A0A096MPI5_PAPAN Loading...

Transmembrane protein 117

AlphaFold DB (F8VS00), UniProt , Accession A0A096MPI5, Species PAPAN (Papio anubis, Olive baboon), Gene TMEM117, Length 268 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
1M45.9Very low72.5Confident230 Ų230111.6 Ų111.6100%1.13352%0.524SS*.  0120.60-147.8162.2158.800106.6
2G53.8Low73.4Confident60 Ų60102.4 Ų102.462%0.61948%0.481SS*.  trans-61.1145.2-176.700000111D4G2-D4 VanDerWaalsContact C-N 3.27Å; G2-D4 PolarHBondContact O-N 3Å
3K63.2Low74.4Confident132 Ų132106 Ų10657%0.57449%0.488SS*.  trans-73.986.4173.5-67.2179.6-179.7173.10108.3Y7 Y8K3-Y7 HydrophobicContact CB-CD1 4.05Å; K3-Y7 HydrophobicContact CB-CG 4.45Å; K3-Y7 HydrophobicContact CD-CD1 4.11Å; K3-Y7 HydrophobicContact CD-CE1 3.93Å; K3-Y7 HydrophobicContact CG-CD1 3.89Å; K3-Y7 HydrophobicContact CG-CE1 4.03Å; K3-Y7 HydrophobicContact CG-CG 4.42Å; K3-Y8 HydrophobicContact CB-CE2 3.63Å; K3-Y8 HydrophobicContact CD-CE2 4.42Å; K3-Y8 WeakPolarHBondContact CD-OH 3.3Å
4D78.4Confident75.2Confident109 Ų109100.9 Ų100.958%0.58347%0.47SS*.  trans-68.7162176-67.4-23.1000110.9G2 R6 Y7G2-D4 VanDerWaalsContact C-N 3.27Å; G2-D4 PolarHBondContact O-N 3Å; D4-R6 PolarHBondContact O-N 2.93Å; D4-Y7 VanDerWaalsContact O-CB 3.26Å; D4-Y7 WeakPolarHBondContact O-CB 3.39Å; D4-Y7 PolarHBondContact O-N 2.85Å
5F77.7Confident76Confident164 Ų16494.4 Ų94.472%0.71944%0.44SS*.Hα-helixtrans-48.5-35.1176.4176-100.9000113Y7 Y8 F9F5-Y7 VanDerWaalsContact C-N 3.31Å; F5-Y7 PolarHBondContact O-N 3.37Å; F5-Y8 PolarHBondContact O-N 2.9Å; F5-F9 HydrophobicContact CD1-CB 4.49Å; F5-F9 HydrophobicContact CE1-CB 4.2Å; F5-F9 HydrophobicContact CE1-CD2 4.42Å; F5-F9 HydrophobicContact CE1-CG 4.36Å; F5-F9 HydrophobicContact CZ-CD2 4.37Å; F5-F9 WeakPolarHBondContact O-CB 3.3Å; F5-F9 PolarHBondContact O-N 2.9Å
6R75.8Confident76.7Confident188 Ų18890.1 Ų90.171%0.70942%0.42SS*.Hα-helixtrans-57.9-39.1175.6-70-179.5171-177.3-2113.2D4 F9 Q10D4-R6 PolarHBondContact O-N 2.93Å; R6-F9 PolarHBondContact O-N 3.22Å; R6-Q10 VanDerWaalsContact O-CB 3.3Å; R6-Q10 WeakPolarHBondContact O-CB 3.26Å; R6-Q10 VanDerWaalsContact O-CG 3.3Å; R6-Q10 WeakPolarHBondContact O-CG 3.24Å; R6-Q10 PolarHBondContact O-N 3.37Å
7Y77Confident77.5Confident83 Ų8390.3 Ų90.333%0.32542%0.423SS..Hα-helixtrans-63.8-42.7177.9-177.7-94.5000111.4K3 D4 F5 H11 Y181K3-Y7 HydrophobicContact CB-CD1 4.05Å; K3-Y7 HydrophobicContact CB-CG 4.45Å; K3-Y7 HydrophobicContact CD-CD1 4.11Å; K3-Y7 HydrophobicContact CD-CE1 3.93Å; K3-Y7 HydrophobicContact CG-CD1 3.89Å; K3-Y7 HydrophobicContact CG-CE1 4.03Å; K3-Y7 HydrophobicContact CG-CG 4.42Å; D4-Y7 VanDerWaalsContact O-CB 3.26Å; D4-Y7 WeakPolarHBondContact O-CB 3.39Å; D4-Y7 PolarHBondContact O-N 2.85Å; F5-Y7 VanDerWaalsContact C-N 3.31Å; F5-Y7 PolarHBondContact O-N 3.37Å; Y7-H11 PolarHBondContact O-N 2.77Å; Y7-Y181 HydrophobicContact CD1-CE1 4.35Å; Y7-Y181 AromaticContact CD2-CE1 3.93Å; Y7-Y181 HydrophobicContact CD2-CE1 3.93Å; Y7-Y181 AromaticContact CE1-CE1 3.84Å; Y7-Y181 HydrophobicContact CE1-CE1 3.84Å; Y7-Y181 HydrophobicContact CE2-CD1 4.08Å; Y7-Y181 AromaticContact CE2-CE1 3.38Å; Y7-Y181 HydrophobicContact CE2-CE1 3.38Å; Y7-Y181 AromaticContact CE2-CZ 3.85Å; Y7-Y181 HydrophobicContact CG-CE1 4.38Å; Y7-Y181 AromaticContact CZ-CD1 3.85Å; Y7-Y181 AromaticContact CZ-CE1 3.33Å; Y7-Y181 PolarHBondContact O-OH 2.89Å
8Y79.5Confident78.2Confident136 Ų13685.9 Ų85.953%0.53340%0.404SS..Hα-helixtrans-71.9-38.8176.5-68.2-78.7000112.1K3 F5 Q10 H11K3-Y8 HydrophobicContact CB-CE2 3.63Å; K3-Y8 HydrophobicContact CD-CE2 4.42Å; K3-Y8 WeakPolarHBondContact CD-OH 3.3Å; F5-Y8 PolarHBondContact O-N 2.9Å; Y8-Q10 PolarHBondContact O-N 3.29Å; Y8-H11 VanDerWaalsContact O-CB 3.24Å; Y8-H11 WeakPolarHBondContact O-CB 3.33Å; Y8-H11 PolarHBondContact O-N 3.49Å
9F81.5Confident78.7Confident55 Ų5581.5 Ų81.524%0.24138%0.384CS..Hα-helixtrans-66.4-36.6179.8-175.6-108.7000112.9F5 R6 H11 S14 L252 Q256F5-F9 HydrophobicContact CD1-CB 4.49Å; F5-F9 HydrophobicContact CE1-CB 4.2Å; F5-F9 HydrophobicContact CE1-CD2 4.42Å; F5-F9 HydrophobicContact CE1-CG 4.36Å; F5-F9 HydrophobicContact CZ-CD2 4.37Å; F5-F9 WeakPolarHBondContact O-CB 3.3Å; F5-F9 PolarHBondContact O-N 2.9Å; R6-F9 PolarHBondContact O-N 3.22Å; F9-H11 VanDerWaalsContact C-N 3.3Å; F9-S14 PolarHBondContact O-OG 3.47Å; F9-L252 HydrophobicContact CE2-CD2 4.11Å; F9-L252 HydrophobicContact CZ-CD2 3.71Å; F9-Q256 HydrophobicContact CD1-CG 3.88Å; F9-Q256 HydrophobicContact CE1-CG 3.32Å; F9-Q256 HydrophobicContact CE2-CG 4.42Å; F9-Q256 HydrophobicContact CZ-CG 3.64Å; F9-Q256 PolarHBondContact O-NE2 3.29Å
10Q80.1Confident79.3Confident22 Ų2282.3 Ų82.310%0.10338%0.384CS..THydrogen-bonded Turntrans-88.66.7178.5-66.3173.1-8.400113.6R6 Y8 R15R6-Q10 VanDerWaalsContact O-CB 3.3Å; R6-Q10 WeakPolarHBondContact O-CB 3.26Å; R6-Q10 VanDerWaalsContact O-CG 3.3Å; R6-Q10 WeakPolarHBondContact O-CG 3.24Å; R6-Q10 PolarHBondContact O-N 3.37Å; Y8-Q10 PolarHBondContact O-N 3.29Å; Q10-R15 VanDerWaalsContact O-CD 3.29Å; Q10-R15 WeakPolarHBondContact O-CD 3.42Å
11H84.6Confident79.8Confident49 Ų4981.2 Ų81.223%0.22738%0.38CS..  trans-59.6137-178.9-169.4-80.5000110.9Y7 Y8 F9 W13 S14 R15 Y181 W184Y7-H11 PolarHBondContact O-N 2.77Å; Y8-H11 VanDerWaalsContact O-CB 3.24Å; Y8-H11 WeakPolarHBondContact O-CB 3.33Å; Y8-H11 PolarHBondContact O-N 3.49Å; F9-H11 VanDerWaalsContact C-N 3.3Å; H11-W13 VanDerWaalsContact C-N 3.28Å; H11-W13 AromaticContact CE1-CD1 3.31Å; H11-W13 AromaticContact CE1-CG 3.97Å; H11-W13 AromaticContact ND1-CD1 3.71Å; H11-W13 AromaticContact ND1-CG 3.97Å; H11-W13 PolarHBondContact ND1-N 2.88Å; H11-W13 PolarHBondContact O-N 3.4Å; H11-W13 VanDerWaalsContact O-N 3.14Å; H11-S14 WeakPolarHBondContact O-CB 3.29Å; H11-S14 PolarHBondContact O-N 3.16Å; H11-R15 PolarHBondContact O-N 2.94Å; H11-Y181 AromaticContact CD2-CD1 3.9Å; H11-Y181 AromaticContact CD2-CE1 3.72Å; H11-W184 AromaticContact CE1-CD1 3.76Å
12P83.6Confident81.9Confident1 Ų170.4 Ų70.41%0.00633%0.327CS..Hα-helixtrans-51.7-41.5-175.9-31.735.7000114.9R15 M16 M175 Y181 W184P12-R15 PolarHBondContact O-N 2.93Å; P12-M16 WeakPolarHBondContact O-CG 3.39Å; P12-M16 PolarHBondContact O-N 3.49Å; P12-M175 HydrophobicContact CB-CB 4.26Å; P12-M175 HydrophobicContact CB-CG 4.16Å; P12-M175 HydrophobicContact CB-SD 3.87Å; P12-M175 HydrophobicContact CG-SD 4Å; P12-Y181 HydrophobicContact CG-CD2 3.71Å; P12-Y181 HydrophobicContact CG-CE2 4.34Å; P12-Y181 HydrophobicContact CG-CG 3.9Å; P12-W184 HydrophobicContact CB-CD2 3.56Å; P12-W184 VanDerWaalsContact CB-CE2 3.49Å; P12-W184 HydrophobicContact CB-CE3 3.73Å; P12-W184 HydrophobicContact CB-CG 4.2Å; P12-W184 HydrophobicContact CB-CH2 3.8Å; P12-W184 HydrophobicContact CB-CZ2 3.64Å; P12-W184 HydrophobicContact CB-CZ3 3.84Å; P12-W184 HydrophobicContact CG-CD2 3.84Å; P12-W184 HydrophobicContact CG-CE3 3.92Å; P12-W184 HydrophobicContact CG-CG 4.15Å; P12-W184 HydrophobicContact CG-CZ3 4.39Å
13W85.7Confident83.6Confident149 Ų14968.4 Ų68.456%0.56430%0.302SS*.Hα-helixtrans-58.6-46174.2-72.1128.3000113.5H11 R15 M16 I17 W184H11-W13 VanDerWaalsContact C-N 3.28Å; H11-W13 AromaticContact CE1-CD1 3.31Å; H11-W13 AromaticContact CE1-CG 3.97Å; H11-W13 AromaticContact ND1-CD1 3.71Å; H11-W13 AromaticContact ND1-CG 3.97Å; H11-W13 PolarHBondContact ND1-N 2.88Å; H11-W13 PolarHBondContact O-N 3.4Å; H11-W13 VanDerWaalsContact O-N 3.14Å; W13-R15 VanDerWaalsContact C-N 3.29Å; W13-R15 PolarHBondContact O-N 2.89Å; W13-M16 HydrophobicContact CD2-CE 4.23Å; W13-M16 HydrophobicContact CE3-CE 3.43Å; W13-M16 VanDerWaalsContact CE3-CE 3.43Å; W13-M16 HydrophobicContact CH2-CE 4.42Å; W13-M16 HydrophobicContact CZ3-CE 3.55Å; W13-M16 PolarHBondContact O-N 3.16Å; W13-I17 WeakPolarHBondContact O-CB 3.28Å; W13-I17 WeakPolarHBondContact O-CD1 3.15Å; W13-I17 WeakPolarHBondContact O-CG1 3.36Å; W13-I17 PolarHBondContact O-N 2.79Å; W13-W184 AromaticContact CD1-CD1 3.8Å; W13-W184 AromaticContact CD1-NE1 3.39Å; W13-W184 AromaticContact CD2-NE1 3.65Å; W13-W184 AromaticContact CE2-NE1 3.21Å; W13-W184 AromaticContact CG-NE1 3.71Å; W13-W184 AromaticContact CZ2-NE1 3.82Å; W13-W184 AromaticContact NE1-CD1 3.45Å; W13-W184 AromaticContact NE1-NE1 3.01Å
14S86.4Confident84.7Confident35 Ų3567.9 Ų67.925%0.24530%0.3CS..Hα-helixtrans-58.1-46178.5174.30000110.5F9 H11 I17 V18F9-S14 PolarHBondContact O-OG 3.47Å; H11-S14 WeakPolarHBondContact O-CB 3.29Å; H11-S14 PolarHBondContact O-N 3.16Å; S14-I17 PolarHBondContact O-N 3.46Å; S14-V18 VanDerWaalsContact O-CG2 3.29Å; S14-V18 WeakPolarHBondContact O-CG2 3.32Å; S14-V18 PolarHBondContact O-N 3.47Å
15R86.8Confident85.1Confident3 Ų364.4 Ų64.41%0.01128%0.28CS..Hα-helixtrans-68.5-42.9-175.9-59.6-17865.5-176.8-5.6112.8Q10 H11 P12 W13 A19 V171 M175 Q256Q10-R15 VanDerWaalsContact O-CD 3.29Å; Q10-R15 WeakPolarHBondContact O-CD 3.42Å; H11-R15 PolarHBondContact O-N 2.94Å; P12-R15 PolarHBondContact O-N 2.93Å; W13-R15 VanDerWaalsContact C-N 3.29Å; W13-R15 PolarHBondContact O-N 2.89Å; R15-A19 WeakPolarHBondContact O-CB 3.42Å; R15-A19 PolarHBondContact O-N 3.38Å; R15-V171 HydrophobicContact CB-CG1 4.1Å; R15-M175 HydrophobicContact CB-SD 4.48Å; R15-M175 VanDerWaalsContact CZ-CE 3.49Å; R15-Q256 HydrophobicContact CG-CB 4.01Å; R15-Q256 HydrophobicContact CG-CG 4.37Å; R15-Q256 PolarHBondContact NH1-O 3.27Å; R15-Q256 PolarHBondContact NH2-O 3.47Å
16M87.9Confident85.6Confident26 Ų2658 Ų5813%0.12825%0.253CS..Hα-helixtrans-63.6-45.1173.6-68.1-168.5-4500110.6P12 W13 V18 A19 Y20 W184P12-M16 WeakPolarHBondContact O-CG 3.39Å; P12-M16 PolarHBondContact O-N 3.49Å; W13-M16 HydrophobicContact CD2-CE 4.23Å; W13-M16 HydrophobicContact CE3-CE 3.43Å; W13-M16 VanDerWaalsContact CE3-CE 3.43Å; W13-M16 HydrophobicContact CH2-CE 4.42Å; W13-M16 HydrophobicContact CZ3-CE 3.55Å; W13-M16 PolarHBondContact O-N 3.16Å; M16-V18 PolarHBondContact O-N 3.21Å; M16-A19 PolarHBondContact O-N 3.4Å; M16-Y20 HydrophobicContact CB-CD2 4.21Å; M16-Y20 HydrophobicContact CB-CE2 4.26Å; M16-Y20 WeakPolarHBondContact O-CD2 3.39Å; M16-Y20 PolarHBondContact O-N 3.02Å; M16-W184 HydrophobicContact CE-CH2 4.02Å; M16-W184 HydrophobicContact CE-CZ2 3.52Å; M16-W184 HydrophobicContact SD-CH2 3.99Å; M16-W184 HydrophobicContact SD-CZ2 4.12Å
17I89.6Confident85.9Confident93 Ų9350.9 Ų50.948%0.47723%0.227SC..Hα-helixtrans-57-50.3178-72.8164.9000110.6W13 S14 A19 Y20 L21W13-I17 WeakPolarHBondContact O-CB 3.28Å; W13-I17 WeakPolarHBondContact O-CD1 3.15Å; W13-I17 WeakPolarHBondContact O-CG1 3.36Å; W13-I17 PolarHBondContact O-N 2.79Å; S14-I17 PolarHBondContact O-N 3.46Å; I17-A19 PolarHBondContact O-N 3.28Å; I17-Y20 PolarHBondContact O-N 2.87Å; I17-L21 HydrophobicContact CG2-CD1 3.57Å; I17-L21 HydrophobicContact CG2-CG 4.17Å; I17-L21 VanDerWaalsContact O-CB 3.23Å; I17-L21 WeakPolarHBondContact O-CB 3.28Å; I17-L21 WeakPolarHBondContact O-CG 3.38Å; I17-L21 PolarHBondContact O-N 3.35Å
18V89.6Confident86.1Confident11 Ų1149.2 Ų49.27%0.06722%0.223CC..Hα-helixtrans-58-47.8177.7171.20000110.7S14 M16 Y20 L21 V22 F249 L252 I253S14-V18 VanDerWaalsContact O-CG2 3.29Å; S14-V18 WeakPolarHBondContact O-CG2 3.32Å; S14-V18 PolarHBondContact O-N 3.47Å; M16-V18 PolarHBondContact O-N 3.21Å; V18-Y20 PolarHBondContact O-N 3.34Å; V18-L21 PolarHBondContact O-N 3.25Å; V18-V22 WeakPolarHBondContact O-CG2 3.34Å; V18-V22 PolarHBondContact O-N 2.76Å; V18-V22 VanDerWaalsContact O-N 3.14Å; V18-F249 HydrophobicContact CB-CD1 4.32Å; V18-F249 HydrophobicContact CG1-CB 4.49Å; V18-F249 HydrophobicContact CG1-CD1 3.8Å; V18-F249 HydrophobicContact CG2-CD1 4.35Å; V18-F249 HydrophobicContact CG2-CE1 4.38Å; V18-L252 HydrophobicContact CG1-CB 4.03Å; V18-I253 HydrophobicContact CG1-CG1 3.69Å
19A88.6Confident86.2Confident3 Ų344.8 Ų44.83%0.02521%0.209CC..Hα-helixtrans-64.7-41-17800000113.8R15 M16 I17 A168 V171 I253R15-A19 WeakPolarHBondContact O-CB 3.42Å; R15-A19 PolarHBondContact O-N 3.38Å; M16-A19 PolarHBondContact O-N 3.4Å; I17-A19 PolarHBondContact O-N 3.28Å; A19-A168 HydrophobicContact CB-CB 4.15Å; A19-V171 HydrophobicContact CB-CB 4.3Å; A19-V171 HydrophobicContact CB-CG1 4.3Å; A19-V171 HydrophobicContact CB-CG2 4.34Å; A19-I253 HydrophobicContact CB-CD1 4.22Å
20Y90.3Very high85.9Confident97 Ų9743.3 Ų43.338%0.3820%0.202SC..Hα-helixtrans-78.2-26.3177.7-71.5-72.7000112.8M16 I17 V18 I23 F24 A168 T172M16-Y20 HydrophobicContact CB-CD2 4.21Å; M16-Y20 HydrophobicContact CB-CE2 4.26Å; M16-Y20 WeakPolarHBondContact O-CD2 3.39Å; M16-Y20 PolarHBondContact O-N 3.02Å; I17-Y20 PolarHBondContact O-N 2.87Å; V18-Y20 PolarHBondContact O-N 3.34Å; Y20-I23 HydrophobicContact CD1-CD1 3.95Å; Y20-I23 HydrophobicContact CE1-CD1 4.46Å; Y20-I23 PolarHBondContact O-N 3.33Å; Y20-F24 PolarHBondContact O-N 3.34Å; Y20-A168 HydrophobicContact CD1-CB 4.29Å; Y20-A168 HydrophobicContact CE1-CB 4.07Å; Y20-T172 PolarHBondContact OH-OG1 3.14Å
21L89.4Confident85.6Confident60 Ų6042.6 Ų42.631%0.31420%0.2SC..Hα-helixtrans-68-35.8172.8-80.5175000112.4I17 V18 I23 F24 F25 F249I17-L21 HydrophobicContact CG2-CD1 3.57Å; I17-L21 HydrophobicContact CG2-CG 4.17Å; I17-L21 VanDerWaalsContact O-CB 3.23Å; I17-L21 WeakPolarHBondContact O-CB 3.28Å; I17-L21 WeakPolarHBondContact O-CG 3.38Å; I17-L21 PolarHBondContact O-N 3.35Å; V18-L21 PolarHBondContact O-N 3.25Å; L21-I23 VanDerWaalsContact C-N 3.33Å; L21-I23 PolarHBondContact O-N 3.33Å; L21-F24 WeakPolarHBondContact O-CB 3.35Å; L21-F24 PolarHBondContact O-N 3.44Å; L21-F24 VanDerWaalsContact O-N 3.16Å; L21-F25 HydrophobicContact CB-CD2 4.46Å; L21-F25 HydrophobicContact CB-CE2 4.13Å; L21-F25 WeakPolarHBondContact O-CD2 3.48Å; L21-F25 WeakPolarHBondContact O-CG 3.23Å; L21-F25 PolarHBondContact O-N 2.86Å; L21-F249 HydrophobicContact CB-CD1 4.48Å; L21-F249 HydrophobicContact CB-CE1 4.37Å; L21-F249 HydrophobicContact CD1-CE1 3.99Å
22V90.2Very high85Confident3 Ų340.6 Ų40.62%0.01819%0.191CC..Hα-helixtrans-56.6-48.4173.51680000110.9V18 F24 F25 N26 F249 D250 I253V18-V22 WeakPolarHBondContact O-CG2 3.34Å; V18-V22 PolarHBondContact O-N 2.76Å; V18-V22 VanDerWaalsContact O-N 3.14Å; V22-F24 PolarHBondContact O-N 3.23Å; V22-F25 PolarHBondContact O-N 3.4Å; V22-F25 VanDerWaalsContact O-N 3.13Å; V22-N26 WeakPolarHBondContact CG1-ND2 3.28Å; V22-N26 WeakPolarHBondContact O-CB 3.29Å; V22-N26 PolarHBondContact O-N 3.47Å; V22-F249 HydrophobicContact CG2-CB 3.44Å; V22-F249 VanDerWaalsContact CG2-CB 3.44Å; V22-F249 HydrophobicContact CG2-CG 4.43Å; V22-D250 WeakPolarHBondContact CG1-OD1 3.35Å; V22-I253 HydrophobicContact CG2-CD1 3.91Å
23I89.4Confident84.4Confident18 Ų1841.9 Ų41.99%0.09220%0.198CC..Hα-helixtrans-53.6-46.7176.8-65.4168.9000110.3Y20 L21 N26 F27 W161 D164 A168Y20-I23 HydrophobicContact CD1-CD1 3.95Å; Y20-I23 HydrophobicContact CE1-CD1 4.46Å; Y20-I23 PolarHBondContact O-N 3.33Å; L21-I23 VanDerWaalsContact C-N 3.33Å; L21-I23 PolarHBondContact O-N 3.33Å; I23-N26 PolarHBondContact O-N 2.87Å; I23-F27 HydrophobicContact CG2-CD2 3.96Å; I23-F27 HydrophobicContact CG2-CE2 3.73Å; I23-F27 WeakPolarHBondContact O-CD2 3.29Å; I23-F27 PolarHBondContact O-N 3.48Å; I23-F27 VanDerWaalsContact O-N 3.12Å; I23-W161 HydrophobicContact CG2-CE3 4.02Å; I23-W161 HydrophobicContact CG2-CZ3 3.77Å; I23-D164 HydrophobicContact CD1-CB 4.42Å; I23-D164 HydrophobicContact CG1-CB 3.54Å; I23-A168 HydrophobicContact CD1-CB 3.68Å
24F86.4Confident83.3Confident120 Ų12038.8 Ų38.853%0.52620%0.197SC..Hα-helixtrans-62.1-47179.1175.3-100.7000112.2Y20 L21 V22 N26 F27 L28Y20-F24 PolarHBondContact O-N 3.34Å; L21-F24 WeakPolarHBondContact O-CB 3.35Å; L21-F24 PolarHBondContact O-N 3.44Å; L21-F24 VanDerWaalsContact O-N 3.16Å; V22-F24 PolarHBondContact O-N 3.23Å; F24-N26 VanDerWaalsContact C-N 3.33Å; F24-N26 PolarHBondContact O-N 3.46Å; F24-F27 PolarHBondContact O-N 3.27Å; F24-L28 HydrophobicContact CE1-CD2 4.42Å; F24-L28 PolarHBondContact O-N 3.35Å
25F86.9Confident82.2Confident37 Ų3739.9 Ų39.916%0.16220%0.202CC..Hα-helixtrans-65.9-34.7178.3-65.7-47.4000112.7L21 V22 F27 L28 I29 L242 I246 F249L21-F25 HydrophobicContact CB-CD2 4.46Å; L21-F25 HydrophobicContact CB-CE2 4.13Å; L21-F25 WeakPolarHBondContact O-CD2 3.48Å; L21-F25 WeakPolarHBondContact O-CG 3.23Å; L21-F25 PolarHBondContact O-N 2.86Å; V22-F25 PolarHBondContact O-N 3.4Å; V22-F25 VanDerWaalsContact O-N 3.13Å; F25-F27 VanDerWaalsContact C-N 3.33Å; F25-F27 PolarHBondContact O-N 3.4Å; F25-L28 HydrophobicContact CD1-CD2 4.35Å; F25-L28 WeakPolarHBondContact O-CB 3.29Å; F25-L28 PolarHBondContact O-N 3.09Å; F25-L28 VanDerWaalsContact O-N 3.15Å; F25-I29 PolarHBondContact O-N 3.27Å; F25-L242 HydrophobicContact CB-CD1 4.15Å; F25-L242 HydrophobicContact CD1-CD1 3.83Å; F25-L242 HydrophobicContact CG-CD1 4.25Å; F25-I246 HydrophobicContact CB-CD1 4.16Å; F25-I246 HydrophobicContact CB-CG1 3.57Å; F25-F249 HydrophobicContact CE2-CD2 4.36Å; F25-F249 HydrophobicContact CE2-CE1 4.46Å; F25-F249 HydrophobicContact CE2-CE2 4.11Å; F25-F249 HydrophobicContact CE2-CZ 4.17Å
26N87.3Confident80.8Confident28 Ų2839.9 Ų39.915%0.1520%0.202CC..Hα-helixtrans-65.1-33.3174.3-84-34.7000112.8V22 I23 F24 I29 F30 T160 D164 I246V22-N26 WeakPolarHBondContact CG1-ND2 3.28Å; V22-N26 WeakPolarHBondContact O-CB 3.29Å; V22-N26 PolarHBondContact O-N 3.47Å; I23-N26 PolarHBondContact O-N 2.87Å; F24-N26 VanDerWaalsContact C-N 3.33Å; F24-N26 PolarHBondContact O-N 3.46Å; N26-I29 WeakPolarHBondContact O-CG2 3.18Å; N26-F30 PolarHBondContact O-N 3.27Å; N26-T160 HydrophobicContact CB-CG2 3.96Å; N26-D164 WeakPolarHBondContact CB-OD2 3.47Å; N26-D164 VanDerWaalsContact ND2-CG 3.27Å; N26-D164 PolarHBondContact ND2-OD1 3.33Å; N26-D164 PolarHBondContact ND2-OD2 3.35Å; N26-I246 WeakPolarHBondContact OD1-CG2 3.36Å
27F83.2Confident79.6Confident39 Ų3942.3 Ų42.317%0.17121%0.213CC..Hα-helixtrans-74.5-35.6168.9-76.7-65.1000112.9I23 F24 F25 F30 A31 W161 V213 I217I23-F27 HydrophobicContact CG2-CD2 3.96Å; I23-F27 HydrophobicContact CG2-CE2 3.73Å; I23-F27 WeakPolarHBondContact O-CD2 3.29Å; I23-F27 PolarHBondContact O-N 3.48Å; I23-F27 VanDerWaalsContact O-N 3.12Å; F24-F27 PolarHBondContact O-N 3.27Å; F25-F27 VanDerWaalsContact C-N 3.33Å; F25-F27 PolarHBondContact O-N 3.4Å; F27-F30 WeakPolarHBondContact O-CB 3.19Å; F27-F30 PolarHBondContact O-N 3.39Å; F27-A31 WeakPolarHBondContact O-CB 2.91Å; F27-A31 PolarHBondContact O-N 3.16Å; F27-W161 HydrophobicContact CE2-CD2 4.5Å; F27-W161 AromaticContact CE2-CE3 3.52Å; F27-W161 HydrophobicContact CE2-CE3 3.52Å; F27-W161 AromaticContact CE2-CZ3 3.99Å; F27-W161 HydrophobicContact CE2-CZ3 3.99Å; F27-W161 HydrophobicContact CZ-CB 4.06Å; F27-W161 HydrophobicContact CZ-CD2 4.13Å; F27-W161 AromaticContact CZ-CE3 3.57Å; F27-W161 HydrophobicContact CZ-CE3 3.57Å; F27-W161 HydrophobicContact CZ-CG 4.35Å; F27-W161 HydrophobicContact CZ-CZ3 4.35Å; F27-V213 HydrophobicContact CE1-CG1 4.01Å; F27-V213 HydrophobicContact CZ-CG1 3.72Å; F27-V213 HydrophobicContact CZ-CG2 4.15Å; F27-I217 HydrophobicContact CE1-CD1 4.25Å
28L81.6Confident78.7Confident48 Ų4839.5 Ų39.525%0.25120%0.202SC..Hα-helixtrans-64.4-40.4178.6-172.366.3000111.7F24 F25 F30 A31 E32 L242F24-L28 HydrophobicContact CE1-CD2 4.42Å; F24-L28 PolarHBondContact O-N 3.35Å; F25-L28 HydrophobicContact CD1-CD2 4.35Å; F25-L28 WeakPolarHBondContact O-CB 3.29Å; F25-L28 PolarHBondContact O-N 3.09Å; F25-L28 VanDerWaalsContact O-N 3.15Å; L28-F30 VanDerWaalsContact C-N 3.31Å; L28-F30 PolarHBondContact O-N 3.42Å; L28-A31 WeakPolarHBondContact O-CB 3.45Å; L28-A31 PolarHBondContact O-N 3.43Å; L28-E32 WeakPolarHBondContact O-CB 3.44Å; L28-E32 PolarHBondContact O-N 3.09Å; L28-L242 HydrophobicContact CB-CD2 4.11Å; L28-L242 HydrophobicContact CD2-CD1 4.02Å; L28-L242 HydrophobicContact CD2-CD2 4.06Å; L28-L242 HydrophobicContact CG-CD2 3.9Å
29I81.5Confident78Confident43 Ų4343.5 Ų43.522%0.22122%0.22CC..Hα-helixtrans-67.7-34.7177.2-167.3162.9000111.7F25 N26 A31 E32 D33 L242 A243 I246F25-I29 PolarHBondContact O-N 3.27Å; N26-I29 WeakPolarHBondContact O-CG2 3.18Å; I29-A31 VanDerWaalsContact C-N 3.34Å; I29-E32 PolarHBondContact O-N 3.06Å; I29-D33 PolarHBondContact O-N 3.35Å; I29-D33 VanDerWaalsContact O-N 3.08Å; I29-L242 HydrophobicContact CB-CD2 3.64Å; I29-L242 HydrophobicContact CB-CG 4.18Å; I29-L242 HydrophobicContact CG1-CD2 4.23Å; I29-A243 HydrophobicContact CD1-CB 3.81Å; I29-I246 HydrophobicContact CB-CD1 4.04Å; I29-I246 HydrophobicContact CD1-CD1 4.09Å; I29-I246 HydrophobicContact CG2-CD1 3.78Å
30F74.4Confident77.5Confident24 Ų2447.2 Ų47.211%0.10524%0.242CC..Hα-helixtrans-65.4-40173.6-176.3-98.8000112.1N26 F27 L28 E32 M153 K154 A157N26-F30 PolarHBondContact O-N 3.27Å; F27-F30 WeakPolarHBondContact O-CB 3.19Å; F27-F30 PolarHBondContact O-N 3.39Å; L28-F30 VanDerWaalsContact C-N 3.31Å; L28-F30 PolarHBondContact O-N 3.42Å; F30-E32 VanDerWaalsContact C-N 3.28Å; F30-E32 PolarHBondContact O-N 2.76Å; F30-M153 HydrophobicContact CD2-CE 4.07Å; F30-M153 HydrophobicContact CE2-CB 3.89Å; F30-M153 HydrophobicContact CE2-CE 4.12Å; F30-M153 VanDerWaalsContact CE2-O 3.26Å; F30-M153 WeakPolarHBondContact CE2-O 3.44Å; F30-K154 HydrophobicContact CZ-CG 4.44Å; F30-A157 HydrophobicContact CD1-CB 4.42Å; F30-A157 HydrophobicContact CD2-CB 3.62Å; F30-A157 HydrophobicContact CE1-CB 4.38Å; F30-A157 HydrophobicContact CE2-CB 3.56Å; F30-A157 HydrophobicContact CG-CB 4.05Å; F30-A157 HydrophobicContact CZ-CB 3.96Å
