helixtrans-63.7-44.7172.9-58.20000111.3A23 V24 T25 I29 L30A23-T27 WeakPolarHBondContact O-CB 3.25Å; A23-T27 PolarHBondContact O-N 2.8Å; A23-T27 PolarHBondContact O-OG1 3Å; V24-T27 PolarHBondContact O-N 3.43Å; T25-T27 VanDerWaalsContact C-N 3.3Å; T25-T27 PolarHBondContact O-N 2.97Å; T27-I29 VanDerWaalsContact C-N 3.3Å; T27-I29 PolarHBondContact O-N 2.91Å; T27-L30 PolarHBondContact O-N 2.76Å
28V95.9Very high94.7Very high94 Ų9445.9 Ų45.957%0.5725%0.251SS*.Hα-helixtrans-64.7-34.2177.2171.20000111.9V24 T25 P32V24-V28 WeakPolarHBondContact O-CG2 3.18Å; V24-V28 PolarHBondContact O-N 2.98Å; T25-V28 PolarHBondContact O-N 3.11Å; V28-P32 WeakPolarHBondContact O-CD 3.37Å; V28-P32 VanDerWaalsContact O-CG 3.31Å; V28-P32 WeakPolarHBondContact O-CG 3.43Å
29I96.4Very high94.8Very high2 Ų246.4 Ų46.41%0.0126%0.257CS..Hα-helixtrans-76-35.9179.2-70.6167.2000112.3T25 Y26 T27 V31 P32 G33 L72 L283T25-I29 HydrophobicContact CG2-CD1 3.61Å; T25-I29 HydrophobicContact CG2-CG1 4.34Å; T25-I29 VanDerWaalsContact O-CG1 3.28Å; T25-I29 WeakPolarHBondContact O-CG1 3.29Å; T25-I29 PolarHBondContact O-N 3.17Å; Y26-I29 HydrophobicContact CD1-CD1 4.45Å; Y26-I29 PolarHBondContact O-N 3.13Å; T27-I29 VanDerWaalsContact C-N 3.3Å; T27-I29 PolarHBondContact O-N 2.91Å; I29-V31 PolarHBondContact O-N 2.82Å; I29-P32 WeakPolarHBondContact O-CD 3.27Å; I29-G33 WeakPolarHBondContact O-CA 3.43Å; I29-G33 PolarHBondContact O-N 3.19Å; I29-L72 HydrophobicContact CB-CD1 4.04Å; I29-L72 HydrophobicContact CG2-CD1 3.55Å; I29-L283 HydrophobicContact CD1-CD2 3.93Å; I29-L283 HydrophobicContact CD1-CG 4.01Å; I29-L283 HydrophobicContact CG1-CD2 3.62Å; I29-L283 HydrophobicContact CG1-CG 4.28Å
30L96.7Very high94.7Very high44 Ų4445.4 Ų45.423%0.2325%0.253CS..Hα-helixtrans-53.9-54.6-168.8175.160.3000112.6Y26 T27 L34 V69 L72 P73 I76Y26-L30 WeakPolarHBondContact O-CB 3.28Å; Y26-L30 PolarHBondContact O-N 3.37Å; T27-L30 PolarHBondContact O-N 2.76Å; L30-L34 VanDerWaalsContact O-CB 3.23Å; L30-L34 WeakPolarHBondContact O-CB 3.49Å; L30-L34 PolarHBondContact O-N 2.86Å; L30-V69 HydrophobicContact CD1-CG1 3.92Å; L30-L72 HydrophobicContact CB-CD1 4.48Å; L30-L72 HydrophobicContact CD1-CB 4.36Å; L30-P73 HydrophobicContact CD1-CG 4Å; L30-P73 HydrophobicContact CD2-CG 4.19Å; L30-I76 HydrophobicContact CD2-CD1 4.2Å
31V95Very high94.6Very high87 Ų8740.8 Ų40.853%0.52723%0.234SC..Hα-helixtrans-70.4-53.1-174.21780000111.9I29 G33 L34 I35I29-V31 PolarHBondContact O-N 2.82Å; V31-G33 PolarHBondContact O-N 3.11Å; V31-L34 PolarHBondContact O-N 2.87Å; V31-I35 HydrophobicContact CG1-CD1 3.65Å; V31-I35 HydrophobicContact CG1-CG1 4.47Å; V31-I35 WeakPolarHBondContact O-CG1 3.4Å; V31-I35 PolarHBondContact O-N 3.11Å
32P94.3Very high94.3Very high69 Ų6945.5 Ų45.545%0.44825%0.25SS..Hα-helixtrans-64.7-38.3179.5-2033.9000112.7V28 I29 G36V28-P32 WeakPolarHBondContact O-CD 3.37Å; V28-P32 VanDerWaalsContact O-CG 3.31Å; V28-P32 WeakPolarHBondContact O-CG 3.43Å; I29-P32 WeakPolarHBondContact O-CD 3.27Å; P32-G36 WeakPolarHBondContact O-CA 3.38Å; P32-G36 PolarHBondContact O-N 2.97Å
33G95.2Very high93.9Very high0 Ų046 Ų460%025%0.253CS..Hα-helixtrans-63.6-41.4177.400000112.1I29 V31 N37I29-G33 WeakPolarHBondContact O-CA 3.43Å; I29-G33 PolarHBondContact O-N 3.19Å; V31-G33 PolarHBondContact O-N 3.11Å; G33-N37 WeakPolarHBondContact O-CB 3.4Å; G33-N37 PolarHBondContact O-N 3.25Å; G33-N37 PolarHBondContact O-ND2 2.62Å
34L95.5Very high93.4Very high59 Ų5945.8 Ų45.831%0.30925%0.251SS..Hα-helixtrans-68.5-52.9179-172.464.9000111.1L30 V31 I38 L66 V69 L70L30-L34 VanDerWaalsContact O-CB 3.23Å; L30-L34 WeakPolarHBondContact O-CB 3.49Å; L30-L34 PolarHBondContact O-N 2.86Å; V31-L34 PolarHBondContact O-N 2.87Å; L34-I38 HydrophobicContact CD1-CD1 3.75Å; L34-I38 HydrophobicContact CD1-CG1 4.44Å; L34-I38 HydrophobicContact CG-CD1 3.88Å; L34-I38 WeakPolarHBondContact O-CB 3.42Å; L34-I38 VanDerWaalsContact O-CG1 3.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.5Å; L34-I38 PolarHBondContact O-N 3.44Å; L34-I38 VanDerWaalsContact O-N 3.09Å; L34-L66 HydrophobicContact CD1-CD2 3.98Å; L34-V69 HydrophobicContact CB-CG1 3.9Å; L34-V69 HydrophobicContact CD1-CG1 4.35Å; L34-L70 HydrophobicContact CD1-CD2 4.21Å
35I93.6Very high92.9Very high107 Ų10750.7 Ų50.755%0.54926%0.264SS..Hα-helixtrans-62.5-48.5-178-64172.8000110.4V31 N37 L39V31-I35 HydrophobicContact CG1-CD1 3.65Å; V31-I35 HydrophobicContact CG1-CG1 4.47Å; V31-I35 WeakPolarHBondContact O-CG1 3.4Å; V31-I35 PolarHBondContact O-N 3.11Å; I35-N37 PolarHBondContact O-N 2.82Å; I35-L39 VanDerWaalsContact O-CB 3.27Å; I35-L39 WeakPolarHBondContact O-CB 3.35Å; I35-L39 PolarHBondContact O-N 3.43Å
36G91.7Very high92.1Very high15 Ų1550.8 Ų50.816%0.15527%0.269CS..Hα-helixtrans-61.7-45.6-175.900000112.9P32 A40P32-G36 WeakPolarHBondContact O-CA 3.38Å; P32-G36 PolarHBondContact O-N 2.97Å; G36-A40 WeakPolarHBondContact O-CB 3.46Å; G36-A40 PolarHBondContact O-N 2.79Å
37N94.8Very high91.2Very high0 Ų051.9 Ų51.90%027%0.273CS..Hα-helixtrans-78.1-33.7-177.3-69.5-66000113.2G33 I35 A40 L41 A62 L66 S285G33-N37 WeakPolarHBondContact O-CB 3.4Å; G33-N37 PolarHBondContact O-N 3.25Å; G33-N37 PolarHBondContact O-ND2 2.62Å; I35-N37 PolarHBondContact O-N 2.82Å; N37-A40 PolarHBondContact O-N 2.86Å; N37-L41 WeakPolarHBondContact O-CG 3.36Å; N37-L41 PolarHBondContact O-N 3.38Å; N37-A62 HydrophobicContact CB-CB 4.41Å; N37-L66 HydrophobicContact CB-CD1 4.29Å; N37-L66 HydrophobicContact CB-CD2 3.72Å; N37-L66 HydrophobicContact CB-CG 3.68Å; N37-S285 PolarHBondContact ND2-O 2.95Å
38I94.1Very high90.3Very high92 Ų9250.9 Ų50.947%0.47226%0.264SS..Hα-helixtrans-62.3-47.5171.2-70.5173.1000110.3L34 A40 L41 W42 L66L34-I38 HydrophobicContact CD1-CD1 3.75Å; L34-I38 HydrophobicContact CD1-CG1 4.44Å; L34-I38 HydrophobicContact CG-CD1 3.88Å; L34-I38 WeakPolarHBondContact O-CB 3.42Å; L34-I38 VanDerWaalsContact O-CG1 3.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.5Å; L34-I38 PolarHBondContact O-N 3.44Å; L34-I38 VanDerWaalsContact O-N 3.09Å; I38-A40 VanDerWaalsContact C-N 3.29Å; I38-A40 PolarHBondContact O-N 2.73Å; I38-L41 PolarHBondContact O-N 3.09Å; I38-W42 PolarHBondContact O-N 2.98Å; I38-L66 HydrophobicContact CG1-CD1 4.34Å; I38-L66 HydrophobicContact CG1-CD2 3.87Å
39L90.8Very high89.3Confident45 Ų4554.6 Ų54.624%0.23627%0.273CS..Hα-helixtrans-60.1-41.7177.4-178.663.5000111.1I35 W42 V43 L303I35-L39 VanDerWaalsContact O-CB 3.27Å; I35-L39 WeakPolarHBondContact O-CB 3.35Å; I35-L39 PolarHBondContact O-N 3.43Å; L39-W42 HydrophobicContact CD1-CE3 4.11Å; L39-W42 PolarHBondContact O-N 2.73Å; L39-V43 HydrophobicContact CD1-CG2 4.44Å; L39-V43 WeakPolarHBondContact O-CG2 3.41Å; L39-V43 PolarHBondContact O-N 3.24Å; L39-L303 HydrophobicContact CD2-CD2 4.01Å
40A90.3Very high88.1Confident0 Ų059 Ų590%029%0.293CS..Hα-helixtrans-59.8-48176.300000112.9G36 N37 I38 W42 V43 F44 Y292 F299G36-A40 WeakPolarHBondContact O-CB 3.46Å; G36-A40 PolarHBondContact O-N 2.79Å; N37-A40 PolarHBondContact O-N 2.86Å; I38-A40 VanDerWaalsContact C-N 3.29Å; I38-A40 PolarHBondContact O-N 2.73Å; A40-W42 VanDerWaalsContact C-N 3.31Å; A40-W42 PolarHBondContact O-N 3.5Å; A40-V43 PolarHBondContact O-N 3.02Å; A40-F44 HydrophobicContact CB-CD2 4.33Å; A40-F44 HydrophobicContact CB-CE2 3.98Å; A40-F44 WeakPolarHBondContact O-CB 3.43Å; A40-F44 WeakPolarHBondContact O-CD2 3.43Å; A40-F44 WeakPolarHBondContact O-CG 3.49Å; A40-F44 PolarHBondContact O-N 2.92Å; A40-Y292 HydrophobicContact CB-CD2 3.33Å; A40-Y292 HydrophobicContact CB-CE2 3.39Å; A40-Y292 HydrophobicContact CB-CG 4.44Å; A40-F299 HydrophobicContact CB-CE2 4.23Å
41L91.7Very high86.5Confident46 Ų4659 Ų5924%0.24130%0.295CS..Hα-helixtrans-60.2-42176.5-73.1-177.2000112.1N37 I38 F44 Y45 I59 A62 I63 L66N37-L41 WeakPolarHBondContact O-CG 3.36Å; N37-L41 PolarHBondContact O-N 3.38Å; I38-L41 PolarHBondContact O-N 3.09Å; L41-F44 PolarHBondContact O-N 3.49Å; L41-Y45 VanDerWaalsContact O-CB 3.27Å; L41-Y45 WeakPolarHBondContact O-CB 3.27Å; L41-Y45 PolarHBondContact O-N 3.07Å; L41-I59 HydrophobicContact CD2-CB 4.26Å; L41-I59 HydrophobicContact CD2-CG1 4.35Å; L41-I59 HydrophobicContact CD2-CG2 3.8Å; L41-A62 HydrophobicContact CD2-CB 3.78Å; L41-A62 HydrophobicContact CG-CB 3.95Å; L41-I63 HydrophobicContact CD1-CG1 4.31Å; L41-I63 HydrophobicContact CD2-CG1 4.3Å; L41-L66 HydrophobicContact CD1-CD1 3.45Å; L41-L66 VanDerWaalsContact CD1-CD1 3.45Å; L41-L66 HydrophobicContact CG-CD1 4.41Å
42W88.9Confident84.8Confident131 Ų13163.6 Ų63.650%0.49631%0.308SS..Hα-helixtrans-61.2-46.5176.9-178.778000112.1I38 L39 A40 Y45 G46I38-W42 PolarHBondContact O-N 2.98Å; L39-W42 HydrophobicContact CD1-CE3 4.11Å; L39-W42 PolarHBondContact O-N 2.73Å; A40-W42 VanDerWaalsContact C-N 3.31Å; A40-W42 PolarHBondContact O-N 3.5Å; W42-Y45 PolarHBondContact O-N 2.9Å; W42-G46 PolarHBondContact O-N 3.39Å; W42-G46 VanDerWaalsContact O-N 3.17Å
43V86.1Confident83.5Confident9 Ų967.8 Ų67.86%0.05532%0.315CS..Hα-helixtrans-63.8-45.1176.8173.10000111.4L39 A40 Y45 G46 Y47 F299L39-V43 HydrophobicContact CD1-CG2 4.44Å; L39-V43 WeakPolarHBondContact O-CG2 3.41Å; L39-V43 PolarHBondContact O-N 3.24Å; A40-V43 PolarHBondContact O-N 3.02Å; V43-Y45 VanDerWaalsContact C-N 3.35Å; V43-Y45 PolarHBondContact O-N 3.47Å; V43-G46 PolarHBondContact O-N 2.85Å; V43-Y47 WeakPolarHBondContact O-CB 3.47Å; V43-Y47 PolarHBondContact O-N 3.15Å; V43-F299 HydrophobicContact CB-CD2 4Å; V43-F299 HydrophobicContact CB-CE2 4.44Å; V43-F299 HydrophobicContact CG1-CB 4.2Å; V43-F299 HydrophobicContact CG1-CD2 3.73Å; V43-F299 HydrophobicContact CG1-CG 4.37Å; V43-F299 HydrophobicContact CG2-CD2 4.2Å; V43-F299 HydrophobicContact CG2-CE2 4.4Å
44F86.3Confident82Confident0 Ų069.4 Ų69.40%033%0.328CS..Hα-helixtrans-66.3-37.5-179.1-67.9-35.2000112.7A40 L41 Y47 M48 V55 M58 I59 Y292A40-F44 HydrophobicContact CB-CD2 4.33Å; A40-F44 HydrophobicContact CB-CE2 3.98Å; A40-F44 WeakPolarHBondContact O-CB 3.43Å; A40-F44 WeakPolarHBondContact O-CD2 3.43Å; A40-F44 WeakPolarHBondContact O-CG 3.49Å; A40-F44 PolarHBondContact O-N 2.92Å; L41-F44 PolarHBondContact O-N 3.49Å; F44-Y47 PolarHBondContact O-N 3.14Å; F44-M48 WeakPolarHBondContact O-CB 3.36Å; F44-M48 WeakPolarHBondContact O-CG 3.46Å; F44-M48 PolarHBondContact O-N 3.35Å; F44-V55 HydrophobicContact CB-CG2 3.86Å; F44-V55 HydrophobicContact CD1-CB 4.41Å; F44-V55 HydrophobicContact CD1-CG2 4Å; F44-V55 HydrophobicContact CG-CG2 4.04Å; F44-M58 HydrophobicContact CD2-CB 4.41Å; F44-M58 HydrophobicContact CE1-SD 4.26Å; F44-M58 HydrophobicContact CE2-CB 3.74Å; F44-M58 HydrophobicContact CZ-CB 3.82Å; F44-M58 HydrophobicContact CZ-CG 4.42Å; F44-M58 HydrophobicContact CZ-SD 3.98Å; F44-I59 HydrophobicContact CB-CD1 4.02Å; F44-I59 HydrophobicContact CB-CG1 3.74Å; F44-I59 HydrophobicContact CD2-CG1 4.01Å; F44-I59 HydrophobicContact CG-CG1 4.2Å; F44-Y292 AromaticContact CE2-CD1 3.9Å; F44-Y292 HydrophobicContact CE2-CD1 3.9Å; F44-Y292 AromaticContact CE2-CD2 3.94Å; F44-Y292 HydrophobicContact CE2-CD2 3.94Å; F44-Y292 HydrophobicContact CE2-CE1 4.1Å; F44-Y292 HydrophobicContact CE2-CE2 4.13Å; F44-Y292 AromaticContact CE2-CG 3.85Å; F44-Y292 HydrophobicContact CE2-CG 3.85Å; F44-Y292 AromaticContact CZ-CD1 3.55Å; F44-Y292 HydrophobicContact CZ-CD1 3.55Å; F44-Y292 AromaticContact CZ-CD2 3.96Å; F44-Y292 HydrophobicContact CZ-CD2 3.96Å; F44-Y292 HydrophobicContact CZ-CE1 4.19Å; F44-Y292 AromaticContact CZ-CG 3.44Å; F44-Y292 HydrophobicContact CZ-CG 3.44Å; F44-Y292 VanDerWaalsContact CZ-CG 3.44Å
45Y84.3Confident81.3Confident169 Ų16966.9 Ų66.966%0.66332%0.315SS*.Hα-helixtrans-60.1-47.2173.7-178.6-99000111.5L41 W42 V43 K49L41-Y45 VanDerWaalsContact O-CB 3.27Å; L41-Y45 WeakPolarHBondContact O-CB 3.27Å; L41-Y45 PolarHBondContact O-N 3.07Å; W42-Y45 PolarHBondContact O-N 2.9Å; V43-Y45 VanDerWaalsContact C-N 3.35Å; V43-Y45 PolarHBondContact O-N 3.47Å; Y45-K49 PolarHBondContact O-N 2.97Å
46G79.6Confident81.1Confident23 Ų2362.5 Ų62.524%0.23729%0.293CS..Hα-helixtrans-61.1-46.617400000112.8W42 V43 M48 K49 E50W42-G46 PolarHBondContact O-N 3.39Å; W42-G46 VanDerWaalsContact O-N 3.17Å; V43-G46 PolarHBondContact O-N 2.85Å; G46-M48 PolarHBondContact O-N 3.4Å; G46-K49 WeakPolarHBondContact O-CB 3.32Å; G46-K49 PolarHBondContact O-N 3.22Å; G46-K49 VanDerWaalsContact O-N 3.16Å; G46-E50 PolarHBondContact O-N 2.87Å
47Y78.1Confident81.1Confident26 Ų2662.4 Ų62.410%0.10229%0.288CS..Hα-helixtrans-62.6-38.6-179.5-177.8-110.8000113.5V43 F44 K49 E50 T51 R53 V55 T296 E298V43-Y47 WeakPolarHBondContact O-CB 3.47Å; V43-Y47 PolarHBondContact O-N 3.15Å; F44-Y47 PolarHBondContact O-N 3.14Å; Y47-K49 VanDerWaalsContact C-N 3.34Å; Y47-E50 PolarHBondContact O-N 3.14Å; Y47-T51 HydrophobicContact CD2-CG2 3.67Å; Y47-T51 WeakPolarHBondContact CE1-OG1 3.44Å; Y47-T51 HydrophobicContact CE2-CG2 3.34Å; Y47-T51 PolarHBondContact O-N 3.48Å; Y47-T51 PolarHBondContact O-OG1 3.01Å; Y47-R53 HydrophobicContact CE1-CB 4.28Å; Y47-R53 PolarHBondContact OH-NE 3.03Å; Y47-R53 VanDerWaalsContact OH-NE 3.14Å; Y47-V55 HydrophobicContact CD1-CG1 3.87Å; Y47-V55 HydrophobicContact CD1-CG2 4.47Å; Y47-V55 HydrophobicContact CE1-CG1 3.87Å; Y47-T296 HydrophobicContact CD1-CG2 4.16Å; Y47-T296 HydrophobicContact CE1-CG2 3.93Å; Y47-E298 HydrophobicContact CD2-CB 3.32Å; Y47-E298 HydrophobicContact CD2-CG 3.6Å; Y47-E298 HydrophobicContact CE2-CB 3.72Å; Y47-E298 HydrophobicContact CE2-CG 4.41Å; Y47-E298 HydrophobicContact CG-CB 4.11Å; Y47-E298 HydrophobicContact CG-CG 4.29Å
48M76.9Confident80.9Confident51 Ų5162.9 Ų62.925%0.25129%0.291SS..Hα-helixtrans-63.3-41.3175-78.9-174.160.900111.6F44 G46 K52 V55 I59F44-M48 WeakPolarHBondContact O-CB 3.36Å; F44-M48 WeakPolarHBondContact O-CG 3.46Å; F44-M48 PolarHBondContact O-N 3.35Å; G46-M48 PolarHBondContact O-N 3.4Å; M48-K52 WeakPolarHBondContact O-CA 3.4Å; M48-K52 PolarHBondContact O-N 3.31Å; M48-K52 VanDerWaalsContact O-N 3.16Å; M48-V55 HydrophobicContact CG-CG2 3.78Å; M48-V55 HydrophobicContact SD-CG2 4.13Å; M48-I59 HydrophobicContact SD-CD1 3.32Å; M48-I59 WeakPolarHBondContact SD-CD1 3.27Å
49K74.9Confident80.8Confident171 Ų17160 Ų6074%0.74328%0.276SS*.Hα-helixtrans-64.7-39.9177.8-171.6179.3177.8-178.40111.9Y45 G46 Y47Y45-K49 PolarHBondContact O-N 2.97Å; G46-K49 WeakPolarHBondContact O-CB 3.32Å; G46-K49 PolarHBondContact O-N 3.22Å; G46-K49 VanDerWaalsContact O-N 3.16Å; Y47-K49 VanDerWaalsContact C-N 3.34Å
50E71Confident81.1Confident96 Ų9659 Ų5945%0.44927%0.271SS..Hα-helixtrans-78.6-45.2-177.4-71.6179.9-158.700113.4G46 Y47 R301 R302G46-E50 PolarHBondContact O-N 2.87Å; Y47-E50 PolarHBondContact O-N 3.14Å; E50-R301 IonicContact OE2-NH2 3.88Å; E50-R301 PolarHBondContact OE2-NH2 3.24Å; E50-R302 IonicContact OE1-CZ 2.86Å; E50-R302 IonicContact OE1-NH2 2.73Å; E50-R302 PolarHBondContact OE1-NH2 3.17Å
51T62.9Low81.3Confident42 Ų4259 Ų5926%0.25827%0.271SS..Hα-helixtrans-105-8.1-166.867.30000114.9Y47 R53Y47-T51 HydrophobicContact CD2-CG2 3.67Å; Y47-T51 WeakPolarHBondContact CE1-OG1 3.44Å; Y47-T51 HydrophobicContact CE2-CG2 3.34Å; Y47-T51 PolarHBondContact O-N 3.48Å; Y47-T51 PolarHBondContact O-OG1 3.01Å; T51-R53 PolarHBondContact O-N 3.14Å
52K60.1Low81.4Confident185 Ų18556.8 Ų56.880%0.80426%0.259SS*.  trans53.316-173.4-55.8-178.4-179.1177.90114.1M48M48-K52 WeakPolarHBondContact O-CA 3.4Å; M48-K52 PolarHBondContact O-N 3.31Å; M48-K52 VanDerWaalsContact O-N 3.16Å
53R66.5Low81.8Confident156 Ų15653.6 Ų53.659%0.58925%0.251SS*.  trans-90140.9176.6-72-171.8-91.5-159.4-8.2110.4Y47 T51Y47-R53 HydrophobicContact CE1-CB 4.28Å; Y47-R53 PolarHBondContact OH-NE 3.03Å; Y47-R53 VanDerWaalsContact OH-NE 3.14Å; T51-R53 PolarHBondContact O-N 3.14Å
54A63.6Low82.3Confident34 Ų3453.2 Ų53.228%0.28125%0.249SC..  trans-81.2118.3179.600000111.4I56 Q131A54-I56 HydrophobicContact CB-CD1 4.05Å; A54-I56 HydrophobicContact CB-CG1 4.12Å; A54-Q131 HydrophobicContact CB-CB 4.27Å; A54-Q131 HydrophobicContact CB-CG 3.97Å
55V82.2Confident82.8Confident7 Ų753.2 Ų53.24%0.04225%0.249CC..  trans-110.330.9167-67.80000111.1F44 Y47 M48 F57 M58 I59 T296F44-V55 HydrophobicContact CB-CG2 3.86Å; F44-V55 HydrophobicContact CD1-CB 4.41Å; F44-V55 HydrophobicContact CD1-CG2 4Å; F44-V55 HydrophobicContact CG-CG2 4.04Å; Y47-V55 HydrophobicContact CD1-CG1 3.87Å; Y47-V55 HydrophobicContact CD1-CG2 4.47Å; Y47-V55 HydrophobicContact CE1-CG1 3.87Å; M48-V55 HydrophobicContact CG-CG2 3.78Å; M48-V55 HydrophobicContact SD-CG2 4.13Å; V55-F57 PolarHBondContact O-N 3.29Å; V55-M58 HydrophobicContact CB-CE 3.95Å; V55-M58 HydrophobicContact CG1-CE 3.76Å; V55-M58 PolarHBondContact O-N 3.48Å; V55-M58 VanDerWaalsContact O-N 3.08Å; V55-I59 HydrophobicContact CG2-CD1 4Å; V55-I59 HydrophobicContact CG2-CG1 4.29Å; V55-I59 PolarHBondContact O-N 3.41Å; V55-I59 VanDerWaalsContact O-N 3.09Å; V55-T296 HydrophobicContact CG1-CG2 4.48Å
56I89Confident83.5Confident15 Ų1546.3 Ų46.38%0.07722%0.223CC..Hα-helixtrans-57.7-45.6-167.6-66.5173.1000111.9A54 M58 I59 N60 Q131 D134 L135 S138A54-I56 HydrophobicContact CB-CD1 4.05Å; A54-I56 HydrophobicContact CB-CG1 4.12Å; I56-M58 VanDerWaalsContact C-N 3.31Å; I56-M58 PolarHBondContact O-N 3.48Å; I56-I59 PolarHBondContact O-N 2.86Å; I56-N60 VanDerWaalsContact CG2-ND2 3.33Å; I56-N60 WeakPolarHBondContact CG2-ND2 3.39Å; I56-N60 PolarHBondContact O-N 2.88Å; I56-N60 PolarHBondContact O-ND2 2.96Å; I56-Q131 HydrophobicContact CD1-CG 3.72Å; I56-Q131 WeakPolarHBondContact CD1-O 3.23Å; I56-D134 HydrophobicContact CB-CB 4.37Å; I56-D134 HydrophobicContact CD1-CB 4.1Å; I56-L135 HydrophobicContact CD1-CB 4.13Å; I56-S138 WeakPolarHBondContact CG2-OG 3.44Å
57F91.4Very high84.3Confident13 Ų1348.6 Ų48.66%0.05723%0.23CC..Hα-helixtrans-63.2-35.7179.8-56.8-45.8000112.9V55 N60 L61 F108 C111 I112 R115 D134 I137 S138V55-F57 PolarHBondContact O-N 3.29Å; F57-N60 PolarHBondContact O-N 3.31Å; F57-L61 WeakPolarHBondContact O-CB 3.31Å; F57-L61 PolarHBondContact O-N 3.17Å; F57-F108 HydrophobicContact CB-CD1 4.17Å; F57-F108 AromaticContact CD1-CD1 3.95Å; F57-F108 HydrophobicContact CD1-CD1 3.95Å; F57-F108 HydrophobicContact CD1-CE1 4.23Å; F57-F108 HydrophobicContact CG-CD1 4.48Å; F57-C111 HydrophobicContact CB-CB 4.43Å; F57-C111 HydrophobicContact CD1-CB 3.85Å; F57-C111 HydrophobicContact CD2-CB 3.74Å; F57-C111 HydrophobicContact CE1-CB 3.97Å; F57-C111 HydrophobicContact CE2-CB 3.86Å; F57-C111 HydrophobicContact CG-CB 3.74Å; F57-C111 HydrophobicContact CZ-CB 3.98Å; F57-I112 HydrophobicContact CB-CD1 4.3Å; F57-I112 HydrophobicContact CB-CG1 3.67Å; F57-R115 HydrophobicContact CE2-CB 4.34Å; F57-D134 HydrophobicContact CE1-CB 4.22Å; F57-D134 WeakPolarHBondContact CE1-O 3.01Å; F57-D134 HydrophobicContact CE2-CB 4.2Å; F57-D134 HydrophobicContact CZ-CB 3.79Å; F57-I137 HydrophobicContact CE1-CB 4.22Å; F57-I137 HydrophobicContact CE1-CG2 3.86Å; F57-I137 HydrophobicContact CZ-CB 4.36Å; F57-I137 HydrophobicContact CZ-CG2 4.04Å; F57-S138 VanDerWaalsContact CD1-OG 3.29Å; F57-S138 WeakPolarHBondContact CD1-OG 3.43Å; F57-S138 WeakPolarHBondContact CE1-OG 3.43Å
58M90.8Very high85.1Confident10 Ų1047.5 Ų47.55%0.04923%0.225CC..Hα-helixtrans-70.5-36.8176.4-71.4176.1-9700112F44 V55 I56 L61 A62 I112 Y292 S295F44-M58 HydrophobicContact CD2-CB 4.41Å; F44-M58 HydrophobicContact CE1-SD 4.26Å; F44-M58 HydrophobicContact CE2-CB 3.74Å; F44-M58 HydrophobicContact CZ-CB 3.82Å; F44-M58 HydrophobicContact CZ-CG 4.42Å; F44-M58 HydrophobicContact CZ-SD 3.98Å; V55-M58 HydrophobicContact CB-CE 3.95Å; V55-M58 HydrophobicContact CG1-CE 3.76Å; V55-M58 PolarHBondContact O-N 3.48Å; V55-M58 VanDerWaalsContact O-N 3.08Å; I56-M58 VanDerWaalsContact C-N 3.31Å; I56-M58 PolarHBondContact O-N 3.48Å; M58-L61 PolarHBondContact O-N 2.9Å; M58-A62 PolarHBondContact O-N 2.93Å; M58-I112 HydrophobicContact CG-CD1 3.72Å; M58-I112 HydrophobicContact CG-CG1 4.25Å; M58-Y292 HydrophobicContact CB-CD1 4.29Å; M58-Y292 HydrophobicContact CB-CE1 4.05Å; M58-Y292 HydrophobicContact CG-CD1 4.19Å; M58-Y292 HydrophobicContact CG-CE1 4.18Å; M58-Y292 HydrophobicContact SD-CD1 4.25Å; M58-S295 WeakPolarHBondContact CE-OG 3.17Å; M58-S295 PolarHBondContact SD-OG 3.4Å
59I92.3Very high86.1Confident32 Ų3245 Ų4516%0.16421%0.213CC..Hα-helixtrans-63.3-46.4173.1-71.4171.4000110.6L41 F44 M48 V55 I56 L61 A62 I63L41-I59 HydrophobicContact CD2-CB 4.26Å; L41-I59 HydrophobicContact CD2-CG1 4.35Å; L41-I59 HydrophobicContact CD2-CG2 3.8Å; F44-I59 HydrophobicContact CB-CD1 4.02Å; F44-I59 HydrophobicContact CB-CG1 3.74Å; F44-I59 HydrophobicContact CD2-CG1 4.01Å; F44-I59 HydrophobicContact CG-CG1 4.2Å; M48-I59 HydrophobicContact SD-CD1 3.32Å; M48-I59 WeakPolarHBondContact SD-CD1 3.27Å; V55-I59 HydrophobicContact CG2-CD1 4Å; V55-I59 HydrophobicContact CG2-CG1 4.29Å; V55-I59 PolarHBondContact O-N 3.41Å; V55-I59 VanDerWaalsContact O-N 3.09Å; I56-I59 PolarHBondContact O-N 2.86Å; I59-L61 VanDerWaalsContact C-N 3.3Å; I59-L61 PolarHBondContact O-N 3.29Å; I59-A62 PolarHBondContact O-N 3.42Å; I59-I63 HydrophobicContact CG2-CD1 3.83Å; I59-I63 HydrophobicContact CG2-CG1 4.48Å; I59-I63 VanDerWaalsContact O-CG1 3.31Å; I59-I63 WeakPolarHBondContact O-CG1 3.18Å; I59-I63 PolarHBondContact O-N 3.35Å
60N95.3Very high87.2Confident23 Ų2342.1 Ų42.112%0.12321%0.205CC..Hα-helixtrans-65.3-35.7179.1-75-81.7000112.2I56 F57 I63 A64 F108 W142I56-N60 VanDerWaalsContact CG2-ND2 3.33Å; I56-N60 WeakPolarHBondContact CG2-ND2 3.39Å; I56-N60 PolarHBondContact O-N 2.88Å; I56-N60 PolarHBondContact O-ND2 2.96Å; F57-N60 PolarHBondContact O-N 3.31Å; N60-I63 PolarHBondContact O-N 3.16Å; N60-A64 PolarHBondContact O-N 3.03Å; N60-F108 HydrophobicContact CB-CD1 4.02Å; N60-F108 HydrophobicContact CB-CD2 3.99Å; N60-F108 HydrophobicContact CB-CE1 3.56Å; N60-F108 HydrophobicContact CB-CE2 3.55Å; N60-F108 HydrophobicContact CB-CG 4.25Å; N60-F108 HydrophobicContact CB-CZ 3.34Å; N60-W142 PolarHBondContact OD1-NE1 3.02Å
61L94.6Very high88.4Confident0 Ų037.8 Ų37.80%019%0.186CC..Hα-helixtrans-59.5-51.6171.4-174.660.6000111.2F57 M58 I59 I63 A64 D65 S105 F108 L109 I112 D288 Y292F57-L61 WeakPolarHBondContact O-CB 3.31Å; F57-L61 PolarHBondContact O-N 3.17Å; M58-L61 PolarHBondContact O-N 2.9Å; I59-L61 VanDerWaalsContact C-N 3.3Å; I59-L61 PolarHBondContact O-N 3.29Å; L61-I63 VanDerWaalsContact C-N 3.29Å; L61-I63 PolarHBondContact O-N 3.4Å; L61-A64 WeakPolarHBondContact O-CB 3.47Å; L61-A64 PolarHBondContact O-N 2.92Å; L61-A64 VanDerWaalsContact O-N 3.08Å; L61-D65 PolarHBondContact O-N 2.82Å; L61-S105 VanDerWaalsContact CD1-CA 3.46Å; L61-S105 WeakPolarHBondContact CD1-OG 3.13Å; L61-F108 HydrophobicContact CB-CB 4.16Å; L61-F108 HydrophobicContact CD1-CB 4.29Å; L61-L109 HydrophobicContact CD2-CD2 4.05Å; L61-L109 HydrophobicContact CD2-CG 4.47Å; L61-I112 HydrophobicContact CD2-CD1 4.08Å; L61-D288 WeakPolarHBondContact CD1-OD2 3.45Å; L61-D288 HydrophobicContact CD2-CB 4.19Å; L61-D288 HydrophobicContact CG-CB 4.48Å; L61-D288 WeakPolarHBondContact CG-OD2 3.16Å; L61-Y292 HydrophobicContact CD2-CE1 4.21Å
62A95.5Very high90Very high0 Ų035.8 Ų35.80%017%0.173CC..Hα-helixtrans-60.7-35.9177.200000112.9N37 L41 M58 I59 D65 L66 Y292N37-A62 HydrophobicContact CB-CB 4.41Å; L41-A62 HydrophobicContact CD2-CB 3.78Å; L41-A62 HydrophobicContact CG-CB 3.95Å; M58-A62 PolarHBondContact O-N 2.93Å; I59-A62 PolarHBondContact O-N 3.42Å; A62-D65 PolarHBondContact O-N 3.16Å; A62-L66 VanDerWaalsContact O-CG 3.32Å; A62-L66 WeakPolarHBondContact O-CG 3.49Å; A62-L66 PolarHBondContact O-N 2.93Å; A62-Y292 HydrophobicContact CB-CE2 4.41Å; A62-Y292 PolarHBondContact N-OH 3.12Å
63I96.8Very high91.7Very high64 Ų6430 Ų3033%0.32815%0.154SC..Hα-helixtrans-64.6-46.5173.5-69.7166.6000110.6L41 I59 N60 L61 D65 L66 L67 W142L41-I63 HydrophobicContact CD1-CG1 4.31Å; L41-I63 HydrophobicContact CD2-CG1 4.3Å; I59-I63 HydrophobicContact CG2-CD1 3.83Å; I59-I63 HydrophobicContact CG2-CG1 4.48Å; I59-I63 VanDerWaalsContact O-CG1 3.31Å; I59-I63 WeakPolarHBondContact O-CG1 3.18Å; I59-I63 PolarHBondContact O-N 3.35Å; N60-I63 PolarHBondContact O-N 3.16Å; L61-I63 VanDerWaalsContact C-N 3.29Å; L61-I63 PolarHBondContact O-N 3.4Å; I63-D65 VanDerWaalsContact C-N 3.28Å; I63-D65 PolarHBondContact O-N 2.96Å; I63-L66 PolarHBondContact O-N 3.2Å; I63-L67 HydrophobicContact CG2-CD1 4.2Å; I63-L67 WeakPolarHBondContact O-CG 3.25Å; I63-L67 PolarHBondContact O-N 2.9Å; I63-W142 HydrophobicContact CG2-CZ2 4.4Å
64A97.1Very high93.2Very high1 Ų124.4 Ų24.41%0.00814%0.136CC..Hα-helixtrans-59.5-40.9177.600000111.6N60 L61 Q68 N101 A104 W142N60-A64 PolarHBondContact O-N 3.03Å; L61-A64 WeakPolarHBondContact O-CB 3.47Å; L61-A64 PolarHBondContact O-N 2.92Å; L61-A64 VanDerWaalsContact O-N 3.08Å; A64-Q68 PolarHBondContact O-N 3.35Å; A64-N101 VanDerWaalsContact C-ND2 3.26Å; A64-N101 PolarHBondContact O-ND2 3.45Å; A64-A104 HydrophobicContact CB-CB 3.83Å; A64-W142 HydrophobicContact CB-CH2 3.69Å; A64-W142 HydrophobicContact CB-CZ2 4.13Å
