A0A077Z6D2_TRITR Loading...

Exo endo phos domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6D2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 719 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
1M34.1Very low66Low243 Ų24390.6 Ų90.6100%1.19745%0.451SS*.  0105.70-66.1178.8-168.600107.7Q3M1-Q3 PolarHBondContact O-N 3.06Å
2Q33.6Very low68.3Low195 Ų19584 Ų8491%0.91142%0.419SS*.PPolyproline II helixtrans-58.4125.9175-76173.6-16.800108
3Q40.8Very low70.2Confident113 Ų11378.8 Ų78.853%0.52840%0.395SS..PPolyproline II helixtrans-51.9132176.2-79.9178.7-18.300108.7M1 N5M1-Q3 PolarHBondContact O-N 3.06Å; Q3-N5 PolarHBondContact O-N 3.31Å
4P47.9Very low71.7Confident85 Ų8573.4 Ų73.455%0.55237%0.368SS*.PPolyproline II helixtrans-57.7120.9172.923.3-30000106.9V174P4-V174 HydrophobicContact CB-CG2 4.14Å; P4-V174 HydrophobicContact CG-CG2 4.31Å; P4-V174 WeakPolarHBondContact O-CG1 3.32Å; P4-V174 WeakPolarHBondContact O-CG2 3.44Å
5N59.3Low73.1Confident141 Ų14168.5 Ų68.575%0.75434%0.343SS*.PPolyproline II helixtrans-72.9135.6-178-77-36.2000109.2Q3 S7Q3-N5 PolarHBondContact O-N 3.31Å; N5-S7 PolarHBondContact O-N 2.84Å
6Y70.6Confident74.4Confident17 Ų1766.3 Ų66.37%0.06733%0.33CS..  trans-59.4105.3176.8-177.3-96.4000107.9A11 K124 F127 A128 V174Y6-A11 HydrophobicContact CE1-CB 3.93Å; Y6-K124 HydrophobicContact CD1-CB 4.39Å; Y6-K124 HydrophobicContact CG-CG 4.48Å; Y6-F127 HydrophobicContact CD1-CB 3.49Å; Y6-F127 VanDerWaalsContact CD1-CB 3.49Å; Y6-F127 HydrophobicContact CD1-CG 4.14Å; Y6-F127 HydrophobicContact CE1-CB 3.51Å; Y6-A128 HydrophobicContact CE1-CB 4.41Å; Y6-V174 HydrophobicContact CD2-CB 4.41Å
7S83.9Confident75.5Confident42 Ų4262.6 Ų62.629%0.29431%0.311SS..  trans-91.4152.6-168.368.20000111.6N5 Y9 Q10 A11N5-S7 PolarHBondContact O-N 2.84Å; S7-Y9 PolarHBondContact O-N 2.86Å; S7-Q10 PolarHBondContact O-N 3.06Å; S7-Q10 VanDerWaalsContact OG-CG 3.3Å; S7-Q10 WeakPolarHBondContact OG-CG 3.45Å; S7-Q10 PolarHBondContact OG-N 2.85Å; S7-A11 PolarHBondContact O-N 3.37Å
8L87.5Confident76.3Confident6 Ų660.1 Ų60.13%0.03130%0.298CS..Hα-helixtrans-59.7-36.5175.1-172.167.9000111.8A11 T12 F127 W130 L134 L386 W394L8-A11 PolarHBondContact O-N 3.18Å; L8-T12 WeakPolarHBondContact O-CB 3.41Å; L8-T12 PolarHBondContact O-N 2.77Å; L8-T12 PolarHBondContact O-OG1 2.98Å; L8-F127 HydrophobicContact CB-CD1 3.95Å; L8-F127 HydrophobicContact CB-CE1 4.21Å; L8-F127 HydrophobicContact CD1-CD1 4.23Å; L8-W130 HydrophobicContact CD1-CB 3.75Å; L8-L134 HydrophobicContact CD1-CD1 4.07Å; L8-L134 HydrophobicContact CD2-CD1 3.72Å; L8-L134 HydrophobicContact CG-CD1 3.98Å; L8-L386 HydrophobicContact CB-CD1 4.14Å; L8-L386 HydrophobicContact CD1-CD1 3.91Å; L8-L386 HydrophobicContact CD1-CD2 4.21Å; L8-L386 HydrophobicContact CD2-CD1 3.68Å; L8-L386 HydrophobicContact CG-CD1 4.12Å; L8-W394 HydrophobicContact CD2-CD2 4.42Å; L8-W394 HydrophobicContact CD2-CG 4.2Å
9Y89.5Confident77Confident132 Ų13257.2 Ų57.252%0.51828%0.284SS..Hα-helixtrans-57.4-52.3176.3176.4-96.9000111.9S7 A11 T12 V13 W394S7-Y9 PolarHBondContact O-N 2.86Å; Y9-A11 VanDerWaalsContact C-N 3.32Å; Y9-A11 PolarHBondContact O-N 3.24Å; Y9-T12 WeakPolarHBondContact O-CA 3.34Å; Y9-T12 WeakPolarHBondContact O-CB 3.46Å; Y9-T12 PolarHBondContact O-N 3.27Å; Y9-V13 HydrophobicContact CD1-CG2 4.39Å; Y9-V13 HydrophobicContact CE1-CG2 3.95Å; Y9-V13 HydrophobicContact CE2-CG2 4.33Å; Y9-V13 WeakPolarHBondContact O-CG2 3.05Å; Y9-V13 PolarHBondContact O-N 3.44Å; Y9-W394 HydrophobicContact CD2-CH2 4.31Å
10Q88.5Confident77.6Confident22 Ų2254.4 Ų54.410%0.10327%0.27CS..Hα-helixtrans-61.4-41.5180-71.6175.6-20.200112.2S7 T12 V13 T14 N169 F172 T173S7-Q10 PolarHBondContact O-N 3.06Å; S7-Q10 VanDerWaalsContact OG-CG 3.3Å; S7-Q10 WeakPolarHBondContact OG-CG 3.45Å; S7-Q10 PolarHBondContact OG-N 2.85Å; Q10-T12 VanDerWaalsContact C-N 3.28Å; Q10-T12 PolarHBondContact O-N 3.48Å; Q10-V13 PolarHBondContact O-N 3.42Å; Q10-T14 PolarHBondContact O-N 2.76Å; Q10-T14 PolarHBondContact O-OG1 3.08Å; Q10-T14 VanDerWaalsContact O-OG1 3.09Å; Q10-N169 VanDerWaalsContact CA-OD1 3.26Å; Q10-N169 WeakPolarHBondContact CA-OD1 3.37Å; Q10-N169 WeakPolarHBondContact CB-OD1 3.31Å; Q10-N169 WeakPolarHBondContact CG-OD1 3.42Å; Q10-N169 PolarHBondContact O-ND2 3.31Å; Q10-F172 VanDerWaalsContact NE2-C 3.29Å; Q10-F172 PolarHBondContact NE2-O 3.08Å; Q10-T173 HydrophobicContact CB-CG2 3.95Å; Q10-T173 HydrophobicContact CG-CG2 4.45Å
11A90.1Very high78Confident1 Ų152 Ų521%0.00826%0.258CS..Hα-helixtrans-64.5-34.7175.800000111.9Y6 S7 L8 Y9 G15 F127 G131Y6-A11 HydrophobicContact CE1-CB 3.93Å; S7-A11 PolarHBondContact O-N 3.37Å; L8-A11 PolarHBondContact O-N 3.18Å; Y9-A11 VanDerWaalsContact C-N 3.32Å; Y9-A11 PolarHBondContact O-N 3.24Å; A11-G15 PolarHBondContact O-N 3.01Å; A11-F127 WeakPolarHBondContact CB-O 3.09Å; A11-G131 VanDerWaalsContact C-CA 3.4Å; A11-G131 CarbonylContact O-C 3.58Å; A11-G131 WeakPolarHBondContact O-CA 3.37Å
12T93.4Very high80.2Confident11 Ų1141.5 Ų41.57%0.06721%0.207CC..Hα-helixtrans-69.6-41.3178-58.30000111.5L8 Y9 Q10 G15 Y16 G131 L134 F138L8-T12 WeakPolarHBondContact O-CB 3.41Å; L8-T12 PolarHBondContact O-N 2.77Å; L8-T12 PolarHBondContact O-OG1 2.98Å; Y9-T12 WeakPolarHBondContact O-CA 3.34Å; Y9-T12 WeakPolarHBondContact O-CB 3.46Å; Y9-T12 PolarHBondContact O-N 3.27Å; Q10-T12 VanDerWaalsContact C-N 3.28Å; Q10-T12 PolarHBondContact O-N 3.48Å; T12-G15 PolarHBondContact O-N 3.42Å; T12-Y16 WeakPolarHBondContact O-CB 3.34Å; T12-Y16 PolarHBondContact O-N 2.88Å; T12-G131 WeakPolarHBondContact CA-O 3.47Å; T12-L134 HydrophobicContact CG2-CB 3.79Å; T12-F138 HydrophobicContact CG2-CD2 3.86Å; T12-F138 HydrophobicContact CG2-CE2 4.35Å
13V93.2Very high82.4Confident17 Ų1732.3 Ų32.310%0.10316%0.164CC..Hα-helixtrans-62.4-46.6173.7173.70000111Y9 Q10 G15 Y16 I17 V165 N169Y9-V13 HydrophobicContact CD1-CG2 4.39Å; Y9-V13 HydrophobicContact CE1-CG2 3.95Å; Y9-V13 HydrophobicContact CE2-CG2 4.33Å; Y9-V13 WeakPolarHBondContact O-CG2 3.05Å; Y9-V13 PolarHBondContact O-N 3.44Å; Q10-V13 PolarHBondContact O-N 3.42Å; V13-G15 VanDerWaalsContact C-N 3.3Å; V13-G15 PolarHBondContact O-N 3.47Å; V13-Y16 PolarHBondContact O-N 3.02Å; V13-I17 HydrophobicContact CG1-CD1 4Å; V13-I17 WeakPolarHBondContact O-CG1 3.46Å; V13-I17 PolarHBondContact O-N 2.98Å; V13-I17 VanDerWaalsContact O-N 3.08Å; V13-V165 HydrophobicContact CG1-CG1 3.85Å; V13-V165 HydrophobicContact CG2-CG1 4.34Å; V13-N169 HydrophobicContact CB-CB 4.42Å; V13-N169 HydrophobicContact CG1-CB 3.74Å
14T92.1Very high84.1Confident2 Ų227.5 Ų27.51%0.01214%0.141CC..Hα-helixtrans-58.2-44.4174.7-58.60000111.2Q10 I17 F18 M83 K112 Y132 N169Q10-T14 PolarHBondContact O-N 2.76Å; Q10-T14 PolarHBondContact O-OG1 3.08Å; Q10-T14 VanDerWaalsContact O-OG1 3.09Å; T14-I17 PolarHBondContact O-N 3.13Å; T14-F18 WeakPolarHBondContact O-CB 3.36Å; T14-F18 PolarHBondContact O-N 3.34Å; T14-M83 HydrophobicContact CG2-CE 4.35Å; T14-K112 HydrophobicContact CG2-CG 4.23Å; T14-Y132 HydrophobicContact CG2-CE1 4.48Å; T14-N169 PolarHBondContact OG1-ND2 2.96Å; T14-N169 VanDerWaalsContact OG1-ND2 3.08Å
15G92.5Very high85.2Confident0 Ų024.4 Ų24.40%012%0.119CC..Hα-helixtrans-59.9-46.9175.300000113.2A11 T12 V13 I17 F18 W19A11-G15 PolarHBondContact O-N 3.01Å; T12-G15 PolarHBondContact O-N 3.42Å; V13-G15 VanDerWaalsContact C-N 3.3Å; V13-G15 PolarHBondContact O-N 3.47Å; G15-I17 VanDerWaalsContact C-N 3.34Å; G15-I17 PolarHBondContact O-N 3.47Å; G15-F18 WeakPolarHBondContact O-CB 3.3Å; G15-F18 PolarHBondContact O-N 3.42Å; G15-W19 PolarHBondContact O-N 3.18Å
16Y94Very high85.5Confident34 Ų3417.8 Ų17.813%0.1338%0.084CC..Hα-helixtrans-57.9-46.2179.1-175.2-82.8000111.7T12 V13 T20 F138 L139 S142 I162T12-Y16 WeakPolarHBondContact O-CB 3.34Å; T12-Y16 PolarHBondContact O-N 2.88Å; V13-Y16 PolarHBondContact O-N 3.02Å; Y16-T20 WeakPolarHBondContact O-CB 3.35Å; Y16-T20 PolarHBondContact O-N 2.87Å; Y16-T20 PolarHBondContact O-OG1 3.11Å; Y16-F138 HydrophobicContact CD2-CB 4.16Å; Y16-F138 HydrophobicContact CE2-CB 4.48Å; Y16-L139 HydrophobicContact CD2-CB 4.12Å; Y16-L139 HydrophobicContact CE1-CD1 4.29Å; Y16-L139 HydrophobicContact CE2-CB 4.06Å; Y16-L139 HydrophobicContact CE2-CD1 3.97Å; Y16-S142 WeakPolarHBondContact CE2-OG 3.45Å; Y16-S142 WeakPolarHBondContact OH-CB 3.49Å; Y16-S142 PolarHBondContact OH-OG 2.86Å; Y16-I162 HydrophobicContact CE1-CD1 4.49Å; Y16-I162 HydrophobicContact CE1-CG2 4.41Å
17I92.4Very high85Confident3 Ų317.3 Ų17.32%0.0158%0.084CC..Hα-helixtrans-67.7-42.1179.4-62.6166.6000110.6V13 T14 G15 W19 T20 L21 M83 V84 L87V13-I17 HydrophobicContact CG1-CD1 4Å; V13-I17 WeakPolarHBondContact O-CG1 3.46Å; V13-I17 PolarHBondContact O-N 2.98Å; V13-I17 VanDerWaalsContact O-N 3.08Å; T14-I17 PolarHBondContact O-N 3.13Å; G15-I17 VanDerWaalsContact C-N 3.34Å; G15-I17 PolarHBondContact O-N 3.47Å; I17-W19 PolarHBondContact O-N 3.16Å; I17-T20 PolarHBondContact O-N 3.31Å; I17-L21 HydrophobicContact CG2-CD1 3.94Å; I17-L21 HydrophobicContact CG2-CG 4.34Å; I17-L21 WeakPolarHBondContact O-CG 3.41Å; I17-L21 PolarHBondContact O-N 3.21Å; I17-M83 HydrophobicContact CB-CE 3.88Å; I17-M83 HydrophobicContact CG2-CE 3.59Å; I17-M83 HydrophobicContact CG2-CG 4.48Å; I17-V84 HydrophobicContact CD1-CG2 4.13Å; I17-V84 HydrophobicContact CG2-CG2 4.46Å; I17-L87 HydrophobicContact CG2-CD1 4.26Å
18F90.8Very high83.9Confident17 Ų1715.8 Ų15.88%0.0757%0.072CC..Hα-helixtrans-54.5-52.4175.3171.2-88.8000111.8T14 G15 T20 L21 L22 A109 F113 Y132T14-F18 WeakPolarHBondContact O-CB 3.36Å; T14-F18 PolarHBondContact O-N 3.34Å; G15-F18 WeakPolarHBondContact O-CB 3.3Å; G15-F18 PolarHBondContact O-N 3.42Å; F18-T20 VanDerWaalsContact C-N 3.34Å; F18-T20 PolarHBondContact O-N 3.42Å; F18-L21 PolarHBondContact O-N 2.96Å; F18-L22 HydrophobicContact CE1-CD2 4.34Å; F18-L22 WeakPolarHBondContact O-CB 3.42Å; F18-L22 PolarHBondContact O-N 2.97Å; F18-A109 HydrophobicContact CD2-CB 3.81Å; F18-A109 HydrophobicContact CE2-CB 4.34Å; F18-F113 HydrophobicContact CD2-CB 4.17Å; F18-F113 HydrophobicContact CE1-CD2 4.46Å; F18-F113 HydrophobicContact CE2-CB 3.72Å; F18-F113 HydrophobicContact CE2-CD2 4.14Å; F18-F113 HydrophobicContact CE2-CG 4.03Å; F18-F113 HydrophobicContact CZ-CB 4.39Å; F18-F113 HydrophobicContact CZ-CD2 4.07Å; F18-F113 HydrophobicContact CZ-CG 4.2Å; F18-Y132 HydrophobicContact CB-CD1 4.12Å; F18-Y132 HydrophobicContact CB-CE1 3.78Å; F18-Y132 AromaticContact CD1-CD1 3.97Å; F18-Y132 HydrophobicContact CD1-CD1 3.97Å; F18-Y132 HydrophobicContact CD1-CE1 4.18Å; F18-Y132 HydrophobicContact CD2-CE1 4.1Å; F18-Y132 HydrophobicContact CG-CD1 4.01Å; F18-Y132 AromaticContact CG-CE1 3.75Å; F18-Y132 HydrophobicContact CG-CE1 3.75Å
19W89.7Confident82.5Confident5 Ų516.4 Ų16.42%0.0198%0.075CC..Hα-helixtrans-66.3-36.6179.9-69.7114.3000112.7G15 I17 L22 F23 Y132 L136 L139 L204 W297G15-W19 PolarHBondContact O-N 3.18Å; I17-W19 PolarHBondContact O-N 3.16Å; W19-L22 HydrophobicContact CE3-CD2 3.88Å; W19-L22 HydrophobicContact CZ3-CD2 3.71Å; W19-L22 PolarHBondContact O-N 3.47Å; W19-F23 HydrophobicContact CE3-CE1 4.06Å; W19-F23 HydrophobicContact CE3-CZ 4.16Å; W19-F23 HydrophobicContact CZ3-CE1 4.45Å; W19-F23 WeakPolarHBondContact O-CB 3.26Å; W19-F23 WeakPolarHBondContact O-CG 3.45Å; W19-F23 PolarHBondContact O-N 3.09Å; W19-Y132 PolarHBondContact NE1-O 3.46Å; W19-L136 HydrophobicContact CB-CD1 4.46Å; W19-L136 VanDerWaalsContact CD1-N 3.33Å; W19-L136 HydrophobicContact CD2-CB 4.2Å; W19-L136 HydrophobicContact CD2-CD1 3.94Å; W19-L136 HydrophobicContact CD2-CG 4.49Å; W19-L136 HydrophobicContact CE3-CD1 4.14Å; W19-L136 HydrophobicContact CG-CB 4.09Å; W19-L136 HydrophobicContact CG-CD1 4.06Å; W19-L136 HydrophobicContact CZ2-CD2 4.32Å; W19-L139 HydrophobicContact CB-CD2 3.52Å; W19-L204 HydrophobicContact CH2-CD1 3.87Å; W19-L204 HydrophobicContact CZ3-CD1 3.71Å; W19-W297 AromaticContact CH2-CH2 3.5Å; W19-W297 HydrophobicContact CH2-CH2 3.5Å; W19-W297 HydrophobicContact CH2-CZ2 4.12Å; W19-W297 HydrophobicContact CH2-CZ3 4.04Å; W19-W297 HydrophobicContact CZ2-CH2 4.18Å; W19-W297 HydrophobicContact CZ2-CZ3 4.31Å; W19-W297 HydrophobicContact CZ3-CH2 4.46Å
20T88.6Confident80.8Confident2 Ų210.9 Ų10.91%0.0126%0.056CC..Hα-helixtrans-61.5-44.8176.3-59.60000111.7Y16 I17 F18 R24 L87 L139 V152Y16-T20 WeakPolarHBondContact O-CB 3.35Å; Y16-T20 PolarHBondContact O-N 2.87Å; Y16-T20 PolarHBondContact O-OG1 3.11Å; I17-T20 PolarHBondContact O-N 3.31Å; F18-T20 VanDerWaalsContact C-N 3.34Å; F18-T20 PolarHBondContact O-N 3.42Å; T20-R24 VanDerWaalsContact O-CB 3.24Å; T20-R24 WeakPolarHBondContact O-CB 3.3Å; T20-R24 PolarHBondContact O-N 2.78Å; T20-L87 HydrophobicContact CG2-CD2 4.29Å; T20-L139 WeakPolarHBondContact OG1-CD1 3.22Å; T20-V152 HydrophobicContact CG2-CB 3.66Å; T20-V152 HydrophobicContact CG2-CG1 4.21Å; T20-V152 HydrophobicContact CG2-CG2 3.6Å
21L85.2Confident78.9Confident3 Ų311.7 Ų11.72%0.0166%0.061CC..Hα-helixtrans-66.8-43.2177.5-69.7170.1000111.8I17 F18 R24 L25 M83 L87 A105 V106 A109I17-L21 HydrophobicContact CG2-CD1 3.94Å; I17-L21 HydrophobicContact CG2-CG 4.34Å; I17-L21 WeakPolarHBondContact O-CG 3.41Å; I17-L21 PolarHBondContact O-N 3.21Å; F18-L21 PolarHBondContact O-N 2.96Å; L21-R24 PolarHBondContact O-N 3.32Å; L21-L25 PolarHBondContact O-N 3.07Å; L21-M83 HydrophobicContact CD1-CG 3.52Å; L21-M83 VanDerWaalsContact CD1-O 3.32Å; L21-M83 WeakPolarHBondContact CD1-O 3.32Å; L21-L87 HydrophobicContact CD2-CD2 3.59Å; L21-L87 HydrophobicContact CD2-CG 4.31Å; L21-L87 HydrophobicContact CG-CD2 4.17Å; L21-A105 HydrophobicContact CD1-CB 4.21Å; L21-A105 HydrophobicContact CD2-CB 3.98Å; L21-V106 HydrophobicContact CB-CG2 4.27Å; L21-A109 HydrophobicContact CD1-CB 4.19Å
22L81.5Confident76.9Confident24 Ų2414.4 Ų14.413%0.1267%0.073CC..Hα-helixtrans-61.8-47.2178.5-174.966.8000111.3F18 W19 R24 L25 L204F18-L22 HydrophobicContact CE1-CD2 4.34Å; F18-L22 WeakPolarHBondContact O-CB 3.42Å; F18-L22 PolarHBondContact O-N 2.97Å; W19-L22 HydrophobicContact CE3-CD2 3.88Å; W19-L22 HydrophobicContact CZ3-CD2 3.71Å; W19-L22 PolarHBondContact O-N 3.47Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 2.74Å; L22-L25 PolarHBondContact O-N 3.31Å; L22-L204 HydrophobicContact CD2-CD1 4.04Å