31A73.6Confident76.9Confident7 Ų746.9 Ų46.96%0.05824%0.244CC..Hα-helixtrans-67.3-27.5176.400000113.4F27 L28 I29 W224F27-A31 WeakPolarHBondContact O-CB 2.91Å; F27-A31 PolarHBondContact O-N 3.16Å; L28-A31 WeakPolarHBondContact O-CB 3.45Å; L28-A31 PolarHBondContact O-N 3.43Å; I29-A31 VanDerWaalsContact C-N 3.34Å; A31-W224 HydrophobicContact CB-CB 3.79Å; A31-W224 HydrophobicContact CB-CD2 3.61Å; A31-W224 HydrophobicContact CB-CE3 3.29Å; A31-W224 HydrophobicContact CB-CG 3.84Å; A31-W224 HydrophobicContact CB-CZ3 4.03Å
32E72.4Confident76.3Confident8 Ų844 Ų444%0.03723%0.229CC..Hα-helixtrans-87.4-25.9-179.7-168.3179.917900112.9L28 I29 F30 P34 S238 R239L28-E32 WeakPolarHBondContact O-CB 3.44Å; L28-E32 PolarHBondContact O-N 3.09Å; I29-E32 PolarHBondContact O-N 3.06Å; F30-E32 VanDerWaalsContact C-N 3.28Å; F30-E32 PolarHBondContact O-N 2.76Å; E32-P34 VanDerWaalsContact O-CD 3.24Å; E32-P34 WeakPolarHBondContact O-CD 3.22Å; E32-S238 VanDerWaalsContact OE1-CB 3.22Å; E32-S238 WeakPolarHBondContact OE1-CB 3.31Å; E32-S238 PolarHBondContact OE1-OG 3.1Å; E32-R239 HydrophobicContact CB-CG 4.4Å; E32-R239 VanDerWaalsContact CD-CG 3.46Å; E32-R239 HydrophobicContact CG-CG 3.73Å; E32-R239 PolarHBondContact OE1-N 3.04Å
33D70.5Confident75.9Confident27 Ų2747.2 Ų47.214%0.14425%0.246CC..  trans-75.8113.2-174-169.8-2.3000112.5I29 V35 S36I29-D33 PolarHBondContact O-N 3.35Å; I29-D33 VanDerWaalsContact O-N 3.08Å; D33-V35 PolarHBondContact O-N 3.2Å; D33-V35 WeakPolarHBondContact OD1-CB 3.33Å; D33-V35 WeakPolarHBondContact OD1-CG2 3.37Å; D33-V35 PolarHBondContact OD1-N 3.28Å; D33-S36 WeakPolarHBondContact O-CB 3.48Å; D33-S36 PolarHBondContact O-N 2.97Å; D33-S36 PolarHBondContact O-OG 3.43Å
34P62.7Low75.4Confident84 Ų8448.3 Ų48.355%0.54525%0.254SS..G310 helixtrans-67-16.6179.729.2-37000113.4E32 S36 H37E32-P34 VanDerWaalsContact O-CD 3.24Å; E32-P34 WeakPolarHBondContact O-CD 3.22Å; P34-S36 PolarHBondContact O-N 3.35Å; P34-H37 PolarHBondContact O-N 2.77Å
35V63.2Low75.1Confident58 Ų5848.6 Ų48.635%0.35226%0.259SS..G310 helixtrans-64.8-26.6176.7179.80000111.3D33 H37 S38 N149 M153D33-V35 PolarHBondContact O-N 3.2Å; D33-V35 WeakPolarHBondContact OD1-CB 3.33Å; D33-V35 WeakPolarHBondContact OD1-CG2 3.37Å; D33-V35 PolarHBondContact OD1-N 3.28Å; V35-H37 PolarHBondContact O-N 3.49Å; V35-H37 VanDerWaalsContact O-N 3.13Å; V35-S38 WeakPolarHBondContact O-CB 3.35Å; V35-S38 PolarHBondContact O-N 3.44Å; V35-N149 HydrophobicContact CG1-CB 4.09Å; V35-M153 HydrophobicContact CG1-CG 4.16Å
36S57.4Low74.8Confident3 Ų349.2 Ų49.22%0.02127%0.266CS..G310 helixtrans-60.7-20.9177.567.70000113.8D33 P34 E150D33-S36 WeakPolarHBondContact O-CB 3.48Å; D33-S36 PolarHBondContact O-N 2.97Å; D33-S36 PolarHBondContact O-OG 3.43Å; P34-S36 PolarHBondContact O-N 3.35Å; S36-E150 VanDerWaalsContact O-CA 3.28Å; S36-E150 WeakPolarHBondContact O-CA 3.49Å; S36-E150 WeakPolarHBondContact O-CB 3.2Å; S36-E150 WeakPolarHBondContact O-CG 3.37Å
37H63.3Low74.5Confident77 Ų7751 Ų5136%0.35628%0.278SS..G310 helixtrans-106.93.5178.4-62.5-56.5000113.5P34 V35P34-H37 PolarHBondContact O-N 2.77Å; V35-H37 PolarHBondContact O-N 3.49Å; V35-H37 VanDerWaalsContact O-N 3.13Å
38S70.3Confident74.4Confident34 Ų3449.1 Ų49.124%0.23827%0.27CS..  trans-78.7128.3-175.3-167.30000112.3V35 T40 N149 E150V35-S38 WeakPolarHBondContact O-CB 3.35Å; V35-S38 PolarHBondContact O-N 3.44Å; S38-T40 PolarHBondContact O-N 3.09Å; S38-T40 PolarHBondContact OG-N 2.8Å; S38-T40 PolarHBondContact OG-OG1 2.73Å; S38-N149 WeakPolarHBondContact O-CB 3.45Å; S38-E150 PolarHBondContact O-N 2.52Å; S38-E150 VanDerWaalsContact O-N 3.08Å
39Q75.2Confident74.5Confident96 Ų9647.2 Ų47.245%0.44926%0.26SS..  trans-83.3-1.2174.3-60.1-56.8-48.100113.2E150Q39-E150 PolarHBondContact NE2-OE2 3.2Å
40T78.3Confident74.6Confident81 Ų8145.8 Ų45.850%0.49725%0.253SS..SBendtrans-67.2153.2175.957.50000110.8S38 N149S38-T40 PolarHBondContact O-N 3.09Å; S38-T40 PolarHBondContact OG-N 2.8Å; S38-T40 PolarHBondContact OG-OG1 2.73Å; T40-N149 PolarHBondContact O-N 2.83Å; T40-N149 PolarHBondContact O-ND2 3.42Å; T40-N149 PolarHBondContact OG1-ND2 3.26Å
41E77.1Confident75.1Confident90 Ų9048 Ų4842%0.42126%0.263SS..EExtended strand (participates in β ladder)trans-65.8135.1177.6-170174.9-173.800110.5N43 Y144 G146 N149E41-N43 PolarHBondContact O-N 3.02Å; E41-Y144 HydrophobicContact CB-CD1 4.26Å; E41-Y144 HydrophobicContact CG-CD1 4.14Å; E41-Y144 WeakPolarHBondContact OE1-CB 3.21Å; E41-G146 WeakPolarHBondContact OE1-CA 3.23Å; E41-G146 PolarHBondContact OE1-N 3.41Å; E41-N149 PolarHBondContact O-ND2 3.23Å
42A76.8Confident75.5Confident0 Ų047.7 Ų47.70%026%0.26CS..EExtended strand (participates in β ladder)trans-68.5119.1-178.900000111M145 I147 N149 F152A42-M145 HydrophobicContact CB-CE 4.36Å; A42-M145 PolarHBondContact O-N 2.97Å; A42-I147 HydrophobicContact CB-CG1 4.07Å; A42-I147 WeakPolarHBondContact CB-O 3.46Å; A42-I147 PolarHBondContact N-O 3.39Å; A42-N149 WeakPolarHBondContact CA-OD1 3.17Å; A42-N149 WeakPolarHBondContact CB-OD1 3.47Å; A42-F152 HydrophobicContact CB-CB 3.92Å; A42-F152 HydrophobicContact CB-CG 4.25Å
43N82.3Confident76.1Confident70 Ų7047.3 Ų47.337%0.37426%0.258SS..EExtended strand (participates in β ladder)trans-113107.2173.4-175.7-31000108.2E41 D143 Y144E41-N43 PolarHBondContact O-N 3.02Å; N43-D143 WeakPolarHBondContact OD1-CB 3.45Å; N43-Y144 HydrophobicContact CB-CD1 4.06Å; N43-Y144 HydrophobicContact CB-CE1 3.96Å
44V79.1Confident76.8Confident41 Ų4148.1 Ų48.125%0.24826%0.264CS..  trans-125.2114172.2-175.70000107V46 V47 G48 D143 M145 F152V44-V46 PolarHBondContact O-N 3.03Å; V44-V47 HydrophobicContact CB-CB 4.17Å; V44-V47 HydrophobicContact CG1-CB 3.8Å; V44-V47 HydrophobicContact CG1-CG2 3.99Å; V44-V47 PolarHBondContact O-N 2.85Å; V44-G48 WeakPolarHBondContact O-CA 3.5Å; V44-G48 PolarHBondContact O-N 3.37Å; V44-D143 PolarHBondContact N-O 3.48Å; V44-M145 HydrophobicContact CB-CE 3.64Å; V44-M145 HydrophobicContact CG2-CE 3.46Å; V44-M145 VanDerWaalsContact CG2-CE 3.46Å; V44-F152 HydrophobicContact CG2-CD1 4.29Å; V44-F152 HydrophobicContact CG2-CE1 3.65Å; V44-F152 HydrophobicContact CG2-CE2 4.48Å; V44-F152 HydrophobicContact CG2-CZ 3.76Å
45I79.8Confident77.7Confident126 Ų12647 Ų4765%0.64626%0.256SS*.THydrogen-bonded Turntrans-54.1138.1179.7-50176.2000108.9V47I45-V47 PolarHBondContact O-N 3.04Å
46V80.3Confident78.5Confident50 Ų5046.8 Ų46.830%0.30325%0.253SS..THydrogen-bonded Turntrans70.7-59.1-174.9-174.80000113.8V44 G48 N49 C50 I116 F120 D143V44-V46 PolarHBondContact O-N 3.03Å; V46-G48 VanDerWaalsContact C-N 3.3Å; V46-G48 PolarHBondContact O-N 3.31Å; V46-N49 WeakPolarHBondContact O-CB 3.11Å; V46-N49 PolarHBondContact O-N 3.5Å; V46-C50 PolarHBondContact O-N 2.98Å; V46-C50 PolarHBondContact O-SG 3.42Å; V46-C50 VanDerWaalsContact O-SG 3.36Å; V46-I116 HydrophobicContact CG1-CG2 4.28Å; V46-F120 HydrophobicContact CB-CD2 4Å; V46-F120 HydrophobicContact CB-CE2 4.11Å; V46-F120 HydrophobicContact CG1-CB 4.03Å; V46-F120 HydrophobicContact CG1-CD2 3.68Å; V46-F120 HydrophobicContact CG1-CE2 4.26Å; V46-F120 HydrophobicContact CG1-CG 3.93Å; V46-F120 HydrophobicContact CG2-CD2 4.12Å; V46-F120 HydrophobicContact CG2-CE2 3.84Å; V46-F120 HydrophobicContact CG2-CZ 4.19Å; V46-D143 PolarHBondContact N-OD1 3.37Å
47V81.9Confident79.5Confident65 Ų6549.7 Ų49.739%0.39427%0.265SS..Hα-helixtrans-63.2-39.9-175.41790000110.8V44 I45 C50 F51 M145V44-V47 HydrophobicContact CB-CB 4.17Å; V44-V47 HydrophobicContact CG1-CB 3.8Å; V44-V47 HydrophobicContact CG1-CG2 3.99Å; V44-V47 PolarHBondContact O-N 2.85Å; I45-V47 PolarHBondContact O-N 3.04Å; V47-C50 PolarHBondContact O-N 3.31Å; V47-F51 WeakPolarHBondContact O-CB 3.34Å; V47-F51 PolarHBondContact O-N 3.14Å; V47-M145 HydrophobicContact CG1-CE 4.26Å
48G80.6Confident80.3Confident0 Ų049.5 Ų49.50%026%0.262CS..Hα-helixtrans-66.4-38.5177.900000113.5V44 V46 F51 S52 D143 M145V44-G48 WeakPolarHBondContact O-CA 3.5Å; V44-G48 PolarHBondContact O-N 3.37Å; V46-G48 VanDerWaalsContact C-N 3.3Å; V46-G48 PolarHBondContact O-N 3.31Å; G48-F51 PolarHBondContact O-N 3.4Å; G48-S52 VanDerWaalsContact O-CB 3.23Å; G48-S52 WeakPolarHBondContact O-CB 3.32Å; G48-S52 PolarHBondContact O-N 2.9Å; G48-D143 WeakPolarHBondContact CA-O 3.45Å; G48-M145 VanDerWaalsContact CA-CG 3.43Å
49N84.5Confident80.8Confident8 Ų847.9 Ų47.94%0.04325%0.25CS..Hα-helixtrans-61.4-47.9170.6-84.1-11.9000111.6V46 F51 F53 F120 H124 I141 T142 D143V46-N49 WeakPolarHBondContact O-CB 3.11Å; V46-N49 PolarHBondContact O-N 3.5Å; N49-F51 PolarHBondContact O-N 2.93Å; N49-F53 WeakPolarHBondContact O-CB 3.42Å; N49-F53 PolarHBondContact O-N 2.92Å; N49-F120 HydrophobicContact CB-CD2 3.99Å; N49-F120 HydrophobicContact CB-CE2 4.23Å; N49-F120 WeakPolarHBondContact ND2-CE2 3.36Å; N49-H124 PolarHBondContact ND2-CE1 3.1Å; N49-I141 HydrophobicContact CB-CG2 4.28Å; N49-I141 VanDerWaalsContact O-CG2 3.31Å; N49-I141 WeakPolarHBondContact O-CG2 3.4Å; N49-T142 WeakPolarHBondContact OD1-CA 3.48Å; N49-T142 PolarHBondContact OD1-N 3.3Å; N49-T142 PolarHBondContact OD1-O 2.92Å; N49-T142 VanDerWaalsContact OD1-O 3.07Å; N49-D143 VanDerWaalsContact CG-OD1 3.28Å; N49-D143 PolarHBondContact ND2-OD1 2.73Å; N49-D143 PolarHBondContact OD1-N 3.35Å; N49-D143 PolarHBondContact OD1-OD1 3.48Å
50C83.8Confident80.8Confident12 Ų1253.2 Ų53.28%0.08127%0.266CS..Hα-helixtrans-61.3-45.9178.3-670000111.8V46 V47 F53 V54 I116 L119 F120V46-C50 PolarHBondContact O-N 2.98Å; V46-C50 PolarHBondContact O-SG 3.42Å; V46-C50 VanDerWaalsContact O-SG 3.36Å; V47-C50 PolarHBondContact O-N 3.31Å; C50-F53 WeakPolarHBondContact O-CB 3.27Å; C50-F53 PolarHBondContact O-N 3.35Å; C50-V54 WeakPolarHBondContact O-CG2 3.31Å; C50-V54 PolarHBondContact O-N 3.5Å; C50-V54 VanDerWaalsContact O-N 3.14Å; C50-I116 PolarHBondContact SG-O 3.09Å; C50-L119 HydrophobicContact CB-CB 4.24Å; C50-F120 PolarHBondContact SG-N 3.27Å
51F84.4Confident81Confident71 Ų7151 Ų5131%0.31126%0.26SS..Hα-helixtrans-65.3-50.6179.1-174.2-94000110.9V47 G48 N49 F53 V54 T55 M145 I147V47-F51 WeakPolarHBondContact O-CB 3.34Å; V47-F51 PolarHBondContact O-N 3.14Å; G48-F51 PolarHBondContact O-N 3.4Å; N49-F51 PolarHBondContact O-N 2.93Å; F51-F53 PolarHBondContact O-N 2.88Å; F51-V54 PolarHBondContact O-N 2.91Å; F51-T55 WeakPolarHBondContact CD1-OG1 3.44Å; F51-T55 HydrophobicContact CD2-CG2 4.13Å; F51-T55 HydrophobicContact CE1-CG2 4.44Å; F51-T55 WeakPolarHBondContact CE1-OG1 3.23Å; F51-T55 HydrophobicContact CE2-CG2 3.83Å; F51-T55 HydrophobicContact CZ-CG2 4Å; F51-T55 WeakPolarHBondContact CZ-OG1 3.33Å; F51-T55 PolarHBondContact O-N 3.43Å; F51-T55 PolarHBondContact O-OG1 3.44Å; F51-M145 HydrophobicContact CB-CG 3.88Å; F51-M145 HydrophobicContact CB-SD 4.03Å; F51-M145 HydrophobicContact CD1-CB 3.87Å; F51-M145 HydrophobicContact CD1-CG 3.78Å; F51-M145 WeakPolarHBondContact CD1-O 3.36Å; F51-M145 HydrophobicContact CD1-SD 4.16Å; F51-M145 HydrophobicContact CE1-CB 4.39Å; F51-M145 WeakPolarHBondContact CE1-O 3.39Å; F51-M145 HydrophobicContact CG-CG 4.04Å; F51-M145 HydrophobicContact CG-SD 4.03Å; F51-I147 HydrophobicContact CE1-CG2 4.01Å; F51-I147 HydrophobicContact CZ-CG2 4.26Å
52S82.7Confident81.3Confident0 Ų051.6 Ų51.60%027%0.269CS..Hα-helixtrans-63.7-24177.6179.80000113G48 N56 K57 K68G48-S52 VanDerWaalsContact O-CB 3.23Å; G48-S52 WeakPolarHBondContact O-CB 3.32Å; G48-S52 PolarHBondContact O-N 2.9Å; S52-N56 CarbonylContact O-C 3.54Å; S52-N56 VanDerWaalsContact O-O 3.04Å; S52-K57 WeakPolarHBondContact OG-CD 3.41Å; S52-K68 PolarHBondContact O-NZ 3.46Å; S52-K68 VanDerWaalsContact O-NZ 3.1Å
53F84.9Confident81.8Confident0 Ų054.1 Ų54.10%030%0.295CS..Hα-helixtrans-72.4-34.7171.9-174.8-142.1000112.6N49 C50 F51 K68 L71 W72 L119 F122 Y126 I141N49-F53 WeakPolarHBondContact O-CB 3.42Å; N49-F53 PolarHBondContact O-N 2.92Å; C50-F53 WeakPolarHBondContact O-CB 3.27Å; C50-F53 PolarHBondContact O-N 3.35Å; F51-F53 PolarHBondContact O-N 2.88Å; F53-K68 HydrophobicContact CD2-CG 4.25Å; F53-K68 HydrophobicContact CE2-CG 4.13Å; F53-K68 WeakPolarHBondContact O-CE 3.35Å; F53-L71 HydrophobicContact CE2-CB 4.42Å; F53-L71 HydrophobicContact CZ-CB 3.77Å; F53-W72 HydrophobicContact CD1-CB 3.79Å; F53-W72 HydrophobicContact CE1-CB 3.44Å; F53-W72 VanDerWaalsContact CE1-CB 3.44Å; F53-W72 HydrophobicContact CE2-CB 4.46Å; F53-W72 HydrophobicContact CG-CB 4.44Å; F53-W72 HydrophobicContact CZ-CB 3.84Å; F53-L119 HydrophobicContact CD1-CD2 4.01Å; F53-L119 HydrophobicContact CE1-CD2 4.26Å; F53-F122 HydrophobicContact CE1-CB 3.88Å; F53-F122 HydrophobicContact CZ-CB 4.23Å; F53-Y126 HydrophobicContact CD2-CD1 4.38Å; F53-Y126 HydrophobicContact CE2-CD1 4.17Å; F53-Y126 HydrophobicContact CE2-CD2 4.46Å; F53-Y126 AromaticContact CE2-CG 3.9Å; F53-Y126 HydrophobicContact CE2-CG 3.9Å; F53-I141 HydrophobicContact CB-CD1 3.77Å; F53-I141 HydrophobicContact CB-CG2 4.43Å; F53-I141 HydrophobicContact CD2-CD1 3.26Å; F53-I141 HydrophobicContact CE2-CD1 4.11Å; F53-I141 HydrophobicContact CG-CD1 3.84Å
54V84.9Confident81.9Confident44 Ų4453.7 Ų53.727%0.26729%0.288SS..Hα-helixtrans-90.5-41.7-177.1176.40000112.1C50 F51 Y58 W72 L119C50-V54 WeakPolarHBondContact O-CG2 3.31Å; C50-V54 PolarHBondContact O-N 3.5Å; C50-V54 VanDerWaalsContact O-N 3.14Å; F51-V54 PolarHBondContact O-N 2.91Å; V54-Y58 WeakPolarHBondContact O-CE2 3.22Å; V54-Y58 PolarHBondContact O-OH 3.23Å; V54-W72 HydrophobicContact CG2-CB 4.26Å; V54-W72 HydrophobicContact CG2-CG 4.36Å; V54-L119 HydrophobicContact CG2-CD2 4.04Å
55T81.3Confident82.2Confident60 Ų6057.2 Ų57.237%0.36830%0.297SS..THydrogen-bonded Turntrans-110.5-32.3-164.462.60000114.2F51F51-T55 WeakPolarHBondContact CD1-OG1 3.44Å; F51-T55 HydrophobicContact CD2-CG2 4.13Å; F51-T55 HydrophobicContact CE1-CG2 4.44Å; F51-T55 WeakPolarHBondContact CE1-OG1 3.23Å; F51-T55 HydrophobicContact CE2-CG2 3.83Å; F51-T55 HydrophobicContact CZ-CG2 4Å; F51-T55 WeakPolarHBondContact CZ-OG1 3.33Å; F51-T55 PolarHBondContact O-N 3.43Å; F51-T55 PolarHBondContact O-OG1 3.44Å
56N80.3Confident82.6Confident54 Ų5456.3 Ų56.329%0.28929%0.292SS..SBendtrans-115.7-179.1-170.4-85.5-30.8000113.7S52 Y58 K68 M145S52-N56 CarbonylContact O-C 3.54Å; S52-N56 VanDerWaalsContact O-O 3.04Å; N56-Y58 VanDerWaalsContact C-N 3.34Å; N56-Y58 WeakPolarHBondContact O-CD2 3.46Å; N56-Y58 PolarHBondContact O-N 2.91Å; N56-K68 PolarHBondContact O-NZ 2.6Å; N56-M145 PolarHBondContact ND2-O 3.08Å
57K78.4Confident83Confident65 Ų6556.7 Ų56.728%0.28329%0.292SS..  trans48.548.9172.8-58.4-172.8177.9-175.50113.8S52 P59 K68 I140 T142S52-K57 WeakPolarHBondContact OG-CD 3.41Å; K57-P59 WeakPolarHBondContact O-CD 3.45Å; K57-K68 PolarHBondContact O-NZ 3.44Å; K57-I140 VanDerWaalsContact CD-O 3.23Å; K57-I140 WeakPolarHBondContact CD-O 3.32Å; K57-I140 PolarHBondContact NZ-O 3.3Å; K57-T142 PolarHBondContact NZ-OG1 2.84Å
58Y79.2Confident83.3Confident73 Ų7353.6 Ų53.629%0.28627%0.274SS..  trans-80.6120.8174.4-82.7-91.7000110.1V54 N56 R65 K68 V69 W72V54-Y58 WeakPolarHBondContact O-CE2 3.22Å; V54-Y58 PolarHBondContact O-OH 3.23Å; N56-Y58 VanDerWaalsContact C-N 3.34Å; N56-Y58 WeakPolarHBondContact O-CD2 3.46Å; N56-Y58 PolarHBondContact O-N 2.91Å; Y58-R65 HydrophobicContact CD1-CB 4.35Å; Y58-R65 HydrophobicContact CD1-CG 4.21Å; Y58-K68 HydrophobicContact CD1-CD 4.06Å; Y58-K68 HydrophobicContact CE1-CB 4.5Å; Y58-K68 HydrophobicContact CE1-CD 3.98Å; Y58-K68 HydrophobicContact CE1-CG 4.26Å; Y58-V69 HydrophobicContact CE1-CG2 4.04Å; Y58-W72 PolarHBondContact OH-NE1 3.16Å
59P80.7Confident83.8Confident0 Ų056 Ų560%029%0.288CS..  trans-63.8155.7178.622.2-30.6000112.3K57 G61 W64 R65 Y139K57-P59 WeakPolarHBondContact O-CD 3.45Å; P59-G61 PolarHBondContact O-N 3.16Å; P59-W64 HydrophobicContact CB-CB 3.87Å; P59-W64 HydrophobicContact CG-CB 3.29Å; P59-W64 HydrophobicContact CG-CG 4.28Å; P59-R65 VanDerWaalsContact O-CG 3.25Å; P59-R65 WeakPolarHBondContact O-CG 3.3Å; P59-R65 PolarHBondContact O-NE 3.36Å; P59-Y139 HydrophobicContact CB-CD1 4.15Å; P59-Y139 HydrophobicContact CB-CD2 4.14Å; P59-Y139 HydrophobicContact CB-CE1 4.36Å; P59-Y139 HydrophobicContact CB-CE2 4.33Å; P59-Y139 HydrophobicContact CB-CG 4.04Å
60R76.5Confident84.1Confident208 Ų20859.7 Ų59.779%0.78531%0.308SS*.SBendtrans-68.5-32-177-73.7178.7178.7144.4-1113.3
61G82.1Confident84.4Confident35 Ų3559.9 Ų59.936%0.36131%0.308SS..SBendtrans-70.4131.3179.200000112.8P59 G63 W64 R65P59-G61 PolarHBondContact O-N 3.16Å; G61-G63 VanDerWaalsContact C-N 3.32Å; G61-G63 PolarHBondContact O-N 3.01Å; G61-W64 PolarHBondContact O-N 2.99Å; G61-R65 PolarHBondContact O-N 3.44Å
62V83.9Confident84.8Confident102 Ų10258.8 Ų58.862%0.61830%0.301SS*.Hα-helixtrans-58.6-42.4-178.9178.60000111.8W64 R65 I66V62-W64 VanDerWaalsContact C-N 3.32Å; V62-W64 PolarHBondContact O-N 3.46Å; V62-R65 PolarHBondContact O-N 3.14Å; V62-I66 HydrophobicContact CG1-CD1 3.97Å; V62-I66 WeakPolarHBondContact O-CG1 3.43Å; V62-I66 PolarHBondContact O-N 3Å
63G85.6Confident85.3Confident52 Ų5263 Ų6354%0.53632%0.323SS..Hα-helixtrans-59.4-41178.400000113.1G61 R65 I66 L67G61-G63 VanDerWaalsContact C-N 3.32Å; G61-G63 PolarHBondContact O-N 3.01Å; G63-R65 PolarHBondContact O-N 2.99Å; G63-I66 PolarHBondContact O-N 3.26Å; G63-L67 WeakPolarHBondContact O-CB 3.4Å; G63-L67 PolarHBondContact O-N 2.87Å
64W84.3Confident85.7Confident61 Ų6166.4 Ų66.423%0.23134%0.342CS..Hα-helixtrans-70.5-31.1178.8-71107.2000113.5P59 G61 V62 L67 K68 I129 L130 D133P59-W64 HydrophobicContact CB-CB 3.87Å; P59-W64 HydrophobicContact CG-CB 3.29Å; P59-W64 HydrophobicContact CG-CG 4.28Å; G61-W64 PolarHBondContact O-N 2.99Å; V62-W64 VanDerWaalsContact C-N 3.32Å; V62-W64 PolarHBondContact O-N 3.46Å; W64-L67 HydrophobicContact CE3-CD2 3.81Å; W64-L67 HydrophobicContact CZ3-CD2 3.77Å; W64-K68 WeakPolarHBondContact O-CB 3.47Å; W64-K68 PolarHBondContact O-N 3.2Å; W64-I129 HydrophobicContact CH2-CG2 4.17Å; W64-I129 HydrophobicContact CZ3-CG2 3.91Å; W64-L130 HydrophobicContact CD2-CD2 4.39Å; W64-L130 HydrophobicContact CE3-CD2 3.71Å; W64-L130 HydrophobicContact CH2-CD2 4.17Å; W64-L130 HydrophobicContact CZ3-CD2 3.59Å; W64-D133 HydrophobicContact CH2-CB 4.25Å; W64-D133 HydrophobicContact CZ2-CB 4.11Å; W64-D133 WeakPolarHBondContact CZ2-OD2 3.24Å
65R86.4Confident86Confident116 Ų11664.3 Ų64.344%0.43833%0.329SS..Hα-helixtrans-66.9-45.1172-63.2-178.6-173176.10.6111Y58 P59 G61 V62 G63 L67 K68 V69Y58-R65 HydrophobicContact CD1-CB 4.35Å; Y58-R65 HydrophobicContact CD1-CG 4.21Å; P59-R65 VanDerWaalsContact O-CG 3.25Å; P59-R65 WeakPolarHBondContact O-CG 3.3Å; P59-R65 PolarHBondContact O-NE 3.36Å; G61-R65 PolarHBondContact O-N 3.44Å; V62-R65 PolarHBondContact O-N 3.14Å; G63-R65 PolarHBondContact O-N 2.99Å; R65-L67 VanDerWaalsContact C-N 3.34Å; R65-K68 PolarHBondContact O-N 3.21Å; R65-V69 WeakPolarHBondContact O-CG2 3.37Å; R65-V69 PolarHBondContact O-N 3.41Å
66I88.5Confident86.6Confident107 Ų10764 Ų6455%0.54932%0.324SS..Hα-helixtrans-61.4-46177.2-66.1169.4000110V62 G63 K68 V69 L70V62-I66 HydrophobicContact CG1-CD1 3.97Å; V62-I66 WeakPolarHBondContact O-CG1 3.43Å; V62-I66 PolarHBondContact O-N 3Å; G63-I66 PolarHBondContact O-N 3.26Å; I66-K68 PolarHBondContact O-N 2.89Å; I66-V69 PolarHBondContact O-N 2.88Å; I66-L70 WeakPolarHBondContact O-CB 3.49Å; I66-L70 PolarHBondContact O-N 2.91Å
67L87.9Confident87.3Confident57 Ų5766 Ų6630%0.29833%0.334SS..Hα-helixtrans-58.4-47.3177.3179.763.9000111.6G63 W64 R65 V69 L70 L71 I129G63-L67 WeakPolarHBondContact O-CB 3.4Å; G63-L67 PolarHBondContact O-N 2.87Å; W64-L67 HydrophobicContact CE3-CD2 3.81Å; W64-L67 HydrophobicContact CZ3-CD2 3.77Å; R65-L67 VanDerWaalsContact C-N 3.34Å; L67-V69 PolarHBondContact O-N 3.47Å; L67-L70 PolarHBondContact O-N 2.87Å; L67-L71 HydrophobicContact CD1-CD1 3.96Å; L67-L71 HydrophobicContact CD1-CG 4.15Å; L67-L71 HydrophobicContact CG-CD1 3.85Å; L67-L71 HydrophobicContact CG-CG 4.43Å; L67-L71 WeakPolarHBondContact O-CB 3.49Å; L67-L71 VanDerWaalsContact O-CG 3.27Å; L67-L71 WeakPolarHBondContact O-CG 3.21Å; L67-L71 PolarHBondContact O-N 3.14Å; L67-I129 HydrophobicContact CD2-CG2 4.3Å
68K88.1Confident88Confident0 Ų065.1 Ų65.10%034%0.335CS..Hα-helixtrans-59.4-46.7178-174169.3179167.20111.4S52 F53 N56 K57 Y58 W64 R65 I66 L71 W72 Y126S52-K68 PolarHBondContact O-NZ 3.46Å; S52-K68 VanDerWaalsContact O-NZ 3.1Å; F53-K68 HydrophobicContact CD2-CG 4.25Å; F53-K68 HydrophobicContact CE2-CG 4.13Å; F53-K68 WeakPolarHBondContact O-CE 3.35Å; N56-K68 PolarHBondContact O-NZ 2.6Å; K57-K68 PolarHBondContact O-NZ 3.44Å; Y58-K68 HydrophobicContact CD1-CD 4.06Å; Y58-K68 HydrophobicContact CE1-CB 4.5Å; Y58-K68 HydrophobicContact CE1-CD 3.98Å; Y58-K68 HydrophobicContact CE1-CG 4.26Å; W64-K68 WeakPolarHBondContact O-CB 3.47Å; W64-K68 PolarHBondContact O-N 3.2Å; R65-K68 PolarHBondContact O-N 3.21Å; I66-K68 PolarHBondContact O-N 2.89Å; K68-L71 PolarHBondContact O-N 3.3Å; K68-W72 PolarHBondContact O-N 2.99Å; K68-Y126 HydrophobicContact CB-CE2 3.99Å; K68-Y126 HydrophobicContact CD-CE1 4.11Å; K68-Y126 HydrophobicContact CG-CE1 4.4Å; K68-Y126 HydrophobicContact CG-CE2 4.39Å
69V90.6Very high88.6Confident50 Ų5061.7 Ų61.730%0.30332%0.321SS..Hα-helixtrans-60.3-46.1177.3172.90000112.3Y58 R65 I66 L67 L71 W72 L73Y58-V69 HydrophobicContact CE1-CG2 4.04Å; R65-V69 WeakPolarHBondContact O-CG2 3.37Å; R65-V69 PolarHBondContact O-N 3.41Å; I66-V69 PolarHBondContact O-N 2.88Å; L67-V69 PolarHBondContact O-N 3.47Å; V69-L71 VanDerWaalsContact C-N 3.33Å; V69-L71 PolarHBondContact O-N 3.3Å; V69-W72 VanDerWaalsContact CA-NE1 3.35Å; V69-W72 HydrophobicContact CG1-CZ2 3.94Å; V69-W72 HydrophobicContact CG2-CZ2 4.43Å; V69-L73 HydrophobicContact CG1-CD1 3.8Å; V69-L73 HydrophobicContact CG1-CG 4.44Å; V69-L73 WeakPolarHBondContact O-CB 3.19Å; V69-L73 VanDerWaalsContact O-CG 3.29Å; V69-L73 WeakPolarHBondContact O-CG 3.24Å; V69-L73 PolarHBondContact O-N 2.94Å