65D96.8Very high94.7Very high0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-66.6-43.8176.5-72-37.3000112.6L61 A62 I63 L67 Q68 V69 N101 S285L61-D65 PolarHBondContact O-N 2.82Å; A62-D65 PolarHBondContact O-N 3.16Å; I63-D65 VanDerWaalsContact C-N 3.28Å; I63-D65 PolarHBondContact O-N 2.96Å; D65-L67 VanDerWaalsContact C-N 3.35Å; D65-L67 PolarHBondContact O-N 3.26Å; D65-Q68 PolarHBondContact O-N 3.21Å; D65-V69 WeakPolarHBondContact O-CB 2.99Å; D65-V69 VanDerWaalsContact O-CG2 3.24Å; D65-V69 WeakPolarHBondContact O-CG2 3.31Å; D65-V69 PolarHBondContact O-N 2.66Å; D65-N101 WeakPolarHBondContact CA-ND2 3.28Å; D65-N101 PolarHBondContact N-ND2 3Å; D65-N101 PolarHBondContact OD1-ND2 2.72Å; D65-S285 WeakPolarHBondContact OD1-CA 3.28Å; D65-S285 WeakPolarHBondContact OD1-CB 3.31Å; D65-S285 PolarHBondContact OD1-OG 3.35Å
66L97.4Very high95.3Very high23 Ų2323.6 Ų23.612%0.1213%0.126CC..Hα-helixtrans-61.6-42.8176.4-74.7172.3000112.1L34 N37 I38 L41 A62 I63 Q68 V69 L70L34-L66 HydrophobicContact CD1-CD2 3.98Å; N37-L66 HydrophobicContact CB-CD1 4.29Å; N37-L66 HydrophobicContact CB-CD2 3.72Å; N37-L66 HydrophobicContact CB-CG 3.68Å; I38-L66 HydrophobicContact CG1-CD1 4.34Å; I38-L66 HydrophobicContact CG1-CD2 3.87Å; L41-L66 HydrophobicContact CD1-CD1 3.45Å; L41-L66 VanDerWaalsContact CD1-CD1 3.45Å; L41-L66 HydrophobicContact CG-CD1 4.41Å; A62-L66 VanDerWaalsContact O-CG 3.32Å; A62-L66 WeakPolarHBondContact O-CG 3.49Å; A62-L66 PolarHBondContact O-N 2.93Å; I63-L66 PolarHBondContact O-N 3.2Å; L66-Q68 VanDerWaalsContact C-N 3.27Å; L66-Q68 PolarHBondContact O-N 3.25Å; L66-V69 PolarHBondContact O-N 3.06Å; L66-L70 WeakPolarHBondContact O-CB 3.42Å; L66-L70 WeakPolarHBondContact O-CG 3.32Å; L66-L70 PolarHBondContact O-N 3.34Å
67L96.8Very high95.7Very high72 Ų7226.5 Ų26.538%0.37714%0.139SC..Hα-helixtrans-58.4-41.2176.6-70.5173000111.8I63 D65 S71 L97 W142I63-L67 HydrophobicContact CG2-CD1 4.2Å; I63-L67 WeakPolarHBondContact O-CG 3.25Å; I63-L67 PolarHBondContact O-N 2.9Å; D65-L67 VanDerWaalsContact C-N 3.35Å; D65-L67 PolarHBondContact O-N 3.26Å; L67-S71 PolarHBondContact O-N 3.44Å; L67-L97 HydrophobicContact CB-CD2 4.35Å; L67-W142 HydrophobicContact CD1-CH2 4.47Å
68Q95.9Very high95.8Very high2 Ų226 Ų261%0.00914%0.136CC..Hα-helixtrans-68.5-47.1175.5169.459.719.700112.1A64 D65 L66 L70 S71 L72 K98 N101A64-Q68 PolarHBondContact O-N 3.35Å; D65-Q68 PolarHBondContact O-N 3.21Å; L66-Q68 VanDerWaalsContact C-N 3.27Å; L66-Q68 PolarHBondContact O-N 3.25Å; Q68-L70 VanDerWaalsContact C-N 3.32Å; Q68-L70 PolarHBondContact O-N 2.91Å; Q68-S71 WeakPolarHBondContact O-CB 3.44Å; Q68-S71 PolarHBondContact O-N 3.37Å; Q68-S71 PolarHBondContact O-OG 2.96Å; Q68-L72 PolarHBondContact O-N 2.91Å; Q68-K98 VanDerWaalsContact OE1-CA 3.26Å; Q68-N101 HydrophobicContact CB-CB 3.58Å; Q68-N101 VanDerWaalsContact CB-CG 3.47Å; Q68-N101 HydrophobicContact CG-CB 4.11Å
69V97.3Very high96Very high0 Ų025.9 Ų25.90%014%0.135CC..Hα-helixtrans-60.2-41.6-179.8170.30000111.2L30 L34 D65 L66 S71 L72 P73L30-V69 HydrophobicContact CD1-CG1 3.92Å; L34-V69 HydrophobicContact CB-CG1 3.9Å; L34-V69 HydrophobicContact CD1-CG1 4.35Å; D65-V69 WeakPolarHBondContact O-CB 2.99Å; D65-V69 VanDerWaalsContact O-CG2 3.24Å; D65-V69 WeakPolarHBondContact O-CG2 3.31Å; D65-V69 PolarHBondContact O-N 2.66Å; L66-V69 PolarHBondContact O-N 3.06Å; V69-S71 PolarHBondContact O-N 3.48Å; V69-L72 HydrophobicContact CG2-CD1 4.46Å; V69-L72 VanDerWaalsContact O-CB 3.31Å; V69-L72 WeakPolarHBondContact O-CB 3.49Å; V69-L72 WeakPolarHBondContact O-CG 3.5Å; V69-L72 PolarHBondContact O-N 2.89Å; V69-P73 WeakPolarHBondContact O-CD 3.22Å
70L97Very high96Very high110 Ų11029.5 Ų29.558%0.57615%0.154SC*.Hα-helixtrans-64.4-22.7176.5-69.7171.4000113.1L34 L66 Q68 P73L34-L70 HydrophobicContact CD1-CD2 4.21Å; L66-L70 WeakPolarHBondContact O-CB 3.42Å; L66-L70 WeakPolarHBondContact O-CG 3.32Å; L66-L70 PolarHBondContact O-N 3.34Å; Q68-L70 VanDerWaalsContact C-N 3.32Å; Q68-L70 PolarHBondContact O-N 2.91Å; L70-P73 WeakPolarHBondContact O-CD 3.41Å
71S96.5Very high95.8Very high5 Ų532.6 Ų32.64%0.03517%0.171CC..Hα-helixtrans-82.8-15.6174.281.60000113.8L67 Q68 V69 L74 R75L67-S71 PolarHBondContact O-N 3.44Å; Q68-S71 WeakPolarHBondContact O-CB 3.44Å; Q68-S71 PolarHBondContact O-N 3.37Å; Q68-S71 PolarHBondContact O-OG 2.96Å; V69-S71 PolarHBondContact O-N 3.48Å; S71-L74 PolarHBondContact O-N 3.36Å; S71-R75 PolarHBondContact O-N 3.32Å; S71-R75 PolarHBondContact OG-NH2 2.68Å
72L96.6Very high95.6Very high0 Ų037.2 Ų37.20%019%0.193CC..Hα-helixtrans-64.2-38.8-175-63-179.8000114.4Y26 I29 L30 Q68 V69 L74 R75 I76Y26-L72 HydrophobicContact CD1-CD2 3.82Å; Y26-L72 HydrophobicContact CD2-CD2 4.37Å; Y26-L72 HydrophobicContact CE1-CD2 4.36Å; Y26-L72 HydrophobicContact CG-CD2 3.83Å; I29-L72 HydrophobicContact CB-CD1 4.04Å; I29-L72 HydrophobicContact CG2-CD1 3.55Å; L30-L72 HydrophobicContact CB-CD1 4.48Å; L30-L72 HydrophobicContact CD1-CB 4.36Å; Q68-L72 PolarHBondContact O-N 2.91Å; V69-L72 HydrophobicContact CG2-CD1 4.46Å; V69-L72 VanDerWaalsContact O-CB 3.31Å; V69-L72 WeakPolarHBondContact O-CB 3.49Å; V69-L72 WeakPolarHBondContact O-CG 3.5Å; V69-L72 PolarHBondContact O-N 2.89Å; L72-L74 VanDerWaalsContact C-N 3.26Å; L72-L74 PolarHBondContact O-N 3.48Å; L72-R75 WeakPolarHBondContact O-CB 3.14Å; L72-R75 PolarHBondContact O-N 2.88Å; L72-I76 HydrophobicContact CB-CD1 4.32Å; L72-I76 VanDerWaalsContact O-CG1 3.26Å; L72-I76 WeakPolarHBondContact O-CG1 3.23Å; L72-I76 PolarHBondContact O-N 3.15Å
73P97.1Very high95.3Very high62 Ų6240.1 Ų40.140%0.40321%0.208SC..Hα-helixtrans-55.9-40.9179.7-27.636.4000113L30 V69 L70 I76 F77L30-P73 HydrophobicContact CD1-CG 4Å; L30-P73 HydrophobicContact CD2-CG 4.19Å; V69-P73 WeakPolarHBondContact O-CD 3.22Å; L70-P73 WeakPolarHBondContact O-CD 3.41Å; P73-I76 PolarHBondContact O-N 3.13Å; P73-F77 PolarHBondContact O-N 3.13Å
74L96.4Very high95Very high40 Ų4037.5 Ų37.521%0.20919%0.194CC..Hα-helixtrans-67.3-39.3177.5-60.4171.7000111.6S71 L72 F77 Y78 W84 F86 L90S71-L74 PolarHBondContact O-N 3.36Å; L72-L74 VanDerWaalsContact C-N 3.26Å; L72-L74 PolarHBondContact O-N 3.48Å; L74-F77 WeakPolarHBondContact O-CB 3.38Å; L74-F77 PolarHBondContact O-N 3.43Å; L74-Y78 PolarHBondContact O-N 3.23Å; L74-Y78 VanDerWaalsContact O-N 3.09Å; L74-W84 HydrophobicContact CB-CH2 3.71Å; L74-W84 HydrophobicContact CB-CZ3 3.91Å; L74-W84 HydrophobicContact CD1-CH2 4.4Å; L74-W84 WeakPolarHBondContact O-CZ3 3.13Å; L74-F86 HydrophobicContact CD2-CD1 4.18Å; L74-F86 HydrophobicContact CD2-CD2 4.07Å; L74-F86 HydrophobicContact CD2-CE1 4Å; L74-F86 HydrophobicContact CD2-CE2 3.89Å; L74-F86 HydrophobicContact CD2-CG 4.22Å; L74-F86 HydrophobicContact CD2-CZ 3.85Å; L74-L90 HydrophobicContact CD1-CD1 4.33Å; L74-L90 HydrophobicContact CD1-CD2 3.59Å; L74-L90 HydrophobicContact CD1-CG 4Å; L74-L90 HydrophobicContact CD2-CD2 4.39Å
75R95.3Very high94.7Very high4 Ų441.1 Ų41.12%0.01522%0.218CC..Hα-helixtrans-65.7-45.1175.2-66.4-178.9-170.1-175.215.5111.8Y26 S71 L72 F77 Y78 Y79 C94 K98 F169Y26-R75 HydrophobicContact CD2-CB 3.97Å; Y26-R75 HydrophobicContact CE2-CB 4.18Å; S71-R75 PolarHBondContact O-N 3.32Å; S71-R75 PolarHBondContact OG-NH2 2.68Å; L72-R75 WeakPolarHBondContact O-CB 3.14Å; L72-R75 PolarHBondContact O-N 2.88Å; R75-F77 VanDerWaalsContact C-N 3.27Å; R75-F77 PolarHBondContact O-N 3.49Å; R75-Y78 WeakPolarHBondContact O-CB 3.4Å; R75-Y78 PolarHBondContact O-N 3.27Å; R75-Y78 VanDerWaalsContact O-N 3.14Å; R75-Y79 HydrophobicContact CB-CD2 4.33Å; R75-Y79 HydrophobicContact CB-CE2 4.16Å; R75-Y79 WeakPolarHBondContact O-CD2 3.44Å; R75-Y79 PolarHBondContact O-N 3.12Å; R75-C94 PolarHBondContact NH2-O 2.82Å; R75-K98 VanDerWaalsContact NH2-CB 3.31Å; R75-F169 HydrophobicContact CB-CE2 4.24Å; R75-F169 HydrophobicContact CB-CZ 4.43Å; R75-F169 HydrophobicContact CG-CD2 4.33Å; R75-F169 HydrophobicContact CG-CE1 3.89Å; R75-F169 HydrophobicContact CG-CE2 3.68Å; R75-F169 HydrophobicContact CG-CZ 3.44Å; R75-F169 VanDerWaalsContact CG-CZ 3.44Å
76I96.4Very high94.3Very high20 Ų2045 Ų4510%0.10323%0.234CC..Hα-helixtrans-58.5-45.3177.1-66.7160.8000109.3L30 L72 P73 Y78 Y79 L80L30-I76 HydrophobicContact CD2-CD1 4.2Å; L72-I76 HydrophobicContact CB-CD1 4.32Å; L72-I76 VanDerWaalsContact O-CG1 3.26Å; L72-I76 WeakPolarHBondContact O-CG1 3.23Å; L72-I76 PolarHBondContact O-N 3.15Å; P73-I76 PolarHBondContact O-N 3.13Å; I76-Y78 VanDerWaalsContact C-N 3.33Å; I76-Y78 PolarHBondContact O-N 3.09Å; I76-Y79 PolarHBondContact O-N 3.32Å; I76-L80 HydrophobicContact CG2-CD1 3.7Å; I76-L80 HydrophobicContact CG2-CG 4.27Å; I76-L80 WeakPolarHBondContact O-CB 3.21Å; I76-L80 WeakPolarHBondContact O-CG 3.26Å; I76-L80 PolarHBondContact O-N 3.06Å
77F95.9Very high93.9Very high76 Ų7645.3 Ų45.333%0.33324%0.243SC..Hα-helixtrans-54.8-48.2174.5-177.6-83.3000111.9P73 L74 R75 L80 N81 P85 F86P73-F77 PolarHBondContact O-N 3.13Å; L74-F77 WeakPolarHBondContact O-CB 3.38Å; L74-F77 PolarHBondContact O-N 3.43Å; R75-F77 VanDerWaalsContact C-N 3.27Å; R75-F77 PolarHBondContact O-N 3.49Å; F77-L80 PolarHBondContact O-N 3.35Å; F77-N81 WeakPolarHBondContact CD2-ND2 3.48Å; F77-N81 HydrophobicContact CE1-CB 4.17Å; F77-N81 WeakPolarHBondContact CE2-ND2 3.32Å; F77-N81 HydrophobicContact CZ-CB 4.29Å; F77-N81 WeakPolarHBondContact O-CB 3.4Å; F77-N81 PolarHBondContact O-N 3.44Å; F77-N81 PolarHBondContact O-ND2 2.85Å; F77-P85 HydrophobicContact CE1-CG 3.83Å; F77-P85 HydrophobicContact CZ-CG 4.24Å; F77-F86 HydrophobicContact CB-CE2 4.45Å; F77-F86 AromaticContact CD1-CE2 3.63Å; F77-F86 HydrophobicContact CD1-CE2 3.63Å; F77-F86 AromaticContact CD1-CZ 3.94Å; F77-F86 HydrophobicContact CD1-CZ 3.94Å; F77-F86 HydrophobicContact CE1-CE2 4.13Å; F77-F86 HydrophobicContact CE1-CZ 4.26Å; F77-F86 HydrophobicContact CG-CE2 4.09Å; F77-F86 HydrophobicContact CG-CZ 4.1Å
78Y94.4Very high93.4Very high2 Ų245.4 Ų45.41%0.00825%0.248CC..Hα-helixtrans-58.8-49.3177.9176.5-107.1000112.9Y19 L74 R75 I76 L80 H82 W84 T166 C168 F169 D171Y19-Y78 HydrophobicContact CE1-CE1 4.21Å; Y19-Y78 PolarHBondContact OH-OH 3.11Å; Y19-Y78 VanDerWaalsContact OH-OH 3.12Å; L74-Y78 PolarHBondContact O-N 3.23Å; L74-Y78 VanDerWaalsContact O-N 3.09Å; R75-Y78 WeakPolarHBondContact O-CB 3.4Å; R75-Y78 PolarHBondContact O-N 3.27Å; R75-Y78 VanDerWaalsContact O-N 3.14Å; I76-Y78 VanDerWaalsContact C-N 3.33Å; I76-Y78 PolarHBondContact O-N 3.09Å; Y78-L80 VanDerWaalsContact C-N 3.29Å; Y78-L80 PolarHBondContact O-N 3.05Å; Y78-H82 WeakPolarHBondContact O-CA 3.4Å; Y78-H82 PolarHBondContact O-N 3.23Å; Y78-W84 HydrophobicContact CD2-CB 4.02Å; Y78-W84 HydrophobicContact CD2-CE3 4.33Å; Y78-W84 HydrophobicContact CE2-CB 4.42Å; Y78-W84 HydrophobicContact CG-CE3 4.39Å; Y78-T166 VanDerWaalsContact CE2-O 3.31Å; Y78-T166 WeakPolarHBondContact CE2-O 3.38Å; Y78-C168 HydrophobicContact CD2-CB 3.97Å; Y78-C168 HydrophobicContact CE1-CB 4.43Å; Y78-C168 WeakPolarHBondContact CE1-O 3.35Å; Y78-C168 HydrophobicContact CE2-CB 3.82Å; Y78-C168 HydrophobicContact CG-CB 4.34Å; Y78-C168 VanDerWaalsContact CZ-N 3.33Å; Y78-C168 PolarHBondContact OH-N 2.87Å; Y78-C168 VanDerWaalsContact OH-N 3.07Å; Y78-C168 PolarHBondContact OH-O 3.37Å; Y78-F169 AromaticContact CD1-CD2 3.66Å; Y78-F169 HydrophobicContact CD1-CD2 3.66Å; Y78-F169 HydrophobicContact CD1-CE2 4.16Å; Y78-F169 HydrophobicContact CE1-CD2 4.14Å; Y78-F169 HydrophobicContact CG-CD2 4.13Å; Y78-F169 HydrophobicContact CG-CE2 4.19Å; Y78-D171 PolarHBondContact OH-OD2 3.36Å
79Y93.8Very high93.1Very high7 Ų747.9 Ų47.93%0.02727%0.274CS..Hα-helixtrans-73.5-18.9-175.7-68.3-62.3000113.8Y19 Y22 Y26 R75 I76 F169 V170Y19-Y79 AromaticContact CD1-CD1 3.89Å; Y19-Y79 HydrophobicContact CD1-CD1 3.89Å; Y19-Y79 WeakPolarHBondContact CD1-O 3.35Å; Y19-Y79 HydrophobicContact CD2-CD1 4.18Å; Y19-Y79 HydrophobicContact CE1-CD1 4.23Å; Y19-Y79 AromaticContact CG-CD1 3.87Å; Y19-Y79 HydrophobicContact CG-CD1 3.87Å; Y22-Y79 AromaticContact CD2-CD1 3.96Å; Y22-Y79 HydrophobicContact CD2-CD1 3.96Å; Y22-Y79 AromaticContact CD2-CE1 3.42Å; Y22-Y79 HydrophobicContact CD2-CE1 3.42Å; Y22-Y79 VanDerWaalsContact CD2-CE1 3.42Å; Y22-Y79 HydrophobicContact CD2-CE2 4.26Å; Y22-Y79 AromaticContact CD2-CZ 3.58Å; Y22-Y79 HydrophobicContact CE2-CE1 4.2Å; Y22-Y79 HydrophobicContact CG-CE1 4.19Å; Y22-Y79 HydrophobicContact CG-CE2 4.29Å; Y26-Y79 HydrophobicContact CD2-CD2 4.13Å; Y26-Y79 HydrophobicContact CD2-CE2 4.17Å; Y26-Y79 HydrophobicContact CE2-CD2 4Å; Y26-Y79 AromaticContact CE2-CE2 3.6Å; Y26-Y79 HydrophobicContact CE2-CE2 3.6Å; R75-Y79 HydrophobicContact CB-CD2 4.33Å; R75-Y79 HydrophobicContact CB-CE2 4.16Å; R75-Y79 WeakPolarHBondContact O-CD2 3.44Å; R75-Y79 PolarHBondContact O-N 3.12Å; I76-Y79 PolarHBondContact O-N 3.32Å; Y79-F169 HydrophobicContact CE2-CD2 4.25Å; Y79-F169 WeakPolarHBondContact OH-CB 3.11Å; Y79-V170 HydrophobicContact CE1-CG1 4.21Å
80L93.3Very high92.8Very high108 Ų10850.9 Ų50.957%0.56529%0.29SS*.Hα-helixtrans-89.4-38173.8-69177.4000113A23 I76 F77 Y78A23-L80 HydrophobicContact CB-CD2 3.69Å; A23-L80 HydrophobicContact CB-CG 4.04Å; I76-L80 HydrophobicContact CG2-CD1 3.7Å; I76-L80 HydrophobicContact CG2-CG 4.27Å; I76-L80 WeakPolarHBondContact O-CB 3.21Å; I76-L80 WeakPolarHBondContact O-CG 3.26Å; I76-L80 PolarHBondContact O-N 3.06Å; F77-L80 PolarHBondContact O-N 3.35Å; Y78-L80 VanDerWaalsContact C-N 3.29Å; Y78-L80 PolarHBondContact O-N 3.05Å
81N91.6Very high92.5Very high89 Ų8946 Ų4648%0.47626%0.264SS..Hα-helixtrans-99.6-8.1-173.2-62.6-78.1000113.6F77 D83F77-N81 WeakPolarHBondContact CD2-ND2 3.48Å; F77-N81 HydrophobicContact CE1-CB 4.17Å; F77-N81 WeakPolarHBondContact CE2-ND2 3.32Å; F77-N81 HydrophobicContact CZ-CB 4.29Å; F77-N81 WeakPolarHBondContact O-CB 3.4Å; F77-N81 PolarHBondContact O-N 3.44Å; F77-N81 PolarHBondContact O-ND2 2.85Å; N81-D83 PolarHBondContact O-N 2.85Å; N81-D83 VanDerWaalsContact O-N 3.12Å
82H89.1Confident92.3Very high97 Ų9747.4 Ų47.445%0.44927%0.271SS..SBendtrans55.624.9-174.8-57.2-101.3000113.6Y19 Y78Y19-H82 AromaticContact CD1-CE1 3.31Å; Y19-H82 WeakPolarHBondContact CD1-CE1 3.48Å; Y19-H82 AromaticContact CD1-ND1 3.22Å; Y19-H82 WeakPolarHBondContact CD1-ND1 3.27Å; Y19-H82 HydrophobicContact CE1-CB 4.36Å; Y19-H82 AromaticContact CE1-CE1 3.81Å; Y19-H82 AromaticContact CE1-CG 3.91Å; Y19-H82 AromaticContact CE1-ND1 3.21Å; Y19-H82 WeakPolarHBondContact CE1-ND1 3.34Å; Y19-H82 AromaticContact CG-CE1 3.89Å; Y78-H82 WeakPolarHBondContact O-CA 3.4Å; Y78-H82 PolarHBondContact O-N 3.23Å
83D89.4Confident92.1Very high60 Ų6052.5 Ų52.532%0.32129%0.293SS..  trans-141.6149.1-175.4-174.139.1000112.1N81 T166N81-D83 PolarHBondContact O-N 2.85Å; N81-D83 VanDerWaalsContact O-N 3.12Å; D83-T166 VanDerWaalsContact OD1-CB 3.29Å; D83-T166 WeakPolarHBondContact OD1-CB 3.34Å; D83-T166 WeakPolarHBondContact OD1-CG2 3.32Å
84W90.8Very high92Very high9 Ų949.7 Ų49.73%0.03428%0.275CS..  trans-128.290.5178.6-174.4-92.3000111.8L74 Y78 F86 G87 L90 C91 T166 C168 F169L74-W84 HydrophobicContact CB-CH2 3.71Å; L74-W84 HydrophobicContact CB-CZ3 3.91Å; L74-W84 HydrophobicContact CD1-CH2 4.4Å; L74-W84 WeakPolarHBondContact O-CZ3 3.13Å; Y78-W84 HydrophobicContact CD2-CB 4.02Å; Y78-W84 HydrophobicContact CD2-CE3 4.33Å; Y78-W84 HydrophobicContact CE2-CB 4.42Å; Y78-W84 HydrophobicContact CG-CE3 4.39Å; W84-F86 AromaticContact CD2-CD2 3.86Å; W84-F86 HydrophobicContact CD2-CD2 3.86Å; W84-F86 AromaticContact CE2-CD2 3.84Å; W84-F86 AromaticContact CE3-CD2 3.88Å; W84-F86 HydrophobicContact CE3-CD2 3.88Å; W84-F86 HydrophobicContact CE3-CE2 4.39Å; W84-F86 AromaticContact CH2-CD2 3.98Å; W84-F86 HydrophobicContact CH2-CD2 3.98Å; W84-F86 HydrophobicContact CZ2-CB 3.88Å; W84-F86 AromaticContact CZ2-CD2 3.9Å; W84-F86 HydrophobicContact CZ2-CD2 3.9Å; W84-F86 HydrophobicContact CZ2-CG 4.33Å; W84-F86 AromaticContact CZ3-CD2 3.95Å; W84-F86 HydrophobicContact CZ3-CD2 3.95Å; W84-F86 HydrophobicContact CZ3-CE2 4.4Å; W84-F86 PolarHBondContact O-N 3.09Å; W84-G87 PolarHBondContact NE1-O 2.99Å; W84-L90 HydrophobicContact CZ2-CB 4.04Å; W84-L90 HydrophobicContact CZ2-CD2 4.25Å; W84-L90 HydrophobicContact CZ2-CG 4.04Å; W84-C91 HydrophobicContact CD2-CB 4.32Å; W84-C91 HydrophobicContact CZ2-CB 4Å; W84-T166 WeakPolarHBondContact CB-O 3.19Å; W84-T166 PolarHBondContact N-O 2.84Å; W84-C168 HydrophobicContact CB-CB 4.18Å; W84-C168 HydrophobicContact CD2-CB 4.08Å; W84-C168 HydrophobicContact CE3-CB 4.17Å; W84-C168 HydrophobicContact CG-CB 4.08Å; W84-F169 HydrophobicContact CE3-CE2 4.08Å; W84-F169 HydrophobicContact CE3-CZ 4.42Å; W84-F169 HydrophobicContact CH2-CE2 4.31Å; W84-F169 AromaticContact CH2-CZ 3.86Å; W84-F169 HydrophobicContact CH2-CZ 3.86Å; W84-F169 AromaticContact CZ3-CE2 3.64Å; W84-F169 HydrophobicContact CZ3-CE2 3.64Å; W84-F169 AromaticContact CZ3-CZ 3.65Å; W84-F169 HydrophobicContact CZ3-CZ 3.65Å
85P90.3Very high91.8Very high78 Ų7848.3 Ų48.351%0.50627%0.267SS..THydrogen-bonded Turntrans-83.6-7.3-178.632.3-36.4000114F77 G87F77-P85 HydrophobicContact CE1-CG 3.83Å; F77-P85 HydrophobicContact CZ-CG 4.24Å; P85-G87 VanDerWaalsContact C-N 3.28Å; P85-G87 PolarHBondContact O-N 2.8Å
86F90Very high91.8Very high81 Ų8150 Ų5036%0.35527%0.274SS..THydrogen-bonded Turntrans-85.15-169.5-46-77.3000114.9L74 F77 W84 L90L74-F86 HydrophobicContact CD2-CD1 4.18Å; L74-F86 HydrophobicContact CD2-CD2 4.07Å; L74-F86 HydrophobicContact CD2-CE1 4Å; L74-F86 HydrophobicContact CD2-CE2 3.89Å; L74-F86 HydrophobicContact CD2-CG 4.22Å; L74-F86 HydrophobicContact CD2-CZ 3.85Å; F77-F86 HydrophobicContact CB-CE2 4.45Å; F77-F86 AromaticContact CD1-CE2 3.63Å; F77-F86 HydrophobicContact CD1-CE2 3.63Å; F77-F86 AromaticContact CD1-CZ 3.94Å; F77-F86 HydrophobicContact CD1-CZ 3.94Å; F77-F86 HydrophobicContact CE1-CE2 4.13Å; F77-F86 HydrophobicContact CE1-CZ 4.26Å; F77-F86 HydrophobicContact CG-CE2 4.09Å; F77-F86 HydrophobicContact CG-CZ 4.1Å; W84-F86 AromaticContact CD2-CD2 3.86Å; W84-F86 HydrophobicContact CD2-CD2 3.86Å; W84-F86 AromaticContact CE2-CD2 3.84Å; W84-F86 AromaticContact CE3-CD2 3.88Å; W84-F86 HydrophobicContact CE3-CD2 3.88Å; W84-F86 HydrophobicContact CE3-CE2 4.39Å; W84-F86 AromaticContact CH2-CD2 3.98Å; W84-F86 HydrophobicContact CH2-CD2 3.98Å; W84-F86 HydrophobicContact CZ2-CB 3.88Å; W84-F86 AromaticContact CZ2-CD2 3.9Å; W84-F86 HydrophobicContact CZ2-CD2 3.9Å; W84-F86 HydrophobicContact CZ2-CG 4.33Å; W84-F86 AromaticContact CZ3-CD2 3.95Å; W84-F86 HydrophobicContact CZ3-CD2 3.95Å; W84-F86 HydrophobicContact CZ3-CE2 4.4Å; W84-F86 PolarHBondContact O-N 3.09Å; F86-L90 HydrophobicContact CB-CB 4.37Å; F86-L90 HydrophobicContact CB-CD2 3.57Å; F86-L90 HydrophobicContact CG-CD2 4.18Å
87G88.6Confident91.8Very high29 Ų2949.8 Ų49.830%0.29927%0.273SS..  trans81.8160.1177.700000115.1W84 P85 G89 L90 C91W84-G87 PolarHBondContact NE1-O 2.99Å; P85-G87 VanDerWaalsContact C-N 3.28Å; P85-G87 PolarHBondContact O-N 2.8Å; G87-G89 PolarHBondContact O-N 3.06Å; G87-L90 PolarHBondContact O-N 3.22Å; G87-C91 PolarHBondContact O-N 3.43Å
88P85.5Confident91.7Very high74 Ų7446.6 Ų46.648%0.48126%0.259SS..Hα-helixtrans-67-32.7-169.924.9-34.3000113.6C91 M92P88-C91 WeakPolarHBondContact O-CB 3.4Å; P88-C91 PolarHBondContact O-N 3.48Å; P88-M92 WeakPolarHBondContact O-CG 3.33Å; P88-M92 PolarHBondContact O-N 2.87Å
89G88.8Confident91.7Very high54 Ų5447.4 Ų47.456%0.55726%0.262SS*.Hα-helixtrans-62.4-45.4179.200000112.7G87 M92 F93G87-G89 PolarHBondContact O-N 3.06Å; G89-M92 PolarHBondContact O-N 3.29Å; G89-F93 WeakPolarHBondContact O-CB 3.44Å; G89-F93 PolarHBondContact O-N 3.21Å
90L91.5Very high91.8Very high64 Ų6447.3 Ų47.334%0.33526%0.263SS..Hα-helixtrans-69.8-35.4177.9-166.765.2000111.5L74 W84 F86 G87 F93 C94L74-L90 HydrophobicContact CD1-CD1 4.33Å; L74-L90 HydrophobicContact CD1-CD2 3.59Å; L74-L90 HydrophobicContact CD1-CG 4Å; L74-L90 HydrophobicContact CD2-CD2 4.39Å; W84-L90 HydrophobicContact CZ2-CB 4.04Å; W84-L90 HydrophobicContact CZ2-CD2 4.25Å; W84-L90 HydrophobicContact CZ2-CG 4.04Å; F86-L90 HydrophobicContact CB-CB 4.37Å; F86-L90 HydrophobicContact CB-CD2 3.57Å; F86-L90 HydrophobicContact CG-CD2 4.18Å; G87-L90 PolarHBondContact O-N 3.22Å; L90-F93 HydrophobicContact CD1-CD1 4.25Å; L90-F93 PolarHBondContact O-N 3.37Å; L90-C94 WeakPolarHBondContact O-CB 3.44Å; L90-C94 PolarHBondContact O-N 3.41Å; L90-C94 PolarHBondContact O-SG 3.47Å; L90-C94 VanDerWaalsContact O-SG 3.35Å
91C92Very high92Very high6 Ų642.3 Ų42.34%0.04124%0.236CC..Hα-helixtrans-58.5-51.5173.6175.40000111.1W84 G87 P88 F93 C94 F95 C168W84-C91 HydrophobicContact CD2-CB 4.32Å; W84-C91 HydrophobicContact CZ2-CB 4Å; G87-C91 PolarHBondContact O-N 3.43Å; P88-C91 WeakPolarHBondContact O-CB 3.4Å; P88-C91 PolarHBondContact O-N 3.48Å; C91-F93 VanDerWaalsContact C-N 3.35Å; C91-F93 PolarHBondContact O-N 3.21Å; C91-C94 PolarHBondContact O-N 3.44Å; C91-F95 WeakPolarHBondContact O-CB 3.36Å; C91-F95 PolarHBondContact O-N 2.84Å; C91-C168 VanDerWaalsContact CA-SG 3.5Å; C91-C168 HydrophobicContact CB-CB 4.2Å; C91-C168 WeakPolarHBondContact CB-SG 3.46Å; C91-C168 WeakPolarHBondContact SG-CA 3.47Å; C91-C168 WeakPolarHBondContact SG-CB 3.49Å; C91-C168 CovalentContact SG-SG 2.03Å; C91-C168 PolarHBondContact SG-SG 3.33Å
92M91Very high92.2Very high35 Ų3538.1 Ų38.117%0.17221%0.214CC..Hα-helixtrans-63.3-39.9178.8-72.5-64.9-168.100112.2P88 G89 F95 Y96 P153 R156 L172P88-M92 WeakPolarHBondContact O-CG 3.33Å; P88-M92 PolarHBondContact O-N 2.87Å; G89-M92 PolarHBondContact O-N 3.29Å; M92-F95 PolarHBondContact O-N 3.17Å; M92-Y96 VanDerWaalsContact O-CB 3.26Å; M92-Y96 WeakPolarHBondContact O-CB 3.43Å; M92-Y96 PolarHBondContact O-N 2.96Å; M92-P153 HydrophobicContact SD-CB 4.12Å; M92-R156 HydrophobicContact CE-CB 4.13Å; M92-L172 HydrophobicContact CE-CD2 3.26Å; M92-L172 HydrophobicContact SD-CD2 3.58Å; M92-L172 VanDerWaalsContact SD-CD2 3.58Å
93F93.3Very high92.6Very high108 Ų10834.8 Ų34.847%0.47420%0.197SC..Hα-helixtrans-63.8-48.1176.3178.6-108.6000111.9G89 L90 C91 F95 Y96 L97G89-F93 WeakPolarHBondContact O-CB 3.44Å; G89-F93 PolarHBondContact O-N 3.21Å; L90-F93 HydrophobicContact CD1-CD1 4.25Å; L90-F93 PolarHBondContact O-N 3.37Å; C91-F93 VanDerWaalsContact C-N 3.35Å; C91-F93 PolarHBondContact O-N 3.21Å; F93-F95 VanDerWaalsContact C-N 3.3Å; F93-F95 PolarHBondContact O-N 2.94Å; F93-Y96 WeakPolarHBondContact O-CB 3.28Å; F93-Y96 PolarHBondContact O-N 3.39Å; F93-L97 HydrophobicContact CD1-CD1 3.97Å; F93-L97 HydrophobicContact CD1-CG 4.44Å; F93-L97 HydrophobicContact CE1-CD1 3.4Å; F93-L97 HydrophobicContact CE1-CG 4.06Å; F93-L97 HydrophobicContact CE2-CD1 4.39Å; F93-L97 HydrophobicContact CE2-CD2 4.3Å; F93-L97 HydrophobicContact CE2-CG 4.21Å; F93-L97 HydrophobicContact CZ-CD1 3.64Å; F93-L97 HydrophobicContact CZ-CD2 4.07Å; F93-L97 HydrophobicContact CZ-CG 3.93Å; F93-L97 WeakPolarHBondContact O-CG 3.38Å; F93-L97 PolarHBondContact O-N 2.93Å
94C94.8Very high93Very high2 Ų231.9 Ų31.91%0.01418%0.182CC..Hα-helixtrans-63.2-38.1176.1-70.70000111.4R75 L90 C91 K98 F169R75-C94 PolarHBondContact NH2-O 2.82Å; L90-C94 WeakPolarHBondContact O-CB 3.44Å; L90-C94 PolarHBondContact O-N 3.41Å; L90-C94 PolarHBondContact O-SG 3.47Å; L90-C94 VanDerWaalsContact O-SG 3.35Å; C91-C94 PolarHBondContact O-N 3.44Å; C94-K98 PolarHBondContact O-N 3.48Å; C94-F169 HydrophobicContact CB-CE1 3.55Å; C94-F169 HydrophobicContact CB-CZ 3.79Å
95F92.6Very high93.2Very high11 Ų1131.5 Ų31.55%0.04818%0.18CC..Hα-helixtrans-62.1-48174.2177.6-94.3000111.2C91 M92 F93 L97 K98 Y99 F152 P153 R156 F169C91-F95 WeakPolarHBondContact O-CB 3.36Å; C91-F95 PolarHBondContact O-N 2.84Å; M92-F95 PolarHBondContact O-N 3.17Å; F93-F95 VanDerWaalsContact C-N 3.3Å; F93-F95 PolarHBondContact O-N 2.94Å; F95-L97 PolarHBondContact O-N 3.07Å; F95-K98 VanDerWaalsContact O-CB 3.28Å; F95-K98 WeakPolarHBondContact O-CB 3.33Å; F95-K98 PolarHBondContact O-N 3.42Å; F95-Y99 HydrophobicContact CD1-CD2 4.42Å; F95-Y99 HydrophobicContact CD1-CE2 4.25Å; F95-Y99 HydrophobicContact CD2-CE2 4.25Å; F95-Y99 HydrophobicContact CE1-CD2 4.12Å; F95-Y99 AromaticContact CE1-CE2 3.69Å; F95-Y99 HydrophobicContact CE1-CE2 3.69Å; F95-Y99 AromaticContact CE2-CE2 3.71Å; F95-Y99 HydrophobicContact CE2-CE2 3.71Å; F95-Y99 HydrophobicContact CZ-CD2 4.27Å; F95-Y99 AromaticContact CZ-CE2 3.39Å; F95-Y99 HydrophobicContact CZ-CE2 3.39Å; F95-Y99 WeakPolarHBondContact O-CD2 3.49Å; F95-F152 HydrophobicContact CE1-CB 3.94Å; F95-P153 HydrophobicContact CD1-CG 4.12Å; F95-R156 HydrophobicContact CE1-CG 4.11Å; F95-R156 HydrophobicContact CZ-CG 4.03Å; F95-F169 HydrophobicContact CB-CD1 4.09Å; F95-F169 HydrophobicContact CB-CE1 4.4Å; F95-F169 HydrophobicContact CD2-CD1 4.42Å