23F79.9Confident74.8Confident2 Ų219.4 Ų19.41%0.00910%0.099CC..Hα-helixtrans-68.6-34.1179.8-69.1-11.5000112.9W19 T26 S27 L136 L139 Y208W19-F23 HydrophobicContact CE3-CE1 4.06Å; W19-F23 HydrophobicContact CE3-CZ 4.16Å; W19-F23 HydrophobicContact CZ3-CE1 4.45Å; W19-F23 WeakPolarHBondContact O-CB 3.26Å; W19-F23 WeakPolarHBondContact O-CG 3.45Å; W19-F23 PolarHBondContact O-N 3.09Å; F23-T26 PolarHBondContact O-N 2.97Å; F23-S27 PolarHBondContact O-OG 3.29Å; F23-L136 HydrophobicContact CE2-CD1 3.87Å; F23-L136 HydrophobicContact CZ-CD1 3.75Å; F23-L139 HydrophobicContact CD2-CD2 3.62Å; F23-L139 HydrophobicContact CE2-CD2 3.82Å; F23-Y208 HydrophobicContact CB-CE2 4.26Å; F23-Y208 AromaticContact CD1-CD2 3.34Å; F23-Y208 HydrophobicContact CD1-CD2 3.34Å; F23-Y208 AromaticContact CD1-CE2 3.57Å; F23-Y208 HydrophobicContact CD1-CE2 3.57Å; F23-Y208 AromaticContact CE1-CD2 3.54Å; F23-Y208 HydrophobicContact CE1-CD2 3.54Å; F23-Y208 HydrophobicContact CE1-CE2 4.21Å; F23-Y208 HydrophobicContact CG-CD2 4.31Å; F23-Y208 HydrophobicContact CG-CE2 4.15Å
24R75.8Confident72.6Confident12 Ų1219.6 Ų19.65%0.04510%0.098CC..Hα-helixtrans-65.2-40.3174.6178.7177167-142.7-10.6112.9T20 L21 L22 T26 S27 T28 G86 S89 W444T20-R24 VanDerWaalsContact O-CB 3.24Å; T20-R24 WeakPolarHBondContact O-CB 3.3Å; T20-R24 PolarHBondContact O-N 2.78Å; L21-R24 PolarHBondContact O-N 3.32Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 2.74Å; R24-T26 PolarHBondContact O-N 3.24Å; R24-S27 PolarHBondContact O-N 3.17Å; R24-T28 PolarHBondContact O-N 2.73Å; R24-T28 VanDerWaalsContact O-N 3.13Å; R24-G86 PolarHBondContact NH1-O 3.01Å; R24-S89 PolarHBondContact NH1-OG 2.84Å; R24-S89 VanDerWaalsContact NH1-OG 3.12Å; R24-S89 PolarHBondContact NH2-OG 3.21Å; R24-W444 VanDerWaalsContact NE-CH2 3.28Å
25L71.6Confident70.2Confident19 Ų1925 Ų2510%0.09912%0.123CC..Hα-helixtrans-54.3-45179.9178.364.5000110.6L21 L22 S27 T28 L29 L49 V106L21-L25 PolarHBondContact O-N 3.07Å; L22-L25 PolarHBondContact O-N 3.31Å; L25-S27 VanDerWaalsContact C-N 3.33Å; L25-S27 PolarHBondContact O-N 3.21Å; L25-T28 PolarHBondContact O-N 2.79Å; L25-T28 PolarHBondContact O-OG1 2.81Å; L25-L29 PolarHBondContact O-N 3.35Å; L25-L49 HydrophobicContact CD1-CD1 3.78Å; L25-L49 HydrophobicContact CD2-CD1 3.83Å; L25-L49 HydrophobicContact CG-CD1 4.45Å; L25-V106 HydrophobicContact CB-CG2 3.96Å; L25-V106 HydrophobicContact CD2-CB 4.41Å; L25-V106 HydrophobicContact CD2-CG1 3.95Å; L25-V106 HydrophobicContact CD2-CG2 4.15Å; L25-V106 HydrophobicContact CG-CG2 4.43Å
26T63.9Low67.9Low2 Ų225.5 Ų25.51%0.01213%0.128CC..Hα-helixtrans-69.8-32.5-174.6-55.70000112.5F23 R24 T28 L29 Y208 Y320 L324F23-T26 PolarHBondContact O-N 2.97Å; R24-T26 PolarHBondContact O-N 3.24Å; T26-T28 VanDerWaalsContact C-N 3.33Å; T26-T28 PolarHBondContact O-N 3.21Å; T26-L29 HydrophobicContact CG2-CD1 4.43Å; T26-L29 WeakPolarHBondContact O-CB 3.28Å; T26-L29 PolarHBondContact O-N 3.45Å; T26-Y208 WeakPolarHBondContact CB-OH 3.25Å; T26-Y208 HydrophobicContact CG2-CD1 4.33Å; T26-Y208 HydrophobicContact CG2-CE1 3.37Å; T26-Y208 HydrophobicContact CG2-CE2 4.09Å; T26-Y208 WeakPolarHBondContact CG2-OH 3.36Å; T26-Y320 PolarHBondContact OG1-OH 3.38Å; T26-L324 HydrophobicContact CG2-CD2 3.45Å; T26-L324 VanDerWaalsContact CG2-CD2 3.45Å
27S61.2Low65.8Low8 Ų824.8 Ų24.86%0.05613%0.126CC..Hα-helixtrans-64.9-34.6169-50.30000112.7F23 R24 L25 L29 C30 Y471F23-S27 PolarHBondContact O-OG 3.29Å; R24-S27 PolarHBondContact O-N 3.17Å; L25-S27 VanDerWaalsContact C-N 3.33Å; L25-S27 PolarHBondContact O-N 3.21Å; S27-L29 VanDerWaalsContact C-N 3.29Å; S27-L29 PolarHBondContact O-N 2.91Å; S27-C30 WeakPolarHBondContact O-CB 3.35Å; S27-C30 PolarHBondContact O-N 3.11Å; S27-Y471 PolarHBondContact OG-O 3.05Å
28T61.1Low63.5Low9 Ų930.5 Ų30.56%0.05516%0.156CC..Hα-helixtrans-69.7-24176.461.40000113.7R24 L25 T26 C30 I31R24-T28 PolarHBondContact O-N 2.73Å; R24-T28 VanDerWaalsContact O-N 3.13Å; L25-T28 PolarHBondContact O-N 2.79Å; L25-T28 PolarHBondContact O-OG1 2.81Å; T26-T28 VanDerWaalsContact C-N 3.33Å; T26-T28 PolarHBondContact O-N 3.21Å; T28-C30 PolarHBondContact O-N 2.71Å; T28-I31 HydrophobicContact CG2-CD1 4.45Å; T28-I31 WeakPolarHBondContact O-CG1 3.45Å; T28-I31 PolarHBondContact O-N 3.4Å
29L57.9Low61.2Low19 Ų1937 Ų3710%0.09919%0.188CC..Hα-helixtrans-63-24.5174.7-63.8174.5000112.2L25 T26 S27 Q46 L321L25-L29 PolarHBondContact O-N 3.35Å; T26-L29 HydrophobicContact CG2-CD1 4.43Å; T26-L29 WeakPolarHBondContact O-CB 3.28Å; T26-L29 PolarHBondContact O-N 3.45Å; S27-L29 VanDerWaalsContact C-N 3.29Å; S27-L29 PolarHBondContact O-N 2.91Å; L29-Q46 HydrophobicContact CD1-CG 4.45Å; L29-Q46 HydrophobicContact CD2-CG 3.49Å; L29-Q46 VanDerWaalsContact CD2-CG 3.49Å; L29-L321 HydrophobicContact CD1-CD2 4.36Å
30C52.4Low59Low17 Ų1742.8 Ų42.812%0.11522%0.215CC..THydrogen-bonded Turntrans-83-9.9-178.5-55.90000114.6S27 T28 F32 Y471 K631S27-C30 WeakPolarHBondContact O-CB 3.35Å; S27-C30 PolarHBondContact O-N 3.11Å; T28-C30 PolarHBondContact O-N 2.71Å; C30-F32 PolarHBondContact O-N 2.85Å; C30-Y471 HydrophobicContact CB-CD2 4.49Å; C30-Y471 HydrophobicContact CB-CG 4.45Å; C30-Y471 WeakPolarHBondContact SG-CB 3.33Å; C30-Y471 WeakPolarHBondContact SG-CD1 3.3Å; C30-K631 PolarHBondContact O-NZ 3.4Å
31I50.2Low56.7Low39 Ų3944.8 Ų44.820%0.224%0.236CC..THydrogen-bonded Turntrans-65.2-33.9172.6-56.9172.1000109.5T28 D33 G443T28-I31 HydrophobicContact CG2-CD1 4.45Å; T28-I31 WeakPolarHBondContact O-CG1 3.45Å; T28-I31 PolarHBondContact O-N 3.4Å; I31-D33 PolarHBondContact O-N 2.82Å; I31-G443 VanDerWaalsContact CD1-CA 3.48Å
32F47.4Very low55Low58 Ų5849.7 Ų49.725%0.25426%0.258SS..SBendtrans-81.6112.7176.3-58.9-72.2000108.6C30 F34 K42C30-F32 PolarHBondContact O-N 2.85Å; F32-F34 PolarHBondContact O-N 3.16Å; F32-K42 HydrophobicContact CD1-CB 4.19Å; F32-K42 HydrophobicContact CD1-CD 3.52Å; F32-K42 HydrophobicContact CD1-CG 4.47Å; F32-K42 HydrophobicContact CE1-CD 3.76Å
33D49.8Very low53.5Low116 Ų11651.2 Ų51.262%0.6227%0.268SS*.  trans-40115.2168.3174.7-1.2000108.6I31 H35 G36 F37I31-D33 PolarHBondContact O-N 2.82Å; D33-H35 PolarHBondContact O-N 3.4Å; D33-H35 WeakPolarHBondContact OD1-CB 3.41Å; D33-H35 PolarHBondContact OD1-N 3.2Å; D33-G36 CarbonylContact O-C 3.59Å; D33-G36 WeakPolarHBondContact O-CA 3.32Å; D33-G36 PolarHBondContact O-N 2.89Å; D33-F37 WeakPolarHBondContact O-CB 3.47Å; D33-F37 PolarHBondContact O-N 3.21Å
34F47.4Very low52.1Low21 Ų2153.9 Ų53.99%0.09229%0.29CS..Hα-helixtrans-65.6-16.2-170.9-149.7-89.3000112F32 F37 L38 T325 R332F32-F34 PolarHBondContact O-N 3.16Å; F34-F37 VanDerWaalsContact CA-CB 3.41Å; F34-F37 HydrophobicContact CB-CB 4.45Å; F34-F37 AromaticContact CD1-CD1 3.64Å; F34-F37 HydrophobicContact CD1-CD1 3.64Å; F34-F37 HydrophobicContact CD1-CE1 4.05Å; F34-F37 HydrophobicContact CD1-CG 4.46Å; F34-F37 AromaticContact CD2-CD1 3.85Å; F34-F37 HydrophobicContact CD2-CD1 3.85Å; F34-F37 HydrophobicContact CD2-CD2 4.49Å; F34-F37 HydrophobicContact CD2-CE1 4.09Å; F34-F37 HydrophobicContact CD2-CG 4.09Å; F34-F37 HydrophobicContact CD2-CZ 4.5Å; F34-F37 AromaticContact CE1-CD1 3.6Å; F34-F37 HydrophobicContact CE1-CD1 3.6Å; F34-F37 AromaticContact CE1-CE1 3.51Å; F34-F37 HydrophobicContact CE1-CE1 3.51Å; F34-F37 AromaticContact CE2-CD1 3.8Å; F34-F37 HydrophobicContact CE2-CD1 3.8Å; F34-F37 AromaticContact CE2-CE1 3.54Å; F34-F37 HydrophobicContact CE2-CE1 3.54Å; F34-F37 HydrophobicContact CE2-CE2 4.29Å; F34-F37 HydrophobicContact CE2-CG 4.32Å; F34-F37 AromaticContact CE2-CZ 3.81Å; F34-F37 HydrophobicContact CE2-CZ 3.81Å; F34-F37 HydrophobicContact CG-CB 4.35Å; F34-F37 AromaticContact CG-CD1 3.79Å; F34-F37 HydrophobicContact CG-CD1 3.79Å; F34-F37 HydrophobicContact CG-CE1 4.34Å; F34-F37 HydrophobicContact CG-CG 4.19Å; F34-F37 AromaticContact CZ-CD1 3.69Å; F34-F37 HydrophobicContact CZ-CD1 3.69Å; F34-F37 AromaticContact CZ-CE1 3.22Å; F34-F37 HydrophobicContact CZ-CE1 3.22Å; F34-F37 AromaticContact CZ-CZ 3.83Å; F34-F37 HydrophobicContact CZ-CZ 3.83Å; F34-F37 WeakPolarHBondContact O-CB 3.3Å; F34-L38 HydrophobicContact CD1-CD1 4.4Å; F34-L38 PolarHBondContact O-N 3.35Å; F34-T325 HydrophobicContact CE1-CG2 4.14Å; F34-T325 HydrophobicContact CZ-CG2 3.82Å; F34-R332 VanDerWaalsContact CB-NH2 3.3Å
35H40.4Very low50.8Low115 Ų11555.1 Ų55.153%0.53230%0.297SS..Hα-helixtrans-80.4-42.1172.1-154.970000111.1D33 F37 L38 M39D33-H35 PolarHBondContact O-N 3.4Å; D33-H35 WeakPolarHBondContact OD1-CB 3.41Å; D33-H35 PolarHBondContact OD1-N 3.2Å; H35-F37 PolarHBondContact O-N 3.21Å; H35-L38 PolarHBondContact O-N 3.16Å; H35-M39 WeakPolarHBondContact O-CB 3.45Å; H35-M39 WeakPolarHBondContact O-CG 3.41Å; H35-M39 PolarHBondContact O-N 2.81Å; H35-M39 VanDerWaalsContact O-N 3.11Å
36G44.7Very low50Low10 Ų1055.9 Ų55.910%0.10330%0.3CS..Hα-helixtrans-63.1-26.6164.200000112.9D33 M39 Q40D33-G36 CarbonylContact O-C 3.59Å; D33-G36 WeakPolarHBondContact O-CA 3.32Å; D33-G36 PolarHBondContact O-N 2.89Å; G36-M39 PolarHBondContact O-N 3.43Å; G36-Q40 VanDerWaalsContact O-CA 3.25Å; G36-Q40 WeakPolarHBondContact O-CA 3.45Å; G36-Q40 WeakPolarHBondContact O-CB 3.39Å; G36-Q40 WeakPolarHBondContact O-CG 3.42Å; G36-Q40 PolarHBondContact O-N 2.87Å
37F51Low49.4Very low20 Ų2058.7 Ų58.79%0.08832%0.317CS..Hα-helixtrans-69-39.4177.8165.5-89.8000112.2D33 F34 H35 V43 Q46D33-F37 WeakPolarHBondContact O-CB 3.47Å; D33-F37 PolarHBondContact O-N 3.21Å; F34-F37 VanDerWaalsContact CA-CB 3.41Å; F34-F37 HydrophobicContact CB-CB 4.45Å; F34-F37 AromaticContact CD1-CD1 3.64Å; F34-F37 HydrophobicContact CD1-CD1 3.64Å; F34-F37 HydrophobicContact CD1-CE1 4.05Å; F34-F37 HydrophobicContact CD1-CG 4.46Å; F34-F37 AromaticContact CD2-CD1 3.85Å; F34-F37 HydrophobicContact CD2-CD1 3.85Å; F34-F37 HydrophobicContact CD2-CD2 4.49Å; F34-F37 HydrophobicContact CD2-CE1 4.09Å; F34-F37 HydrophobicContact CD2-CG 4.09Å; F34-F37 HydrophobicContact CD2-CZ 4.5Å; F34-F37 AromaticContact CE1-CD1 3.6Å; F34-F37 HydrophobicContact CE1-CD1 3.6Å; F34-F37 AromaticContact CE1-CE1 3.51Å; F34-F37 HydrophobicContact CE1-CE1 3.51Å; F34-F37 AromaticContact CE2-CD1 3.8Å; F34-F37 HydrophobicContact CE2-CD1 3.8Å; F34-F37 AromaticContact CE2-CE1 3.54Å; F34-F37 HydrophobicContact CE2-CE1 3.54Å; F34-F37 HydrophobicContact CE2-CE2 4.29Å; F34-F37 HydrophobicContact CE2-CG 4.32Å; F34-F37 AromaticContact CE2-CZ 3.81Å; F34-F37 HydrophobicContact CE2-CZ 3.81Å; F34-F37 HydrophobicContact CG-CB 4.35Å; F34-F37 AromaticContact CG-CD1 3.79Å; F34-F37 HydrophobicContact CG-CD1 3.79Å; F34-F37 HydrophobicContact CG-CE1 4.34Å; F34-F37 HydrophobicContact CG-CG 4.19Å; F34-F37 AromaticContact CZ-CD1 3.69Å; F34-F37 HydrophobicContact CZ-CD1 3.69Å; F34-F37 AromaticContact CZ-CE1 3.22Å; F34-F37 HydrophobicContact CZ-CE1 3.22Å; F34-F37 AromaticContact CZ-CZ 3.83Å; F34-F37 HydrophobicContact CZ-CZ 3.83Å; F34-F37 WeakPolarHBondContact O-CB 3.3Å; H35-F37 PolarHBondContact O-N 3.21Å; F37-V43 WeakPolarHBondContact O-CG2 3.19Å; F37-Q46 VanDerWaalsContact CZ-OE1 3.25Å
38L43.9Very low49.1Very low123 Ų12362.7 Ų62.764%0.64434%0.338SS*.Hα-helixtrans-76.3-35.7172.7-84.4155.3000112.3F34 H35F34-L38 HydrophobicContact CD1-CD1 4.4Å; F34-L38 PolarHBondContact O-N 3.35Å; H35-L38 PolarHBondContact O-N 3.16Å
39M41.3Very low48.7Very low152 Ų15263.1 Ų63.175%0.74934%0.34SS*.Hα-helixtrans-97.2-24.9-171.4-63.1-68.7-84.500115.2H35 G36H35-M39 WeakPolarHBondContact O-CB 3.45Å; H35-M39 WeakPolarHBondContact O-CG 3.41Å; H35-M39 PolarHBondContact O-N 2.81Å; H35-M39 VanDerWaalsContact O-N 3.11Å; G36-M39 PolarHBondContact O-N 3.43Å
40Q43.2Very low48.6Very low127 Ų12763.3 Ų63.359%0.59334%0.344SS*.SBendtrans-110.56.9-173-54.4-178-12.800114.7G36 K42G36-Q40 VanDerWaalsContact O-CA 3.25Å; G36-Q40 WeakPolarHBondContact O-CA 3.45Å; G36-Q40 WeakPolarHBondContact O-CB 3.39Å; G36-Q40 WeakPolarHBondContact O-CG 3.42Å; G36-Q40 PolarHBondContact O-N 2.87Å; Q40-K42 PolarHBondContact O-N 2.89Å
41G41.2Very low48.7Very low44 Ų4465.9 Ų65.945%0.45436%0.356SS..  trans61.717.7169.600000115.8V43 A44G41-V43 VanDerWaalsContact C-CB 3.47Å; G41-V43 CarbonylContact O-C 3.54Å; G41-V43 WeakPolarHBondContact O-CA 3.29Å; G41-V43 WeakPolarHBondContact O-CB 3.47Å; G41-V43 PolarHBondContact O-N 2.77Å; G41-V43 VanDerWaalsContact O-N 3.1Å; G41-A44 PolarHBondContact O-N 3.39Å
42K48.6Very low48.8Very low106 Ų10665.3 Ų65.346%0.46136%0.355SS..THydrogen-bonded Turntrans-66.9-5.9169.5-68.5-176.5-179.8170.30113F32 Q40 A44 L45F32-K42 HydrophobicContact CD1-CB 4.19Å; F32-K42 HydrophobicContact CD1-CD 3.52Å; F32-K42 HydrophobicContact CD1-CG 4.47Å; F32-K42 HydrophobicContact CE1-CD 3.76Å; Q40-K42 PolarHBondContact O-N 2.89Å; K42-A44 PolarHBondContact O-N 3.18Å; K42-L45 PolarHBondContact O-N 3.35Å
43V51.6Low49.1Very low57 Ų5763.8 Ų63.835%0.34535%0.351SS..THydrogen-bonded Turntrans-14.4-36.1132.4175.40000114.8F37 G41 L45 Q46 V47F37-V43 WeakPolarHBondContact O-CG2 3.19Å; G41-V43 VanDerWaalsContact C-CB 3.47Å; G41-V43 CarbonylContact O-C 3.54Å; G41-V43 WeakPolarHBondContact O-CA 3.29Å; G41-V43 WeakPolarHBondContact O-CB 3.47Å; G41-V43 PolarHBondContact O-N 2.77Å; G41-V43 VanDerWaalsContact O-N 3.1Å; V43-L45 PolarHBondContact O-N 2.69Å; V43-Q46 PolarHBondContact O-N 2.81Å; V43-V47 HydrophobicContact CB-CG2 4.43Å; V43-V47 HydrophobicContact CG1-CB 4.27Å; V43-V47 HydrophobicContact CG1-CG2 3.25Å; V43-V47 WeakPolarHBondContact O-CA 3.43Å; V43-V47 WeakPolarHBondContact O-CB 3.42Å; V43-V47 WeakPolarHBondContact O-CG2 3.47Å; V43-V47 PolarHBondContact O-N 2.6Å
44A49.4Very low49.1Very low57 Ų5761.9 Ų61.947%0.47134%0.341SS..Hα-helixtrans-46.1-23.9175.600000116.7G41 K42 L48G41-A44 PolarHBondContact O-N 3.39Å; K42-A44 PolarHBondContact O-N 3.18Å; A44-L48 WeakPolarHBondContact O-CA 3.37Å; A44-L48 WeakPolarHBondContact O-CB 3.24Å; A44-L48 WeakPolarHBondContact O-CD1 3.46Å; A44-L48 PolarHBondContact O-N 3.2Å
45L49.3Very low49.3Very low38 Ų3864.7 Ų64.720%0.19936%0.355CS..Hα-helixtrans-96.6-43.1-176.2-144.771.2000115.9K42 V43 L48 L49 I103K42-L45 PolarHBondContact O-N 3.35Å; V43-L45 PolarHBondContact O-N 2.69Å; L45-L48 VanDerWaalsContact C-N 3.34Å; L45-L48 CarbonylContact O-C 3.58Å; L45-L48 WeakPolarHBondContact O-CA 3.14Å; L45-L48 PolarHBondContact O-N 2.92Å; L45-L48 VanDerWaalsContact O-N 3.08Å; L45-L49 WeakPolarHBondContact O-CB 3.42Å; L45-L49 PolarHBondContact O-N 3.19Å; L45-I103 HydrophobicContact CD1-CD1 3.02Å; L45-I103 HydrophobicContact CD1-CG1 4.15Å; L45-I103 HydrophobicContact CD2-CD1 3.28Å; L45-I103 HydrophobicContact CD2-CG1 3.7Å; L45-I103 HydrophobicContact CG-CD1 3.09Å; L45-I103 HydrophobicContact CG-CG1 3.7Å
46Q54.4Low49.9Very low35 Ų3561.3 Ų61.316%0.16434%0.337CS..Hα-helixtrans-67.2-32.6164-75178.2-17.700109.8L29 F37 V43 L49 A50L29-Q46 HydrophobicContact CD1-CG 4.45Å; L29-Q46 HydrophobicContact CD2-CG 3.49Å; L29-Q46 VanDerWaalsContact CD2-CG 3.49Å; F37-Q46 VanDerWaalsContact CZ-OE1 3.25Å; V43-Q46 PolarHBondContact O-N 2.81Å; Q46-L49 PolarHBondContact O-N 3.11Å; Q46-A50 WeakPolarHBondContact O-CB 3.34Å; Q46-A50 PolarHBondContact O-N 3.22Å