70L92.3Very high89.2Confident87 Ų8765.1 Ų65.146%0.45534%0.339SS..Hα-helixtrans-61.3-43.9177.6-174.4150.4000111.2I66 L67 L73 L74I66-L70 WeakPolarHBondContact O-CB 3.49Å; I66-L70 PolarHBondContact O-N 2.91Å; L67-L70 PolarHBondContact O-N 2.87Å; L70-L73 PolarHBondContact O-N 3.12Å; L70-L74 HydrophobicContact CD2-CD1 3.48Å; L70-L74 VanDerWaalsContact CD2-CD1 3.48Å; L70-L74 HydrophobicContact CD2-CG 4.11Å; L70-L74 HydrophobicContact CG-CD1 4.46Å; L70-L74 WeakPolarHBondContact O-CB 3.42Å; L70-L74 VanDerWaalsContact O-CG 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.42Å; L70-L74 PolarHBondContact O-N 3.14Å
71L90.2Very high90Very high16 Ų1659.3 Ų59.38%0.08432%0.323CS..Hα-helixtrans-68.2-42.2-177.9-72.3169.4000112.9F53 L67 K68 V69 L74 A75 F122 Y126 I129F53-L71 HydrophobicContact CE2-CB 4.42Å; F53-L71 HydrophobicContact CZ-CB 3.77Å; L67-L71 HydrophobicContact CD1-CD1 3.96Å; L67-L71 HydrophobicContact CD1-CG 4.15Å; L67-L71 HydrophobicContact CG-CD1 3.85Å; L67-L71 HydrophobicContact CG-CG 4.43Å; L67-L71 WeakPolarHBondContact O-CB 3.49Å; L67-L71 VanDerWaalsContact O-CG 3.27Å; L67-L71 WeakPolarHBondContact O-CG 3.21Å; L67-L71 PolarHBondContact O-N 3.14Å; K68-L71 PolarHBondContact O-N 3.3Å; V69-L71 VanDerWaalsContact C-N 3.33Å; V69-L71 PolarHBondContact O-N 3.3Å; L71-L74 PolarHBondContact O-N 3.36Å; L71-A75 WeakPolarHBondContact O-CB 3.35Å; L71-A75 PolarHBondContact O-N 3.31Å; L71-F122 HydrophobicContact CB-CD1 4.37Å; L71-F122 HydrophobicContact CD2-CD1 4.09Å; L71-F122 HydrophobicContact CD2-CE1 4.21Å; L71-F122 WeakPolarHBondContact O-CD1 3.39Å; L71-Y126 HydrophobicContact CD1-CD2 3.56Å; L71-Y126 HydrophobicContact CD1-CE2 4.42Å; L71-Y126 HydrophobicContact CD1-CG 4.33Å; L71-I129 HydrophobicContact CD1-CD1 4.33Å
72W92.5Very high90.5Very high47 Ų4758 Ų5818%0.17831%0.308CS..Hα-helixtrans-72.3-31.3177.169.9-115.7000112.3F53 V54 Y58 K68 V69 A75 I76 L119F53-W72 HydrophobicContact CD1-CB 3.79Å; F53-W72 HydrophobicContact CE1-CB 3.44Å; F53-W72 VanDerWaalsContact CE1-CB 3.44Å; F53-W72 HydrophobicContact CE2-CB 4.46Å; F53-W72 HydrophobicContact CG-CB 4.44Å; F53-W72 HydrophobicContact CZ-CB 3.84Å; V54-W72 HydrophobicContact CG2-CB 4.26Å; V54-W72 HydrophobicContact CG2-CG 4.36Å; Y58-W72 PolarHBondContact OH-NE1 3.16Å; K68-W72 PolarHBondContact O-N 2.99Å; V69-W72 VanDerWaalsContact CA-NE1 3.35Å; V69-W72 HydrophobicContact CG1-CZ2 3.94Å; V69-W72 HydrophobicContact CG2-CZ2 4.43Å; W72-A75 WeakPolarHBondContact O-CB 3.39Å; W72-A75 PolarHBondContact O-N 3.04Å; W72-I76 HydrophobicContact CE3-CD1 3.63Å; W72-I76 HydrophobicContact CZ3-CD1 3.78Å; W72-I76 WeakPolarHBondContact O-CG1 3.44Å; W72-I76 PolarHBondContact O-N 3.08Å; W72-L119 HydrophobicContact CB-CD2 4.06Å
73L92.6Very high90.7Very high88 Ų8853.1 Ų53.146%0.46128%0.279SS..Hα-helixtrans-65-43.8171.2-76.2171.3000112V69 L70 A75 I76 L77V69-L73 HydrophobicContact CG1-CD1 3.8Å; V69-L73 HydrophobicContact CG1-CG 4.44Å; V69-L73 WeakPolarHBondContact O-CB 3.19Å; V69-L73 VanDerWaalsContact O-CG 3.29Å; V69-L73 WeakPolarHBondContact O-CG 3.24Å; V69-L73 PolarHBondContact O-N 2.94Å; L70-L73 PolarHBondContact O-N 3.12Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 PolarHBondContact O-N 3.46Å; L73-I76 PolarHBondContact O-N 3.47Å; L73-L77 PolarHBondContact O-N 3.05Å
74L92.9Very high90.9Very high73 Ų7354.2 Ų54.238%0.38227%0.269SS..Hα-helixtrans-62.8-39.7174.3-75.3-178.2000111.6L70 L71 I76 L77 T78 F122L70-L74 HydrophobicContact CD2-CD1 3.48Å; L70-L74 VanDerWaalsContact CD2-CD1 3.48Å; L70-L74 HydrophobicContact CD2-CG 4.11Å; L70-L74 HydrophobicContact CG-CD1 4.46Å; L70-L74 WeakPolarHBondContact O-CB 3.42Å; L70-L74 VanDerWaalsContact O-CG 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.42Å; L70-L74 PolarHBondContact O-N 3.14Å; L71-L74 PolarHBondContact O-N 3.36Å; L74-I76 VanDerWaalsContact C-N 3.34Å; L74-I76 PolarHBondContact O-N 3.3Å; L74-L77 PolarHBondContact O-N 2.9Å; L74-T78 WeakPolarHBondContact O-CB 3.43Å; L74-T78 VanDerWaalsContact O-CG2 3.28Å; L74-T78 WeakPolarHBondContact O-CG2 3.48Å; L74-T78 PolarHBondContact O-N 2.89Å; L74-T78 PolarHBondContact O-OG1 3.15Å; L74-F122 HydrophobicContact CB-CE1 4.11Å
75A92.6Very high91.1Very high0 Ų056.4 Ų56.40%028%0.28CS..Hα-helixtrans-61-42.4175.200000111.9L71 W72 L73 T78 G79 F118 L119 F122L71-A75 WeakPolarHBondContact O-CB 3.35Å; L71-A75 PolarHBondContact O-N 3.31Å; W72-A75 WeakPolarHBondContact O-CB 3.39Å; W72-A75 PolarHBondContact O-N 3.04Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 PolarHBondContact O-N 3.46Å; A75-T78 WeakPolarHBondContact CA-OG1 3.36Å; A75-T78 PolarHBondContact O-OG1 3.33Å; A75-G79 WeakPolarHBondContact O-CA 3.45Å; A75-G79 PolarHBondContact O-N 3.02Å; A75-F118 WeakPolarHBondContact O-CB 3.18Å; A75-L119 HydrophobicContact CB-CD2 3.86Å; A75-L119 HydrophobicContact CB-CG 4.25Å; A75-F122 HydrophobicContact CB-CB 3.66Å; A75-F122 HydrophobicContact CB-CD1 4.08Å; A75-F122 HydrophobicContact CB-CD2 3.83Å; A75-F122 HydrophobicContact CB-CE2 4.49Å; A75-F122 HydrophobicContact CB-CG 3.59Å
76I93.3Very high91.3Very high53 Ų5355.3 Ų55.327%0.27228%0.282SS..Hα-helixtrans-63.4-50.2175.1-67.7171.3000110.5W72 L73 L74 G79 L80 T115 L119W72-I76 HydrophobicContact CE3-CD1 3.63Å; W72-I76 HydrophobicContact CZ3-CD1 3.78Å; W72-I76 WeakPolarHBondContact O-CG1 3.44Å; W72-I76 PolarHBondContact O-N 3.08Å; L73-I76 PolarHBondContact O-N 3.47Å; L74-I76 VanDerWaalsContact C-N 3.34Å; L74-I76 PolarHBondContact O-N 3.3Å; I76-G79 PolarHBondContact O-N 3.46Å; I76-L80 HydrophobicContact CG2-CD1 4Å; I76-L80 HydrophobicContact CG2-CG 4.35Å; I76-L80 VanDerWaalsContact O-CG 3.3Å; I76-L80 WeakPolarHBondContact O-CG 3.33Å; I76-L80 PolarHBondContact O-N 3.25Å; I76-T115 HydrophobicContact CB-CG2 4.29Å; I76-T115 HydrophobicContact CG1-CG2 3.97Å; I76-T115 HydrophobicContact CG2-CG2 4.28Å; I76-L119 HydrophobicContact CG1-CD1 4.33Å; I76-L119 HydrophobicContact CG1-CD2 4.21Å; I76-L119 HydrophobicContact CG1-CG 4.41Å
77L94.3Very high91.2Very high96 Ų9653.3 Ų53.350%0.50327%0.27SS..Hα-helixtrans-60.9-49.6-177.9-177.466.2000111.7L73 L74 G79 L80 I81L73-L77 PolarHBondContact O-N 3.05Å; L74-L77 PolarHBondContact O-N 2.9Å; L77-G79 VanDerWaalsContact C-N 3.33Å; L77-G79 PolarHBondContact O-N 2.94Å; L77-L80 PolarHBondContact O-N 3.47Å; L77-I81 HydrophobicContact CD1-CD1 4.15Å; L77-I81 HydrophobicContact CG-CD1 4.02Å; L77-I81 VanDerWaalsContact O-CG1 3.3Å; L77-I81 WeakPolarHBondContact O-CG1 3.36Å; L77-I81 PolarHBondContact O-N 3.25Å
78T93.4Very high91.1Very high47 Ų4750.8 Ų50.829%0.28826%0.257SS..Hα-helixtrans-63.1-40.1177.453.10000111.4L74 A75 I81 A82 F118L74-T78 WeakPolarHBondContact O-CB 3.43Å; L74-T78 VanDerWaalsContact O-CG2 3.28Å; L74-T78 WeakPolarHBondContact O-CG2 3.48Å; L74-T78 PolarHBondContact O-N 2.89Å; L74-T78 PolarHBondContact O-OG1 3.15Å; A75-T78 WeakPolarHBondContact CA-OG1 3.36Å; A75-T78 PolarHBondContact O-OG1 3.33Å; T78-I81 PolarHBondContact O-N 3.12Å; T78-A82 WeakPolarHBondContact O-CB 3.49Å; T78-A82 PolarHBondContact O-N 2.93Å; T78-F118 WeakPolarHBondContact OG1-CD1 3.41Å
79G92.6Very high90.9Very high0 Ų054.3 Ų54.30%027%0.273CS..Hα-helixtrans-62.1-41.9175.600000113.8A75 I76 L77 G83 S114A75-G79 WeakPolarHBondContact O-CA 3.45Å; A75-G79 PolarHBondContact O-N 3.02Å; I76-G79 PolarHBondContact O-N 3.46Å; L77-G79 VanDerWaalsContact C-N 3.33Å; L77-G79 PolarHBondContact O-N 2.94Å; G79-G83 WeakPolarHBondContact O-CA 3.4Å; G79-G83 PolarHBondContact O-N 3.16Å; G79-S114 WeakPolarHBondContact O-CB 3.2Å; G79-S114 PolarHBondContact O-OG 3.29Å
80L93.3Very high90.6Very high72 Ų7259.9 Ų59.938%0.37729%0.289SS..Hα-helixtrans-65.7-46.3176-69.8174.4000111.4I76 L77 G83 K84 M111 T115I76-L80 HydrophobicContact CG2-CD1 4Å; I76-L80 HydrophobicContact CG2-CG 4.35Å; I76-L80 VanDerWaalsContact O-CG 3.3Å; I76-L80 WeakPolarHBondContact O-CG 3.33Å; I76-L80 PolarHBondContact O-N 3.25Å; L77-L80 PolarHBondContact O-N 3.47Å; L80-G83 PolarHBondContact O-N 3.33Å; L80-K84 PolarHBondContact O-N 2.7Å; L80-M111 HydrophobicContact CD2-CB 3.94Å; L80-T115 PolarHBondContact N-OG1 3.18Å
81I92.9Very high90.3Very high87 Ų8758.7 Ų58.745%0.44628%0.282SS..Hα-helixtrans-64.1-48.8179-65.9169.5000110.2L77 T78 G83 K84 F85L77-I81 HydrophobicContact CD1-CD1 4.15Å; L77-I81 HydrophobicContact CG-CD1 4.02Å; L77-I81 VanDerWaalsContact O-CG1 3.3Å; L77-I81 WeakPolarHBondContact O-CG1 3.36Å; L77-I81 PolarHBondContact O-N 3.25Å; T78-I81 PolarHBondContact O-N 3.12Å; I81-G83 VanDerWaalsContact C-N 3.31Å; I81-G83 PolarHBondContact O-N 3.38Å; I81-K84 PolarHBondContact O-N 3.25Å; I81-F85 HydrophobicContact CG2-CD2 3.85Å; I81-F85 HydrophobicContact CG2-CE2 4.34Å; I81-F85 WeakPolarHBondContact O-CD2 3.5Å; I81-F85 PolarHBondContact O-N 3.13Å
82A91.8Very high90Very high7 Ų760.2 Ų60.26%0.05829%0.289CS..Hα-helixtrans-61.2-40.9176.700000111.6T78 K84 L86 F87 F118T78-A82 WeakPolarHBondContact O-CB 3.49Å; T78-A82 PolarHBondContact O-N 2.93Å; A82-K84 PolarHBondContact O-N 3.46Å; A82-L86 HydrophobicContact CB-CD1 4.01Å; A82-L86 WeakPolarHBondContact O-CA 3.33Å; A82-L86 VanDerWaalsContact O-CB 3.26Å; A82-L86 WeakPolarHBondContact O-CB 3.27Å; A82-L86 PolarHBondContact O-N 3.27Å; A82-F87 PolarHBondContact O-N 2.84Å; A82-F87 VanDerWaalsContact O-N 3.09Å; A82-F118 HydrophobicContact CB-CD2 4.32Å; A82-F118 HydrophobicContact CB-CE1 4.5Å; A82-F118 HydrophobicContact CB-CE2 3.42Å; A82-F118 VanDerWaalsContact CB-CE2 3.42Å; A82-F118 HydrophobicContact CB-CZ 3.53Å
83G89.7Confident89.3Confident0 Ų059.4 Ų59.40%029%0.294CS..Iπ-helixtrans-57.2-48.5176.500000112.2G79 L80 I81 H88 S114G79-G83 WeakPolarHBondContact O-CA 3.4Å; G79-G83 PolarHBondContact O-N 3.16Å; L80-G83 PolarHBondContact O-N 3.33Å; I81-G83 VanDerWaalsContact C-N 3.31Å; I81-G83 PolarHBondContact O-N 3.38Å; G83-H88 VanDerWaalsContact O-CB 3.31Å; G83-H88 WeakPolarHBondContact O-CB 3.43Å; G83-H88 PolarHBondContact O-N 3.02Å; G83-S114 VanDerWaalsContact CA-CB 3.46Å; G83-S114 WeakPolarHBondContact CA-OG 3.29Å; G83-S114 PolarHBondContact N-OG 3.32Å; G83-S114 VanDerWaalsContact N-OG 3.17Å
84K88.9Confident88.7Confident74 Ų7461.7 Ų61.732%0.32230%0.303SS..Iπ-helixtrans-72.3-48.4-179.1-172.1169.3-177.41730113.1L80 I81 A82 H88 Q89 M111L80-K84 PolarHBondContact O-N 2.7Å; I81-K84 PolarHBondContact O-N 3.25Å; A82-K84 PolarHBondContact O-N 3.46Å; K84-H88 WeakPolarHBondContact O-CB 3.37Å; K84-Q89 WeakPolarHBondContact O-CG 3.45Å; K84-Q89 PolarHBondContact O-N 2.78Å; K84-M111 HydrophobicContact CB-CG 4.18Å; K84-M111 HydrophobicContact CB-SD 3.99Å
85F89.3Confident88.3Confident108 Ų10864.1 Ų64.147%0.47432%0.316SS..Iπ-helixtrans-91.1-42.8-170.4-67.2-74.4000113.3I81 Q89 R90I81-F85 HydrophobicContact CG2-CD2 3.85Å; I81-F85 HydrophobicContact CG2-CE2 4.34Å; I81-F85 WeakPolarHBondContact O-CD2 3.5Å; I81-F85 PolarHBondContact O-N 3.13Å; F85-Q89 VanDerWaalsContact CD1-OE1 3.28Å; F85-R90 PolarHBondContact O-N 3.36Å
86L88.9Confident87.9Confident92 Ų9268.4 Ų68.448%0.48234%0.338SS..Iπ-helixtrans-83.2-53.3-176.8-61175.4000111.5A82 R90 L91A82-L86 HydrophobicContact CB-CD1 4.01Å; A82-L86 WeakPolarHBondContact O-CA 3.33Å; A82-L86 VanDerWaalsContact O-CB 3.26Å; A82-L86 WeakPolarHBondContact O-CB 3.27Å; A82-L86 PolarHBondContact O-N 3.27Å; L86-R90 WeakPolarHBondContact O-CB 3.39Å; L86-L91 PolarHBondContact O-N 2.96Å
87F87.8Confident87.3Confident66 Ų6675.2 Ų75.229%0.28936%0.36SS..Iπ-helixtrans-78.5-55.6-175.7-68.1-72.2000111.7A82 L91 F92 L117A82-F87 PolarHBondContact O-N 2.84Å; A82-F87 VanDerWaalsContact O-N 3.09Å; F87-L91 HydrophobicContact CD1-CD2 3.91Å; F87-L91 HydrophobicContact CE1-CD2 4.47Å; F87-L91 WeakPolarHBondContact O-CB 3.35Å; F87-L91 PolarHBondContact O-N 3.48Å; F87-F92 HydrophobicContact CB-CE2 4.26Å; F87-F92 WeakPolarHBondContact O-CD2 3.45Å; F87-F92 WeakPolarHBondContact O-CG 3.5Å; F87-F92 PolarHBondContact O-N 3.02Å; F87-L117 HydrophobicContact CZ-CD2 4.18Å
88H85.6Confident86.4Confident3 Ų374.1 Ų74.11%0.01435%0.354CS..Iπ-helixtrans-68.3-59.1-174.4-179.478000112.5G83 K84 G93 F101 D104 H105G83-H88 VanDerWaalsContact O-CB 3.31Å; G83-H88 WeakPolarHBondContact O-CB 3.43Å; G83-H88 PolarHBondContact O-N 3.02Å; K84-H88 WeakPolarHBondContact O-CB 3.37Å; H88-G93 PolarHBondContact O-N 3.1Å; H88-F101 AromaticContact CE1-CD1 3.67Å; H88-F101 PolarHBondContact CE1-O 3.33Å; H88-F101 AromaticContact ND1-CD1 3.41Å; H88-F101 WeakPolarHBondContact ND1-CD1 3.4Å; H88-D104 IonicContact CD2-OD1 2.74Å; H88-D104 WeakPolarHBondContact NE2-CA 3.44Å; H88-D104 IonicContact NE2-OD1 2.65Å; H88-D104 PolarHBondContact NE2-OD1 3.44Å; H88-H105 PolarHBondContact CE1-O 3Å; H88-H105 VanDerWaalsContact CE1-O 3.26Å
89Q82.8Confident85.5Confident75 Ų7579.9 Ų79.935%0.3538%0.376SS..Iπ-helixtrans-74.9-50.5-175-68.6179.7-900113.2K84 F85 G93 Q94K84-Q89 WeakPolarHBondContact O-CG 3.45Å; K84-Q89 PolarHBondContact O-N 2.78Å; F85-Q89 VanDerWaalsContact CD1-OE1 3.28Å; Q89-G93 CarbonylContact O-C 3.56Å; Q89-G93 WeakPolarHBondContact O-CA 3.49Å; Q89-G93 PolarHBondContact O-N 2.89Å; Q89-Q94 WeakPolarHBondContact O-CG 3.26Å; Q89-Q94 PolarHBondContact O-N 3.37Å
90R85.1Confident84.4Confident166 Ų16686.6 Ų86.663%0.62641%0.409SS*.Iπ-helixtrans-81.3-52.7-172-167.3175.8-179.5163.8-0.1112.9F85 L86 Q94 L95F85-R90 PolarHBondContact O-N 3.36Å; L86-R90 WeakPolarHBondContact O-CB 3.39Å; R90-Q94 WeakPolarHBondContact O-CB 3.35Å; R90-Q94 PolarHBondContact O-N 3.22Å; R90-L95 PolarHBondContact O-N 3.35Å
91L85.8Confident83.5Confident62 Ų6284.8 Ų84.833%0.32540%0.398SS..Iπ-helixtrans-73-57.2-177.1-174.469.2000111.8L86 F87 L95 L96L86-L91 PolarHBondContact O-N 2.96Å; F87-L91 HydrophobicContact CD1-CD2 3.91Å; F87-L91 HydrophobicContact CE1-CD2 4.47Å; F87-L91 WeakPolarHBondContact O-CB 3.35Å; F87-L91 PolarHBondContact O-N 3.48Å; L91-L95 HydrophobicContact CD1-CD2 4.46Å; L91-L95 WeakPolarHBondContact O-CB 3.49Å; L91-L95 PolarHBondContact O-N 2.81Å; L91-L96 HydrophobicContact CG-CD1 4.35Å; L91-L96 PolarHBondContact O-N 3.4Å
92F84.1Confident82.6Confident49 Ų4988.3 Ų88.322%0.21541%0.405CS..Iπ-helixtrans-80.7-40.5-174.7-61.4-46.3000113.2F87 L96 R97 L98 F101 T110F87-F92 HydrophobicContact CB-CE2 4.26Å; F87-F92 WeakPolarHBondContact O-CD2 3.45Å; F87-F92 WeakPolarHBondContact O-CG 3.5Å; F87-F92 PolarHBondContact O-N 3.02Å; F92-L96 HydrophobicContact CD1-CD1 3.82Å; F92-L96 HydrophobicContact CE1-CD1 4.13Å; F92-R97 PolarHBondContact O-N 3.39Å; F92-R97 VanDerWaalsContact O-N 3.14Å; F92-L98 HydrophobicContact CB-CD1 4.44Å; F92-L98 HydrophobicContact CD1-CD1 3.94Å; F92-L98 PolarHBondContact O-N 2.93Å; F92-F101 HydrophobicContact CB-CB 4.09Å; F92-F101 HydrophobicContact CB-CD2 3.59Å; F92-F101 HydrophobicContact CB-CE2 4.08Å; F92-F101 HydrophobicContact CB-CG 3.82Å; F92-F101 HydrophobicContact CD1-CE2 4.38Å; F92-F101 HydrophobicContact CD2-CD2 4.4Å; F92-F101 HydrophobicContact CD2-CE1 4.32Å; F92-F101 HydrophobicContact CD2-CE2 4.14Å; F92-F101 HydrophobicContact CD2-CZ 4.09Å; F92-F101 HydrophobicContact CE2-CZ 4.48Å; F92-F101 HydrophobicContact CG-CD2 4Å; F92-F101 AromaticContact CG-CE2 3.96Å; F92-F101 HydrophobicContact CG-CE2 3.96Å; F92-F101 HydrophobicContact CG-CG 4.44Å; F92-F101 HydrophobicContact CG-CZ 4.38Å; F92-T110 HydrophobicContact CD2-CG2 3.94Å; F92-T110 HydrophobicContact CE2-CG2 3.78Å
93G78.6Confident81.7Confident29 Ų2996.1 Ų96.130%0.29944%0.441SS..Iπ-helixtrans-75.1-52.5-179.100000114.1H88 Q89 R97H88-G93 PolarHBondContact O-N 3.1Å; Q89-G93 CarbonylContact O-C 3.56Å; Q89-G93 WeakPolarHBondContact O-CA 3.49Å; Q89-G93 PolarHBondContact O-N 2.89Å; G93-R97 WeakPolarHBondContact O-CA 3.43Å
94Q80.2Confident81Confident136 Ų136100 Ų10064%0.63646%0.461SS*.Iπ-helixtrans-91.9-45.5-172.6-67.3176.1-6.100113.8Q89 R90 R97Q89-Q94 WeakPolarHBondContact O-CG 3.26Å; Q89-Q94 PolarHBondContact O-N 3.37Å; R90-Q94 WeakPolarHBondContact O-CB 3.35Å; R90-Q94 PolarHBondContact O-N 3.22Å; Q94-R97 VanDerWaalsContact O-CG 3.3Å; Q94-R97 WeakPolarHBondContact O-CG 3.45Å
95L84Confident80.4Confident125 Ų125101.9 Ų101.965%0.65447%0.471SS*.Iπ-helixtrans-81.4-52.7-173.4-168.5148.8000111.9R90 L91R90-L95 PolarHBondContact O-N 3.35Å; L91-L95 HydrophobicContact CD1-CD2 4.46Å; L91-L95 WeakPolarHBondContact O-CB 3.49Å; L91-L95 PolarHBondContact O-N 2.81Å
96L83.1Confident79.8Confident89 Ų8998.4 Ų98.447%0.46647%0.466SS..SBendtrans-88-13.4-179.7-63.6172.5000113.3L91 F92 L98L91-L96 HydrophobicContact CG-CD1 4.35Å; L91-L96 PolarHBondContact O-N 3.4Å; F92-L96 HydrophobicContact CD1-CD1 3.82Å; F92-L96 HydrophobicContact CE1-CD1 4.13Å; L96-L98 HydrophobicContact CB-CD1 4.23Å; L96-L98 HydrophobicContact CB-CG 3.9Å; L96-L98 HydrophobicContact CD1-CD1 4.49Å; L96-L98 PolarHBondContact O-N 3.26Å; L96-L98 VanDerWaalsContact O-N 3.12Å
97R81.4Confident79.5Confident197 Ų19794.4 Ų94.474%0.74345%0.445SS*.  trans4938.6177.1-61.5-175.7174.3-173.3-2.1113.7F92 G93 Q94 K99F92-R97 PolarHBondContact O-N 3.39Å; F92-R97 VanDerWaalsContact O-N 3.14Å; G93-R97 WeakPolarHBondContact O-CA 3.43Å; Q94-R97 VanDerWaalsContact O-CG 3.3Å; Q94-R97 WeakPolarHBondContact O-CG 3.45Å; R97-K99 PolarHBondContact O-N 2.85Å
98L76.4Confident79.4Confident72 Ų72100.4 Ų100.438%0.37747%0.466SS..  trans-71.6120.3-177.2-65.9175.8000109.9F92 L96 M100 F101F92-L98 HydrophobicContact CB-CD1 4.44Å; F92-L98 HydrophobicContact CD1-CD1 3.94Å; F92-L98 PolarHBondContact O-N 2.93Å; L96-L98 HydrophobicContact CB-CD1 4.23Å; L96-L98 HydrophobicContact CB-CG 3.9Å; L96-L98 HydrophobicContact CD1-CD1 4.49Å; L96-L98 PolarHBondContact O-N 3.26Å; L96-L98 VanDerWaalsContact O-N 3.12Å; L98-M100 PolarHBondContact O-N 3.45Å; L98-M100 VanDerWaalsContact O-N 3.09Å; L98-F101 HydrophobicContact CB-CD2 3.88Å; L98-F101 HydrophobicContact CD1-CD2 3.99Å; L98-F101 HydrophobicContact CD1-CE2 3.98Å; L98-F101 PolarHBondContact O-N 3.39Å
99K73Confident79.4Confident169 Ų169105 Ų10574%0.73549%0.489SS*.G310 helixtrans-56.8-27.9-179.6-168.1177.4178.2-176.70112.6R97 F101 R102R97-K99 PolarHBondContact O-N 2.85Å; K99-F101 VanDerWaalsContact C-N 3.28Å; K99-F101 PolarHBondContact O-N 2.94Å; K99-R102 PolarHBondContact O-N 3.47Å
100M70.1Confident79.7Confident141 Ų141102 Ų10270%0.69548%0.476SS*.G310 helixtrans-64.1-25.8178.1-174.5176.7178.500114.1L98 H105L98-M100 PolarHBondContact O-N 3.45Å; L98-M100 VanDerWaalsContact O-N 3.09Å; M100-H105 WeakPolarHBondContact O-CB 3.33Å
101F73.8Confident79.9Confident33 Ų3396 Ų9615%0.14546%0.455CS..G310 helixtrans-106.718-176.3-66.5-75.3000113.2H88 F92 L98 K99 H105 T110H88-F101 AromaticContact CE1-CD1 3.67Å; H88-F101 PolarHBondContact CE1-O 3.33Å; H88-F101 AromaticContact ND1-CD1 3.41Å; H88-F101 WeakPolarHBondContact ND1-CD1 3.4Å; F92-F101 HydrophobicContact CB-CB 4.09Å; F92-F101 HydrophobicContact CB-CD2 3.59Å; F92-F101 HydrophobicContact CB-CE2 4.08Å; F92-F101 HydrophobicContact CB-CG 3.82Å; F92-F101 HydrophobicContact CD1-CE2 4.38Å; F92-F101 HydrophobicContact CD2-CD2 4.4Å; F92-F101 HydrophobicContact CD2-CE1 4.32Å; F92-F101 HydrophobicContact CD2-CE2 4.14Å; F92-F101 HydrophobicContact CD2-CZ 4.09Å; F92-F101 HydrophobicContact CE2-CZ 4.48Å; F92-F101 HydrophobicContact CG-CD2 4Å; F92-F101 AromaticContact CG-CE2 3.96Å; F92-F101 HydrophobicContact CG-CE2 3.96Å; F92-F101 HydrophobicContact CG-CG 4.44Å; F92-F101 HydrophobicContact CG-CZ 4.38Å; L98-F101 HydrophobicContact CB-CD2 3.88Å; L98-F101 HydrophobicContact CD1-CD2 3.99Å; L98-F101 HydrophobicContact CD1-CE2 3.98Å; L98-F101 PolarHBondContact O-N 3.39Å; K99-F101 VanDerWaalsContact C-N 3.28Å; K99-F101 PolarHBondContact O-N 2.94Å; F101-H105 WeakPolarHBondContact CD1-O 3.33Å; F101-T110 HydrophobicContact CD1-CG2 4.35Å; F101-T110 HydrophobicContact CE1-CG2 3.54Å; F101-T110 HydrophobicContact CZ-CG2 4.08Å
102R73.7Confident80.1Confident162 Ų16297.9 Ų97.961%0.61146%0.461SS*.G310 helixtrans-75.8152.8168.5-71.9-176.4172.4-172.1-2.8109.7K99 D104 H105K99-R102 PolarHBondContact O-N 3.47Å; R102-D104 VanDerWaalsContact C-N 3.31Å; R102-D104 PolarHBondContact O-N 2.98Å; R102-H105 WeakPolarHBondContact O-CB 3.35Å; R102-H105 PolarHBondContact O-CD2 2.94Å; R102-H105 PolarHBondContact O-N 3.47Å
103E72.9Confident80.4Confident171 Ų171101.6 Ų101.680%0.79948%0.477SS*.G310 helixtrans58.934.8174.7-57.6178.2-171.100114.6H105E103-H105 PolarHBondContact O-N 3.46Å; E103-H105 VanDerWaalsContact O-N 3.08Å; E103-H105 IonicContact OE2-NE2 3.61Å
104D75.6Confident81.1Confident80 Ų80100.4 Ų100.443%0.42847%0.465SS..G310 helixtrans6112.1-178.6-75.5-32.1000115.1H88 R102 G106 S107H88-D104 IonicContact CD2-OD1 2.74Å; H88-D104 WeakPolarHBondContact NE2-CA 3.44Å; H88-D104 IonicContact NE2-OD1 2.65Å; H88-D104 PolarHBondContact NE2-OD1 3.44Å; R102-D104 VanDerWaalsContact C-N 3.31Å; R102-D104 PolarHBondContact O-N 2.98Å; D104-G106 PolarHBondContact O-N 3.29Å; D104-S107 WeakPolarHBondContact O-CB 3.5Å; D104-S107 PolarHBondContact O-N 3.37Å
105H76.2Confident81.7Confident114 Ų11494.8 Ų94.853%0.52844%0.439SS..THydrogen-bonded Turntrans-63.6132.8174.6-68.5-56.3000111.6H88 M100 F101 R102 E103 S107H88-H105 PolarHBondContact CE1-O 3Å; H88-H105 VanDerWaalsContact CE1-O 3.26Å; M100-H105 WeakPolarHBondContact O-CB 3.33Å; F101-H105 WeakPolarHBondContact CD1-O 3.33Å; R102-H105 WeakPolarHBondContact O-CB 3.35Å; R102-H105 PolarHBondContact O-CD2 2.94Å; R102-H105 PolarHBondContact O-N 3.47Å; E103-H105 PolarHBondContact O-N 3.46Å; E103-H105 VanDerWaalsContact O-N 3.08Å; E103-H105 IonicContact OE2-NE2 3.61Å; H105-S107 PolarHBondContact O-N 3.42Å