96Y94.8Very high93.5Very high39 Ų3927.9 Ų27.915%0.15316%0.157CC..Hα-helixtrans-57.3-46.5176.4170.4-108.3000112.5M92 F93 K98 Y99 V100 C146 C149 V150 P153M92-Y96 VanDerWaalsContact O-CB 3.26Å; M92-Y96 WeakPolarHBondContact O-CB 3.43Å; M92-Y96 PolarHBondContact O-N 2.96Å; F93-Y96 WeakPolarHBondContact O-CB 3.28Å; F93-Y96 PolarHBondContact O-N 3.39Å; Y96-K98 PolarHBondContact O-N 2.99Å; Y96-K98 VanDerWaalsContact O-N 3.17Å; Y96-Y99 PolarHBondContact O-N 3.28Å; Y96-V100 HydrophobicContact CD1-CG2 3.96Å; Y96-V100 HydrophobicContact CD2-CG2 3.94Å; Y96-V100 HydrophobicContact CE1-CG2 3.5Å; Y96-V100 VanDerWaalsContact CE1-CG2 3.5Å; Y96-V100 HydrophobicContact CE2-CG2 3.47Å; Y96-V100 VanDerWaalsContact CE2-CG2 3.47Å; Y96-V100 HydrophobicContact CG-CG2 4.17Å; Y96-V100 PolarHBondContact O-N 2.98Å; Y96-C146 WeakPolarHBondContact OH-CA 3.47Å; Y96-C146 WeakPolarHBondContact OH-CB 3.4Å; Y96-C146 PolarHBondContact OH-O 3.42Å; Y96-C146 VanDerWaalsContact OH-O 3.05Å; Y96-C149 HydrophobicContact CD2-CB 4.04Å; Y96-C149 HydrophobicContact CE2-CB 3.57Å; Y96-V150 HydrophobicContact CE2-CG2 3.87Å; Y96-P153 HydrophobicContact CD2-CG 4.09Å; Y96-P153 HydrophobicContact CG-CG 4.37Å
97L96.1Very high93.8Very high17 Ų1727.1 Ų27.19%0.08915%0.152CC..Hα-helixtrans-56.9-32.1178.8-77.5-179.3000113.1L67 F93 F95 Y99 N101L67-L97 HydrophobicContact CB-CD2 4.35Å; F93-L97 HydrophobicContact CD1-CD1 3.97Å; F93-L97 HydrophobicContact CD1-CG 4.44Å; F93-L97 HydrophobicContact CE1-CD1 3.4Å; F93-L97 HydrophobicContact CE1-CG 4.06Å; F93-L97 HydrophobicContact CE2-CD1 4.39Å; F93-L97 HydrophobicContact CE2-CD2 4.3Å; F93-L97 HydrophobicContact CE2-CG 4.21Å; F93-L97 HydrophobicContact CZ-CD1 3.64Å; F93-L97 HydrophobicContact CZ-CD2 4.07Å; F93-L97 HydrophobicContact CZ-CG 3.93Å; F93-L97 WeakPolarHBondContact O-CG 3.38Å; F93-L97 PolarHBondContact O-N 2.93Å; F95-L97 PolarHBondContact O-N 3.07Å; L97-Y99 PolarHBondContact O-N 3.24Å; L97-N101 WeakPolarHBondContact O-CB 3.34Å; L97-N101 PolarHBondContact O-N 2.94Å
98K94.1Very high94.1Very high9 Ų925.8 Ų25.84%0.03914%0.138CC..Hα-helixtrans-57.3-50175.1-177.145.6-178.3166.80111.7Q68 R75 C94 F95 Y96 M102 S282Q68-K98 VanDerWaalsContact OE1-CA 3.26Å; R75-K98 VanDerWaalsContact NH2-CB 3.31Å; C94-K98 PolarHBondContact O-N 3.48Å; F95-K98 VanDerWaalsContact O-CB 3.28Å; F95-K98 WeakPolarHBondContact O-CB 3.33Å; F95-K98 PolarHBondContact O-N 3.42Å; Y96-K98 PolarHBondContact O-N 2.99Å; Y96-K98 VanDerWaalsContact O-N 3.17Å; K98-M102 PolarHBondContact O-N 3.04Å; K98-M102 VanDerWaalsContact O-N 3.09Å; K98-S282 PolarHBondContact NZ-OG 2.95Å
99Y94.3Very high94.4Very high19 Ų1922.3 Ų22.38%0.07512%0.115CC..Hα-helixtrans-74.7-40-175.9-70.2-83.7000111.1F95 Y96 L97 N101 M102 Y103 F152 Y246F95-Y99 HydrophobicContact CD1-CD2 4.42Å; F95-Y99 HydrophobicContact CD1-CE2 4.25Å; F95-Y99 HydrophobicContact CD2-CE2 4.25Å; F95-Y99 HydrophobicContact CE1-CD2 4.12Å; F95-Y99 AromaticContact CE1-CE2 3.69Å; F95-Y99 HydrophobicContact CE1-CE2 3.69Å; F95-Y99 AromaticContact CE2-CE2 3.71Å; F95-Y99 HydrophobicContact CE2-CE2 3.71Å; F95-Y99 HydrophobicContact CZ-CD2 4.27Å; F95-Y99 AromaticContact CZ-CE2 3.39Å; F95-Y99 HydrophobicContact CZ-CE2 3.39Å; F95-Y99 WeakPolarHBondContact O-CD2 3.49Å; Y96-Y99 PolarHBondContact O-N 3.28Å; L97-Y99 PolarHBondContact O-N 3.24Å; Y99-N101 VanDerWaalsContact C-N 3.32Å; Y99-N101 PolarHBondContact O-N 3.28Å; Y99-M102 HydrophobicContact CD1-CE 4.23Å; Y99-M102 PolarHBondContact O-N 2.95Å; Y99-Y103 HydrophobicContact CD1-CE2 4.2Å; Y99-Y103 VanDerWaalsContact O-CD2 3.24Å; Y99-Y103 WeakPolarHBondContact O-CD2 3.38Å; Y99-Y103 PolarHBondContact O-N 3.37Å; Y99-F152 HydrophobicContact CD1-CD1 4.03Å; Y99-F152 AromaticContact CD1-CD2 3.97Å; Y99-F152 HydrophobicContact CD1-CD2 3.97Å; Y99-F152 HydrophobicContact CD1-CE1 4.02Å; Y99-F152 AromaticContact CD1-CE2 3.99Å; Y99-F152 HydrophobicContact CD1-CE2 3.99Å; Y99-F152 HydrophobicContact CD1-CG 4.02Å; Y99-F152 HydrophobicContact CD1-CZ 4.01Å; Y99-F152 HydrophobicContact CD2-CB 4.17Å; Y99-F152 HydrophobicContact CD2-CG 4.27Å; Y99-F152 AromaticContact CE1-CD1 3.91Å; Y99-F152 HydrophobicContact CE1-CD1 3.91Å; Y99-F152 AromaticContact CE1-CE1 3.96Å; Y99-F152 HydrophobicContact CE1-CE1 3.96Å; Y99-F152 HydrophobicContact CE1-CG 4.28Å; Y99-F152 HydrophobicContact CE1-CZ 4.38Å; Y99-F152 HydrophobicContact CE2-CB 4.41Å; Y99-F152 HydrophobicContact CG-CB 4.35Å; Y99-F152 HydrophobicContact CG-CD1 4.44Å; Y99-F152 AromaticContact CG-CD2 3.88Å; Y99-F152 HydrophobicContact CG-CD2 3.88Å; Y99-F152 HydrophobicContact CG-CE2 4.27Å; Y99-F152 AromaticContact CG-CG 3.99Å; Y99-F152 HydrophobicContact CG-CG 3.99Å; Y99-Y246 WeakPolarHBondContact CE1-OH 3.47Å
100V97Very high94.7Very high5 Ų520.5 Ų20.53%0.039%0.093CC..Hα-helixtrans-56.1-48.4173.2172.40000110.8Y96 A104 W142 C149Y96-V100 HydrophobicContact CD1-CG2 3.96Å; Y96-V100 HydrophobicContact CD2-CG2 3.94Å; Y96-V100 HydrophobicContact CE1-CG2 3.5Å; Y96-V100 VanDerWaalsContact CE1-CG2 3.5Å; Y96-V100 HydrophobicContact CE2-CG2 3.47Å; Y96-V100 VanDerWaalsContact CE2-CG2 3.47Å; Y96-V100 HydrophobicContact CG-CG2 4.17Å; Y96-V100 PolarHBondContact O-N 2.98Å; V100-A104 WeakPolarHBondContact O-CB 3.24Å; V100-A104 PolarHBondContact O-N 3.41Å; V100-W142 HydrophobicContact CG1-CE3 4.49Å; V100-W142 HydrophobicContact CG1-CZ3 3.71Å; V100-C149 HydrophobicContact CG2-CB 3.71Å
101N96.9Very high94.7Very high2 Ų218.1 Ų18.11%0.0118%0.082CC..Hα-helixtrans-59.2-51.2176.3166.8-99.3000111.7A64 D65 Q68 L97 Y99 Y103 A104 S105A64-N101 VanDerWaalsContact C-ND2 3.26Å; A64-N101 PolarHBondContact O-ND2 3.45Å; D65-N101 WeakPolarHBondContact CA-ND2 3.28Å; D65-N101 PolarHBondContact N-ND2 3Å; D65-N101 PolarHBondContact OD1-ND2 2.72Å; Q68-N101 HydrophobicContact CB-CB 3.58Å; Q68-N101 VanDerWaalsContact CB-CG 3.47Å; Q68-N101 HydrophobicContact CG-CB 4.11Å; L97-N101 WeakPolarHBondContact O-CB 3.34Å; L97-N101 PolarHBondContact O-N 2.94Å; Y99-N101 VanDerWaalsContact C-N 3.32Å; Y99-N101 PolarHBondContact O-N 3.28Å; N101-Y103 PolarHBondContact O-N 3.23Å; N101-A104 PolarHBondContact O-N 2.92Å; N101-S105 WeakPolarHBondContact O-CB 3.37Å; N101-S105 PolarHBondContact O-N 3.22Å; N101-S105 PolarHBondContact O-OG 3.41Å
102M95.8Very high94.6Very high1 Ų118.1 Ų18.11%0.0058%0.082CC..Hα-helixtrans-55.1-51.3-179.1-173.4179.281.200112.5K98 Y99 S105 I106 F243 Y246K98-M102 PolarHBondContact O-N 3.04Å; K98-M102 VanDerWaalsContact O-N 3.09Å; Y99-M102 HydrophobicContact CD1-CE 4.23Å; Y99-M102 PolarHBondContact O-N 2.95Å; M102-S105 PolarHBondContact O-N 3.43Å; M102-I106 HydrophobicContact CG-CD1 4.31Å; M102-I106 WeakPolarHBondContact O-CG1 3.14Å; M102-I106 PolarHBondContact O-N 3.01Å; M102-F243 HydrophobicContact CG-CD1 3.76Å; M102-F243 HydrophobicContact CG-CE1 3.81Å; M102-Y246 HydrophobicContact CE-CD1 3.97Å; M102-Y246 HydrophobicContact CE-CE1 3.52Å; M102-Y246 HydrophobicContact SD-CD1 3.5Å; M102-Y246 VanDerWaalsContact SD-CD1 3.5Å; M102-Y246 HydrophobicContact SD-CE1 3.53Å; M102-Y246 VanDerWaalsContact SD-CE1 3.53Å; M102-Y246 HydrophobicContact SD-CG 4.24Å
103Y96.8Very high94.5Very high27 Ų2716.4 Ų16.411%0.1067%0.073CC..Hα-helixtrans-75-33.7-178-71.5-68000112.9Y99 N101 I106 Y107 F152 H247Y99-Y103 HydrophobicContact CD1-CE2 4.2Å; Y99-Y103 VanDerWaalsContact O-CD2 3.24Å; Y99-Y103 WeakPolarHBondContact O-CD2 3.38Å; Y99-Y103 PolarHBondContact O-N 3.37Å; N101-Y103 PolarHBondContact O-N 3.23Å; Y103-I106 HydrophobicContact CD1-CD1 4.33Å; Y103-Y107 VanDerWaalsContact O-CB 3.29Å; Y103-Y107 WeakPolarHBondContact O-CB 3.35Å; Y103-Y107 PolarHBondContact O-N 2.73Å; Y103-F152 HydrophobicContact CD2-CE2 4.27Å; Y103-F152 AromaticContact CE2-CE2 3.51Å; Y103-F152 HydrophobicContact CE2-CE2 3.51Å; Y103-F152 AromaticContact CE2-CZ 3.59Å; Y103-F152 HydrophobicContact CE2-CZ 3.59Å; Y103-F152 AromaticContact CZ-CZ 3.99Å; Y103-H247 AromaticContact CE1-CE1 3.9Å
104A97.2Very high94.4Very high0 Ų013.3 Ų13.30%06%0.063CC..Hα-helixtrans-61.1-45170.600000111A64 V100 N101 Y107 F108 W142 I145A64-A104 HydrophobicContact CB-CB 3.83Å; V100-A104 WeakPolarHBondContact O-CB 3.24Å; V100-A104 PolarHBondContact O-N 3.41Å; N101-A104 PolarHBondContact O-N 2.92Å; A104-Y107 PolarHBondContact O-N 3.48Å; A104-F108 HydrophobicContact CB-CD2 4.24Å; A104-F108 HydrophobicContact CB-CE2 4.11Å; A104-F108 WeakPolarHBondContact O-CB 3.4Å; A104-F108 WeakPolarHBondContact O-CD2 3.34Å; A104-F108 PolarHBondContact O-N 3.24Å; A104-W142 HydrophobicContact CB-CH2 4.17Å; A104-W142 HydrophobicContact CB-CZ3 4.21Å; A104-I145 HydrophobicContact CB-CD1 4.43Å; A104-I145 HydrophobicContact CB-CG2 4.46Å
105S96Very high94Very high0 Ų016.3 Ų16.30%07%0.074CC..Hα-helixtrans-63-47.7178.3-63.80000111.8L61 N101 M102 Y107 F108 L109 N284L61-S105 VanDerWaalsContact CD1-CA 3.46Å; L61-S105 WeakPolarHBondContact CD1-OG 3.13Å; N101-S105 WeakPolarHBondContact O-CB 3.37Å; N101-S105 PolarHBondContact O-N 3.22Å; N101-S105 PolarHBondContact O-OG 3.41Å; M102-S105 PolarHBondContact O-N 3.43Å; S105-Y107 VanDerWaalsContact C-N 3.33Å; S105-Y107 PolarHBondContact O-N 3.03Å; S105-F108 PolarHBondContact O-N 2.93Å; S105-L109 VanDerWaalsContact O-CB 3.32Å; S105-L109 WeakPolarHBondContact O-CB 3.39Å; S105-L109 WeakPolarHBondContact O-CG 3.4Å; S105-L109 PolarHBondContact O-N 3.19Å; S105-N284 WeakPolarHBondContact CB-ND2 3.44Å; S105-N284 PolarHBondContact OG-ND2 3.34Å
106I95.9Very high93.6Very high3 Ų318.7 Ų18.72%0.0158%0.083CC..Hα-helixtrans-52.2-52.2172.3-74.9167.5000111M102 Y103 L109 V110 F194 P197 F239 F243M102-I106 HydrophobicContact CG-CD1 4.31Å; M102-I106 WeakPolarHBondContact O-CG1 3.14Å; M102-I106 PolarHBondContact O-N 3.01Å; Y103-I106 HydrophobicContact CD1-CD1 4.33Å; I106-L109 PolarHBondContact O-N 2.97Å; I106-V110 VanDerWaalsContact O-CG2 3.31Å; I106-V110 WeakPolarHBondContact O-CG2 3.42Å; I106-V110 PolarHBondContact O-N 3Å; I106-F194 HydrophobicContact CD1-CD2 4.39Å; I106-P197 HydrophobicContact CG2-CB 3.63Å; I106-P197 HydrophobicContact CG2-CG 3.73Å; I106-F239 HydrophobicContact CB-CE2 4.13Å; I106-F239 HydrophobicContact CG1-CD2 4.29Å; I106-F239 HydrophobicContact CG1-CE2 3.78Å; I106-F239 HydrophobicContact CG2-CE2 3.77Å; I106-F243 HydrophobicContact CD1-CB 4.18Å; I106-F243 HydrophobicContact CD1-CD1 4.19Å; I106-F243 HydrophobicContact CD1-CD2 4.35Å; I106-F243 HydrophobicContact CD1-CG 3.98Å; I106-F243 HydrophobicContact CG1-CB 4.31Å; I106-F243 HydrophobicContact CG1-CD1 4.16Å; I106-F243 HydrophobicContact CG1-CD2 3.61Å; I106-F243 HydrophobicContact CG1-CE1 4.41Å; I106-F243 HydrophobicContact CG1-CE2 3.92Å; I106-F243 HydrophobicContact CG1-CG 3.76Å; I106-F243 HydrophobicContact CG1-CZ 4.3Å
107Y96.6Very high93.1Very high65 Ų6517.7 Ų17.726%0.2558%0.079SC..Hα-helixtrans-61.4-49.5-178175.3-99.3000112.5Y103 A104 S105 L109 V110 C111 I137 I145Y103-Y107 VanDerWaalsContact O-CB 3.29Å; Y103-Y107 WeakPolarHBondContact O-CB 3.35Å; Y103-Y107 PolarHBondContact O-N 2.73Å; A104-Y107 PolarHBondContact O-N 3.48Å; S105-Y107 VanDerWaalsContact C-N 3.33Å; S105-Y107 PolarHBondContact O-N 3.03Å; Y107-L109 VanDerWaalsContact C-N 3.35Å; Y107-L109 PolarHBondContact O-N 2.85Å; Y107-V110 WeakPolarHBondContact O-CB 3.36Å; Y107-V110 PolarHBondContact O-N 3.08Å; Y107-C111 VanDerWaalsContact CZ-SG 3.59Å; Y107-C111 PolarHBondContact O-N 3.3Å; Y107-C111 PolarHBondContact O-SG 3.12Å; Y107-C111 VanDerWaalsContact O-SG 3.36Å; Y107-I137 WeakPolarHBondContact OH-CG2 3.46Å; Y107-I137 PolarHBondContact OH-O 3.1Å; Y107-I145 VanDerWaalsContact CB-CD1 3.49Å; Y107-I145 HydrophobicContact CD1-CD1 3.97Å; Y107-I145 HydrophobicContact CD2-CD1 4.4Å; Y107-I145 HydrophobicContact CG-CD1 3.71Å
108F94.9Very high92.5Very high0 Ų021.9 Ų21.90%09%0.094CC..Hα-helixtrans-68.8-33.6-178.3-70.5-56.9000112.1F57 N60 L61 A104 S105 V110 C111 I112 W142F57-F108 HydrophobicContact CB-CD1 4.17Å; F57-F108 AromaticContact CD1-CD1 3.95Å; F57-F108 HydrophobicContact CD1-CD1 3.95Å; F57-F108 HydrophobicContact CD1-CE1 4.23Å; F57-F108 HydrophobicContact CG-CD1 4.48Å; N60-F108 HydrophobicContact CB-CD1 4.02Å; N60-F108 HydrophobicContact CB-CD2 3.99Å; N60-F108 HydrophobicContact CB-CE1 3.56Å; N60-F108 HydrophobicContact CB-CE2 3.55Å; N60-F108 HydrophobicContact CB-CG 4.25Å; N60-F108 HydrophobicContact CB-CZ 3.34Å; L61-F108 HydrophobicContact CB-CB 4.16Å; L61-F108 HydrophobicContact CD1-CB 4.29Å; A104-F108 HydrophobicContact CB-CD2 4.24Å; A104-F108 HydrophobicContact CB-CE2 4.11Å; A104-F108 WeakPolarHBondContact O-CB 3.4Å; A104-F108 WeakPolarHBondContact O-CD2 3.34Å; A104-F108 PolarHBondContact O-N 3.24Å; S105-F108 PolarHBondContact O-N 2.93Å; F108-V110 VanDerWaalsContact C-N 3.35Å; F108-C111 PolarHBondContact O-N 3.19Å; F108-I112 WeakPolarHBondContact O-CB 3.24Å; F108-I112 WeakPolarHBondContact O-CD1 3.32Å; F108-I112 WeakPolarHBondContact O-CG1 3.43Å; F108-I112 PolarHBondContact O-N 3.42Å; F108-W142 AromaticContact CE2-CE2 3.86Å; F108-W142 AromaticContact CE2-CZ2 3.97Å; F108-W142 HydrophobicContact CE2-CZ2 3.97Å; F108-W142 AromaticContact CE2-NE1 3.91Å; F108-W142 AromaticContact CZ-CD1 3.91Å; F108-W142 AromaticContact CZ-CE2 3.97Å; F108-W142 HydrophobicContact CZ-CG 4.49Å; F108-W142 AromaticContact CZ-NE1 3.56Å
109L92.4Very high91.7Very high1 Ų126 Ų261%0.00511%0.112CC..Hα-helixtrans-62.9-39.9171.8-72.1172.9000112.2L61 S105 I106 Y107 I112 S113 C235 V238 F239 F243 I291L61-L109 HydrophobicContact CD2-CD2 4.05Å; L61-L109 HydrophobicContact CD2-CG 4.47Å; S105-L109 VanDerWaalsContact O-CB 3.32Å; S105-L109 WeakPolarHBondContact O-CB 3.39Å; S105-L109 WeakPolarHBondContact O-CG 3.4Å; S105-L109 PolarHBondContact O-N 3.19Å; I106-L109 PolarHBondContact O-N 2.97Å; Y107-L109 VanDerWaalsContact C-N 3.35Å; Y107-L109 PolarHBondContact O-N 2.85Å; L109-I112 PolarHBondContact O-N 3.32Å; L109-S113 WeakPolarHBondContact O-CB 3.17Å; L109-S113 PolarHBondContact O-N 3.27Å; L109-S113 PolarHBondContact O-OG 3.46Å; L109-C235 HydrophobicContact CD2-CB 4.28Å; L109-V238 HydrophobicContact CD1-CG1 4.43Å; L109-F239 HydrophobicContact CD1-CB 4.45Å; L109-F243 HydrophobicContact CD1-CE2 3.82Å; L109-I291 HydrophobicContact CD2-CD1 3.34Å
110V93.9Very high90.8Very high16 Ų1625.8 Ų25.810%0.09711%0.112CC..Hα-helixtrans-62.2-50.5171.91740000110.2I106 Y107 F108 I112 S113 V114 P197 I200 V201I106-V110 VanDerWaalsContact O-CG2 3.31Å; I106-V110 WeakPolarHBondContact O-CG2 3.42Å; I106-V110 PolarHBondContact O-N 3Å; Y107-V110 WeakPolarHBondContact O-CB 3.36Å; Y107-V110 PolarHBondContact O-N 3.08Å; F108-V110 VanDerWaalsContact C-N 3.35Å; V110-I112 VanDerWaalsContact C-N 3.3Å; V110-I112 PolarHBondContact O-N 3.43Å; V110-S113 PolarHBondContact O-N 3.08Å; V110-S113 VanDerWaalsContact O-N 3.13Å; V110-V114 HydrophobicContact CG1-CG2 4.09Å; V110-V114 WeakPolarHBondContact O-CB 3.42Å; V110-V114 WeakPolarHBondContact O-CG2 3.38Å; V110-V114 PolarHBondContact O-N 3.31Å; V110-P197 HydrophobicContact CG2-CB 3.69Å; V110-I200 HydrophobicContact CG1-CB 4.26Å; V110-I200 HydrophobicContact CG1-CD1 4.29Å; V110-I200 HydrophobicContact CG1-CG2 3.74Å; V110-V201 HydrophobicContact CG2-CG2 3.87Å
111C92.8Very high89.9Confident15 Ų1528 Ų2810%0.10112%0.123CC..Hα-helixtrans-57.5-42.3178.9-68.60000112.2F57 Y107 F108 R115F57-C111 HydrophobicContact CB-CB 4.43Å; F57-C111 HydrophobicContact CD1-CB 3.85Å; F57-C111 HydrophobicContact CD2-CB 3.74Å; F57-C111 HydrophobicContact CE1-CB 3.97Å; F57-C111 HydrophobicContact CE2-CB 3.86Å; F57-C111 HydrophobicContact CG-CB 3.74Å; F57-C111 HydrophobicContact CZ-CB 3.98Å; Y107-C111 VanDerWaalsContact CZ-SG 3.59Å; Y107-C111 PolarHBondContact O-N 3.3Å; Y107-C111 PolarHBondContact O-SG 3.12Å; Y107-C111 VanDerWaalsContact O-SG 3.36Å; F108-C111 PolarHBondContact O-N 3.19Å; C111-R115 WeakPolarHBondContact O-CB 3.5Å; C111-R115 PolarHBondContact O-N 2.95Å
112I89.4Confident88.8Confident5 Ų532.9 Ų32.93%0.02614%0.142CC..Hα-helixtrans-61.6-48.7175.4-70.6164.2000110.2F57 M58 L61 F108 L109 V110 R115 R116 M231F57-I112 HydrophobicContact CB-CD1 4.3Å; F57-I112 HydrophobicContact CB-CG1 3.67Å; M58-I112 HydrophobicContact CG-CD1 3.72Å; M58-I112 HydrophobicContact CG-CG1 4.25Å; L61-I112 HydrophobicContact CD2-CD1 4.08Å; F108-I112 WeakPolarHBondContact O-CB 3.24Å; F108-I112 WeakPolarHBondContact O-CD1 3.32Å; F108-I112 WeakPolarHBondContact O-CG1 3.43Å; F108-I112 PolarHBondContact O-N 3.42Å; L109-I112 PolarHBondContact O-N 3.32Å; V110-I112 VanDerWaalsContact C-N 3.3Å; V110-I112 PolarHBondContact O-N 3.43Å; I112-R115 PolarHBondContact O-N 3.37Å; I112-R116 WeakPolarHBondContact O-CB 3.31Å; I112-R116 WeakPolarHBondContact O-CG 3.33Å; I112-R116 PolarHBondContact O-N 3.09Å; I112-R116 VanDerWaalsContact O-N 3.1Å; I112-M231 HydrophobicContact CG2-CE 3.37Å
113S89.4Confident87.4Confident0 Ų036 Ų360%016%0.162CC..Hα-helixtrans-62.3-46.6-179-59.40000111.8L109 V110 R116 F117L109-S113 WeakPolarHBondContact O-CB 3.17Å; L109-S113 PolarHBondContact O-N 3.27Å; L109-S113 PolarHBondContact O-OG 3.46Å; V110-S113 PolarHBondContact O-N 3.08Å; V110-S113 VanDerWaalsContact O-N 3.13Å; S113-R116 PolarHBondContact O-N 2.96Å; S113-F117 WeakPolarHBondContact O-CB 3.44Å; S113-F117 PolarHBondContact O-N 3.42Å
114V90.1Very high85.5Confident43 Ų4344.3 Ų44.326%0.26120%0.199SC..Hα-helixtrans-63.2-50.5177.2172.70000110.4V110 R116 F117 W118 I200V110-V114 HydrophobicContact CG1-CG2 4.09Å; V110-V114 WeakPolarHBondContact O-CB 3.42Å; V110-V114 WeakPolarHBondContact O-CG2 3.38Å; V110-V114 PolarHBondContact O-N 3.31Å; V114-R116 PolarHBondContact O-N 3.21Å; V114-R116 VanDerWaalsContact O-N 3.12Å; V114-F117 WeakPolarHBondContact O-CB 3.43Å; V114-F117 PolarHBondContact O-N 2.87Å; V114-W118 PolarHBondContact O-N 3.24Å; V114-I200 HydrophobicContact CG2-CG2 3.56Å
115R86.1Confident83.5Confident64 Ų6454.2 Ų54.224%0.24224%0.236CC..Hα-helixtrans-54.9-38-179.9-178.365-179.2-153.89.2111.5F57 C111 I112 F119 C129 D134F57-R115 HydrophobicContact CE2-CB 4.34Å; C111-R115 WeakPolarHBondContact O-CB 3.5Å; C111-R115 PolarHBondContact O-N 2.95Å; I112-R115 PolarHBondContact O-N 3.37Å; R115-F119 WeakPolarHBondContact O-CB 3.35Å; R115-F119 PolarHBondContact O-N 3.04Å; R115-C129 PolarHBondContact NH1-SG 2.96Å; R115-D134 IonicContact CZ-OD1 2.98Å; R115-D134 IonicContact CZ-OD2 3.76Å; R115-D134 IonicContact NE-OD2 3.82Å; R115-D134 IonicContact NH1-OD1 2.93Å; R115-D134 PolarHBondContact NH1-OD1 2.94Å; R115-D134 IonicContact NH1-OD2 3.97Å; R115-D134 PolarHBondContact NH1-OD2 3.46Å; R115-D134 IonicContact NH2-OD2 2.87Å
116R84.2Confident81.4Confident61 Ų6156.5 Ų56.523%0.2325%0.247CC..Hα-helixtrans-79.9-37.8-176.8-68.6-99.2-168.8-142.214112.5I112 S113 V114 W118 F119 L120 M231 I232 S295I112-R116 WeakPolarHBondContact O-CB 3.31Å; I112-R116 WeakPolarHBondContact O-CG 3.33Å; I112-R116 PolarHBondContact O-N 3.09Å; I112-R116 VanDerWaalsContact O-N 3.1Å; S113-R116 PolarHBondContact O-N 2.96Å; V114-R116 PolarHBondContact O-N 3.21Å; V114-R116 VanDerWaalsContact O-N 3.12Å; R116-W118 VanDerWaalsContact C-N 3.34Å; R116-F119 PolarHBondContact O-N 3.24Å; R116-L120 WeakPolarHBondContact O-CB 3.37Å; R116-L120 PolarHBondContact O-N 3.2Å; R116-M231 HydrophobicContact CB-CE 3.94Å; R116-M231 HydrophobicContact CG-CE 3.25Å; R116-M231 HydrophobicContact CG-SD 4.2Å; R116-M231 VanDerWaalsContact NE-CE 3.31Å; R116-M231 PolarHBondContact NE-SD 3.38Å; R116-I232 HydrophobicContact CB-CD1 4.16Å; R116-I232 HydrophobicContact CB-CG1 4.12Å; R116-S295 PolarHBondContact NH2-O 3.45Å; R116-S295 PolarHBondContact NH2-OG 2.85Å
117F84.4Confident79.3Confident18 Ų1864.8 Ų64.88%0.07929%0.285CS..Hα-helixtrans-56.2-49168.1169.2-100.7000111.3S113 V114 L120 M121 C204 K207 I232S113-F117 WeakPolarHBondContact O-CB 3.44Å; S113-F117 PolarHBondContact O-N 3.42Å; V114-F117 WeakPolarHBondContact O-CB 3.43Å; V114-F117 PolarHBondContact O-N 2.87Å; F117-L120 PolarHBondContact O-N 3.35Å; F117-M121 HydrophobicContact CD2-CE 4.04Å; F117-M121 HydrophobicContact CD2-CG 4.02Å; F117-M121 HydrophobicContact CE1-CG 4.43Å; F117-M121 HydrophobicContact CE2-CE 3.55Å; F117-M121 HydrophobicContact CE2-CG 3.54Å; F117-M121 HydrophobicContact CE2-SD 4.39Å; F117-M121 HydrophobicContact CZ-CE 4.5Å; F117-M121 HydrophobicContact CZ-CG 3.78Å; F117-M121 WeakPolarHBondContact O-CG 3.46Å; F117-M121 PolarHBondContact O-N 3.29Å; F117-C204 HydrophobicContact CB-CB 4.11Å; F117-C204 HydrophobicContact CG-CB 4.3Å; F117-K207 HydrophobicContact CD2-CB 4.33Å; F117-K207 HydrophobicContact CE2-CB 3.5Å; F117-K207 VanDerWaalsContact CE2-CB 3.5Å; F117-K207 HydrophobicContact CE2-CG 4.35Å; F117-K207 HydrophobicContact CZ-CB 4.19Å; F117-I232 HydrophobicContact CB-CD1 4.4Å
118W83.4Confident77Confident106 Ų10668.2 Ų68.240%0.40231%0.308SS..Hα-helixtrans-65.8-43.3179.5-83.179.5000113.1V114 R116 L120 M121 Y122 F126V114-W118 PolarHBondContact O-N 3.24Å; R116-W118 VanDerWaalsContact C-N 3.34Å; W118-L120 PolarHBondContact O-N 3.26Å; W118-M121 PolarHBondContact O-N 2.95Å; W118-Y122 HydrophobicContact CD2-CD2 4.31Å; W118-Y122 AromaticContact CE3-CD2 3.7Å; W118-Y122 HydrophobicContact CE3-CD2 3.7Å; W118-Y122 HydrophobicContact CE3-CE2 4.2Å; W118-Y122 HydrophobicContact CZ3-CD2 4.17Å; W118-Y122 HydrophobicContact CZ3-CE2 4.41Å; W118-Y122 PolarHBondContact O-N 3.21Å; W118-F126 HydrophobicContact CB-CZ 4.44Å; W118-F126 HydrophobicContact CD2-CE2 4.17Å; W118-F126 HydrophobicContact CD2-CZ 4.26Å; W118-F126 HydrophobicContact CE3-CD2 4.17Å; W118-F126 AromaticContact CE3-CE2 3.3Å; W118-F126 HydrophobicContact CE3-CE2 3.3Å; W118-F126 AromaticContact CE3-CZ 3.78Å; W118-F126 HydrophobicContact CE3-CZ 3.78Å; W118-F126 AromaticContact CZ3-CE2 3.81Å; W118-F126 HydrophobicContact CZ3-CE2 3.81Å; W118-F126 HydrophobicContact CZ3-CZ 4.36Å
119F78.2Confident75.1Confident96 Ų9669.9 Ų69.942%0.42132%0.319SS..Hα-helixtrans-56.8-36.9174.8177.8-99.6000111.8R115 R116R115-F119 WeakPolarHBondContact O-CB 3.35Å; R115-F119 PolarHBondContact O-N 3.04Å; R116-F119 PolarHBondContact O-N 3.24Å
120L75.9Confident73.6Confident14 Ų1476.2 Ų76.27%0.07335%0.346CS..Hα-helixtrans-75.5-45.3-179.6-160.373.7000113.7R116 F117 W118 T208 K225 A228R116-L120 WeakPolarHBondContact O-CB 3.37Å; R116-L120 PolarHBondContact O-N 3.2Å; F117-L120 PolarHBondContact O-N 3.35Å; W118-L120 PolarHBondContact O-N 3.26Å; L120-T208 HydrophobicContact CD2-CG2 3.69Å; L120-K225 HydrophobicContact CD1-CB 4.1Å; L120-K225 HydrophobicContact CD1-CG 3.52Å; L120-K225 HydrophobicContact CD2-CG 4.17Å; L120-K225 HydrophobicContact CG-CG 4Å; L120-A228 HydrophobicContact CD1-CB 3.8Å; L120-A228 HydrophobicContact CD2-CB 4.42Å
121M76.6Confident72.4Confident50 Ų5080 Ų8025%0.24636%0.363CS..Hα-helixtrans-80.3-26.8-175.4-62.9-57.4177.100112.9F117 W118 P123 K207 S211F117-M121 HydrophobicContact CD2-CE 4.04Å; F117-M121 HydrophobicContact CD2-CG 4.02Å; F117-M121 HydrophobicContact CE1-CG 4.43Å; F117-M121 HydrophobicContact CE2-CE 3.55Å; F117-M121 HydrophobicContact CE2-CG 3.54Å; F117-M121 HydrophobicContact CE2-SD 4.39Å; F117-M121 HydrophobicContact CZ-CE 4.5Å; F117-M121 HydrophobicContact CZ-CG 3.78Å; F117-M121 WeakPolarHBondContact O-CG 3.46Å; F117-M121 PolarHBondContact O-N 3.29Å; W118-M121 PolarHBondContact O-N 2.95Å; M121-P123 VanDerWaalsContact C-CD 3.49Å; M121-K207 HydrophobicContact CE-CB 4.39Å; M121-K207 VanDerWaalsContact CE-O 3.26Å; M121-K207 WeakPolarHBondContact CE-O 3.27Å; M121-S211 VanDerWaalsContact CE-CB 3.45Å
122Y73.9Confident71.8Confident106 Ų10685.7 Ų85.742%0.41639%0.386SS..  trans-132.958.8-172.5-54.8-72.3000113W118 F124 R125W118-Y122 HydrophobicContact CD2-CD2 4.31Å; W118-Y122 AromaticContact CE3-CD2 3.7Å; W118-Y122 HydrophobicContact CE3-CD2 3.7Å; W118-Y122 HydrophobicContact CE3-CE2 4.2Å; W118-Y122 HydrophobicContact CZ3-CD2 4.17Å; W118-Y122 HydrophobicContact CZ3-CE2 4.41Å; W118-Y122 PolarHBondContact O-N 3.21Å; Y122-F124 VanDerWaalsContact C-N 3.28Å; Y122-F124 PolarHBondContact O-N 3.44Å; Y122-R125 PolarHBondContact O-N 2.83Å
123P66.4Low71.6Confident65 Ų6592.1 Ų92.142%0.42241%0.411SS..THydrogen-bonded Turntrans-59.3-33.2-173.222.9-33.8000113.9M121M121-P123 VanDerWaalsContact C-CD 3.49Å
124F57.8Low71.5Confident203 Ų20392.5 Ų92.589%0.8941%0.413SS*.THydrogen-bonded Turntrans-84.4-18.1-177.3-65.4-74.3000114.9Y122Y122-F124 VanDerWaalsContact C-N 3.28Å; Y122-F124 PolarHBondContact O-N 3.44Å
125R55.2Low71.4Confident207 Ų20794.3 Ų94.378%0.78142%0.421SS*.THydrogen-bonded Turntrans-88.5-11.8178.5-110.1-177.4-167.8161.84.3113.4Y122Y122-R125 PolarHBondContact O-N 2.83Å
126F52.2Low71.7Confident49 Ų4998.5 Ų98.522%0.21544%0.437CS..SBendtrans-118.71.9-165.5-100.7-97.1000115.5W118 D128 C129W118-F126 HydrophobicContact CB-CZ 4.44Å; W118-F126 HydrophobicContact CD2-CE2 4.17Å; W118-F126 HydrophobicContact CD2-CZ 4.26Å; W118-F126 HydrophobicContact CE3-CD2 4.17Å; W118-F126 AromaticContact CE3-CE2 3.3Å; W118-F126 HydrophobicContact CE3-CE2 3.3Å; W118-F126 AromaticContact CE3-CZ 3.78Å; W118-F126 HydrophobicContact CE3-CZ 3.78Å; W118-F126 AromaticContact CZ3-CE2 3.81Å; W118-F126 HydrophobicContact CZ3-CE2 3.81Å; W118-F126 HydrophobicContact CZ3-CZ 4.36Å; F126-D128 PolarHBondContact O-N 3.38Å; F126-C129 HydrophobicContact CD1-CB 3.32Å; F126-C129 HydrophobicContact CE1-CB 3.6Å; F126-C129 WeakPolarHBondContact CE1-SG 3.26Å; F126-C129 HydrophobicContact CG-CB 4.16Å; F126-C129 PolarHBondContact O-N 2.92Å