47V52Low50.1Low61 Ų6167.6 Ų67.637%0.3737%0.368SS..Hα-helixtrans-66.2-35.6164.4169.10000110.4V43 A50 I51V43-V47 HydrophobicContact CB-CG2 4.43Å; V43-V47 HydrophobicContact CG1-CB 4.27Å; V43-V47 HydrophobicContact CG1-CG2 3.25Å; V43-V47 WeakPolarHBondContact O-CA 3.43Å; V43-V47 WeakPolarHBondContact O-CB 3.42Å; V43-V47 WeakPolarHBondContact O-CG2 3.47Å; V43-V47 PolarHBondContact O-N 2.6Å; V47-A50 CarbonylContact O-C 3.59Å; V47-I51 HydrophobicContact CG1-CD1 3.43Å; V47-I51 VanDerWaalsContact CG1-CD1 3.43Å; V47-I51 HydrophobicContact CG1-CG1 4.17Å; V47-I51 WeakPolarHBondContact O-CA 3.46Å; V47-I51 WeakPolarHBondContact O-CB 3.46Å; V47-I51 WeakPolarHBondContact O-CD1 3.32Å; V47-I51 WeakPolarHBondContact O-CG1 3.33Å; V47-I51 PolarHBondContact O-N 3.38Å
48L54.4Low50.1Low93 Ų9369.8 Ų69.849%0.48738%0.383SS..Hα-helixtrans-71.1-32.1172.8-108.5142.8000114.4A44 L45 I51 S52A44-L48 WeakPolarHBondContact O-CA 3.37Å; A44-L48 WeakPolarHBondContact O-CB 3.24Å; A44-L48 WeakPolarHBondContact O-CD1 3.46Å; A44-L48 PolarHBondContact O-N 3.2Å; L45-L48 VanDerWaalsContact C-N 3.34Å; L45-L48 CarbonylContact O-C 3.58Å; L45-L48 WeakPolarHBondContact O-CA 3.14Å; L45-L48 PolarHBondContact O-N 2.92Å; L45-L48 VanDerWaalsContact O-N 3.08Å; L48-I51 CarbonylContact O-C 3.33Å; L48-I51 VanDerWaalsContact O-C 3.28Å; L48-I51 WeakPolarHBondContact O-CA 3.31Å; L48-I51 WeakPolarHBondContact O-CB 3.32Å; L48-I51 PolarHBondContact O-N 2.99Å; L48-S52 WeakPolarHBondContact O-CB 3.28Å; L48-S52 PolarHBondContact O-N 3.03Å
49L52.4Low50.6Low17 Ų1767.6 Ų67.69%0.08938%0.376CS..Hα-helixtrans-81.1-35.3177.1-88.2149.9000112.6L25 L45 Q46 I51 S52 C53 I103 V106L25-L49 HydrophobicContact CD1-CD1 3.78Å; L25-L49 HydrophobicContact CD2-CD1 3.83Å; L25-L49 HydrophobicContact CG-CD1 4.45Å; L45-L49 WeakPolarHBondContact O-CB 3.42Å; L45-L49 PolarHBondContact O-N 3.19Å; Q46-L49 PolarHBondContact O-N 3.11Å; L49-I51 VanDerWaalsContact C-N 3.31Å; L49-S52 PolarHBondContact O-N 3.31Å; L49-S52 PolarHBondContact O-OG 3.25Å; L49-C53 PolarHBondContact O-N 3.35Å; L49-C53 VanDerWaalsContact O-N 3.08Å; L49-I103 HydrophobicContact CD1-CB 4.14Å; L49-I103 HydrophobicContact CD1-CG1 3.87Å; L49-I103 HydrophobicContact CD1-CG2 3.71Å; L49-I103 HydrophobicContact CD2-CG2 3.93Å; L49-I103 HydrophobicContact CG-CB 4.47Å; L49-I103 HydrophobicContact CG-CG2 3.54Å; L49-V106 HydrophobicContact CD2-CB 4.34Å; L49-V106 HydrophobicContact CD2-CG1 4.1Å
50A55.2Low51Low23 Ų2364.1 Ų64.119%0.1937%0.367CS..Hα-helixtrans-61.9-38.8157.800000110.6Q46 V47 S52 C53 I54Q46-A50 WeakPolarHBondContact O-CB 3.34Å; Q46-A50 PolarHBondContact O-N 3.22Å; V47-A50 CarbonylContact O-C 3.59Å; A50-S52 PolarHBondContact O-N 3.21Å; A50-C53 CarbonylContact O-C 3.48Å; A50-C53 VanDerWaalsContact O-CB 3.29Å; A50-C53 WeakPolarHBondContact O-CB 3.29Å; A50-C53 PolarHBondContact O-N 2.77Å; A50-I54 WeakPolarHBondContact O-CB 3.26Å; A50-I54 VanDerWaalsContact O-CD1 3.3Å; A50-I54 WeakPolarHBondContact O-CD1 3.43Å; A50-I54 WeakPolarHBondContact O-CG1 3.33Å; A50-I54 PolarHBondContact O-N 3.07Å
51I54.6Low51.4Low71 Ų7160.7 Ų60.736%0.36436%0.356SS..Hα-helixtrans-66-18.1173.4-70.6158.2000112.5V47 L48 L49 I54V47-I51 HydrophobicContact CG1-CD1 3.43Å; V47-I51 VanDerWaalsContact CG1-CD1 3.43Å; V47-I51 HydrophobicContact CG1-CG1 4.17Å; V47-I51 WeakPolarHBondContact O-CA 3.46Å; V47-I51 WeakPolarHBondContact O-CB 3.46Å; V47-I51 WeakPolarHBondContact O-CD1 3.32Å; V47-I51 WeakPolarHBondContact O-CG1 3.33Å; V47-I51 PolarHBondContact O-N 3.38Å; L48-I51 CarbonylContact O-C 3.33Å; L48-I51 VanDerWaalsContact O-C 3.28Å; L48-I51 WeakPolarHBondContact O-CA 3.31Å; L48-I51 WeakPolarHBondContact O-CB 3.32Å; L48-I51 PolarHBondContact O-N 2.99Å; L49-I51 VanDerWaalsContact C-N 3.31Å; I51-I54 VanDerWaalsContact C-CB 3.47Å; I51-I54 VanDerWaalsContact CA-CB 3.45Å; I51-I54 HydrophobicContact CB-CB 4.47Å; I51-I54 HydrophobicContact CB-CD1 4.08Å; I51-I54 HydrophobicContact CB-CG2 4.41Å; I51-I54 HydrophobicContact CG1-CD1 3.64Å; I51-I54 HydrophobicContact CG2-CG2 4.19Å; I51-I54 WeakPolarHBondContact O-CB 3.38Å; I51-I54 VanDerWaalsContact O-CG2 3.29Å; I51-I54 WeakPolarHBondContact O-CG2 3.49Å; I51-I54 PolarHBondContact O-N 2.82Å
52S53.2Low52.2Low28 Ų2860.8 Ų60.820%0.19634%0.343CS..Hα-helixtrans-92.6-30175.384.20000112.7L48 L49 A50 I54 Y107L48-S52 WeakPolarHBondContact O-CB 3.28Å; L48-S52 PolarHBondContact O-N 3.03Å; L49-S52 PolarHBondContact O-N 3.31Å; L49-S52 PolarHBondContact O-OG 3.25Å; A50-S52 PolarHBondContact O-N 3.21Å; S52-I54 PolarHBondContact O-N 2.8Å; S52-Y107 WeakPolarHBondContact OG-CD2 3.33Å
53C53.7Low52.6Low25 Ų2561 Ų6117%0.16935%0.346CS..Hα-helixtrans-60.4-31.1157.6-75.20000111.6L49 A50 M55 R56 V314L49-C53 PolarHBondContact O-N 3.35Å; L49-C53 VanDerWaalsContact O-N 3.08Å; A50-C53 CarbonylContact O-C 3.48Å; A50-C53 VanDerWaalsContact O-CB 3.29Å; A50-C53 WeakPolarHBondContact O-CB 3.29Å; A50-C53 PolarHBondContact O-N 2.77Å; C53-M55 PolarHBondContact O-N 2.78Å; C53-R56 PolarHBondContact O-N 3.39Å; C53-V314 HydrophobicContact CB-CB 4.08Å; C53-V314 HydrophobicContact CB-CG1 3.83Å; C53-V314 HydrophobicContact CB-CG2 3.62Å; C53-V314 WeakPolarHBondContact O-CG2 3.31Å
54I49.8Very low52.9Low77 Ų7764.5 Ų64.540%0.39536%0.362SS..G310 helixtrans-69.1-16.2-179.9-84.3161000114.7A50 I51 S52 R56 L57A50-I54 WeakPolarHBondContact O-CB 3.26Å; A50-I54 VanDerWaalsContact O-CD1 3.3Å; A50-I54 WeakPolarHBondContact O-CD1 3.43Å; A50-I54 WeakPolarHBondContact O-CG1 3.33Å; A50-I54 PolarHBondContact O-N 3.07Å; I51-I54 VanDerWaalsContact C-CB 3.47Å; I51-I54 VanDerWaalsContact CA-CB 3.45Å; I51-I54 HydrophobicContact CB-CB 4.47Å; I51-I54 HydrophobicContact CB-CD1 4.08Å; I51-I54 HydrophobicContact CB-CG2 4.41Å; I51-I54 HydrophobicContact CG1-CD1 3.64Å; I51-I54 HydrophobicContact CG2-CG2 4.19Å; I51-I54 WeakPolarHBondContact O-CB 3.38Å; I51-I54 VanDerWaalsContact O-CG2 3.29Å; I51-I54 WeakPolarHBondContact O-CG2 3.49Å; I51-I54 PolarHBondContact O-N 2.82Å; S52-I54 PolarHBondContact O-N 2.8Å; I54-R56 PolarHBondContact O-N 2.58Å; I54-L57 PolarHBondContact O-N 2.96Å
55M52Low53.4Low79 Ų7966.1 Ų66.139%0.38936%0.362SS..G310 helixtrans-75.6-3.6171.3-73.4-69.1-78.300113.8C53 C61 L65C53-M55 PolarHBondContact O-N 2.78Å; M55-C61 HydrophobicContact CE-CB 4.27Å; M55-L65 HydrophobicContact CE-CD1 4.42Å
56R51.8Low53.9Low44 Ų4464.6 Ų64.617%0.16635%0.354CS..G310 helixtrans-88.5-8.2170.8-94.6168.8167.9-173.1-7.5114.9C53 I54 V58 Y62 T114 I309 G310C53-R56 PolarHBondContact O-N 3.39Å; I54-R56 PolarHBondContact O-N 2.58Å; R56-V58 VanDerWaalsContact C-N 3.28Å; R56-Y62 HydrophobicContact CG-CD2 3.71Å; R56-Y62 HydrophobicContact CG-CE2 3.82Å; R56-Y62 HydrophobicContact CG-CG 4.21Å; R56-Y62 PolarHBondContact NH2-OH 2.98Å; R56-T114 PolarHBondContact NH2-OG1 2.75Å; R56-I309 VanDerWaalsContact NH1-C 3.31Å; R56-I309 PolarHBondContact NH1-O 3.25Å; R56-G310 VanDerWaalsContact CD-O 3.28Å; R56-G310 WeakPolarHBondContact CD-O 3.26Å; R56-G310 VanDerWaalsContact CZ-N 3.26Å; R56-G310 VanDerWaalsContact NH1-N 3.14Å; R56-G310 PolarHBondContact NH1-O 2.83Å
57L49.7Very low54.3Low142 Ų14270.7 Ų70.774%0.74338%0.376SS*.SBendtrans-79.2-12.6174-85.9153.3000112.9I54 P59I54-L57 PolarHBondContact O-N 2.96Å; L57-P59 VanDerWaalsContact O-CD 3.29Å; L57-P59 WeakPolarHBondContact O-CD 3.21Å
58V51Low54.6Low67 Ų6771 Ų7141%0.40639%0.385SS..  trans-110.192.4170.7-171.10000108.9R56 S60 C61 Y62R56-V58 VanDerWaalsContact C-N 3.28Å; V58-S60 PolarHBondContact O-N 2.84Å; V58-S60 VanDerWaalsContact O-N 3.08Å; V58-C61 HydrophobicContact CB-CB 4.39Å; V58-C61 HydrophobicContact CG1-CB 4.21Å; V58-C61 PolarHBondContact O-N 3.26Å; V58-Y62 PolarHBondContact O-N 2.97Å
59P52.7Low55.1Low76 Ų7668.9 Ų68.949%0.49437%0.373SS..Hα-helixtrans-49.8-37.2178.3-26.532.7000112.4L57 H63L57-P59 VanDerWaalsContact O-CD 3.29Å; L57-P59 WeakPolarHBondContact O-CD 3.21Å; P59-H63 WeakPolarHBondContact O-CB 3.42Å; P59-H63 PolarHBondContact O-CD2 2.86Å; P59-H63 PolarHBondContact O-N 3.43Å
60S49.9Very low55.7Low79 Ų7968.1 Ų68.155%0.55237%0.369SS*.Hα-helixtrans-62.2-47.3-177.5-45.40000113V58 L64V58-S60 PolarHBondContact O-N 2.84Å; V58-S60 VanDerWaalsContact O-N 3.08Å; S60-L64 WeakPolarHBondContact O-CB 3.24Å; S60-L64 WeakPolarHBondContact O-CD1 3.33Å; S60-L64 WeakPolarHBondContact O-CG 3.33Å; S60-L64 PolarHBondContact O-N 3.38Å
61C52.7Low56.1Low55 Ų5572.6 Ų72.637%0.37239%0.386SS..Hα-helixtrans-75-39.9-178.5-64.20000112.1M55 V58 L64 L65M55-C61 HydrophobicContact CE-CB 4.27Å; V58-C61 HydrophobicContact CB-CB 4.39Å; V58-C61 HydrophobicContact CG1-CB 4.21Å; V58-C61 PolarHBondContact O-N 3.26Å; C61-L64 PolarHBondContact O-N 2.53Å; C61-L65 WeakPolarHBondContact O-CB 3.38Å; C61-L65 PolarHBondContact O-N 2.81Å
62Y57.4Low56.8Low46 Ų4671.6 Ų71.618%0.1839%0.385CS..Hα-helixtrans-64.2-45.4174.9177.4-95.1000111.2R56 V58 L64 V66R56-Y62 HydrophobicContact CG-CD2 3.71Å; R56-Y62 HydrophobicContact CG-CE2 3.82Å; R56-Y62 HydrophobicContact CG-CG 4.21Å; R56-Y62 PolarHBondContact NH2-OH 2.98Å; V58-Y62 PolarHBondContact O-N 2.97Å; Y62-L64 PolarHBondContact O-N 3.04Å; Y62-V66 HydrophobicContact CD1-CG2 4.43Å; Y62-V66 HydrophobicContact CD2-CB 4.49Å; Y62-V66 HydrophobicContact CD2-CG2 3.51Å; Y62-V66 HydrophobicContact CE1-CB 4.48Å; Y62-V66 HydrophobicContact CE1-CG2 4.41Å; Y62-V66 HydrophobicContact CE2-CB 4.35Å; Y62-V66 HydrophobicContact CE2-CG1 4.45Å; Y62-V66 HydrophobicContact CE2-CG2 3.51Å; Y62-V66 HydrophobicContact CG-CG2 4.01Å; Y62-V66 WeakPolarHBondContact O-CA 3.21Å; Y62-V66 WeakPolarHBondContact O-CB 3.26Å; Y62-V66 WeakPolarHBondContact O-CG2 3.35Å; Y62-V66 PolarHBondContact O-N 2.93Å
63H57.3Low57.5Low112 Ų11274.6 Ų74.652%0.51940%0.396SS..Hα-helixtrans-62.9-43.6176.5-84.6-68.9000111P59 R67P59-H63 WeakPolarHBondContact O-CB 3.42Å; P59-H63 PolarHBondContact O-CD2 2.86Å; P59-H63 PolarHBondContact O-N 3.43Å; H63-R67 WeakPolarHBondContact O-CA 3.28Å; H63-R67 WeakPolarHBondContact O-CB 3.33Å; H63-R67 PolarHBondContact O-N 2.89Å
64L57.4Low58.6Low130 Ų13079.2 Ų79.268%0.68142%0.418SS*.Hα-helixtrans-64.9-52.8178.6-81.7157000112.7S60 C61 Y62 A68S60-L64 WeakPolarHBondContact O-CB 3.24Å; S60-L64 WeakPolarHBondContact O-CD1 3.33Å; S60-L64 WeakPolarHBondContact O-CG 3.33Å; S60-L64 PolarHBondContact O-N 3.38Å; C61-L64 PolarHBondContact O-N 2.53Å; Y62-L64 PolarHBondContact O-N 3.04Å; L64-A68 WeakPolarHBondContact O-CB 3.33Å; L64-A68 PolarHBondContact O-N 3.27Å
65L60Low60Low91 Ų9176 Ų7648%0.47640%0.404SS..Hα-helixtrans-67.5-48.4-177.8-83.6158.5000112.2M55 C61 A68 I69M55-L65 HydrophobicContact CE-CD1 4.42Å; C61-L65 WeakPolarHBondContact O-CB 3.38Å; C61-L65 PolarHBondContact O-N 2.81Å; L65-A68 PolarHBondContact O-N 2.99Å; L65-I69 HydrophobicContact CB-CD1 4.44Å; L65-I69 HydrophobicContact CD2-CD1 4.15Å; L65-I69 VanDerWaalsContact O-CB 3.22Å; L65-I69 WeakPolarHBondContact O-CB 3.41Å; L65-I69 WeakPolarHBondContact O-CD1 3.47Å; L65-I69 WeakPolarHBondContact O-CG1 3.46Å; L65-I69 PolarHBondContact O-N 3.26Å
66V61.2Low61.2Low5 Ų572.8 Ų72.83%0.0339%0.388CS..Hα-helixtrans-74.9-29.6-176.7-172.80000110.7Y62 F70 M111 R119Y62-V66 HydrophobicContact CD1-CG2 4.43Å; Y62-V66 HydrophobicContact CD2-CB 4.49Å; Y62-V66 HydrophobicContact CD2-CG2 3.51Å; Y62-V66 HydrophobicContact CE1-CB 4.48Å; Y62-V66 HydrophobicContact CE1-CG2 4.41Å; Y62-V66 HydrophobicContact CE2-CB 4.35Å; Y62-V66 HydrophobicContact CE2-CG1 4.45Å; Y62-V66 HydrophobicContact CE2-CG2 3.51Å; Y62-V66 HydrophobicContact CG-CG2 4.01Å; Y62-V66 WeakPolarHBondContact O-CA 3.21Å; Y62-V66 WeakPolarHBondContact O-CB 3.26Å; Y62-V66 WeakPolarHBondContact O-CG2 3.35Å; Y62-V66 PolarHBondContact O-N 2.93Å; V66-F70 HydrophobicContact CB-CD2 4.24Å; V66-F70 HydrophobicContact CG1-CD2 3.37Å; V66-F70 HydrophobicContact CG1-CE2 3.73Å; V66-F70 HydrophobicContact CG1-CG 4.4Å; V66-F70 WeakPolarHBondContact O-CB 3.49Å; V66-F70 PolarHBondContact O-N 3.47Å; V66-M111 HydrophobicContact CG2-CE 4.07Å; V66-R119 PolarHBondContact O-NH1 2.84Å; V66-R119 PolarHBondContact O-NH2 2.94Å
67R61.3Low62.7Low164 Ų16472.2 Ų72.262%0.61939%0.389SS*.Hα-helixtrans-69.7-45.8171-163.3-179-171.5172-1.3110.4H63 H71H63-R67 WeakPolarHBondContact O-CA 3.28Å; H63-R67 WeakPolarHBondContact O-CB 3.33Å; H63-R67 PolarHBondContact O-N 2.89Å; R67-H71 WeakPolarHBondContact CG-CD2 3.19Å; R67-H71 WeakPolarHBondContact O-CB 3.45Å; R67-H71 PolarHBondContact O-CD2 2.77Å; R67-H71 VanDerWaalsContact O-CD2 3.24Å; R67-H71 PolarHBondContact O-N 2.87Å
68A59.1Low64.4Low68 Ų6868.7 Ų68.756%0.56237%0.374SS*.Hα-helixtrans-61.8-47.4177.400000112.4L64 L65L64-A68 WeakPolarHBondContact O-CB 3.33Å; L64-A68 PolarHBondContact O-N 3.27Å; L65-A68 PolarHBondContact O-N 2.99Å
69I65.8Low66.1Low48 Ų4865.7 Ų65.725%0.24636%0.355CS..Hα-helixtrans-71.9-47.5-175.6-65.9167.2000111L65 S72 G75 E76 V79L65-I69 HydrophobicContact CB-CD1 4.44Å; L65-I69 HydrophobicContact CD2-CD1 4.15Å; L65-I69 VanDerWaalsContact O-CB 3.22Å; L65-I69 WeakPolarHBondContact O-CB 3.41Å; L65-I69 WeakPolarHBondContact O-CD1 3.47Å; L65-I69 WeakPolarHBondContact O-CG1 3.46Å; L65-I69 PolarHBondContact O-N 3.26Å; I69-S72 VanDerWaalsContact O-O 3.12Å; I69-G75 WeakPolarHBondContact CG2-O 3.37Å; I69-G75 CarbonylContact O-C 3.6Å; I69-G75 VanDerWaalsContact O-C 3.31Å; I69-G75 WeakPolarHBondContact O-CA 3.1Å; I69-E76 PolarHBondContact O-N 3.2Å; I69-V79 HydrophobicContact CG2-CG2 3.46Å; I69-V79 VanDerWaalsContact CG2-CG2 3.46Å
70F64.9Low67.7Low1 Ų162.2 Ų62.20%0.00433%0.332CS..Hα-helixtrans-97.61.6-174.8-63.4-89000114.3V66 E76 V79 M111 S115 R119 R180V66-F70 HydrophobicContact CB-CD2 4.24Å; V66-F70 HydrophobicContact CG1-CD2 3.37Å; V66-F70 HydrophobicContact CG1-CE2 3.73Å; V66-F70 HydrophobicContact CG1-CG 4.4Å; V66-F70 WeakPolarHBondContact O-CB 3.49Å; V66-F70 PolarHBondContact O-N 3.47Å; F70-E76 HydrophobicContact CD1-CB 4.26Å; F70-E76 HydrophobicContact CD1-CG 4.41Å; F70-V79 HydrophobicContact CE1-CB 4.37Å; F70-V79 HydrophobicContact CE1-CG1 4.27Å; F70-V79 HydrophobicContact CE1-CG2 4.29Å; F70-V79 HydrophobicContact CE2-CG2 4.39Å; F70-V79 HydrophobicContact CZ-CB 4.31Å; F70-V79 HydrophobicContact CZ-CG1 3.98Å; F70-V79 HydrophobicContact CZ-CG2 3.95Å; F70-M111 HydrophobicContact CE2-CE 3.91Å; F70-M111 HydrophobicContact CZ-CB 4.34Å; F70-S115 WeakPolarHBondContact CD1-OG 3.41Å; F70-R119 VanDerWaalsContact CB-NH1 3.3Å; F70-R180 PolarHBondContact O-NH1 2.95Å
71H63.3Low69.6Low117 Ų11760.8 Ų60.854%0.54232%0.32SS..Hα-helixtrans-82.9-26160.6-87-88.4000112R67R67-H71 WeakPolarHBondContact CG-CD2 3.19Å; R67-H71 WeakPolarHBondContact O-CB 3.45Å; R67-H71 PolarHBondContact O-CD2 2.77Å; R67-H71 VanDerWaalsContact O-CD2 3.24Å; R67-H71 PolarHBondContact O-N 2.87Å
72S68.5Low71.3Confident50 Ų5061.2 Ų61.235%0.3532%0.319SS..SBendtrans-84.2135.4175.4-177.40000110.6I69 I74 G75 E76I69-S72 VanDerWaalsContact O-O 3.12Å; S72-I74 PolarHBondContact O-N 3.32Å; S72-I74 PolarHBondContact OG-N 3.22Å; S72-G75 PolarHBondContact O-N 2.76Å; S72-E76 PolarHBondContact O-N 3.15Å