106G76Confident82Confident35 Ų3591 Ų9136%0.36142%0.42SS..THydrogen-bonded Turntrans73.51.9-178.100000115.2D104 W108 M109 T110D104-G106 PolarHBondContact O-N 3.29Å; G106-W108 PolarHBondContact O-N 2.9Å; G106-M109 PolarHBondContact O-N 3.48Å; G106-M109 VanDerWaalsContact O-N 3.15Å; G106-T110 PolarHBondContact O-N 3.08Å; G106-T110 PolarHBondContact O-OG1 3.47Å
107S83.6Confident82.5Confident8 Ų890.7 Ų90.76%0.05642%0.418CS..Hα-helixtrans-56.6-37.7179-173.70000112.4D104 H105 M109 T110 M111D104-S107 WeakPolarHBondContact O-CB 3.5Å; D104-S107 PolarHBondContact O-N 3.37Å; H105-S107 PolarHBondContact O-N 3.42Å; S107-M109 PolarHBondContact O-N 3.23Å; S107-T110 VanDerWaalsContact CA-OG1 3.32Å; S107-T110 WeakPolarHBondContact CA-OG1 3.39Å; S107-T110 PolarHBondContact O-N 3.39Å; S107-T110 PolarHBondContact O-OG1 3.37Å; S107-M111 WeakPolarHBondContact O-CB 3.48Å; S107-M111 VanDerWaalsContact O-CG 3.31Å; S107-M111 WeakPolarHBondContact O-CG 3.35Å; S107-M111 PolarHBondContact O-N 3.05Å
108W86.3Confident82.9Confident192 Ų19283.4 Ų83.473%0.72739%0.392SS*.Hα-helixtrans-61.3-42.6178.1-165.979.7000113.2G106 M111 F112G106-W108 PolarHBondContact O-N 2.9Å; W108-M111 HydrophobicContact CB-CE 4.48Å; W108-M111 PolarHBondContact O-N 3.09Å; W108-F112 PolarHBondContact O-N 3.41Å
109M85.1Confident83.6Confident99 Ų9980.8 Ų80.849%0.48838%0.378SS..Hα-helixtrans-66.2-42.5177.4-172.665.285.100111.3G106 S107 M111 F112 F113G106-M109 PolarHBondContact O-N 3.48Å; G106-M109 VanDerWaalsContact O-N 3.15Å; S107-M109 PolarHBondContact O-N 3.23Å; M109-M111 VanDerWaalsContact C-N 3.33Å; M109-M111 PolarHBondContact O-N 3.5Å; M109-F112 PolarHBondContact O-N 3.01Å; M109-F113 HydrophobicContact CG-CD2 3.84Å; M109-F113 HydrophobicContact CG-CE2 3.52Å; M109-F113 VanDerWaalsContact O-CD2 3.29Å; M109-F113 WeakPolarHBondContact O-CD2 3.23Å; M109-F113 PolarHBondContact O-N 3.25Å; M109-F113 VanDerWaalsContact O-N 3.07Å; M109-F113 HydrophobicContact SD-CD2 4.04Å; M109-F113 HydrophobicContact SD-CE2 3.4Å; M109-F113 WeakPolarHBondContact SD-CE2 3.32Å; M109-F113 HydrophobicContact SD-CZ 4.01Å
110T88.4Confident84.5Confident14 Ų1475.3 Ų75.39%0.08635%0.354CS..Hα-helixtrans-65.9-36176.850.70000112.6F92 F101 G106 S107 S114F92-T110 HydrophobicContact CD2-CG2 3.94Å; F92-T110 HydrophobicContact CE2-CG2 3.78Å; F101-T110 HydrophobicContact CD1-CG2 4.35Å; F101-T110 HydrophobicContact CE1-CG2 3.54Å; F101-T110 HydrophobicContact CZ-CG2 4.08Å; G106-T110 PolarHBondContact O-N 3.08Å; G106-T110 PolarHBondContact O-OG1 3.47Å; S107-T110 VanDerWaalsContact CA-OG1 3.32Å; S107-T110 WeakPolarHBondContact CA-OG1 3.39Å; S107-T110 PolarHBondContact O-N 3.39Å; S107-T110 PolarHBondContact O-OG1 3.37Å; T110-S114 WeakPolarHBondContact O-CB 3.44Å; T110-S114 PolarHBondContact O-N 3.21Å
111M90.7Very high85.5Confident38 Ų3872.1 Ų72.119%0.18734%0.339CS..Hα-helixtrans-63.8-45.4173.1-75.9-172.9-70.500111L80 K84 S107 W108 M109 S114 T115L80-M111 HydrophobicContact CD2-CB 3.94Å; K84-M111 HydrophobicContact CB-CG 4.18Å; K84-M111 HydrophobicContact CB-SD 3.99Å; S107-M111 WeakPolarHBondContact O-CB 3.48Å; S107-M111 VanDerWaalsContact O-CG 3.31Å; S107-M111 WeakPolarHBondContact O-CG 3.35Å; S107-M111 PolarHBondContact O-N 3.05Å; W108-M111 HydrophobicContact CB-CE 4.48Å; W108-M111 PolarHBondContact O-N 3.09Å; M109-M111 VanDerWaalsContact C-N 3.33Å; M109-M111 PolarHBondContact O-N 3.5Å; M111-S114 PolarHBondContact O-N 2.9Å; M111-T115 WeakPolarHBondContact O-CB 3.18Å; M111-T115 PolarHBondContact O-N 3.19Å; M111-T115 PolarHBondContact O-OG1 3.03Å; M111-T115 VanDerWaalsContact O-OG1 3.08Å
112F89.9Confident86.3Confident102 Ų10272.2 Ų72.245%0.44734%0.34SS..Hα-helixtrans-58.2-52.3177.7177.2-106.5000112.9W108 M109 S114 T115 I116W108-F112 PolarHBondContact O-N 3.41Å; M109-F112 PolarHBondContact O-N 3.01Å; F112-S114 PolarHBondContact O-N 3.41Å; F112-T115 WeakPolarHBondContact O-CB 3.25Å; F112-T115 PolarHBondContact O-N 2.97Å; F112-I116 HydrophobicContact CD1-CD1 4.17Å; F112-I116 HydrophobicContact CE1-CD1 3.62Å; F112-I116 HydrophobicContact CE2-CD1 4.35Å; F112-I116 HydrophobicContact CZ-CD1 3.74Å; F112-I116 PolarHBondContact O-N 2.68Å; F112-I116 VanDerWaalsContact O-N 3.14Å
113F90.1Very high87.1Confident127 Ų12764.5 Ų64.556%0.55731%0.31SS*.Hα-helixtrans-65.4-38178.9-73.2-59.6000113M109 T115 I116 L117M109-F113 HydrophobicContact CG-CD2 3.84Å; M109-F113 HydrophobicContact CG-CE2 3.52Å; M109-F113 VanDerWaalsContact O-CD2 3.29Å; M109-F113 WeakPolarHBondContact O-CD2 3.23Å; M109-F113 PolarHBondContact O-N 3.25Å; M109-F113 VanDerWaalsContact O-N 3.07Å; M109-F113 HydrophobicContact SD-CD2 4.04Å; M109-F113 HydrophobicContact SD-CE2 3.4Å; M109-F113 WeakPolarHBondContact SD-CE2 3.32Å; M109-F113 HydrophobicContact SD-CZ 4.01Å; F113-T115 VanDerWaalsContact C-N 3.33Å; F113-T115 PolarHBondContact O-N 2.89Å; F113-I116 HydrophobicContact CD1-CD1 4.43Å; F113-I116 PolarHBondContact O-N 3.05Å; F113-L117 PolarHBondContact O-N 2.91Å; F113-L117 VanDerWaalsContact O-N 3.07Å
114S92.4Very high87.8Confident5 Ų560.1 Ų60.14%0.03529%0.29CS..Hα-helixtrans-62.1-41.3173.9178.70000111.3G79 G83 T110 M111 F112 I116 L117 F118G79-S114 WeakPolarHBondContact O-CB 3.2Å; G79-S114 PolarHBondContact O-OG 3.29Å; G83-S114 VanDerWaalsContact CA-CB 3.46Å; G83-S114 WeakPolarHBondContact CA-OG 3.29Å; G83-S114 PolarHBondContact N-OG 3.32Å; G83-S114 VanDerWaalsContact N-OG 3.17Å; T110-S114 WeakPolarHBondContact O-CB 3.44Å; T110-S114 PolarHBondContact O-N 3.21Å; M111-S114 PolarHBondContact O-N 2.9Å; F112-S114 PolarHBondContact O-N 3.41Å; S114-I116 VanDerWaalsContact C-N 3.34Å; S114-I116 PolarHBondContact O-N 2.96Å; S114-L117 WeakPolarHBondContact O-CB 3.32Å; S114-L117 PolarHBondContact O-N 2.89Å; S114-F118 VanDerWaalsContact O-CD2 3.32Å; S114-F118 WeakPolarHBondContact O-CD2 3.4Å; S114-F118 PolarHBondContact O-N 2.99Å
115T93Very high88.5Confident17 Ų1759.9 Ų59.910%0.10429%0.288CS..Hα-helixtrans-60.3-40.9174.5-66.20000112.7I76 L80 M111 F112 F113 F118 L119I76-T115 HydrophobicContact CB-CG2 4.29Å; I76-T115 HydrophobicContact CG1-CG2 3.97Å; I76-T115 HydrophobicContact CG2-CG2 4.28Å; L80-T115 PolarHBondContact N-OG1 3.18Å; M111-T115 WeakPolarHBondContact O-CB 3.18Å; M111-T115 PolarHBondContact O-N 3.19Å; M111-T115 PolarHBondContact O-OG1 3.03Å; M111-T115 VanDerWaalsContact O-OG1 3.08Å; F112-T115 WeakPolarHBondContact O-CB 3.25Å; F112-T115 PolarHBondContact O-N 2.97Å; F113-T115 VanDerWaalsContact C-N 3.33Å; F113-T115 PolarHBondContact O-N 2.89Å; T115-F118 PolarHBondContact O-N 3.41Å; T115-L119 HydrophobicContact CG2-CD1 3.95Å; T115-L119 HydrophobicContact CG2-CG 4.43Å; T115-L119 WeakPolarHBondContact O-CB 3.42Å; T115-L119 WeakPolarHBondContact O-CG 3.37Å; T115-L119 PolarHBondContact O-N 3.11Å
116I91.1Very high89Confident47 Ų4754.5 Ų54.524%0.24126%0.263CS..Hα-helixtrans-61.6-45.4174.9-65170.3000110.8V46 C50 F112 F113 S114 F118 L119 F120V46-I116 HydrophobicContact CG1-CG2 4.28Å; C50-I116 PolarHBondContact SG-O 3.09Å; F112-I116 HydrophobicContact CD1-CD1 4.17Å; F112-I116 HydrophobicContact CE1-CD1 3.62Å; F112-I116 HydrophobicContact CE2-CD1 4.35Å; F112-I116 HydrophobicContact CZ-CD1 3.74Å; F112-I116 PolarHBondContact O-N 2.68Å; F112-I116 VanDerWaalsContact O-N 3.14Å; F113-I116 HydrophobicContact CD1-CD1 4.43Å; F113-I116 PolarHBondContact O-N 3.05Å; S114-I116 VanDerWaalsContact C-N 3.34Å; S114-I116 PolarHBondContact O-N 2.96Å; I116-F118 PolarHBondContact O-N 3.42Å; I116-L119 PolarHBondContact O-N 3.46Å; I116-F120 PolarHBondContact O-N 2.83Å
117L92.1Very high89.6Confident81 Ų8153.8 Ų53.842%0.42425%0.251SS..Hα-helixtrans-58.9-47.3177.3-174.788.2000111.5F87 F113 S114 F120 I121F87-L117 HydrophobicContact CZ-CD2 4.18Å; F113-L117 PolarHBondContact O-N 2.91Å; F113-L117 VanDerWaalsContact O-N 3.07Å; S114-L117 WeakPolarHBondContact O-CB 3.32Å; S114-L117 PolarHBondContact O-N 2.89Å; L117-F120 WeakPolarHBondContact O-CB 3.31Å; L117-F120 PolarHBondContact O-N 3.41Å; L117-I121 HydrophobicContact CD2-CD1 4.37Å; L117-I121 HydrophobicContact CG-CD1 4.18Å; L117-I121 WeakPolarHBondContact O-CG1 3.47Å; L117-I121 PolarHBondContact O-N 2.91Å
118F91.6Very high89.7Confident44 Ų4457 Ų5719%0.19327%0.27CS..Hα-helixtrans-68.8-37.7-179.4-87.9-99.3000112.3A75 T78 A82 S114 T115 I116 F120 I121 F122A75-F118 WeakPolarHBondContact O-CB 3.18Å; T78-F118 WeakPolarHBondContact OG1-CD1 3.41Å; A82-F118 HydrophobicContact CB-CD2 4.32Å; A82-F118 HydrophobicContact CB-CE1 4.5Å; A82-F118 HydrophobicContact CB-CE2 3.42Å; A82-F118 VanDerWaalsContact CB-CE2 3.42Å; A82-F118 HydrophobicContact CB-CZ 3.53Å; S114-F118 VanDerWaalsContact O-CD2 3.32Å; S114-F118 WeakPolarHBondContact O-CD2 3.4Å; S114-F118 PolarHBondContact O-N 2.99Å; T115-F118 PolarHBondContact O-N 3.41Å; I116-F118 PolarHBondContact O-N 3.42Å; F118-F120 VanDerWaalsContact C-N 3.28Å; F118-F120 PolarHBondContact O-N 3.23Å; F118-I121 PolarHBondContact O-N 3.14Å; F118-F122 HydrophobicContact CD1-CE2 4.27Å; F118-F122 WeakPolarHBondContact O-CB 3.38Å; F118-F122 WeakPolarHBondContact O-CD2 3.4Å; F118-F122 PolarHBondContact O-N 2.88Å
119L91.3Very high89.7Confident17 Ų1750.5 Ų50.59%0.08925%0.249CC..Hα-helixtrans-58.6-41.6171.2-80.7167.2000111.6C50 F53 V54 W72 A75 I76 T115 I116 F122 S123C50-L119 HydrophobicContact CB-CB 4.24Å; F53-L119 HydrophobicContact CD1-CD2 4.01Å; F53-L119 HydrophobicContact CE1-CD2 4.26Å; V54-L119 HydrophobicContact CG2-CD2 4.04Å; W72-L119 HydrophobicContact CB-CD2 4.06Å; A75-L119 HydrophobicContact CB-CD2 3.86Å; A75-L119 HydrophobicContact CB-CG 4.25Å; I76-L119 HydrophobicContact CG1-CD1 4.33Å; I76-L119 HydrophobicContact CG1-CD2 4.21Å; I76-L119 HydrophobicContact CG1-CG 4.41Å; T115-L119 HydrophobicContact CG2-CD1 3.95Å; T115-L119 HydrophobicContact CG2-CG 4.43Å; T115-L119 WeakPolarHBondContact O-CB 3.42Å; T115-L119 WeakPolarHBondContact O-CG 3.37Å; T115-L119 PolarHBondContact O-N 3.11Å; I116-L119 PolarHBondContact O-N 3.46Å; L119-F122 PolarHBondContact O-N 3.1Å; L119-S123 WeakPolarHBondContact O-CB 3.49Å; L119-S123 PolarHBondContact O-N 3.4Å
120F90.6Very high89.6Confident54 Ų5445.9 Ų45.924%0.23723%0.226CC..Hα-helixtrans-63.7-46.8176.3-178.5-103000111.9V46 N49 C50 I116 L117 F118 F122 S123 H124V46-F120 HydrophobicContact CB-CD2 4Å; V46-F120 HydrophobicContact CB-CE2 4.11Å; V46-F120 HydrophobicContact CG1-CB 4.03Å; V46-F120 HydrophobicContact CG1-CD2 3.68Å; V46-F120 HydrophobicContact CG1-CE2 4.26Å; V46-F120 HydrophobicContact CG1-CG 3.93Å; V46-F120 HydrophobicContact CG2-CD2 4.12Å; V46-F120 HydrophobicContact CG2-CE2 3.84Å; V46-F120 HydrophobicContact CG2-CZ 4.19Å; N49-F120 HydrophobicContact CB-CD2 3.99Å; N49-F120 HydrophobicContact CB-CE2 4.23Å; N49-F120 WeakPolarHBondContact ND2-CE2 3.36Å; C50-F120 PolarHBondContact SG-N 3.27Å; I116-F120 PolarHBondContact O-N 2.83Å; L117-F120 WeakPolarHBondContact O-CB 3.31Å; L117-F120 PolarHBondContact O-N 3.41Å; F118-F120 VanDerWaalsContact C-N 3.28Å; F118-F120 PolarHBondContact O-N 3.23Å; F120-F122 PolarHBondContact O-N 3.5Å; F120-S123 PolarHBondContact O-N 3.15Å; F120-S123 PolarHBondContact O-OG 2.84Å; F120-H124 AromaticContact CD2-CE1 3.87Å; F120-H124 AromaticContact CE1-CE1 3.63Å; F120-H124 AromaticContact CE2-CE1 3.35Å; F120-H124 WeakPolarHBondContact CE2-CE1 3.17Å; F120-H124 AromaticContact CZ-CE1 3.21Å; F120-H124 WeakPolarHBondContact CZ-CE1 3.41Å; F120-H124 AromaticContact CZ-NE2 3.78Å; F120-H124 PolarHBondContact O-N 3.38Å; F120-H124 PolarHBondContact O-ND1 2.65Å
121I90.9Very high89.4Confident74 Ų7450.5 Ų50.538%0.37925%0.25SC..Hα-helixtrans-60.8-47.6177.2-66.3165.5000110.7L117 F118 S123 H124 I125L117-I121 HydrophobicContact CD2-CD1 4.37Å; L117-I121 HydrophobicContact CG-CD1 4.18Å; L117-I121 WeakPolarHBondContact O-CG1 3.47Å; L117-I121 PolarHBondContact O-N 2.91Å; F118-I121 PolarHBondContact O-N 3.14Å; I121-S123 VanDerWaalsContact C-N 3.31Å; I121-S123 PolarHBondContact O-N 3.4Å; I121-H124 WeakPolarHBondContact O-CB 3.32Å; I121-H124 PolarHBondContact O-N 2.74Å; I121-H124 VanDerWaalsContact O-N 3.14Å; I121-I125 HydrophobicContact CG2-CD1 4.05Å; I121-I125 WeakPolarHBondContact O-CG1 3.28Å; I121-I125 PolarHBondContact O-N 2.83Å
122F90.6Very high89Confident35 Ų3556.1 Ų56.115%0.15428%0.278CS..Hα-helixtrans-66.6-31.4179.3-89.5-108.3000112.9F53 L71 L74 A75 F118 L119 F120 H124 I125 Y126F53-F122 HydrophobicContact CE1-CB 3.88Å; F53-F122 HydrophobicContact CZ-CB 4.23Å; L71-F122 HydrophobicContact CB-CD1 4.37Å; L71-F122 HydrophobicContact CD2-CD1 4.09Å; L71-F122 HydrophobicContact CD2-CE1 4.21Å; L71-F122 WeakPolarHBondContact O-CD1 3.39Å; L74-F122 HydrophobicContact CB-CE1 4.11Å; A75-F122 HydrophobicContact CB-CB 3.66Å; A75-F122 HydrophobicContact CB-CD1 4.08Å; A75-F122 HydrophobicContact CB-CD2 3.83Å; A75-F122 HydrophobicContact CB-CE2 4.49Å; A75-F122 HydrophobicContact CB-CG 3.59Å; F118-F122 HydrophobicContact CD1-CE2 4.27Å; F118-F122 WeakPolarHBondContact O-CB 3.38Å; F118-F122 WeakPolarHBondContact O-CD2 3.4Å; F118-F122 PolarHBondContact O-N 2.88Å; L119-F122 PolarHBondContact O-N 3.1Å; F120-F122 PolarHBondContact O-N 3.5Å; F122-H124 VanDerWaalsContact C-N 3.27Å; F122-H124 PolarHBondContact O-N 2.95Å; F122-I125 PolarHBondContact O-N 3.41Å; F122-Y126 WeakPolarHBondContact O-CB 3.23Å; F122-Y126 PolarHBondContact O-N 3.32Å
123S90.3Very high88.4Confident0 Ų055.1 Ų55.10%028%0.277CS..Hα-helixtrans-61.9-36.9172.875.40000111.9L119 F120 I121 Y126 N127L119-S123 WeakPolarHBondContact O-CB 3.49Å; L119-S123 PolarHBondContact O-N 3.4Å; F120-S123 PolarHBondContact O-N 3.15Å; F120-S123 PolarHBondContact O-OG 2.84Å; I121-S123 VanDerWaalsContact C-N 3.31Å; I121-S123 PolarHBondContact O-N 3.4Å; S123-Y126 PolarHBondContact O-N 3.47Å; S123-N127 PolarHBondContact O-N 3.23Å
124H88.7Confident87.2Confident80 Ų8052.4 Ų52.437%0.3729%0.285SS..Hα-helixtrans-71.5-40.8175.2-72.863000111.8N49 F120 I121 F122 Y126 N127 T128N49-H124 PolarHBondContact ND2-CE1 3.1Å; F120-H124 AromaticContact CD2-CE1 3.87Å; F120-H124 AromaticContact CE1-CE1 3.63Å; F120-H124 AromaticContact CE2-CE1 3.35Å; F120-H124 WeakPolarHBondContact CE2-CE1 3.17Å; F120-H124 AromaticContact CZ-CE1 3.21Å; F120-H124 WeakPolarHBondContact CZ-CE1 3.41Å; F120-H124 AromaticContact CZ-NE2 3.78Å; F120-H124 PolarHBondContact O-N 3.38Å; F120-H124 PolarHBondContact O-ND1 2.65Å; I121-H124 WeakPolarHBondContact O-CB 3.32Å; I121-H124 PolarHBondContact O-N 2.74Å; I121-H124 VanDerWaalsContact O-N 3.14Å; F122-H124 VanDerWaalsContact C-N 3.27Å; F122-H124 PolarHBondContact O-N 2.95Å; H124-Y126 VanDerWaalsContact C-N 3.3Å; H124-Y126 PolarHBondContact O-N 2.8Å; H124-N127 PolarHBondContact O-N 3.29Å; H124-T128 PolarHBondContact O-N 3.22Å; H124-T128 PolarHBondContact O-OG1 2.94Å; H124-T128 VanDerWaalsContact O-OG1 3.09Å
125I89.3Confident86.3Confident75 Ų7559.2 Ų59.239%0.38532%0.321SS..Hα-helixtrans-58.8-45.5173.8-65.4170000110.1I121 F122 N127 T128 I129I121-I125 HydrophobicContact CG2-CD1 4.05Å; I121-I125 WeakPolarHBondContact O-CG1 3.28Å; I121-I125 PolarHBondContact O-N 2.83Å; F122-I125 PolarHBondContact O-N 3.41Å; I125-N127 PolarHBondContact O-N 3.15Å; I125-T128 WeakPolarHBondContact O-CB 3.29Å; I125-T128 PolarHBondContact O-N 3.44Å; I125-I129 HydrophobicContact CG2-CD1 4.08Å; I125-I129 WeakPolarHBondContact O-CG1 3.38Å; I125-I129 PolarHBondContact O-N 3.09Å
126Y86.7Confident85.2Confident0 Ų060 Ų600%032%0.324CS..Hα-helixtrans-62.2-42.7177.2-179.8-105.8000112.4F53 K68 L71 F122 S123 H124 T128 I129 L130 I141F53-Y126 HydrophobicContact CD2-CD1 4.38Å; F53-Y126 HydrophobicContact CE2-CD1 4.17Å; F53-Y126 HydrophobicContact CE2-CD2 4.46Å; F53-Y126 AromaticContact CE2-CG 3.9Å; F53-Y126 HydrophobicContact CE2-CG 3.9Å; K68-Y126 HydrophobicContact CB-CE2 3.99Å; K68-Y126 HydrophobicContact CD-CE1 4.11Å; K68-Y126 HydrophobicContact CG-CE1 4.4Å; K68-Y126 HydrophobicContact CG-CE2 4.39Å; L71-Y126 HydrophobicContact CD1-CD2 3.56Å; L71-Y126 HydrophobicContact CD1-CE2 4.42Å; L71-Y126 HydrophobicContact CD1-CG 4.33Å; F122-Y126 WeakPolarHBondContact O-CB 3.23Å; F122-Y126 PolarHBondContact O-N 3.32Å; S123-Y126 PolarHBondContact O-N 3.47Å; H124-Y126 VanDerWaalsContact C-N 3.3Å; H124-Y126 PolarHBondContact O-N 2.8Å; Y126-T128 VanDerWaalsContact C-N 3.31Å; Y126-T128 PolarHBondContact O-N 2.93Å; Y126-I129 PolarHBondContact O-N 3.47Å; Y126-L130 HydrophobicContact CD1-CD1 3.79Å; Y126-L130 HydrophobicContact CD1-CG 4.27Å; Y126-L130 HydrophobicContact CE1-CD1 3.3Å; Y126-L130 HydrophobicContact CE1-CD2 4.45Å; Y126-L130 HydrophobicContact CE1-CG 3.92Å; Y126-L130 HydrophobicContact CE2-CD2 4.48Å; Y126-L130 HydrophobicContact CE2-CG 4.38Å; Y126-L130 PolarHBondContact O-N 2.73Å; Y126-I141 HydrophobicContact CD1-CD1 3.38Å; Y126-I141 HydrophobicContact CD1-CG1 4.15Å; Y126-I141 HydrophobicContact CE1-CD1 3.93Å; Y126-I141 HydrophobicContact CE1-CG1 4.39Å; Y126-I141 HydrophobicContact CG-CD1 4.34Å
127N88.4Confident84.1Confident21 Ų2160.3 Ų60.311%0.11234%0.338CS..Hα-helixtrans-59.4-41.6174.4-78.2-10.9000112S123 H124 I125 I129 L130 L131 I141S123-N127 PolarHBondContact O-N 3.23Å; H124-N127 PolarHBondContact O-N 3.29Å; I125-N127 PolarHBondContact O-N 3.15Å; N127-I129 VanDerWaalsContact C-N 3.35Å; N127-I129 PolarHBondContact O-N 3.25Å; N127-L130 PolarHBondContact O-N 3.23Å; N127-L131 VanDerWaalsContact O-CG 3.31Å; N127-L131 WeakPolarHBondContact O-CG 3.45Å; N127-L131 PolarHBondContact O-N 3.3Å; N127-I141 PolarHBondContact ND2-O 3.46Å; N127-I141 WeakPolarHBondContact OD1-CB 3.28Å; N127-I141 PolarHBondContact OD1-N 3.13Å
128T86.3Confident83.1Confident74 Ų7460.5 Ų60.545%0.45435%0.352SS..Hα-helixtrans-61.6-42.4175.2-57.60000111.7H124 I125 Y126 L130 L131 M132H124-T128 PolarHBondContact O-N 3.22Å; H124-T128 PolarHBondContact O-OG1 2.94Å; H124-T128 VanDerWaalsContact O-OG1 3.09Å; I125-T128 WeakPolarHBondContact O-CB 3.29Å; I125-T128 PolarHBondContact O-N 3.44Å; Y126-T128 VanDerWaalsContact C-N 3.31Å; Y126-T128 PolarHBondContact O-N 2.93Å; T128-L130 VanDerWaalsContact C-N 3.34Å; T128-L130 PolarHBondContact O-N 3.26Å; T128-L131 PolarHBondContact O-N 3.48Å; T128-M132 HydrophobicContact CG2-CE 3.99Å; T128-M132 WeakPolarHBondContact O-CG 3.41Å; T128-M132 PolarHBondContact O-N 3.44Å; T128-M132 VanDerWaalsContact O-N 3.16Å
129I85.6Confident82.4Confident57 Ų5760.7 Ų60.729%0.29235%0.351SS..Hα-helixtrans-63.1-41176.6-63.9165.5000110.9W64 L67 L71 I125 Y126 N127 M132W64-I129 HydrophobicContact CH2-CG2 4.17Å; W64-I129 HydrophobicContact CZ3-CG2 3.91Å; L67-I129 HydrophobicContact CD2-CG2 4.3Å; L71-I129 HydrophobicContact CD1-CD1 4.33Å; I125-I129 HydrophobicContact CG2-CD1 4.08Å; I125-I129 WeakPolarHBondContact O-CG1 3.38Å; I125-I129 PolarHBondContact O-N 3.09Å; Y126-I129 PolarHBondContact O-N 3.47Å; N127-I129 VanDerWaalsContact C-N 3.35Å; N127-I129 PolarHBondContact O-N 3.25Å; I129-M132 PolarHBondContact O-N 3.14Å
130L84.2Confident81.8Confident1 Ų162 Ų621%0.00536%0.358CS..Hα-helixtrans-66.5-36.7176.6-72.7179000112.9W64 Y126 N127 T128 M132 D133 M136W64-L130 HydrophobicContact CD2-CD2 4.39Å; W64-L130 HydrophobicContact CE3-CD2 3.71Å; W64-L130 HydrophobicContact CH2-CD2 4.17Å; W64-L130 HydrophobicContact CZ3-CD2 3.59Å; Y126-L130 HydrophobicContact CD1-CD1 3.79Å; Y126-L130 HydrophobicContact CD1-CG 4.27Å; Y126-L130 HydrophobicContact CE1-CD1 3.3Å; Y126-L130 HydrophobicContact CE1-CD2 4.45Å; Y126-L130 HydrophobicContact CE1-CG 3.92Å; Y126-L130 HydrophobicContact CE2-CD2 4.48Å; Y126-L130 HydrophobicContact CE2-CG 4.38Å; Y126-L130 PolarHBondContact O-N 2.73Å; N127-L130 PolarHBondContact O-N 3.23Å; T128-L130 VanDerWaalsContact C-N 3.34Å; T128-L130 PolarHBondContact O-N 3.26Å; L130-M132 VanDerWaalsContact C-N 3.3Å; L130-M132 PolarHBondContact O-N 3.08Å; L130-D133 PolarHBondContact O-N 3.24Å; L130-M136 HydrophobicContact CB-CB 4.29Å; L130-M136 HydrophobicContact CD2-CB 3.91Å; L130-M136 HydrophobicContact CD2-CG 4.17Å
131L83.9Confident81.3Confident111 Ų11159.6 Ų59.658%0.58135%0.348SS*.Hα-helixtrans-67.5-31.2178-74.9169.2000112.4N127 T128 D133 G134 I140N127-L131 VanDerWaalsContact O-CG 3.31Å; N127-L131 WeakPolarHBondContact O-CG 3.45Å; N127-L131 PolarHBondContact O-N 3.3Å; T128-L131 PolarHBondContact O-N 3.48Å; L131-D133 VanDerWaalsContact C-N 3.26Å; L131-D133 PolarHBondContact O-N 3.4Å; L131-G134 PolarHBondContact O-N 2.94Å; L131-I140 HydrophobicContact CD2-CD1 3.69Å; L131-I140 HydrophobicContact CG-CD1 4.33Å
132M82Confident80.9Confident157 Ų15758.2 Ų58.277%0.77334%0.343SS*.Hα-helixtrans-65.6-26.5175.3-71.2175.4174.900113.3T128 I129 L130T128-M132 HydrophobicContact CG2-CE 3.99Å; T128-M132 WeakPolarHBondContact O-CG 3.41Å; T128-M132 PolarHBondContact O-N 3.44Å; T128-M132 VanDerWaalsContact O-N 3.16Å; I129-M132 PolarHBondContact O-N 3.14Å; L130-M132 VanDerWaalsContact C-N 3.3Å; L130-M132 PolarHBondContact O-N 3.08Å
133D77.7Confident80.3Confident80 Ų8058.8 Ų58.843%0.42835%0.347SS..THydrogen-bonded Turntrans-82-14.8177.2-166.142.7000112.6W64 L130 L131 N135 M136W64-D133 HydrophobicContact CH2-CB 4.25Å; W64-D133 HydrophobicContact CZ2-CB 4.11Å; W64-D133 WeakPolarHBondContact CZ2-OD2 3.24Å; L130-D133 PolarHBondContact O-N 3.24Å; L131-D133 VanDerWaalsContact C-N 3.26Å; L131-D133 PolarHBondContact O-N 3.4Å; D133-N135 PolarHBondContact O-N 3.24Å; D133-M136 WeakPolarHBondContact OD2-CG 3.28Å
134G65.4Low79.7Confident70 Ų7064 Ų6472%0.72237%0.368SS*.SBendtrans71.1-24.217200000116.9L131L131-G134 PolarHBondContact O-N 2.94Å
135N72Confident79Confident149 Ų14960.4 Ų60.480%0.79735%0.351SS*.SBendtrans-107.19.4-173.7-153.33.2000114.3D133D133-N135 PolarHBondContact O-N 3.24Å