127H51.6Low72.1Confident176 Ų17699 Ų9982%0.81544%0.444SS*.THydrogen-bonded Turntrans-59.9-26.7171.9-133.298.6000111.8
128D49.1Very low72.6Confident138 Ų13898.2 Ų98.274%0.73844%0.441SS*.THydrogen-bonded Turntrans-103.68.7-179.4-68.7-42.7000115F126 K130F126-D128 PolarHBondContact O-N 3.38Å; D128-K130 VanDerWaalsContact C-N 3.26Å; D128-K130 WeakPolarHBondContact O-CG 3.49Å; D128-K130 PolarHBondContact O-N 3.23Å
129C53.2Low73.2Confident34 Ų3497.1 Ų97.123%0.2344%0.442CS..  trans-70.290.5176.3-168.20000109.3R115 F126 Q131R115-C129 PolarHBondContact NH1-SG 2.96Å; F126-C129 HydrophobicContact CD1-CB 3.32Å; F126-C129 HydrophobicContact CE1-CB 3.6Å; F126-C129 WeakPolarHBondContact CE1-SG 3.26Å; F126-C129 HydrophobicContact CG-CB 4.16Å; F126-C129 PolarHBondContact O-N 2.92Å; C129-Q131 PolarHBondContact O-N 3.21Å
130K62.2Low74.1Confident135 Ų13594.7 Ų94.759%0.58744%0.439SS*.  trans-53.6131.9-172.4-61.9-178.2-179.2174.60109.7D128 K132 Y133D128-K130 VanDerWaalsContact C-N 3.26Å; D128-K130 WeakPolarHBondContact O-CG 3.49Å; D128-K130 PolarHBondContact O-N 3.23Å; K130-K132 HydrophobicContact CB-CB 4.44Å; K130-K132 PolarHBondContact O-N 2.79Å; K130-Y133 HydrophobicContact CB-CD2 4.17Å; K130-Y133 HydrophobicContact CB-CE2 4.3Å; K130-Y133 WeakPolarHBondContact O-CD2 3.24Å; K130-Y133 PolarHBondContact O-N 2.74Å
131Q69.3Low75.1Confident95 Ų9594 Ų9444%0.44444%0.436SS..Hα-helixtrans-39-28.1169.9180-179.75.600114.3A54 I56 C129 Y133 L135A54-Q131 HydrophobicContact CB-CB 4.27Å; A54-Q131 HydrophobicContact CB-CG 3.97Å; I56-Q131 HydrophobicContact CD1-CG 3.72Å; I56-Q131 WeakPolarHBondContact CD1-O 3.23Å; C129-Q131 PolarHBondContact O-N 3.21Å; Q131-Y133 PolarHBondContact O-N 3.45Å; Q131-L135 PolarHBondContact O-N 3.43Å
132K79.5Confident76.1Confident135 Ų13593.9 Ų93.959%0.58743%0.433SS*.Hα-helixtrans-58.6-38.8175.4-58.2-172.2179.6-174.50113.4K130 L135 Y136K130-K132 HydrophobicContact CB-CB 4.44Å; K130-K132 PolarHBondContact O-N 2.79Å; K132-L135 WeakPolarHBondContact O-CB 3.34Å; K132-L135 PolarHBondContact O-N 3.43Å; K132-Y136 HydrophobicContact CB-CD2 4.37Å; K132-Y136 HydrophobicContact CB-CE2 3.98Å; K132-Y136 WeakPolarHBondContact O-CD2 3.5Å; K132-Y136 PolarHBondContact O-N 3.28Å
133Y85Confident77.2Confident140 Ų14094.5 Ų94.555%0.54944%0.443SS..Hα-helixtrans-67.1-47.7-179.6-69-73.2000112K130 Q131 L135 Y136 I137K130-Y133 HydrophobicContact CB-CD2 4.17Å; K130-Y133 HydrophobicContact CB-CE2 4.3Å; K130-Y133 WeakPolarHBondContact O-CD2 3.24Å; K130-Y133 PolarHBondContact O-N 2.74Å; Q131-Y133 PolarHBondContact O-N 3.45Å; Y133-L135 PolarHBondContact O-N 3Å; Y133-Y136 PolarHBondContact O-N 2.84Å; Y133-Y136 VanDerWaalsContact O-N 3.16Å; Y133-I137 WeakPolarHBondContact O-CB 3.48Å; Y133-I137 VanDerWaalsContact O-CG1 3.24Å; Y133-I137 WeakPolarHBondContact O-CG1 3.33Å; Y133-I137 PolarHBondContact O-N 3.41Å
134D86.9Confident78.6Confident7 Ų796.9 Ų96.94%0.03745%0.451CS..Hα-helixtrans-61.1-33.7177.4-62.7-22.1000111.1I56 F57 R115 S138I56-D134 HydrophobicContact CB-CB 4.37Å; I56-D134 HydrophobicContact CD1-CB 4.1Å; F57-D134 HydrophobicContact CE1-CB 4.22Å; F57-D134 WeakPolarHBondContact CE1-O 3.01Å; F57-D134 HydrophobicContact CE2-CB 4.2Å; F57-D134 HydrophobicContact CZ-CB 3.79Å; R115-D134 IonicContact CZ-OD1 2.98Å; R115-D134 IonicContact CZ-OD2 3.76Å; R115-D134 IonicContact NE-OD2 3.82Å; R115-D134 IonicContact NH1-OD1 2.93Å; R115-D134 PolarHBondContact NH1-OD1 2.94Å; R115-D134 IonicContact NH1-OD2 3.97Å; R115-D134 PolarHBondContact NH1-OD2 3.46Å; R115-D134 IonicContact NH2-OD2 2.87Å; D134-S138 WeakPolarHBondContact O-CB 3.47Å; D134-S138 PolarHBondContact O-N 3.28Å; D134-S138 PolarHBondContact O-OG 3.36Å
135L89.3Confident80.5Confident82 Ų8287.9 Ų87.943%0.42941%0.412SS..Hα-helixtrans-65.2-51.7172.2-179.465000112.1I56 Q131 K132 Y133 I137 S138 I139I56-L135 HydrophobicContact CD1-CB 4.13Å; Q131-L135 PolarHBondContact O-N 3.43Å; K132-L135 WeakPolarHBondContact O-CB 3.34Å; K132-L135 PolarHBondContact O-N 3.43Å; Y133-L135 PolarHBondContact O-N 3Å; L135-I137 VanDerWaalsContact C-N 3.33Å; L135-I137 PolarHBondContact O-N 2.97Å; L135-S138 PolarHBondContact O-N 3.42Å; L135-S138 VanDerWaalsContact O-N 3.16Å; L135-I139 HydrophobicContact CD1-CD1 4.06Å; L135-I139 HydrophobicContact CD1-CG1 4.36Å; L135-I139 HydrophobicContact CG-CD1 3.92Å; L135-I139 WeakPolarHBondContact O-CG1 3.36Å; L135-I139 PolarHBondContact O-N 2.89Å
136Y91.4Very high82.5Confident151 Ų15179.9 Ų79.959%0.59239%0.387SS*.Hα-helixtrans-61.7-41179.1-69.2-54.6000112.2K132 Y133 S138 I139 A140K132-Y136 HydrophobicContact CB-CD2 4.37Å; K132-Y136 HydrophobicContact CB-CE2 3.98Å; K132-Y136 WeakPolarHBondContact O-CD2 3.5Å; K132-Y136 PolarHBondContact O-N 3.28Å; Y133-Y136 PolarHBondContact O-N 2.84Å; Y133-Y136 VanDerWaalsContact O-N 3.16Å; Y136-S138 VanDerWaalsContact C-N 3.32Å; Y136-S138 PolarHBondContact O-N 2.9Å; Y136-I139 PolarHBondContact O-N 3.41Å; Y136-A140 WeakPolarHBondContact O-CB 3.36Å; Y136-A140 PolarHBondContact O-N 3.06Å
137I93.6Very high84.5Confident72 Ų7283.9 Ų83.937%0.36941%0.41SS..Hα-helixtrans-59.2-46.2174.2-69.3169.2000109.7F57 Y107 Y133 L135 A140 G141F57-I137 HydrophobicContact CE1-CB 4.22Å; F57-I137 HydrophobicContact CE1-CG2 3.86Å; F57-I137 HydrophobicContact CZ-CB 4.36Å; F57-I137 HydrophobicContact CZ-CG2 4.04Å; Y107-I137 WeakPolarHBondContact OH-CG2 3.46Å; Y107-I137 PolarHBondContact OH-O 3.1Å; Y133-I137 WeakPolarHBondContact O-CB 3.48Å; Y133-I137 VanDerWaalsContact O-CG1 3.24Å; Y133-I137 WeakPolarHBondContact O-CG1 3.33Å; Y133-I137 PolarHBondContact O-N 3.41Å; L135-I137 VanDerWaalsContact C-N 3.33Å; L135-I137 PolarHBondContact O-N 2.97Å; I137-A140 PolarHBondContact O-N 3.44Å; I137-G141 PolarHBondContact O-N 3.27Å
138S94.9Very high86.5Confident1 Ų178.3 Ų78.31%0.00739%0.394CS..Hα-helixtrans-64.2-43.3179.1-57.10000112.7I56 F57 D134 L135 Y136 G141 W142I56-S138 WeakPolarHBondContact CG2-OG 3.44Å; F57-S138 VanDerWaalsContact CD1-OG 3.29Å; F57-S138 WeakPolarHBondContact CD1-OG 3.43Å; F57-S138 WeakPolarHBondContact CE1-OG 3.43Å; D134-S138 WeakPolarHBondContact O-CB 3.47Å; D134-S138 PolarHBondContact O-N 3.28Å; D134-S138 PolarHBondContact O-OG 3.36Å; L135-S138 PolarHBondContact O-N 3.42Å; L135-S138 VanDerWaalsContact O-N 3.16Å; Y136-S138 VanDerWaalsContact C-N 3.32Å; Y136-S138 PolarHBondContact O-N 2.9Å; S138-G141 PolarHBondContact O-N 3.4Å; S138-W142 PolarHBondContact O-N 3.35Å
139I95.8Very high88.6Confident84 Ų8471.8 Ų71.843%0.43136%0.359SS..Hα-helixtrans-62.6-47.6177.3-68.1168000110.3L135 Y136 G141 W142 L143L135-I139 HydrophobicContact CD1-CD1 4.06Å; L135-I139 HydrophobicContact CD1-CG1 4.36Å; L135-I139 HydrophobicContact CG-CD1 3.92Å; L135-I139 WeakPolarHBondContact O-CG1 3.36Å; L135-I139 PolarHBondContact O-N 2.89Å; Y136-I139 PolarHBondContact O-N 3.41Å; I139-G141 VanDerWaalsContact C-N 3.34Å; I139-G141 PolarHBondContact O-N 3.44Å; I139-W142 PolarHBondContact O-N 2.9Å; I139-L143 HydrophobicContact CG2-CD1 4.2Å; I139-L143 WeakPolarHBondContact O-CG 3.42Å; I139-L143 PolarHBondContact O-N 2.92Å
140A96.7Very high90.4Very high44 Ų4473.1 Ų73.136%0.36437%0.367SS..Hα-helixtrans-61.5-43.5177.400000111.5Y136 I137 L143 I144Y136-A140 WeakPolarHBondContact O-CB 3.36Å; Y136-A140 PolarHBondContact O-N 3.06Å; I137-A140 PolarHBondContact O-N 3.44Å; A140-L143 PolarHBondContact O-N 3.48Å; A140-I144 WeakPolarHBondContact O-CB 3.33Å; A140-I144 VanDerWaalsContact O-CG1 3.26Å; A140-I144 WeakPolarHBondContact O-CG1 3.47Å; A140-I144 PolarHBondContact O-N 2.97Å
141G96.4Very high91.6Very high1 Ų170.4 Ų70.41%0.0136%0.358CS..Hα-helixtrans-56.9-49.8175.100000112.3I137 S138 I139 L143 I144 I145I137-G141 PolarHBondContact O-N 3.27Å; S138-G141 PolarHBondContact O-N 3.4Å; I139-G141 VanDerWaalsContact C-N 3.34Å; I139-G141 PolarHBondContact O-N 3.44Å; G141-L143 PolarHBondContact O-N 2.73Å; G141-I144 PolarHBondContact O-N 2.95Å; G141-I145 WeakPolarHBondContact O-CB 3.19Å; G141-I145 WeakPolarHBondContact O-CD1 3.17Å; G141-I145 WeakPolarHBondContact O-CG1 3.21Å; G141-I145 PolarHBondContact O-N 2.72Å
142W97.6Very high92.3Very high46 Ų4667.9 Ų67.917%0.17435%0.346CS..Hα-helixtrans-57.3-47175.6-86.1117.4000112.8N60 I63 A64 L67 V100 A104 F108 S138 I139 I144 I145 C146N60-W142 PolarHBondContact OD1-NE1 3.02Å; I63-W142 HydrophobicContact CG2-CZ2 4.4Å; A64-W142 HydrophobicContact CB-CH2 3.69Å; A64-W142 HydrophobicContact CB-CZ2 4.13Å; L67-W142 HydrophobicContact CD1-CH2 4.47Å; V100-W142 HydrophobicContact CG1-CE3 4.49Å; V100-W142 HydrophobicContact CG1-CZ3 3.71Å; A104-W142 HydrophobicContact CB-CH2 4.17Å; A104-W142 HydrophobicContact CB-CZ3 4.21Å; F108-W142 AromaticContact CE2-CE2 3.86Å; F108-W142 AromaticContact CE2-CZ2 3.97Å; F108-W142 HydrophobicContact CE2-CZ2 3.97Å; F108-W142 AromaticContact CE2-NE1 3.91Å; F108-W142 AromaticContact CZ-CD1 3.91Å; F108-W142 AromaticContact CZ-CE2 3.97Å; F108-W142 HydrophobicContact CZ-CG 4.49Å; F108-W142 AromaticContact CZ-NE1 3.56Å; S138-W142 PolarHBondContact O-N 3.35Å; I139-W142 PolarHBondContact O-N 2.9Å; W142-I144 PolarHBondContact O-N 3.49Å; W142-I145 PolarHBondContact O-N 3.07Å; W142-C146 WeakPolarHBondContact O-CB 3.32Å; W142-C146 PolarHBondContact O-N 2.92Å; W142-C146 PolarHBondContact O-SG 3.45Å
143L97.4Very high92.6Very high119 Ų11962.4 Ų62.462%0.62332%0.324SS*.Hα-helixtrans-60.9-47179.2-69.6173.2000111.5I139 A140 G141 L147I139-L143 HydrophobicContact CG2-CD1 4.2Å; I139-L143 WeakPolarHBondContact O-CG 3.42Å; I139-L143 PolarHBondContact O-N 2.92Å; A140-L143 PolarHBondContact O-N 3.48Å; G141-L143 PolarHBondContact O-N 2.73Å; L143-L147 WeakPolarHBondContact O-CB 3.25Å; L143-L147 PolarHBondContact O-N 2.9Å
144I96.4Very high92.5Very high115 Ų11561.2 Ų61.259%0.5933%0.327SS*.Hα-helixtrans-62.9-47.5179.4-68.6166000110.6A140 G141 W142 L147 A148A140-I144 WeakPolarHBondContact O-CB 3.33Å; A140-I144 VanDerWaalsContact O-CG1 3.26Å; A140-I144 WeakPolarHBondContact O-CG1 3.47Å; A140-I144 PolarHBondContact O-N 2.97Å; G141-I144 PolarHBondContact O-N 2.95Å; W142-I144 PolarHBondContact O-N 3.49Å; I144-L147 PolarHBondContact O-N 2.91Å; I144-A148 VanDerWaalsContact O-CB 3.23Å; I144-A148 WeakPolarHBondContact O-CB 3.34Å; I144-A148 PolarHBondContact O-N 2.79Å
145I97.1Very high92.3Very high15 Ų1563.2 Ų63.28%0.07734%0.337CS..Hα-helixtrans-68.1-47.3-176-68.1167.5000110.7A104 Y107 G141 W142 L147 A148 C149A104-I145 HydrophobicContact CB-CD1 4.43Å; A104-I145 HydrophobicContact CB-CG2 4.46Å; Y107-I145 VanDerWaalsContact CB-CD1 3.49Å; Y107-I145 HydrophobicContact CD1-CD1 3.97Å; Y107-I145 HydrophobicContact CD2-CD1 4.4Å; Y107-I145 HydrophobicContact CG-CD1 3.71Å; G141-I145 WeakPolarHBondContact O-CB 3.19Å; G141-I145 WeakPolarHBondContact O-CD1 3.17Å; G141-I145 WeakPolarHBondContact O-CG1 3.21Å; G141-I145 PolarHBondContact O-N 2.72Å; W142-I145 PolarHBondContact O-N 3.07Å; I145-L147 VanDerWaalsContact C-N 3.34Å; I145-L147 PolarHBondContact O-N 2.84Å; I145-A148 PolarHBondContact O-N 3.21Å; I145-C149 VanDerWaalsContact O-CB 3.26Å; I145-C149 WeakPolarHBondContact O-CB 3.38Å; I145-C149 PolarHBondContact O-N 3.31Å; I145-C149 PolarHBondContact O-SG 3.19Å
146C96.4Very high91.9Very high38 Ų3861.3 Ų61.326%0.25732%0.324SS..Hα-helixtrans-58.2-48.6176.4-75.30000110.6Y96 W142 A148 C149 V150Y96-C146 WeakPolarHBondContact OH-CA 3.47Å; Y96-C146 WeakPolarHBondContact OH-CB 3.4Å; Y96-C146 PolarHBondContact OH-O 3.42Å; Y96-C146 VanDerWaalsContact OH-O 3.05Å; W142-C146 WeakPolarHBondContact O-CB 3.32Å; W142-C146 PolarHBondContact O-N 2.92Å; W142-C146 PolarHBondContact O-SG 3.45Å; C146-A148 PolarHBondContact O-N 3.1Å; C146-C149 PolarHBondContact O-N 3Å; C146-V150 WeakPolarHBondContact O-CG2 3.36Å; C146-V150 PolarHBondContact O-N 3.31Å
147L95.4Very high90.9Very high133 Ų13356.6 Ų56.670%0.69631%0.311SS*.Hα-helixtrans-61.8-46.2179.1-178.362000112.3L143 I144 I145 C149 V150L143-L147 WeakPolarHBondContact O-CB 3.25Å; L143-L147 PolarHBondContact O-N 2.9Å; I144-L147 PolarHBondContact O-N 2.91Å; I145-L147 VanDerWaalsContact C-N 3.34Å; I145-L147 PolarHBondContact O-N 2.84Å; L147-C149 VanDerWaalsContact C-N 3.33Å; L147-C149 PolarHBondContact O-N 2.91Å; L147-V150 PolarHBondContact O-N 3.36Å
148A93.1Very high89.6Confident59 Ų5956.2 Ų56.249%0.48832%0.315SS..Hα-helixtrans-63.5-39.6178.700000111.8I144 I145 C146 V150 L151I144-A148 VanDerWaalsContact O-CB 3.23Å; I144-A148 WeakPolarHBondContact O-CB 3.34Å; I144-A148 PolarHBondContact O-N 2.79Å; I145-A148 PolarHBondContact O-N 3.21Å; C146-A148 PolarHBondContact O-N 3.1Å; A148-V150 VanDerWaalsContact C-N 3.28Å; A148-V150 PolarHBondContact O-N 2.89Å; A148-L151 WeakPolarHBondContact O-CB 3.46Å; A148-L151 PolarHBondContact O-N 2.94Å
149C93.6Very high88Confident1 Ų159.5 Ų59.51%0.00733%0.332CS..Hα-helixtrans-71.5-19.7-177.9-69.50000113.7Y96 V100 I145 C146 L147 L151 F152 P153Y96-C149 HydrophobicContact CD2-CB 4.04Å; Y96-C149 HydrophobicContact CE2-CB 3.57Å; V100-C149 HydrophobicContact CG2-CB 3.71Å; I145-C149 VanDerWaalsContact O-CB 3.26Å; I145-C149 WeakPolarHBondContact O-CB 3.38Å; I145-C149 PolarHBondContact O-N 3.31Å; I145-C149 PolarHBondContact O-SG 3.19Å; C146-C149 PolarHBondContact O-N 3Å; L147-C149 VanDerWaalsContact C-N 3.33Å; L147-C149 PolarHBondContact O-N 2.91Å; C149-L151 PolarHBondContact O-N 2.95Å; C149-L151 VanDerWaalsContact O-N 3.17Å; C149-F152 HydrophobicContact CB-CD2 4.39Å; C149-F152 WeakPolarHBondContact O-CD2 3.29Å; C149-F152 PolarHBondContact O-N 3.31Å; C149-F152 VanDerWaalsContact O-N 3.12Å; C149-P153 WeakPolarHBondContact O-CD 3.44Å
150V90.8Very high86.1Confident63 Ų6360.7 Ų60.738%0.38234%0.339SS..THydrogen-bonded Turntrans-59.5-26.4175.2167.10000111.2Y96 C146 L147 A148 F152 P153 L154Y96-V150 HydrophobicContact CE2-CG2 3.87Å; C146-V150 WeakPolarHBondContact O-CG2 3.36Å; C146-V150 PolarHBondContact O-N 3.31Å; L147-V150 PolarHBondContact O-N 3.36Å; A148-V150 VanDerWaalsContact C-N 3.28Å; A148-V150 PolarHBondContact O-N 2.89Å; V150-F152 VanDerWaalsContact C-N 3.28Å; V150-F152 PolarHBondContact O-N 2.92Å; V150-P153 WeakPolarHBondContact O-CD 3.41Å; V150-L154 HydrophobicContact CG1-CD1 3.72Å; V150-L154 HydrophobicContact CG1-CG 4.08Å; V150-L154 VanDerWaalsContact O-CG 3.3Å; V150-L154 WeakPolarHBondContact O-CG 3.25Å; V150-L154 PolarHBondContact O-N 3.45Å
151L86.6Confident84.5Confident77 Ų7761.5 Ų61.540%0.40334%0.34SS..Hα-helixtrans-61.6-32.9177.2-173.863.2000113A148 C149 L154 L155 M185A148-L151 WeakPolarHBondContact O-CB 3.46Å; A148-L151 PolarHBondContact O-N 2.94Å; C149-L151 PolarHBondContact O-N 2.95Å; C149-L151 VanDerWaalsContact O-N 3.17Å; L151-L154 PolarHBondContact O-N 2.83Å; L151-L155 HydrophobicContact CD1-CD1 4.43Å; L151-L155 HydrophobicContact CD1-CG 4.32Å; L151-L155 HydrophobicContact CG-CD1 4.04Å; L151-L155 HydrophobicContact CG-CG 4.37Å; L151-L155 VanDerWaalsContact O-CG 3.3Å; L151-L155 WeakPolarHBondContact O-CG 3.35Å; L151-L155 PolarHBondContact O-N 2.69Å; L151-M185 HydrophobicContact CD1-CE 3.84Å; L151-M185 HydrophobicContact CD2-CE 3.49Å; L151-M185 VanDerWaalsContact CD2-CE 3.49Å; L151-M185 HydrophobicContact CG-CE 4.15Å
152F85.3Confident82.5Confident42 Ų4266.9 Ų66.918%0.18438%0.375CS..Hα-helixtrans-64.7-52.6-178.1-65.5-80.5000112.5F95 Y99 Y103 C149 V150 L154 L155F95-F152 HydrophobicContact CE1-CB 3.94Å; Y99-F152 HydrophobicContact CD1-CD1 4.03Å; Y99-F152 AromaticContact CD1-CD2 3.97Å; Y99-F152 HydrophobicContact CD1-CD2 3.97Å; Y99-F152 HydrophobicContact CD1-CE1 4.02Å; Y99-F152 AromaticContact CD1-CE2 3.99Å; Y99-F152 HydrophobicContact CD1-CE2 3.99Å; Y99-F152 HydrophobicContact CD1-CG 4.02Å; Y99-F152 HydrophobicContact CD1-CZ 4.01Å; Y99-F152 HydrophobicContact CD2-CB 4.17Å; Y99-F152 HydrophobicContact CD2-CG 4.27Å; Y99-F152 AromaticContact CE1-CD1 3.91Å; Y99-F152 HydrophobicContact CE1-CD1 3.91Å; Y99-F152 AromaticContact CE1-CE1 3.96Å; Y99-F152 HydrophobicContact CE1-CE1 3.96Å; Y99-F152 HydrophobicContact CE1-CG 4.28Å; Y99-F152 HydrophobicContact CE1-CZ 4.38Å; Y99-F152 HydrophobicContact CE2-CB 4.41Å; Y99-F152 HydrophobicContact CG-CB 4.35Å; Y99-F152 HydrophobicContact CG-CD1 4.44Å; Y99-F152 AromaticContact CG-CD2 3.88Å; Y99-F152 HydrophobicContact CG-CD2 3.88Å; Y99-F152 HydrophobicContact CG-CE2 4.27Å; Y99-F152 AromaticContact CG-CG 3.99Å; Y99-F152 HydrophobicContact CG-CG 3.99Å; Y103-F152 HydrophobicContact CD2-CE2 4.27Å; Y103-F152 AromaticContact CE2-CE2 3.51Å; Y103-F152 HydrophobicContact CE2-CE2 3.51Å; Y103-F152 AromaticContact CE2-CZ 3.59Å; Y103-F152 HydrophobicContact CE2-CZ 3.59Å; Y103-F152 AromaticContact CZ-CZ 3.99Å; C149-F152 HydrophobicContact CB-CD2 4.39Å; C149-F152 WeakPolarHBondContact O-CD2 3.29Å; C149-F152 PolarHBondContact O-N 3.31Å; C149-F152 VanDerWaalsContact O-N 3.12Å; V150-F152 VanDerWaalsContact C-N 3.28Å; V150-F152 PolarHBondContact O-N 2.92Å; F152-L154 VanDerWaalsContact C-N 3.32Å; F152-L154 PolarHBondContact O-N 2.9Å; F152-L155 PolarHBondContact O-N 3.4Å
153P84.4Confident80.7Confident21 Ų2167.2 Ų67.214%0.13639%0.392CS..Hα-helixtrans-59-38.3171.7-22.528.3000113.8M92 F95 Y96 C149 V150 L155 R156M92-P153 HydrophobicContact SD-CB 4.12Å; F95-P153 HydrophobicContact CD1-CG 4.12Å; Y96-P153 HydrophobicContact CD2-CG 4.09Å; Y96-P153 HydrophobicContact CG-CG 4.37Å; C149-P153 WeakPolarHBondContact O-CD 3.44Å; V150-P153 WeakPolarHBondContact O-CD 3.41Å; P153-L155 PolarHBondContact O-N 3.12Å; P153-R156 WeakPolarHBondContact O-CA 3.17Å; P153-R156 WeakPolarHBondContact O-CB 3.44Å; P153-R156 PolarHBondContact O-N 3.37Å
154L84.1Confident79Confident115 Ų11563.6 Ų63.660%0.60237%0.374SS*.Hα-helixtrans-65.2-27.4-179.6-71.1177.6000113.3V150 L151 F152 R156V150-L154 HydrophobicContact CG1-CD1 3.72Å; V150-L154 HydrophobicContact CG1-CG 4.08Å; V150-L154 VanDerWaalsContact O-CG 3.3Å; V150-L154 WeakPolarHBondContact O-CG 3.25Å; V150-L154 PolarHBondContact O-N 3.45Å; L151-L154 PolarHBondContact O-N 2.83Å; F152-L154 VanDerWaalsContact C-N 3.32Å; F152-L154 PolarHBondContact O-N 2.9Å; L154-R156 PolarHBondContact O-N 3.2Å
155L81Confident77.3Confident49 Ų4965.9 Ų65.926%0.25738%0.375SS..THydrogen-bonded Turntrans-79.2-4.1172.6-69.5172.2000112.9L151 F152 P153 T174 R175 V177L151-L155 HydrophobicContact CD1-CD1 4.43Å; L151-L155 HydrophobicContact CD1-CG 4.32Å; L151-L155 HydrophobicContact CG-CD1 4.04Å; L151-L155 HydrophobicContact CG-CG 4.37Å; L151-L155 VanDerWaalsContact O-CG 3.3Å; L151-L155 WeakPolarHBondContact O-CG 3.35Å; L151-L155 PolarHBondContact O-N 2.69Å; F152-L155 PolarHBondContact O-N 3.4Å; P153-L155 PolarHBondContact O-N 3.12Å; L155-T174 CarbonylContact O-C 3.58Å; L155-T174 WeakPolarHBondContact O-CA 3.44Å; L155-T174 WeakPolarHBondContact O-CG2 3.47Å; L155-R175 PolarHBondContact O-N 3.41Å; L155-V177 HydrophobicContact CD2-CG1 4.34Å
156R81.5Confident76.2Confident42 Ų4267.6 Ų67.616%0.15839%0.386CS..BIsolated β-bridgetrans-103.7151.2174.3-61.4-62.8-177.9162.9-2.5110.8M92 F95 P153 L154 L172 P173 T174M92-R156 HydrophobicContact CE-CB 4.13Å; F95-R156 HydrophobicContact CE1-CG 4.11Å; F95-R156 HydrophobicContact CZ-CG 4.03Å; P153-R156 WeakPolarHBondContact O-CA 3.17Å; P153-R156 WeakPolarHBondContact O-CB 3.44Å; P153-R156 PolarHBondContact O-N 3.37Å; L154-R156 PolarHBondContact O-N 3.2Å; R156-L172 HydrophobicContact CB-CB 4.13Å; R156-L172 HydrophobicContact CB-CD2 3.67Å; R156-L172 HydrophobicContact CG-CB 4.2Å; R156-L172 HydrophobicContact CG-CD2 4.28Å; R156-L172 PolarHBondContact NH1-O 3.01Å; R156-P173 WeakPolarHBondContact CA-O 3.26Å; R156-T174 PolarHBondContact NH1-OG1 3.14Å
157T71.8Confident75.5Confident51 Ų5170.2 Ų70.231%0.31339%0.393SS..  trans-112.6123.7175.8-50.30000109P173T157-P173 PolarHBondContact N-O 3.38Å; T157-P173 WeakPolarHBondContact O-CD 3.37Å; T157-P173 VanDerWaalsContact O-CG 3.29Å; T157-P173 WeakPolarHBondContact O-CG 3.01Å
158S65.1Low75.2Confident65 Ų6563.9 Ų63.946%0.45536%0.36SS..  trans-87.3104.5162.351.50000106.9
159D61.2Low74.9Confident70 Ų7061.5 Ų61.537%0.37434%0.339SS..  trans-93.9123179.5-167.536.8000108.8T161 N164D159-T161 PolarHBondContact O-N 3.25Å; D159-T161 VanDerWaalsContact O-N 3.1Å; D159-T161 PolarHBondContact OD2-OG1 3.38Å; D159-N164 HydrophobicContact CB-CB 4.15Å; D159-N164 VanDerWaalsContact O-CB 3.26Å; D159-N164 WeakPolarHBondContact O-CB 3.16Å; D159-N164 PolarHBondContact OD2-ND2 3.21Å
160D57.4Low74.3Confident108 Ų10862.7 Ų62.758%0.57835%0.346SS*.  trans-77.910.5-172-85.3-28.5000113.9R165D160-R165 PolarHBondContact O-NE 3.5Å; D160-R165 PolarHBondContact O-NH2 3.46Å
161T61.3Low73.8Confident62 Ų6261.4 Ų61.438%0.3834%0.337SS..SBendtrans-64.3140.8175.946.20000110.6D159 G163 N164 R165D159-T161 PolarHBondContact O-N 3.25Å; D159-T161 VanDerWaalsContact O-N 3.1Å; D159-T161 PolarHBondContact OD2-OG1 3.38Å; T161-G163 PolarHBondContact O-N 3.39Å; T161-N164 PolarHBondContact O-N 2.91Å; T161-N164 WeakPolarHBondContact OG1-CB 3.32Å; T161-N164 PolarHBondContact OG1-ND2 3.07Å; T161-R165 PolarHBondContact O-N 2.94Å; T161-R165 VanDerWaalsContact O-N 3.15Å
162P55Low73.5Confident113 Ų11358.2 Ų58.273%0.73432%0.32SS*.THydrogen-bonded Turntrans-53.7-30.6-170-27.233000115.5
163G60.2Low73.1Confident53 Ų5358.9 Ų58.955%0.54633%0.329SS..THydrogen-bonded Turntrans-88.7-9.717600000115.8T161T161-G163 PolarHBondContact O-N 3.39Å
164N61.3Low72.8Confident43 Ų4361.3 Ų61.323%0.2334%0.343CS..THydrogen-bonded Turntrans-99.8-13.8174.7-77.6-21.4000112.7D159 T161 T166 K167D159-N164 HydrophobicContact CB-CB 4.15Å; D159-N164 VanDerWaalsContact O-CB 3.26Å; D159-N164 WeakPolarHBondContact O-CB 3.16Å; D159-N164 PolarHBondContact OD2-ND2 3.21Å; T161-N164 PolarHBondContact O-N 2.91Å; T161-N164 WeakPolarHBondContact OG1-CB 3.32Å; T161-N164 PolarHBondContact OG1-ND2 3.07Å; N164-T166 PolarHBondContact O-N 3.44Å; N164-K167 PolarHBondContact O-N 3.29Å; N164-K167 PolarHBondContact OD1-NZ 3.13Å
165R60.5Low72.5Confident164 Ų16463.2 Ų63.262%0.61934%0.342SS*.THydrogen-bonded Turntrans-60.2-24176.1-73.6-177.2-176.9-162.5-4114.1D160 T161D160-R165 PolarHBondContact O-NE 3.5Å; D160-R165 PolarHBondContact O-NH2 3.46Å; T161-R165 PolarHBondContact O-N 2.94Å; T161-R165 VanDerWaalsContact O-N 3.15Å
166T74.1Confident72.1Confident50 Ų5068.9 Ų68.931%0.30737%0.373SS..THydrogen-bonded Turntrans-92.9-13.4-177.961.90000113.1Y78 D83 W84 N164Y78-T166 VanDerWaalsContact CE2-O 3.31Å; Y78-T166 WeakPolarHBondContact CE2-O 3.38Å; D83-T166 VanDerWaalsContact OD1-CB 3.29Å; D83-T166 WeakPolarHBondContact OD1-CB 3.34Å; D83-T166 WeakPolarHBondContact OD1-CG2 3.32Å; W84-T166 WeakPolarHBondContact CB-O 3.19Å; W84-T166 PolarHBondContact N-O 2.84Å; N164-T166 PolarHBondContact O-N 3.44Å
167K82.8Confident71.8Confident94 Ų9469.6 Ų69.641%0.40938%0.382SS..  trans-81.9134.2-176-68.4-179.3-174.6161.40111.7N164 D171N164-K167 PolarHBondContact O-N 3.29Å; N164-K167 PolarHBondContact OD1-NZ 3.13Å; K167-D171 HydrophobicContact CB-CB 4.28Å; K167-D171 HydrophobicContact CD-CB 4.5Å; K167-D171 HydrophobicContact CG-CB 4.42Å
168C87.5Confident72.4Confident0 Ų071.7 Ų71.70%039%0.391CS..  trans-139.5168.2176.6-164.80000113.1Y78 W84 C91 V170 D171 L172Y78-C168 HydrophobicContact CD2-CB 3.97Å; Y78-C168 HydrophobicContact CE1-CB 4.43Å; Y78-C168 WeakPolarHBondContact CE1-O 3.35Å; Y78-C168 HydrophobicContact CE2-CB 3.82Å; Y78-C168 HydrophobicContact CG-CB 4.34Å; Y78-C168 VanDerWaalsContact CZ-N 3.33Å; Y78-C168 PolarHBondContact OH-N 2.87Å; Y78-C168 VanDerWaalsContact OH-N 3.07Å; Y78-C168 PolarHBondContact OH-O 3.37Å; W84-C168 HydrophobicContact CB-CB 4.18Å; W84-C168 HydrophobicContact CD2-CB 4.08Å; W84-C168 HydrophobicContact CE3-CB 4.17Å; W84-C168 HydrophobicContact CG-CB 4.08Å; C91-C168 VanDerWaalsContact CA-SG 3.5Å; C91-C168 HydrophobicContact CB-CB 4.2Å; C91-C168 WeakPolarHBondContact CB-SG 3.46Å; C91-C168 WeakPolarHBondContact SG-CA 3.47Å; C91-C168 WeakPolarHBondContact SG-CB 3.49Å; C91-C168 CovalentContact SG-SG 2.03Å; C91-C168 PolarHBondContact SG-SG 3.33Å; C168-V170 PolarHBondContact O-N 2.96Å; C168-D171 PolarHBondContact O-N 3.45Å; C168-D171 VanDerWaalsContact O-N 3.15Å; C168-L172 HydrophobicContact CB-CD1 4.46Å
169F87.1Confident73.3Confident9 Ų971.7 Ų71.74%0.03939%0.385CS..G310 helixtrans51-105178.3-50.4-64.8000115.7R75 Y78 Y79 W84 C94 F95 D171 L172R75-F169 HydrophobicContact CB-CE2 4.24Å; R75-F169 HydrophobicContact CB-CZ 4.43Å; R75-F169 HydrophobicContact CG-CD2 4.33Å; R75-F169 HydrophobicContact CG-CE1 3.89Å; R75-F169 HydrophobicContact CG-CE2 3.68Å; R75-F169 HydrophobicContact CG-CZ 3.44Å; R75-F169 VanDerWaalsContact CG-CZ 3.44Å; Y78-F169 AromaticContact CD1-CD2 3.66Å; Y78-F169 HydrophobicContact CD1-CD2 3.66Å; Y78-F169 HydrophobicContact CD1-CE2 4.16Å; Y78-F169 HydrophobicContact CE1-CD2 4.14Å; Y78-F169 HydrophobicContact CG-CD2 4.13Å; Y78-F169 HydrophobicContact CG-CE2 4.19Å; Y79-F169 HydrophobicContact CE2-CD2 4.25Å; Y79-F169 WeakPolarHBondContact OH-CB 3.11Å; W84-F169 HydrophobicContact CE3-CE2 4.08Å; W84-F169 HydrophobicContact CE3-CZ 4.42Å; W84-F169 HydrophobicContact CH2-CE2 4.31Å; W84-F169 AromaticContact CH2-CZ 3.86Å; W84-F169 HydrophobicContact CH2-CZ 3.86Å; W84-F169 AromaticContact CZ3-CE2 3.64Å; W84-F169 HydrophobicContact CZ3-CE2 3.64Å; W84-F169 AromaticContact CZ3-CZ 3.65Å; W84-F169 HydrophobicContact CZ3-CZ 3.65Å; C94-F169 HydrophobicContact CB-CE1 3.55Å; C94-F169 HydrophobicContact CB-CZ 3.79Å; F95-F169 HydrophobicContact CB-CD1 4.09Å; F95-F169 HydrophobicContact CB-CE1 4.4Å; F95-F169 HydrophobicContact CD2-CD1 4.42Å; F169-D171 PolarHBondContact O-N 2.89Å; F169-L172 PolarHBondContact O-N 2.92Å