73E68.6Low72.7Confident90 Ų9059.1 Ų59.142%0.42131%0.311SS..Hα-helixtrans-56.2-39.7171.4-61.6-175.7169.600110.8G75 E76 T77 R175E73-G75 VanDerWaalsContact C-N 3.35Å; E73-G75 PolarHBondContact O-N 3.44Å; E73-E76 PolarHBondContact O-N 3.47Å; E73-T77 PolarHBondContact O-N 3.44Å; E73-R175 HydrophobicContact CG-CB 4.29Å; E73-R175 WeakPolarHBondContact OE2-CD 3.26Å
74I77.1Confident74.2Confident123 Ų12354 Ų5463%0.63129%0.287SS*.Hα-helixtrans-63.5-42.7-179-58.7172.2000110.4S72 E76 T77 V78S72-I74 PolarHBondContact O-N 3.32Å; S72-I74 PolarHBondContact OG-N 3.22Å; I74-E76 PolarHBondContact O-N 3.44Å; I74-T77 PolarHBondContact O-N 2.86Å; I74-V78 HydrophobicContact CG2-CG2 4.09Å; I74-V78 WeakPolarHBondContact O-CB 3.27Å; I74-V78 WeakPolarHBondContact O-CG2 3.46Å; I74-V78 PolarHBondContact O-N 3.02Å
75G77.6Confident75.6Confident10 Ų1049.2 Ų49.210%0.10326%0.264CS..Hα-helixtrans-70.9-30-17400000113.2I69 S72 E73 V78 V79I69-G75 WeakPolarHBondContact CG2-O 3.37Å; I69-G75 CarbonylContact O-C 3.6Å; I69-G75 VanDerWaalsContact O-C 3.31Å; I69-G75 WeakPolarHBondContact O-CA 3.1Å; S72-G75 PolarHBondContact O-N 2.76Å; E73-G75 VanDerWaalsContact C-N 3.35Å; E73-G75 PolarHBondContact O-N 3.44Å; G75-V78 PolarHBondContact O-N 3.4Å; G75-V79 WeakPolarHBondContact O-CG2 3.26Å; G75-V79 PolarHBondContact O-N 3.14Å
76E77.1Confident76.5Confident11 Ų1144.9 Ų44.95%0.05124%0.242CC..Hα-helixtrans-68.9-43.4172.2-179.8164.2-171.300112.6I69 F70 S72 E73 I74 V78 V79 Q80 K112 P176 R180I69-E76 PolarHBondContact O-N 3.2Å; F70-E76 HydrophobicContact CD1-CB 4.26Å; F70-E76 HydrophobicContact CD1-CG 4.41Å; S72-E76 PolarHBondContact O-N 3.15Å; E73-E76 PolarHBondContact O-N 3.47Å; I74-E76 PolarHBondContact O-N 3.44Å; E76-V78 VanDerWaalsContact C-N 3.31Å; E76-V78 PolarHBondContact O-N 3.48Å; E76-V79 PolarHBondContact O-N 3Å; E76-Q80 PolarHBondContact O-N 3.22Å; E76-K112 IonicContact OE1-NZ 3.91Å; E76-K112 PolarHBondContact OE1-NZ 2.88Å; E76-P176 WeakPolarHBondContact OE2-CG 3.29Å; E76-R180 IonicContact OE1-NH2 2.91Å; E76-R180 IonicContact OE2-CZ 2.7Å; E76-R180 IonicContact OE2-NH1 3.39Å; E76-R180 PolarHBondContact OE2-NH1 2.83Å; E76-R180 IonicContact OE2-NH2 2.68Å; E76-R180 PolarHBondContact OE2-NH2 3.05Å
77T84.3Confident77.6Confident32 Ų3244.7 Ų44.720%0.19624%0.24CC..Hα-helixtrans-60.5-43.4172.8-64.20000110.6E73 I74 V79 Q80 V81 A170 F171E73-T77 PolarHBondContact O-N 3.44Å; I74-T77 PolarHBondContact O-N 2.86Å; T77-V79 PolarHBondContact O-N 3.33Å; T77-Q80 PolarHBondContact O-N 2.78Å; T77-V81 HydrophobicContact CG2-CG2 4.28Å; T77-V81 WeakPolarHBondContact O-CG2 3.47Å; T77-V81 PolarHBondContact O-N 2.71Å; T77-A170 HydrophobicContact CG2-CB 4.45Å; T77-A170 WeakPolarHBondContact CG2-O 3.11Å; T77-A170 PolarHBondContact OG1-O 2.96Å; T77-A170 VanDerWaalsContact OG1-O 3.11Å; T77-F171 HydrophobicContact CG2-CD1 3.98Å; T77-F171 HydrophobicContact CG2-CE1 4.07Å
78V86Confident78.7Confident68 Ų6839.9 Ų39.941%0.41223%0.227SC..Hα-helixtrans-59.4-45.5176.31690000111.4I74 G75 E76 Q80 V81 L82I74-V78 HydrophobicContact CG2-CG2 4.09Å; I74-V78 WeakPolarHBondContact O-CB 3.27Å; I74-V78 WeakPolarHBondContact O-CG2 3.46Å; I74-V78 PolarHBondContact O-N 3.02Å; G75-V78 PolarHBondContact O-N 3.4Å; E76-V78 VanDerWaalsContact C-N 3.31Å; E76-V78 PolarHBondContact O-N 3.48Å; V78-Q80 VanDerWaalsContact C-N 3.33Å; V78-Q80 PolarHBondContact O-N 2.91Å; V78-V81 PolarHBondContact O-N 2.85Å; V78-L82 HydrophobicContact CG1-CD1 3.69Å; V78-L82 HydrophobicContact CG1-CG 4.23Å; V78-L82 WeakPolarHBondContact O-CB 3.38Å; V78-L82 VanDerWaalsContact O-CG 3.23Å; V78-L82 WeakPolarHBondContact O-CG 3.15Å; V78-L82 PolarHBondContact O-N 2.68Å
79V85.1Confident79.8Confident3 Ų336.6 Ų36.62%0.01820%0.2CC..Hα-helixtrans-60.8-42176.6169.20000111.5I69 F70 G75 E76 T77 L82 M83 F108 K112I69-V79 HydrophobicContact CG2-CG2 3.46Å; I69-V79 VanDerWaalsContact CG2-CG2 3.46Å; F70-V79 HydrophobicContact CE1-CB 4.37Å; F70-V79 HydrophobicContact CE1-CG1 4.27Å; F70-V79 HydrophobicContact CE1-CG2 4.29Å; F70-V79 HydrophobicContact CE2-CG2 4.39Å; F70-V79 HydrophobicContact CZ-CB 4.31Å; F70-V79 HydrophobicContact CZ-CG1 3.98Å; F70-V79 HydrophobicContact CZ-CG2 3.95Å; G75-V79 WeakPolarHBondContact O-CG2 3.26Å; G75-V79 PolarHBondContact O-N 3.14Å; E76-V79 PolarHBondContact O-N 3Å; T77-V79 PolarHBondContact O-N 3.33Å; V79-L82 PolarHBondContact O-N 3.46Å; V79-M83 WeakPolarHBondContact O-CB 3.33Å; V79-M83 PolarHBondContact O-N 3.03Å; V79-F108 HydrophobicContact CG1-CB 4.31Å; V79-F108 HydrophobicContact CG1-CD1 4.35Å; V79-F108 HydrophobicContact CG2-CD1 4.49Å; V79-K112 HydrophobicContact CG1-CB 4.18Å
80Q87.5Confident80.3Confident3 Ų335.7 Ų35.71%0.01419%0.193CC..Hα-helixtrans-68.1-40177.7-71.3-171.644.200112.4E76 T77 V78 M83 V84 K112 A170 T173E76-Q80 PolarHBondContact O-N 3.22Å; T77-Q80 PolarHBondContact O-N 2.78Å; V78-Q80 VanDerWaalsContact C-N 3.33Å; V78-Q80 PolarHBondContact O-N 2.91Å; Q80-M83 WeakPolarHBondContact O-CB 3.32Å; Q80-M83 PolarHBondContact O-N 2.85Å; Q80-V84 VanDerWaalsContact O-CG2 3.32Å; Q80-V84 WeakPolarHBondContact O-CG2 3.43Å; Q80-V84 PolarHBondContact O-N 2.9Å; Q80-K112 HydrophobicContact CG-CD 4.15Å; Q80-K112 HydrophobicContact CG-CG 4.48Å; Q80-A170 HydrophobicContact CB-CB 3.55Å; Q80-T173 PolarHBondContact NE2-OG1 2.87Å; Q80-T173 PolarHBondContact OE1-OG1 2.75Å; Q80-T173 VanDerWaalsContact OE1-OG1 3.05Å
81V89.6Confident81.1Confident50 Ų5037.9 Ų37.930%0.30320%0.203SC..Hα-helixtrans-63.9-42.1174.5171.80000110.8T77 V78 M83 V84 S85 A170T77-V81 HydrophobicContact CG2-CG2 4.28Å; T77-V81 WeakPolarHBondContact O-CG2 3.47Å; T77-V81 PolarHBondContact O-N 2.71Å; V78-V81 PolarHBondContact O-N 2.85Å; V81-M83 VanDerWaalsContact C-N 3.35Å; V81-V84 PolarHBondContact O-N 3.47Å; V81-S85 PolarHBondContact O-N 3.23Å; V81-A170 HydrophobicContact CG2-CB 3.84Å
82L88.1Confident81.7Confident64 Ų6434 Ų3434%0.33519%0.189SC..Hα-helixtrans-66.6-35.6175.5-70.3171.9000112.2V78 V79 V84 S85 F108V78-L82 HydrophobicContact CG1-CD1 3.69Å; V78-L82 HydrophobicContact CG1-CG 4.23Å; V78-L82 WeakPolarHBondContact O-CB 3.38Å; V78-L82 VanDerWaalsContact O-CG 3.23Å; V78-L82 WeakPolarHBondContact O-CG 3.15Å; V78-L82 PolarHBondContact O-N 2.68Å; V79-L82 PolarHBondContact O-N 3.46Å; L82-V84 VanDerWaalsContact C-N 3.35Å; L82-S85 WeakPolarHBondContact O-CB 3.45Å; L82-S85 PolarHBondContact O-N 3.29Å; L82-S85 PolarHBondContact O-OG 3.42Å; L82-F108 HydrophobicContact CB-CB 4.47Å; L82-F108 HydrophobicContact CB-CD1 4.24Å; L82-F108 HydrophobicContact CB-CD2 3.52Å; L82-F108 HydrophobicContact CB-CE1 4.41Å; L82-F108 HydrophobicContact CB-CE2 3.74Å; L82-F108 HydrophobicContact CB-CG 3.82Å; L82-F108 HydrophobicContact CB-CZ 4.2Å; L82-F108 HydrophobicContact CD1-CD1 4.31Å; L82-F108 HydrophobicContact CD1-CD2 4.44Å; L82-F108 HydrophobicContact CD1-CE1 3.77Å; L82-F108 HydrophobicContact CD1-CE2 3.94Å; L82-F108 HydrophobicContact CD1-CZ 3.58Å; L82-F108 HydrophobicContact CG-CE2 4.29Å; L82-F108 HydrophobicContact CG-CZ 4.41Å
83M87.8Confident81.7Confident2 Ų235.3 Ų35.31%0.0120%0.195CC..Hα-helixtrans-58.7-46.9169.4-178.6-177.29000110.7T14 I17 L21 V79 Q80 V81 S85 G86 A105 F108 A109 K112T14-M83 HydrophobicContact CG2-CE 4.35Å; I17-M83 HydrophobicContact CB-CE 3.88Å; I17-M83 HydrophobicContact CG2-CE 3.59Å; I17-M83 HydrophobicContact CG2-CG 4.48Å; L21-M83 HydrophobicContact CD1-CG 3.52Å; L21-M83 VanDerWaalsContact CD1-O 3.32Å; L21-M83 WeakPolarHBondContact CD1-O 3.32Å; V79-M83 WeakPolarHBondContact O-CB 3.33Å; V79-M83 PolarHBondContact O-N 3.03Å; Q80-M83 WeakPolarHBondContact O-CB 3.32Å; Q80-M83 PolarHBondContact O-N 2.85Å; V81-M83 VanDerWaalsContact C-N 3.35Å; M83-S85 VanDerWaalsContact C-N 3.3Å; M83-S85 PolarHBondContact O-N 3.15Å; M83-G86 PolarHBondContact O-N 3.26Å; M83-A105 WeakPolarHBondContact O-CB 3.49Å; M83-F108 HydrophobicContact CB-CB 4.12Å; M83-A109 HydrophobicContact CG-CB 3.82Å; M83-A109 HydrophobicContact SD-CB 3.88Å; M83-K112 HydrophobicContact SD-CB 4.48Å
84V89Confident81.8Confident3 Ų333.9 Ų33.92%0.01820%0.195CC..Hα-helixtrans-67.9-28.4179.1177.70000112.6I17 Q80 V81 L82 G86 L87 S163 I167I17-V84 HydrophobicContact CD1-CG2 4.13Å; I17-V84 HydrophobicContact CG2-CG2 4.46Å; Q80-V84 VanDerWaalsContact O-CG2 3.32Å; Q80-V84 WeakPolarHBondContact O-CG2 3.43Å; Q80-V84 PolarHBondContact O-N 2.9Å; V81-V84 PolarHBondContact O-N 3.47Å; L82-V84 VanDerWaalsContact C-N 3.35Å; V84-G86 PolarHBondContact O-N 2.9Å; V84-L87 HydrophobicContact CG1-CD1 4.35Å; V84-L87 WeakPolarHBondContact O-CB 3.35Å; V84-L87 PolarHBondContact O-N 2.81Å; V84-S163 WeakPolarHBondContact CG1-O 3.42Å; V84-I167 HydrophobicContact CB-CG1 4.49Å; V84-I167 HydrophobicContact CG1-CG1 3.95Å
85S85Confident81.5Confident30 Ų3030.5 Ų30.521%0.2118%0.18CC..Hα-helixtrans-55.7-26.6178.8800000113.5V81 L82 M83 L87 L88 S89V81-S85 PolarHBondContact O-N 3.23Å; L82-S85 WeakPolarHBondContact O-CB 3.45Å; L82-S85 PolarHBondContact O-N 3.29Å; L82-S85 PolarHBondContact O-OG 3.42Å; M83-S85 VanDerWaalsContact C-N 3.3Å; M83-S85 PolarHBondContact O-N 3.15Å; S85-L87 VanDerWaalsContact C-N 3.27Å; S85-L87 PolarHBondContact O-N 2.85Å; S85-L88 WeakPolarHBondContact O-CB 3.46Å; S85-L88 PolarHBondContact O-N 2.79Å; S85-L88 VanDerWaalsContact O-N 3.11Å; S85-S89 PolarHBondContact O-N 3.5Å
86G80Confident81.1Confident0 Ų035.7 Ų35.70%020%0.204CC..Hα-helixtrans-57.8-38.2172.700000113R24 M83 V84 L88 S89R24-G86 PolarHBondContact NH1-O 3.01Å; M83-G86 PolarHBondContact O-N 3.26Å; V84-G86 PolarHBondContact O-N 2.9Å; G86-L88 VanDerWaalsContact C-N 3.3Å; G86-L88 PolarHBondContact O-N 3.23Å; G86-S89 WeakPolarHBondContact O-CB 3.32Å; G86-S89 PolarHBondContact O-N 3.27Å; G86-S89 PolarHBondContact O-OG 3.42Å
87L84.9Confident81Confident1 Ų136.8 Ų36.81%0.00522%0.215CC..Hα-helixtrans-66.2-35.2178.2-51.6-177.2000111.3I17 T20 L21 V84 S85 S89 Y90 V152 I162 S163I17-L87 HydrophobicContact CG2-CD1 4.26Å; T20-L87 HydrophobicContact CG2-CD2 4.29Å; L21-L87 HydrophobicContact CD2-CD2 3.59Å; L21-L87 HydrophobicContact CD2-CG 4.31Å; L21-L87 HydrophobicContact CG-CD2 4.17Å; V84-L87 HydrophobicContact CG1-CD1 4.35Å; V84-L87 WeakPolarHBondContact O-CB 3.35Å; V84-L87 PolarHBondContact O-N 2.81Å; S85-L87 VanDerWaalsContact C-N 3.27Å; S85-L87 PolarHBondContact O-N 2.85Å; L87-S89 PolarHBondContact O-N 2.93Å; L87-Y90 PolarHBondContact O-N 3.03Å; L87-V152 HydrophobicContact CB-CG1 4.38Å; L87-V152 HydrophobicContact CD2-CB 4.5Å; L87-V152 HydrophobicContact CD2-CG1 3.63Å; L87-V152 HydrophobicContact CD2-CG2 4.26Å; L87-V152 HydrophobicContact CG-CG1 4.48Å; L87-I162 HydrophobicContact CD1-CG2 3.92Å; L87-S163 WeakPolarHBondContact CB-OG 3.39Å
88L84.3Confident80.4Confident63 Ų6335.4 Ų35.433%0.3321%0.207SC..Hα-helixtrans-70.6-15.7177.6-61.3177.3000113.5S85 G86 Y90 F91S85-L88 WeakPolarHBondContact O-CB 3.46Å; S85-L88 PolarHBondContact O-N 2.79Å; S85-L88 VanDerWaalsContact O-N 3.11Å; G86-L88 VanDerWaalsContact C-N 3.3Å; G86-L88 PolarHBondContact O-N 3.23Å; L88-Y90 PolarHBondContact O-N 2.83Å; L88-F91 HydrophobicContact CB-CD2 4.45Å; L88-F91 HydrophobicContact CD2-CD2 4.2Å; L88-F91 HydrophobicContact CD2-CE2 3.96Å; L88-F91 WeakPolarHBondContact O-CB 3.06Å; L88-F91 VanDerWaalsContact O-CD2 3.31Å; L88-F91 WeakPolarHBondContact O-CD2 3.19Å; L88-F91 PolarHBondContact O-N 2.85Å
89S80.3Confident79.7Confident0 Ų032.9 Ų32.90%019%0.192CC..G310 helixtrans-58.1-15.6172.567.30000113R24 S85 G86 L87 F91 C92 Q98R24-S89 PolarHBondContact NH1-OG 2.84Å; R24-S89 VanDerWaalsContact NH1-OG 3.12Å; R24-S89 PolarHBondContact NH2-OG 3.21Å; S85-S89 PolarHBondContact O-N 3.5Å; G86-S89 WeakPolarHBondContact O-CB 3.32Å; G86-S89 PolarHBondContact O-N 3.27Å; G86-S89 PolarHBondContact O-OG 3.42Å; L87-S89 PolarHBondContact O-N 2.93Å; S89-F91 PolarHBondContact O-N 2.85Å; S89-F91 VanDerWaalsContact O-N 3.12Å; S89-C92 WeakPolarHBondContact O-CB 3.33Å; S89-C92 PolarHBondContact O-N 3.11Å; S89-Q98 VanDerWaalsContact O-CG 3.26Å; S89-Q98 WeakPolarHBondContact O-CG 3.41Å; S89-Q98 PolarHBondContact O-NE2 3.45Å
90Y78.3Confident79.2Confident28 Ų2837.5 Ų37.511%0.1122%0.216CC..G310 helixtrans-51-36.3171-178.5-102.1000112.2L87 L88 Q98 C156 N159 W444 R680L87-Y90 PolarHBondContact O-N 3.03Å; L88-Y90 PolarHBondContact O-N 2.83Å; Y90-Q98 PolarHBondContact O-NE2 3.29Å; Y90-C156 HydrophobicContact CE1-CB 4.44Å; Y90-N159 WeakPolarHBondContact CB-ND2 3.33Å; Y90-N159 VanDerWaalsContact CD1-ND2 3.3Å; Y90-N159 WeakPolarHBondContact CD1-ND2 3.16Å; Y90-N159 WeakPolarHBondContact CD2-ND2 3.13Å; Y90-W444 VanDerWaalsContact CB-CZ2 3.47Å; Y90-W444 AromaticContact CD2-CD2 3.71Å; Y90-W444 HydrophobicContact CD2-CD2 3.71Å; Y90-W444 AromaticContact CD2-CE2 3.71Å; Y90-W444 HydrophobicContact CD2-CE3 4.08Å; Y90-W444 HydrophobicContact CD2-CG 4.06Å; Y90-W444 HydrophobicContact CD2-CH2 4.25Å; Y90-W444 AromaticContact CD2-CZ2 3.99Å; Y90-W444 HydrophobicContact CD2-CZ2 3.99Å; Y90-W444 HydrophobicContact CD2-CZ3 4.34Å; Y90-W444 HydrophobicContact CE2-CD2 4.44Å; Y90-W444 HydrophobicContact CE2-CG 4.45Å; Y90-W444 HydrophobicContact CG-CZ2 4.24Å; Y90-W444 VanDerWaalsContact N-CZ2 3.27Å; Y90-R680 PolarHBondContact O-NE 3.41Å
91F80.4Confident78.8Confident48 Ų4840.1 Ų40.121%0.21123%0.229CC..G310 helixtrans-80.1-17.1-179.2-58.9-60.9000114.1L88 S89 T93 C156 L160 F681L88-F91 HydrophobicContact CB-CD2 4.45Å; L88-F91 HydrophobicContact CD2-CD2 4.2Å; L88-F91 HydrophobicContact CD2-CE2 3.96Å; L88-F91 WeakPolarHBondContact O-CB 3.06Å; L88-F91 VanDerWaalsContact O-CD2 3.31Å; L88-F91 WeakPolarHBondContact O-CD2 3.19Å; L88-F91 PolarHBondContact O-N 2.85Å; S89-F91 PolarHBondContact O-N 2.85Å; S89-F91 VanDerWaalsContact O-N 3.12Å; F91-T93 PolarHBondContact O-N 3.06Å; F91-C156 HydrophobicContact CE1-CB 4.46Å; F91-C156 VanDerWaalsContact CE1-SG 3.55Å; F91-L160 HydrophobicContact CE2-CD2 3.83Å; F91-L160 HydrophobicContact CE2-CG 4.36Å; F91-L160 HydrophobicContact CZ-CD2 3.76Å; F91-L160 HydrophobicContact CZ-CG 3.85Å; F91-F681 HydrophobicContact CB-CZ 4.12Å; F91-F681 AromaticContact CD1-CE1 3.59Å; F91-F681 HydrophobicContact CD1-CE1 3.59Å; F91-F681 AromaticContact CD1-CZ 3.72Å; F91-F681 HydrophobicContact CD1-CZ 3.72Å; F91-F681 HydrophobicContact CE1-CE1 4.16Å; F91-F681 HydrophobicContact CG-CZ 4.4Å
92C76.5Confident78Confident35 Ų3537.9 Ų37.924%0.23622%0.217CC..  trans-72.5130.3-178-65.50000111.2S89 A97 Q98 L101 R680S89-C92 WeakPolarHBondContact O-CB 3.33Å; S89-C92 PolarHBondContact O-N 3.11Å; C92-A97 HydrophobicContact CB-CB 4.3Å; C92-Q98 HydrophobicContact CB-CG 3.73Å; C92-Q98 WeakPolarHBondContact O-CG 3.32Å; C92-Q98 PolarHBondContact O-NE2 3Å; C92-Q98 VanDerWaalsContact O-NE2 3.14Å; C92-L101 WeakPolarHBondContact SG-CD1 3.22Å; C92-R680 PolarHBondContact O-NE 3.03Å; C92-R680 PolarHBondContact O-NH1 2.82Å; C92-R680 PolarHBondContact O-NH2 2.88Å