136M70.4Confident78.2Confident34 Ų3459 Ų5917%0.16736%0.356CS..  trans-112.119.7-170.5-66.4-66.1-17200114.5L130 D133 A138 Y139L130-M136 HydrophobicContact CB-CB 4.29Å; L130-M136 HydrophobicContact CD2-CB 3.91Å; L130-M136 HydrophobicContact CD2-CG 4.17Å; D133-M136 WeakPolarHBondContact OD2-CG 3.28Å; M136-A138 PolarHBondContact O-N 3.19Å; M136-A138 VanDerWaalsContact O-N 3.07Å; M136-Y139 HydrophobicContact CB-CD2 4.44Å; M136-Y139 PolarHBondContact O-N 3.02Å; M136-Y139 HydrophobicContact SD-CD2 3.7Å; M136-Y139 HydrophobicContact SD-CE2 3.96Å
137G67.6Low77.8Confident52 Ų5261.3 Ų61.354%0.53637%0.367SS..G310 helixtrans-53.6-32.8-17600000114.9Y139 I140G137-Y139 PolarHBondContact O-N 3.19Å; G137-I140 WeakPolarHBondContact O-CG1 3.26Å; G137-I140 PolarHBondContact O-N 3.07Å
138A70.9Confident77.5Confident86 Ų8667.2 Ų67.271%0.71139%0.388SS*.G310 helixtrans-69.1-17178.300000114.4M136M136-A138 PolarHBondContact O-N 3.19Å; M136-A138 VanDerWaalsContact O-N 3.07Å
139Y77.2Confident77.2Confident47 Ų4764.7 Ų64.718%0.18437%0.372CS..G310 helixtrans-103.41.9-177.7-58.7-70.3000113.4P59 M136 G137 I141P59-Y139 HydrophobicContact CB-CD1 4.15Å; P59-Y139 HydrophobicContact CB-CD2 4.14Å; P59-Y139 HydrophobicContact CB-CE1 4.36Å; P59-Y139 HydrophobicContact CB-CE2 4.33Å; P59-Y139 HydrophobicContact CB-CG 4.04Å; M136-Y139 HydrophobicContact CB-CD2 4.44Å; M136-Y139 PolarHBondContact O-N 3.02Å; M136-Y139 HydrophobicContact SD-CD2 3.7Å; M136-Y139 HydrophobicContact SD-CE2 3.96Å; G137-Y139 PolarHBondContact O-N 3.19Å; Y139-I141 PolarHBondContact O-N 3.06Å
140I79.3Confident76.9Confident45 Ų4563.8 Ų63.823%0.23137%0.366CS..  trans-58.9129.5176.4-66.5174.1000109.3K57 L131 G137 T142K57-I140 VanDerWaalsContact CD-O 3.23Å; K57-I140 WeakPolarHBondContact CD-O 3.32Å; K57-I140 PolarHBondContact NZ-O 3.3Å; L131-I140 HydrophobicContact CD2-CD1 3.69Å; L131-I140 HydrophobicContact CG-CD1 4.33Å; G137-I140 WeakPolarHBondContact O-CG1 3.26Å; G137-I140 PolarHBondContact O-N 3.07Å; I140-T142 HydrophobicContact CG2-CG2 4.48Å
141I80.6Confident76.8Confident4 Ų466.8 Ų66.82%0.02139%0.388CS..  trans-73.9133.8177.2-59.2167.6000108.2N49 F53 Y126 N127 Y139N49-I141 HydrophobicContact CB-CG2 4.28Å; N49-I141 VanDerWaalsContact O-CG2 3.31Å; N49-I141 WeakPolarHBondContact O-CG2 3.4Å; F53-I141 HydrophobicContact CB-CD1 3.77Å; F53-I141 HydrophobicContact CB-CG2 4.43Å; F53-I141 HydrophobicContact CD2-CD1 3.26Å; F53-I141 HydrophobicContact CE2-CD1 4.11Å; F53-I141 HydrophobicContact CG-CD1 3.84Å; Y126-I141 HydrophobicContact CD1-CD1 3.38Å; Y126-I141 HydrophobicContact CD1-CG1 4.15Å; Y126-I141 HydrophobicContact CE1-CD1 3.93Å; Y126-I141 HydrophobicContact CE1-CG1 4.39Å; Y126-I141 HydrophobicContact CG-CD1 4.34Å; N127-I141 PolarHBondContact ND2-O 3.46Å; N127-I141 WeakPolarHBondContact OD1-CB 3.28Å; N127-I141 PolarHBondContact OD1-N 3.13Å; Y139-I141 PolarHBondContact O-N 3.06Å
142T81.6Confident76.8Confident45 Ų4563.5 Ų63.528%0.27637%0.369SS..  trans-136.9166.6-176.756.90000109.1N49 K57 I140 Y144N49-T142 WeakPolarHBondContact OD1-CA 3.48Å; N49-T142 PolarHBondContact OD1-N 3.3Å; N49-T142 PolarHBondContact OD1-O 2.92Å; N49-T142 VanDerWaalsContact OD1-O 3.07Å; K57-T142 PolarHBondContact NZ-OG1 2.84Å; I140-T142 HydrophobicContact CG2-CG2 4.48Å; T142-Y144 PolarHBondContact O-N 3.48Å
143D79.2Confident76.8Confident46 Ų4657.5 Ų57.525%0.24634%0.339CS..SBendtrans-66-7.7179.8-59.6-57.6000113.7N43 V44 V46 G48 N49N43-D143 WeakPolarHBondContact OD1-CB 3.45Å; V44-D143 PolarHBondContact N-O 3.48Å; V46-D143 PolarHBondContact N-OD1 3.37Å; G48-D143 WeakPolarHBondContact CA-O 3.45Å; N49-D143 VanDerWaalsContact CG-OD1 3.28Å; N49-D143 PolarHBondContact ND2-OD1 2.73Å; N49-D143 PolarHBondContact OD1-N 3.35Å; N49-D143 PolarHBondContact OD1-OD1 3.48Å
144Y77.3Confident77.1Confident111 Ų11155 Ų5544%0.43532%0.324SS..EExtended strand (participates in β ladder)trans-73.8119170.1-64-76.5000112.1E41 N43 T142E41-Y144 HydrophobicContact CB-CD1 4.26Å; E41-Y144 HydrophobicContact CG-CD1 4.14Å; E41-Y144 WeakPolarHBondContact OE1-CB 3.21Å; N43-Y144 HydrophobicContact CB-CD1 4.06Å; N43-Y144 HydrophobicContact CB-CE1 3.96Å; T142-Y144 PolarHBondContact O-N 3.48Å
145M72.9Confident78.1Confident3 Ų357.6 Ų57.62%0.01532%0.321CS..EExtended strand (participates in β ladder)trans-77.1-16-175.7-86.9-170.5-106.800115.3A42 V44 V47 G48 F51 N56 I147 F152A42-M145 HydrophobicContact CB-CE 4.36Å; A42-M145 PolarHBondContact O-N 2.97Å; V44-M145 HydrophobicContact CB-CE 3.64Å; V44-M145 HydrophobicContact CG2-CE 3.46Å; V44-M145 VanDerWaalsContact CG2-CE 3.46Å; V47-M145 HydrophobicContact CG1-CE 4.26Å; G48-M145 VanDerWaalsContact CA-CG 3.43Å; F51-M145 HydrophobicContact CB-CG 3.88Å; F51-M145 HydrophobicContact CB-SD 4.03Å; F51-M145 HydrophobicContact CD1-CB 3.87Å; F51-M145 HydrophobicContact CD1-CG 3.78Å; F51-M145 WeakPolarHBondContact CD1-O 3.36Å; F51-M145 HydrophobicContact CD1-SD 4.16Å; F51-M145 HydrophobicContact CE1-CB 4.39Å; F51-M145 WeakPolarHBondContact CE1-O 3.39Å; F51-M145 HydrophobicContact CG-CG 4.04Å; F51-M145 HydrophobicContact CG-SD 4.03Å; N56-M145 PolarHBondContact ND2-O 3.08Å; M145-I147 HydrophobicContact CB-CD1 4.18Å; M145-I147 HydrophobicContact CB-CG1 3.75Å; M145-I147 PolarHBondContact O-N 3.34Å; M145-I147 HydrophobicContact SD-CD1 3.84Å; M145-I147 HydrophobicContact SD-CG1 4.39Å; M145-F152 HydrophobicContact CE-CD2 3.67Å; M145-F152 HydrophobicContact CE-CE2 3.55Å; M145-F152 HydrophobicContact CE-CG 4.25Å; M145-F152 HydrophobicContact CE-CZ 4.04Å; M145-F152 HydrophobicContact SD-CD2 3.98Å; M145-F152 HydrophobicContact SD-CE2 4.12Å
146G72.1Confident78.7Confident47 Ų4752.1 Ų52.149%0.48530%0.296SS..EExtended strand (participates in β ladder)trans75.37.8-169.200000114.4E41E41-G146 WeakPolarHBondContact OE1-CA 3.23Å; E41-G146 PolarHBondContact OE1-N 3.41Å
147I79.4Confident79.5Confident48 Ų4850.9 Ų50.925%0.24629%0.292CS..EExtended strand (participates in β ladder)trans-117.4153.117468.9-174.4000109.4A42 F51 M145 F152A42-I147 HydrophobicContact CB-CG1 4.07Å; A42-I147 WeakPolarHBondContact CB-O 3.46Å; A42-I147 PolarHBondContact N-O 3.39Å; F51-I147 HydrophobicContact CE1-CG2 4.01Å; F51-I147 HydrophobicContact CZ-CG2 4.26Å; M145-I147 HydrophobicContact CB-CD1 4.18Å; M145-I147 HydrophobicContact CB-CG1 3.75Å; M145-I147 PolarHBondContact O-N 3.34Å; M145-I147 HydrophobicContact SD-CD1 3.84Å; M145-I147 HydrophobicContact SD-CG1 4.39Å; I147-F152 HydrophobicContact CD1-CB 3.84Å; I147-F152 HydrophobicContact CD1-CD2 3.99Å; I147-F152 HydrophobicContact CD1-CG 4.37Å; I147-F152 HydrophobicContact CG1-CB 4.2Å
148R81.6Confident80.5Confident145 Ų14550.3 Ų50.355%0.54728%0.278SS..EExtended strand (participates in β ladder)trans-73.5148.7177.4-58.2-173.3-171.2-175.81.8110.5E150 S151 F152R148-E150 VanDerWaalsContact C-N 3.27Å; R148-E150 PolarHBondContact O-N 3.42Å; R148-S151 PolarHBondContact O-N 3.25Å; R148-S151 VanDerWaalsContact O-N 3.09Å; R148-F152 PolarHBondContact O-N 3.28Å
149N80.3Confident81.3Confident21 Ų2148 Ų4811%0.11226%0.262CS..Hα-helixtrans-54.7-42.3176-89.4-44.9000112.2V35 S38 T40 E41 A42 S151 F152 M153V35-N149 HydrophobicContact CG1-CB 4.09Å; S38-N149 WeakPolarHBondContact O-CB 3.45Å; T40-N149 PolarHBondContact O-N 2.83Å; T40-N149 PolarHBondContact O-ND2 3.42Å; T40-N149 PolarHBondContact OG1-ND2 3.26Å; E41-N149 PolarHBondContact O-ND2 3.23Å; A42-N149 WeakPolarHBondContact CA-OD1 3.17Å; A42-N149 WeakPolarHBondContact CB-OD1 3.47Å; N149-S151 PolarHBondContact O-N 2.91Å; N149-F152 PolarHBondContact O-N 3.42Å; N149-M153 VanDerWaalsContact O-CB 3.28Å; N149-M153 WeakPolarHBondContact O-CB 3.36Å; N149-M153 VanDerWaalsContact O-CG 3.24Å; N149-M153 WeakPolarHBondContact O-CG 3.37Å; N149-M153 PolarHBondContact O-N 2.84Å
150E79.9Confident81.8Confident38 Ų3848.7 Ų48.718%0.17827%0.271CS..Hα-helixtrans-53.9-50.2173.3177.6-170.7171.200112.7S36 S38 Q39 R148 F152 M153 K154S36-E150 VanDerWaalsContact O-CA 3.28Å; S36-E150 WeakPolarHBondContact O-CA 3.49Å; S36-E150 WeakPolarHBondContact O-CB 3.2Å; S36-E150 WeakPolarHBondContact O-CG 3.37Å; S38-E150 PolarHBondContact O-N 2.52Å; S38-E150 VanDerWaalsContact O-N 3.08Å; Q39-E150 PolarHBondContact NE2-OE2 3.2Å; R148-E150 VanDerWaalsContact C-N 3.27Å; R148-E150 PolarHBondContact O-N 3.42Å; E150-F152 PolarHBondContact O-N 2.91Å; E150-M153 PolarHBondContact O-N 2.65Å; E150-K154 HydrophobicContact CG-CD 4.19Å; E150-K154 WeakPolarHBondContact O-CB 3.39Å; E150-K154 WeakPolarHBondContact O-CG 3.47Å; E150-K154 PolarHBondContact O-N 2.86Å; E150-K154 WeakPolarHBondContact OE1-CE 3.08Å; E150-K154 IonicContact OE1-NZ 3.58Å; E150-K154 PolarHBondContact OE1-NZ 3.19Å
151S81.3Confident82.3Confident64 Ų6447.4 Ų47.445%0.44826%0.264SS..Hα-helixtrans-67.3-38.4-178.5-51.50000112R148 N149 L155R148-S151 PolarHBondContact O-N 3.25Å; R148-S151 VanDerWaalsContact O-N 3.09Å; N149-S151 PolarHBondContact O-N 2.91Å; S151-L155 PolarHBondContact O-N 3.49Å; S151-L155 VanDerWaalsContact O-N 3.07Å
152F83.7Confident82.8Confident42 Ų4252.4 Ų52.418%0.18429%0.288CS..Hα-helixtrans-62.9-46.4174.7175.9-105.4000111.4A42 V44 M145 I147 R148 N149 E150 L155 A156A42-F152 HydrophobicContact CB-CB 3.92Å; A42-F152 HydrophobicContact CB-CG 4.25Å; V44-F152 HydrophobicContact CG2-CD1 4.29Å; V44-F152 HydrophobicContact CG2-CE1 3.65Å; V44-F152 HydrophobicContact CG2-CE2 4.48Å; V44-F152 HydrophobicContact CG2-CZ 3.76Å; M145-F152 HydrophobicContact CE-CD2 3.67Å; M145-F152 HydrophobicContact CE-CE2 3.55Å; M145-F152 HydrophobicContact CE-CG 4.25Å; M145-F152 HydrophobicContact CE-CZ 4.04Å; M145-F152 HydrophobicContact SD-CD2 3.98Å; M145-F152 HydrophobicContact SD-CE2 4.12Å; I147-F152 HydrophobicContact CD1-CB 3.84Å; I147-F152 HydrophobicContact CD1-CD2 3.99Å; I147-F152 HydrophobicContact CD1-CG 4.37Å; I147-F152 HydrophobicContact CG1-CB 4.2Å; R148-F152 PolarHBondContact O-N 3.28Å; N149-F152 PolarHBondContact O-N 3.42Å; E150-F152 PolarHBondContact O-N 2.91Å; F152-L155 PolarHBondContact O-N 3.22Å; F152-A156 WeakPolarHBondContact O-CB 3.22Å; F152-A156 PolarHBondContact O-N 3.13Å
153M81.7Confident83.1Confident30 Ų3052 Ų5215%0.14829%0.293CS..Hα-helixtrans-63.6-42.8178.9-74.9-57.3-6400111.4F30 V35 N149 E150 L155 A156 A157F30-M153 HydrophobicContact CD2-CE 4.07Å; F30-M153 HydrophobicContact CE2-CB 3.89Å; F30-M153 HydrophobicContact CE2-CE 4.12Å; F30-M153 VanDerWaalsContact CE2-O 3.26Å; F30-M153 WeakPolarHBondContact CE2-O 3.44Å; V35-M153 HydrophobicContact CG1-CG 4.16Å; N149-M153 VanDerWaalsContact O-CB 3.28Å; N149-M153 WeakPolarHBondContact O-CB 3.36Å; N149-M153 VanDerWaalsContact O-CG 3.24Å; N149-M153 WeakPolarHBondContact O-CG 3.37Å; N149-M153 PolarHBondContact O-N 2.84Å; E150-M153 PolarHBondContact O-N 2.65Å; M153-L155 VanDerWaalsContact C-N 3.31Å; M153-L155 PolarHBondContact O-N 2.84Å; M153-A156 PolarHBondContact O-N 2.97Å; M153-A157 WeakPolarHBondContact O-CB 3.35Å; M153-A157 PolarHBondContact O-N 3.4Å
154K85.4Confident83.6Confident29 Ų2950.8 Ų50.813%0.12629%0.286CS..Hα-helixtrans-58.2-42.6173.1-73.4178.1172.9175.60111.8F30 E150 A157 V158 I217 D220F30-K154 HydrophobicContact CZ-CG 4.44Å; E150-K154 HydrophobicContact CG-CD 4.19Å; E150-K154 WeakPolarHBondContact O-CB 3.39Å; E150-K154 WeakPolarHBondContact O-CG 3.47Å; E150-K154 PolarHBondContact O-N 2.86Å; E150-K154 WeakPolarHBondContact OE1-CE 3.08Å; E150-K154 IonicContact OE1-NZ 3.58Å; E150-K154 PolarHBondContact OE1-NZ 3.19Å; K154-A157 PolarHBondContact O-N 3.38Å; K154-V158 WeakPolarHBondContact O-CG2 3.38Å; K154-V158 PolarHBondContact O-N 3.42Å; K154-V158 VanDerWaalsContact O-N 3.12Å; K154-I217 HydrophobicContact CB-CG2 3.76Å; K154-I217 HydrophobicContact CD-CG2 4.46Å; K154-I217 WeakPolarHBondContact CE-O 3.32Å; K154-I217 HydrophobicContact CG-CG2 3.71Å; K154-D220 VanDerWaalsContact CE-OD1 3.23Å; K154-D220 WeakPolarHBondContact CE-OD1 3.41Å; K154-D220 VanDerWaalsContact NZ-CG 3.31Å; K154-D220 IonicContact NZ-OD1 2.8Å; K154-D220 PolarHBondContact NZ-OD1 3.16Å; K154-D220 IonicContact NZ-OD2 2.73Å; K154-D220 PolarHBondContact NZ-OD2 3.5Å
155L85.4Confident84.2Confident123 Ų12345.8 Ų45.864%0.64427%0.267SS*.Hα-helixtrans-66.3-42.3176.3-174.8147.3000112S151 F152 M153 V158 G159S151-L155 PolarHBondContact O-N 3.49Å; S151-L155 VanDerWaalsContact O-N 3.07Å; F152-L155 PolarHBondContact O-N 3.22Å; M153-L155 VanDerWaalsContact C-N 3.31Å; M153-L155 PolarHBondContact O-N 2.84Å; L155-V158 PolarHBondContact O-N 3.45Å; L155-G159 PolarHBondContact O-N 2.67Å
156A85.8Confident85Confident34 Ų3448.2 Ų48.228%0.28128%0.282SS..Hα-helixtrans-61.2-43.917600000111.2F152 M153 V158 G159 T160F152-A156 WeakPolarHBondContact O-CB 3.22Å; F152-A156 PolarHBondContact O-N 3.13Å; M153-A156 PolarHBondContact O-N 2.97Å; A156-V158 PolarHBondContact O-N 2.82Å; A156-G159 CarbonylContact O-C 3.56Å; A156-G159 WeakPolarHBondContact O-CA 3.2Å; A156-G159 PolarHBondContact O-N 3.28Å; A156-G159 VanDerWaalsContact O-N 3.13Å; A156-T160 PolarHBondContact O-N 3.46Å; A156-T160 PolarHBondContact O-OG1 3.49Å; A156-T160 VanDerWaalsContact O-OG1 3.09Å
157A85.8Confident85.8Confident9 Ų948.7 Ų48.77%0.07428%0.275CS..Hα-helixtrans-61.5-42.7177.200000112.9F30 M153 K154 G159 T160 W161 I217F30-A157 HydrophobicContact CD1-CB 4.42Å; F30-A157 HydrophobicContact CD2-CB 3.62Å; F30-A157 HydrophobicContact CE1-CB 4.38Å; F30-A157 HydrophobicContact CE2-CB 3.56Å; F30-A157 HydrophobicContact CG-CB 4.05Å; F30-A157 HydrophobicContact CZ-CB 3.96Å; M153-A157 WeakPolarHBondContact O-CB 3.35Å; M153-A157 PolarHBondContact O-N 3.4Å; K154-A157 PolarHBondContact O-N 3.38Å; A157-G159 VanDerWaalsContact C-N 3.31Å; A157-G159 PolarHBondContact O-N 2.96Å; A157-T160 PolarHBondContact O-N 3.12Å; A157-W161 WeakPolarHBondContact O-CB 3.32Å; A157-W161 PolarHBondContact O-N 2.86Å; A157-I217 HydrophobicContact CB-CD1 3.91Å
158V88.4Confident86.3Confident39 Ų3946.5 Ų46.524%0.23626%0.264CS..Hα-helixtrans-63.2-40173.9173.90000110.9K154 L155 A156 M162 V214 I217K154-V158 WeakPolarHBondContact O-CG2 3.38Å; K154-V158 PolarHBondContact O-N 3.42Å; K154-V158 VanDerWaalsContact O-N 3.12Å; L155-V158 PolarHBondContact O-N 3.45Å; A156-V158 PolarHBondContact O-N 2.82Å; V158-M162 PolarHBondContact O-N 3.06Å; V158-V214 HydrophobicContact CG1-CG2 3.86Å; V158-V214 HydrophobicContact CG2-CG2 3.94Å; V158-I217 HydrophobicContact CG2-CD1 3.74Å; V158-I217 HydrophobicContact CG2-CG2 4.5Å
159G88.1Confident86.7Confident37 Ų3741.1 Ų41.138%0.38124%0.244SC..Hα-helixtrans-61.9-48.4175.300000112.8L155 A156 A157 M162 G163L155-G159 PolarHBondContact O-N 2.67Å; A156-G159 CarbonylContact O-C 3.56Å; A156-G159 WeakPolarHBondContact O-CA 3.2Å; A156-G159 PolarHBondContact O-N 3.28Å; A156-G159 VanDerWaalsContact O-N 3.13Å; A157-G159 VanDerWaalsContact C-N 3.31Å; A157-G159 PolarHBondContact O-N 2.96Å; G159-M162 PolarHBondContact O-N 3.45Å; G159-G163 PolarHBondContact O-N 2.77Å; G159-G163 VanDerWaalsContact O-N 3.1Å
160T88.8Confident87.1Confident62 Ų6245.5 Ų45.538%0.3827%0.265SS..Hα-helixtrans-60.6-47.9176.5-57.90000110.9N26 A156 A157 M162 G163 D164N26-T160 HydrophobicContact CB-CG2 3.96Å; A156-T160 PolarHBondContact O-N 3.46Å; A156-T160 PolarHBondContact O-OG1 3.49Å; A156-T160 VanDerWaalsContact O-OG1 3.09Å; A157-T160 PolarHBondContact O-N 3.12Å; T160-M162 VanDerWaalsContact C-N 3.28Å; T160-M162 PolarHBondContact O-N 2.89Å; T160-G163 PolarHBondContact O-N 3.42Å; T160-G163 VanDerWaalsContact O-N 3.11Å; T160-D164 VanDerWaalsContact O-CG 3.3Å; T160-D164 PolarHBondContact O-N 3.43Å
161W90.1Very high87.4Confident19 Ų1944 Ų447%0.07226%0.259CS..Hα-helixtrans-52.1-47174.3159.5-101.6000112.3I23 F27 A157 G163 D164 F165 L209 T210 V213I23-W161 HydrophobicContact CG2-CE3 4.02Å; I23-W161 HydrophobicContact CG2-CZ3 3.77Å; F27-W161 HydrophobicContact CE2-CD2 4.5Å; F27-W161 AromaticContact CE2-CE3 3.52Å; F27-W161 HydrophobicContact CE2-CE3 3.52Å; F27-W161 AromaticContact CE2-CZ3 3.99Å; F27-W161 HydrophobicContact CE2-CZ3 3.99Å; F27-W161 HydrophobicContact CZ-CB 4.06Å; F27-W161 HydrophobicContact CZ-CD2 4.13Å; F27-W161 AromaticContact CZ-CE3 3.57Å; F27-W161 HydrophobicContact CZ-CE3 3.57Å; F27-W161 HydrophobicContact CZ-CG 4.35Å; F27-W161 HydrophobicContact CZ-CZ3 4.35Å; A157-W161 WeakPolarHBondContact O-CB 3.32Å; A157-W161 PolarHBondContact O-N 2.86Å; W161-G163 VanDerWaalsContact C-N 3.33Å; W161-G163 PolarHBondContact O-N 3.42Å; W161-D164 PolarHBondContact O-N 3Å; W161-F165 HydrophobicContact CD2-CB 4.48Å; W161-F165 HydrophobicContact CH2-CB 4.47Å; W161-F165 HydrophobicContact CH2-CD2 4.04Å; W161-F165 HydrophobicContact CZ2-CB 4.1Å; W161-F165 AromaticContact CZ2-CD2 3.83Å; W161-F165 HydrophobicContact CZ2-CD2 3.83Å; W161-F165 HydrophobicContact CZ2-CG 4.18Å; W161-F165 WeakPolarHBondContact O-CB 3.42Å; W161-F165 PolarHBondContact O-N 3.1Å; W161-L209 HydrophobicContact CH2-CB 4.05Å; W161-L209 HydrophobicContact CH2-CD1 4.25Å; W161-L209 HydrophobicContact CZ2-CB 3.56Å; W161-L209 HydrophobicContact CZ2-CD1 4.41Å; W161-T210 PolarHBondContact NE1-OG1 3.47Å; W161-V213 HydrophobicContact CB-CG1 4.01Å; W161-V213 HydrophobicContact CD2-CB 4.14Å; W161-V213 HydrophobicContact CD2-CG1 3.96Å; W161-V213 HydrophobicContact CD2-CG2 3.71Å; W161-V213 HydrophobicContact CE3-CG2 3.93Å; W161-V213 HydrophobicContact CG-CB 4.2Å; W161-V213 HydrophobicContact CG-CG1 3.64Å; W161-V213 HydrophobicContact CG-CG2 4.28Å; W161-V213 HydrophobicContact CH2-CG2 4.03Å; W161-V213 HydrophobicContact CZ2-CG2 3.87Å; W161-V213 HydrophobicContact CZ3-CG2 4.05Å
162M89.6Confident87.8Confident108 Ų10841.6 Ų41.653%0.53224%0.241SC..Hα-helixtrans-63.6-41.4-178.7-174.8176.661.500111.3V158 G159 T160 V166V158-M162 PolarHBondContact O-N 3.06Å; G159-M162 PolarHBondContact O-N 3.45Å; T160-M162 VanDerWaalsContact C-N 3.28Å; T160-M162 PolarHBondContact O-N 2.89Å; M162-V166 VanDerWaalsContact O-CG2 3.3Å; M162-V166 WeakPolarHBondContact O-CG2 3.3Å; M162-V166 PolarHBondContact O-N 3.38Å; M162-V166 VanDerWaalsContact O-N 3.14Å
163G88.4Confident87.9Confident37 Ų3740.6 Ų40.638%0.38124%0.238SC..Hα-helixtrans-63.3-48.6175.600000112.8G159 T160 W161 V166 T167G159-G163 PolarHBondContact O-N 2.77Å; G159-G163 VanDerWaalsContact O-N 3.1Å; T160-G163 PolarHBondContact O-N 3.42Å; T160-G163 VanDerWaalsContact O-N 3.11Å; W161-G163 VanDerWaalsContact C-N 3.33Å; W161-G163 PolarHBondContact O-N 3.42Å; G163-V166 PolarHBondContact O-N 3.43Å; G163-T167 WeakPolarHBondContact O-CB 3.26Å; G163-T167 PolarHBondContact O-N 3.39Å; G163-T167 PolarHBondContact O-OG1 3.25Å
164D89.8Confident88Confident20 Ų2042.6 Ų42.611%0.10725%0.248CC..Hα-helixtrans-67.6-39.7-179.2-59.8-21.6000111.8I23 N26 T160 W161 V166 T167 A168I23-D164 HydrophobicContact CD1-CB 4.42Å; I23-D164 HydrophobicContact CG1-CB 3.54Å; N26-D164 WeakPolarHBondContact CB-OD2 3.47Å; N26-D164 VanDerWaalsContact ND2-CG 3.27Å; N26-D164 PolarHBondContact ND2-OD1 3.33Å; N26-D164 PolarHBondContact ND2-OD2 3.35Å; T160-D164 VanDerWaalsContact O-CG 3.3Å; T160-D164 PolarHBondContact O-N 3.43Å; W161-D164 PolarHBondContact O-N 3Å; D164-V166 PolarHBondContact O-N 3.37Å; D164-T167 PolarHBondContact O-N 3.46Å; D164-A168 WeakPolarHBondContact O-CB 3.49Å; D164-A168 PolarHBondContact O-N 3.07Å
165F90.9Very high87.9Confident7 Ų741.3 Ų41.33%0.03124%0.242CC..Hα-helixtrans-59.6-48.9176.3174-92.1000110.8W161 T167 A168 W169 F202 V205 L206 L209W161-F165 HydrophobicContact CD2-CB 4.48Å; W161-F165 HydrophobicContact CH2-CB 4.47Å; W161-F165 HydrophobicContact CH2-CD2 4.04Å; W161-F165 HydrophobicContact CZ2-CB 4.1Å; W161-F165 AromaticContact CZ2-CD2 3.83Å; W161-F165 HydrophobicContact CZ2-CD2 3.83Å; W161-F165 HydrophobicContact CZ2-CG 4.18Å; W161-F165 WeakPolarHBondContact O-CB 3.42Å; W161-F165 PolarHBondContact O-N 3.1Å; F165-T167 VanDerWaalsContact C-N 3.29Å; F165-T167 PolarHBondContact O-N 3.41Å; F165-A168 PolarHBondContact O-N 3.22Å; F165-W169 HydrophobicContact CE1-CB 4.45Å; F165-W169 HydrophobicContact CE2-CE3 4.15Å; F165-W169 HydrophobicContact CZ-CB 4.48Å; F165-W169 HydrophobicContact CZ-CD2 4.23Å; F165-W169 HydrophobicContact CZ-CE3 4.13Å; F165-W169 HydrophobicContact CZ-CG 4.44Å; F165-W169 VanDerWaalsContact O-CB 3.25Å; F165-W169 WeakPolarHBondContact O-CB 3.13Å; F165-W169 PolarHBondContact O-N 3.16Å; F165-F202 HydrophobicContact CE1-CE2 4.45Å; F165-V205 HydrophobicContact CE2-CG1 3.83Å; F165-V205 HydrophobicContact CZ-CB 4.46Å; F165-V205 HydrophobicContact CZ-CG1 3.9Å; F165-L206 HydrophobicContact CD1-CD1 3.35Å; F165-L206 HydrophobicContact CD1-CG 4.5Å; F165-L206 HydrophobicContact CE1-CB 3.67Å; F165-L206 HydrophobicContact CE1-CD1 3.38Å; F165-L206 HydrophobicContact CE1-CG 4.09Å; F165-L206 HydrophobicContact CG-CD1 4.35Å; F165-L206 HydrophobicContact CZ-CB 4.1Å; F165-L206 HydrophobicContact CZ-CD1 4.39Å; F165-L209 HydrophobicContact CD2-CD1 4.28Å; F165-L209 HydrophobicContact CE2-CD1 3.82Å
166V89.7Confident87.9Confident53 Ų5336.2 Ų36.232%0.32122%0.215SC..Hα-helixtrans-60.4-43177.5171.60000110.2M162 G163 D164 W169 M170M162-V166 VanDerWaalsContact O-CG2 3.3Å; M162-V166 WeakPolarHBondContact O-CG2 3.3Å; M162-V166 PolarHBondContact O-N 3.38Å; M162-V166 VanDerWaalsContact O-N 3.14Å; G163-V166 PolarHBondContact O-N 3.43Å; D164-V166 PolarHBondContact O-N 3.37Å; V166-W169 PolarHBondContact O-N 3.24Å; V166-M170 HydrophobicContact CG1-CG 4.32Å; V166-M170 HydrophobicContact CG1-SD 3.87Å; V166-M170 WeakPolarHBondContact O-CB 3.42Å; V166-M170 WeakPolarHBondContact O-CG 3.34Å; V166-M170 PolarHBondContact O-N 3.02Å