170V81.3Confident74.5Confident25 Ų2571.1 Ų71.115%0.15239%0.39CS..G310 helixtrans-74.1-18.2-172.1690000111.9Y22 Y79 C168Y22-V170 HydrophobicContact CE2-CG1 4.26Å; Y79-V170 HydrophobicContact CE1-CG1 4.21Å; C168-V170 PolarHBondContact O-N 2.96Å
171D80.6Confident75.8Confident37 Ų3771.4 Ų71.420%0.19839%0.388CS..G310 helixtrans-98.42.1-178.1-47.4-58.7000112.7R18 Y19 Y78 K167 C168 F169R18-D171 IonicContact NH2-OD1 3.86Å; Y19-D171 PolarHBondContact OH-OD2 3.39Å; Y78-D171 PolarHBondContact OH-OD2 3.36Å; K167-D171 HydrophobicContact CB-CB 4.28Å; K167-D171 HydrophobicContact CD-CB 4.5Å; K167-D171 HydrophobicContact CG-CB 4.42Å; C168-D171 PolarHBondContact O-N 3.45Å; C168-D171 VanDerWaalsContact O-N 3.15Å; F169-D171 PolarHBondContact O-N 2.89Å
172L81Confident77Confident9 Ų969.2 Ų69.25%0.04738%0.376CS..SBendtrans-65.6130.2170.6-91.585.3000110.2M92 R156 C168 F169M92-L172 HydrophobicContact CE-CD2 3.26Å; M92-L172 HydrophobicContact SD-CD2 3.58Å; M92-L172 VanDerWaalsContact SD-CD2 3.58Å; R156-L172 HydrophobicContact CB-CB 4.13Å; R156-L172 HydrophobicContact CB-CD2 3.67Å; R156-L172 HydrophobicContact CG-CB 4.2Å; R156-L172 HydrophobicContact CG-CD2 4.28Å; R156-L172 PolarHBondContact NH1-O 3.01Å; C168-L172 HydrophobicContact CB-CD1 4.46Å; F169-L172 PolarHBondContact O-N 2.92Å
173P76.9Confident78.5Confident57 Ų5766.3 Ų66.337%0.3736%0.356SS..PPolyproline II helixtrans-63.7141.7173.226.3-32.1000110.6R156 T157R156-P173 WeakPolarHBondContact CA-O 3.26Å; T157-P173 PolarHBondContact N-O 3.38Å; T157-P173 WeakPolarHBondContact O-CD 3.37Å; T157-P173 VanDerWaalsContact O-CG 3.29Å; T157-P173 WeakPolarHBondContact O-CG 3.01Å
174T77.3Confident79.9Confident71 Ų7167.7 Ų67.744%0.43635%0.353SS..BIsolated β-bridgetrans-81.4140171.3-44.70000108.8L155 R156L155-T174 CarbonylContact O-C 3.58Å; L155-T174 WeakPolarHBondContact O-CA 3.44Å; L155-T174 WeakPolarHBondContact O-CG2 3.47Å; R156-T174 PolarHBondContact NH1-OG1 3.14Å
175R77.6Confident81.2Confident156 Ų15669.8 Ų69.859%0.58936%0.363SS*.PPolyproline II helixtrans-61.2142.3174.2-169.3176.5178.2113.30.8109.7L155 V177L155-R175 PolarHBondContact O-N 3.41Å; R175-V177 WeakPolarHBondContact O-CG2 3.31Å; R175-V177 PolarHBondContact O-N 3.29Å
176N71.8Confident82.6Confident167 Ų16763.3 Ų63.389%0.89334%0.34SS*.  trans-68.8100.9173.8-69-44.6000109.7
177V76Confident83.4Confident57 Ų5764.7 Ų64.735%0.34535%0.349SS..  trans-117.9150.4173.3-79.60000108.7L155 R175 L179 S182L155-V177 HydrophobicContact CD2-CG1 4.34Å; R175-V177 WeakPolarHBondContact O-CG2 3.31Å; R175-V177 PolarHBondContact O-N 3.29Å; V177-L179 PolarHBondContact O-N 3.43Å; V177-S182 WeakPolarHBondContact CG2-OG 3.5Å
178N84.5Confident83.8Confident95 Ų9564.6 Ų64.651%0.50835%0.351SS..  trans-56.8135.9178.2-178.411.1000110A180 Q181 S182N178-A180 VanDerWaalsContact C-N 3.3Å; N178-A180 PolarHBondContact O-N 3.43Å; N178-A180 PolarHBondContact OD1-N 2.96Å; N178-Q181 HydrophobicContact CB-CB 4.26Å; N178-Q181 HydrophobicContact CB-CG 4.11Å; N178-Q181 PolarHBondContact O-N 3.38Å; N178-S182 PolarHBondContact O-N 2.67Å; N178-S182 PolarHBondContact O-OG 2.96Å
179L83.4Confident84Confident65 Ų6566.1 Ų66.134%0.3437%0.367SS..Hα-helixtrans-55.9-46-179.1179.962.2000111.2V177 Q181 S182 V183 F254 E260V177-L179 PolarHBondContact O-N 3.43Å; L179-Q181 PolarHBondContact O-N 2.81Å; L179-S182 WeakPolarHBondContact O-CB 3.05Å; L179-S182 PolarHBondContact O-N 3.01Å; L179-V183 HydrophobicContact CD1-CG2 4.27Å; L179-V183 HydrophobicContact CG-CG2 4.46Å; L179-V183 VanDerWaalsContact O-CG2 3.31Å; L179-V183 WeakPolarHBondContact O-CG2 3.33Å; L179-V183 PolarHBondContact O-N 3.39Å; L179-F254 HydrophobicContact CD1-CE1 3.87Å; L179-F254 HydrophobicContact CD1-CZ 3.86Å; L179-E260 HydrophobicContact CD2-CG 4.37Å; L179-E260 WeakPolarHBondContact CD2-OE1 3.41Å
180A86.3Confident84.3Confident58 Ų5866.6 Ų66.648%0.47937%0.369SS..Hα-helixtrans-60.8-43-18000000112.4N178 V183 V184N178-A180 VanDerWaalsContact C-N 3.3Å; N178-A180 PolarHBondContact O-N 3.43Å; N178-A180 PolarHBondContact OD1-N 2.96Å; A180-V183 PolarHBondContact O-N 3.48Å; A180-V184 WeakPolarHBondContact O-CG2 3.39Å; A180-V184 PolarHBondContact O-N 2.82Å
181Q86Confident85Confident114 Ų11469.9 Ų69.953%0.53339%0.386SS..Hα-helixtrans-64.7-42.4177-70175.8-20.200111.2N178 L179 V183 V184 M185N178-Q181 HydrophobicContact CB-CB 4.26Å; N178-Q181 HydrophobicContact CB-CG 4.11Å; N178-Q181 PolarHBondContact O-N 3.38Å; L179-Q181 PolarHBondContact O-N 2.81Å; Q181-V183 PolarHBondContact O-N 3.02Å; Q181-V184 PolarHBondContact O-N 3.18Å; Q181-M185 VanDerWaalsContact O-CG 3.29Å; Q181-M185 WeakPolarHBondContact O-CG 3.45Å; Q181-M185 PolarHBondContact O-N 3.14Å
182S85Confident85.6Confident16 Ų1673.6 Ų73.611%0.11240%0.404CS..Hα-helixtrans-63.1-42.4178.8-54.50000111.9V177 N178 L179 M185 M186 F254V177-S182 WeakPolarHBondContact CG2-OG 3.5Å; N178-S182 PolarHBondContact O-N 2.67Å; N178-S182 PolarHBondContact O-OG 2.96Å; L179-S182 WeakPolarHBondContact O-CB 3.05Å; L179-S182 PolarHBondContact O-N 3.01Å; S182-M185 PolarHBondContact O-N 3.42Å; S182-M186 WeakPolarHBondContact O-CB 3.29Å; S182-M186 PolarHBondContact O-N 2.88Å; S182-F254 VanDerWaalsContact CB-CZ 3.42Å
183V87.9Confident86.1Confident52 Ų5273.9 Ų73.932%0.31541%0.409SS..Hα-helixtrans-62.6-44.5175.7170.80000110.9L179 A180 Q181 T187 F254L179-V183 HydrophobicContact CD1-CG2 4.27Å; L179-V183 HydrophobicContact CG-CG2 4.46Å; L179-V183 VanDerWaalsContact O-CG2 3.31Å; L179-V183 WeakPolarHBondContact O-CG2 3.33Å; L179-V183 PolarHBondContact O-N 3.39Å; A180-V183 PolarHBondContact O-N 3.48Å; Q181-V183 PolarHBondContact O-N 3.02Å; V183-T187 VanDerWaalsContact O-CB 3.27Å; V183-T187 WeakPolarHBondContact O-CB 3.38Å; V183-T187 PolarHBondContact O-N 2.97Å; V183-T187 PolarHBondContact O-OG1 3.44Å; V183-F254 HydrophobicContact CG2-CE1 3.73Å; V183-F254 HydrophobicContact CG2-CZ 4.35Å
184V89.8Confident86.9Confident82 Ų8272 Ų7250%0.49740%0.395SS..Hα-helixtrans-62.4-49.5177.4170.40000111A180 Q181 M186 T187 I188A180-V184 WeakPolarHBondContact O-CG2 3.39Å; A180-V184 PolarHBondContact O-N 2.82Å; Q181-V184 PolarHBondContact O-N 3.18Å; V184-M186 PolarHBondContact O-N 3.44Å; V184-T187 PolarHBondContact O-N 3.04Å; V184-I188 HydrophobicContact CG1-CD1 3.72Å; V184-I188 HydrophobicContact CG1-CG1 4.49Å; V184-I188 WeakPolarHBondContact O-CG1 3.44Å; V184-I188 PolarHBondContact O-N 3.09Å
185M87.4Confident87.8Confident87 Ų8771.1 Ų71.143%0.42939%0.39SS..Hα-helixtrans-61.3-44.1179.3-69.7176.376.500112.1L151 Q181 S182 G189L151-M185 HydrophobicContact CD1-CE 3.84Å; L151-M185 HydrophobicContact CD2-CE 3.49Å; L151-M185 VanDerWaalsContact CD2-CE 3.49Å; L151-M185 HydrophobicContact CG-CE 4.15Å; Q181-M185 VanDerWaalsContact O-CG 3.29Å; Q181-M185 WeakPolarHBondContact O-CG 3.45Å; Q181-M185 PolarHBondContact O-N 3.14Å; S182-M185 PolarHBondContact O-N 3.42Å; M185-G189 PolarHBondContact O-N 3.49Å
186M89.3Confident88.7Confident28 Ų2866.7 Ų66.714%0.13838%0.381CS..Hα-helixtrans-61.3-47.5175.6179.2-179.67900111.4S182 V184 I188 G189 E190 F250 P251 F254S182-M186 WeakPolarHBondContact O-CB 3.29Å; S182-M186 PolarHBondContact O-N 2.88Å; V184-M186 PolarHBondContact O-N 3.44Å; M186-I188 PolarHBondContact O-N 3.25Å; M186-G189 PolarHBondContact O-N 3.4Å; M186-E190 HydrophobicContact CG-CG 4.47Å; M186-E190 WeakPolarHBondContact O-CB 3.43Å; M186-E190 WeakPolarHBondContact O-CG 3.48Å; M186-E190 PolarHBondContact O-N 3.22Å; M186-F250 HydrophobicContact CG-CD1 4.15Å; M186-F250 HydrophobicContact CG-CE1 3.73Å; M186-F250 HydrophobicContact SD-CD1 4.35Å; M186-F250 HydrophobicContact SD-CE1 4.21Å; M186-P251 HydrophobicContact CE-CB 3.78Å; M186-P251 HydrophobicContact CE-CG 4.37Å; M186-P251 HydrophobicContact SD-CB 4.2Å; M186-P251 HydrophobicContact SD-CG 4.48Å; M186-F254 HydrophobicContact CE-CD1 3.87Å; M186-F254 HydrophobicContact CE-CG 4.32Å; M186-F254 HydrophobicContact SD-CB 3.6Å; M186-F254 VanDerWaalsContact SD-CB 3.6Å; M186-F254 HydrophobicContact SD-CD1 3.77Å; M186-F254 HydrophobicContact SD-CD2 4.27Å; M186-F254 HydrophobicContact SD-CG 3.59Å; M186-F254 VanDerWaalsContact SD-CG 3.59Å
187T90.9Very high89.8Confident80 Ų8059.5 Ų59.549%0.49134%0.343SS..Hα-helixtrans-62.7-46-178.1-57.50000111.1V183 V184 G189 E190 L191V183-T187 VanDerWaalsContact O-CB 3.27Å; V183-T187 WeakPolarHBondContact O-CB 3.38Å; V183-T187 PolarHBondContact O-N 2.97Å; V183-T187 PolarHBondContact O-OG1 3.44Å; V184-T187 PolarHBondContact O-N 3.04Å; T187-G189 VanDerWaalsContact C-N 3.34Å; T187-E190 PolarHBondContact O-N 3.44Å; T187-L191 VanDerWaalsContact O-CB 3.29Å; T187-L191 WeakPolarHBondContact O-CB 3.37Å; T187-L191 PolarHBondContact O-N 3.46Å
188I92.4Very high90.7Very high91 Ų9158.4 Ų58.447%0.46734%0.335SS..Hα-helixtrans-63.1-43.7175.9-67.4170.9000110.2V184 M186 L191 I192V184-I188 HydrophobicContact CG1-CD1 3.72Å; V184-I188 HydrophobicContact CG1-CG1 4.49Å; V184-I188 WeakPolarHBondContact O-CG1 3.44Å; V184-I188 PolarHBondContact O-N 3.09Å; M186-I188 PolarHBondContact O-N 3.25Å; I188-L191 PolarHBondContact O-N 3.25Å; I188-I192 HydrophobicContact CG2-CD1 3.66Å; I188-I192 HydrophobicContact CG2-CG1 4.42Å; I188-I192 WeakPolarHBondContact O-CB 3.44Å; I188-I192 WeakPolarHBondContact O-CG1 3.34Å; I188-I192 PolarHBondContact O-N 3.01Å
189G91.4Very high91.2Very high32 Ų3258.9 Ų58.933%0.3334%0.337SS..Hα-helixtrans-60.2-44.7178.100000113.1M185 M186 T187 G193M185-G189 PolarHBondContact O-N 3.49Å; M186-G189 PolarHBondContact O-N 3.4Å; T187-G189 VanDerWaalsContact C-N 3.34Å; G189-G193 VanDerWaalsContact O-CA 3.23Å; G189-G193 WeakPolarHBondContact O-CA 3.37Å; G189-G193 PolarHBondContact O-N 2.68Å
190E93.6Very high91.8Very high19 Ų1958.8 Ų58.89%0.08934%0.336CS..Hα-helixtrans-68.3-40.8176.2-76-60.9140.100112.2M186 T187 F194 V195 H247 F250 P251M186-E190 HydrophobicContact CG-CG 4.47Å; M186-E190 WeakPolarHBondContact O-CB 3.43Å; M186-E190 WeakPolarHBondContact O-CG 3.48Å; M186-E190 PolarHBondContact O-N 3.22Å; T187-E190 PolarHBondContact O-N 3.44Å; E190-F194 PolarHBondContact O-N 3.04Å; E190-V195 PolarHBondContact O-N 2.76Å; E190-H247 VanDerWaalsContact CD-ND1 3.29Å; E190-H247 IonicContact OE1-CE1 3.74Å; E190-H247 IonicContact OE1-ND1 3.21Å; E190-H247 PolarHBondContact OE1-ND1 3.24Å; E190-H247 WeakPolarHBondContact OE2-CB 3.44Å; E190-H247 IonicContact OE2-CE1 3.99Å; E190-H247 IonicContact OE2-CG 3.42Å; E190-H247 IonicContact OE2-ND1 3.91Å; E190-H247 PolarHBondContact OE2-ND1 2.93Å; E190-F250 HydrophobicContact CG-CD1 4.2Å; E190-F250 WeakPolarHBondContact OE1-CD1 3.43Å; E190-P251 HydrophobicContact CG-CG 4.47Å
191L94.9Very high92.1Very high95 Ų9556.2 Ų56.250%0.49731%0.314SS..Iπ-helixtrans-63.4-45.7179.6-174.565.5000111.9T187 I188 V195 T196T187-L191 VanDerWaalsContact O-CB 3.29Å; T187-L191 WeakPolarHBondContact O-CB 3.37Å; T187-L191 PolarHBondContact O-N 3.46Å; I188-L191 PolarHBondContact O-N 3.25Å; L191-V195 HydrophobicContact CD1-CB 4.1Å; L191-V195 HydrophobicContact CD1-CG1 4.07Å; L191-T196 WeakPolarHBondContact O-CB 3.24Å; L191-T196 PolarHBondContact O-N 2.7Å; L191-T196 PolarHBondContact O-OG1 3Å
192I94.1Very high92.4Very high114 Ų11454.5 Ų54.559%0.58531%0.308SS*.Iπ-helixtrans-80.6-44.8-178.8-63.4175.2000110.8I188 P197I188-I192 HydrophobicContact CG2-CD1 3.66Å; I188-I192 HydrophobicContact CG2-CG1 4.42Å; I188-I192 WeakPolarHBondContact O-CB 3.44Å; I188-I192 WeakPolarHBondContact O-CG1 3.34Å; I188-I192 PolarHBondContact O-N 3.01Å; I192-P197 WeakPolarHBondContact O-CD 3.48Å
193G91.4Very high92.8Very high15 Ų1559.8 Ų59.816%0.15533%0.327CS..Iπ-helixtrans-80.8-19.1-17100000114.9G189G189-G193 VanDerWaalsContact O-CA 3.23Å; G189-G193 WeakPolarHBondContact O-CA 3.37Å; G189-G193 PolarHBondContact O-N 2.68Å
194F94.2Very high92.9Very high17 Ų1757.5 Ų57.58%0.07531%0.313CS..Iπ-helixtrans-136.8-52.9-178.8-178.8-107.2000114.3I106 E190 T196 P197 L198 F239 F243 A244 H247I106-F194 HydrophobicContact CD1-CD2 4.39Å; E190-F194 PolarHBondContact O-N 3.04Å; F194-T196 PolarHBondContact O-N 2.94Å; F194-P197 WeakPolarHBondContact O-CB 3.42Å; F194-P197 WeakPolarHBondContact O-CD 3.38Å; F194-L198 HydrophobicContact CE1-CD2 4.03Å; F194-L198 HydrophobicContact CZ-CD2 4.19Å; F194-L198 VanDerWaalsContact O-CB 3.31Å; F194-L198 WeakPolarHBondContact O-CB 3.44Å; F194-L198 PolarHBondContact O-N 2.86Å; F194-F239 HydrophobicContact CD2-CE1 4.07Å; F194-F239 HydrophobicContact CD2-CE2 4.5Å; F194-F239 AromaticContact CD2-CZ 3.62Å; F194-F239 HydrophobicContact CD2-CZ 3.62Å; F194-F239 HydrophobicContact CE2-CD1 4.33Å; F194-F239 AromaticContact CE2-CE1 3.33Å; F194-F239 HydrophobicContact CE2-CE1 3.33Å; F194-F239 HydrophobicContact CE2-CE2 4.37Å; F194-F239 AromaticContact CE2-CZ 3.37Å; F194-F239 HydrophobicContact CE2-CZ 3.37Å; F194-F239 AromaticContact CZ-CE1 3.84Å; F194-F239 HydrophobicContact CZ-CE1 3.84Å; F194-F239 HydrophobicContact CZ-CZ 4.25Å; F194-F243 HydrophobicContact CD2-CB 4.39Å; F194-F243 HydrophobicContact CE2-CB 3.94Å; F194-A244 HydrophobicContact CE2-CB 4.41Å; F194-A244 VanDerWaalsContact CZ-CA 3.41Å; F194-A244 HydrophobicContact CZ-CB 3.66Å; F194-H247 HydrophobicContact CB-CB 4.1Å; F194-H247 HydrophobicContact CD1-CB 3.42Å; F194-H247 VanDerWaalsContact CD1-CB 3.42Å; F194-H247 AromaticContact CD1-CG 3.82Å; F194-H247 HydrophobicContact CD2-CB 3.95Å; F194-H247 AromaticContact CD2-CD2 3.1Å; F194-H247 WeakPolarHBondContact CD2-CD2 3.38Å; F194-H247 AromaticContact CD2-CG 3.55Å; F194-H247 AromaticContact CD2-NE2 3.77Å; F194-H247 HydrophobicContact CE1-CB 3.79Å; F194-H247 HydrophobicContact CE2-CB 4.25Å; F194-H247 AromaticContact CE2-CD2 3.7Å; F194-H247 HydrophobicContact CG-CB 3.53Å; F194-H247 AromaticContact CG-CD2 3.42Å; F194-H247 VanDerWaalsContact CG-CD2 3.42Å; F194-H247 WeakPolarHBondContact CG-CD2 3.45Å; F194-H247 AromaticContact CG-CG 3.33Å; F194-H247 AromaticContact CG-ND1 3.94Å; F194-H247 HydrophobicContact CZ-CB 4.21Å
195V95.5Very high92.8Very high54 Ų5454.5 Ų54.533%0.32730%0.295SS..Iπ-helixtrans-63.6-45.5-174.1178.70000111.3E190 L191 L198 L199E190-V195 PolarHBondContact O-N 2.76Å; L191-V195 HydrophobicContact CD1-CB 4.1Å; L191-V195 HydrophobicContact CD1-CG1 4.07Å; V195-L198 WeakPolarHBondContact O-CB 2.95Å; V195-L198 PolarHBondContact O-N 3.16Å; V195-L199 HydrophobicContact CG1-CD1 4.17Å; V195-L199 HydrophobicContact CG1-CG 4.43Å; V195-L199 WeakPolarHBondContact O-CG 3.3Å; V195-L199 PolarHBondContact O-N 3.37Å
196T96.2Very high92.9Very high63 Ų6358 Ų5839%0.38730%0.303SS..Hα-helixtrans-61.5-51.6177.3-59.30000111.8L191 F194 L198 L199 I200L191-T196 WeakPolarHBondContact O-CB 3.24Å; L191-T196 PolarHBondContact O-N 2.7Å; L191-T196 PolarHBondContact O-OG1 3Å; F194-T196 PolarHBondContact O-N 2.94Å; T196-L198 VanDerWaalsContact C-N 3.33Å; T196-L198 PolarHBondContact O-N 2.87Å; T196-L199 PolarHBondContact O-N 3.25Å; T196-I200 HydrophobicContact CG2-CD1 4.13Å; T196-I200 WeakPolarHBondContact O-CG1 3.42Å; T196-I200 PolarHBondContact O-N 2.89Å; T196-I200 VanDerWaalsContact O-N 3.11Å
197P95.5Very high92.9Very high16 Ų1660.6 Ų60.610%0.10431%0.314CS..Hα-helixtrans-49.3-47.5169.5-33.536.8000114.6I106 V110 I192 F194 L199 I200 V201 F239I106-P197 HydrophobicContact CG2-CB 3.63Å; I106-P197 HydrophobicContact CG2-CG 3.73Å; V110-P197 HydrophobicContact CG2-CB 3.69Å; I192-P197 WeakPolarHBondContact O-CD 3.48Å; F194-P197 WeakPolarHBondContact O-CB 3.42Å; F194-P197 WeakPolarHBondContact O-CD 3.38Å; P197-L199 PolarHBondContact O-N 2.9Å; P197-I200 PolarHBondContact O-N 3.28Å; P197-V201 WeakPolarHBondContact O-CG2 3.3Å; P197-V201 PolarHBondContact O-N 3.37Å; P197-F239 HydrophobicContact CB-CE2 4.11Å; P197-F239 HydrophobicContact CB-CZ 4.07Å
198L94.9Very high92.5Very high33 Ų3356.8 Ų56.817%0.17329%0.29CS..Hα-helixtrans-59.6-49-179.7174.362.3000111.1F194 V195 T196 I200 V201 L202 F239 L240F194-L198 HydrophobicContact CE1-CD2 4.03Å; F194-L198 HydrophobicContact CZ-CD2 4.19Å; F194-L198 VanDerWaalsContact O-CB 3.31Å; F194-L198 WeakPolarHBondContact O-CB 3.44Å; F194-L198 PolarHBondContact O-N 2.86Å; V195-L198 WeakPolarHBondContact O-CB 2.95Å; V195-L198 PolarHBondContact O-N 3.16Å; T196-L198 VanDerWaalsContact C-N 3.33Å; T196-L198 PolarHBondContact O-N 2.87Å; L198-I200 VanDerWaalsContact C-N 3.29Å; L198-I200 PolarHBondContact O-N 2.8Å; L198-V201 PolarHBondContact O-N 2.93Å; L198-L202 HydrophobicContact CD1-CD1 3.85Å; L198-L202 HydrophobicContact CD1-CD2 4.47Å; L198-L202 HydrophobicContact CD1-CG 3.92Å; L198-L202 HydrophobicContact CG-CD1 3.94Å; L198-L202 HydrophobicContact CG-CG 4.36Å; L198-L202 WeakPolarHBondContact O-CB 3.26Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.2Å; L198-L202 PolarHBondContact O-N 3.5Å; L198-F239 HydrophobicContact CB-CE1 3.72Å; L198-F239 HydrophobicContact CB-CZ 4.05Å; L198-F239 HydrophobicContact CD1-CD1 4.03Å; L198-F239 HydrophobicContact CD1-CE1 3.62Å; L198-F239 HydrophobicContact CG-CE1 4.22Å; L198-L240 HydrophobicContact CD1-CD2 3.55Å
199L95.6Very high92.2Very high106 Ų10654.9 Ų54.956%0.55528%0.283SS*.Hα-helixtrans-60.5-39.1179-69.3175.9000111.9V195 T196 P197 Y203V195-L199 HydrophobicContact CG1-CD1 4.17Å; V195-L199 HydrophobicContact CG1-CG 4.43Å; V195-L199 WeakPolarHBondContact O-CG 3.3Å; V195-L199 PolarHBondContact O-N 3.37Å; T196-L199 PolarHBondContact O-N 3.25Å; P197-L199 PolarHBondContact O-N 2.9Å; L199-Y203 WeakPolarHBondContact O-CB 3.3Å; L199-Y203 PolarHBondContact O-N 2.9Å
200I95.6Very high91.9Very high63 Ų6356.5 Ų56.532%0.32328%0.284SS..Hα-helixtrans-63.7-48.3176.6-65.1165.7000110.7V110 V114 T196 P197 L198 Y203 C204V110-I200 HydrophobicContact CG1-CB 4.26Å; V110-I200 HydrophobicContact CG1-CD1 4.29Å; V110-I200 HydrophobicContact CG1-CG2 3.74Å; V114-I200 HydrophobicContact CG2-CG2 3.56Å; T196-I200 HydrophobicContact CG2-CD1 4.13Å; T196-I200 WeakPolarHBondContact O-CG1 3.42Å; T196-I200 PolarHBondContact O-N 2.89Å; T196-I200 VanDerWaalsContact O-N 3.11Å; P197-I200 PolarHBondContact O-N 3.28Å; L198-I200 VanDerWaalsContact C-N 3.29Å; L198-I200 PolarHBondContact O-N 2.8Å; I200-Y203 PolarHBondContact O-N 3.41Å; I200-C204 WeakPolarHBondContact O-CB 3.45Å; I200-C204 PolarHBondContact O-N 3.15Å; I200-C204 PolarHBondContact O-SG 3.32Å; I200-C204 VanDerWaalsContact O-SG 3.39Å
201V92.2Very high91.2Very high3 Ų356.9 Ų56.92%0.01829%0.288CS..Hα-helixtrans-63-44.4180172.50000111.2V110 P197 L198 C204 T205 A236V110-V201 HydrophobicContact CG2-CG2 3.87Å; P197-V201 WeakPolarHBondContact O-CG2 3.3Å; P197-V201 PolarHBondContact O-N 3.37Å; L198-V201 PolarHBondContact O-N 2.93Å; V201-C204 PolarHBondContact O-N 3.43Å; V201-T205 WeakPolarHBondContact O-CB 3.48Å; V201-T205 PolarHBondContact O-N 3.15Å; V201-T205 PolarHBondContact O-OG1 3.23Å; V201-A236 HydrophobicContact CG1-CB 3.61Å
202L92.7Very high90.2Very high78 Ų7854 Ų5441%0.40827%0.274SS..Hα-helixtrans-63.1-42.9176.7-69.6178.7000111.6L198 T205 W206L198-L202 HydrophobicContact CD1-CD1 3.85Å; L198-L202 HydrophobicContact CD1-CD2 4.47Å; L198-L202 HydrophobicContact CD1-CG 3.92Å; L198-L202 HydrophobicContact CG-CD1 3.94Å; L198-L202 HydrophobicContact CG-CG 4.36Å; L198-L202 WeakPolarHBondContact O-CB 3.26Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.2Å; L198-L202 PolarHBondContact O-N 3.5Å; L202-T205 PolarHBondContact O-N 3.45Å; L202-W206 VanDerWaalsContact O-CB 3.26Å; L202-W206 WeakPolarHBondContact O-CB 3.21Å; L202-W206 PolarHBondContact O-N 3.19Å
203Y93.5Very high89.4Confident127 Ų12755.1 Ų55.150%0.49828%0.276SS..Hα-helixtrans-62-47.9176.5175.6-97.9000112.1L199 I200 T205 W206 K207L199-Y203 WeakPolarHBondContact O-CB 3.3Å; L199-Y203 PolarHBondContact O-N 2.9Å; I200-Y203 PolarHBondContact O-N 3.41Å; Y203-T205 VanDerWaalsContact C-N 3.32Å; Y203-T205 PolarHBondContact O-N 3.08Å; Y203-W206 PolarHBondContact O-N 3.11Å; Y203-K207 HydrophobicContact CD2-CG 4.28Å; Y203-K207 HydrophobicContact CE1-CG 4.08Å; Y203-K207 HydrophobicContact CE2-CD 4.35Å; Y203-K207 HydrophobicContact CE2-CG 3.8Å; Y203-K207 WeakPolarHBondContact O-CB 3.43Å; Y203-K207 WeakPolarHBondContact O-CG 3.36Å; Y203-K207 PolarHBondContact O-N 3.47Å; Y203-K207 VanDerWaalsContact OH-CE 3.3Å; Y203-K207 WeakPolarHBondContact OH-CE 3.48Å
204C89.7Confident88.5Confident5 Ų560.2 Ų60.23%0.03430%0.3CS..Hα-helixtrans-58.3-46.4175.7-74.40000111F117 I200 V201 T208F117-C204 HydrophobicContact CB-CB 4.11Å; F117-C204 HydrophobicContact CG-CB 4.3Å; I200-C204 WeakPolarHBondContact O-CB 3.45Å; I200-C204 PolarHBondContact O-N 3.15Å; I200-C204 PolarHBondContact O-SG 3.32Å; I200-C204 VanDerWaalsContact O-SG 3.39Å; V201-C204 PolarHBondContact O-N 3.43Å; C204-T208 WeakPolarHBondContact O-CB 3.39Å; C204-T208 PolarHBondContact O-N 2.91Å; C204-T208 PolarHBondContact O-OG1 2.9Å
205T88.4Confident86.6Confident18 Ų1868.1 Ų68.111%0.1133%0.334CS..Hα-helixtrans-60.8-51.2178.8-55.60000111.2V201 L202 Y203 K207 T208 V209 I232 L233V201-T205 WeakPolarHBondContact O-CB 3.48Å; V201-T205 PolarHBondContact O-N 3.15Å; V201-T205 PolarHBondContact O-OG1 3.23Å; L202-T205 PolarHBondContact O-N 3.45Å; Y203-T205 VanDerWaalsContact C-N 3.32Å; Y203-T205 PolarHBondContact O-N 3.08Å; T205-K207 PolarHBondContact O-N 3.46Å; T205-T208 PolarHBondContact O-N 2.91Å; T205-V209 WeakPolarHBondContact O-CG2 3.09Å; T205-V209 PolarHBondContact O-N 3.32Å; T205-I232 WeakPolarHBondContact OG1-CG2 3.34Å; T205-L233 HydrophobicContact CG2-CD1 4.38Å
206W89.8Confident84.8Confident161 Ų16176.2 Ų76.261%0.6136%0.361SS*.Hα-helixtrans-56.4-51.5179.4174.2-104.9000112L202 Y203 T208 V209 L210L202-W206 VanDerWaalsContact O-CB 3.26Å; L202-W206 WeakPolarHBondContact O-CB 3.21Å; L202-W206 PolarHBondContact O-N 3.19Å; Y203-W206 PolarHBondContact O-N 3.11Å; W206-T208 PolarHBondContact O-N 3.32Å; W206-V209 PolarHBondContact O-N 3.27Å; W206-L210 HydrophobicContact CD2-CD1 4.39Å; W206-L210 HydrophobicContact CZ2-CD1 4.01Å; W206-L210 HydrophobicContact CZ2-CD2 4.25Å; W206-L210 HydrophobicContact CZ2-CG 4.35Å; W206-L210 VanDerWaalsContact NE1-CD1 3.29Å; W206-L210 WeakPolarHBondContact O-CG 3.45Å; W206-L210 PolarHBondContact O-N 2.97Å
207K88.1Confident83Confident82 Ų8275.3 Ų75.336%0.35736%0.356SS..Hα-helixtrans-64.9-37.7179.8-73-66.8-162177.20112.5F117 M121 Y203 T205 L210 S211F117-K207 HydrophobicContact CD2-CB 4.33Å; F117-K207 HydrophobicContact CE2-CB 3.5Å; F117-K207 VanDerWaalsContact CE2-CB 3.5Å; F117-K207 HydrophobicContact CE2-CG 4.35Å; F117-K207 HydrophobicContact CZ-CB 4.19Å; M121-K207 HydrophobicContact CE-CB 4.39Å; M121-K207 VanDerWaalsContact CE-O 3.26Å; M121-K207 WeakPolarHBondContact CE-O 3.27Å; Y203-K207 HydrophobicContact CD2-CG 4.28Å; Y203-K207 HydrophobicContact CE1-CG 4.08Å; Y203-K207 HydrophobicContact CE2-CD 4.35Å; Y203-K207 HydrophobicContact CE2-CG 3.8Å; Y203-K207 WeakPolarHBondContact O-CB 3.43Å; Y203-K207 WeakPolarHBondContact O-CG 3.36Å; Y203-K207 PolarHBondContact O-N 3.47Å; Y203-K207 VanDerWaalsContact OH-CE 3.3Å; Y203-K207 WeakPolarHBondContact OH-CE 3.48Å; T205-K207 PolarHBondContact O-N 3.46Å; K207-L210 PolarHBondContact O-N 3.25Å; K207-S211 PolarHBondContact O-N 3.4Å
208T82.9Confident81.3Confident0 Ų081.9 Ų81.90%039%0.387CS..Hα-helixtrans-64.9-41.8175.3-65.80000111.9L120 C204 T205 W206 S211 L212 L229 I232L120-T208 HydrophobicContact CD2-CG2 3.69Å; C204-T208 WeakPolarHBondContact O-CB 3.39Å; C204-T208 PolarHBondContact O-N 2.91Å; C204-T208 PolarHBondContact O-OG1 2.9Å; T205-T208 PolarHBondContact O-N 2.91Å; W206-T208 PolarHBondContact O-N 3.32Å; T208-S211 PolarHBondContact O-N 3.49Å; T208-L212 PolarHBondContact O-N 3.13Å; T208-L229 HydrophobicContact CG2-CB 3.91Å; T208-L229 HydrophobicContact CG2-CD1 3.78Å; T208-L229 HydrophobicContact CG2-CG 4.46Å; T208-I232 HydrophobicContact CG2-CD1 4.11Å; T208-I232 WeakPolarHBondContact OG1-CD1 3.4Å
209V85.5Confident79.6Confident51 Ų5184.7 Ų84.731%0.30942%0.415SS..Hα-helixtrans-62-44.5175.41710000111T205 W206 S211 L212 L229T205-V209 WeakPolarHBondContact O-CG2 3.09Å; T205-V209 PolarHBondContact O-N 3.32Å; W206-V209 PolarHBondContact O-N 3.27Å; V209-S211 VanDerWaalsContact C-N 3.35Å; V209-S211 PolarHBondContact O-N 3.07Å; V209-L212 WeakPolarHBondContact O-CB 2.98Å; V209-L212 PolarHBondContact O-N 3.13Å; V209-L229 HydrophobicContact CG2-CD1 3.51Å