93T68.2Low77.4Confident78 Ų7835.7 Ų35.748%0.47921%0.205SC..SBendtrans-78.5-32.4-170.4105.70000113.4F91 Q679 R680F91-T93 PolarHBondContact O-N 3.06Å; T93-Q679 HydrophobicContact CG2-CB 4.19Å; T93-R680 VanDerWaalsContact C-NH1 3.25Å; T93-R680 PolarHBondContact O-NH1 2.96Å
94S71.1Confident76.9Confident59 Ų5936.7 Ų36.741%0.41322%0.215SC..SBendtrans-85.2128.2178.9171.10000112.3L96 A97 Q98S94-L96 PolarHBondContact O-N 3.41Å; S94-L96 PolarHBondContact OG-N 3.43Å; S94-A97 PolarHBondContact O-N 3.37Å; S94-A97 VanDerWaalsContact O-N 3.17Å; S94-A97 PolarHBondContact OG-N 2.87Å; S94-Q98 WeakPolarHBondContact O-CG 3.22Å; S94-Q98 PolarHBondContact O-N 2.92Å
95T69.3Low76.6Confident53 Ų5336.5 Ų36.533%0.32521%0.214SC..Hα-helixtrans-55.3-38.9173.6-49.30000111.7Q98 S99 Y442T95-Q98 WeakPolarHBondContact O-CB 3.36Å; T95-Q98 PolarHBondContact O-N 2.84Å; T95-S99 PolarHBondContact O-N 3.14Å; T95-S99 PolarHBondContact O-OG 2.75Å; T95-Y442 WeakPolarHBondContact OG1-CD1 3.32Å
96L70.4Confident76.4Confident118 Ų11835.8 Ų35.862%0.61821%0.209SC*.Hα-helixtrans-65.1-44.9178.5-179.2141.8000111.7S94 Q98 S99 I100S94-L96 PolarHBondContact O-N 3.41Å; S94-L96 PolarHBondContact OG-N 3.43Å; L96-Q98 VanDerWaalsContact C-N 3.29Å; L96-Q98 PolarHBondContact O-N 2.98Å; L96-S99 PolarHBondContact O-N 2.81Å; L96-I100 HydrophobicContact CD2-CD1 3.47Å; L96-I100 VanDerWaalsContact CD2-CD1 3.47Å; L96-I100 HydrophobicContact CD2-CG1 4.45Å; L96-I100 HydrophobicContact CG-CD1 4.13Å; L96-I100 WeakPolarHBondContact O-CG1 3.27Å; L96-I100 PolarHBondContact O-N 3.31Å
97A74.6Confident76.3Confident34 Ų3438.7 Ų38.728%0.28122%0.22SC..Hα-helixtrans-62.5-39.4176.700000111.4C92 S94 I100 L101C92-A97 HydrophobicContact CB-CB 4.3Å; S94-A97 PolarHBondContact O-N 3.37Å; S94-A97 VanDerWaalsContact O-N 3.17Å; S94-A97 PolarHBondContact OG-N 2.87Å; A97-I100 PolarHBondContact O-N 3.07Å; A97-L101 WeakPolarHBondContact O-CB 3.43Å; A97-L101 WeakPolarHBondContact O-CG 3.42Å; A97-L101 PolarHBondContact O-N 2.91Å
98Q72.6Confident76.2Confident4 Ų441 Ų412%0.01923%0.23CC..Hα-helixtrans-62.7-45.7176.1-71.4-167-41.800113S89 Y90 C92 S94 T95 L96 L101 A102S89-Q98 VanDerWaalsContact O-CG 3.26Å; S89-Q98 WeakPolarHBondContact O-CG 3.41Å; S89-Q98 PolarHBondContact O-NE2 3.45Å; Y90-Q98 PolarHBondContact O-NE2 3.29Å; C92-Q98 HydrophobicContact CB-CG 3.73Å; C92-Q98 WeakPolarHBondContact O-CG 3.32Å; C92-Q98 PolarHBondContact O-NE2 3Å; C92-Q98 VanDerWaalsContact O-NE2 3.14Å; S94-Q98 WeakPolarHBondContact O-CG 3.22Å; S94-Q98 PolarHBondContact O-N 2.92Å; T95-Q98 WeakPolarHBondContact O-CB 3.36Å; T95-Q98 PolarHBondContact O-N 2.84Å; L96-Q98 VanDerWaalsContact C-N 3.29Å; L96-Q98 PolarHBondContact O-N 2.98Å; Q98-L101 PolarHBondContact O-N 2.94Å; Q98-A102 VanDerWaalsContact O-CB 3.32Å; Q98-A102 WeakPolarHBondContact O-CB 3.45Å; Q98-A102 PolarHBondContact O-N 3.35Å
99S70.4Confident76.3Confident15 Ų1538.1 Ų38.111%0.10522%0.215CC..Hα-helixtrans-61-48.8176.4-59.70000110.8T95 L96 L101 A102 I103T95-S99 PolarHBondContact O-N 3.14Å; T95-S99 PolarHBondContact O-OG 2.75Å; L96-S99 PolarHBondContact O-N 2.81Å; S99-L101 VanDerWaalsContact C-N 3.35Å; S99-L101 PolarHBondContact O-N 3.43Å; S99-A102 PolarHBondContact O-N 2.81Å; S99-I103 WeakPolarHBondContact O-CD1 3.38Å; S99-I103 WeakPolarHBondContact O-CG1 3.26Å; S99-I103 PolarHBondContact O-N 2.91Å
100I74Confident76.3Confident99 Ų9939.9 Ų39.951%0.50823%0.23SC..Hα-helixtrans-55.3-48.4178.5-68.9173.2000111.6L96 A97 I103 G104L96-I100 HydrophobicContact CD2-CD1 3.47Å; L96-I100 VanDerWaalsContact CD2-CD1 3.47Å; L96-I100 HydrophobicContact CD2-CG1 4.45Å; L96-I100 HydrophobicContact CG-CD1 4.13Å; L96-I100 WeakPolarHBondContact O-CG1 3.27Å; L96-I100 PolarHBondContact O-N 3.31Å; A97-I100 PolarHBondContact O-N 3.07Å; I100-I103 PolarHBondContact O-N 2.69Å; I100-G104 PolarHBondContact O-N 3.22Å
101L79Confident76.3Confident58 Ų5839.4 Ų39.430%0.30423%0.229SC..Hα-helixtrans-67-39.3179.2-71.7173.1000112.8C92 A97 Q98 S99 G104 A105C92-L101 WeakPolarHBondContact SG-CD1 3.22Å; A97-L101 WeakPolarHBondContact O-CB 3.43Å; A97-L101 WeakPolarHBondContact O-CG 3.42Å; A97-L101 PolarHBondContact O-N 2.91Å; Q98-L101 PolarHBondContact O-N 2.94Å; S99-L101 VanDerWaalsContact C-N 3.35Å; S99-L101 PolarHBondContact O-N 3.43Å; L101-G104 PolarHBondContact O-N 3.48Å; L101-A105 VanDerWaalsContact O-CB 3.25Å; L101-A105 WeakPolarHBondContact O-CB 3.5Å; L101-A105 PolarHBondContact O-N 3.38Å
102A74.3Confident76.5Confident4 Ų437.1 Ų37.13%0.03322%0.219CC..Hα-helixtrans-62.6-43.8177.400000111.5Q98 S99 A105 V106Q98-A102 VanDerWaalsContact O-CB 3.32Å; Q98-A102 WeakPolarHBondContact O-CB 3.45Å; Q98-A102 PolarHBondContact O-N 3.35Å; S99-A102 PolarHBondContact O-N 2.81Å; A102-A105 PolarHBondContact O-N 3.21Å; A102-V106 VanDerWaalsContact O-CG2 3.29Å; A102-V106 WeakPolarHBondContact O-CG2 3.32Å; A102-V106 PolarHBondContact O-N 2.84Å
103I74.8Confident76.9Confident18 Ų1835.6 Ų35.69%0.09221%0.208CC..Hα-helixtrans-64.8-48.4176.3-61.1147.3000111.4L45 L49 S99 I100 A105 V106 Y107L45-I103 HydrophobicContact CD1-CD1 3.02Å; L45-I103 HydrophobicContact CD1-CG1 4.15Å; L45-I103 HydrophobicContact CD2-CD1 3.28Å; L45-I103 HydrophobicContact CD2-CG1 3.7Å; L45-I103 HydrophobicContact CG-CD1 3.09Å; L45-I103 HydrophobicContact CG-CG1 3.7Å; L49-I103 HydrophobicContact CD1-CB 4.14Å; L49-I103 HydrophobicContact CD1-CG1 3.87Å; L49-I103 HydrophobicContact CD1-CG2 3.71Å; L49-I103 HydrophobicContact CD2-CG2 3.93Å; L49-I103 HydrophobicContact CG-CB 4.47Å; L49-I103 HydrophobicContact CG-CG2 3.54Å; S99-I103 WeakPolarHBondContact O-CD1 3.38Å; S99-I103 WeakPolarHBondContact O-CG1 3.26Å; S99-I103 PolarHBondContact O-N 2.91Å; I100-I103 PolarHBondContact O-N 2.69Å; I103-A105 PolarHBondContact O-N 3.41Å; I103-V106 PolarHBondContact O-N 3.35Å; I103-V106 VanDerWaalsContact O-N 3.17Å; I103-Y107 PolarHBondContact O-N 3.27Å
104G77.2Confident77.5Confident22 Ų2232.2 Ų32.223%0.22719%0.188CC..Hα-helixtrans-57-44178.900000110.6I100 L101 V106 Y107 F108I100-G104 PolarHBondContact O-N 3.22Å; L101-G104 PolarHBondContact O-N 3.48Å; G104-V106 PolarHBondContact O-N 3.43Å; G104-Y107 WeakPolarHBondContact O-CB 3.42Å; G104-Y107 PolarHBondContact O-N 2.89Å; G104-F108 WeakPolarHBondContact O-CD2 3.37Å; G104-F108 PolarHBondContact O-N 2.92Å
105A82.9Confident77.9Confident0 Ų029.4 Ų29.40%017%0.168CC..Hα-helixtrans-63.3-41.7176.700000113.6L21 M83 L101 A102 I103 Y107 F108 A109L21-A105 HydrophobicContact CD1-CB 4.21Å; L21-A105 HydrophobicContact CD2-CB 3.98Å; M83-A105 WeakPolarHBondContact O-CB 3.49Å; L101-A105 VanDerWaalsContact O-CB 3.25Å; L101-A105 WeakPolarHBondContact O-CB 3.5Å; L101-A105 PolarHBondContact O-N 3.38Å; A102-A105 PolarHBondContact O-N 3.21Å; I103-A105 PolarHBondContact O-N 3.41Å; A105-Y107 VanDerWaalsContact C-N 3.31Å; A105-F108 PolarHBondContact O-N 3.22Å; A105-A109 WeakPolarHBondContact O-CB 3.28Å; A105-A109 PolarHBondContact O-N 2.89Å
106V80.6Confident78.4Confident14 Ų1426.9 Ų26.99%0.08515%0.153CC..Hα-helixtrans-65.2-38174.5175.20000111.1L21 L25 L49 A102 I103 G104 A109 A110L21-V106 HydrophobicContact CB-CG2 4.27Å; L25-V106 HydrophobicContact CB-CG2 3.96Å; L25-V106 HydrophobicContact CD2-CB 4.41Å; L25-V106 HydrophobicContact CD2-CG1 3.95Å; L25-V106 HydrophobicContact CD2-CG2 4.15Å; L25-V106 HydrophobicContact CG-CG2 4.43Å; L49-V106 HydrophobicContact CD2-CB 4.34Å; L49-V106 HydrophobicContact CD2-CG1 4.1Å; A102-V106 VanDerWaalsContact O-CG2 3.29Å; A102-V106 WeakPolarHBondContact O-CG2 3.32Å; A102-V106 PolarHBondContact O-N 2.84Å; I103-V106 PolarHBondContact O-N 3.35Å; I103-V106 VanDerWaalsContact O-N 3.17Å; G104-V106 PolarHBondContact O-N 3.43Å; V106-A109 WeakPolarHBondContact O-CB 2.86Å; V106-A109 PolarHBondContact O-N 2.95Å; V106-A110 WeakPolarHBondContact O-CB 3.41Å; V106-A110 PolarHBondContact O-N 3.03Å
107Y78.1Confident78.8Confident62 Ų6222 Ų2224%0.24313%0.127CC..Hα-helixtrans-59.7-50.2173.5171.3-107.8000111.4S52 I103 G104 A105 A109 A110 M111S52-Y107 WeakPolarHBondContact OG-CD2 3.33Å; I103-Y107 PolarHBondContact O-N 3.27Å; G104-Y107 WeakPolarHBondContact O-CB 3.42Å; G104-Y107 PolarHBondContact O-N 2.89Å; A105-Y107 VanDerWaalsContact C-N 3.31Å; Y107-A109 VanDerWaalsContact C-N 3.3Å; Y107-A109 PolarHBondContact O-N 3.46Å; Y107-A110 PolarHBondContact O-N 2.53Å; Y107-M111 HydrophobicContact CD1-SD 3.91Å; Y107-M111 HydrophobicContact CD2-CG 4.49Å; Y107-M111 HydrophobicContact CE1-CG 4.19Å; Y107-M111 HydrophobicContact CE1-SD 3.21Å; Y107-M111 WeakPolarHBondContact CE1-SD 3.31Å; Y107-M111 HydrophobicContact CE2-CG 4.15Å; Y107-M111 HydrophobicContact CE2-SD 4.08Å; Y107-M111 WeakPolarHBondContact O-CG 3.46Å; Y107-M111 PolarHBondContact O-N 2.99Å; Y107-M111 PolarHBondContact OH-SD 3.4Å
108F83.5Confident78.7Confident48 Ų4822 Ų2221%0.21113%0.125CC..Hα-helixtrans-64.1-34.5176.2-68.4-62.3000112.4V79 L82 M83 G104 A105 M111 K112V79-F108 HydrophobicContact CG1-CB 4.31Å; V79-F108 HydrophobicContact CG1-CD1 4.35Å; V79-F108 HydrophobicContact CG2-CD1 4.49Å; L82-F108 HydrophobicContact CB-CB 4.47Å; L82-F108 HydrophobicContact CB-CD1 4.24Å; L82-F108 HydrophobicContact CB-CD2 3.52Å; L82-F108 HydrophobicContact CB-CE1 4.41Å; L82-F108 HydrophobicContact CB-CE2 3.74Å; L82-F108 HydrophobicContact CB-CG 3.82Å; L82-F108 HydrophobicContact CB-CZ 4.2Å; L82-F108 HydrophobicContact CD1-CD1 4.31Å; L82-F108 HydrophobicContact CD1-CD2 4.44Å; L82-F108 HydrophobicContact CD1-CE1 3.77Å; L82-F108 HydrophobicContact CD1-CE2 3.94Å; L82-F108 HydrophobicContact CD1-CZ 3.58Å; L82-F108 HydrophobicContact CG-CE2 4.29Å; L82-F108 HydrophobicContact CG-CZ 4.41Å; M83-F108 HydrophobicContact CB-CB 4.12Å; G104-F108 WeakPolarHBondContact O-CD2 3.37Å; G104-F108 PolarHBondContact O-N 2.92Å; A105-F108 PolarHBondContact O-N 3.22Å; F108-M111 HydrophobicContact CD1-SD 4.2Å; F108-M111 HydrophobicContact CE1-SD 4.48Å; F108-M111 PolarHBondContact O-N 3.42Å; F108-K112 WeakPolarHBondContact O-CB 3.46Å; F108-K112 PolarHBondContact O-N 3.24Å
109A85.7Confident78.6Confident3 Ų323.6 Ų23.63%0.02513%0.131CC..Hα-helixtrans-62.4-45.5173.200000111.7F18 L21 M83 A105 V106 Y107 K112 F113F18-A109 HydrophobicContact CD2-CB 3.81Å; F18-A109 HydrophobicContact CE2-CB 4.34Å; L21-A109 HydrophobicContact CD1-CB 4.19Å; M83-A109 HydrophobicContact CG-CB 3.82Å; M83-A109 HydrophobicContact SD-CB 3.88Å; A105-A109 WeakPolarHBondContact O-CB 3.28Å; A105-A109 PolarHBondContact O-N 2.89Å; V106-A109 WeakPolarHBondContact O-CB 2.86Å; V106-A109 PolarHBondContact O-N 2.95Å; Y107-A109 VanDerWaalsContact C-N 3.3Å; Y107-A109 PolarHBondContact O-N 3.46Å; A109-K112 PolarHBondContact O-N 2.93Å; A109-F113 WeakPolarHBondContact O-CB 3.5Å; A109-F113 PolarHBondContact O-N 2.98Å
110A80.9Confident78.7Confident38 Ų3823.4 Ų23.431%0.31413%0.129SC..Hα-helixtrans-65.7-39.6175.900000112V106 Y107 T114V106-A110 WeakPolarHBondContact O-CB 3.41Å; V106-A110 PolarHBondContact O-N 3.03Å; Y107-A110 PolarHBondContact O-N 2.53Å; A110-T114 WeakPolarHBondContact O-CB 3.35Å; A110-T114 WeakPolarHBondContact O-CG2 3.46Å; A110-T114 PolarHBondContact O-N 2.84Å; A110-T114 PolarHBondContact O-OG1 3.16Å
111M78.3Confident78.6Confident17 Ų1721.2 Ų21.28%0.08412%0.118CC..Hα-helixtrans-61-45.4172.8-74.1-174.969.700111.8V66 F70 Y107 F108 T114 S115V66-M111 HydrophobicContact CG2-CE 4.07Å; F70-M111 HydrophobicContact CE2-CE 3.91Å; F70-M111 HydrophobicContact CZ-CB 4.34Å; Y107-M111 HydrophobicContact CD1-SD 3.91Å; Y107-M111 HydrophobicContact CD2-CG 4.49Å; Y107-M111 HydrophobicContact CE1-CG 4.19Å; Y107-M111 HydrophobicContact CE1-SD 3.21Å; Y107-M111 WeakPolarHBondContact CE1-SD 3.31Å; Y107-M111 HydrophobicContact CE2-CG 4.15Å; Y107-M111 HydrophobicContact CE2-SD 4.08Å; Y107-M111 WeakPolarHBondContact O-CG 3.46Å; Y107-M111 PolarHBondContact O-N 2.99Å; Y107-M111 PolarHBondContact OH-SD 3.4Å; F108-M111 HydrophobicContact CD1-SD 4.2Å; F108-M111 HydrophobicContact CE1-SD 4.48Å; F108-M111 PolarHBondContact O-N 3.42Å; M111-T114 PolarHBondContact O-N 3.12Å; M111-T114 PolarHBondContact O-OG1 3.34Å; M111-S115 VanDerWaalsContact O-CB 3.3Å; M111-S115 WeakPolarHBondContact O-CB 3.2Å; M111-S115 PolarHBondContact O-N 2.91Å
112K84.1Confident78.1Confident0 Ų022.6 Ų22.60%012%0.12CC..Hα-helixtrans-62.8-49.3178177.855.2177.6154.10111.3T14 E76 V79 Q80 M83 F108 A109 T114 S115 D116T14-K112 HydrophobicContact CG2-CG 4.23Å; E76-K112 IonicContact OE1-NZ 3.91Å; E76-K112 PolarHBondContact OE1-NZ 2.88Å; V79-K112 HydrophobicContact CG1-CB 4.18Å; Q80-K112 HydrophobicContact CG-CD 4.15Å; Q80-K112 HydrophobicContact CG-CG 4.48Å; M83-K112 HydrophobicContact SD-CB 4.48Å; F108-K112 WeakPolarHBondContact O-CB 3.46Å; F108-K112 PolarHBondContact O-N 3.24Å; A109-K112 PolarHBondContact O-N 2.93Å; K112-T114 PolarHBondContact O-N 2.87Å; K112-S115 WeakPolarHBondContact O-CB 3.25Å; K112-S115 PolarHBondContact O-N 2.6Å; K112-D116 WeakPolarHBondContact CE-OD1 3.3Å; K112-D116 WeakPolarHBondContact CE-OD2 3.41Å; K112-D116 IonicContact NZ-OD1 3.95Å; K112-D116 PolarHBondContact NZ-OD1 3.29Å; K112-D116 IonicContact NZ-OD2 3.64Å; K112-D116 PolarHBondContact NZ-OD2 2.82Å; K112-D116 VanDerWaalsContact O-CG 3.31Å; K112-D116 PolarHBondContact O-N 2.88Å
113F85.7Confident78Confident3 Ų323.2 Ų23.21%0.01313%0.125CC..Hα-helixtrans-55-48.9176.3179.5-98.6000112.5F18 A109 S115 D116 I117 Y132 F200 F301 M313F18-F113 HydrophobicContact CD2-CB 4.17Å; F18-F113 HydrophobicContact CE1-CD2 4.46Å; F18-F113 HydrophobicContact CE2-CB 3.72Å; F18-F113 HydrophobicContact CE2-CD2 4.14Å; F18-F113 HydrophobicContact CE2-CG 4.03Å; F18-F113 HydrophobicContact CZ-CB 4.39Å; F18-F113 HydrophobicContact CZ-CD2 4.07Å; F18-F113 HydrophobicContact CZ-CG 4.2Å; A109-F113 WeakPolarHBondContact O-CB 3.5Å; A109-F113 PolarHBondContact O-N 2.98Å; F113-S115 PolarHBondContact O-N 3.14Å; F113-D116 PolarHBondContact O-N 2.76Å; F113-I117 HydrophobicContact CD1-CD1 3.82Å; F113-I117 HydrophobicContact CD2-CD1 4.25Å; F113-I117 HydrophobicContact CE1-CD1 3.29Å; F113-I117 HydrophobicContact CE2-CD1 3.79Å; F113-I117 HydrophobicContact CG-CD1 4.28Å; F113-I117 HydrophobicContact CZ-CD1 3.29Å; F113-I117 WeakPolarHBondContact O-CG1 3.34Å; F113-I117 PolarHBondContact O-N 3.38Å; F113-I117 VanDerWaalsContact O-N 3.11Å; F113-Y132 WeakPolarHBondContact CA-OH 3.3Å; F113-Y132 AromaticContact CD2-CD1 3.93Å; F113-Y132 HydrophobicContact CD2-CD1 3.93Å; F113-Y132 HydrophobicContact CD2-CD2 4.04Å; F113-Y132 AromaticContact CD2-CE1 3.75Å; F113-Y132 HydrophobicContact CD2-CE1 3.75Å; F113-Y132 AromaticContact CD2-CE2 3.89Å; F113-Y132 HydrophobicContact CD2-CE2 3.89Å; F113-Y132 HydrophobicContact CD2-CG 4.11Å; F113-Y132 AromaticContact CD2-CZ 3.76Å; F113-Y132 HydrophobicContact CE2-CD1 4.31Å; F113-Y132 HydrophobicContact CE2-CD2 4.2Å; F113-Y132 HydrophobicContact CE2-CE2 4.47Å; F113-Y132 HydrophobicContact CE2-CG 4.17Å; F113-F200 HydrophobicContact CZ-CZ 4.44Å; F113-F301 AromaticContact CE2-CE1 3.39Å; F113-F301 HydrophobicContact CE2-CE1 3.39Å; F113-F301 AromaticContact CE2-CZ 3.65Å; F113-F301 HydrophobicContact CE2-CZ 3.65Å; F113-F301 HydrophobicContact CZ-CD1 4.39Å; F113-F301 AromaticContact CZ-CE1 3.41Å; F113-F301 HydrophobicContact CZ-CE1 3.41Å; F113-F301 VanDerWaalsContact CZ-CE1 3.41Å; F113-F301 AromaticContact CZ-CZ 3.81Å; F113-F301 HydrophobicContact CZ-CZ 3.81Å; F113-M313 HydrophobicContact CD1-CE 3.98Å; F113-M313 HydrophobicContact CD1-SD 4.25Å; F113-M313 HydrophobicContact CE1-CE 3.87Å; F113-M313 HydrophobicContact CE1-SD 3.74Å