167T88.3Confident87.7Confident57 Ų5738.2 Ų38.235%0.3522%0.219SC..Hα-helixtrans-62.6-51.8178.4-58.50000112G163 D164 F165 W169 M170 V171 I253G163-T167 WeakPolarHBondContact O-CB 3.26Å; G163-T167 PolarHBondContact O-N 3.39Å; G163-T167 PolarHBondContact O-OG1 3.25Å; D164-T167 PolarHBondContact O-N 3.46Å; F165-T167 VanDerWaalsContact C-N 3.29Å; F165-T167 PolarHBondContact O-N 3.41Å; T167-W169 VanDerWaalsContact C-N 3.28Å; T167-W169 PolarHBondContact O-N 3.5Å; T167-M170 WeakPolarHBondContact O-CB 3.15Å; T167-M170 PolarHBondContact O-N 2.85Å; T167-V171 WeakPolarHBondContact O-CG2 3.3Å; T167-V171 PolarHBondContact O-N 3.46Å; T167-I253 HydrophobicContact CG2-CD1 4.4Å; T167-I253 HydrophobicContact CG2-CG2 4.23Å
168A89.7Confident87.2Confident2 Ų238.8 Ų38.82%0.01722%0.221CC..Hα-helixtrans-61.5-38.5178.500000111.6A19 Y20 I23 D164 F165 V171 T172A19-A168 HydrophobicContact CB-CB 4.15Å; Y20-A168 HydrophobicContact CD1-CB 4.29Å; Y20-A168 HydrophobicContact CE1-CB 4.07Å; I23-A168 HydrophobicContact CD1-CB 3.68Å; D164-A168 WeakPolarHBondContact O-CB 3.49Å; D164-A168 PolarHBondContact O-N 3.07Å; F165-A168 PolarHBondContact O-N 3.22Å; A168-V171 PolarHBondContact O-N 3.43Å; A168-T172 WeakPolarHBondContact O-CB 3.21Å; A168-T172 PolarHBondContact O-N 2.87Å; A168-T172 PolarHBondContact O-OG1 3.36Å; A168-T172 VanDerWaalsContact O-OG1 3.1Å
169W90.2Very high86.2Confident33 Ų3345 Ų4513%0.12525%0.245CC..Hα-helixtrans-71.8-35.6177.5-156-90.7000113F165 V166 T167 V171 T172 D173 W192 L201 F202 V205F165-W169 HydrophobicContact CE1-CB 4.45Å; F165-W169 HydrophobicContact CE2-CE3 4.15Å; F165-W169 HydrophobicContact CZ-CB 4.48Å; F165-W169 HydrophobicContact CZ-CD2 4.23Å; F165-W169 HydrophobicContact CZ-CE3 4.13Å; F165-W169 HydrophobicContact CZ-CG 4.44Å; F165-W169 VanDerWaalsContact O-CB 3.25Å; F165-W169 WeakPolarHBondContact O-CB 3.13Å; F165-W169 PolarHBondContact O-N 3.16Å; V166-W169 PolarHBondContact O-N 3.24Å; T167-W169 VanDerWaalsContact C-N 3.28Å; T167-W169 PolarHBondContact O-N 3.5Å; W169-V171 VanDerWaalsContact C-N 3.33Å; W169-T172 PolarHBondContact O-N 3.01Å; W169-D173 VanDerWaalsContact O-CB 3.23Å; W169-D173 WeakPolarHBondContact O-CB 3.35Å; W169-D173 PolarHBondContact O-N 3.12Å; W169-W192 AromaticContact CE2-CH2 3.63Å; W169-W192 HydrophobicContact CH2-CH2 4.34Å; W169-W192 AromaticContact CZ2-CH2 3.42Å; W169-W192 HydrophobicContact CZ2-CH2 3.42Å; W169-W192 VanDerWaalsContact CZ2-CH2 3.42Å; W169-W192 AromaticContact CZ2-CZ3 3.95Å; W169-W192 HydrophobicContact CZ2-CZ3 3.95Å; W169-W192 AromaticContact NE1-CH2 3.54Å; W169-W192 AromaticContact NE1-CZ2 3.88Å; W169-L201 HydrophobicContact CZ2-CB 4.47Å; W169-F202 AromaticContact CD1-CD2 3.35Å; W169-F202 AromaticContact CD1-CE2 3.92Å; W169-F202 HydrophobicContact CG-CD2 4.06Å; W169-F202 HydrophobicContact CG-CE2 4.37Å; W169-F202 AromaticContact NE1-CD2 3.51Å; W169-V205 HydrophobicContact CH2-CB 4.08Å; W169-V205 HydrophobicContact CH2-CG1 3.93Å; W169-V205 HydrophobicContact CH2-CG2 3.97Å; W169-V205 HydrophobicContact CZ2-CB 4.42Å; W169-V205 HydrophobicContact CZ2-CG2 4.44Å; W169-V205 HydrophobicContact CZ3-CG1 3.91Å
170M88.3Confident85.4Confident113 Ų11345.8 Ų45.856%0.55724%0.243SC*.Hα-helixtrans-60.9-43.6170.5-76.3173.764.300110.9V166 T167 D173 M174V166-M170 HydrophobicContact CG1-CG 4.32Å; V166-M170 HydrophobicContact CG1-SD 3.87Å; V166-M170 WeakPolarHBondContact O-CB 3.42Å; V166-M170 WeakPolarHBondContact O-CG 3.34Å; V166-M170 PolarHBondContact O-N 3.02Å; T167-M170 WeakPolarHBondContact O-CB 3.15Å; T167-M170 PolarHBondContact O-N 2.85Å; M170-D173 PolarHBondContact O-N 3.39Å; M170-M174 WeakPolarHBondContact O-CB 3.19Å; M170-M174 VanDerWaalsContact O-CG 3.26Å; M170-M174 WeakPolarHBondContact O-CG 3.33Å; M170-M174 PolarHBondContact O-N 3.45Å
171V87.3Confident84.7Confident7 Ų743.4 Ų43.44%0.04223%0.227CC..Hα-helixtrans-61.4-48.9174.8172.80000110.8R15 A19 T167 A168 W169 D173 M174 M175 I253R15-V171 HydrophobicContact CB-CG1 4.1Å; A19-V171 HydrophobicContact CB-CB 4.3Å; A19-V171 HydrophobicContact CB-CG1 4.3Å; A19-V171 HydrophobicContact CB-CG2 4.34Å; T167-V171 WeakPolarHBondContact O-CG2 3.3Å; T167-V171 PolarHBondContact O-N 3.46Å; A168-V171 PolarHBondContact O-N 3.43Å; W169-V171 VanDerWaalsContact C-N 3.33Å; V171-D173 VanDerWaalsContact C-N 3.32Å; V171-D173 PolarHBondContact O-N 3.21Å; V171-M174 PolarHBondContact O-N 3.19Å; V171-M175 HydrophobicContact CG1-CG 4.4Å; V171-M175 VanDerWaalsContact O-CG 3.27Å; V171-M175 WeakPolarHBondContact O-CG 3.49Å; V171-M175 PolarHBondContact O-N 3.37Å; V171-I253 HydrophobicContact CG2-CG2 3.88Å
172T88Confident83.9Confident13 Ų1346.3 Ų46.38%0.0825%0.248CC..Hα-helixtrans-59.1-43.2177.5-66.10000111.8Y20 A168 W169 M175 L176Y20-T172 PolarHBondContact OH-OG1 3.14Å; A168-T172 WeakPolarHBondContact O-CB 3.21Å; A168-T172 PolarHBondContact O-N 2.87Å; A168-T172 PolarHBondContact O-OG1 3.36Å; A168-T172 VanDerWaalsContact O-OG1 3.1Å; W169-T172 PolarHBondContact O-N 3.01Å; T172-M175 PolarHBondContact O-N 3.25Å; T172-L176 HydrophobicContact CG2-CD1 3.86Å; T172-L176 HydrophobicContact CG2-CG 4.46Å; T172-L176 WeakPolarHBondContact O-CG 3.48Å; T172-L176 PolarHBondContact O-N 3.38Å
173D86.8Confident83.4Confident20 Ų2047 Ų4711%0.10725%0.254CS..Hα-helixtrans-63.7-45.6177.6-179.161.3000112.2W169 M170 V171 M175 L176 Q177 W192 R198W169-D173 VanDerWaalsContact O-CB 3.23Å; W169-D173 WeakPolarHBondContact O-CB 3.35Å; W169-D173 PolarHBondContact O-N 3.12Å; M170-D173 PolarHBondContact O-N 3.39Å; V171-D173 VanDerWaalsContact C-N 3.32Å; V171-D173 PolarHBondContact O-N 3.21Å; D173-M175 VanDerWaalsContact C-N 3.3Å; D173-M175 PolarHBondContact O-N 2.99Å; D173-L176 PolarHBondContact O-N 3.27Å; D173-Q177 WeakPolarHBondContact O-CB 3.39Å; D173-Q177 WeakPolarHBondContact O-CG 3.43Å; D173-Q177 PolarHBondContact O-N 3.07Å; D173-Q177 VanDerWaalsContact O-N 3.08Å; D173-Q177 PolarHBondContact OD1-NE2 3.07Å; D173-Q177 PolarHBondContact OD2-NE2 3.22Å; D173-W192 HydrophobicContact CB-CZ2 4.33Å; D173-W192 PolarHBondContact OD1-NE1 3.42Å; D173-R198 WeakPolarHBondContact OD1-CD 3.32Å; D173-R198 IonicContact OD1-CZ 3.32Å; D173-R198 IonicContact OD1-NE 3.38Å; D173-R198 PolarHBondContact OD1-NE 3.23Å; D173-R198 IonicContact OD1-NH2 3.06Å; D173-R198 IonicContact OD2-CZ 2.76Å; D173-R198 IonicContact OD2-NE 3.48Å; D173-R198 PolarHBondContact OD2-NE 2.88Å; D173-R198 IonicContact OD2-NH2 3.98Å; D173-R198 PolarHBondContact OD2-NH2 3.38Å
174M83.8Confident83Confident73 Ų7346.6 Ų46.636%0.3624%0.241SC..Hα-helixtrans-56.5-46.9173.4-73.9176.970.800110.5M170 V171 L176 Q177 D178M170-M174 WeakPolarHBondContact O-CB 3.19Å; M170-M174 VanDerWaalsContact O-CG 3.26Å; M170-M174 WeakPolarHBondContact O-CG 3.33Å; M170-M174 PolarHBondContact O-N 3.45Å; V171-M174 PolarHBondContact O-N 3.19Å; M174-L176 PolarHBondContact O-N 3.14Å; M174-Q177 PolarHBondContact O-N 3.48Å; M174-D178 VanDerWaalsContact O-CB 3.32Å; M174-D178 WeakPolarHBondContact O-CB 3.31Å; M174-D178 PolarHBondContact O-N 3.46Å
175M83.9Confident82.5Confident2 Ų247.1 Ų47.11%0.0125%0.251CS..Hα-helixtrans-66-37.7-178.1-67.7-54.488.200113.2P12 R15 V171 T172 D173 Q177 D178 W184 L260P12-M175 HydrophobicContact CB-CB 4.26Å; P12-M175 HydrophobicContact CB-CG 4.16Å; P12-M175 HydrophobicContact CB-SD 3.87Å; P12-M175 HydrophobicContact CG-SD 4Å; R15-M175 HydrophobicContact CB-SD 4.48Å; R15-M175 VanDerWaalsContact CZ-CE 3.49Å; V171-M175 HydrophobicContact CG1-CG 4.4Å; V171-M175 VanDerWaalsContact O-CG 3.27Å; V171-M175 WeakPolarHBondContact O-CG 3.49Å; V171-M175 PolarHBondContact O-N 3.37Å; T172-M175 PolarHBondContact O-N 3.25Å; D173-M175 VanDerWaalsContact C-N 3.3Å; D173-M175 PolarHBondContact O-N 2.99Å; M175-Q177 VanDerWaalsContact C-N 3.29Å; M175-Q177 PolarHBondContact O-N 3.41Å; M175-D178 HydrophobicContact CE-CB 4.36Å; M175-D178 PolarHBondContact O-N 3Å; M175-W184 HydrophobicContact CB-CH2 4.14Å; M175-W184 HydrophobicContact CB-CZ3 4.05Å; M175-L260 HydrophobicContact CE-CD1 4.15Å
176L84Confident82.1Confident15 Ų1552.6 Ų52.68%0.07928%0.275CS..Hα-helixtrans-71.7-26.6177.2-69.5170.7000112.2T172 D173 M174 W184 A188 R189 W192 K193T172-L176 HydrophobicContact CG2-CD1 3.86Å; T172-L176 HydrophobicContact CG2-CG 4.46Å; T172-L176 WeakPolarHBondContact O-CG 3.48Å; T172-L176 PolarHBondContact O-N 3.38Å; D173-L176 PolarHBondContact O-N 3.27Å; M174-L176 PolarHBondContact O-N 3.14Å; L176-W184 HydrophobicContact CD2-CH2 4.44Å; L176-W184 HydrophobicContact CD2-CZ3 4.25Å; L176-A188 HydrophobicContact CD2-CB 4.02Å; L176-R189 HydrophobicContact CD2-CG 3.92Å; L176-R189 WeakPolarHBondContact O-CG 3.34Å; L176-R189 PolarHBondContact O-NE 3.45Å; L176-W192 HydrophobicContact CB-CB 4.16Å; L176-W192 HydrophobicContact CB-CD2 4.35Å; L176-W192 HydrophobicContact CB-CG 3.78Å; L176-W192 HydrophobicContact CD1-CB 4.11Å; L176-W192 HydrophobicContact CD1-CD2 3.39Å; L176-W192 HydrophobicContact CD1-CE3 3.61Å; L176-W192 HydrophobicContact CD1-CG 3.63Å; L176-W192 HydrophobicContact CD1-CH2 4.47Å; L176-W192 HydrophobicContact CD1-CZ2 4.31Å; L176-W192 HydrophobicContact CD1-CZ3 4.16Å; L176-W192 HydrophobicContact CG-CD2 4.48Å; L176-W192 HydrophobicContact CG-CG 4.28Å; L176-K193 WeakPolarHBondContact O-CE 3.44Å
177Q81.9Confident81.9Confident77 Ų7755 Ų5536%0.3629%0.294SS..Hα-helixtrans-85.9-23.4175.2-67-177.642.200113.5D173 M174 M175 K193D173-Q177 WeakPolarHBondContact O-CB 3.39Å; D173-Q177 WeakPolarHBondContact O-CG 3.43Å; D173-Q177 PolarHBondContact O-N 3.07Å; D173-Q177 VanDerWaalsContact O-N 3.08Å; D173-Q177 PolarHBondContact OD1-NE2 3.07Å; D173-Q177 PolarHBondContact OD2-NE2 3.22Å; M174-Q177 PolarHBondContact O-N 3.48Å; M175-Q177 VanDerWaalsContact C-N 3.29Å; M175-Q177 PolarHBondContact O-N 3.41Å; Q177-K193 PolarHBondContact O-NZ 2.94Å
178D74.7Confident81.6Confident20 Ų2054.7 Ų54.711%0.10730%0.297CS..  trans-58.3147.6-168.2-154.310000114.7M174 M175 P180 R189 L260M174-D178 VanDerWaalsContact O-CB 3.32Å; M174-D178 WeakPolarHBondContact O-CB 3.31Å; M174-D178 PolarHBondContact O-N 3.46Å; M175-D178 HydrophobicContact CE-CB 4.36Å; M175-D178 PolarHBondContact O-N 3Å; D178-P180 WeakPolarHBondContact OD1-CD 3.39Å; D178-P180 WeakPolarHBondContact OD2-CD 3.44Å; D178-P180 WeakPolarHBondContact OD2-CG 3.16Å; D178-R189 PolarHBondContact O-NH2 2.94Å; D178-L260 WeakPolarHBondContact OD1-CD2 3.47Å; D178-L260 WeakPolarHBondContact OD2-CD1 3.49Å
179K68.5Low81.4Confident171 Ų17156 Ų5674%0.74330%0.302SS*.SBendtrans-100.2-29.8-176.1-64.4-177.8-176.91750117.4Y181K179-Y181 VanDerWaalsContact C-N 3.27Å; K179-Y181 PolarHBondContact O-N 3.39Å
180P70.3Confident81.1Confident53 Ų5357.7 Ų57.734%0.34432%0.323SS..SBendtrans-72.2-14.6-171.726.2-26.8000114.3D178 P182 L260D178-P180 WeakPolarHBondContact OD1-CD 3.39Å; D178-P180 WeakPolarHBondContact OD2-CD 3.44Å; D178-P180 WeakPolarHBondContact OD2-CG 3.16Å; P180-P182 VanDerWaalsContact C-CD 3.41Å; P180-P182 WeakPolarHBondContact O-CD 3.26Å; P180-L260 HydrophobicContact CG-CD2 4.45Å
181Y75.4Confident81.1Confident12 Ų1257.6 Ų57.65%0.04732%0.319CS..  trans-114.973.5175.3-57.2-86.2000111.1Y7 H11 P12 K179 D183 W184 R189Y7-Y181 HydrophobicContact CD1-CE1 4.35Å; Y7-Y181 AromaticContact CD2-CE1 3.93Å; Y7-Y181 HydrophobicContact CD2-CE1 3.93Å; Y7-Y181 AromaticContact CE1-CE1 3.84Å; Y7-Y181 HydrophobicContact CE1-CE1 3.84Å; Y7-Y181 HydrophobicContact CE2-CD1 4.08Å; Y7-Y181 AromaticContact CE2-CE1 3.38Å; Y7-Y181 HydrophobicContact CE2-CE1 3.38Å; Y7-Y181 AromaticContact CE2-CZ 3.85Å; Y7-Y181 HydrophobicContact CG-CE1 4.38Å; Y7-Y181 AromaticContact CZ-CD1 3.85Å; Y7-Y181 AromaticContact CZ-CE1 3.33Å; Y7-Y181 PolarHBondContact O-OH 2.89Å; H11-Y181 AromaticContact CD2-CD1 3.9Å; H11-Y181 AromaticContact CD2-CE1 3.72Å; P12-Y181 HydrophobicContact CG-CD2 3.71Å; P12-Y181 HydrophobicContact CG-CE2 4.34Å; P12-Y181 HydrophobicContact CG-CG 3.9Å; K179-Y181 VanDerWaalsContact C-N 3.27Å; K179-Y181 PolarHBondContact O-N 3.39Å; Y181-D183 VanDerWaalsContact C-N 3.26Å; Y181-D183 PolarHBondContact O-N 3.39Å; Y181-W184 PolarHBondContact O-N 3.08Å; Y181-R189 PolarHBondContact O-NH1 3.49Å
182P71.9Confident81Confident79 Ų7958 Ų5851%0.51332%0.32SS..THydrogen-bonded Turntrans-66.4-28.1-175.927-35000113P180 K186P180-P182 VanDerWaalsContact C-CD 3.41Å; P180-P182 WeakPolarHBondContact O-CD 3.26Å; P182-K186 WeakPolarHBondContact O-CE 3.33Å
183D79.6Confident80.8Confident124 Ų12462.8 Ų62.866%0.66334%0.34SS*.THydrogen-bonded Turntrans-82.2-15-179.1-68.3-48.4000114.5Y181 K186Y181-D183 VanDerWaalsContact C-N 3.26Å; Y181-D183 PolarHBondContact O-N 3.39Å; D183-K186 VanDerWaalsContact CA-CE 3.46Å; D183-K186 VanDerWaalsContact OD1-CE 3.23Å; D183-K186 WeakPolarHBondContact OD1-CE 3.49Å; D183-K186 IonicContact OD1-NZ 3.4Å; D183-K186 PolarHBondContact OD1-NZ 3.03Å
184W80.8Confident80.9Confident28 Ų2868.8 Ų68.811%0.10637%0.365CS..THydrogen-bonded Turntrans-82.7127.4-177-177.183000111.6H11 P12 W13 M16 M175 L176 Y181 K186 R189H11-W184 AromaticContact CE1-CD1 3.76Å; P12-W184 HydrophobicContact CB-CD2 3.56Å; P12-W184 VanDerWaalsContact CB-CE2 3.49Å; P12-W184 HydrophobicContact CB-CE3 3.73Å; P12-W184 HydrophobicContact CB-CG 4.2Å; P12-W184 HydrophobicContact CB-CH2 3.8Å; P12-W184 HydrophobicContact CB-CZ2 3.64Å; P12-W184 HydrophobicContact CB-CZ3 3.84Å; P12-W184 HydrophobicContact CG-CD2 3.84Å; P12-W184 HydrophobicContact CG-CE3 3.92Å; P12-W184 HydrophobicContact CG-CG 4.15Å; P12-W184 HydrophobicContact CG-CZ3 4.39Å; W13-W184 AromaticContact CD1-CD1 3.8Å; W13-W184 AromaticContact CD1-NE1 3.39Å; W13-W184 AromaticContact CD2-NE1 3.65Å; W13-W184 AromaticContact CE2-NE1 3.21Å; W13-W184 AromaticContact CG-NE1 3.71Å; W13-W184 AromaticContact CZ2-NE1 3.82Å; W13-W184 AromaticContact NE1-CD1 3.45Å; W13-W184 AromaticContact NE1-NE1 3.01Å; M16-W184 HydrophobicContact CE-CH2 4.02Å; M16-W184 HydrophobicContact CE-CZ2 3.52Å; M16-W184 HydrophobicContact SD-CH2 3.99Å; M16-W184 HydrophobicContact SD-CZ2 4.12Å; M175-W184 HydrophobicContact CB-CH2 4.14Å; M175-W184 HydrophobicContact CB-CZ3 4.05Å; L176-W184 HydrophobicContact CD2-CH2 4.44Å; L176-W184 HydrophobicContact CD2-CZ3 4.25Å; Y181-W184 PolarHBondContact O-N 3.08Å; W184-K186 PolarHBondContact O-N 3.28Å; W184-R189 VanDerWaalsContact O-CD 3.31Å; W184-R189 WeakPolarHBondContact O-CD 3.25Å
185G77.8Confident80.9Confident31 Ų3168.4 Ų68.432%0.3238%0.38SS..THydrogen-bonded Turntrans62.530.616700000115.8S187 A188 R189G185-S187 VanDerWaalsContact C-N 3.32Å; G185-S187 PolarHBondContact O-N 3.46Å; G185-S187 VanDerWaalsContact O-N 3.16Å; G185-A188 PolarHBondContact O-N 2.87Å; G185-R189 WeakPolarHBondContact O-CG 3.5Å; G185-R189 PolarHBondContact O-N 2.96Å
186K84.1Confident81.1Confident121 Ų12174.1 Ų74.153%0.52641%0.41SS..Hα-helixtrans-46.2-49.6-172.9-63.2-175.8-174-179.40113.8P182 D183 W184 R189 A190P182-K186 WeakPolarHBondContact O-CE 3.33Å; D183-K186 VanDerWaalsContact CA-CE 3.46Å; D183-K186 VanDerWaalsContact OD1-CE 3.23Å; D183-K186 WeakPolarHBondContact OD1-CE 3.49Å; D183-K186 IonicContact OD1-NZ 3.4Å; D183-K186 PolarHBondContact OD1-NZ 3.03Å; W184-K186 PolarHBondContact O-N 3.28Å; K186-R189 PolarHBondContact O-N 2.76Å; K186-A190 WeakPolarHBondContact O-CB 3.32Å; K186-A190 PolarHBondContact O-N 3.03Å
187S84.3Confident81.3Confident104 Ų10475 Ų7573%0.72742%0.416SS*.Hα-helixtrans-66.4-43.9179.8-51.50000112.7G185 R189 A190 F191G185-S187 VanDerWaalsContact C-N 3.32Å; G185-S187 PolarHBondContact O-N 3.46Å; G185-S187 VanDerWaalsContact O-N 3.16Å; S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 3.36Å; S187-A190 PolarHBondContact O-N 3.32Å; S187-F191 WeakPolarHBondContact O-CB 3.4Å; S187-F191 PolarHBondContact O-N 3.35Å
188A83.3Confident81.6Confident50 Ų5076.6 Ų76.641%0.41342%0.419SS..Hα-helixtrans-64.1-39.617800000111.4L176 G185 F191 W192L176-A188 HydrophobicContact CD2-CB 4.02Å; G185-A188 PolarHBondContact O-N 2.87Å; A188-F191 PolarHBondContact O-N 3.43Å; A188-W192 VanDerWaalsContact O-CB 3.27Å; A188-W192 WeakPolarHBondContact O-CB 3.14Å; A188-W192 PolarHBondContact O-N 3.17Å
189R84.2Confident82.2Confident31 Ų3180.3 Ų80.312%0.11744%0.438CS..Hα-helixtrans-68.4-42.4176.6-66.4-177.864.2-152.3-5.1112.5L176 D178 Y181 W184 G185 K186 S187 F191 W192 K193L176-R189 HydrophobicContact CD2-CG 3.92Å; L176-R189 WeakPolarHBondContact O-CG 3.34Å; L176-R189 PolarHBondContact O-NE 3.45Å; D178-R189 PolarHBondContact O-NH2 2.94Å; Y181-R189 PolarHBondContact O-NH1 3.49Å; W184-R189 VanDerWaalsContact O-CD 3.31Å; W184-R189 WeakPolarHBondContact O-CD 3.25Å; G185-R189 WeakPolarHBondContact O-CG 3.5Å; G185-R189 PolarHBondContact O-N 2.96Å; K186-R189 PolarHBondContact O-N 2.76Å; S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 3.36Å; R189-F191 VanDerWaalsContact C-N 3.3Å; R189-F191 PolarHBondContact O-N 2.83Å; R189-W192 PolarHBondContact O-N 3.43Å; R189-K193 VanDerWaalsContact NH2-NZ 3.17Å; R189-K193 WeakPolarHBondContact O-CB 3.23Å; R189-K193 WeakPolarHBondContact O-CG 3.39Å; R189-K193 PolarHBondContact O-N 2.88Å
190A84.3Confident83.2Confident67 Ų6776.1 Ų76.155%0.55443%0.427SS*.Hα-helixtrans-61.6-40.7175.800000111.4K186 S187 K194K186-A190 WeakPolarHBondContact O-CB 3.32Å; K186-A190 PolarHBondContact O-N 3.03Å; S187-A190 PolarHBondContact O-N 3.32Å; A190-K194 PolarHBondContact O-N 2.94Å
191F87.8Confident84.2Confident111 Ų11175.9 Ų75.949%0.48742%0.422SS..Hα-helixtrans-67-45.4174.1178-111.1000112.4S187 A188 R189 K193 K194 V197 L201S187-F191 WeakPolarHBondContact O-CB 3.4Å; S187-F191 PolarHBondContact O-N 3.35Å; A188-F191 PolarHBondContact O-N 3.43Å; R189-F191 VanDerWaalsContact C-N 3.3Å; R189-F191 PolarHBondContact O-N 2.83Å; F191-K193 VanDerWaalsContact C-N 3.34Å; F191-K193 PolarHBondContact O-N 2.7Å; F191-K194 WeakPolarHBondContact O-CB 3.33Å; F191-K194 PolarHBondContact O-N 2.8Å; F191-K194 VanDerWaalsContact O-N 3.15Å; F191-V197 HydrophobicContact CD1-CG1 4.11Å; F191-V197 HydrophobicContact CD2-CG1 4.47Å; F191-V197 HydrophobicContact CE1-CG1 3.69Å; F191-V197 HydrophobicContact CE2-CG1 4.06Å; F191-V197 HydrophobicContact CE2-CG2 4.43Å; F191-V197 HydrophobicContact CG-CG1 4.5Å; F191-V197 HydrophobicContact CZ-CG1 3.64Å; F191-L201 HydrophobicContact CE1-CD1 3.67Å; F191-L201 HydrophobicContact CZ-CD1 4.29Å
192W86.9Confident84.8Confident15 Ų1577.9 Ų77.96%0.05743%0.431CS..Hα-helixtrans-62-39.4-179.2-165.6-104.8000113.3W169 D173 L176 A188 R189 K194 R198 L201W169-W192 AromaticContact CE2-CH2 3.63Å; W169-W192 HydrophobicContact CH2-CH2 4.34Å; W169-W192 AromaticContact CZ2-CH2 3.42Å; W169-W192 HydrophobicContact CZ2-CH2 3.42Å; W169-W192 VanDerWaalsContact CZ2-CH2 3.42Å; W169-W192 AromaticContact CZ2-CZ3 3.95Å; W169-W192 HydrophobicContact CZ2-CZ3 3.95Å; W169-W192 AromaticContact NE1-CH2 3.54Å; W169-W192 AromaticContact NE1-CZ2 3.88Å; D173-W192 HydrophobicContact CB-CZ2 4.33Å; D173-W192 PolarHBondContact OD1-NE1 3.42Å; L176-W192 HydrophobicContact CB-CB 4.16Å; L176-W192 HydrophobicContact CB-CD2 4.35Å; L176-W192 HydrophobicContact CB-CG 3.78Å; L176-W192 HydrophobicContact CD1-CB 4.11Å; L176-W192 HydrophobicContact CD1-CD2 3.39Å; L176-W192 HydrophobicContact CD1-CE3 3.61Å; L176-W192 HydrophobicContact CD1-CG 3.63Å; L176-W192 HydrophobicContact CD1-CH2 4.47Å; L176-W192 HydrophobicContact CD1-CZ2 4.31Å; L176-W192 HydrophobicContact CD1-CZ3 4.16Å; L176-W192 HydrophobicContact CG-CD2 4.48Å; L176-W192 HydrophobicContact CG-CG 4.28Å; A188-W192 VanDerWaalsContact O-CB 3.27Å; A188-W192 WeakPolarHBondContact O-CB 3.14Å; A188-W192 PolarHBondContact O-N 3.17Å; R189-W192 PolarHBondContact O-N 3.43Å; W192-K194 PolarHBondContact O-N 2.73Å; W192-R198 HydrophobicContact CZ2-CB 4.47Å; W192-R198 HydrophobicContact CZ2-CG 3.9Å; W192-L201 HydrophobicContact CE3-CD1 4.06Å; W192-L201 HydrophobicContact CZ3-CB 4.26Å; W192-L201 HydrophobicContact CZ3-CD1 3.75Å
193K83.5Confident85.8Confident114 Ų11480.2 Ų80.250%0.49643%0.43SS..THydrogen-bonded Turntrans-79.5-3.6179.5-67.8178.8178.1-175.60113.3L176 Q177 R189 F191 G195L176-K193 WeakPolarHBondContact O-CE 3.44Å; Q177-K193 PolarHBondContact O-NZ 2.94Å; R189-K193 VanDerWaalsContact NH2-NZ 3.17Å; R189-K193 WeakPolarHBondContact O-CB 3.23Å; R189-K193 WeakPolarHBondContact O-CG 3.39Å; R189-K193 PolarHBondContact O-N 2.88Å; F191-K193 VanDerWaalsContact C-N 3.34Å; F191-K193 PolarHBondContact O-N 2.7Å; K193-G195 PolarHBondContact O-N 2.96Å
194K87.4Confident86.4Confident147 Ų14777.5 Ų77.564%0.63942%0.418SS*.SBendtrans-81.8107.4-176.6-170.5177.4179.2-179.60111.1A190 F191 W192 N196 V197A190-K194 PolarHBondContact O-N 2.94Å; F191-K194 WeakPolarHBondContact O-CB 3.33Å; F191-K194 PolarHBondContact O-N 2.8Å; F191-K194 VanDerWaalsContact O-N 3.15Å; W192-K194 PolarHBondContact O-N 2.73Å; K194-N196 PolarHBondContact O-N 3.41Å; K194-V197 VanDerWaalsContact O-CB 3.3Å; K194-V197 WeakPolarHBondContact O-CB 3.3Å; K194-V197 WeakPolarHBondContact O-CG2 3.19Å; K194-V197 PolarHBondContact O-N 2.83Å
195G84.9Confident87Confident65 Ų6577.7 Ų77.767%0.6742%0.422SS*.THydrogen-bonded Turntrans53.9-131.4172.200000112.8K193K193-G195 PolarHBondContact O-N 2.96Å
196N88.1Confident87.6Confident122 Ų12277.3 Ų77.365%0.65241%0.413SS*.THydrogen-bonded Turntrans-92.511.1-176.3-64.1-7.3000113.9K194 R198 I199 T200K194-N196 PolarHBondContact O-N 3.41Å; N196-R198 VanDerWaalsContact C-N 3.25Å; N196-R198 PolarHBondContact O-N 3.41Å; N196-I199 PolarHBondContact O-N 2.88Å; N196-I199 VanDerWaalsContact O-N 3.12Å; N196-T200 PolarHBondContact O-N 3.09Å; N196-T200 PolarHBondContact O-OG1 3.35Å