210L85.3Confident77.8Confident66 Ų6688.1 Ų88.135%0.34643%0.428SS..Hα-helixtrans-61.5-40.5177.6-73.1178.3000112.7W206 K207 L212 Q213W206-L210 HydrophobicContact CD2-CD1 4.39Å; W206-L210 HydrophobicContact CZ2-CD1 4.01Å; W206-L210 HydrophobicContact CZ2-CD2 4.25Å; W206-L210 HydrophobicContact CZ2-CG 4.35Å; W206-L210 VanDerWaalsContact NE1-CD1 3.29Å; W206-L210 WeakPolarHBondContact O-CG 3.45Å; W206-L210 PolarHBondContact O-N 2.97Å; K207-L210 PolarHBondContact O-N 3.25Å; L210-L212 PolarHBondContact O-N 3.01Å; L210-Q213 PolarHBondContact O-N 3.39Å
211S79.2Confident76.4Confident27 Ų2788.1 Ų88.119%0.18943%0.429CS..Hα-helixtrans-64.3-23.2179-179.50000113.7M121 K207 T208 V209M121-S211 VanDerWaalsContact CE-CB 3.45Å; K207-S211 PolarHBondContact O-N 3.4Å; T208-S211 PolarHBondContact O-N 3.49Å; V209-S211 VanDerWaalsContact C-N 3.35Å; V209-S211 PolarHBondContact O-N 3.07Å
212L75Confident75.5Confident36 Ų3690.8 Ų90.819%0.18844%0.442CS..Hα-helixtrans-80.4-19.6175.2-83.7165.2000113.5T208 V209 L210 D214 L222 K225 Q226 L229T208-L212 PolarHBondContact O-N 3.13Å; V209-L212 WeakPolarHBondContact O-CB 2.98Å; V209-L212 PolarHBondContact O-N 3.13Å; L210-L212 PolarHBondContact O-N 3.01Å; L212-D214 VanDerWaalsContact C-N 3.27Å; L212-L222 HydrophobicContact CD2-CD1 3.95Å; L212-K225 HydrophobicContact CD2-CB 3.59Å; L212-K225 HydrophobicContact CD2-CD 4.42Å; L212-K225 HydrophobicContact CG-CB 4.35Å; L212-Q226 HydrophobicContact CD2-CG 4.37Å; L212-L229 HydrophobicContact CD1-CB 3.61Å; L212-L229 HydrophobicContact CD1-CD1 4.39Å; L212-L229 HydrophobicContact CD1-CD2 3.23Å; L212-L229 HydrophobicContact CD1-CG 3.86Å
213Q75.9Confident74.6Confident137 Ų13789 Ų8964%0.6444%0.444SS*.SBendtrans-83.5-6.8176.8-66178.8-17.900112.5L210L210-Q213 PolarHBondContact O-N 3.39Å
214D72.4Confident73.6Confident122 Ų12287.5 Ų87.565%0.65244%0.441SS*.SBendtrans-72.1134.7-179.9-144.3-9.6000111L212 Y216 P217L212-D214 VanDerWaalsContact C-N 3.27Å; D214-Y216 VanDerWaalsContact C-N 3.33Å; D214-Y216 PolarHBondContact O-N 2.97Å; D214-P217 WeakPolarHBondContact O-CD 3.46Å
215K55.1Low72.9Confident182 Ų18288.6 Ų88.679%0.79145%0.445SS*.SBendtrans-77.5-3.8-158.4-83.2-176.4177.2-179.10116.3
216Y57.6Low72.4Confident225 Ų22593.1 Ų93.188%0.88247%0.465SS*.  trans-13360.4-176.8-71.2-87.6000115.1D214D214-Y216 VanDerWaalsContact C-N 3.33Å; D214-Y216 PolarHBondContact O-N 2.97Å
217P58.3Low71.8Confident43 Ų4388.2 Ų88.228%0.27945%0.448SS..  trans-84.2133.2166.527.7-19000110.6D214 A219 L222D214-P217 WeakPolarHBondContact O-CD 3.46Å; P217-A219 PolarHBondContact O-N 3.28Å; P217-L222 HydrophobicContact CG-CD1 4.11Å
218M60Low71.3Confident155 Ų15584.8 Ų84.876%0.76444%0.435SS*.  trans-56.2139.7163.2-99.8-167.8-174.300109.1Q220 D221 L222M218-Q220 PolarHBondContact O-N 3.04Å; M218-D221 HydrophobicContact CB-CB 4.36Å; M218-D221 WeakPolarHBondContact O-CB 3.35Å; M218-D221 PolarHBondContact O-N 3.44Å; M218-L222 PolarHBondContact O-N 3.36Å; M218-L222 VanDerWaalsContact O-N 3.15Å
219A57.9Low71.2Confident92 Ų9286.4 Ų86.476%0.7644%0.444SS*.Hα-helixtrans-54.5-30.6-176.500000114P217P217-A219 PolarHBondContact O-N 3.28Å
220Q58.6Low71.1Confident177 Ų17789 Ų8983%0.82745%0.451SS*.Hα-helixtrans-75.9-29.4178.3-151.8169-5.900113.1M218M218-Q220 PolarHBondContact O-N 3.04Å
221D67.3Low70.9Confident63 Ų6386 Ų8634%0.33744%0.435SS..Hα-helixtrans-76.3-31.5174.9-179.844.3000111.3M218 G223 E224 K225M218-D221 HydrophobicContact CB-CB 4.36Å; M218-D221 WeakPolarHBondContact O-CB 3.35Å; M218-D221 PolarHBondContact O-N 3.44Å; D221-G223 PolarHBondContact O-N 3.09Å; D221-E224 PolarHBondContact O-N 3.41Å; D221-K225 VanDerWaalsContact O-CB 3.31Å; D221-K225 WeakPolarHBondContact O-CB 3.31Å; D221-K225 VanDerWaalsContact O-CG 3.27Å; D221-K225 WeakPolarHBondContact O-CG 3.22Å; D221-K225 PolarHBondContact O-N 2.93Å; D221-K225 WeakPolarHBondContact OD2-CD 3.33Å; D221-K225 WeakPolarHBondContact OD2-CE 3.47Å; D221-K225 IonicContact OD2-NZ 3.38Å; D221-K225 PolarHBondContact OD2-NZ 2.82Å
222L71.9Confident71.2Confident59 Ų5984.8 Ų84.831%0.30943%0.426SS..Hα-helixtrans-61.8-39.5179.1-170.863.6000113L212 P217 M218 K225 Q226L212-L222 HydrophobicContact CD2-CD1 3.95Å; P217-L222 HydrophobicContact CG-CD1 4.11Å; M218-L222 PolarHBondContact O-N 3.36Å; M218-L222 VanDerWaalsContact O-N 3.15Å; L222-K225 PolarHBondContact O-N 2.94Å; L222-Q226 WeakPolarHBondContact O-CB 3.39Å; L222-Q226 VanDerWaalsContact O-CG 3.32Å; L222-Q226 WeakPolarHBondContact O-CG 3.28Å; L222-Q226 PolarHBondContact O-N 2.88Å
223G73.5Confident71.8Confident42 Ų4287.9 Ų87.943%0.43344%0.442SS..Hα-helixtrans-67.3-44.7179.900000113.7D221 K227D221-G223 PolarHBondContact O-N 3.09Å; G223-K227 WeakPolarHBondContact O-CB 3.31Å; G223-K227 PolarHBondContact O-N 3.25Å
224E72.4Confident72.3Confident95 Ų9582.5 Ų82.544%0.44442%0.419SS..Hα-helixtrans-68.3-37175.1-74-67.6138.500111.3D221 K227 A228D221-E224 PolarHBondContact O-N 3.41Å; E224-K227 PolarHBondContact O-N 3.33Å; E224-A228 WeakPolarHBondContact O-CB 3.42Å; E224-A228 PolarHBondContact O-N 2.96Å
225K75.9Confident73Confident28 Ų2876.8 Ų76.812%0.12239%0.388CS..Hα-helixtrans-60.3-48.5172.2-78.9175.5167.4171.20113.2L120 L212 D221 L222 K227 A228 L229L120-K225 HydrophobicContact CD1-CB 4.1Å; L120-K225 HydrophobicContact CD1-CG 3.52Å; L120-K225 HydrophobicContact CD2-CG 4.17Å; L120-K225 HydrophobicContact CG-CG 4Å; L212-K225 HydrophobicContact CD2-CB 3.59Å; L212-K225 HydrophobicContact CD2-CD 4.42Å; L212-K225 HydrophobicContact CG-CB 4.35Å; D221-K225 VanDerWaalsContact O-CB 3.31Å; D221-K225 WeakPolarHBondContact O-CB 3.31Å; D221-K225 VanDerWaalsContact O-CG 3.27Å; D221-K225 WeakPolarHBondContact O-CG 3.22Å; D221-K225 PolarHBondContact O-N 2.93Å; D221-K225 WeakPolarHBondContact OD2-CD 3.33Å; D221-K225 WeakPolarHBondContact OD2-CE 3.47Å; D221-K225 IonicContact OD2-NZ 3.38Å; D221-K225 PolarHBondContact OD2-NZ 2.82Å; L222-K225 PolarHBondContact O-N 2.94Å; K225-K227 VanDerWaalsContact C-N 3.31Å; K225-K227 PolarHBondContact O-N 2.83Å; K225-A228 PolarHBondContact O-N 2.85Å; K225-L229 WeakPolarHBondContact O-CB 3.21Å; K225-L229 PolarHBondContact O-N 3.12Å
226Q78Confident74.7Confident113 Ų11368.4 Ų68.453%0.52835%0.353SS..Hα-helixtrans-62.1-39.8177-77.6-179.7-7.900112L212 L222 L229 K230L212-Q226 HydrophobicContact CD2-CG 4.37Å; L222-Q226 WeakPolarHBondContact O-CB 3.39Å; L222-Q226 VanDerWaalsContact O-CG 3.32Å; L222-Q226 WeakPolarHBondContact O-CG 3.28Å; L222-Q226 PolarHBondContact O-N 2.88Å; Q226-L229 PolarHBondContact O-N 3.42Å; Q226-K230 WeakPolarHBondContact O-CB 3.29Å; Q226-K230 PolarHBondContact O-N 3.17Å
227K77.8Confident76.2Confident57 Ų5759 Ų5925%0.24832%0.324CS..Hα-helixtrans-64.4-46.8176.2-177.5-179.3169.3-170.90111.9G223 E224 K225 K230 M231 N297G223-K227 WeakPolarHBondContact O-CB 3.31Å; G223-K227 PolarHBondContact O-N 3.25Å; E224-K227 PolarHBondContact O-N 3.33Å; K225-K227 VanDerWaalsContact C-N 3.31Å; K225-K227 PolarHBondContact O-N 2.83Å; K227-K230 PolarHBondContact O-N 3.45Å; K227-M231 PolarHBondContact O-N 2.68Å; K227-N297 WeakPolarHBondContact CE-OD1 3.47Å; K227-N297 PolarHBondContact NZ-ND2 3.37Å; K227-N297 PolarHBondContact NZ-OD1 3.46Å
228A76.1Confident77.7Confident10 Ų1057.5 Ų57.58%0.08331%0.314CS..Hα-helixtrans-62.2-42.9176.800000111.8L120 E224 K225 M231 I232L120-A228 HydrophobicContact CD1-CB 3.8Å; L120-A228 HydrophobicContact CD2-CB 4.42Å; E224-A228 WeakPolarHBondContact O-CB 3.42Å; E224-A228 PolarHBondContact O-N 2.96Å; K225-A228 PolarHBondContact O-N 2.85Å; A228-M231 WeakPolarHBondContact O-CB 3.34Å; A228-M231 PolarHBondContact O-N 3.35Å; A228-I232 WeakPolarHBondContact O-CG1 3.02Å; A228-I232 PolarHBondContact O-N 3.03Å
229L81.8Confident79.1Confident35 Ų3550.1 Ų50.118%0.18328%0.278CS..Hα-helixtrans-58.9-50.7174.3173.268.3000110.9T208 V209 L212 K225 Q226 M231 I232 L233T208-L229 HydrophobicContact CG2-CB 3.91Å; T208-L229 HydrophobicContact CG2-CD1 3.78Å; T208-L229 HydrophobicContact CG2-CG 4.46Å; V209-L229 HydrophobicContact CG2-CD1 3.51Å; L212-L229 HydrophobicContact CD1-CB 3.61Å; L212-L229 HydrophobicContact CD1-CD1 4.39Å; L212-L229 HydrophobicContact CD1-CD2 3.23Å; L212-L229 HydrophobicContact CD1-CG 3.86Å; K225-L229 WeakPolarHBondContact O-CB 3.21Å; K225-L229 PolarHBondContact O-N 3.12Å; Q226-L229 PolarHBondContact O-N 3.42Å; L229-M231 PolarHBondContact O-N 2.93Å; L229-I232 PolarHBondContact O-N 3.2Å; L229-I232 VanDerWaalsContact O-N 3.17Å; L229-L233 WeakPolarHBondContact O-CB 3.37Å; L229-L233 PolarHBondContact O-N 2.9Å
230K83.4Confident80.8Confident106 Ų10649.1 Ų49.146%0.46126%0.26SS..Hα-helixtrans-55.3-39.6179.6-173.5173.3-172.8175.60111Q226 K227 T234 F294Q226-K230 WeakPolarHBondContact O-CB 3.29Å; Q226-K230 PolarHBondContact O-N 3.17Å; K227-K230 PolarHBondContact O-N 3.45Å; K230-T234 WeakPolarHBondContact O-CB 3.44Å; K230-T234 PolarHBondContact O-N 2.91Å; K230-T234 PolarHBondContact O-OG1 3.5Å; K230-F294 HydrophobicContact CD-CD1 3.8Å; K230-F294 HydrophobicContact CD-CE1 4.13Å; K230-F294 HydrophobicContact CD-CG 4.23Å; K230-F294 HydrophobicContact CG-CD1 4.43Å; K230-F294 HydrophobicContact CG-CG 4.36Å
231M81.6Confident82.4Confident3 Ų345.6 Ų45.62%0.01525%0.245CC..Hα-helixtrans-68.3-47.5178.5-150.4-15977.900112.6I112 R116 K227 A228 L229 L233 T234 C235 S295I112-M231 HydrophobicContact CG2-CE 3.37Å; R116-M231 HydrophobicContact CB-CE 3.94Å; R116-M231 HydrophobicContact CG-CE 3.25Å; R116-M231 HydrophobicContact CG-SD 4.2Å; R116-M231 VanDerWaalsContact NE-CE 3.31Å; R116-M231 PolarHBondContact NE-SD 3.38Å; K227-M231 PolarHBondContact O-N 2.68Å; A228-M231 WeakPolarHBondContact O-CB 3.34Å; A228-M231 PolarHBondContact O-N 3.35Å; L229-M231 PolarHBondContact O-N 2.93Å; M231-L233 VanDerWaalsContact C-N 3.33Å; M231-L233 PolarHBondContact O-N 3.48Å; M231-T234 PolarHBondContact O-N 2.91Å; M231-C235 PolarHBondContact O-N 3.35Å; M231-C235 PolarHBondContact O-SG 3.39Å; M231-C235 VanDerWaalsContact O-SG 3.39Å; M231-S295 WeakPolarHBondContact SD-CA 3.12Å; M231-S295 WeakPolarHBondContact SD-CB 3.39Å; M231-S295 PolarHBondContact SD-OG 2.83Å
232I85.4Confident83.7Confident0 Ų042.6 Ų42.60%023%0.23CC..Hα-helixtrans-61.7-42.4176.8-68.4166.5000110.6R116 F117 T205 T208 A228 L229 T234 C235 A236R116-I232 HydrophobicContact CB-CD1 4.16Å; R116-I232 HydrophobicContact CB-CG1 4.12Å; F117-I232 HydrophobicContact CB-CD1 4.4Å; T205-I232 WeakPolarHBondContact OG1-CG2 3.34Å; T208-I232 HydrophobicContact CG2-CD1 4.11Å; T208-I232 WeakPolarHBondContact OG1-CD1 3.4Å; A228-I232 WeakPolarHBondContact O-CG1 3.02Å; A228-I232 PolarHBondContact O-N 3.03Å; L229-I232 PolarHBondContact O-N 3.2Å; L229-I232 VanDerWaalsContact O-N 3.17Å; I232-T234 VanDerWaalsContact C-N 3.34Å; I232-T234 PolarHBondContact O-N 3.44Å; I232-C235 PolarHBondContact O-N 3.47Å; I232-A236 WeakPolarHBondContact O-CB 3.43Å; I232-A236 PolarHBondContact O-N 3.38Å
233L87.3Confident84.8Confident101 Ų10139.8 Ų39.853%0.52922%0.215SC..Hα-helixtrans-65.1-37.4176.6-17365000111.9T205 L229 M231 A236 G237T205-L233 HydrophobicContact CG2-CD1 4.38Å; L229-L233 WeakPolarHBondContact O-CB 3.37Å; L229-L233 PolarHBondContact O-N 2.9Å; M231-L233 VanDerWaalsContact C-N 3.33Å; M231-L233 PolarHBondContact O-N 3.48Å; L233-A236 PolarHBondContact O-N 3.16Å; L233-G237 PolarHBondContact O-N 3.42Å
234T86.9Confident85.8Confident25 Ų2539 Ų3915%0.15320%0.204CC..Hα-helixtrans-65.1-46174.1-530000110.5K230 M231 I232 A236 G237 V238 V290 I291 F294K230-T234 WeakPolarHBondContact O-CB 3.44Å; K230-T234 PolarHBondContact O-N 2.91Å; K230-T234 PolarHBondContact O-OG1 3.5Å; M231-T234 PolarHBondContact O-N 2.91Å; I232-T234 VanDerWaalsContact C-N 3.34Å; I232-T234 PolarHBondContact O-N 3.44Å; T234-A236 VanDerWaalsContact C-N 3.34Å; T234-A236 PolarHBondContact O-N 2.87Å; T234-G237 PolarHBondContact O-N 3.31Å; T234-V238 HydrophobicContact CG2-CG2 4.41Å; T234-V238 VanDerWaalsContact O-CG2 3.28Å; T234-V238 WeakPolarHBondContact O-CG2 3.2Å; T234-V238 PolarHBondContact O-N 3.43Å; T234-V290 HydrophobicContact CG2-CG1 4.23Å; T234-I291 HydrophobicContact CG2-CG1 3.88Å; T234-F294 HydrophobicContact CG2-CD2 4.18Å
235C86.4Confident87Confident1 Ų135.8 Ų35.81%0.00719%0.191CC..Hα-helixtrans-58.5-44.8174.7-68.80000111.7L109 M231 I232 F239L109-C235 HydrophobicContact CD2-CB 4.28Å; M231-C235 PolarHBondContact O-N 3.35Å; M231-C235 PolarHBondContact O-SG 3.39Å; M231-C235 VanDerWaalsContact O-SG 3.39Å; I232-C235 PolarHBondContact O-N 3.47Å; C235-F239 WeakPolarHBondContact O-CB 3.19Å; C235-F239 PolarHBondContact O-N 2.92Å
236A89.8Confident87.9Confident6 Ų634.5 Ų34.55%0.0519%0.186CC..Hα-helixtrans-63.7-42.8176.800000112.2V201 I232 L233 T234 F239 L240V201-A236 HydrophobicContact CG1-CB 3.61Å; I232-A236 WeakPolarHBondContact O-CB 3.43Å; I232-A236 PolarHBondContact O-N 3.38Å; L233-A236 PolarHBondContact O-N 3.16Å; T234-A236 VanDerWaalsContact C-N 3.34Å; T234-A236 PolarHBondContact O-N 2.87Å; A236-F239 PolarHBondContact O-N 3.04Å; A236-L240 WeakPolarHBondContact O-CB 3.36Å; A236-L240 VanDerWaalsContact O-CG 3.24Å; A236-L240 WeakPolarHBondContact O-CG 3.38Å; A236-L240 PolarHBondContact O-N 3.04Å
237G90.8Very high88.8Confident27 Ų2729.3 Ų29.328%0.27816%0.162SC..Hα-helixtrans-61.5-49.417700000112.3L233 T234 F239 L240 I241L233-G237 PolarHBondContact O-N 3.42Å; T234-G237 PolarHBondContact O-N 3.31Å; G237-F239 VanDerWaalsContact C-N 3.34Å; G237-F239 PolarHBondContact O-N 2.75Å; G237-L240 PolarHBondContact O-N 3.45Å; G237-I241 WeakPolarHBondContact O-CB 3.24Å; G237-I241 VanDerWaalsContact O-CG1 3.23Å; G237-I241 WeakPolarHBondContact O-CG1 3.49Å; G237-I241 PolarHBondContact O-N 3.42Å
238V89.4Confident89.6Confident12 Ų1233.4 Ų33.47%0.07318%0.179CC..Hα-helixtrans-60.3-46.4176.2173.30000110.2L109 T234 L240 I241 C242 N284 L287 I291L109-V238 HydrophobicContact CD1-CG1 4.43Å; T234-V238 HydrophobicContact CG2-CG2 4.41Å; T234-V238 VanDerWaalsContact O-CG2 3.28Å; T234-V238 WeakPolarHBondContact O-CG2 3.2Å; T234-V238 PolarHBondContact O-N 3.43Å; V238-L240 PolarHBondContact O-N 3.37Å; V238-I241 PolarHBondContact O-N 2.82Å; V238-C242 WeakPolarHBondContact O-CB 3.31Å; V238-C242 PolarHBondContact O-N 3.38Å; V238-C242 PolarHBondContact O-SG 2.81Å; V238-N284 WeakPolarHBondContact CG1-OD1 3.36Å; V238-L287 HydrophobicContact CG1-CB 4.36Å; V238-L287 HydrophobicContact CG2-CB 4.23Å; V238-I291 HydrophobicContact CB-CD1 4.23Å; V238-I291 HydrophobicContact CG1-CD1 4.32Å; V238-I291 HydrophobicContact CG2-CD1 4.03Å; V238-I291 HydrophobicContact CG2-CG1 4.11Å
239F88.8Confident90.5Very high0 Ų032.9 Ų32.90%018%0.175CC..Hα-helixtrans-57.7-48.2178.2-178.7-83.9000112.4I106 L109 F194 P197 L198 C235 A236 G237 F243I106-F239 HydrophobicContact CB-CE2 4.13Å; I106-F239 HydrophobicContact CG1-CD2 4.29Å; I106-F239 HydrophobicContact CG1-CE2 3.78Å; I106-F239 HydrophobicContact CG2-CE2 3.77Å; L109-F239 HydrophobicContact CD1-CB 4.45Å; F194-F239 HydrophobicContact CD2-CE1 4.07Å; F194-F239 HydrophobicContact CD2-CE2 4.5Å; F194-F239 AromaticContact CD2-CZ 3.62Å; F194-F239 HydrophobicContact CD2-CZ 3.62Å; F194-F239 HydrophobicContact CE2-CD1 4.33Å; F194-F239 AromaticContact CE2-CE1 3.33Å; F194-F239 HydrophobicContact CE2-CE1 3.33Å; F194-F239 HydrophobicContact CE2-CE2 4.37Å; F194-F239 AromaticContact CE2-CZ 3.37Å; F194-F239 HydrophobicContact CE2-CZ 3.37Å; F194-F239 AromaticContact CZ-CE1 3.84Å; F194-F239 HydrophobicContact CZ-CE1 3.84Å; F194-F239 HydrophobicContact CZ-CZ 4.25Å; P197-F239 HydrophobicContact CB-CE2 4.11Å; P197-F239 HydrophobicContact CB-CZ 4.07Å; L198-F239 HydrophobicContact CB-CE1 3.72Å; L198-F239 HydrophobicContact CB-CZ 4.05Å; L198-F239 HydrophobicContact CD1-CD1 4.03Å; L198-F239 HydrophobicContact CD1-CE1 3.62Å; L198-F239 HydrophobicContact CG-CE1 4.22Å; C235-F239 WeakPolarHBondContact O-CB 3.19Å; C235-F239 PolarHBondContact O-N 2.92Å; A236-F239 PolarHBondContact O-N 3.04Å; G237-F239 VanDerWaalsContact C-N 3.34Å; G237-F239 PolarHBondContact O-N 2.75Å; F239-F243 AromaticContact CD2-CD2 3.92Å; F239-F243 HydrophobicContact CD2-CD2 3.92Å; F239-F243 HydrophobicContact CE2-CD2 4.42Å; F239-F243 HydrophobicContact CG-CD2 4.31Å; F239-F243 WeakPolarHBondContact O-CB 3.19Å; F239-F243 PolarHBondContact O-N 3.36Å
240L92.8Very high91Very high72 Ų7233.1 Ų33.138%0.37718%0.175SC..Hα-helixtrans-69.5-41.3-178.4-73172.6000112.4L198 A236 G237 V238 A244 P245L198-L240 HydrophobicContact CD1-CD2 3.55Å; A236-L240 WeakPolarHBondContact O-CB 3.36Å; A236-L240 VanDerWaalsContact O-CG 3.24Å; A236-L240 WeakPolarHBondContact O-CG 3.38Å; A236-L240 PolarHBondContact O-N 3.04Å; G237-L240 PolarHBondContact O-N 3.45Å; V238-L240 PolarHBondContact O-N 3.37Å; L240-A244 HydrophobicContact CD2-CB 4.38Å; L240-A244 WeakPolarHBondContact O-CB 3.41Å; L240-A244 PolarHBondContact O-N 3.48Å; L240-P245 VanDerWaalsContact O-CD 3.3Å; L240-P245 WeakPolarHBondContact O-CD 3.48Å
241I92.9Very high91.4Very high102 Ų10229.9 Ų29.952%0.52317%0.165SC..Hα-helixtrans-72.9-41.9-178-68.3167.6000110.8G237 V238 P245G237-I241 WeakPolarHBondContact O-CB 3.24Å; G237-I241 VanDerWaalsContact O-CG1 3.23Å; G237-I241 WeakPolarHBondContact O-CG1 3.49Å; G237-I241 PolarHBondContact O-N 3.42Å; V238-I241 PolarHBondContact O-N 2.82Å; I241-P245 WeakPolarHBondContact O-CD 3.26Å; I241-P245 WeakPolarHBondContact O-CG 3.32Å
242C94.3Very high91.9Very high1 Ų132.3 Ų32.31%0.00718%0.178CC..Hα-helixtrans-82.9-45.6-174.7-62.80000112.7V238 L280 A281 N284V238-C242 WeakPolarHBondContact O-CB 3.31Å; V238-C242 PolarHBondContact O-N 3.38Å; V238-C242 PolarHBondContact O-SG 2.81Å; C242-L280 CarbonylContact O-C 3.58Å; C242-A281 WeakPolarHBondContact O-CA 3.32Å; C242-A281 WeakPolarHBondContact O-CB 3.42Å; C242-A281 PolarHBondContact O-N 2.97Å; C242-A281 VanDerWaalsContact O-N 3.13Å; C242-N284 HydrophobicContact CB-CB 4Å
243F95.1Very high92.1Very high0 Ų032.7 Ų32.70%018%0.18CC..THydrogen-bonded Turntrans-102.6-35-166.9-55.7-58.6000113.8M102 I106 L109 F194 F239 Y246 H247 A281 N284M102-F243 HydrophobicContact CG-CD1 3.76Å; M102-F243 HydrophobicContact CG-CE1 3.81Å; I106-F243 HydrophobicContact CD1-CB 4.18Å; I106-F243 HydrophobicContact CD1-CD1 4.19Å; I106-F243 HydrophobicContact CD1-CD2 4.35Å; I106-F243 HydrophobicContact CD1-CG 3.98Å; I106-F243 HydrophobicContact CG1-CB 4.31Å; I106-F243 HydrophobicContact CG1-CD1 4.16Å; I106-F243 HydrophobicContact CG1-CD2 3.61Å; I106-F243 HydrophobicContact CG1-CE1 4.41Å; I106-F243 HydrophobicContact CG1-CE2 3.92Å; I106-F243 HydrophobicContact CG1-CG 3.76Å; I106-F243 HydrophobicContact CG1-CZ 4.3Å; L109-F243 HydrophobicContact CD1-CE2 3.82Å; F194-F243 HydrophobicContact CD2-CB 4.39Å; F194-F243 HydrophobicContact CE2-CB 3.94Å; F239-F243 AromaticContact CD2-CD2 3.92Å; F239-F243 HydrophobicContact CD2-CD2 3.92Å; F239-F243 HydrophobicContact CE2-CD2 4.42Å; F239-F243 HydrophobicContact CG-CD2 4.31Å; F239-F243 WeakPolarHBondContact O-CB 3.19Å; F239-F243 PolarHBondContact O-N 3.36Å; F243-Y246 PolarHBondContact O-N 3.4Å; F243-Y246 VanDerWaalsContact O-N 3.13Å; F243-H247 PolarHBondContact O-CD2 3.13Å; F243-H247 VanDerWaalsContact O-CD2 3.27Å; F243-H247 PolarHBondContact O-N 2.87Å; F243-A281 HydrophobicContact CD1-CB 4.29Å; F243-N284 HydrophobicContact CE1-CB 4.17Å; F243-N284 WeakPolarHBondContact CE2-OD1 3.49Å; F243-N284 HydrophobicContact CZ-CB 3.73Å; F243-N284 WeakPolarHBondContact CZ-OD1 3.49Å
244A95.2Very high92.2Very high24 Ų2429.8 Ų29.820%0.19816%0.163CC..Hα-helixtrans-60.5-41.7-176.800000114.4F194 L240 Y246 H247 F248F194-A244 HydrophobicContact CE2-CB 4.41Å; F194-A244 VanDerWaalsContact CZ-CA 3.41Å; F194-A244 HydrophobicContact CZ-CB 3.66Å; L240-A244 HydrophobicContact CD2-CB 4.38Å; L240-A244 WeakPolarHBondContact O-CB 3.41Å; L240-A244 PolarHBondContact O-N 3.48Å; A244-Y246 VanDerWaalsContact C-N 3.26Å; A244-Y246 PolarHBondContact O-N 2.98Å; A244-H247 PolarHBondContact O-N 3.5Å; A244-F248 VanDerWaalsContact O-CB 3.26Å; A244-F248 WeakPolarHBondContact O-CB 3.5Å; A244-F248 PolarHBondContact O-N 3.35Å
245P96.7Very high92.3Very high28 Ų2831.4 Ų31.418%0.18217%0.17CC..Hα-helixtrans-59.4-39.6175.9-25.335.6000112L240 I241 S249 F273 A277 L280L240-P245 VanDerWaalsContact O-CD 3.3Å; L240-P245 WeakPolarHBondContact O-CD 3.48Å; I241-P245 WeakPolarHBondContact O-CD 3.26Å; I241-P245 WeakPolarHBondContact O-CG 3.32Å; P245-S249 VanDerWaalsContact O-CB 3.32Å; P245-S249 WeakPolarHBondContact O-CB 3.44Å; P245-S249 PolarHBondContact O-N 3.33Å; P245-S249 PolarHBondContact O-OG 2.98Å; P245-F273 HydrophobicContact CB-CZ 4.18Å; P245-A277 HydrophobicContact CB-CB 3.82Å; P245-L280 HydrophobicContact CB-CD1 4.2Å; P245-L280 HydrophobicContact CG-CD1 4.06Å
246Y96Very high92.3Very high1 Ų131.6 Ų31.60%0.00417%0.172CC..Hα-helixtrans-66.3-53.5-178.6172.9-97000110.7Y99 M102 F243 A244 F248 S249 F250 H274 L278Y99-Y246 WeakPolarHBondContact CE1-OH 3.47Å; M102-Y246 HydrophobicContact CE-CD1 3.97Å; M102-Y246 HydrophobicContact CE-CE1 3.52Å; M102-Y246 HydrophobicContact SD-CD1 3.5Å; M102-Y246 VanDerWaalsContact SD-CD1 3.5Å; M102-Y246 HydrophobicContact SD-CE1 3.53Å; M102-Y246 VanDerWaalsContact SD-CE1 3.53Å; M102-Y246 HydrophobicContact SD-CG 4.24Å; F243-Y246 PolarHBondContact O-N 3.4Å; F243-Y246 VanDerWaalsContact O-N 3.13Å; A244-Y246 VanDerWaalsContact C-N 3.26Å; A244-Y246 PolarHBondContact O-N 2.98Å; Y246-F248 VanDerWaalsContact C-N 3.28Å; Y246-F248 PolarHBondContact O-N 3.47Å; Y246-S249 CarbonylContact O-C 3.59Å; Y246-S249 PolarHBondContact O-N 2.97Å; Y246-S249 PolarHBondContact O-OG 3.49Å; Y246-F250 HydrophobicContact CE1-CB 4.41Å; Y246-F250 WeakPolarHBondContact O-CB 3.3Å; Y246-F250 PolarHBondContact O-N 3.03Å; Y246-H274 AromaticContact CD2-CE1 3.95Å; Y246-H274 AromaticContact CE2-CE1 3.44Å; Y246-H274 VanDerWaalsContact CE2-CE1 3.44Å; Y246-H274 WeakPolarHBondContact CE2-CE1 3.49Å; Y246-L278 HydrophobicContact CD2-CB 4.32Å; Y246-L278 HydrophobicContact CD2-CD1 3.77Å; Y246-L278 HydrophobicContact CE2-CD1 3.5Å; Y246-L278 VanDerWaalsContact CE2-CD1 3.5Å
247H95.6Very high92Very high5 Ų535.4 Ų35.42%0.02319%0.187CC..Hα-helixtrans-66.1-30-178.9-74.8-69.8000113.1Y103 E190 F194 F243 A244 P251Y103-H247 AromaticContact CE1-CE1 3.9Å; E190-H247 VanDerWaalsContact CD-ND1 3.29Å; E190-H247 IonicContact OE1-CE1 3.74Å; E190-H247 IonicContact OE1-ND1 3.21Å; E190-H247 PolarHBondContact OE1-ND1 3.24Å; E190-H247 WeakPolarHBondContact OE2-CB 3.44Å; E190-H247 IonicContact OE2-CE1 3.99Å; E190-H247 IonicContact OE2-CG 3.42Å; E190-H247 IonicContact OE2-ND1 3.91Å; E190-H247 PolarHBondContact OE2-ND1 2.93Å; F194-H247 HydrophobicContact CB-CB 4.1Å; F194-H247 HydrophobicContact CD1-CB 3.42Å; F194-H247 VanDerWaalsContact CD1-CB 3.42Å; F194-H247 AromaticContact CD1-CG 3.82Å; F194-H247 HydrophobicContact CD2-CB 3.95Å; F194-H247 AromaticContact CD2-CD2 3.1Å; F194-H247 WeakPolarHBondContact CD2-CD2 3.38Å; F194-H247 AromaticContact CD2-CG 3.55Å; F194-H247 AromaticContact CD2-NE2 3.77Å; F194-H247 HydrophobicContact CE1-CB 3.79Å; F194-H247 HydrophobicContact CE2-CB 4.25Å; F194-H247 AromaticContact CE2-CD2 3.7Å; F194-H247 HydrophobicContact CG-CB 3.53Å; F194-H247 AromaticContact CG-CD2 3.42Å; F194-H247 VanDerWaalsContact CG-CD2 3.42Å; F194-H247 WeakPolarHBondContact CG-CD2 3.45Å; F194-H247 AromaticContact CG-CG 3.33Å; F194-H247 AromaticContact CG-ND1 3.94Å; F194-H247 HydrophobicContact CZ-CB 4.21Å; F243-H247 PolarHBondContact O-CD2 3.13Å; F243-H247 VanDerWaalsContact O-CD2 3.27Å; F243-H247 PolarHBondContact O-N 2.87Å; A244-H247 PolarHBondContact O-N 3.5Å; H247-P251 WeakPolarHBondContact O-CD 3.1Å
248F95.1Very high91.7Very high142 Ų14235.9 Ų35.962%0.62319%0.186SC*.Hα-helixtrans-67.7-42169.6179.3-104.9000112.2A244 Y246 L252 F273A244-F248 VanDerWaalsContact O-CB 3.26Å; A244-F248 WeakPolarHBondContact O-CB 3.5Å; A244-F248 PolarHBondContact O-N 3.35Å; Y246-F248 VanDerWaalsContact C-N 3.28Å; Y246-F248 PolarHBondContact O-N 3.47Å; F248-L252 HydrophobicContact CE1-CD1 4.12Å; F248-L252 HydrophobicContact CZ-CD1 4.38Å; F248-F273 AromaticContact CD1-CE1 3.8Å; F248-F273 HydrophobicContact CD1-CE1 3.8Å; F248-F273 HydrophobicContact CD1-CZ 4.28Å; F248-F273 HydrophobicContact CE1-CE1 4.38Å
249S94.9Very high91.5Very high0 Ų040.5 Ų40.50%021%0.21CC..Hα-helixtrans-74.9-25.7-179.472.80000114.2P245 Y246 L252 D253 H274P245-S249 VanDerWaalsContact O-CB 3.32Å; P245-S249 WeakPolarHBondContact O-CB 3.44Å; P245-S249 PolarHBondContact O-N 3.33Å; P245-S249 PolarHBondContact O-OG 2.98Å; Y246-S249 CarbonylContact O-C 3.59Å; Y246-S249 PolarHBondContact O-N 2.97Å; Y246-S249 PolarHBondContact O-OG 3.49Å; S249-L252 WeakPolarHBondContact O-CB 3.42Å; S249-L252 PolarHBondContact O-N 2.94Å; S249-D253 PolarHBondContact O-N 3.39Å; S249-H274 PolarHBondContact OG-ND1 3.3Å
250F92.8Very high91.4Very high39 Ų3945.4 Ų45.417%0.17123%0.233CC..Hα-helixtrans-64-47.2-169.9176.3-110.3000113.6M186 E190 Y246 L252 D253 F254M186-F250 HydrophobicContact CG-CD1 4.15Å; M186-F250 HydrophobicContact CG-CE1 3.73Å; M186-F250 HydrophobicContact SD-CD1 4.35Å; M186-F250 HydrophobicContact SD-CE1 4.21Å; E190-F250 HydrophobicContact CG-CD1 4.2Å; E190-F250 WeakPolarHBondContact OE1-CD1 3.43Å; Y246-F250 HydrophobicContact CE1-CB 4.41Å; Y246-F250 WeakPolarHBondContact O-CB 3.3Å; Y246-F250 PolarHBondContact O-N 3.03Å; F250-L252 VanDerWaalsContact C-N 3.27Å; F250-L252 PolarHBondContact O-N 2.92Å; F250-D253 PolarHBondContact O-N 3.13Å; F250-F254 WeakPolarHBondContact O-CB 3.45Å; F250-F254 PolarHBondContact O-N 3.29Å