114T80.1Confident78.1Confident8 Ų824 Ų245%0.04913%0.128CC..Hα-helixtrans-68.8-34.4-179.556.80000113R56 A110 M111 K112 S118 I309 M313R56-T114 PolarHBondContact NH2-OG1 2.75Å; A110-T114 WeakPolarHBondContact O-CB 3.35Å; A110-T114 WeakPolarHBondContact O-CG2 3.46Å; A110-T114 PolarHBondContact O-N 2.84Å; A110-T114 PolarHBondContact O-OG1 3.16Å; M111-T114 PolarHBondContact O-N 3.12Å; M111-T114 PolarHBondContact O-OG1 3.34Å; K112-T114 PolarHBondContact O-N 2.87Å; T114-S118 WeakPolarHBondContact O-CB 3.42Å; T114-S118 PolarHBondContact O-N 2.96Å; T114-S118 PolarHBondContact O-OG 3.11Å; T114-I309 HydrophobicContact CG2-CG1 4.17Å; T114-M313 HydrophobicContact CG2-CB 4.43Å; T114-M313 HydrophobicContact CG2-CG 3.83Å
115S78.7Confident78.3Confident0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-63.8-45.6172.1-176.30000111.1F70 M111 K112 F113 I117 S118 R119F70-S115 WeakPolarHBondContact CD1-OG 3.41Å; M111-S115 VanDerWaalsContact O-CB 3.3Å; M111-S115 WeakPolarHBondContact O-CB 3.2Å; M111-S115 PolarHBondContact O-N 2.91Å; K112-S115 WeakPolarHBondContact O-CB 3.25Å; K112-S115 PolarHBondContact O-N 2.6Å; F113-S115 PolarHBondContact O-N 3.14Å; S115-I117 VanDerWaalsContact C-N 3.34Å; S115-I117 PolarHBondContact O-N 3.43Å; S115-S118 PolarHBondContact O-N 2.95Å; S115-S118 PolarHBondContact O-OG 3.39Å; S115-R119 WeakPolarHBondContact O-CA 3.49Å; S115-R119 VanDerWaalsContact O-CB 3.28Å; S115-R119 WeakPolarHBondContact O-CB 3.24Å; S115-R119 PolarHBondContact O-N 3.13Å
116D81.1Confident78.2Confident0 Ų024.4 Ų24.40%012%0.123CC..Hα-helixtrans-61.2-42.7-179.7-70.9-20.5000112K112 F113 L120 A128 Y132K112-D116 WeakPolarHBondContact CE-OD1 3.3Å; K112-D116 WeakPolarHBondContact CE-OD2 3.41Å; K112-D116 IonicContact NZ-OD1 3.95Å; K112-D116 PolarHBondContact NZ-OD1 3.29Å; K112-D116 IonicContact NZ-OD2 3.64Å; K112-D116 PolarHBondContact NZ-OD2 2.82Å; K112-D116 VanDerWaalsContact O-CG 3.31Å; K112-D116 PolarHBondContact O-N 2.88Å; F113-D116 PolarHBondContact O-N 2.76Å; D116-L120 HydrophobicContact CB-CD1 3.85Å; D116-L120 WeakPolarHBondContact O-CB 3.25Å; D116-L120 WeakPolarHBondContact O-CD1 3.34Å; D116-L120 VanDerWaalsContact O-CG 3.25Å; D116-L120 WeakPolarHBondContact O-CG 3.48Å; D116-A128 HydrophobicContact CB-CB 4.17Å; D116-Y132 HydrophobicContact CB-CE2 4.27Å; D116-Y132 PolarHBondContact OD2-OH 2.95Å
117I78.4Confident78.4Confident14 Ų1424.9 Ų24.97%0.07212%0.124CC..Hα-helixtrans-73-39.2-179.2-66.8176.1000112.1F113 S115 K125 F301 I309F113-I117 HydrophobicContact CD1-CD1 3.82Å; F113-I117 HydrophobicContact CD2-CD1 4.25Å; F113-I117 HydrophobicContact CE1-CD1 3.29Å; F113-I117 HydrophobicContact CE2-CD1 3.79Å; F113-I117 HydrophobicContact CG-CD1 4.28Å; F113-I117 HydrophobicContact CZ-CD1 3.29Å; F113-I117 WeakPolarHBondContact O-CG1 3.34Å; F113-I117 PolarHBondContact O-N 3.38Å; F113-I117 VanDerWaalsContact O-N 3.11Å; S115-I117 VanDerWaalsContact C-N 3.34Å; S115-I117 PolarHBondContact O-N 3.43Å; I117-K125 WeakPolarHBondContact O-CD 3.25Å; I117-K125 WeakPolarHBondContact O-CE 3.32Å; I117-K125 PolarHBondContact O-NZ 3.02Å; I117-F301 HydrophobicContact CD1-CD1 4.16Å; I117-F301 HydrophobicContact CD1-CE1 4.03Å; I117-I309 HydrophobicContact CB-CG1 4.45Å; I117-I309 HydrophobicContact CD1-CD1 4.35Å; I117-I309 HydrophobicContact CG2-CD1 4.12Å; I117-I309 HydrophobicContact CG2-CG1 4.16Å
118S72.6Confident78.7Confident36 Ų3622.1 Ų22.125%0.25211%0.114SC..Hα-helixtrans-82-42.1-177.654.50000113.3T114 S115 L182T114-S118 WeakPolarHBondContact O-CB 3.42Å; T114-S118 PolarHBondContact O-N 2.96Å; T114-S118 PolarHBondContact O-OG 3.11Å; S115-S118 PolarHBondContact O-N 2.95Å; S115-S118 PolarHBondContact O-OG 3.39Å; S118-L182 WeakPolarHBondContact O-CD1 2.92Å
119R69.6Low78.9Confident37 Ų3720.3 Ų20.314%0.1411%0.106CC..Hα-helixtrans-102.7-15-161.9-64.4-173.3175.4-163.71.3116.3V66 F70 S115 L182V66-R119 PolarHBondContact O-NH1 2.84Å; V66-R119 PolarHBondContact O-NH2 2.94Å; F70-R119 VanDerWaalsContact CB-NH1 3.3Å; S115-R119 WeakPolarHBondContact O-CA 3.49Å; S115-R119 VanDerWaalsContact O-CB 3.28Å; S115-R119 WeakPolarHBondContact O-CB 3.24Å; S115-R119 PolarHBondContact O-N 3.13Å; R119-L182 HydrophobicContact CB-CD1 4.22Å; R119-L182 WeakPolarHBondContact O-CD1 3.47Å
120L73.2Confident79Confident11 Ų1120.2 Ų20.26%0.05811%0.105CC..SBendtrans-77.9151.5-178.8-66.7177000111.4D116 K124 K125 A128D116-L120 HydrophobicContact CB-CD1 3.85Å; D116-L120 WeakPolarHBondContact O-CB 3.25Å; D116-L120 WeakPolarHBondContact O-CD1 3.34Å; D116-L120 VanDerWaalsContact O-CG 3.25Å; D116-L120 WeakPolarHBondContact O-CG 3.48Å; L120-K124 HydrophobicContact CB-CB 3.9Å; L120-K124 HydrophobicContact CD1-CB 4.23Å; L120-K124 HydrophobicContact CD2-CB 4.15Å; L120-K124 HydrophobicContact CD2-CD 4.38Å; L120-K124 HydrophobicContact CG-CB 4.32Å; L120-K125 HydrophobicContact CB-CG 3.74Å; L120-K125 WeakPolarHBondContact O-CE 3.45Å; L120-K125 WeakPolarHBondContact O-CG 3.47Å; L120-A128 HydrophobicContact CD1-CB 3.81Å
121N71Confident79.5Confident52 Ų5218.4 Ų18.428%0.2789%0.09SC..  trans-65.8155.1168.1-68.2-13.1000110.2A123 K124 K125 D179N121-A123 PolarHBondContact O-N 2.92Å; N121-K124 CarbonylContact O-C 3.45Å; N121-K124 WeakPolarHBondContact O-CA 3.49Å; N121-K124 PolarHBondContact O-N 3.4Å; N121-K125 PolarHBondContact O-N 3.38Å; N121-D179 PolarHBondContact ND2-O 2.88Å; N121-D179 PolarHBondContact OD1-O 2.77Å; N121-D179 VanDerWaalsContact OD1-O 3.08Å
122Y70.4Confident80.2Confident88 Ų8817.8 Ų17.835%0.3459%0.087SC..Hα-helixtrans-47.1-42.8-176.6-85-75.7000114.5K125 K126 H370 I374Y122-K125 PolarHBondContact O-N 3.31Å; Y122-K126 PolarHBondContact O-N 3Å; Y122-H370 AromaticContact CE2-NE2 3.84Å; Y122-H370 AromaticContact CZ-CD2 3.79Å; Y122-H370 AromaticContact CZ-NE2 3.5Å; Y122-H370 PolarHBondContact OH-CD2 3Å; Y122-H370 PolarHBondContact OH-NE2 3.27Å; Y122-I374 HydrophobicContact CD1-CD1 4.34Å; Y122-I374 HydrophobicContact CD1-CG1 3.94Å; Y122-I374 HydrophobicContact CE1-CD1 4.05Å; Y122-I374 HydrophobicContact CE1-CG1 3.93Å
123A70.8Confident80.5Confident16 Ų1618.2 Ų18.213%0.1329%0.089CC..Hα-helixtrans-62.8-48.2176.400000112.1N121 K125 K126 F127 A382N121-A123 PolarHBondContact O-N 2.92Å; A123-K125 PolarHBondContact O-N 3.17Å; A123-K126 WeakPolarHBondContact O-CB 3.46Å; A123-K126 PolarHBondContact O-N 2.7Å; A123-F127 VanDerWaalsContact O-CD2 3.28Å; A123-F127 WeakPolarHBondContact O-CD2 3.32Å; A123-F127 PolarHBondContact O-N 2.85Å; A123-A382 HydrophobicContact CB-CB 3.75Å
124K77.8Confident80.9Confident36 Ų3618 Ų1816%0.1579%0.089CC..Hα-helixtrans-67.6-33.3178.2-66.9180-172.2169.80112Y6 L120 N121 K126 F127 A128 D179Y6-K124 HydrophobicContact CD1-CB 4.39Å; Y6-K124 HydrophobicContact CG-CG 4.48Å; L120-K124 HydrophobicContact CB-CB 3.9Å; L120-K124 HydrophobicContact CD1-CB 4.23Å; L120-K124 HydrophobicContact CD2-CB 4.15Å; L120-K124 HydrophobicContact CD2-CD 4.38Å; L120-K124 HydrophobicContact CG-CB 4.32Å; N121-K124 CarbonylContact O-C 3.45Å; N121-K124 WeakPolarHBondContact O-CA 3.49Å; N121-K124 PolarHBondContact O-N 3.4Å; K124-K126 VanDerWaalsContact C-N 3.32Å; K124-K126 PolarHBondContact O-N 2.78Å; K124-F127 PolarHBondContact O-N 3.45Å; K124-A128 PolarHBondContact O-N 3.49Å; K124-D179 IonicContact NZ-OD2 2.71Å; K124-D179 PolarHBondContact NZ-OD2 2.88Å
125K80Confident81.6Confident20 Ų2017.7 Ų17.79%0.0879%0.086CC..Hα-helixtrans-59.6-40.6171.9-70.3-169-168.9-161.10111.7I117 L120 N121 Y122 A123 A128 F129 I374I117-K125 WeakPolarHBondContact O-CD 3.25Å; I117-K125 WeakPolarHBondContact O-CE 3.32Å; I117-K125 PolarHBondContact O-NZ 3.02Å; L120-K125 HydrophobicContact CB-CG 3.74Å; L120-K125 WeakPolarHBondContact O-CE 3.45Å; L120-K125 WeakPolarHBondContact O-CG 3.47Å; N121-K125 PolarHBondContact O-N 3.38Å; Y122-K125 PolarHBondContact O-N 3.31Å; A123-K125 PolarHBondContact O-N 3.17Å; K125-A128 PolarHBondContact O-N 2.88Å; K125-F129 WeakPolarHBondContact O-CB 3.31Å; K125-F129 PolarHBondContact O-N 2.76Å; K125-I374 HydrophobicContact CB-CG2 4.06Å; K125-I374 HydrophobicContact CD-CD1 4.48Å
126K81.4Confident82.2Confident9 Ų918 Ų184%0.0399%0.088CC..Hα-helixtrans-60.5-45176.2-176.3179.5176.1-174.10111.6Y122 A123 K124 W130 I374 N377 A383 L386Y122-K126 PolarHBondContact O-N 3Å; A123-K126 WeakPolarHBondContact O-CB 3.46Å; A123-K126 PolarHBondContact O-N 2.7Å; K124-K126 VanDerWaalsContact C-N 3.32Å; K124-K126 PolarHBondContact O-N 2.78Å; K126-W130 PolarHBondContact O-N 2.88Å; K126-W130 VanDerWaalsContact O-N 3.13Å; K126-I374 HydrophobicContact CB-CG2 4.48Å; K126-I374 WeakPolarHBondContact CG-O 3.42Å; K126-N377 PolarHBondContact NZ-O 2.88Å; K126-N377 VanDerWaalsContact NZ-O 3.15Å; K126-A383 HydrophobicContact CD-CB 4.43Å; K126-A383 PolarHBondContact NZ-O 3.06Å; K126-L386 HydrophobicContact CD-CB 4.46Å; K126-L386 HydrophobicContact CD-CD2 4.43Å; K126-L386 WeakPolarHBondContact CE-O 3.23Å; K126-L386 HydrophobicContact CG-CD2 4.05Å; K126-L386 PolarHBondContact NZ-O 3.1Å
127F84.8Confident82.9Confident25 Ų2518 Ų1811%0.119%0.088CC..Hα-helixtrans-64.6-43.2174.2-76.1-80.8000112.5Y6 L8 A11 A123 K124 G131 A385 L386Y6-F127 HydrophobicContact CD1-CB 3.49Å; Y6-F127 VanDerWaalsContact CD1-CB 3.49Å; Y6-F127 HydrophobicContact CD1-CG 4.14Å; Y6-F127 HydrophobicContact CE1-CB 3.51Å; L8-F127 HydrophobicContact CB-CD1 3.95Å; L8-F127 HydrophobicContact CB-CE1 4.21Å; L8-F127 HydrophobicContact CD1-CD1 4.23Å; A11-F127 WeakPolarHBondContact CB-O 3.09Å; A123-F127 VanDerWaalsContact O-CD2 3.28Å; A123-F127 WeakPolarHBondContact O-CD2 3.32Å; A123-F127 PolarHBondContact O-N 2.85Å; K124-F127 PolarHBondContact O-N 3.45Å; F127-G131 WeakPolarHBondContact O-CA 3.42Å; F127-G131 PolarHBondContact O-N 3.22Å; F127-A385 HydrophobicContact CZ-CB 4.37Å; F127-L386 HydrophobicContact CD1-CD1 4.08Å; F127-L386 HydrophobicContact CD1-CD2 4.44Å; F127-L386 HydrophobicContact CE1-CB 4.04Å; F127-L386 HydrophobicContact CE1-CD1 3.69Å; F127-L386 HydrophobicContact CE1-CG 4.32Å; F127-L386 HydrophobicContact CZ-CB 3.97Å; F127-L386 HydrophobicContact CZ-CD1 4.44Å
128A85.4Confident83.7Confident3 Ų318.7 Ų18.73%0.0259%0.091CC..Hα-helixtrans-60.8-47.5177.400000111.2Y6 D116 L120 K124 K125 G131 Y132Y6-A128 HydrophobicContact CE1-CB 4.41Å; D116-A128 HydrophobicContact CB-CB 4.17Å; L120-A128 HydrophobicContact CD1-CB 3.81Å; K124-A128 PolarHBondContact O-N 3.49Å; K125-A128 PolarHBondContact O-N 2.88Å; A128-G131 WeakPolarHBondContact O-CA 3.28Å; A128-G131 PolarHBondContact O-N 3.09Å; A128-G131 VanDerWaalsContact O-N 3.17Å; A128-Y132 HydrophobicContact CB-CE2 4.48Å; A128-Y132 WeakPolarHBondContact O-CD2 3.37Å; A128-Y132 PolarHBondContact O-N 3.47Å
129F86.6Confident84.7Confident11 Ų1117 Ų175%0.0488%0.079CC..Hα-helixtrans-55.2-54.2176.9163.8-107.7000112.7K125 G131 Y132 T133 P298 F301 A375K125-F129 WeakPolarHBondContact O-CB 3.31Å; K125-F129 PolarHBondContact O-N 2.76Å; F129-G131 VanDerWaalsContact C-N 3.26Å; F129-G131 PolarHBondContact O-N 3.5Å; F129-Y132 PolarHBondContact O-N 3.17Å; F129-T133 WeakPolarHBondContact CE2-OG1 3.48Å; F129-T133 PolarHBondContact O-N 2.9Å; F129-T133 PolarHBondContact O-OG1 2.79Å; F129-P298 HydrophobicContact CE1-CB 4.13Å; F129-P298 HydrophobicContact CE2-CB 4.34Å; F129-P298 HydrophobicContact CZ-CB 3.5Å; F129-P298 HydrophobicContact CZ-CG 3.83Å; F129-F301 HydrophobicContact CD2-CB 3.26Å; F129-F301 AromaticContact CD2-CD1 3.76Å; F129-F301 HydrophobicContact CD2-CD1 3.76Å; F129-F301 AromaticContact CD2-CD2 3.71Å; F129-F301 HydrophobicContact CD2-CD2 3.71Å; F129-F301 HydrophobicContact CD2-CE1 4.43Å; F129-F301 HydrophobicContact CD2-CE2 4.39Å; F129-F301 AromaticContact CD2-CG 3.33Å; F129-F301 HydrophobicContact CD2-CG 3.33Å; F129-F301 HydrophobicContact CE2-CB 3.39Å; F129-F301 HydrophobicContact CE2-CD1 4.37Å; F129-F301 AromaticContact CE2-CD2 3.48Å; F129-F301 HydrophobicContact CE2-CD2 3.48Å; F129-F301 VanDerWaalsContact CE2-CD2 3.48Å; F129-F301 HydrophobicContact CE2-CE2 4.26Å; F129-F301 AromaticContact CE2-CG 3.53Å; F129-F301 HydrophobicContact CE2-CG 3.53Å; F129-F301 HydrophobicContact CG-CB 4.35Å; F129-A375 HydrophobicContact CD1-CB 3.78Å; F129-A375 HydrophobicContact CE1-CB 3.47Å; F129-A375 VanDerWaalsContact CE1-CB 3.47Å; F129-A375 HydrophobicContact CZ-CB 4.22Å
130W88.8Confident85.8Confident0 Ų015.6 Ų15.60%07%0.074CC..Hα-helixtrans-68.3-29178.3-79.4111.2000112L8 K126 T133 L134 A375 F376 L386 I391L8-W130 HydrophobicContact CD1-CB 3.75Å; K126-W130 PolarHBondContact O-N 2.88Å; K126-W130 VanDerWaalsContact O-N 3.13Å; W130-T133 HydrophobicContact CE3-CG2 4.19Å; W130-T133 HydrophobicContact CZ3-CG2 4.09Å; W130-T133 PolarHBondContact O-N 2.79Å; W130-L134 WeakPolarHBondContact O-CB 3.32Å; W130-L134 VanDerWaalsContact O-CG 3.24Å; W130-L134 WeakPolarHBondContact O-CG 3.34Å; W130-L134 PolarHBondContact O-N 3.31Å; W130-A375 PolarHBondContact NE1-O 2.74Å; W130-A375 VanDerWaalsContact NE1-O 3.13Å; W130-F376 AromaticContact CZ2-CE1 3.96Å; W130-F376 HydrophobicContact CZ2-CE1 3.96Å; W130-L386 HydrophobicContact CB-CD2 4.19Å; W130-L386 HydrophobicContact CG-CD2 4.09Å; W130-I391 HydrophobicContact CD2-CD1 3.83Å; W130-I391 HydrophobicContact CD2-CG1 3.92Å; W130-I391 HydrophobicContact CD2-CG2 3.77Å; W130-I391 VanDerWaalsContact CE2-CD1 3.42Å; W130-I391 HydrophobicContact CE3-CG1 4.43Å; W130-I391 HydrophobicContact CE3-CG2 3.47Å; W130-I391 VanDerWaalsContact CE3-CG2 3.47Å; W130-I391 HydrophobicContact CG-CD1 3.92Å; W130-I391 HydrophobicContact CG-CG1 4.02Å; W130-I391 HydrophobicContact CH2-CG2 3.59Å; W130-I391 HydrophobicContact CZ2-CD1 3.96Å; W130-I391 HydrophobicContact CZ2-CG2 3.85Å; W130-I391 HydrophobicContact CZ3-CG2 3.38Å; W130-I391 VanDerWaalsContact NE1-CD1 3.27Å