197V88.8Confident87.9Confident33 Ų3377.6 Ų77.620%0.241%0.414CS..Hα-helixtrans-54.9-40.9-176.8168.70000111.8F191 K194 I199 T200 L201F191-V197 HydrophobicContact CD1-CG1 4.11Å; F191-V197 HydrophobicContact CD2-CG1 4.47Å; F191-V197 HydrophobicContact CE1-CG1 3.69Å; F191-V197 HydrophobicContact CE2-CG1 4.06Å; F191-V197 HydrophobicContact CE2-CG2 4.43Å; F191-V197 HydrophobicContact CG-CG1 4.5Å; F191-V197 HydrophobicContact CZ-CG1 3.64Å; K194-V197 VanDerWaalsContact O-CB 3.3Å; K194-V197 WeakPolarHBondContact O-CB 3.3Å; K194-V197 WeakPolarHBondContact O-CG2 3.19Å; K194-V197 PolarHBondContact O-N 2.83Å; V197-I199 PolarHBondContact O-N 2.67Å; V197-T200 PolarHBondContact O-N 2.99Å; V197-L201 HydrophobicContact CG1-CD1 3.45Å; V197-L201 VanDerWaalsContact CG1-CD1 3.45Å; V197-L201 HydrophobicContact CG1-CG 4.05Å; V197-L201 VanDerWaalsContact O-CB 3.26Å; V197-L201 WeakPolarHBondContact O-CB 3.19Å; V197-L201 WeakPolarHBondContact O-CG 3.32Å; V197-L201 PolarHBondContact O-N 3.48Å
198R86.5Confident88.3Confident111 Ų11176.6 Ų76.642%0.41940%0.404SS..Hα-helixtrans-54.3-50.1176.4177.5-177.7178.1-147.3-0.6112.9D173 W192 N196 F202D173-R198 WeakPolarHBondContact OD1-CD 3.32Å; D173-R198 IonicContact OD1-CZ 3.32Å; D173-R198 IonicContact OD1-NE 3.38Å; D173-R198 PolarHBondContact OD1-NE 3.23Å; D173-R198 IonicContact OD1-NH2 3.06Å; D173-R198 IonicContact OD2-CZ 2.76Å; D173-R198 IonicContact OD2-NE 3.48Å; D173-R198 PolarHBondContact OD2-NE 2.88Å; D173-R198 IonicContact OD2-NH2 3.98Å; D173-R198 PolarHBondContact OD2-NH2 3.38Å; W192-R198 HydrophobicContact CZ2-CB 4.47Å; W192-R198 HydrophobicContact CZ2-CG 3.9Å; N196-R198 VanDerWaalsContact C-N 3.25Å; N196-R198 PolarHBondContact O-N 3.41Å; R198-F202 WeakPolarHBondContact O-CB 3.43Å; R198-F202 PolarHBondContact O-N 3.01Å
199I88.3Confident88.7Confident98 Ų9877.5 Ų77.550%0.50340%0.401SS..Hα-helixtrans-71.1-45.9-175.9-61.3172.9000109.6N196 V197 L201 F202 W203N196-I199 PolarHBondContact O-N 2.88Å; N196-I199 VanDerWaalsContact O-N 3.12Å; V197-I199 PolarHBondContact O-N 2.67Å; I199-L201 PolarHBondContact O-N 2.96Å; I199-F202 PolarHBondContact O-N 2.69Å; I199-W203 PolarHBondContact O-N 3.28Å; I199-W203 VanDerWaalsContact O-N 3.16Å
200T89.8Confident89Confident83 Ų8377.6 Ų77.651%0.50941%0.405SS..Hα-helixtrans-60.3-49178.7-54.70000110.8N196 V197 F202 W203 T204N196-T200 PolarHBondContact O-N 3.09Å; N196-T200 PolarHBondContact O-OG1 3.35Å; V197-T200 PolarHBondContact O-N 2.99Å; T200-F202 PolarHBondContact O-N 3Å; T200-W203 PolarHBondContact O-N 2.83Å; T200-T204 HydrophobicContact CG2-CG2 4.18Å; T200-T204 WeakPolarHBondContact O-CB 3.5Å; T200-T204 VanDerWaalsContact O-CG2 3.28Å; T200-T204 WeakPolarHBondContact O-CG2 3.28Å; T200-T204 PolarHBondContact O-N 3.07Å; T200-T204 PolarHBondContact O-OG1 3.06Å
201L89.8Confident89.2Confident48 Ų4877.6 Ų77.625%0.25140%0.401SS..Hα-helixtrans-61.7-43.7178.9-76.8174000112.4W169 F191 W192 V197 I199 W203 T204 V205W169-L201 HydrophobicContact CZ2-CB 4.47Å; F191-L201 HydrophobicContact CE1-CD1 3.67Å; F191-L201 HydrophobicContact CZ-CD1 4.29Å; W192-L201 HydrophobicContact CE3-CD1 4.06Å; W192-L201 HydrophobicContact CZ3-CB 4.26Å; W192-L201 HydrophobicContact CZ3-CD1 3.75Å; V197-L201 HydrophobicContact CG1-CD1 3.45Å; V197-L201 VanDerWaalsContact CG1-CD1 3.45Å; V197-L201 HydrophobicContact CG1-CG 4.05Å; V197-L201 VanDerWaalsContact O-CB 3.26Å; V197-L201 WeakPolarHBondContact O-CB 3.19Å; V197-L201 WeakPolarHBondContact O-CG 3.32Å; V197-L201 PolarHBondContact O-N 3.48Å; I199-L201 PolarHBondContact O-N 2.96Å; L201-W203 PolarHBondContact O-N 2.97Å; L201-T204 WeakPolarHBondContact CA-OG1 3.48Å; L201-T204 PolarHBondContact O-N 2.88Å; L201-T204 PolarHBondContact O-OG1 2.97Å; L201-T204 VanDerWaalsContact O-OG1 3.1Å; L201-V205 VanDerWaalsContact O-CB 3.22Å; L201-V205 WeakPolarHBondContact O-CB 3.39Å; L201-V205 WeakPolarHBondContact O-CG2 3.07Å; L201-V205 PolarHBondContact O-N 3Å
202F89.7Confident89.3Confident54 Ų5476.2 Ų76.224%0.23740%0.402CS..Hα-helixtrans-52.6-55.5177176.3-96.1000110.9F165 W169 R198 I199 T200 L206F165-F202 HydrophobicContact CE1-CE2 4.45Å; W169-F202 AromaticContact CD1-CD2 3.35Å; W169-F202 AromaticContact CD1-CE2 3.92Å; W169-F202 HydrophobicContact CG-CD2 4.06Å; W169-F202 HydrophobicContact CG-CE2 4.37Å; W169-F202 AromaticContact NE1-CD2 3.51Å; R198-F202 WeakPolarHBondContact O-CB 3.43Å; R198-F202 PolarHBondContact O-N 3.01Å; I199-F202 PolarHBondContact O-N 2.69Å; T200-F202 PolarHBondContact O-N 3Å; F202-L206 HydrophobicContact CE1-CD2 3.91Å; F202-L206 HydrophobicContact CZ-CD2 4.14Å; F202-L206 WeakPolarHBondContact O-CB 3.19Å; F202-L206 PolarHBondContact O-N 3.07Å
203W91.5Very high89.3Confident127 Ų12776.3 Ų76.348%0.48140%0.404SS..Hα-helixtrans-67.6-43.5-177.5-71.1113.9000112.2I199 T200 L201 V205 L206 F207I199-W203 PolarHBondContact O-N 3.28Å; I199-W203 VanDerWaalsContact O-N 3.16Å; T200-W203 PolarHBondContact O-N 2.83Å; L201-W203 PolarHBondContact O-N 2.97Å; W203-V205 VanDerWaalsContact C-N 3.34Å; W203-V205 PolarHBondContact O-N 3.04Å; W203-L206 HydrophobicContact CE3-CD2 3.92Å; W203-L206 HydrophobicContact CZ3-CD2 3.84Å; W203-L206 PolarHBondContact O-N 2.92Å; W203-F207 HydrophobicContact CB-CD2 4.35Å; W203-F207 HydrophobicContact CB-CE2 4.29Å; W203-F207 HydrophobicContact CD2-CE2 4.31Å; W203-F207 HydrophobicContact CE3-CD2 4.31Å; W203-F207 AromaticContact CE3-CE2 3.51Å; W203-F207 HydrophobicContact CE3-CE2 3.51Å; W203-F207 AromaticContact CE3-CZ 3.89Å; W203-F207 HydrophobicContact CE3-CZ 3.89Å; W203-F207 HydrophobicContact CZ3-CE2 4.22Å; W203-F207 HydrophobicContact CZ3-CZ 4.14Å; W203-F207 WeakPolarHBondContact O-CB 3.19Å; W203-F207 WeakPolarHBondContact O-CD2 3.31Å; W203-F207 PolarHBondContact O-N 3.27Å
204T92.9Very high89.5Confident67 Ų6773.2 Ų73.241%0.41139%0.394SS..Hα-helixtrans-63.2-41.3179.655.80000112T200 L201 T208T200-T204 HydrophobicContact CG2-CG2 4.18Å; T200-T204 WeakPolarHBondContact O-CB 3.5Å; T200-T204 VanDerWaalsContact O-CG2 3.28Å; T200-T204 WeakPolarHBondContact O-CG2 3.28Å; T200-T204 PolarHBondContact O-N 3.07Å; T200-T204 PolarHBondContact O-OG1 3.06Å; L201-T204 WeakPolarHBondContact CA-OG1 3.48Å; L201-T204 PolarHBondContact O-N 2.88Å; L201-T204 PolarHBondContact O-OG1 2.97Å; L201-T204 VanDerWaalsContact O-OG1 3.1Å; T204-T208 VanDerWaalsContact O-CB 3.32Å; T204-T208 WeakPolarHBondContact O-CB 3.23Å; T204-T208 WeakPolarHBondContact O-CG2 3.36Å; T204-T208 PolarHBondContact O-N 3.47Å; T204-T208 PolarHBondContact O-OG1 2.88Å
205V92.3Very high89.4Confident32 Ų3271.2 Ų71.219%0.19439%0.39CS..Hα-helixtrans-74.1-41.4-179175.30000110.4F165 W169 L201 W203 T208 L209F165-V205 HydrophobicContact CE2-CG1 3.83Å; F165-V205 HydrophobicContact CZ-CB 4.46Å; F165-V205 HydrophobicContact CZ-CG1 3.9Å; W169-V205 HydrophobicContact CH2-CB 4.08Å; W169-V205 HydrophobicContact CH2-CG1 3.93Å; W169-V205 HydrophobicContact CH2-CG2 3.97Å; W169-V205 HydrophobicContact CZ2-CB 4.42Å; W169-V205 HydrophobicContact CZ2-CG2 4.44Å; W169-V205 HydrophobicContact CZ3-CG1 3.91Å; L201-V205 VanDerWaalsContact O-CB 3.22Å; L201-V205 WeakPolarHBondContact O-CB 3.39Å; L201-V205 WeakPolarHBondContact O-CG2 3.07Å; L201-V205 PolarHBondContact O-N 3Å; W203-V205 VanDerWaalsContact C-N 3.34Å; W203-V205 PolarHBondContact O-N 3.04Å; V205-T208 WeakPolarHBondContact CA-OG1 3.47Å; V205-T208 PolarHBondContact O-N 2.74Å; V205-T208 PolarHBondContact O-OG1 3.47Å; V205-L209 HydrophobicContact CG1-CD1 3.44Å; V205-L209 VanDerWaalsContact CG1-CD1 3.44Å; V205-L209 HydrophobicContact CG1-CG 4.03Å; V205-L209 VanDerWaalsContact O-CB 3.32Å; V205-L209 WeakPolarHBondContact O-CB 3.37Å; V205-L209 WeakPolarHBondContact O-CG 3.35Å; V205-L209 PolarHBondContact O-N 3.29Å
206L90.5Very high89.4Confident23 Ų2369.4 Ų69.412%0.1237%0.366CS..Hα-helixtrans-57.3-52.9175.7176.764.9000111F165 F202 W203 T210F165-L206 HydrophobicContact CD1-CD1 3.35Å; F165-L206 HydrophobicContact CD1-CG 4.5Å; F165-L206 HydrophobicContact CE1-CB 3.67Å; F165-L206 HydrophobicContact CE1-CD1 3.38Å; F165-L206 HydrophobicContact CE1-CG 4.09Å; F165-L206 HydrophobicContact CG-CD1 4.35Å; F165-L206 HydrophobicContact CZ-CB 4.1Å; F165-L206 HydrophobicContact CZ-CD1 4.39Å; F202-L206 HydrophobicContact CE1-CD2 3.91Å; F202-L206 HydrophobicContact CZ-CD2 4.14Å; F202-L206 WeakPolarHBondContact O-CB 3.19Å; F202-L206 PolarHBondContact O-N 3.07Å; W203-L206 HydrophobicContact CE3-CD2 3.92Å; W203-L206 HydrophobicContact CZ3-CD2 3.84Å; W203-L206 PolarHBondContact O-N 2.92Å; L206-T210 WeakPolarHBondContact O-CB 3.43Å; L206-T210 PolarHBondContact O-N 2.82Å; L206-T210 PolarHBondContact O-OG1 2.84Å
207F91.5Very high89.1Confident127 Ų12763.9 Ų63.956%0.55734%0.337SS*.Hα-helixtrans-67-42.2-177.6-74.8-60.4000112.4W203 S211W203-F207 HydrophobicContact CB-CD2 4.35Å; W203-F207 HydrophobicContact CB-CE2 4.29Å; W203-F207 HydrophobicContact CD2-CE2 4.31Å; W203-F207 HydrophobicContact CE3-CD2 4.31Å; W203-F207 AromaticContact CE3-CE2 3.51Å; W203-F207 HydrophobicContact CE3-CE2 3.51Å; W203-F207 AromaticContact CE3-CZ 3.89Å; W203-F207 HydrophobicContact CE3-CZ 3.89Å; W203-F207 HydrophobicContact CZ3-CE2 4.22Å; W203-F207 HydrophobicContact CZ3-CZ 4.14Å; W203-F207 WeakPolarHBondContact O-CB 3.19Å; W203-F207 WeakPolarHBondContact O-CD2 3.31Å; W203-F207 PolarHBondContact O-N 3.27Å; F207-S211 VanDerWaalsContact O-CB 3.3Å; F207-S211 WeakPolarHBondContact O-CB 3.45Å; F207-S211 PolarHBondContact O-N 2.9Å; F207-S211 PolarHBondContact O-OG 3.14Å
208T92.8Very high88.6Confident83 Ų8366 Ų6651%0.50935%0.35SS..Hα-helixtrans-68-50.9-179.251.70000111.8T204 V205 S211 V212T204-T208 VanDerWaalsContact O-CB 3.32Å; T204-T208 WeakPolarHBondContact O-CB 3.23Å; T204-T208 WeakPolarHBondContact O-CG2 3.36Å; T204-T208 PolarHBondContact O-N 3.47Å; T204-T208 PolarHBondContact O-OG1 2.88Å; V205-T208 WeakPolarHBondContact CA-OG1 3.47Å; V205-T208 PolarHBondContact O-N 2.74Å; V205-T208 PolarHBondContact O-OG1 3.47Å; T208-S211 PolarHBondContact O-N 3.42Å; T208-V212 WeakPolarHBondContact O-CG2 3.35Å; T208-V212 PolarHBondContact O-N 3.26Å
209L90.2Very high88Confident70 Ų7065 Ų6537%0.36636%0.356SS..Hα-helixtrans-67.3-39.4180-67.6177.3000112.2W161 F165 V205 S211 V212 V213W161-L209 HydrophobicContact CH2-CB 4.05Å; W161-L209 HydrophobicContact CH2-CD1 4.25Å; W161-L209 HydrophobicContact CZ2-CB 3.56Å; W161-L209 HydrophobicContact CZ2-CD1 4.41Å; F165-L209 HydrophobicContact CD2-CD1 4.28Å; F165-L209 HydrophobicContact CE2-CD1 3.82Å; V205-L209 HydrophobicContact CG1-CD1 3.44Å; V205-L209 VanDerWaalsContact CG1-CD1 3.44Å; V205-L209 HydrophobicContact CG1-CG 4.03Å; V205-L209 VanDerWaalsContact O-CB 3.32Å; V205-L209 WeakPolarHBondContact O-CB 3.37Å; V205-L209 WeakPolarHBondContact O-CG 3.35Å; V205-L209 PolarHBondContact O-N 3.29Å; L209-S211 VanDerWaalsContact C-N 3.3Å; L209-S211 PolarHBondContact O-N 2.88Å; L209-V212 PolarHBondContact O-N 3.49Å; L209-V213 WeakPolarHBondContact O-CB 3.42Å; L209-V213 WeakPolarHBondContact O-CG2 3.49Å; L209-V213 PolarHBondContact O-N 3.28Å
210T90.8Very high86.9Confident32 Ų3263.6 Ų63.620%0.19635%0.35CS..Hα-helixtrans-62.9-39.3175.2-56.40000111.2W161 L206 V213 V214W161-T210 PolarHBondContact NE1-OG1 3.47Å; L206-T210 WeakPolarHBondContact O-CB 3.43Å; L206-T210 PolarHBondContact O-N 2.82Å; L206-T210 PolarHBondContact O-OG1 2.84Å; T210-V213 PolarHBondContact O-N 2.87Å; T210-V214 HydrophobicContact CG2-CG2 4.19Å; T210-V214 WeakPolarHBondContact O-CB 3.49Å; T210-V214 WeakPolarHBondContact O-CG2 3.38Å; T210-V214 PolarHBondContact O-N 3.49Å
211S89.6Confident85.6Confident68 Ų6869.7 Ų69.748%0.47636%0.363SS..Hα-helixtrans-62.5-44.3174.8-59.80000111.7F207 T208 L209 L215F207-S211 VanDerWaalsContact O-CB 3.3Å; F207-S211 WeakPolarHBondContact O-CB 3.45Å; F207-S211 PolarHBondContact O-N 2.9Å; F207-S211 PolarHBondContact O-OG 3.14Å; T208-S211 PolarHBondContact O-N 3.42Å; L209-S211 VanDerWaalsContact C-N 3.3Å; L209-S211 PolarHBondContact O-N 2.88Å; S211-L215 WeakPolarHBondContact O-CB 3.3Å; S211-L215 VanDerWaalsContact O-CG 3.23Å; S211-L215 WeakPolarHBondContact O-CG 3.4Å; S211-L215 PolarHBondContact O-N 3.42Å
212V89.1Confident84.2Confident82 Ų8270.4 Ų70.450%0.49737%0.367SS..Hα-helixtrans-62.6-47.4176.9172.10000111.1T208 L209 L215 V216T208-V212 WeakPolarHBondContact O-CG2 3.35Å; T208-V212 PolarHBondContact O-N 3.26Å; L209-V212 PolarHBondContact O-N 3.49Å; V212-L215 PolarHBondContact O-N 2.63Å; V212-V216 HydrophobicContact CG1-CG2 4.35Å; V212-V216 VanDerWaalsContact O-CG2 3.29Å; V212-V216 WeakPolarHBondContact O-CG2 3.33Å; V212-V216 PolarHBondContact O-N 3.25Å
213V87.4Confident82.9Confident17 Ų1770.5 Ų70.510%0.10337%0.374CS..Hα-helixtrans-63.9-45.5-179.5167.70000111.2F27 W161 L209 T210 L215 V216 I217F27-V213 HydrophobicContact CE1-CG1 4.01Å; F27-V213 HydrophobicContact CZ-CG1 3.72Å; F27-V213 HydrophobicContact CZ-CG2 4.15Å; W161-V213 HydrophobicContact CB-CG1 4.01Å; W161-V213 HydrophobicContact CD2-CB 4.14Å; W161-V213 HydrophobicContact CD2-CG1 3.96Å; W161-V213 HydrophobicContact CD2-CG2 3.71Å; W161-V213 HydrophobicContact CE3-CG2 3.93Å; W161-V213 HydrophobicContact CG-CB 4.2Å; W161-V213 HydrophobicContact CG-CG1 3.64Å; W161-V213 HydrophobicContact CG-CG2 4.28Å; W161-V213 HydrophobicContact CH2-CG2 4.03Å; W161-V213 HydrophobicContact CZ2-CG2 3.87Å; W161-V213 HydrophobicContact CZ3-CG2 4.05Å; L209-V213 WeakPolarHBondContact O-CB 3.42Å; L209-V213 WeakPolarHBondContact O-CG2 3.49Å; L209-V213 PolarHBondContact O-N 3.28Å; T210-V213 PolarHBondContact O-N 2.87Å; V213-L215 VanDerWaalsContact C-N 3.32Å; V213-L215 PolarHBondContact O-N 3.41Å; V213-V216 PolarHBondContact O-N 3.45Å; V213-I217 HydrophobicContact CG1-CD1 3.54Å; V213-I217 HydrophobicContact CG1-CG1 4.28Å; V213-I217 WeakPolarHBondContact O-CB 3.3Å; V213-I217 VanDerWaalsContact O-CG1 3.28Å; V213-I217 WeakPolarHBondContact O-CG1 3.49Å; V213-I217 PolarHBondContact O-N 3.44Å
214V87.4Confident81.4Confident48 Ų4866.5 Ų66.529%0.29136%0.359SS..Hα-helixtrans-57.7-47.5174.8169.70000110V158 T210 V216 I217 T218V158-V214 HydrophobicContact CG1-CG2 3.86Å; V158-V214 HydrophobicContact CG2-CG2 3.94Å; T210-V214 HydrophobicContact CG2-CG2 4.19Å; T210-V214 WeakPolarHBondContact O-CB 3.49Å; T210-V214 WeakPolarHBondContact O-CG2 3.38Å; T210-V214 PolarHBondContact O-N 3.49Å; V214-V216 PolarHBondContact O-N 3.49Å; V214-I217 PolarHBondContact O-N 3.05Å; V214-T218 HydrophobicContact CG1-CG2 4.02Å; V214-T218 WeakPolarHBondContact O-CB 3.05Å; V214-T218 VanDerWaalsContact O-CG2 3.25Å; V214-T218 WeakPolarHBondContact O-CG2 3.23Å; V214-T218 PolarHBondContact O-N 3.29Å; V214-T218 PolarHBondContact O-OG1 2.88Å
215L86.4Confident79.8Confident105 Ų10568 Ų6855%0.5536%0.364SS..Hα-helixtrans-59.9-43177.6-75.4169.1000112.7S211 V212 V213 T218 T219S211-L215 WeakPolarHBondContact O-CB 3.3Å; S211-L215 VanDerWaalsContact O-CG 3.23Å; S211-L215 WeakPolarHBondContact O-CG 3.4Å; S211-L215 PolarHBondContact O-N 3.42Å; V212-L215 PolarHBondContact O-N 2.63Å; V213-L215 VanDerWaalsContact C-N 3.32Å; V213-L215 PolarHBondContact O-N 3.41Å; L215-T218 PolarHBondContact O-OG1 3.3Å; L215-T219 WeakPolarHBondContact O-CB 3.46Å; L215-T219 PolarHBondContact O-N 2.9Å; L215-T219 PolarHBondContact O-OG1 2.87Å
216V83.5Confident78.3Confident28 Ų2873.8 Ų73.817%0.1739%0.387CS..Hα-helixtrans-63.9-44.1178.6170.10000111V212 V213 V214 D220 W221 I222V212-V216 HydrophobicContact CG1-CG2 4.35Å; V212-V216 VanDerWaalsContact O-CG2 3.29Å; V212-V216 WeakPolarHBondContact O-CG2 3.33Å; V212-V216 PolarHBondContact O-N 3.25Å; V213-V216 PolarHBondContact O-N 3.45Å; V214-V216 PolarHBondContact O-N 3.49Å; V216-D220 PolarHBondContact O-N 3.09Å; V216-W221 HydrophobicContact CG2-CE3 4.41Å; V216-I222 HydrophobicContact CG1-CD1 3.97Å; V216-I222 HydrophobicContact CG1-CG1 4.38Å
217I81.5Confident76.8Confident6 Ų678.2 Ų78.23%0.03141%0.41CS..Hα-helixtrans-69.4-40.9179.1-66.4168.4000111.3F27 K154 A157 V158 V213 V214F27-I217 HydrophobicContact CE1-CD1 4.25Å; K154-I217 HydrophobicContact CB-CG2 3.76Å; K154-I217 HydrophobicContact CD-CG2 4.46Å; K154-I217 WeakPolarHBondContact CE-O 3.32Å; K154-I217 HydrophobicContact CG-CG2 3.71Å; A157-I217 HydrophobicContact CB-CD1 3.91Å; V158-I217 HydrophobicContact CG2-CD1 3.74Å; V158-I217 HydrophobicContact CG2-CG2 4.5Å; V213-I217 HydrophobicContact CG1-CD1 3.54Å; V213-I217 HydrophobicContact CG1-CG1 4.28Å; V213-I217 WeakPolarHBondContact O-CB 3.3Å; V213-I217 VanDerWaalsContact O-CG1 3.28Å; V213-I217 WeakPolarHBondContact O-CG1 3.49Å; V213-I217 PolarHBondContact O-N 3.44Å; V214-I217 PolarHBondContact O-N 3.05Å
218T79.3Confident75.1Confident77 Ų7773.2 Ų73.247%0.47239%0.389SS..Hα-helixtrans-79.5-33.3-17558.60000113.2V214 L215 D220V214-T218 HydrophobicContact CG1-CG2 4.02Å; V214-T218 WeakPolarHBondContact O-CB 3.05Å; V214-T218 VanDerWaalsContact O-CG2 3.25Å; V214-T218 WeakPolarHBondContact O-CG2 3.23Å; V214-T218 PolarHBondContact O-N 3.29Å; V214-T218 PolarHBondContact O-OG1 2.88Å; L215-T218 PolarHBondContact O-OG1 3.3Å; T218-D220 VanDerWaalsContact C-N 3.31Å
219T73.3Confident73.3Confident89 Ų8979.5 Ų79.555%0.54640%0.404SS..THydrogen-bonded Turntrans-87.6-5-175-43.10000111.9L215 W221L215-T219 WeakPolarHBondContact O-CB 3.46Å; L215-T219 PolarHBondContact O-N 2.9Å; L215-T219 PolarHBondContact O-OG1 2.87Å; T219-W221 PolarHBondContact O-N 2.9Å
220D66.7Low71.6Confident70 Ų7079.9 Ų79.937%0.37442%0.424SS..THydrogen-bonded Turntrans47.333.4-172.3-59.8-45000111.9K154 V216 T218 I222K154-D220 VanDerWaalsContact CE-OD1 3.23Å; K154-D220 WeakPolarHBondContact CE-OD1 3.41Å; K154-D220 VanDerWaalsContact NZ-CG 3.31Å; K154-D220 IonicContact NZ-OD1 2.8Å; K154-D220 PolarHBondContact NZ-OD1 3.16Å; K154-D220 IonicContact NZ-OD2 2.73Å; K154-D220 PolarHBondContact NZ-OD2 3.5Å; V216-D220 PolarHBondContact O-N 3.09Å; T218-D220 VanDerWaalsContact C-N 3.31Å; D220-I222 CarbonylContact O-C 3.59Å; D220-I222 PolarHBondContact O-N 3.28Å
221W60.7Low69.7Low211 Ų21187 Ų8780%0.79945%0.453SS*.  trans-62.9-31.5-169.2-173.427.7000111.5V216 T219V216-W221 HydrophobicContact CG2-CE3 4.41Å; T219-W221 PolarHBondContact O-N 2.9Å
222I61.8Low67.9Low63 Ų6387.3 Ų87.332%0.32345%0.449SS..SBendtrans-97.4110169.2-60.2173.8000106.9V216 D220 W224V216-I222 HydrophobicContact CG1-CD1 3.97Å; V216-I222 HydrophobicContact CG1-CG1 4.38Å; D220-I222 CarbonylContact O-C 3.59Å; D220-I222 PolarHBondContact O-N 3.28Å; I222-W224 VanDerWaalsContact C-N 3.26Å; I222-W224 HydrophobicContact CB-CD2 4.48Å; I222-W224 HydrophobicContact CB-CZ2 4.4Å; I222-W224 HydrophobicContact CD1-CZ2 4.31Å; I222-W224 HydrophobicContact CG2-CD2 3.86Å; I222-W224 HydrophobicContact CG2-CE3 4.06Å; I222-W224 HydrophobicContact CG2-CG 4.32Å; I222-W224 HydrophobicContact CG2-CZ2 4.31Å; I222-W224 HydrophobicContact CG2-CZ3 4.41Å; I222-W224 PolarHBondContact O-N 3.48Å
223S62Low66.2Low56 Ų5688 Ų8839%0.39246%0.455SS..  trans-71.487.8168.2580000108.7D225 K226 L227S223-D225 PolarHBondContact O-N 2.7Å; S223-K226 WeakPolarHBondContact O-CB 3.37Å; S223-K226 PolarHBondContact O-N 2.82Å; S223-K226 WeakPolarHBondContact OG-CB 3.37Å; S223-K226 WeakPolarHBondContact OG-CD 3.18Å; S223-K226 WeakPolarHBondContact OG-CG 3.02Å; S223-L227 PolarHBondContact O-N 3.06Å
224W60.5Low64.8Low43 Ų4391 Ų9116%0.16348%0.477CS..Hα-helixtrans-53.2-35.9-179.1-66.1105000112.3A31 I222 K226 L227 N228A31-W224 HydrophobicContact CB-CB 3.79Å; A31-W224 HydrophobicContact CB-CD2 3.61Å; A31-W224 HydrophobicContact CB-CE3 3.29Å; A31-W224 HydrophobicContact CB-CG 3.84Å; A31-W224 HydrophobicContact CB-CZ3 4.03Å; I222-W224 VanDerWaalsContact C-N 3.26Å; I222-W224 HydrophobicContact CB-CD2 4.48Å; I222-W224 HydrophobicContact CB-CZ2 4.4Å; I222-W224 HydrophobicContact CD1-CZ2 4.31Å; I222-W224 HydrophobicContact CG2-CD2 3.86Å; I222-W224 HydrophobicContact CG2-CE3 4.06Å; I222-W224 HydrophobicContact CG2-CG 4.32Å; I222-W224 HydrophobicContact CG2-CZ2 4.31Å; I222-W224 HydrophobicContact CG2-CZ3 4.41Å; I222-W224 PolarHBondContact O-N 3.48Å; W224-K226 VanDerWaalsContact C-N 3.28Å; W224-K226 PolarHBondContact O-N 3.42Å; W224-L227 HydrophobicContact CE3-CD2 4.4Å; W224-L227 HydrophobicContact CZ3-CD2 4.4Å; W224-L227 WeakPolarHBondContact O-CB 3.44Å; W224-L227 PolarHBondContact O-N 3.35Å; W224-N228 WeakPolarHBondContact O-CB 3.32Å; W224-N228 PolarHBondContact O-N 2.82Å
225D58.8Low63.8Low98 Ų9893.5 Ų93.552%0.52449%0.488SS..Hα-helixtrans-53.7-39171.1-74.7-22.8000114S223 R229S223-D225 PolarHBondContact O-N 2.7Å; D225-R229 WeakPolarHBondContact O-CG 2.77Å; D225-R229 PolarHBondContact O-N 3.46Å
226K60.1Low63.3Low154 Ų15496 Ų9667%0.6750%0.497SS*.Hα-helixtrans-77-31.7178.2-65.8-171.7-171.41660111.8S223 W224 N228S223-K226 WeakPolarHBondContact O-CB 3.37Å; S223-K226 PolarHBondContact O-N 2.82Å; S223-K226 WeakPolarHBondContact OG-CB 3.37Å; S223-K226 WeakPolarHBondContact OG-CD 3.18Å; S223-K226 WeakPolarHBondContact OG-CG 3.02Å; W224-K226 VanDerWaalsContact C-N 3.28Å; W224-K226 PolarHBondContact O-N 3.42Å; K226-N228 VanDerWaalsContact C-N 3.32Å
227L59.3Low63.1Low116 Ų116100.1 Ų100.161%0.60752%0.522SS*.Hα-helixtrans-72-31.5177.1-144.895.6000111.3S223 W224S223-L227 PolarHBondContact O-N 3.06Å; W224-L227 HydrophobicContact CE3-CD2 4.4Å; W224-L227 HydrophobicContact CZ3-CD2 4.4Å; W224-L227 WeakPolarHBondContact O-CB 3.44Å; W224-L227 PolarHBondContact O-N 3.35Å
228N55.3Low63Low22 Ų22100.5 Ų100.512%0.11853%0.526CS..SBendtrans-88.2-7.8-177.6-156.416.2000114W224 K226 G230 F231W224-N228 WeakPolarHBondContact O-CB 3.32Å; W224-N228 PolarHBondContact O-N 2.82Å; K226-N228 VanDerWaalsContact C-N 3.32Å; N228-G230 VanDerWaalsContact C-N 3.31Å; N228-G230 PolarHBondContact O-N 2.8Å; N228-F231 PolarHBondContact O-N 2.7Å
229R55Low63.2Low215 Ų215100.7 Ų100.781%0.81152%0.518SS*.THydrogen-bonded Turntrans-64.688.1174.5-86.9178.2-176.4-170.90.3110.8D225D225-R229 WeakPolarHBondContact O-CG 2.77Å; D225-R229 PolarHBondContact O-N 3.46Å