251P92.3Very high91.1Very high38 Ų3843.9 Ų43.925%0.24723%0.225CC..Hα-helixtrans-60.6-35.2172.5-25.235.1000113.4M186 E190 H247 F254 L255M186-P251 HydrophobicContact CE-CB 3.78Å; M186-P251 HydrophobicContact CE-CG 4.37Å; M186-P251 HydrophobicContact SD-CB 4.2Å; M186-P251 HydrophobicContact SD-CG 4.48Å; E190-P251 HydrophobicContact CG-CG 4.47Å; H247-P251 WeakPolarHBondContact O-CD 3.1Å; P251-F254 PolarHBondContact O-N 2.87Å; P251-L255 WeakPolarHBondContact O-CG 3.19Å; P251-L255 PolarHBondContact O-N 3.3Å
252L92.3Very high90.8Very high55 Ų5546 Ų4629%0.28823%0.23SC..Hα-helixtrans-68.9-45.6178.9-59.7176.3000111F248 S249 F250 F254 L255 V256 I270F248-L252 HydrophobicContact CE1-CD1 4.12Å; F248-L252 HydrophobicContact CZ-CD1 4.38Å; S249-L252 WeakPolarHBondContact O-CB 3.42Å; S249-L252 PolarHBondContact O-N 2.94Å; F250-L252 VanDerWaalsContact C-N 3.27Å; F250-L252 PolarHBondContact O-N 2.92Å; L252-F254 VanDerWaalsContact C-N 3.3Å; L252-F254 PolarHBondContact O-N 3.06Å; L252-L255 PolarHBondContact O-N 3.32Å; L252-V256 WeakPolarHBondContact O-CG2 3.4Å; L252-V256 PolarHBondContact O-N 2.75Å; L252-I270 HydrophobicContact CB-CD1 4.18Å; L252-I270 HydrophobicContact CB-CG1 4.19Å; L252-I270 HydrophobicContact CB-CG2 3.69Å
253D89.7Confident90.5Very high8 Ų849 Ų494%0.04325%0.252CS..Hα-helixtrans-60.5-40.5174.6174.476.4000111.4S249 F250 V256 K257 I270 L271 H274S249-D253 PolarHBondContact O-N 3.39Å; F250-D253 PolarHBondContact O-N 3.13Å; D253-V256 PolarHBondContact O-N 2.88Å; D253-K257 VanDerWaalsContact CG-NZ 3.34Å; D253-K257 WeakPolarHBondContact O-CG 3.33Å; D253-K257 PolarHBondContact O-N 3.11Å; D253-K257 VanDerWaalsContact OD1-CE 3.31Å; D253-K257 WeakPolarHBondContact OD1-CE 3.34Å; D253-K257 IonicContact OD1-NZ 3.22Å; D253-K257 PolarHBondContact OD1-NZ 2.87Å; D253-K257 WeakPolarHBondContact OD2-CD 3.17Å; D253-K257 VanDerWaalsContact OD2-CE 3.28Å; D253-K257 WeakPolarHBondContact OD2-CE 3.49Å; D253-K257 IonicContact OD2-NZ 2.66Å; D253-K257 PolarHBondContact OD2-NZ 2.74Å; D253-I270 HydrophobicContact CB-CG2 4.44Å; D253-L271 WeakPolarHBondContact OD1-CD2 3.45Å; D253-H274 HydrophobicContact CB-CB 4.18Å; D253-H274 IonicContact OD1-CD2 2.68Å; D253-H274 IonicContact OD2-CD2 2.73Å; D253-H274 IonicContact OD2-NE2 3.91Å
254F88.1Confident90.1Very high39 Ų3952.1 Ų52.117%0.17127%0.272CS..Hα-helixtrans-58.2-49.5172.7175.8-95.3000111.9L179 S182 V183 M186 F250 P251 L252 V256 K257 S258L179-F254 HydrophobicContact CD1-CE1 3.87Å; L179-F254 HydrophobicContact CD1-CZ 3.86Å; S182-F254 VanDerWaalsContact CB-CZ 3.42Å; V183-F254 HydrophobicContact CG2-CE1 3.73Å; V183-F254 HydrophobicContact CG2-CZ 4.35Å; M186-F254 HydrophobicContact CE-CD1 3.87Å; M186-F254 HydrophobicContact CE-CG 4.32Å; M186-F254 HydrophobicContact SD-CB 3.6Å; M186-F254 VanDerWaalsContact SD-CB 3.6Å; M186-F254 HydrophobicContact SD-CD1 3.77Å; M186-F254 HydrophobicContact SD-CD2 4.27Å; M186-F254 HydrophobicContact SD-CG 3.59Å; M186-F254 VanDerWaalsContact SD-CG 3.59Å; F250-F254 WeakPolarHBondContact O-CB 3.45Å; F250-F254 PolarHBondContact O-N 3.29Å; P251-F254 PolarHBondContact O-N 2.87Å; L252-F254 VanDerWaalsContact C-N 3.3Å; L252-F254 PolarHBondContact O-N 3.06Å; F254-V256 VanDerWaalsContact C-N 3.3Å; F254-V256 PolarHBondContact O-N 3.36Å; F254-K257 PolarHBondContact O-N 3.12Å; F254-K257 VanDerWaalsContact O-N 3.13Å; F254-S258 WeakPolarHBondContact CZ-OG 3.48Å; F254-S258 WeakPolarHBondContact O-CB 3.36Å; F254-S258 PolarHBondContact O-N 2.87Å; F254-S258 PolarHBondContact O-OG 2.93Å
255L88.4Confident89.8Confident59 Ų5957.2 Ų57.231%0.30930%0.296SS..Hα-helixtrans-62.2-35.7177.7-70.1173000112.9P251 L252 N259 E260 I261P251-L255 WeakPolarHBondContact O-CG 3.19Å; P251-L255 PolarHBondContact O-N 3.3Å; L252-L255 PolarHBondContact O-N 3.32Å; L255-N259 PolarHBondContact O-N 3.07Å; L255-E260 HydrophobicContact CB-CB 4.39Å; L255-E260 HydrophobicContact CD2-CB 4.06Å; L255-E260 HydrophobicContact CD2-CG 4.19Å; L255-E260 PolarHBondContact O-N 3.18Å; L255-I261 HydrophobicContact CB-CD1 4.22Å; L255-I261 HydrophobicContact CB-CG1 3.98Å
256V87.6Confident89.5Confident6 Ų657.5 Ų57.54%0.03630%0.301CS..Hα-helixtrans-63.4-46.8173.2170.20000110.6L252 D253 F254 S258 N259 I261 R267 I270 L271L252-V256 WeakPolarHBondContact O-CG2 3.4Å; L252-V256 PolarHBondContact O-N 2.75Å; D253-V256 PolarHBondContact O-N 2.88Å; F254-V256 VanDerWaalsContact C-N 3.3Å; F254-V256 PolarHBondContact O-N 3.36Å; V256-S258 VanDerWaalsContact C-N 3.35Å; V256-S258 PolarHBondContact O-N 2.96Å; V256-N259 PolarHBondContact O-N 3.44Å; V256-I261 HydrophobicContact CG2-CB 4.06Å; V256-I261 HydrophobicContact CG2-CG1 3.87Å; V256-I261 HydrophobicContact CG2-CG2 4.48Å; V256-R267 HydrophobicContact CG1-CB 4.12Å; V256-R267 HydrophobicContact CG1-CG 3.88Å; V256-R267 HydrophobicContact CG2-CB 4.48Å; V256-R267 HydrophobicContact CG2-CG 4.15Å; V256-R267 PolarHBondContact O-NH1 3.26Å; V256-I270 HydrophobicContact CG2-CB 4.02Å; V256-I270 HydrophobicContact CG2-CD1 3.74Å; V256-I270 HydrophobicContact CG2-CG1 4.5Å; V256-I270 HydrophobicContact CG2-CG2 3.78Å; V256-L271 HydrophobicContact CG1-CD1 4.37Å; V256-L271 HydrophobicContact CG1-CD2 4.18Å; V256-L271 HydrophobicContact CG1-CG 4.21Å
257K83.4Confident89.2Confident85 Ų8559.7 Ų59.737%0.3731%0.309SS..Hα-helixtrans-69-29.5179.9-73.8172.3179.2161.10113.4D253 F254 N259D253-K257 VanDerWaalsContact CG-NZ 3.34Å; D253-K257 WeakPolarHBondContact O-CG 3.33Å; D253-K257 PolarHBondContact O-N 3.11Å; D253-K257 VanDerWaalsContact OD1-CE 3.31Å; D253-K257 WeakPolarHBondContact OD1-CE 3.34Å; D253-K257 IonicContact OD1-NZ 3.22Å; D253-K257 PolarHBondContact OD1-NZ 2.87Å; D253-K257 WeakPolarHBondContact OD2-CD 3.17Å; D253-K257 VanDerWaalsContact OD2-CE 3.28Å; D253-K257 WeakPolarHBondContact OD2-CE 3.49Å; D253-K257 IonicContact OD2-NZ 2.66Å; D253-K257 PolarHBondContact OD2-NZ 2.74Å; F254-K257 PolarHBondContact O-N 3.12Å; F254-K257 VanDerWaalsContact O-N 3.13Å; K257-N259 PolarHBondContact O-N 2.65Å
258S83.9Confident88.8Confident37 Ų3764 Ų6426%0.25933%0.325SS..THydrogen-bonded Turntrans-79.93.3173.3-64.40000114.1F254 V256 E260F254-S258 WeakPolarHBondContact CZ-OG 3.48Å; F254-S258 WeakPolarHBondContact O-CB 3.36Å; F254-S258 PolarHBondContact O-N 2.87Å; F254-S258 PolarHBondContact O-OG 2.93Å; V256-S258 VanDerWaalsContact C-N 3.35Å; V256-S258 PolarHBondContact O-N 2.96Å; S258-E260 VanDerWaalsContact C-N 3.26Å; S258-E260 PolarHBondContact O-N 2.82Å
259N84.6Confident88.6Confident110 Ų11061.3 Ų61.359%0.58832%0.32SS*.THydrogen-bonded Turntrans63.720.2-177.7-68.8-50.3000116.6L255 V256 K257 R267L255-N259 PolarHBondContact O-N 3.07Å; V256-N259 PolarHBondContact O-N 3.44Å; K257-N259 PolarHBondContact O-N 2.65Å; N259-R267 VanDerWaalsContact CA-NH2 3.31Å; N259-R267 PolarHBondContact OD1-NH1 3.38Å; N259-R267 PolarHBondContact OD1-NH2 3.42Å
260E87.4Confident88.5Confident103 Ų10362.3 Ų62.348%0.48133%0.325SS..  trans-79.5-28.9179-64.3-58.2144.800112.4L179 L255 S258L179-E260 HydrophobicContact CD2-CG 4.37Å; L179-E260 WeakPolarHBondContact CD2-OE1 3.41Å; L255-E260 HydrophobicContact CB-CB 4.39Å; L255-E260 HydrophobicContact CD2-CB 4.06Å; L255-E260 HydrophobicContact CD2-CG 4.19Å; L255-E260 PolarHBondContact O-N 3.18Å; S258-E260 VanDerWaalsContact C-N 3.26Å; S258-E260 PolarHBondContact O-N 2.82Å
261I86.7Confident88.4Confident40 Ų4062.3 Ų62.321%0.20533%0.327CS..  trans-84.9118.7175.1-55.4-57.8000109.9L255 V256 A266 R267 I270L255-I261 HydrophobicContact CB-CD1 4.22Å; L255-I261 HydrophobicContact CB-CG1 3.98Å; V256-I261 HydrophobicContact CG2-CB 4.06Å; V256-I261 HydrophobicContact CG2-CG1 3.87Å; V256-I261 HydrophobicContact CG2-CG2 4.48Å; I261-A266 HydrophobicContact CG2-CB 3.95Å; I261-R267 HydrophobicContact CB-CG 4.24Å; I261-R267 HydrophobicContact CG2-CG 3.92Å; I261-R267 VanDerWaalsContact O-CZ 3.24Å; I261-R267 PolarHBondContact O-NE 2.84Å; I261-R267 PolarHBondContact O-NH2 3.01Å; I261-I270 HydrophobicContact CG1-CD1 4.49Å
262K86.4Confident88.3Confident146 Ų14663 Ų6364%0.63533%0.328SS*.  trans-92-27.5-178.7-61.3-178.8-176.2174.80114.3C264K262-C264 PolarHBondContact O-N 3.15Å
263S89Confident88.4Confident65 Ų6564.2 Ų64.246%0.45533%0.331SS..  trans-73.6120.2-178.51720000111.3L265 A266 R267S263-L265 VanDerWaalsContact C-N 3.35Å; S263-L265 PolarHBondContact O-N 3.48Å; S263-A266 PolarHBondContact O-N 3.45Å; S263-A266 PolarHBondContact OG-N 2.03Å; S263-R267 WeakPolarHBondContact O-CG 3.24Å; S263-R267 PolarHBondContact O-N 3.07Å
264C86.4Confident88.6Confident64 Ų6464.3 Ų64.343%0.43233%0.331SS..Hα-helixtrans-65-36.6179.9-60.50000112.7C7 K262 R267 R268C7-C264 VanDerWaalsContact CA-SG 3.53Å; C7-C264 HydrophobicContact CB-CB 3.84Å; C7-C264 WeakPolarHBondContact CB-SG 3.43Å; C7-C264 WeakPolarHBondContact SG-CA 3.17Å; C7-C264 WeakPolarHBondContact SG-CB 3.31Å; C7-C264 CovalentContact SG-SG 2.05Å; C7-C264 PolarHBondContact SG-SG 3.07Å; K262-C264 PolarHBondContact O-N 3.15Å; C264-R267 PolarHBondContact O-N 3.43Å; C264-R268 PolarHBondContact O-N 3.37Å
265L88.1Confident88.9Confident131 Ų13162.6 Ų62.669%0.68632%0.324SS*.Hα-helixtrans-61.5-47.1174.1-178.569.6000110.7S263 R267 R268 V269S263-L265 VanDerWaalsContact C-N 3.35Å; S263-L265 PolarHBondContact O-N 3.48Å; L265-R267 PolarHBondContact O-N 3.13Å; L265-R268 PolarHBondContact O-N 3.2Å; L265-V269 WeakPolarHBondContact O-CG2 3.33Å; L265-V269 PolarHBondContact O-N 3.48Å
266A89.9Confident89.2Confident35 Ų3562.1 Ų62.129%0.28932%0.323SS..Hα-helixtrans-61.8-45178.900000111.5I261 S263 R268 V269 I270I261-A266 HydrophobicContact CG2-CB 3.95Å; S263-A266 PolarHBondContact O-N 3.45Å; S263-A266 PolarHBondContact OG-N 2.03Å; A266-R268 PolarHBondContact O-N 3.46Å; A266-V269 PolarHBondContact O-N 3.22Å; A266-I270 WeakPolarHBondContact O-CB 3.29Å; A266-I270 WeakPolarHBondContact O-CD1 3.08Å; A266-I270 WeakPolarHBondContact O-CG1 3.03Å; A266-I270 PolarHBondContact O-N 3.38Å
267R90.2Very high89.6Confident46 Ų4661.9 Ų61.917%0.17432%0.322CS..Hα-helixtrans-55-50.3174.2-72.2-170.2172.3-135.93.6111.8V256 N259 I261 S263 C264 L265 V269 I270 L271V256-R267 HydrophobicContact CG1-CB 4.12Å; V256-R267 HydrophobicContact CG1-CG 3.88Å; V256-R267 HydrophobicContact CG2-CB 4.48Å; V256-R267 HydrophobicContact CG2-CG 4.15Å; V256-R267 PolarHBondContact O-NH1 3.26Å; N259-R267 VanDerWaalsContact CA-NH2 3.31Å; N259-R267 PolarHBondContact OD1-NH1 3.38Å; N259-R267 PolarHBondContact OD1-NH2 3.42Å; I261-R267 HydrophobicContact CB-CG 4.24Å; I261-R267 HydrophobicContact CG2-CG 3.92Å; I261-R267 VanDerWaalsContact O-CZ 3.24Å; I261-R267 PolarHBondContact O-NE 2.84Å; I261-R267 PolarHBondContact O-NH2 3.01Å; S263-R267 WeakPolarHBondContact O-CG 3.24Å; S263-R267 PolarHBondContact O-N 3.07Å; C264-R267 PolarHBondContact O-N 3.43Å; L265-R267 PolarHBondContact O-N 3.13Å; R267-V269 PolarHBondContact O-N 3.05Å; R267-I270 PolarHBondContact O-N 2.87Å; R267-L271 VanDerWaalsContact O-CG 3.26Å; R267-L271 WeakPolarHBondContact O-CG 3.47Å; R267-L271 PolarHBondContact O-N 2.87Å
268R88.3Confident90.2Very high96 Ų9658.7 Ų58.736%0.36231%0.309SS..Hα-helixtrans-58.6-49.3-179.5-175173.3-164.7-178.73.9111.5D13 N14 C264 L265 A266 I270 L271 I272D13-R268 IonicContact OD2-CZ 3.41Å; D13-R268 IonicContact OD2-NH2 3.62Å; D13-R268 PolarHBondContact OD2-NH2 2.92Å; N14-R268 PolarHBondContact OD1-NE 2.98Å; N14-R268 PolarHBondContact OD1-NH2 3.32Å; C264-R268 PolarHBondContact O-N 3.37Å; L265-R268 PolarHBondContact O-N 3.2Å; A266-R268 PolarHBondContact O-N 3.46Å; R268-I270 PolarHBondContact O-N 3.46Å; R268-L271 PolarHBondContact O-N 3.46Å; R268-I272 HydrophobicContact CG-CD1 3.9Å; R268-I272 WeakPolarHBondContact O-CG1 3.26Å; R268-I272 PolarHBondContact O-N 3.44Å
269V90.9Very high90.7Very high85 Ų8557.1 Ų57.152%0.51530%0.298SS..Hα-helixtrans-60.8-45.5179.4171.80000111.1L265 A266 R267 L271 I272 F273L265-V269 WeakPolarHBondContact O-CG2 3.33Å; L265-V269 PolarHBondContact O-N 3.48Å; A266-V269 PolarHBondContact O-N 3.22Å; R267-V269 PolarHBondContact O-N 3.05Å; V269-L271 PolarHBondContact O-N 2.87Å; V269-I272 PolarHBondContact O-N 2.87Å; V269-F273 WeakPolarHBondContact O-CB 3.4Å; V269-F273 PolarHBondContact O-N 2.95Å
270I92.5Very high91.3Very high21 Ų2154.5 Ų54.511%0.10828%0.283CS..Hα-helixtrans-62-45.5179.5-69.9163.6000111L252 D253 V256 I261 A266 R267 R268 F273 H274L252-I270 HydrophobicContact CB-CD1 4.18Å; L252-I270 HydrophobicContact CB-CG1 4.19Å; L252-I270 HydrophobicContact CB-CG2 3.69Å; D253-I270 HydrophobicContact CB-CG2 4.44Å; V256-I270 HydrophobicContact CG2-CB 4.02Å; V256-I270 HydrophobicContact CG2-CD1 3.74Å; V256-I270 HydrophobicContact CG2-CG1 4.5Å; V256-I270 HydrophobicContact CG2-CG2 3.78Å; I261-I270 HydrophobicContact CG1-CD1 4.49Å; A266-I270 WeakPolarHBondContact O-CB 3.29Å; A266-I270 WeakPolarHBondContact O-CD1 3.08Å; A266-I270 WeakPolarHBondContact O-CG1 3.03Å; A266-I270 PolarHBondContact O-N 3.38Å; R267-I270 PolarHBondContact O-N 2.87Å; R268-I270 PolarHBondContact O-N 3.46Å; I270-F273 PolarHBondContact O-N 3.29Å; I270-H274 VanDerWaalsContact O-CB 3.24Å; I270-H274 WeakPolarHBondContact O-CB 3.26Å; I270-H274 PolarHBondContact O-N 3.43Å
271L89.9Confident91.7Very high39 Ų3949.6 Ų49.620%0.20426%0.26CS..Hα-helixtrans-65.3-41.7-179.4-69.3171000112.4D253 V256 R267 R268 V269 S275D253-L271 WeakPolarHBondContact OD1-CD2 3.45Å; V256-L271 HydrophobicContact CG1-CD1 4.37Å; V256-L271 HydrophobicContact CG1-CD2 4.18Å; V256-L271 HydrophobicContact CG1-CG 4.21Å; R267-L271 VanDerWaalsContact O-CG 3.26Å; R267-L271 WeakPolarHBondContact O-CG 3.47Å; R267-L271 PolarHBondContact O-N 2.87Å; R268-L271 PolarHBondContact O-N 3.46Å; V269-L271 PolarHBondContact O-N 2.87Å; L271-S275 WeakPolarHBondContact O-CB 3.04Å; L271-S275 PolarHBondContact O-N 3.37Å; L271-S275 VanDerWaalsContact O-N 3.13Å; L271-S275 PolarHBondContact O-OG 3.33Å
272I91.3Very high92.1Very high54 Ų5447.7 Ų47.728%0.27725%0.251SS..Hα-helixtrans-63.9-50.9175-70.2171.3000109.7F17 R268 V269 H274 S275 V276F17-I272 HydrophobicContact CD1-CG1 4.41Å; F17-I272 HydrophobicContact CE1-CG1 4.41Å; F17-I272 HydrophobicContact CE1-CG2 3.92Å; F17-I272 HydrophobicContact CZ-CG2 4.43Å; R268-I272 HydrophobicContact CG-CD1 3.9Å; R268-I272 WeakPolarHBondContact O-CG1 3.26Å; R268-I272 PolarHBondContact O-N 3.44Å; V269-I272 PolarHBondContact O-N 2.87Å; I272-H274 PolarHBondContact O-N 3.36Å; I272-S275 PolarHBondContact O-N 3.5Å; I272-S275 VanDerWaalsContact O-N 3.13Å; I272-V276 WeakPolarHBondContact O-CG2 3.43Å; I272-V276 PolarHBondContact O-N 3.32Å
273F94.4Very high92.5Very high79 Ų7943.3 Ų43.335%0.34623%0.234SC..Hα-helixtrans-60.6-43.5-179-179.6-106.7000111.9P245 F248 V269 I270 S275 V276 A277P245-F273 HydrophobicContact CB-CZ 4.18Å; F248-F273 AromaticContact CD1-CE1 3.8Å; F248-F273 HydrophobicContact CD1-CE1 3.8Å; F248-F273 HydrophobicContact CD1-CZ 4.28Å; F248-F273 HydrophobicContact CE1-CE1 4.38Å; V269-F273 WeakPolarHBondContact O-CB 3.4Å; V269-F273 PolarHBondContact O-N 2.95Å; I270-F273 PolarHBondContact O-N 3.29Å; F273-S275 VanDerWaalsContact C-N 3.29Å; F273-S275 PolarHBondContact O-N 3.43Å; F273-V276 PolarHBondContact O-N 3.3Å; F273-A277 WeakPolarHBondContact O-CB 3.12Å; F273-A277 PolarHBondContact O-N 2.81Å
274H93.8Very high92.7Very high11 Ų1140.2 Ų40.25%0.05121%0.213CC..Hα-helixtrans-59.9-39.8175.6-17669.1000112.2Y246 S249 D253 I270 I272 A277 L278Y246-H274 AromaticContact CD2-CE1 3.95Å; Y246-H274 AromaticContact CE2-CE1 3.44Å; Y246-H274 VanDerWaalsContact CE2-CE1 3.44Å; Y246-H274 WeakPolarHBondContact CE2-CE1 3.49Å; S249-H274 PolarHBondContact OG-ND1 3.3Å; D253-H274 HydrophobicContact CB-CB 4.18Å; D253-H274 IonicContact OD1-CD2 2.68Å; D253-H274 IonicContact OD2-CD2 2.73Å; D253-H274 IonicContact OD2-NE2 3.91Å; I270-H274 VanDerWaalsContact O-CB 3.24Å; I270-H274 WeakPolarHBondContact O-CB 3.26Å; I270-H274 PolarHBondContact O-N 3.43Å; I272-H274 PolarHBondContact O-N 3.36Å; H274-A277 PolarHBondContact O-N 3.43Å; H274-L278 WeakPolarHBondContact O-CB 3.33Å; H274-L278 PolarHBondContact O-N 2.99Å
275S93.4Very high93Very high2 Ų237.2 Ų37.21%0.01419%0.192CC..Hα-helixtrans-69.4-42.4180-55.30000112.1R18 Y22 L271 I272 F273 A277 L278 C279R18-S275 WeakPolarHBondContact CD-OG 3.37Å; R18-S275 VanDerWaalsContact CG-OG 3.3Å; R18-S275 WeakPolarHBondContact CG-OG 3.47Å; Y22-S275 WeakPolarHBondContact OH-CA 3.17Å; Y22-S275 WeakPolarHBondContact OH-CB 3.26Å; Y22-S275 PolarHBondContact OH-OG 2.97Å; L271-S275 WeakPolarHBondContact O-CB 3.04Å; L271-S275 PolarHBondContact O-N 3.37Å; L271-S275 VanDerWaalsContact O-N 3.13Å; L271-S275 PolarHBondContact O-OG 3.33Å; I272-S275 PolarHBondContact O-N 3.5Å; I272-S275 VanDerWaalsContact O-N 3.13Å; F273-S275 VanDerWaalsContact C-N 3.29Å; F273-S275 PolarHBondContact O-N 3.43Å; S275-A277 VanDerWaalsContact C-N 3.32Å; S275-L278 PolarHBondContact O-N 3.44Å; S275-C279 PolarHBondContact O-N 3.37Å; S275-C279 VanDerWaalsContact O-N 3.11Å; S275-C279 PolarHBondContact O-SG 3.41Å
276V95.1Very high93.1Very high49 Ų4932.4 Ų32.430%0.29717%0.169SC..Hα-helixtrans-62.2-41.9171.5174.40000110.7I21 I272 F273 L278 C279 L280I21-V276 HydrophobicContact CD1-CG2 3.76Å; I272-V276 WeakPolarHBondContact O-CG2 3.43Å; I272-V276 PolarHBondContact O-N 3.32Å; F273-V276 PolarHBondContact O-N 3.3Å; V276-L278 PolarHBondContact O-N 2.94Å; V276-C279 VanDerWaalsContact O-CB 3.25Å; V276-C279 WeakPolarHBondContact O-CB 3.2Å; V276-C279 PolarHBondContact O-N 2.99Å; V276-L280 HydrophobicContact CG1-CD1 4.38Å; V276-L280 WeakPolarHBondContact O-CG 3.39Å; V276-L280 PolarHBondContact O-N 3.25Å
277A96.5Very high93Very high1 Ų133.8 Ų33.81%0.00817%0.171CC..Hα-helixtrans-65.3-37.6179.200000112.7P245 F273 H274 S275 C279 L280 A281P245-A277 HydrophobicContact CB-CB 3.82Å; F273-A277 WeakPolarHBondContact O-CB 3.12Å; F273-A277 PolarHBondContact O-N 2.81Å; H274-A277 PolarHBondContact O-N 3.43Å; S275-A277 VanDerWaalsContact C-N 3.32Å; A277-C279 VanDerWaalsContact C-N 3.32Å; A277-L280 PolarHBondContact O-N 3.49Å; A277-A281 PolarHBondContact O-N 3.34Å
278L94.8Very high92.7Very high18 Ų1831.6 Ų31.69%0.09416%0.163CC..Hα-helixtrans-66.7-35173.4-168.772.5000112.1Y22 Y246 H274 S275 V276 A281 S282Y22-L278 HydrophobicContact CE1-CB 4.25Å; Y22-L278 HydrophobicContact CE1-CD2 3.87Å; Y22-L278 HydrophobicContact CE1-CG 4.45Å; Y246-L278 HydrophobicContact CD2-CB 4.32Å; Y246-L278 HydrophobicContact CD2-CD1 3.77Å; Y246-L278 HydrophobicContact CE2-CD1 3.5Å; Y246-L278 VanDerWaalsContact CE2-CD1 3.5Å; H274-L278 WeakPolarHBondContact O-CB 3.33Å; H274-L278 PolarHBondContact O-N 2.99Å; S275-L278 PolarHBondContact O-N 3.44Å; V276-L278 PolarHBondContact O-N 2.94Å; L278-A281 PolarHBondContact O-N 3.34Å; L278-S282 PolarHBondContact O-N 3.18Å; L278-S282 VanDerWaalsContact O-N 3.14Å; L278-S282 PolarHBondContact O-OG 2.66Å
279C95.9Very high92.3Very high5 Ų528.1 Ų28.13%0.03415%0.153CC..Hα-helixtrans-61.6-49170.8-69.80000111Y22 T25 S275 V276 A277 A281 S282 L283Y22-C279 WeakPolarHBondContact CD1-SG 3.18Å; T25-C279 HydrophobicContact CG2-CB 3.8Å; S275-C279 PolarHBondContact O-N 3.37Å; S275-C279 VanDerWaalsContact O-N 3.11Å; S275-C279 PolarHBondContact O-SG 3.41Å; V276-C279 VanDerWaalsContact O-CB 3.25Å; V276-C279 WeakPolarHBondContact O-CB 3.2Å; V276-C279 PolarHBondContact O-N 2.99Å; A277-C279 VanDerWaalsContact C-N 3.32Å; C279-A281 PolarHBondContact O-N 3.48Å; C279-S282 WeakPolarHBondContact O-CA 3.16Å; C279-S282 WeakPolarHBondContact O-CB 3.38Å; C279-S282 PolarHBondContact O-N 3.44Å; C279-L283 PolarHBondContact O-N 2.93Å; C279-L283 VanDerWaalsContact O-N 3.1Å
280L95.9Very high91.6Very high54 Ų5427.2 Ų27.228%0.28315%0.147SC..Hα-helixtrans-57.7-44.2174.7-71.6171.1000112.3C242 P245 V276 A277 S282 L283C242-L280 CarbonylContact O-C 3.58Å; P245-L280 HydrophobicContact CB-CD1 4.2Å; P245-L280 HydrophobicContact CG-CD1 4.06Å; V276-L280 HydrophobicContact CG1-CD1 4.38Å; V276-L280 WeakPolarHBondContact O-CG 3.39Å; V276-L280 PolarHBondContact O-N 3.25Å; A277-L280 PolarHBondContact O-N 3.49Å; L280-S282 PolarHBondContact O-N 3.28Å; L280-L283 HydrophobicContact CD2-CD1 4.15Å; L280-L283 WeakPolarHBondContact O-CB 3.26Å; L280-L283 PolarHBondContact O-N 2.78Å
281A95.8Very high90.7Very high0 Ų026.2 Ų26.20%014%0.142CC..Hα-helixtrans-61.7-27.3175.600000112.9C242 F243 A277 L278 C279C242-A281 WeakPolarHBondContact O-CA 3.32Å; C242-A281 WeakPolarHBondContact O-CB 3.42Å; C242-A281 PolarHBondContact O-N 2.97Å; C242-A281 VanDerWaalsContact O-N 3.13Å; F243-A281 HydrophobicContact CD1-CB 4.29Å; A277-A281 PolarHBondContact O-N 3.34Å; L278-A281 PolarHBondContact O-N 3.34Å; C279-A281 PolarHBondContact O-N 3.48Å
282S95.2Very high90.1Very high1 Ų124.3 Ų24.31%0.00713%0.132CC..Hα-helixtrans-78.9-29.3175.8-50.30000112.6Y26 K98 L278 C279 L280 N284 S285Y26-S282 WeakPolarHBondContact CE1-OG 3.19Å; K98-S282 PolarHBondContact NZ-OG 2.95Å; L278-S282 PolarHBondContact O-N 3.18Å; L278-S282 VanDerWaalsContact O-N 3.14Å; L278-S282 PolarHBondContact O-OG 2.66Å; C279-S282 WeakPolarHBondContact O-CA 3.16Å; C279-S282 WeakPolarHBondContact O-CB 3.38Å; C279-S282 PolarHBondContact O-N 3.44Å; L280-S282 PolarHBondContact O-N 3.28Å; S282-N284 PolarHBondContact O-N 3.08Å; S282-S285 PolarHBondContact O-N 2.88Å
283L94.1Very high89.2Confident54 Ų5426.1 Ų26.128%0.28314%0.136SC..Hα-helixtrans-65.4-16.2178-76.7165.7000112.7I29 C279 L280 S285 C286 L287I29-L283 HydrophobicContact CD1-CD2 3.93Å; I29-L283 HydrophobicContact CD1-CG 4.01Å; I29-L283 HydrophobicContact CG1-CD2 3.62Å; I29-L283 HydrophobicContact CG1-CG 4.28Å; C279-L283 PolarHBondContact O-N 2.93Å; C279-L283 VanDerWaalsContact O-N 3.1Å; L280-L283 HydrophobicContact CD2-CD1 4.15Å; L280-L283 WeakPolarHBondContact O-CB 3.26Å; L280-L283 PolarHBondContact O-N 2.78Å; L283-S285 PolarHBondContact O-N 2.95Å; L283-C286 PolarHBondContact O-N 2.99Å; L283-L287 PolarHBondContact O-N 2.91Å
284N93.4Very high88Confident0 Ų024.8 Ų24.80%013%0.13CC..Hα-helixtrans-46.4-46.2172.4-177.279.7000112.3S105 V238 C242 F243 S282 C286 L287 D288S105-N284 WeakPolarHBondContact CB-ND2 3.44Å; S105-N284 PolarHBondContact OG-ND2 3.34Å; V238-N284 WeakPolarHBondContact CG1-OD1 3.36Å; C242-N284 HydrophobicContact CB-CB 4Å; F243-N284 HydrophobicContact CE1-CB 4.17Å; F243-N284 WeakPolarHBondContact CE2-OD1 3.49Å; F243-N284 HydrophobicContact CZ-CB 3.73Å; F243-N284 WeakPolarHBondContact CZ-OD1 3.49Å; S282-N284 PolarHBondContact O-N 3.08Å; N284-C286 PolarHBondContact O-N 2.79Å; N284-L287 PolarHBondContact O-N 2.83Å; N284-D288 PolarHBondContact ND2-OD2 2.73Å; N284-D288 PolarHBondContact O-N 3.22Å; N284-D288 PolarHBondContact OD1-OD1 2.98Å
285S92.6Very high86.6Confident0 Ų024.4 Ų24.40%013%0.129CC..Hα-helixtrans-62.2-17.2-178.6-55.50000114.4N37 D65 S282 L283N37-S285 PolarHBondContact ND2-O 2.95Å; D65-S285 WeakPolarHBondContact OD1-CA 3.28Å; D65-S285 WeakPolarHBondContact OD1-CB 3.31Å; D65-S285 PolarHBondContact OD1-OG 3.35Å; S282-S285 PolarHBondContact O-N 2.88Å; L283-S285 PolarHBondContact O-N 2.95Å
286C91.1Very high85.3Confident30 Ų3024.5 Ų24.520%0.20313%0.13CC..Hα-helixtrans-97-22173.1-63.60000113.3L283 N284 P289L283-C286 PolarHBondContact O-N 2.99Å; N284-C286 PolarHBondContact O-N 2.79Å; C286-P289 WeakPolarHBondContact O-CD 3.39Å
287L87.8Confident83.9Confident64 Ų6425.8 Ų25.834%0.33514%0.135SC..Hα-helixtrans-90.5-23.3-177.6-63.2-178.7000112.6V238 L283 N284 V290V238-L287 HydrophobicContact CG1-CB 4.36Å; V238-L287 HydrophobicContact CG2-CB 4.23Å; L283-L287 PolarHBondContact O-N 2.91Å; N284-L287 PolarHBondContact O-N 2.83Å; L287-V290 WeakPolarHBondContact O-CB 3.23Å; L287-V290 WeakPolarHBondContact O-CG2 3.46Å; L287-V290 PolarHBondContact O-N 2.75Å
288D84.3Confident82.4Confident0 Ų026.5 Ų26.50%014%0.138CC..Hα-helixtrans-60.3-33.8178.1-73.8-19.3000114.7L61 N284 V290 I291 Y292L61-D288 WeakPolarHBondContact CD1-OD2 3.45Å; L61-D288 HydrophobicContact CD2-CB 4.19Å; L61-D288 HydrophobicContact CG-CB 4.48Å; L61-D288 WeakPolarHBondContact CG-OD2 3.16Å; N284-D288 PolarHBondContact ND2-OD2 2.73Å; N284-D288 PolarHBondContact O-N 3.22Å; N284-D288 PolarHBondContact OD1-OD1 2.98Å; D288-V290 PolarHBondContact O-N 2.92Å; D288-V290 VanDerWaalsContact O-N 3.13Å; D288-I291 WeakPolarHBondContact O-CA 3.5Å; D288-I291 VanDerWaalsContact O-CB 3.22Å; D288-I291 WeakPolarHBondContact O-CB 3.49Å; D288-I291 PolarHBondContact O-N 3.32Å; D288-I291 VanDerWaalsContact OD1-CD1 3.24Å; D288-I291 WeakPolarHBondContact OD1-CD1 3.33Å; D288-Y292 HydrophobicContact CB-CE1 4.43Å; D288-Y292 WeakPolarHBondContact O-CD1 3.09Å; D288-Y292 PolarHBondContact O-N 2.97Å; D288-Y292 VanDerWaalsContact O-N 3.13Å