131G91.5Very high86.8Confident0 Ų015.3 Ų15.30%07%0.073CC..Hα-helixtrans-62.3-48.7171.600000113.1A11 T12 F127 A128 F129 T133 G135A11-G131 VanDerWaalsContact C-CA 3.4Å; A11-G131 CarbonylContact O-C 3.58Å; A11-G131 WeakPolarHBondContact O-CA 3.37Å; T12-G131 WeakPolarHBondContact CA-O 3.47Å; F127-G131 WeakPolarHBondContact O-CA 3.42Å; F127-G131 PolarHBondContact O-N 3.22Å; A128-G131 WeakPolarHBondContact O-CA 3.28Å; A128-G131 PolarHBondContact O-N 3.09Å; A128-G131 VanDerWaalsContact O-N 3.17Å; F129-G131 VanDerWaalsContact C-N 3.26Å; F129-G131 PolarHBondContact O-N 3.5Å; G131-T133 VanDerWaalsContact C-N 3.33Å; G131-T133 PolarHBondContact O-N 3.16Å; G131-G135 WeakPolarHBondContact O-CA 3.5Å; G131-G135 PolarHBondContact O-N 3.28Å
132Y91.6Very high87.8Confident4 Ų414 Ų142%0.0167%0.067CC..Hα-helixtrans-62.9-40.7174-72.7-73.5000111.6T14 F18 W19 F113 D116 A128 F129 G135 L136T14-Y132 HydrophobicContact CG2-CE1 4.48Å; F18-Y132 HydrophobicContact CB-CD1 4.12Å; F18-Y132 HydrophobicContact CB-CE1 3.78Å; F18-Y132 AromaticContact CD1-CD1 3.97Å; F18-Y132 HydrophobicContact CD1-CD1 3.97Å; F18-Y132 HydrophobicContact CD1-CE1 4.18Å; F18-Y132 HydrophobicContact CD2-CE1 4.1Å; F18-Y132 HydrophobicContact CG-CD1 4.01Å; F18-Y132 AromaticContact CG-CE1 3.75Å; F18-Y132 HydrophobicContact CG-CE1 3.75Å; W19-Y132 PolarHBondContact NE1-O 3.46Å; F113-Y132 WeakPolarHBondContact CA-OH 3.3Å; F113-Y132 AromaticContact CD2-CD1 3.93Å; F113-Y132 HydrophobicContact CD2-CD1 3.93Å; F113-Y132 HydrophobicContact CD2-CD2 4.04Å; F113-Y132 AromaticContact CD2-CE1 3.75Å; F113-Y132 HydrophobicContact CD2-CE1 3.75Å; F113-Y132 AromaticContact CD2-CE2 3.89Å; F113-Y132 HydrophobicContact CD2-CE2 3.89Å; F113-Y132 HydrophobicContact CD2-CG 4.11Å; F113-Y132 AromaticContact CD2-CZ 3.76Å; F113-Y132 HydrophobicContact CE2-CD1 4.31Å; F113-Y132 HydrophobicContact CE2-CD2 4.2Å; F113-Y132 HydrophobicContact CE2-CE2 4.47Å; F113-Y132 HydrophobicContact CE2-CG 4.17Å; D116-Y132 HydrophobicContact CB-CE2 4.27Å; D116-Y132 PolarHBondContact OD2-OH 2.95Å; A128-Y132 HydrophobicContact CB-CE2 4.48Å; A128-Y132 WeakPolarHBondContact O-CD2 3.37Å; A128-Y132 PolarHBondContact O-N 3.47Å; F129-Y132 PolarHBondContact O-N 3.17Å; Y132-G135 PolarHBondContact O-N 3.44Å; Y132-L136 PolarHBondContact O-N 3.41Å; Y132-L136 VanDerWaalsContact O-N 3.08Å
133T91.7Very high88.8Confident9 Ų99.8 Ų9.86%0.0555%0.051CC..Hα-helixtrans-66.7-50.3179.6-54.90000112.1F129 W130 G131 G135 L136 V137 L249F129-T133 WeakPolarHBondContact CE2-OG1 3.48Å; F129-T133 PolarHBondContact O-N 2.9Å; F129-T133 PolarHBondContact O-OG1 2.79Å; W130-T133 HydrophobicContact CE3-CG2 4.19Å; W130-T133 HydrophobicContact CZ3-CG2 4.09Å; W130-T133 PolarHBondContact O-N 2.79Å; G131-T133 VanDerWaalsContact C-N 3.33Å; G131-T133 PolarHBondContact O-N 3.16Å; T133-G135 VanDerWaalsContact C-N 3.28Å; T133-G135 PolarHBondContact O-N 3.05Å; T133-L136 WeakPolarHBondContact O-CB 3.42Å; T133-L136 PolarHBondContact O-N 2.99Å; T133-V137 WeakPolarHBondContact O-CG2 3.42Å; T133-V137 PolarHBondContact O-N 3.46Å; T133-L249 HydrophobicContact CG2-CD1 3.98Å; T133-L249 HydrophobicContact CG2-CD2 3.72Å
134L94Very high89.7Confident0 Ų09.2 Ų9.20%05%0.045CC..Hα-helixtrans-64.3-36175.8-70.3174.3000111L8 T12 W130 L136 V137 F138 W394 L395L8-L134 HydrophobicContact CD1-CD1 4.07Å; L8-L134 HydrophobicContact CD2-CD1 3.72Å; L8-L134 HydrophobicContact CG-CD1 3.98Å; T12-L134 HydrophobicContact CG2-CB 3.79Å; W130-L134 WeakPolarHBondContact O-CB 3.32Å; W130-L134 VanDerWaalsContact O-CG 3.24Å; W130-L134 WeakPolarHBondContact O-CG 3.34Å; W130-L134 PolarHBondContact O-N 3.31Å; L134-L136 VanDerWaalsContact C-N 3.32Å; L134-L136 PolarHBondContact O-N 3.45Å; L134-V137 PolarHBondContact O-N 2.98Å; L134-V137 VanDerWaalsContact O-N 3.14Å; L134-F138 HydrophobicContact CB-CD2 4.32Å; L134-F138 HydrophobicContact CB-CE2 4.43Å; L134-F138 VanDerWaalsContact O-CD2 3.22Å; L134-F138 WeakPolarHBondContact O-CD2 3.23Å; L134-F138 PolarHBondContact O-N 3.47Å; L134-W394 HydrophobicContact CD1-CB 3.97Å; L134-W394 HydrophobicContact CD1-CD2 4.42Å; L134-W394 HydrophobicContact CD1-CG 4.11Å; L134-W394 HydrophobicContact CD2-CB 3.86Å; L134-L395 HydrophobicContact CD2-CD2 3.85Å; L134-L395 HydrophobicContact CD2-CG 4.3Å
135G94Very high90.4Very high0 Ų010.4 Ų10.40%05%0.053CC..Hα-helixtrans-56.6-43.6173.500000112.5G131 Y132 T133 L139G131-G135 WeakPolarHBondContact O-CA 3.5Å; G131-G135 PolarHBondContact O-N 3.28Å; Y132-G135 PolarHBondContact O-N 3.44Å; T133-G135 VanDerWaalsContact C-N 3.28Å; T133-G135 PolarHBondContact O-N 3.05Å; G135-L139 WeakPolarHBondContact O-CB 3.41Å; G135-L139 PolarHBondContact O-N 2.78Å
136L92.5Very high90.7Very high6 Ų614 Ų143%0.0317%0.067CC..Hα-helixtrans-64.2-46.4172.9-178.859.1000111.4W19 F23 Y132 T133 L134 F138 L139 Q140 T207 F245W19-L136 HydrophobicContact CB-CD1 4.46Å; W19-L136 VanDerWaalsContact CD1-N 3.33Å; W19-L136 HydrophobicContact CD2-CB 4.2Å; W19-L136 HydrophobicContact CD2-CD1 3.94Å; W19-L136 HydrophobicContact CD2-CG 4.49Å; W19-L136 HydrophobicContact CE3-CD1 4.14Å; W19-L136 HydrophobicContact CG-CB 4.09Å; W19-L136 HydrophobicContact CG-CD1 4.06Å; W19-L136 HydrophobicContact CZ2-CD2 4.32Å; F23-L136 HydrophobicContact CE2-CD1 3.87Å; F23-L136 HydrophobicContact CZ-CD1 3.75Å; Y132-L136 PolarHBondContact O-N 3.41Å; Y132-L136 VanDerWaalsContact O-N 3.08Å; T133-L136 WeakPolarHBondContact O-CB 3.42Å; T133-L136 PolarHBondContact O-N 2.99Å; L134-L136 VanDerWaalsContact C-N 3.32Å; L134-L136 PolarHBondContact O-N 3.45Å; L136-F138 PolarHBondContact O-N 2.86Å; L136-L139 WeakPolarHBondContact O-CB 3.41Å; L136-L139 PolarHBondContact O-N 3.3Å; L136-Q140 WeakPolarHBondContact O-CG 3.4Å; L136-Q140 PolarHBondContact O-N 2.9Å; L136-T207 HydrophobicContact CD2-CG2 4.12Å; L136-F245 HydrophobicContact CD2-CZ 4.16Å
137V94.9Very high91.1Very high1 Ų113.9 Ų13.91%0.0067%0.067CC..Hα-helixtrans-59.4-48.4179.9171.90000111.1T133 L134 L139 Q140 V141 F242 V246 L249 L395 A398T133-V137 WeakPolarHBondContact O-CG2 3.42Å; T133-V137 PolarHBondContact O-N 3.46Å; L134-V137 PolarHBondContact O-N 2.98Å; L134-V137 VanDerWaalsContact O-N 3.14Å; V137-L139 VanDerWaalsContact C-N 3.32Å; V137-L139 PolarHBondContact O-N 2.66Å; V137-Q140 WeakPolarHBondContact O-CB 3.28Å; V137-Q140 PolarHBondContact O-N 2.84Å; V137-Q140 VanDerWaalsContact O-N 3.12Å; V137-V141 WeakPolarHBondContact O-CG2 3.31Å; V137-V141 PolarHBondContact O-N 3.23Å; V137-F242 HydrophobicContact CG1-CE2 3.94Å; V137-F242 HydrophobicContact CG1-CZ 3.72Å; V137-V246 HydrophobicContact CG1-CG2 4.41Å; V137-L249 HydrophobicContact CG2-CD1 3.59Å; V137-L395 HydrophobicContact CG1-CD2 4.32Å; V137-L395 HydrophobicContact CG2-CD2 4.13Å; V137-A398 HydrophobicContact CG1-CB 3.57Å
138F94.9Very high91Very high29 Ų2912.9 Ų12.913%0.1276%0.063CC..Hα-helixtrans-68.9-27.9177.3-79.5-70.9000113.2T12 Y16 L134 L136 Q140 V141 S142 W394 A398 M401T12-F138 HydrophobicContact CG2-CD2 3.86Å; T12-F138 HydrophobicContact CG2-CE2 4.35Å; Y16-F138 HydrophobicContact CD2-CB 4.16Å; Y16-F138 HydrophobicContact CE2-CB 4.48Å; L134-F138 HydrophobicContact CB-CD2 4.32Å; L134-F138 HydrophobicContact CB-CE2 4.43Å; L134-F138 VanDerWaalsContact O-CD2 3.22Å; L134-F138 WeakPolarHBondContact O-CD2 3.23Å; L134-F138 PolarHBondContact O-N 3.47Å; L136-F138 PolarHBondContact O-N 2.86Å; F138-Q140 VanDerWaalsContact C-N 3.32Å; F138-V141 HydrophobicContact CD1-CG2 4.42Å; F138-V141 PolarHBondContact O-N 3Å; F138-S142 WeakPolarHBondContact O-CB 3.46Å; F138-S142 PolarHBondContact O-N 3.23Å; F138-S142 PolarHBondContact O-OG 3.48Å; F138-W394 AromaticContact CE2-CE3 3.53Å; F138-W394 HydrophobicContact CE2-CE3 3.53Å; F138-W394 AromaticContact CE2-CZ3 3.94Å; F138-W394 HydrophobicContact CE2-CZ3 3.94Å; F138-W394 AromaticContact CZ-CE3 3.61Å; F138-W394 HydrophobicContact CZ-CE3 3.61Å; F138-W394 AromaticContact CZ-CZ3 3.99Å; F138-W394 HydrophobicContact CZ-CZ3 3.99Å; F138-A398 HydrophobicContact CE1-CB 4.08Å; F138-A398 HydrophobicContact CZ-CB 4.16Å; F138-M401 HydrophobicContact CE1-SD 3.93Å
139L93.2Very high91Very high0 Ų012.8 Ų12.80%06%0.062CC..Hα-helixtrans-63.3-41.2169.3-175.561.9000110.9Y16 W19 T20 F23 G135 L136 V137 S142 R143 L150Y16-L139 HydrophobicContact CD2-CB 4.12Å; Y16-L139 HydrophobicContact CE1-CD1 4.29Å; Y16-L139 HydrophobicContact CE2-CB 4.06Å; Y16-L139 HydrophobicContact CE2-CD1 3.97Å; W19-L139 HydrophobicContact CB-CD2 3.52Å; T20-L139 WeakPolarHBondContact OG1-CD1 3.22Å; F23-L139 HydrophobicContact CD2-CD2 3.62Å; F23-L139 HydrophobicContact CE2-CD2 3.82Å; G135-L139 WeakPolarHBondContact O-CB 3.41Å; G135-L139 PolarHBondContact O-N 2.78Å; L136-L139 WeakPolarHBondContact O-CB 3.41Å; L136-L139 PolarHBondContact O-N 3.3Å; V137-L139 VanDerWaalsContact C-N 3.32Å; V137-L139 PolarHBondContact O-N 2.66Å; L139-S142 WeakPolarHBondContact O-CB 3.32Å; L139-S142 PolarHBondContact O-N 2.96Å; L139-R143 PolarHBondContact O-N 2.74Å; L139-L150 HydrophobicContact CD1-CD2 3.73Å; L139-L150 HydrophobicContact CD2-CD2 4.43Å; L139-L150 HydrophobicContact CG-CD2 4.35Å
140Q92.4Very high90.8Very high8 Ų812.7 Ų12.74%0.0376%0.062CC..Hα-helixtrans-67.5-40.6174.1-58.8-49.8-21.800112.8L136 V137 F138 S142 R143 I144 F211 G212 F242L136-Q140 WeakPolarHBondContact O-CG 3.4Å; L136-Q140 PolarHBondContact O-N 2.9Å; V137-Q140 WeakPolarHBondContact O-CB 3.28Å; V137-Q140 PolarHBondContact O-N 2.84Å; V137-Q140 VanDerWaalsContact O-N 3.12Å; F138-Q140 VanDerWaalsContact C-N 3.32Å; Q140-S142 PolarHBondContact O-N 2.95Å; Q140-R143 PolarHBondContact O-N 3.37Å; Q140-I144 WeakPolarHBondContact O-CG1 3.33Å; Q140-I144 PolarHBondContact O-N 2.93Å; Q140-F211 PolarHBondContact NE2-O 2.94Å; Q140-G212 PolarHBondContact NE2-O 2.92Å; Q140-G212 PolarHBondContact OE1-O 3.08Å; Q140-F242 HydrophobicContact CB-CD2 3.83Å; Q140-F242 HydrophobicContact CB-CE2 3.77Å
141V94.8Very high90.5Very high5 Ų512.9 Ų12.93%0.036%0.064CC..Hα-helixtrans-55.1-44170.8176.30000110.3V137 F138 I144 N145 F242 A398 M401 A402V137-V141 WeakPolarHBondContact O-CG2 3.31Å; V137-V141 PolarHBondContact O-N 3.23Å; F138-V141 HydrophobicContact CD1-CG2 4.42Å; F138-V141 PolarHBondContact O-N 3Å; V141-I144 PolarHBondContact O-N 2.9Å; V141-N145 VanDerWaalsContact O-CG 3.27Å; V141-N145 PolarHBondContact O-N 3.16Å; V141-F242 HydrophobicContact CG2-CE1 4.12Å; V141-F242 HydrophobicContact CG2-CE2 4.31Å; V141-F242 HydrophobicContact CG2-CZ 3.58Å; V141-A398 HydrophobicContact CG2-CB 3.77Å; V141-A398 WeakPolarHBondContact CG2-O 3.47Å; V141-M401 HydrophobicContact CG1-CB 3.78Å; V141-A402 HydrophobicContact CG1-CB 4.37Å; V141-A402 HydrophobicContact CG2-CB 4.25Å
142S92.4Very high90Very high23 Ų2313 Ų1316%0.1617%0.065CC..Hα-helixtrans-63.4-46.3178.5-56.60000111.6Y16 F138 L139 Q140 I144 N145 Y146Y16-S142 WeakPolarHBondContact CE2-OG 3.45Å; Y16-S142 WeakPolarHBondContact OH-CB 3.49Å; Y16-S142 PolarHBondContact OH-OG 2.86Å; F138-S142 WeakPolarHBondContact O-CB 3.46Å; F138-S142 PolarHBondContact O-N 3.23Å; F138-S142 PolarHBondContact O-OG 3.48Å; L139-S142 WeakPolarHBondContact O-CB 3.32Å; L139-S142 PolarHBondContact O-N 2.96Å; Q140-S142 PolarHBondContact O-N 2.95Å; S142-I144 VanDerWaalsContact C-N 3.33Å; S142-I144 PolarHBondContact O-N 2.94Å; S142-N145 PolarHBondContact O-N 3.44Å; S142-N145 VanDerWaalsContact O-N 3.12Å; S142-Y146 WeakPolarHBondContact O-CB 3.2Å; S142-Y146 VanDerWaalsContact O-CD2 3.32Å; S142-Y146 WeakPolarHBondContact O-CD2 3.25Å; S142-Y146 PolarHBondContact O-N 2.74Å
143R90.2Very high89.3Confident1 Ų113 Ų130%0.0047%0.065CC..Hα-helixtrans-60.9-40.5175.7-74.2-174.5175.2-101.818.8112L139 Q140 N145 Y146 T147 S148 L150 G212 G472L139-R143 PolarHBondContact O-N 2.74Å; Q140-R143 PolarHBondContact O-N 3.37Å; R143-N145 VanDerWaalsContact C-N 3.32Å; R143-N145 PolarHBondContact O-N 3.14Å; R143-Y146 CarbonylContact O-C 3.6Å; R143-Y146 PolarHBondContact O-N 3.22Å; R143-T147 PolarHBondContact O-N 3.24Å; R143-T147 VanDerWaalsContact O-N 3.16Å; R143-S148 PolarHBondContact NH1-O 2.9Å; R143-S148 WeakPolarHBondContact O-CA 3.4Å; R143-S148 PolarHBondContact O-N 3.25Å; R143-L150 HydrophobicContact CG-CD2 4.44Å; R143-L150 VanDerWaalsContact CZ-CG 3.44Å; R143-L150 VanDerWaalsContact NH2-CG 3.34Å; R143-G212 VanDerWaalsContact CD-O 3.29Å; R143-G212 WeakPolarHBondContact CD-O 3.19Å; R143-G212 PolarHBondContact NE-O 2.93Å; R143-G212 VanDerWaalsContact NE-O 3.12Å; R143-G472 PolarHBondContact NH1-O 3.13Å; R143-G472 PolarHBondContact NH2-O 2.94Å
144I91.8Very high88.8Confident3 Ų315 Ų152%0.0157%0.072CC..Hα-helixtrans-60.4-43.7173.3-69.1169000110.5Q140 V141 S142 Y146 P214 F242 A402 M406 R409Q140-I144 WeakPolarHBondContact O-CG1 3.33Å; Q140-I144 PolarHBondContact O-N 2.93Å; V141-I144 PolarHBondContact O-N 2.9Å; S142-I144 VanDerWaalsContact C-N 3.33Å; S142-I144 PolarHBondContact O-N 2.94Å; I144-Y146 PolarHBondContact O-N 3.02Å; I144-P214 HydrophobicContact CD1-CG 3.87Å; I144-P214 HydrophobicContact CG1-CG 3.49Å; I144-P214 VanDerWaalsContact CG1-CG 3.49Å; I144-F242 HydrophobicContact CD1-CB 3.74Å; I144-F242 HydrophobicContact CD1-CD1 4.08Å; I144-F242 HydrophobicContact CD1-CD2 4.28Å; I144-F242 HydrophobicContact CD1-CG 3.77Å; I144-A402 HydrophobicContact CD1-CB 3.91Å; I144-A402 HydrophobicContact CG2-CB 4.4Å; I144-M406 HydrophobicContact CG2-CB 4.27Å; I144-M406 HydrophobicContact CG2-CE 3.81Å; I144-R409 WeakPolarHBondContact O-CD 3.08Å; I144-R409 PolarHBondContact O-NH1 3.35Å
145N90.7Very high88.1Confident61 Ų6117.9 Ų17.933%0.3269%0.087SC..Hα-helixtrans-74.4-27.6-177.4-67.4-11.3000113.2V141 S142 R143 G405V141-N145 VanDerWaalsContact O-CG 3.27Å; V141-N145 PolarHBondContact O-N 3.16Å; S142-N145 PolarHBondContact O-N 3.44Å; S142-N145 VanDerWaalsContact O-N 3.12Å; R143-N145 VanDerWaalsContact C-N 3.32Å; R143-N145 PolarHBondContact O-N 3.14Å; N145-G405 WeakPolarHBondContact OD1-CA 3.34Å
146Y87.9Confident87.5Confident96 Ų9620.5 Ų20.538%0.37611%0.105SC..THydrogen-bonded Turntrans-100.323178.8-76.9-95.6000113.4S142 R143 I144 V149 P151 Y154S142-Y146 WeakPolarHBondContact O-CB 3.2Å; S142-Y146 VanDerWaalsContact O-CD2 3.32Å; S142-Y146 WeakPolarHBondContact O-CD2 3.25Å; S142-Y146 PolarHBondContact O-N 2.74Å; R143-Y146 CarbonylContact O-C 3.6Å; R143-Y146 PolarHBondContact O-N 3.22Å; I144-Y146 PolarHBondContact O-N 3.02Å; Y146-V149 WeakPolarHBondContact CB-O 3.41Å; Y146-V149 WeakPolarHBondContact O-CB 3.3Å; Y146-V149 PolarHBondContact O-N 3.03Å; Y146-P151 HydrophobicContact CD2-CB 4.34Å; Y146-P151 HydrophobicContact CD2-CG 3.79Å; Y146-P151 HydrophobicContact CE2-CB 4.25Å; Y146-P151 HydrophobicContact CE2-CG 4.04Å; Y146-P151 HydrophobicContact CG-CG 4.21Å; Y146-Y154 HydrophobicContact CD1-CD1 4.15Å; Y146-Y154 HydrophobicContact CD1-CE1 4.43Å; Y146-Y154 HydrophobicContact CD1-CG 4.32Å; Y146-Y154 AromaticContact CE1-CD1 3.98Å; Y146-Y154 HydrophobicContact CE1-CD1 3.98Å; Y146-Y154 HydrophobicContact CE1-CE1 4.27Å