230G54.2Low63.8Low77 Ų7799.1 Ų99.179%0.79451%0.514SS*.THydrogen-bonded Turntrans112-0.9170.100000116.3N228N228-G230 VanDerWaalsContact C-N 3.31Å; N228-G230 PolarHBondContact O-N 2.8Å
231F51.3Low64.7Low182 Ų182102 Ų10280%0.79852%0.523SS*.THydrogen-bonded Turntrans-84.4-37.6177.6-117.9-90.4000112.5N228N228-F231 PolarHBondContact O-N 2.7Å
232L51.6Low65.9Low75 Ų7592.5 Ų92.539%0.39349%0.488SS..SBendtrans-149.8131.4172.6-84.2152.6000108.3S234L232-S234 PolarHBondContact O-N 2.86Å
233P53.3Low67.2Low95 Ų9591.5 Ų91.562%0.61749%0.489SS*.  trans-59.3127.2166.524.9-29.8000107.8D235 S238P233-D235 PolarHBondContact O-N 3.42Å; P233-S238 PolarHBondContact O-OG 2.82Å; P233-S238 VanDerWaalsContact O-OG 3.09Å
234S58.5Low68.5Low82 Ų8292 Ų9257%0.57349%0.493SS*.  trans-70.261.9-177.8-50.30000111.7L232L232-S234 PolarHBondContact O-N 2.86Å
235D67.4Low69.8Low99 Ų9993.9 Ų93.953%0.52950%0.502SS..  trans-90.9150.4175-75-29.6000109.2P233 V237 S238 R239P233-D235 PolarHBondContact O-N 3.42Å; D235-V237 PolarHBondContact O-N 3.28Å; D235-S238 PolarHBondContact N-OG 2.98Å; D235-S238 PolarHBondContact O-N 3.19Å; D235-S238 PolarHBondContact O-OG 3.14Å; D235-R239 PolarHBondContact O-N 3.29Å
236E74.5Confident71.2Confident158 Ų15889.8 Ų89.874%0.73848%0.48SS*.Hα-helixtrans-55-26176.9-63-178.2161.900112.7A240E236-A240 WeakPolarHBondContact O-CB 3.4Å; E236-A240 PolarHBondContact O-N 2.94Å
237V80.3Confident72.7Confident114 Ų11487.5 Ų87.569%0.69147%0.474SS*.Hα-helixtrans-67.6-42.4177.2-178.80000112.4D235 A240 F241D235-V237 PolarHBondContact O-N 3.28Å; V237-A240 PolarHBondContact O-N 3.33Å; V237-F241 VanDerWaalsContact O-CB 3.29Å; V237-F241 WeakPolarHBondContact O-CB 3.47Å; V237-F241 PolarHBondContact O-N 2.86Å
238S80.1Confident74.2Confident15 Ų1585.7 Ų85.711%0.10547%0.468CS..Hα-helixtrans-67.6-42-18051.90000111.1E32 P233 D235 F241 L242E32-S238 VanDerWaalsContact OE1-CB 3.22Å; E32-S238 WeakPolarHBondContact OE1-CB 3.31Å; E32-S238 PolarHBondContact OE1-OG 3.1Å; P233-S238 PolarHBondContact O-OG 2.82Å; P233-S238 VanDerWaalsContact O-OG 3.09Å; D235-S238 PolarHBondContact N-OG 2.98Å; D235-S238 PolarHBondContact O-N 3.19Å; D235-S238 PolarHBondContact O-OG 3.14Å; S238-F241 PolarHBondContact O-N 3.33Å; S238-L242 WeakPolarHBondContact O-CB 3.41Å; S238-L242 PolarHBondContact O-N 3.48Å
239R82.6Confident75.8Confident81 Ų8186.4 Ų86.431%0.30647%0.47SS..Hα-helixtrans-59.7-46.6172.4-76.2171.745.1-134.9-5.4112.5E32 D235 F241 L242 A243E32-R239 HydrophobicContact CB-CG 4.4Å; E32-R239 VanDerWaalsContact CD-CG 3.46Å; E32-R239 HydrophobicContact CG-CG 3.73Å; E32-R239 PolarHBondContact OE1-N 3.04Å; D235-R239 PolarHBondContact O-N 3.29Å; R239-F241 VanDerWaalsContact C-N 3.34Å; R239-F241 PolarHBondContact O-N 2.97Å; R239-L242 PolarHBondContact O-N 2.95Å; R239-A243 WeakPolarHBondContact O-CB 3.35Å; R239-A243 PolarHBondContact O-N 2.99Å
240A84.9Confident77.3Confident56 Ų5679 Ų7946%0.46345%0.447SS..Hα-helixtrans-65-38.4178.400000112.2E236 V237 S244E236-A240 WeakPolarHBondContact O-CB 3.4Å; E236-A240 PolarHBondContact O-N 2.94Å; V237-A240 PolarHBondContact O-N 3.33Å; A240-S244 WeakPolarHBondContact O-CB 3.41Å; A240-S244 PolarHBondContact O-N 3.42Å; A240-S244 PolarHBondContact O-OG 2.86Å
241F86.7Confident78.9Confident129 Ų12979.9 Ų79.957%0.56643%0.433SS*.Hα-helixtrans-64.7-46.8174.5-175.8-99.2000111.2V237 S238 R239 A243 S244 F245V237-F241 VanDerWaalsContact O-CB 3.29Å; V237-F241 WeakPolarHBondContact O-CB 3.47Å; V237-F241 PolarHBondContact O-N 2.86Å; S238-F241 PolarHBondContact O-N 3.33Å; R239-F241 VanDerWaalsContact C-N 3.34Å; R239-F241 PolarHBondContact O-N 2.97Å; F241-A243 PolarHBondContact O-N 3.23Å; F241-S244 WeakPolarHBondContact O-CB 3.48Å; F241-S244 PolarHBondContact O-N 3.26Å; F241-S244 VanDerWaalsContact O-N 3.16Å; F241-F245 AromaticContact CD1-CD2 3.83Å; F241-F245 HydrophobicContact CD1-CD2 3.83Å; F241-F245 AromaticContact CD1-CE2 3.93Å; F241-F245 HydrophobicContact CD1-CE2 3.93Å; F241-F245 HydrophobicContact CD2-CD2 4.35Å; F241-F245 HydrophobicContact CD2-CE2 4.12Å; F241-F245 AromaticContact CE1-CD2 3.57Å; F241-F245 HydrophobicContact CE1-CD2 3.57Å; F241-F245 AromaticContact CE1-CE2 3.23Å; F241-F245 HydrophobicContact CE1-CE2 3.23Å; F241-F245 HydrophobicContact CE1-CG 4.49Å; F241-F245 AromaticContact CE1-CZ 3.86Å; F241-F245 HydrophobicContact CE1-CZ 3.86Å; F241-F245 HydrophobicContact CE2-CD2 4.13Å; F241-F245 AromaticContact CE2-CE2 3.46Å; F241-F245 HydrophobicContact CE2-CE2 3.46Å; F241-F245 VanDerWaalsContact CE2-CE2 3.46Å; F241-F245 HydrophobicContact CE2-CZ 4.38Å; F241-F245 HydrophobicContact CG-CD2 4.25Å; F241-F245 HydrophobicContact CG-CE2 4.35Å; F241-F245 AromaticContact CZ-CD2 3.77Å; F241-F245 HydrophobicContact CZ-CD2 3.77Å; F241-F245 AromaticContact CZ-CE2 2.99Å; F241-F245 HydrophobicContact CZ-CE2 2.99Å; F241-F245 AromaticContact CZ-CZ 3.61Å; F241-F245 HydrophobicContact CZ-CZ 3.61Å; F241-F245 WeakPolarHBondContact O-CD2 3.42Å; F241-F245 PolarHBondContact O-N 3.28Å
242L86.7Confident80.7Confident12 Ų1273.2 Ų73.26%0.06341%0.405CS..Hα-helixtrans-61.4-44177.4-174.861.1000111.9F25 L28 I29 S238 R239 S244 F245 I246F25-L242 HydrophobicContact CB-CD1 4.15Å; F25-L242 HydrophobicContact CD1-CD1 3.83Å; F25-L242 HydrophobicContact CG-CD1 4.25Å; L28-L242 HydrophobicContact CB-CD2 4.11Å; L28-L242 HydrophobicContact CD2-CD1 4.02Å; L28-L242 HydrophobicContact CD2-CD2 4.06Å; L28-L242 HydrophobicContact CG-CD2 3.9Å; I29-L242 HydrophobicContact CB-CD2 3.64Å; I29-L242 HydrophobicContact CB-CG 4.18Å; I29-L242 HydrophobicContact CG1-CD2 4.23Å; S238-L242 WeakPolarHBondContact O-CB 3.41Å; S238-L242 PolarHBondContact O-N 3.48Å; R239-L242 PolarHBondContact O-N 2.95Å; L242-S244 VanDerWaalsContact C-N 3.31Å; L242-S244 PolarHBondContact O-N 3.47Å; L242-F245 WeakPolarHBondContact O-CB 3.45Å; L242-F245 PolarHBondContact O-N 3Å; L242-F245 VanDerWaalsContact O-N 3.16Å; L242-I246 HydrophobicContact CG-CD1 4.28Å; L242-I246 WeakPolarHBondContact O-CG1 3.46Å; L242-I246 PolarHBondContact O-N 3.19Å
243A87.4Confident82.3Confident42 Ų4270.4 Ų70.435%0.34739%0.391SS..Hα-helixtrans-59.5-41.4173.600000112.3I29 R239 F241 F245 I246 L247I29-A243 HydrophobicContact CD1-CB 3.81Å; R239-A243 WeakPolarHBondContact O-CB 3.35Å; R239-A243 PolarHBondContact O-N 2.99Å; F241-A243 PolarHBondContact O-N 3.23Å; A243-F245 VanDerWaalsContact C-N 3.33Å; A243-I246 PolarHBondContact O-N 3.49Å; A243-L247 PolarHBondContact O-N 3.27Å
244S89.1Confident83.7Confident67 Ų6769.6 Ų69.647%0.46938%0.384SS..Hα-helixtrans-65.3-38.1176-58.30000111.7A240 F241 L242 L247 V248A240-S244 WeakPolarHBondContact O-CB 3.41Å; A240-S244 PolarHBondContact O-N 3.42Å; A240-S244 PolarHBondContact O-OG 2.86Å; F241-S244 WeakPolarHBondContact O-CB 3.48Å; F241-S244 PolarHBondContact O-N 3.26Å; F241-S244 VanDerWaalsContact O-N 3.16Å; L242-S244 VanDerWaalsContact C-N 3.31Å; L242-S244 PolarHBondContact O-N 3.47Å; S244-L247 PolarHBondContact O-N 3.04Å; S244-V248 WeakPolarHBondContact O-CG2 3.37Å; S244-V248 PolarHBondContact O-N 3.16Å
245F88.8Confident84.8Confident83 Ų8371.5 Ų71.536%0.36439%0.385SS..Hα-helixtrans-61.9-50.9173.6-97.2-105.7000111.4F241 L242 A243 L247 V248 F249F241-F245 AromaticContact CD1-CD2 3.83Å; F241-F245 HydrophobicContact CD1-CD2 3.83Å; F241-F245 AromaticContact CD1-CE2 3.93Å; F241-F245 HydrophobicContact CD1-CE2 3.93Å; F241-F245 HydrophobicContact CD2-CD2 4.35Å; F241-F245 HydrophobicContact CD2-CE2 4.12Å; F241-F245 AromaticContact CE1-CD2 3.57Å; F241-F245 HydrophobicContact CE1-CD2 3.57Å; F241-F245 AromaticContact CE1-CE2 3.23Å; F241-F245 HydrophobicContact CE1-CE2 3.23Å; F241-F245 HydrophobicContact CE1-CG 4.49Å; F241-F245 AromaticContact CE1-CZ 3.86Å; F241-F245 HydrophobicContact CE1-CZ 3.86Å; F241-F245 HydrophobicContact CE2-CD2 4.13Å; F241-F245 AromaticContact CE2-CE2 3.46Å; F241-F245 HydrophobicContact CE2-CE2 3.46Å; F241-F245 VanDerWaalsContact CE2-CE2 3.46Å; F241-F245 HydrophobicContact CE2-CZ 4.38Å; F241-F245 HydrophobicContact CG-CD2 4.25Å; F241-F245 HydrophobicContact CG-CE2 4.35Å; F241-F245 AromaticContact CZ-CD2 3.77Å; F241-F245 HydrophobicContact CZ-CD2 3.77Å; F241-F245 AromaticContact CZ-CE2 2.99Å; F241-F245 HydrophobicContact CZ-CE2 2.99Å; F241-F245 AromaticContact CZ-CZ 3.61Å; F241-F245 HydrophobicContact CZ-CZ 3.61Å; F241-F245 WeakPolarHBondContact O-CD2 3.42Å; F241-F245 PolarHBondContact O-N 3.28Å; L242-F245 WeakPolarHBondContact O-CB 3.45Å; L242-F245 PolarHBondContact O-N 3Å; L242-F245 VanDerWaalsContact O-N 3.16Å; A243-F245 VanDerWaalsContact C-N 3.33Å; F245-L247 VanDerWaalsContact C-N 3.28Å; F245-L247 PolarHBondContact O-N 3.49Å; F245-V248 PolarHBondContact O-N 3.49Å; F245-V248 VanDerWaalsContact O-N 3.1Å; F245-F249 HydrophobicContact CD1-CD2 4.38Å; F245-F249 AromaticContact CD1-CE2 3.85Å; F245-F249 HydrophobicContact CD1-CE2 3.85Å; F245-F249 HydrophobicContact CE1-CE2 4.39Å; F245-F249 VanDerWaalsContact O-CD2 3.28Å; F245-F249 WeakPolarHBondContact O-CD2 3.41Å; F245-F249 PolarHBondContact O-N 3.37Å
246I89Confident85.5Confident12 Ų1266.9 Ų66.96%0.06236%0.36CS..Hα-helixtrans-52.6-49.5177-67.4159.9000110.2F25 N26 I29 L242 A243 V248 F249 D250F25-I246 HydrophobicContact CB-CD1 4.16Å; F25-I246 HydrophobicContact CB-CG1 3.57Å; N26-I246 WeakPolarHBondContact OD1-CG2 3.36Å; I29-I246 HydrophobicContact CB-CD1 4.04Å; I29-I246 HydrophobicContact CD1-CD1 4.09Å; I29-I246 HydrophobicContact CG2-CD1 3.78Å; L242-I246 HydrophobicContact CG-CD1 4.28Å; L242-I246 WeakPolarHBondContact O-CG1 3.46Å; L242-I246 PolarHBondContact O-N 3.19Å; A243-I246 PolarHBondContact O-N 3.49Å; I246-V248 VanDerWaalsContact C-N 3.35Å; I246-V248 PolarHBondContact O-N 2.95Å; I246-F249 PolarHBondContact O-N 3.07Å; I246-F249 VanDerWaalsContact O-N 3.16Å; I246-D250 PolarHBondContact O-N 2.91Å
247L90.1Very high85.2Confident105 Ų10560.3 Ų60.355%0.5533%0.333SS..Hα-helixtrans-58.4-44.3178.7-177.870.3000112.7A243 S244 F245 D250 L251A243-L247 PolarHBondContact O-N 3.27Å; S244-L247 PolarHBondContact O-N 3.04Å; F245-L247 VanDerWaalsContact C-N 3.28Å; F245-L247 PolarHBondContact O-N 3.49Å; L247-D250 PolarHBondContact O-N 3.44Å; L247-L251 HydrophobicContact CG-CD1 4.36Å; L247-L251 VanDerWaalsContact O-CG 3.32Å; L247-L251 WeakPolarHBondContact O-CG 3.28Å; L247-L251 PolarHBondContact O-N 2.92Å
248V91.1Very high84.3Confident79 Ų7959.1 Ų59.148%0.47932%0.323SS..Hα-helixtrans-63.5-44.1177.8169.70000110.5S244 F245 I246 L251 L252S244-V248 WeakPolarHBondContact O-CG2 3.37Å; S244-V248 PolarHBondContact O-N 3.16Å; F245-V248 PolarHBondContact O-N 3.49Å; F245-V248 VanDerWaalsContact O-N 3.1Å; I246-V248 VanDerWaalsContact C-N 3.35Å; I246-V248 PolarHBondContact O-N 2.95Å; V248-L251 PolarHBondContact O-N 3.35Å; V248-L252 HydrophobicContact CG1-CD1 4.22Å; V248-L252 HydrophobicContact CG1-CG 4.41Å; V248-L252 VanDerWaalsContact O-CG 3.28Å; V248-L252 WeakPolarHBondContact O-CG 3.44Å; V248-L252 PolarHBondContact O-N 2.85Å
249F89.5Confident83.1Confident37 Ų3759 Ų5916%0.16232%0.324CS..Hα-helixtrans-65.6-39178.5-85.1-101.8000112.2V18 L21 V22 F25 F245 I246 L251 L252 I253V18-F249 HydrophobicContact CB-CD1 4.32Å; V18-F249 HydrophobicContact CG1-CB 4.49Å; V18-F249 HydrophobicContact CG1-CD1 3.8Å; V18-F249 HydrophobicContact CG2-CD1 4.35Å; V18-F249 HydrophobicContact CG2-CE1 4.38Å; L21-F249 HydrophobicContact CB-CD1 4.48Å; L21-F249 HydrophobicContact CB-CE1 4.37Å; L21-F249 HydrophobicContact CD1-CE1 3.99Å; V22-F249 HydrophobicContact CG2-CB 3.44Å; V22-F249 VanDerWaalsContact CG2-CB 3.44Å; V22-F249 HydrophobicContact CG2-CG 4.43Å; F25-F249 HydrophobicContact CE2-CD2 4.36Å; F25-F249 HydrophobicContact CE2-CE1 4.46Å; F25-F249 HydrophobicContact CE2-CE2 4.11Å; F25-F249 HydrophobicContact CE2-CZ 4.17Å; F245-F249 HydrophobicContact CD1-CD2 4.38Å; F245-F249 AromaticContact CD1-CE2 3.85Å; F245-F249 HydrophobicContact CD1-CE2 3.85Å; F245-F249 HydrophobicContact CE1-CE2 4.39Å; F245-F249 VanDerWaalsContact O-CD2 3.28Å; F245-F249 WeakPolarHBondContact O-CD2 3.41Å; F245-F249 PolarHBondContact O-N 3.37Å; I246-F249 PolarHBondContact O-N 3.07Å; I246-F249 VanDerWaalsContact O-N 3.16Å; F249-L251 VanDerWaalsContact C-N 3.34Å; F249-L251 PolarHBondContact O-N 2.93Å; F249-L252 WeakPolarHBondContact O-CB 3.27Å; F249-L252 PolarHBondContact O-N 3.01Å; F249-L252 VanDerWaalsContact O-N 3.14Å; F249-I253 WeakPolarHBondContact O-CG1 3.41Å; F249-I253 PolarHBondContact O-N 2.62Å
250D87.1Confident81.6Confident59 Ų5955.6 Ų55.632%0.31631%0.312SS..Hα-helixtrans-59.8-44.5172.3-80.2-19.9000111.8V22 I246 L247 L252 I253 V254V22-D250 WeakPolarHBondContact CG1-OD1 3.35Å; I246-D250 PolarHBondContact O-N 2.91Å; L247-D250 PolarHBondContact O-N 3.44Å; D250-L252 VanDerWaalsContact C-N 3.31Å; D250-L252 PolarHBondContact O-N 3.24Å; D250-I253 WeakPolarHBondContact O-CB 3.42Å; D250-I253 PolarHBondContact O-N 3.23Å; D250-V254 PolarHBondContact O-N 3.39Å
251L87.4Confident79.9Confident96 Ų9656.4 Ų56.450%0.50331%0.311SS..Hα-helixtrans-63.4-37.9174.7-71.7171.5000111.7L247 V248 F249 I253 V254 M255L247-L251 HydrophobicContact CG-CD1 4.36Å; L247-L251 VanDerWaalsContact O-CG 3.32Å; L247-L251 WeakPolarHBondContact O-CG 3.28Å; L247-L251 PolarHBondContact O-N 2.92Å; V248-L251 PolarHBondContact O-N 3.35Å; F249-L251 VanDerWaalsContact C-N 3.34Å; F249-L251 PolarHBondContact O-N 2.93Å; L251-I253 VanDerWaalsContact C-N 3.32Å; L251-I253 PolarHBondContact O-N 3.18Å; L251-V254 PolarHBondContact O-N 2.64Å; L251-M255 WeakPolarHBondContact O-CB 3.38Å; L251-M255 VanDerWaalsContact O-CG 3.29Å; L251-M255 WeakPolarHBondContact O-CG 3.31Å; L251-M255 PolarHBondContact O-N 3.3Å
252L87.9Confident77.9Confident42 Ų4256.8 Ų56.822%0.2232%0.316CS..Hα-helixtrans-61.7-39.7175-71.4172.1000111.5F9 V18 V248 F249 D250 V254 M255 Q256F9-L252 HydrophobicContact CE2-CD2 4.11Å; F9-L252 HydrophobicContact CZ-CD2 3.71Å; V18-L252 HydrophobicContact CG1-CB 4.03Å; V248-L252 HydrophobicContact CG1-CD1 4.22Å; V248-L252 HydrophobicContact CG1-CG 4.41Å; V248-L252 VanDerWaalsContact O-CG 3.28Å; V248-L252 WeakPolarHBondContact O-CG 3.44Å; V248-L252 PolarHBondContact O-N 2.85Å; F249-L252 WeakPolarHBondContact O-CB 3.27Å; F249-L252 PolarHBondContact O-N 3.01Å; F249-L252 VanDerWaalsContact O-N 3.14Å; D250-L252 VanDerWaalsContact C-N 3.31Å; D250-L252 PolarHBondContact O-N 3.24Å; L252-V254 VanDerWaalsContact C-N 3.34Å; L252-V254 PolarHBondContact O-N 2.87Å; L252-M255 PolarHBondContact O-N 3.49Å; L252-Q256 VanDerWaalsContact O-CB 3.28Å; L252-Q256 WeakPolarHBondContact O-CB 3.43Å; L252-Q256 WeakPolarHBondContact O-CG 3.29Å; L252-Q256 PolarHBondContact O-N 3.48Å
253I85.8Confident76Confident16 Ų1660.8 Ų60.88%0.08234%0.335CS..Hα-helixtrans-58.6-48.2174.7-64.2168.9000110V18 A19 V22 T167 V171 F249 D250 L251 Q256 A257V18-I253 HydrophobicContact CG1-CG1 3.69Å; A19-I253 HydrophobicContact CB-CD1 4.22Å; V22-I253 HydrophobicContact CG2-CD1 3.91Å; T167-I253 HydrophobicContact CG2-CD1 4.4Å; T167-I253 HydrophobicContact CG2-CG2 4.23Å; V171-I253 HydrophobicContact CG2-CG2 3.88Å; F249-I253 WeakPolarHBondContact O-CG1 3.41Å; F249-I253 PolarHBondContact O-N 2.62Å; D250-I253 WeakPolarHBondContact O-CB 3.42Å; D250-I253 PolarHBondContact O-N 3.23Å; L251-I253 VanDerWaalsContact C-N 3.32Å; L251-I253 PolarHBondContact O-N 3.18Å; I253-Q256 PolarHBondContact O-N 2.96Å; I253-A257 VanDerWaalsContact O-CB 3.23Å; I253-A257 WeakPolarHBondContact O-CB 3.32Å; I253-A257 PolarHBondContact O-N 3.04Å
254V82.2Confident74Confident78 Ų7863.5 Ų63.547%0.47334%0.343SS..Hα-helixtrans-63.2-44.1179.3176.90000111.3D250 L251 L252 A257 N258D250-V254 PolarHBondContact O-N 3.39Å; L251-V254 PolarHBondContact O-N 2.64Å; L252-V254 VanDerWaalsContact C-N 3.34Å; L252-V254 PolarHBondContact O-N 2.87Å; V254-A257 PolarHBondContact O-N 3.33Å; V254-N258 WeakPolarHBondContact O-CB 3.47Å; V254-N258 PolarHBondContact O-N 3.44Å
255M82.9Confident71.6Confident121 Ų12163.9 Ų63.960%0.59635%0.346SS*.Hα-helixtrans-63.5-43.2178.3-72.9177.967.400112.1L251 L252 A257 G259L251-M255 WeakPolarHBondContact O-CB 3.38Å; L251-M255 VanDerWaalsContact O-CG 3.29Å; L251-M255 WeakPolarHBondContact O-CG 3.31Å; L251-M255 PolarHBondContact O-N 3.3Å; L252-M255 PolarHBondContact O-N 3.49Å; M255-A257 VanDerWaalsContact C-N 3.32Å; M255-G259 PolarHBondContact O-N 3.45Å
256Q80.7Confident69.2Low2 Ų264.6 Ų64.61%0.00936%0.361CS..Hα-helixtrans-69.9-30.3177.8-70.4171.6-10.200111.9F9 R15 L252 I253F9-Q256 HydrophobicContact CD1-CG 3.88Å; F9-Q256 HydrophobicContact CE1-CG 3.32Å; F9-Q256 HydrophobicContact CE2-CG 4.42Å; F9-Q256 HydrophobicContact CZ-CG 3.64Å; F9-Q256 PolarHBondContact O-NE2 3.29Å; R15-Q256 HydrophobicContact CG-CB 4.01Å; R15-Q256 HydrophobicContact CG-CG 4.37Å; R15-Q256 PolarHBondContact NH1-O 3.27Å; R15-Q256 PolarHBondContact NH2-O 3.47Å; L252-Q256 VanDerWaalsContact O-CB 3.28Å; L252-Q256 WeakPolarHBondContact O-CB 3.43Å; L252-Q256 WeakPolarHBondContact O-CG 3.29Å; L252-Q256 PolarHBondContact O-N 3.48Å; I253-Q256 PolarHBondContact O-N 2.96Å
257A68.8Low66.8Low21 Ų2168.4 Ų68.417%0.17439%0.389CS..Hα-helixtrans-74.6-45.1175.800000114.2I253 V254 M255 G259 L260I253-A257 VanDerWaalsContact O-CB 3.23Å; I253-A257 WeakPolarHBondContact O-CB 3.32Å; I253-A257 PolarHBondContact O-N 3.04Å; V254-A257 PolarHBondContact O-N 3.33Å; M255-A257 VanDerWaalsContact C-N 3.32Å; A257-G259 VanDerWaalsContact C-N 3.27Å; A257-G259 PolarHBondContact O-N 3.34Å; A257-L260 PolarHBondContact O-N 3.44Å
258N61.8Low64.2Low89 Ų8970.6 Ų70.648%0.47641%0.413SS..Hα-helixtrans-69.7-23.6-178.2-80.9-24.4000113.9V254 L260 T261 M262V254-N258 WeakPolarHBondContact O-CB 3.47Å; V254-N258 PolarHBondContact O-N 3.44Å; N258-L260 PolarHBondContact O-N 3Å; N258-T261 WeakPolarHBondContact CA-OG1 3.25Å; N258-T261 PolarHBondContact O-OG1 3.41Å; N258-T261 VanDerWaalsContact O-OG1 3.09Å; N258-M262 PolarHBondContact O-N 2.91Å
259G55.5Low62.8Low13 Ų1370.2 Ų70.213%0.13441%0.41CS..Hα-helixtrans-61.1-28.4174.900000113.6M255 A257M255-G259 PolarHBondContact O-N 3.45Å; A257-G259 VanDerWaalsContact C-N 3.27Å; A257-G259 PolarHBondContact O-N 3.34Å
260L50.2Low61.4Low9 Ų971.9 Ų71.95%0.04742%0.423CS..Hα-helixtrans-88.4-31.8-176-122.4146.3000113.4M175 D178 P180 A257 N258 M262 E263 L264M175-L260 HydrophobicContact CE-CD1 4.15Å; D178-L260 WeakPolarHBondContact OD1-CD2 3.47Å; D178-L260 WeakPolarHBondContact OD2-CD1 3.49Å; P180-L260 HydrophobicContact CG-CD2 4.45Å; A257-L260 PolarHBondContact O-N 3.44Å; N258-L260 PolarHBondContact O-N 3Å; L260-M262 VanDerWaalsContact C-N 3.34Å; L260-E263 PolarHBondContact O-N 3.21Å; L260-L264 HydrophobicContact CD2-CD1 4.35Å; L260-L264 PolarHBondContact O-N 3.04Å; L260-L264 VanDerWaalsContact O-N 3.09Å
261T50.4Low60Low73 Ų7372.7 Ų72.745%0.44843%0.429SS..Hα-helixtrans-68.6-32.6174.335.90000112.3N258 S265N258-T261 WeakPolarHBondContact CA-OG1 3.25Å; N258-T261 PolarHBondContact O-OG1 3.41Å; N258-T261 VanDerWaalsContact O-OG1 3.09Å; T261-S265 PolarHBondContact O-N 2.87Å; T261-S265 VanDerWaalsContact O-N 3.14Å
262M44.8Very low58.4Low136 Ų13671.3 Ų71.367%0.6742%0.424SS*.Hα-helixtrans-68-36.7173.3-75.5-165.3-73.700112.8N258 L260 S266N258-M262 PolarHBondContact O-N 2.91Å; L260-M262 VanDerWaalsContact C-N 3.34Å; M262-S266 WeakPolarHBondContact O-CB 3.33Å; M262-S266 PolarHBondContact O-N 3.49Å; M262-S266 VanDerWaalsContact O-N 3.16Å; M262-S266 PolarHBondContact O-OG 2.82Å
263E45.7Very low56.6Low97 Ų9773.1 Ų73.145%0.45344%0.437SS..Hα-helixtrans-69.9-43.6176-75.5-170.216600111.8L260 S265 S266 S267L260-E263 PolarHBondContact O-N 3.21Å; E263-S265 VanDerWaalsContact C-N 3.31Å; E263-S265 PolarHBondContact O-N 3.37Å; E263-S266 WeakPolarHBondContact CA-OG 3.47Å; E263-S266 PolarHBondContact O-N 3.36Å; E263-S266 PolarHBondContact O-OG 3.23Å; E263-S267 PolarHBondContact O-N 3.06Å; E263-S267 PolarHBondContact O-OG 3.32Å
264L44.9Very low54.6Low98 Ų9876.9 Ų76.951%0.51346%0.461SS..Hα-helixtrans-60.2-38.7177.2-77.5164.3000112.6L260 S266 S267L260-L264 HydrophobicContact CD2-CD1 4.35Å; L260-L264 PolarHBondContact O-N 3.04Å; L260-L264 VanDerWaalsContact O-N 3.09Å; L264-S266 VanDerWaalsContact C-N 3.32Å; L264-S267 WeakPolarHBondContact CA-OG 3.43Å; L264-S267 PolarHBondContact O-N 3.49Å; L264-S267 PolarHBondContact O-OG 2.91Å
265S38.8Very low52.7Low76 Ų7676.9 Ų76.953%0.53146%0.46SS..Hα-helixtrans-77-15.6175.91120000114T261 E263 S268T261-S265 PolarHBondContact O-N 2.87Å; T261-S265 VanDerWaalsContact O-N 3.14Å; E263-S265 VanDerWaalsContact C-N 3.31Å; E263-S265 PolarHBondContact O-N 3.37Å; S265-S268 PolarHBondContact O-OG 3.2Å
266S39.1Very low50.3Low97 Ų9773.5 Ų73.568%0.67845%0.449SS*.Hα-helixtrans-89.4-14.7174.272.50000112.7M262 E263 L264M262-S266 WeakPolarHBondContact O-CB 3.33Å; M262-S266 PolarHBondContact O-N 3.49Å; M262-S266 VanDerWaalsContact O-N 3.16Å; M262-S266 PolarHBondContact O-OG 2.82Å; E263-S266 WeakPolarHBondContact CA-OG 3.47Å; E263-S266 PolarHBondContact O-N 3.36Å; E263-S266 PolarHBondContact O-OG 3.23Å; L264-S266 VanDerWaalsContact C-N 3.32Å
267S38.2Very low47.8Very low93 Ų9379.4 Ų79.465%0.6549%0.486SS*.  trans-101.13.8178.7650000114.2E263 L264E263-S267 PolarHBondContact O-N 3.06Å; E263-S267 PolarHBondContact O-OG 3.32Å; L264-S267 WeakPolarHBondContact CA-OG 3.43Å; L264-S267 PolarHBondContact O-N 3.49Å; L264-S267 PolarHBondContact O-OG 2.91Å
268S35.5Very low45.9Very low151 Ų15184.7 Ų84.7100%1.05651%0.514SS*.  trans-1100175.860.90000111.3S265S265-S268 PolarHBondContact O-OG 3.2Å

Retrieved 268 of 268 residues in 60 ms (Link to these results)

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