289P78.7Confident80.9Confident24 Ų2426 Ų2616%0.15614%0.135CC..Hα-helixtrans-53.7-28.7167.5-30.337.2000115.4C286 I291 Y292 Y293C286-P289 WeakPolarHBondContact O-CD 3.39Å; P289-I291 VanDerWaalsContact C-N 3.35Å; P289-Y292 VanDerWaalsContact CA-CD2 3.49Å; P289-Y292 HydrophobicContact CB-CD2 4.36Å; P289-Y292 HydrophobicContact CG-CE2 4.45Å; P289-Y292 WeakPolarHBondContact O-CB 3.46Å; P289-Y292 PolarHBondContact O-N 3.21Å; P289-Y293 PolarHBondContact O-N 2.84Å; P289-Y293 VanDerWaalsContact O-N 3.09Å
290V76.1Confident79.5Confident65 Ų6531.4 Ų31.439%0.39416%0.155SC..Hα-helixtrans-67.8-38.2173.9-177.60000110.7T234 L287 D288 Y292 Y293 F294T234-V290 HydrophobicContact CG2-CG1 4.23Å; L287-V290 WeakPolarHBondContact O-CB 3.23Å; L287-V290 WeakPolarHBondContact O-CG2 3.46Å; L287-V290 PolarHBondContact O-N 2.75Å; D288-V290 PolarHBondContact O-N 2.92Å; D288-V290 VanDerWaalsContact O-N 3.13Å; V290-Y292 VanDerWaalsContact C-N 3.31Å; V290-Y292 PolarHBondContact O-N 3.31Å; V290-Y293 PolarHBondContact O-N 3.33Å; V290-F294 HydrophobicContact CG1-CD2 3.94Å; V290-F294 HydrophobicContact CG1-CE2 3.52Å; V290-F294 VanDerWaalsContact O-CD2 3.25Å; V290-F294 WeakPolarHBondContact O-CD2 3.4Å; V290-F294 PolarHBondContact O-N 3.45Å
291I74.6Confident78.1Confident0 Ų033.7 Ų33.70%016%0.16CC..Hα-helixtrans-61.9-42.9174.3-54.7177.7000109.6L109 T234 V238 D288 P289 Y293 F294 S295L109-I291 HydrophobicContact CD2-CD1 3.34Å; T234-I291 HydrophobicContact CG2-CG1 3.88Å; V238-I291 HydrophobicContact CB-CD1 4.23Å; V238-I291 HydrophobicContact CG1-CD1 4.32Å; V238-I291 HydrophobicContact CG2-CD1 4.03Å; V238-I291 HydrophobicContact CG2-CG1 4.11Å; D288-I291 WeakPolarHBondContact O-CA 3.5Å; D288-I291 VanDerWaalsContact O-CB 3.22Å; D288-I291 WeakPolarHBondContact O-CB 3.49Å; D288-I291 PolarHBondContact O-N 3.32Å; D288-I291 VanDerWaalsContact OD1-CD1 3.24Å; D288-I291 WeakPolarHBondContact OD1-CD1 3.33Å; P289-I291 VanDerWaalsContact C-N 3.35Å; I291-Y293 VanDerWaalsContact C-N 3.33Å; I291-Y293 PolarHBondContact O-N 3.17Å; I291-F294 PolarHBondContact O-N 3.31Å; I291-S295 WeakPolarHBondContact O-CB 3.41Å; I291-S295 PolarHBondContact O-N 3.35Å
292Y76.3Confident76.7Confident0 Ų036.8 Ų36.80%017%0.171CC..Hα-helixtrans-62.9-40.1179.7-52.7-22.8000112.2A40 F44 M58 L61 A62 D288 P289 V290 F294 S295 T296A40-Y292 HydrophobicContact CB-CD2 3.33Å; A40-Y292 HydrophobicContact CB-CE2 3.39Å; A40-Y292 HydrophobicContact CB-CG 4.44Å; F44-Y292 AromaticContact CE2-CD1 3.9Å; F44-Y292 HydrophobicContact CE2-CD1 3.9Å; F44-Y292 AromaticContact CE2-CD2 3.94Å; F44-Y292 HydrophobicContact CE2-CD2 3.94Å; F44-Y292 HydrophobicContact CE2-CE1 4.1Å; F44-Y292 HydrophobicContact CE2-CE2 4.13Å; F44-Y292 AromaticContact CE2-CG 3.85Å; F44-Y292 HydrophobicContact CE2-CG 3.85Å; F44-Y292 AromaticContact CZ-CD1 3.55Å; F44-Y292 HydrophobicContact CZ-CD1 3.55Å; F44-Y292 AromaticContact CZ-CD2 3.96Å; F44-Y292 HydrophobicContact CZ-CD2 3.96Å; F44-Y292 HydrophobicContact CZ-CE1 4.19Å; F44-Y292 AromaticContact CZ-CG 3.44Å; F44-Y292 HydrophobicContact CZ-CG 3.44Å; F44-Y292 VanDerWaalsContact CZ-CG 3.44Å; M58-Y292 HydrophobicContact CB-CD1 4.29Å; M58-Y292 HydrophobicContact CB-CE1 4.05Å; M58-Y292 HydrophobicContact CG-CD1 4.19Å; M58-Y292 HydrophobicContact CG-CE1 4.18Å; M58-Y292 HydrophobicContact SD-CD1 4.25Å; L61-Y292 HydrophobicContact CD2-CE1 4.21Å; A62-Y292 HydrophobicContact CB-CE2 4.41Å; A62-Y292 PolarHBondContact N-OH 3.12Å; D288-Y292 HydrophobicContact CB-CE1 4.43Å; D288-Y292 WeakPolarHBondContact O-CD1 3.09Å; D288-Y292 PolarHBondContact O-N 2.97Å; D288-Y292 VanDerWaalsContact O-N 3.13Å; P289-Y292 VanDerWaalsContact CA-CD2 3.49Å; P289-Y292 HydrophobicContact CB-CD2 4.36Å; P289-Y292 HydrophobicContact CG-CE2 4.45Å; P289-Y292 WeakPolarHBondContact O-CB 3.46Å; P289-Y292 PolarHBondContact O-N 3.21Å; V290-Y292 VanDerWaalsContact C-N 3.31Å; V290-Y292 PolarHBondContact O-N 3.31Å; Y292-F294 PolarHBondContact O-N 3.31Å; Y292-S295 PolarHBondContact O-N 3.37Å; Y292-T296 PolarHBondContact O-N 3Å; Y292-T296 VanDerWaalsContact O-N 3.14Å; Y292-T296 PolarHBondContact O-OG1 3.15Å
293Y73.2Confident75.3Confident91 Ų9140.7 Ų40.736%0.35719%0.192SC..Hα-helixtrans-60.2-43.7175.5-177.2-89000112.6P289 V290 I291 F299 R300 L303P289-Y293 PolarHBondContact O-N 2.84Å; P289-Y293 VanDerWaalsContact O-N 3.09Å; V290-Y293 PolarHBondContact O-N 3.33Å; I291-Y293 VanDerWaalsContact C-N 3.33Å; I291-Y293 PolarHBondContact O-N 3.17Å; Y293-F299 VanDerWaalsContact CA-CD1 3.5Å; Y293-F299 HydrophobicContact CD2-CD1 4.19Å; Y293-F299 HydrophobicContact CD2-CE1 4.44Å; Y293-R300 HydrophobicContact CD1-CG 4.24Å; Y293-R300 HydrophobicContact CD2-CG 3.89Å; Y293-R300 HydrophobicContact CE1-CG 4.03Å; Y293-R300 HydrophobicContact CE2-CB 4.32Å; Y293-R300 HydrophobicContact CE2-CG 3.69Å; Y293-R300 HydrophobicContact CG-CG 4.16Å; Y293-R300 WeakPolarHBondContact O-CD 3.23Å; Y293-R300 WeakPolarHBondContact O-CG 3.35Å; Y293-L303 HydrophobicContact CD2-CD1 4.07Å
294F69.3Low73.9Confident51 Ų5143.2 Ų43.222%0.22421%0.214CC..Hα-helixtrans-79.9-24.2178.2-64-53.1000113.6K230 T234 V290 I291 Y292K230-F294 HydrophobicContact CD-CD1 3.8Å; K230-F294 HydrophobicContact CD-CE1 4.13Å; K230-F294 HydrophobicContact CD-CG 4.23Å; K230-F294 HydrophobicContact CG-CD1 4.43Å; K230-F294 HydrophobicContact CG-CG 4.36Å; T234-F294 HydrophobicContact CG2-CD2 4.18Å; V290-F294 HydrophobicContact CG1-CD2 3.94Å; V290-F294 HydrophobicContact CG1-CE2 3.52Å; V290-F294 VanDerWaalsContact O-CD2 3.25Å; V290-F294 WeakPolarHBondContact O-CD2 3.4Å; V290-F294 PolarHBondContact O-N 3.45Å; I291-F294 PolarHBondContact O-N 3.31Å; Y292-F294 PolarHBondContact O-N 3.31Å
295S65.1Low72Confident4 Ų450.1 Ų50.13%0.02824%0.24CC..Hα-helixtrans-77.5-35.4-177.3-176.70000113.9M58 R116 M231 I291 Y292M58-S295 WeakPolarHBondContact CE-OG 3.17Å; M58-S295 PolarHBondContact SD-OG 3.4Å; R116-S295 PolarHBondContact NH2-O 3.45Å; R116-S295 PolarHBondContact NH2-OG 2.85Å; M231-S295 WeakPolarHBondContact SD-CA 3.12Å; M231-S295 WeakPolarHBondContact SD-CB 3.39Å; M231-S295 PolarHBondContact SD-OG 2.83Å; I291-S295 WeakPolarHBondContact O-CB 3.41Å; I291-S295 PolarHBondContact O-N 3.35Å; Y292-S295 PolarHBondContact O-N 3.37Å
296T66.3Low69.8Low3 Ų357.5 Ų57.52%0.01827%0.274CS..  trans-125117.9-169.611.60000111.9Y47 V55 Y292 E298 F299 R300Y47-T296 HydrophobicContact CD1-CG2 4.16Å; Y47-T296 HydrophobicContact CE1-CG2 3.93Å; V55-T296 HydrophobicContact CG1-CG2 4.48Å; Y292-T296 PolarHBondContact O-N 3Å; Y292-T296 VanDerWaalsContact O-N 3.14Å; Y292-T296 PolarHBondContact O-OG1 3.15Å; T296-E298 PolarHBondContact O-N 2.96Å; T296-F299 PolarHBondContact O-N 3.18Å; T296-F299 VanDerWaalsContact O-N 3.14Å; T296-F299 WeakPolarHBondContact OG1-CB 3.3Å; T296-R300 PolarHBondContact O-N 3.39Å
297N65.3Low68Low77 Ų7757.9 Ų57.941%0.41227%0.274SS..Hα-helixtrans-60-29.5170.5-73.2-11.1000110.9K227 R300 R301K227-N297 WeakPolarHBondContact CE-OD1 3.47Å; K227-N297 PolarHBondContact NZ-ND2 3.37Å; K227-N297 PolarHBondContact NZ-OD1 3.46Å; N297-R300 PolarHBondContact O-N 2.97Å; N297-R301 VanDerWaalsContact O-CB 3.28Å; N297-R301 WeakPolarHBondContact O-CB 3.04Å; N297-R301 PolarHBondContact O-N 2.86Å
298E64Low66.3Low16 Ų1659 Ų598%0.07528%0.28CS..Hα-helixtrans-66.4-41.9175.7-169.161-152.900112.6Y47 T296 R300 R301 R302Y47-E298 HydrophobicContact CD2-CB 3.32Å; Y47-E298 HydrophobicContact CD2-CG 3.6Å; Y47-E298 HydrophobicContact CE2-CB 3.72Å; Y47-E298 HydrophobicContact CE2-CG 4.41Å; Y47-E298 HydrophobicContact CG-CB 4.11Å; Y47-E298 HydrophobicContact CG-CG 4.29Å; T296-E298 PolarHBondContact O-N 2.96Å; E298-R300 VanDerWaalsContact C-N 3.3Å; E298-R300 PolarHBondContact O-N 2.85Å; E298-R301 PolarHBondContact O-N 3.16Å; E298-R301 VanDerWaalsContact O-N 3.11Å; E298-R301 IonicContact OE1-CZ 3.37Å; E298-R301 IonicContact OE1-NE 3.19Å; E298-R301 PolarHBondContact OE1-NE 2.72Å; E298-R301 IonicContact OE1-NH2 3.69Å; E298-R301 PolarHBondContact OE1-NH2 3.46Å; E298-R301 IonicContact OE2-CZ 3.06Å; E298-R301 IonicContact OE2-NE 2.97Å; E298-R301 PolarHBondContact OE2-NE 2.98Å; E298-R301 IonicContact OE2-NH2 2.87Å; E298-R301 PolarHBondContact OE2-NH2 3.41Å; E298-R302 HydrophobicContact CG-CG 4.11Å; E298-R302 WeakPolarHBondContact O-CB 3.48Å; E298-R302 WeakPolarHBondContact O-CG 3.45Å; E298-R302 PolarHBondContact O-N 3.05Å; E298-R302 VanDerWaalsContact OE1-CG 3.27Å; E298-R302 WeakPolarHBondContact OE1-CG 3.39Å; E298-R302 IonicContact OE1-NE 2.75Å; E298-R302 PolarHBondContact OE1-NE 3.46Å
299F64.3Low64.8Low8 Ų865 Ų654%0.03531%0.308CS..Hα-helixtrans-61.6-42.6176.8-166.8-86.8000110.7A40 V43 Y293 T296 L303A40-F299 HydrophobicContact CB-CE2 4.23Å; V43-F299 HydrophobicContact CB-CD2 4Å; V43-F299 HydrophobicContact CB-CE2 4.44Å; V43-F299 HydrophobicContact CG1-CB 4.2Å; V43-F299 HydrophobicContact CG1-CD2 3.73Å; V43-F299 HydrophobicContact CG1-CG 4.37Å; V43-F299 HydrophobicContact CG2-CD2 4.2Å; V43-F299 HydrophobicContact CG2-CE2 4.4Å; Y293-F299 VanDerWaalsContact CA-CD1 3.5Å; Y293-F299 HydrophobicContact CD2-CD1 4.19Å; Y293-F299 HydrophobicContact CD2-CE1 4.44Å; T296-F299 PolarHBondContact O-N 3.18Å; T296-F299 VanDerWaalsContact O-N 3.14Å; T296-F299 WeakPolarHBondContact OG1-CB 3.3Å; F299-L303 HydrophobicContact CD1-CD1 3.51Å; F299-L303 HydrophobicContact CD1-CG 4.41Å; F299-L303 HydrophobicContact CE1-CD1 3.22Å; F299-L303 HydrophobicContact CE1-CG 4.29Å; F299-L303 HydrophobicContact CZ-CD1 3.99Å; F299-L303 WeakPolarHBondContact O-CB 3.48Å; F299-L303 WeakPolarHBondContact O-CG 3.43Å; F299-L303 PolarHBondContact O-N 2.05Å; F299-L303 VanDerWaalsContact O-N 3.09Å
300R67.2Low63.6Low118 Ų11867.6 Ų67.645%0.44532%0.32SS..Hα-helixtrans-61.7-44.7171-64.7179.154.6-138-5.2112.3Y293 T296 N297 E298 S304Y293-R300 HydrophobicContact CD1-CG 4.24Å; Y293-R300 HydrophobicContact CD2-CG 3.89Å; Y293-R300 HydrophobicContact CE1-CG 4.03Å; Y293-R300 HydrophobicContact CE2-CB 4.32Å; Y293-R300 HydrophobicContact CE2-CG 3.69Å; Y293-R300 HydrophobicContact CG-CG 4.16Å; Y293-R300 WeakPolarHBondContact O-CD 3.23Å; Y293-R300 WeakPolarHBondContact O-CG 3.35Å; T296-R300 PolarHBondContact O-N 3.39Å; N297-R300 PolarHBondContact O-N 2.97Å; E298-R300 VanDerWaalsContact C-N 3.3Å; E298-R300 PolarHBondContact O-N 2.85Å; R300-S304 WeakPolarHBondContact O-CB 3.29Å; R300-S304 PolarHBondContact O-N 3.49Å
301R65.3Low62.6Low101 Ų10166.8 Ų66.838%0.38132%0.318SS..Hα-helixtrans-64.9-44.4-177.8-172.8177.874.3160.84111.7E50 N297 E298 S304 R305E50-R301 IonicContact OE2-NH2 3.88Å; E50-R301 PolarHBondContact OE2-NH2 3.24Å; N297-R301 VanDerWaalsContact O-CB 3.28Å; N297-R301 WeakPolarHBondContact O-CB 3.04Å; N297-R301 PolarHBondContact O-N 2.86Å; E298-R301 PolarHBondContact O-N 3.16Å; E298-R301 VanDerWaalsContact O-N 3.11Å; E298-R301 IonicContact OE1-CZ 3.37Å; E298-R301 IonicContact OE1-NE 3.19Å; E298-R301 PolarHBondContact OE1-NE 2.72Å; E298-R301 IonicContact OE1-NH2 3.69Å; E298-R301 PolarHBondContact OE1-NH2 3.46Å; E298-R301 IonicContact OE2-CZ 3.06Å; E298-R301 IonicContact OE2-NE 2.97Å; E298-R301 PolarHBondContact OE2-NE 2.98Å; E298-R301 IonicContact OE2-NH2 2.87Å; E298-R301 PolarHBondContact OE2-NH2 3.41Å; R301-S304 PolarHBondContact O-N 3.13Å; R301-R305 VanDerWaalsContact O-CB 3.25Å; R301-R305 WeakPolarHBondContact O-CB 3.07Å; R301-R305 PolarHBondContact O-N 2.95Å
302R65.9Low61.7Low66 Ų6671.9 Ų71.925%0.24934%0.344CS..Hα-helixtrans-73.9-31.6-179.2-68.5-70.5-169.8152.310.5113E50 E298 D307E50-R302 IonicContact OE1-CZ 2.86Å; E50-R302 IonicContact OE1-NH2 2.73Å; E50-R302 PolarHBondContact OE1-NH2 3.17Å; E298-R302 HydrophobicContact CG-CG 4.11Å; E298-R302 WeakPolarHBondContact O-CB 3.48Å; E298-R302 WeakPolarHBondContact O-CG 3.45Å; E298-R302 PolarHBondContact O-N 3.05Å; E298-R302 VanDerWaalsContact OE1-CG 3.27Å; E298-R302 WeakPolarHBondContact OE1-CG 3.39Å; E298-R302 IonicContact OE1-NE 2.75Å; E298-R302 PolarHBondContact OE1-NE 3.46Å; R302-D307 WeakPolarHBondContact CD-OD2 3.33Å; R302-D307 IonicContact CZ-OD2 2.82Å; R302-D307 IonicContact NE-OD2 3.92Å; R302-D307 IonicContact NH1-OD2 3.7Å; R302-D307 PolarHBondContact NH1-OD2 3.02Å
303L65.9Low60.6Low83 Ų8376.1 Ų76.144%0.43536%0.364SS..Hα-helixtrans-73.6-31.7169.5-78.6172.5000112.7L39 Y293 F299L39-L303 HydrophobicContact CD2-CD2 4.01Å; Y293-L303 HydrophobicContact CD2-CD1 4.07Å; F299-L303 HydrophobicContact CD1-CD1 3.51Å; F299-L303 HydrophobicContact CD1-CG 4.41Å; F299-L303 HydrophobicContact CE1-CD1 3.22Å; F299-L303 HydrophobicContact CE1-CG 4.29Å; F299-L303 HydrophobicContact CZ-CD1 3.99Å; F299-L303 WeakPolarHBondContact O-CB 3.48Å; F299-L303 WeakPolarHBondContact O-CG 3.43Å; F299-L303 PolarHBondContact O-N 2.05Å; F299-L303 VanDerWaalsContact O-N 3.09Å
304S65.4Low59.8Low106 Ų10677.6 Ų77.674%0.74138%0.377SS*.Hα-helixtrans-87-23.6179.9-178.30000113.6R300 R301R300-S304 WeakPolarHBondContact O-CB 3.29Å; R300-S304 PolarHBondContact O-N 3.49Å; R301-S304 PolarHBondContact O-N 3.13Å
305R53.3Low59.2Low145 Ų14582.3 Ų82.355%0.54740%0.399SS..SBendtrans-83144173.3-94.3-173.3164.5179.1-6.7109.6R301 D307R301-R305 VanDerWaalsContact O-CB 3.25Å; R301-R305 WeakPolarHBondContact O-CB 3.07Å; R301-R305 PolarHBondContact O-N 2.95Å; R305-D307 PolarHBondContact O-N 2.86Å
306Q47.6Very low58.7Low156 Ų15684.6 Ų84.673%0.72942%0.419SS*.THydrogen-bonded Turntrans-54.61.9172.5-71.8162.5-54.900115.2L308 H309 D310Q306-L308 VanDerWaalsContact C-N 3.32Å; Q306-L308 PolarHBondContact O-N 3.36Å; Q306-H309 CarbonylContact O-C 3.55Å; Q306-H309 WeakPolarHBondContact O-CA 3.27Å; Q306-H309 WeakPolarHBondContact O-CB 3.18Å; Q306-H309 PolarHBondContact O-N 3.29Å; Q306-D310 PolarHBondContact O-N 3.22Å
307D52.4Low58.2Low38 Ų3891.2 Ų91.220%0.20345%0.447CS..Hα-helixtrans-60-33.4-177.8-69.4-3.2000113.5R302 R305 H309 D310 S311R302-D307 WeakPolarHBondContact CD-OD2 3.33Å; R302-D307 IonicContact CZ-OD2 2.82Å; R302-D307 IonicContact NE-OD2 3.92Å; R302-D307 IonicContact NH1-OD2 3.7Å; R302-D307 PolarHBondContact NH1-OD2 3.02Å; R305-D307 PolarHBondContact O-N 2.86Å; D307-H309 VanDerWaalsContact C-N 3.29Å; D307-D310 PolarHBondContact O-N 3.47Å; D307-S311 VanDerWaalsContact O-CB 3.29Å; D307-S311 WeakPolarHBondContact O-CB 3.42Å; D307-S311 PolarHBondContact O-N 3.47Å; D307-S311 PolarHBondContact O-OG 3.29Å
308L52.2Low57.7Low86 Ų8690.3 Ų90.345%0.4545%0.447SS..Hα-helixtrans-66-37.5173.4-171.469.5000110.6Q306 I312Q306-L308 VanDerWaalsContact C-N 3.32Å; Q306-L308 PolarHBondContact O-N 3.36Å; L308-I312 HydrophobicContact CG-CD1 4.11Å; L308-I312 WeakPolarHBondContact O-CB 3.45Å; L308-I312 WeakPolarHBondContact O-CD1 3.39Å; L308-I312 WeakPolarHBondContact O-CG1 3.3Å; L308-I312 PolarHBondContact O-N 2.87Å; L308-I312 VanDerWaalsContact O-N 3.11Å
309H51.7Low57.2Low127 Ų12796.1 Ų96.159%0.58847%0.472SS*.Hα-helixtrans-68.2-42.1176.2-132.8-88.4000111.1Q306 D307 Q313Q306-H309 CarbonylContact O-C 3.55Å; Q306-H309 WeakPolarHBondContact O-CA 3.27Å; Q306-H309 WeakPolarHBondContact O-CB 3.18Å; Q306-H309 PolarHBondContact O-N 3.29Å; D307-H309 VanDerWaalsContact C-N 3.29Å; H309-Q313 WeakPolarHBondContact O-CB 3.26Å; H309-Q313 VanDerWaalsContact O-CG 3.3Å; H309-Q313 WeakPolarHBondContact O-CG 3.35Å; H309-Q313 PolarHBondContact O-N 2.87Å
310D54.1Low56.9Low78 Ų78100.3 Ų100.342%0.41750%0.498SS..Hα-helixtrans-71.5-35.4178.4-70.4-21.5000112.4Q306 D307 Q313 L314Q306-D310 PolarHBondContact O-N 3.22Å; D307-D310 PolarHBondContact O-N 3.47Å; D310-Q313 PolarHBondContact O-N 3.46Å; D310-L314 VanDerWaalsContact O-CB 3.27Å; D310-L314 WeakPolarHBondContact O-CB 3.29Å; D310-L314 WeakPolarHBondContact O-CD1 3.47Å; D310-L314 VanDerWaalsContact O-CG 3.25Å; D310-L314 WeakPolarHBondContact O-CG 3.37Å; D310-L314 PolarHBondContact O-N 3.22Å
311S54.3Low56.3Low49 Ų4998 Ų9834%0.34350%0.501SS..Hα-helixtrans-65.7-43.3175-540000111.5D307 H315D307-S311 VanDerWaalsContact O-CB 3.29Å; D307-S311 WeakPolarHBondContact O-CB 3.42Å; D307-S311 PolarHBondContact O-N 3.47Å; D307-S311 PolarHBondContact O-OG 3.29Å; S311-H315 PolarHBondContact O-N 2.89Å; S311-H315 VanDerWaalsContact O-N 3.09Å
312I57.3Low55.7Low106 Ų10698.4 Ų98.454%0.54451%0.51SS..Hα-helixtrans-66.2-41.9175-68.8168000110.1L308 H315 A316L308-I312 HydrophobicContact CG-CD1 4.11Å; L308-I312 WeakPolarHBondContact O-CB 3.45Å; L308-I312 WeakPolarHBondContact O-CD1 3.39Å; L308-I312 WeakPolarHBondContact O-CG1 3.3Å; L308-I312 PolarHBondContact O-N 2.87Å; L308-I312 VanDerWaalsContact O-N 3.11Å; I312-H315 PolarHBondContact O-N 3.49Å; I312-A316 VanDerWaalsContact O-CB 3.27Å; I312-A316 WeakPolarHBondContact O-CB 3.31Å; I312-A316 PolarHBondContact O-N 3.06Å
313Q52.7Low55.1Low90 Ų90100.8 Ų100.842%0.42152%0.524SS..Hα-helixtrans-68.9-35.3177.3-77.8-166.25.600113.6H309 D310 A316 K317H309-Q313 WeakPolarHBondContact O-CB 3.26Å; H309-Q313 VanDerWaalsContact O-CG 3.3Å; H309-Q313 WeakPolarHBondContact O-CG 3.35Å; H309-Q313 PolarHBondContact O-N 2.87Å; D310-Q313 PolarHBondContact O-N 3.46Å; Q313-A316 PolarHBondContact O-N 2.94Å; Q313-K317 VanDerWaalsContact O-CB 3.31Å; Q313-K317 WeakPolarHBondContact O-CB 3.05Å; Q313-K317 VanDerWaalsContact O-CG 3.32Å; Q313-K317 WeakPolarHBondContact O-CG 3.29Å; Q313-K317 PolarHBondContact O-N 3.5Å
314L56.1Low54.5Low122 Ų122100.6 Ų100.664%0.63953%0.526SS*.Hα-helixtrans-68.5-40.7175.6-79.6163.2000111.5D310 K317 S318D310-L314 VanDerWaalsContact O-CB 3.27Å; D310-L314 WeakPolarHBondContact O-CB 3.29Å; D310-L314 WeakPolarHBondContact O-CD1 3.47Å; D310-L314 VanDerWaalsContact O-CG 3.25Å; D310-L314 WeakPolarHBondContact O-CG 3.37Å; D310-L314 PolarHBondContact O-N 3.22Å; L314-K317 PolarHBondContact O-N 3.06Å; L314-S318 PolarHBondContact O-N 2.83Å
315H56.7Low53.8Low149 Ų14998.3 Ų98.369%0.6951%0.514SS*.Hα-helixtrans-67.4-40.8172.8-113.779.6000112.2S311 I312 K317 S318 F319S311-H315 PolarHBondContact O-N 2.89Å; S311-H315 VanDerWaalsContact O-N 3.09Å; I312-H315 PolarHBondContact O-N 3.49Å; H315-K317 PolarHBondContact O-N 3.34Å; H315-S318 PolarHBondContact O-N 2.96Å; H315-S318 PolarHBondContact O-OG 3.06Å; H315-F319 WeakPolarHBondContact O-CB 3.32Å; H315-F319 PolarHBondContact O-N 3.1Å
316A55.7Low53.6Low52 Ų5295 Ų9543%0.4351%0.513SS..Hα-helixtrans-63.4-40.617500000111.9I312 Q313 F319 V320I312-A316 VanDerWaalsContact O-CB 3.27Å; I312-A316 WeakPolarHBondContact O-CB 3.31Å; I312-A316 PolarHBondContact O-N 3.06Å; Q313-A316 PolarHBondContact O-N 2.94Å; A316-F319 PolarHBondContact O-N 2.92Å; A316-V320 VanDerWaalsContact O-CG2 3.3Å; A316-V320 WeakPolarHBondContact O-CG2 3.48Å; A316-V320 PolarHBondContact O-N 3.34Å
317K54.9Low53.7Low142 Ų14291.5 Ų91.562%0.61750%0.502SS*.Hα-helixtrans-67.1-38.7175.4-80176.3178.1174.30112.8Q313 L314 H315 F319 S321Q313-K317 VanDerWaalsContact O-CB 3.31Å; Q313-K317 WeakPolarHBondContact O-CB 3.05Å; Q313-K317 VanDerWaalsContact O-CG 3.32Å; Q313-K317 WeakPolarHBondContact O-CG 3.29Å; Q313-K317 PolarHBondContact O-N 3.5Å; L314-K317 PolarHBondContact O-N 3.06Å; H315-K317 PolarHBondContact O-N 3.34Å; K317-F319 VanDerWaalsContact C-N 3.35Å; K317-S321 VanDerWaalsContact O-CB 3.32Å; K317-S321 WeakPolarHBondContact O-CB 3.48Å; K317-S321 PolarHBondContact O-N 3.39Å
318S55.6Low53.5Low58 Ų5894 Ų9441%0.40652%0.518SS..Hα-helixtrans-70-33.9176.493.10000112L314 H315 N322L314-S318 PolarHBondContact O-N 2.83Å; H315-S318 PolarHBondContact O-N 2.96Å; H315-S318 PolarHBondContact O-OG 3.06Å; S318-N322 WeakPolarHBondContact O-CB 3.1Å; S318-N322 VanDerWaalsContact O-CG 3.3Å; S318-N322 PolarHBondContact O-N 2.9Å; S318-N322 VanDerWaalsContact O-N 3.13Å; S318-N322 PolarHBondContact O-ND2 3.49Å
319F52.7Low53.3Low139 Ų13994.7 Ų94.761%0.6153%0.527SS*.Hα-helixtrans-68.3-42.6175.3-165.2-96.4000112H315 A316 K317 N322 H323H315-F319 WeakPolarHBondContact O-CB 3.32Å; H315-F319 PolarHBondContact O-N 3.1Å; A316-F319 PolarHBondContact O-N 2.92Å; K317-F319 VanDerWaalsContact C-N 3.35Å; F319-N322 PolarHBondContact O-N 2.94Å; F319-H323 AromaticContact CE1-CD2 3.72Å; F319-H323 PolarHBondContact O-N 2.89Å
320V57.6Low53Low95 Ų9593.7 Ų93.758%0.57653%0.529SS*.Hα-helixtrans-65.6-43.9174.8172.10000111.5A316 N322 H323 T324A316-V320 VanDerWaalsContact O-CG2 3.3Å; A316-V320 WeakPolarHBondContact O-CG2 3.48Å; A316-V320 PolarHBondContact O-N 3.34Å; V320-N322 VanDerWaalsContact C-N 3.29Å; V320-N322 PolarHBondContact O-N 2.99Å; V320-H323 PolarHBondContact O-N 3.4Å; V320-H323 VanDerWaalsContact O-N 3.17Å; V320-T324 PolarHBondContact O-N 3.45Å; V320-T324 PolarHBondContact O-OG1 3.2Å
321S55.8Low52.6Low71 Ų7198.3 Ų98.350%0.49755%0.548SS..Hα-helixtrans-63.4-32.8179.2-170.20000113.3K317 T324 A325K317-S321 VanDerWaalsContact O-CB 3.32Å; K317-S321 WeakPolarHBondContact O-CB 3.48Å; K317-S321 PolarHBondContact O-N 3.39Å; S321-T324 PolarHBondContact O-OG1 2.97Å; S321-A325 WeakPolarHBondContact O-CB 3.34Å; S321-A325 PolarHBondContact O-N 2.68Å
322N52.1Low52.2Low108 Ų108103 Ų10358%0.57857%0.569SS**Hα-helixtrans-75-33.3175.8-74.6-11.2000111.7S318 F319 V320 S326S318-N322 WeakPolarHBondContact O-CB 3.1Å; S318-N322 VanDerWaalsContact O-CG 3.3Å; S318-N322 PolarHBondContact O-N 2.9Å; S318-N322 VanDerWaalsContact O-N 3.13Å; S318-N322 PolarHBondContact O-ND2 3.49Å; F319-N322 PolarHBondContact O-N 2.94Å; V320-N322 VanDerWaalsContact C-N 3.29Å; V320-N322 PolarHBondContact O-N 2.99Å; N322-S326 PolarHBondContact O-N 3.29Å; N322-S326 PolarHBondContact O-OG 3.06Å; N322-S326 VanDerWaalsContact O-OG 3.11Å
323H52.8Low51.3Low116 Ų116106.6 Ų106.654%0.53760%0.602SS.*Hα-helixtrans-70-40.5175.2-108.7-60.4000113F319 V320 S326 T327F319-H323 AromaticContact CE1-CD2 3.72Å; F319-H323 PolarHBondContact O-N 2.89Å; V320-H323 PolarHBondContact O-N 3.4Å; V320-H323 VanDerWaalsContact O-N 3.17Å; H323-S326 PolarHBondContact O-N 3.45Å; H323-T327 PolarHBondContact O-N 2.9Å; H323-T327 PolarHBondContact O-OG1 3.37Å
324T52.8Low51.3Low80 Ų80107.5 Ų107.549%0.49161%0.611SS.*Hα-helixtrans-66.3-37.5173.920.60000112.3V320 S321 S326 T327 V328V320-T324 PolarHBondContact O-N 3.45Å; V320-T324 PolarHBondContact O-OG1 3.2Å; S321-T324 PolarHBondContact O-OG1 2.97Å; T324-S326 VanDerWaalsContact C-N 3.33Å; T324-S326 PolarHBondContact O-N 2.79Å; T324-T327 PolarHBondContact O-N 3.25Å; T324-V328 WeakPolarHBondContact O-CG2 3.34Å; T324-V328 PolarHBondContact O-N 3.19Å; T324-V328 VanDerWaalsContact O-N 3.08Å
325A50.8Low51Low58 Ų58106.7 Ų106.748%0.47961%0.609SS.*Hα-helixtrans-64.1-34.6175.800000113.2S321 T329S321-A325 WeakPolarHBondContact O-CB 3.34Å; S321-A325 PolarHBondContact O-N 2.68Å; A325-T329 PolarHBondContact O-N 2.92Å; A325-T329 PolarHBondContact O-OG1 2.99Å
326S49Very low50.7Low76 Ų76104.3 Ų104.353%0.53161%0.605SS.*Hα-helixtrans-74.8-23.9174.9-600000114.2N322 H323 T324 T329 T330N322-S326 PolarHBondContact O-N 3.29Å; N322-S326 PolarHBondContact O-OG 3.06Å; N322-S326 VanDerWaalsContact O-OG 3.11Å; H323-S326 PolarHBondContact O-N 3.45Å; T324-S326 VanDerWaalsContact C-N 3.33Å; T324-S326 PolarHBondContact O-N 2.79Å; S326-T329 WeakPolarHBondContact CA-OG1 3.38Å; S326-T329 PolarHBondContact O-OG1 3.03Å; S326-T330 PolarHBondContact O-OG1 3.2Å
327T49.5Very low50.4Low82 Ų82107.4 Ų107.450%0.50362%0.615SS.*Hα-helixtrans-84.3-35.1178.8-35.30000111.4H323 T324 T329 T330H323-T327 PolarHBondContact O-N 2.9Å; H323-T327 PolarHBondContact O-OG1 3.37Å; T324-T327 PolarHBondContact O-N 3.25Å; T327-T329 VanDerWaalsContact C-N 3.3Å; T327-T329 PolarHBondContact O-N 3.46Å; T327-T330 PolarHBondContact O-N 3.34Å; T327-T330 PolarHBondContact O-OG1 3.4Å; T327-T330 VanDerWaalsContact O-OG1 3.11Å
328V50.2Low50.1Low89 Ų89105.3 Ų105.354%0.53962%0.615SS.*Hα-helixtrans-70.3-26.7176174.60000112.2T324 T330T324-V328 WeakPolarHBondContact O-CG2 3.34Å; T324-V328 PolarHBondContact O-N 3.19Å; T324-V328 VanDerWaalsContact O-N 3.08Å; V328-T330 VanDerWaalsContact C-N 3.32Å
329T47Very low49.8Very low102 Ų102108.4 Ų108.463%0.62663%0.629SS**THydrogen-bonded Turntrans-78.8-12.8175.631.20000113.6A325 S326 T327A325-T329 PolarHBondContact O-N 2.92Å; A325-T329 PolarHBondContact O-OG1 2.99Å; S326-T329 WeakPolarHBondContact CA-OG1 3.38Å; S326-T329 PolarHBondContact O-OG1 3.03Å; T327-T329 VanDerWaalsContact C-N 3.3Å; T327-T329 PolarHBondContact O-N 3.46Å
330T46.5Very low49.6Very low105 Ų105106.2 Ų106.264%0.64463%0.63SS**THydrogen-bonded Turntrans-94.4-13.5176.514.80000113.9S326 T327 V328S326-T330 PolarHBondContact O-OG1 3.2Å; T327-T330 PolarHBondContact O-N 3.34Å; T327-T330 PolarHBondContact O-OG1 3.4Å; T327-T330 VanDerWaalsContact O-OG1 3.11Å; V328-T330 VanDerWaalsContact C-N 3.32Å
331E43.8Very low48.9Very low175 Ų175107.1 Ų107.182%0.81863%0.634SS**SBendtrans-93.92.2173.2-72.2-167.8153.200113.9
332L45.8Very low48.4Very low148 Ų148110.1 Ų110.178%0.77565%0.646SS**  trans-113.720.2-179.1-101.8146.8000113.5
333C40.3Very low48Very low182 Ų182110.3 Ų110.3100%1.2365%0.652SS**  trans-124.20174-145.50000112.1

Retrieved 333 of 333 residues in 314.4 ms (Link to these results)

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