147T88.1Confident87.3Confident6 Ų626.5 Ų26.54%0.03714%0.136CC..THydrogen-bonded Turntrans51.661.8178.1-500000111.9R143 V149 R409 T478 F479 E482R143-T147 PolarHBondContact O-N 3.24Å; R143-T147 VanDerWaalsContact O-N 3.16Å; T147-V149 PolarHBondContact O-N 3.11Å; T147-R409 VanDerWaalsContact CG2-NH2 3.31Å; T147-R409 PolarHBondContact OG1-NE 3.49Å; T147-R409 PolarHBondContact OG1-NH2 3.37Å; T147-T478 HydrophobicContact CG2-CG2 3.56Å; T147-F479 VanDerWaalsContact CG2-CA 3.46Å; T147-F479 HydrophobicContact CG2-CB 3.99Å; T147-F479 HydrophobicContact CG2-CD2 4Å; T147-F479 HydrophobicContact CG2-CG 4.37Å; T147-E482 PolarHBondContact OG1-OE2 3.4Å
148S83.7Confident86.9Confident5 Ų527 Ų274%0.03514%0.14CC..THydrogen-bonded Turntrans71-22.4-178.4162.90000116.1R143 D213 S474 D475R143-S148 PolarHBondContact NH1-O 2.9Å; R143-S148 WeakPolarHBondContact O-CA 3.4Å; R143-S148 PolarHBondContact O-N 3.25Å; S148-D213 WeakPolarHBondContact CB-OD2 3.1Å; S148-D213 PolarHBondContact OG-OD2 3.21Å; S148-S474 WeakPolarHBondContact OG-CA 3.14Å; S148-D475 PolarHBondContact OG-N 3.33Å
149V84.8Confident86.5Confident1 Ų125.6 Ų25.61%0.00613%0.134CC..  trans-67135.1-177.8-179.10000111.5Y146 T147 P151 Y154 P445 A447 F479Y146-V149 WeakPolarHBondContact CB-O 3.41Å; Y146-V149 WeakPolarHBondContact O-CB 3.3Å; Y146-V149 PolarHBondContact O-N 3.03Å; T147-V149 PolarHBondContact O-N 3.11Å; V149-P151 WeakPolarHBondContact O-CD 3.05Å; V149-Y154 HydrophobicContact CG1-CD2 4.03Å; V149-P445 HydrophobicContact CG1-CB 3.77Å; V149-P445 HydrophobicContact CG1-CG 4.26Å; V149-A447 HydrophobicContact CG2-CB 3.65Å; V149-F479 HydrophobicContact CB-CE2 4.44Å; V149-F479 HydrophobicContact CG2-CD2 3.47Å; V149-F479 VanDerWaalsContact CG2-CD2 3.47Å; V149-F479 HydrophobicContact CG2-CE2 3.64Å; V149-F479 HydrophobicContact CG2-CG 4.35Å
150L83.6Confident86.4Confident8 Ų829 Ų294%0.04215%0.152CC..  trans-62.1124.2165.6-76.5167.4000108.8L139 R143 V152 P445L139-L150 HydrophobicContact CD1-CD2 3.73Å; L139-L150 HydrophobicContact CD2-CD2 4.43Å; L139-L150 HydrophobicContact CG-CD2 4.35Å; R143-L150 HydrophobicContact CG-CD2 4.44Å; R143-L150 VanDerWaalsContact CZ-CG 3.44Å; R143-L150 VanDerWaalsContact NH2-CG 3.34Å; L150-V152 WeakPolarHBondContact CB-O 3.49Å; L150-V152 CarbonylContact O-C 3.28Å; L150-V152 PolarHBondContact O-N 3Å; L150-V152 VanDerWaalsContact O-N 3.14Å; L150-V152 VanDerWaalsContact O-O 3.05Å; L150-P445 HydrophobicContact CB-CG 4.48Å
151P81.8Confident86.3Confident5 Ų530.9 Ų30.93%0.03217%0.169CC..Hα-helixtrans-57.1-33.7177.5-23.431.2000111.7Y146 V149 G153 Y154 S158 I162Y146-P151 HydrophobicContact CD2-CB 4.34Å; Y146-P151 HydrophobicContact CD2-CG 3.79Å; Y146-P151 HydrophobicContact CE2-CB 4.25Å; Y146-P151 HydrophobicContact CE2-CG 4.04Å; Y146-P151 HydrophobicContact CG-CG 4.21Å; V149-P151 WeakPolarHBondContact O-CD 3.05Å; P151-G153 PolarHBondContact O-N 2.98Å; P151-Y154 WeakPolarHBondContact O-CB 3.47Å; P151-Y154 PolarHBondContact O-N 3.12Å; P151-S158 VanDerWaalsContact O-CB 3.24Å; P151-S158 WeakPolarHBondContact O-CB 3.29Å; P151-S158 PolarHBondContact O-OG 3.49Å; P151-I162 HydrophobicContact CB-CD1 3.83Å
152V81.5Confident86.2Confident3 Ų332 Ų322%0.01817%0.174CC..Hα-helixtrans-71.3118166.7-178.50000109.1T20 L87 L150 N159 I162 W444T20-V152 HydrophobicContact CG2-CB 3.66Å; T20-V152 HydrophobicContact CG2-CG1 4.21Å; T20-V152 HydrophobicContact CG2-CG2 3.6Å; L87-V152 HydrophobicContact CB-CG1 4.38Å; L87-V152 HydrophobicContact CD2-CB 4.5Å; L87-V152 HydrophobicContact CD2-CG1 3.63Å; L87-V152 HydrophobicContact CD2-CG2 4.26Å; L87-V152 HydrophobicContact CG-CG1 4.48Å; L150-V152 WeakPolarHBondContact CB-O 3.49Å; L150-V152 CarbonylContact O-C 3.28Å; L150-V152 PolarHBondContact O-N 3Å; L150-V152 VanDerWaalsContact O-N 3.14Å; L150-V152 VanDerWaalsContact O-O 3.05Å; V152-N159 WeakPolarHBondContact CA-OD1 3.29Å; V152-N159 WeakPolarHBondContact CG1-OD1 3.44Å; V152-I162 HydrophobicContact CG2-CB 4.11Å; V152-I162 HydrophobicContact CG2-CD1 3.47Å; V152-I162 VanDerWaalsContact CG2-CD1 3.47Å; V152-I162 HydrophobicContact CG2-CG1 4.38Å; V152-I162 HydrophobicContact CG2-CG2 3.8Å; V152-W444 HydrophobicContact CG1-CH2 4.3Å; V152-W444 HydrophobicContact CG1-CZ3 3.9Å
153G76.9Confident86.1Confident2 Ų231 Ų312%0.02117%0.167CC..Hα-helixtrans103.2-15-175.300000113.4P151 N159 W444P151-G153 PolarHBondContact O-N 2.98Å; G153-N159 PolarHBondContact N-ND2 2.89Å; G153-N159 PolarHBondContact N-OD1 3.36Å; G153-W444 VanDerWaalsContact CA-CE3 3.42Å
154Y79.9Confident86.2Confident53 Ų5336 Ų3621%0.20819%0.194CC..Hα-helixtrans-63.7-51.6-179.9179.1-115.2000112.6Y146 V149 P151 A448 F479Y146-Y154 HydrophobicContact CD1-CD1 4.15Å; Y146-Y154 HydrophobicContact CD1-CE1 4.43Å; Y146-Y154 HydrophobicContact CD1-CG 4.32Å; Y146-Y154 AromaticContact CE1-CD1 3.98Å; Y146-Y154 HydrophobicContact CE1-CD1 3.98Å; Y146-Y154 HydrophobicContact CE1-CE1 4.27Å; V149-Y154 HydrophobicContact CG1-CD2 4.03Å; P151-Y154 WeakPolarHBondContact O-CB 3.47Å; P151-Y154 PolarHBondContact O-N 3.12Å; Y154-A448 HydrophobicContact CD2-CB 4.01Å; Y154-A448 HydrophobicContact CE2-CB 3.72Å; Y154-F479 HydrophobicContact CD2-CZ 4.5Å; Y154-F479 HydrophobicContact CE2-CE2 4.13Å; Y154-F479 AromaticContact CE2-CZ 3.6Å; Y154-F479 HydrophobicContact CE2-CZ 3.6Å
155N80.2Confident86.3Confident59 Ų5939.1 Ų39.132%0.31621%0.212SC..  trans-153.5174.6173.664.231.4000111.3L157 S158 N159N155-L157 VanDerWaalsContact C-N 3.31Å; N155-L157 PolarHBondContact O-N 3.46Å; N155-L157 PolarHBondContact OD1-N 2.97Å; N155-L157 VanDerWaalsContact OD1-N 3.14Å; N155-S158 PolarHBondContact N-OG 2.87Å; N155-S158 PolarHBondContact O-OG 2.71Å; N155-S158 VanDerWaalsContact O-OG 3.05Å; N155-S158 WeakPolarHBondContact OD1-CB 3.31Å; N155-S158 PolarHBondContact OD1-N 3.2Å; N155-S158 PolarHBondContact OD1-OG 3.44Å; N155-S158 VanDerWaalsContact OD1-OG 3.13Å; N155-N159 PolarHBondContact O-N 3.24Å; N155-N159 PolarHBondContact O-ND2 2.98Å
156C82.3Confident86.3Confident56 Ų5636.2 Ų36.238%0.37820%0.197SC..Hα-helixtrans-57.3-44.4177178.60000112Y90 F91 N159 L160Y90-C156 HydrophobicContact CE1-CB 4.44Å; F91-C156 HydrophobicContact CE1-CB 4.46Å; F91-C156 VanDerWaalsContact CE1-SG 3.55Å; C156-N159 PolarHBondContact O-N 2.73Å; C156-L160 WeakPolarHBondContact O-CG 3.24Å; C156-L160 PolarHBondContact O-N 3.17Å
157L86.8Confident86.5Confident131 Ų13134 Ų3469%0.68619%0.191SC*.Hα-helixtrans-64.4-45.1-175-176.467.2000112.3N155 L160 A161N155-L157 VanDerWaalsContact C-N 3.31Å; N155-L157 PolarHBondContact O-N 3.46Å; N155-L157 PolarHBondContact OD1-N 2.97Å; N155-L157 VanDerWaalsContact OD1-N 3.14Å; L157-L160 PolarHBondContact O-N 3.29Å; L157-A161 VanDerWaalsContact O-CB 3.3Å; L157-A161 WeakPolarHBondContact O-CB 3.24Å; L157-A161 PolarHBondContact O-N 3.45Å
158S86.3Confident86.6Confident12 Ų1237.3 Ų37.38%0.08421%0.211CC..Hα-helixtrans-65.8-40.8179.463.10000111.2P151 N155 A161 I162P151-S158 VanDerWaalsContact O-CB 3.24Å; P151-S158 WeakPolarHBondContact O-CB 3.29Å; P151-S158 PolarHBondContact O-OG 3.49Å; N155-S158 PolarHBondContact N-OG 2.87Å; N155-S158 PolarHBondContact O-OG 2.71Å; N155-S158 VanDerWaalsContact O-OG 3.05Å; N155-S158 WeakPolarHBondContact OD1-CB 3.31Å; N155-S158 PolarHBondContact OD1-N 3.2Å; N155-S158 PolarHBondContact OD1-OG 3.44Å; N155-S158 VanDerWaalsContact OD1-OG 3.13Å; S158-A161 PolarHBondContact O-N 2.92Å; S158-I162 WeakPolarHBondContact O-CB 3.23Å; S158-I162 VanDerWaalsContact O-CG1 3.29Å; S158-I162 WeakPolarHBondContact O-CG1 3.33Å; S158-I162 PolarHBondContact O-N 3.38Å
159N87.9Confident86.9Confident0 Ų037.5 Ų37.50%021%0.212CC..Hα-helixtrans-62-46174.3-78.8-21.9000112.3Y90 V152 G153 N155 C156 S163Y90-N159 WeakPolarHBondContact CB-ND2 3.33Å; Y90-N159 VanDerWaalsContact CD1-ND2 3.3Å; Y90-N159 WeakPolarHBondContact CD1-ND2 3.16Å; Y90-N159 WeakPolarHBondContact CD2-ND2 3.13Å; V152-N159 WeakPolarHBondContact CA-OD1 3.29Å; V152-N159 WeakPolarHBondContact CG1-OD1 3.44Å; G153-N159 PolarHBondContact N-ND2 2.89Å; G153-N159 PolarHBondContact N-OD1 3.36Å; N155-N159 PolarHBondContact O-N 3.24Å; N155-N159 PolarHBondContact O-ND2 2.98Å; C156-N159 PolarHBondContact O-N 2.73Å; N159-S163 WeakPolarHBondContact O-CB 3.34Å; N159-S163 PolarHBondContact O-N 3.16Å; N159-S163 PolarHBondContact O-OG 3.1Å
160L90.1Very high87Confident71 Ų7137.4 Ų37.437%0.37221%0.212SC..Hα-helixtrans-62.9-47.9175.9-72.9173.7000111.2F91 C156 L157 I162 S163 L164F91-L160 HydrophobicContact CE2-CD2 3.83Å; F91-L160 HydrophobicContact CE2-CG 4.36Å; F91-L160 HydrophobicContact CZ-CD2 3.76Å; F91-L160 HydrophobicContact CZ-CG 3.85Å; C156-L160 WeakPolarHBondContact O-CG 3.24Å; C156-L160 PolarHBondContact O-N 3.17Å; L157-L160 PolarHBondContact O-N 3.29Å; L160-I162 PolarHBondContact O-N 3.02Å; L160-S163 PolarHBondContact O-N 2.98Å; L160-L164 WeakPolarHBondContact O-CB 3.43Å; L160-L164 VanDerWaalsContact O-CG 3.23Å; L160-L164 WeakPolarHBondContact O-CG 3.3Å; L160-L164 PolarHBondContact O-N 3.46Å
161A91.5Very high87.1Confident48 Ų4843.4 Ų43.440%0.39724%0.238SC..Hα-helixtrans-59.3-48.4-17900000111.9L157 S158 L164 V165L157-A161 VanDerWaalsContact O-CB 3.3Å; L157-A161 WeakPolarHBondContact O-CB 3.24Å; L157-A161 PolarHBondContact O-N 3.45Å; S158-A161 PolarHBondContact O-N 2.92Å; A161-L164 PolarHBondContact O-N 3.47Å; A161-V165 WeakPolarHBondContact O-CG2 3.3Å; A161-V165 PolarHBondContact O-N 2.81Å
162I91.3Very high87.1Confident29 Ų2949.8 Ų49.815%0.14927%0.265CS..Hα-helixtrans-69.2-37.9-179.6-64.2168.3000110.9Y16 L87 P151 V152 S158 L160 V165 G166Y16-I162 HydrophobicContact CE1-CD1 4.49Å; Y16-I162 HydrophobicContact CE1-CG2 4.41Å; L87-I162 HydrophobicContact CD1-CG2 3.92Å; P151-I162 HydrophobicContact CB-CD1 3.83Å; V152-I162 HydrophobicContact CG2-CB 4.11Å; V152-I162 HydrophobicContact CG2-CD1 3.47Å; V152-I162 VanDerWaalsContact CG2-CD1 3.47Å; V152-I162 HydrophobicContact CG2-CG1 4.38Å; V152-I162 HydrophobicContact CG2-CG2 3.8Å; S158-I162 WeakPolarHBondContact O-CB 3.23Å; S158-I162 VanDerWaalsContact O-CG1 3.29Å; S158-I162 WeakPolarHBondContact O-CG1 3.33Å; S158-I162 PolarHBondContact O-N 3.38Å; L160-I162 PolarHBondContact O-N 3.02Å; I162-V165 PolarHBondContact O-N 2.81Å; I162-G166 PolarHBondContact O-N 3.12Å
163S90.8Very high86.5Confident2 Ų250.1 Ų50.11%0.01427%0.267CS..Hα-helixtrans-64.7-42.1175.1-57.40000111.5V84 L87 N159 L160 G166 I167V84-S163 WeakPolarHBondContact CG1-O 3.42Å; L87-S163 WeakPolarHBondContact CB-OG 3.39Å; N159-S163 WeakPolarHBondContact O-CB 3.34Å; N159-S163 PolarHBondContact O-N 3.16Å; N159-S163 PolarHBondContact O-OG 3.1Å; L160-S163 PolarHBondContact O-N 2.98Å; S163-G166 PolarHBondContact O-N 3.3Å; S163-I167 WeakPolarHBondContact O-CB 3.43Å; S163-I167 VanDerWaalsContact O-CG1 3.27Å; S163-I167 WeakPolarHBondContact O-CG1 3.48Å; S163-I167 PolarHBondContact O-N 3.45Å
164L92.6Very high85.6Confident106 Ų10650.7 Ų50.756%0.55527%0.27SS*.Hα-helixtrans-62.3-47.2175.8-75.4169.4000111.2L160 A161 G166 I167 V168L160-L164 WeakPolarHBondContact O-CB 3.43Å; L160-L164 VanDerWaalsContact O-CG 3.23Å; L160-L164 WeakPolarHBondContact O-CG 3.3Å; L160-L164 PolarHBondContact O-N 3.46Å; A161-L164 PolarHBondContact O-N 3.47Å; L164-G166 VanDerWaalsContact C-N 3.26Å; L164-G166 PolarHBondContact O-N 3.02Å; L164-I167 PolarHBondContact O-N 2.96Å; L164-V168 VanDerWaalsContact O-CB 3.3Å; L164-V168 WeakPolarHBondContact O-CB 3.22Å; L164-V168 WeakPolarHBondContact O-CG2 3.43Å; L164-V168 PolarHBondContact O-N 2.96Å
165V92.7Very high84.5Confident67 Ų6756.3 Ų56.341%0.40629%0.291SS..Hα-helixtrans-58-41.8174.61710000110.7V13 A161 I162 N169V13-V165 HydrophobicContact CG1-CG1 3.85Å; V13-V165 HydrophobicContact CG2-CG1 4.34Å; A161-V165 WeakPolarHBondContact O-CG2 3.3Å; A161-V165 PolarHBondContact O-N 2.81Å; I162-V165 PolarHBondContact O-N 2.81Å; V165-N169 WeakPolarHBondContact O-CB 3.46Å; V165-N169 PolarHBondContact O-N 2.86Å
166G91.6Very high83.1Confident1 Ų154.7 Ų54.71%0.0128%0.283CS..Hα-helixtrans-64.4-44.9176.100000114I162 S163 L164 N169 A170I162-G166 PolarHBondContact O-N 3.12Å; S163-G166 PolarHBondContact O-N 3.3Å; L164-G166 VanDerWaalsContact C-N 3.26Å; L164-G166 PolarHBondContact O-N 3.02Å; G166-N169 PolarHBondContact O-N 3.44Å; G166-A170 PolarHBondContact O-N 3.37Å
167I91.4Very high81.5Confident49 Ų4952.8 Ų52.825%0.25127%0.274SS..Hα-helixtrans-65.2-47.3177.8-69.8164.3000110.1V84 S163 L164 N169 A170 F171V84-I167 HydrophobicContact CB-CG1 4.49Å; V84-I167 HydrophobicContact CG1-CG1 3.95Å; S163-I167 WeakPolarHBondContact O-CB 3.43Å; S163-I167 VanDerWaalsContact O-CG1 3.27Å; S163-I167 WeakPolarHBondContact O-CG1 3.48Å; S163-I167 PolarHBondContact O-N 3.45Å; L164-I167 PolarHBondContact O-N 2.96Å; I167-N169 VanDerWaalsContact C-N 3.31Å; I167-N169 PolarHBondContact O-N 3.36Å; I167-A170 WeakPolarHBondContact O-CB 3.23Å; I167-A170 PolarHBondContact O-N 2.72Å; I167-F171 HydrophobicContact CG2-CD2 3.99Å; I167-F171 HydrophobicContact CG2-CE2 3.67Å; I167-F171 WeakPolarHBondContact O-CD2 3.35Å; I167-F171 PolarHBondContact O-N 3.28Å
168V91.5Very high79.6Confident76 Ų7655.9 Ų55.946%0.46128%0.281SS..Hα-helixtrans-56.9-47.9174.7168.90000109.6L164 A170 F171 F172L164-V168 VanDerWaalsContact O-CB 3.3Å; L164-V168 WeakPolarHBondContact O-CB 3.22Å; L164-V168 WeakPolarHBondContact O-CG2 3.43Å; L164-V168 PolarHBondContact O-N 2.96Å; V168-A170 VanDerWaalsContact C-N 3.27Å; V168-A170 PolarHBondContact O-N 3.27Å; V168-F171 PolarHBondContact O-N 2.61Å; V168-F171 VanDerWaalsContact O-N 3.1Å; V168-F172 HydrophobicContact CG1-CD2 3.57Å; V168-F172 HydrophobicContact CG1-CE2 3.73Å; V168-F172 WeakPolarHBondContact O-CD2 3.41Å; V168-F172 PolarHBondContact O-N 3.34Å
169N90.3Very high77.9Confident8 Ų858.4 Ų58.44%0.04329%0.294CS..Hα-helixtrans-59.8-35.2176-168.461.8000112.6Q10 V13 T14 V165 G166 I167 F171 F172 T173Q10-N169 VanDerWaalsContact CA-OD1 3.26Å; Q10-N169 WeakPolarHBondContact CA-OD1 3.37Å; Q10-N169 WeakPolarHBondContact CB-OD1 3.31Å; Q10-N169 WeakPolarHBondContact CG-OD1 3.42Å; Q10-N169 PolarHBondContact O-ND2 3.31Å; V13-N169 HydrophobicContact CB-CB 4.42Å; V13-N169 HydrophobicContact CG1-CB 3.74Å; T14-N169 PolarHBondContact OG1-ND2 2.96Å; T14-N169 VanDerWaalsContact OG1-ND2 3.08Å; V165-N169 WeakPolarHBondContact O-CB 3.46Å; V165-N169 PolarHBondContact O-N 2.86Å; G166-N169 PolarHBondContact O-N 3.44Å; I167-N169 VanDerWaalsContact C-N 3.31Å; I167-N169 PolarHBondContact O-N 3.36Å; N169-F171 VanDerWaalsContact C-N 3.32Å; N169-F171 PolarHBondContact O-N 3.23Å; N169-F172 PolarHBondContact O-N 3.29Å; N169-T173 WeakPolarHBondContact O-CA 3.47Å; N169-T173 VanDerWaalsContact O-CB 3.27Å; N169-T173 WeakPolarHBondContact O-CB 3.37Å; N169-T173 VanDerWaalsContact O-CG2 3.26Å; N169-T173 WeakPolarHBondContact O-CG2 3.3Å; N169-T173 PolarHBondContact O-N 2.86Å; N169-T173 PolarHBondContact O-OG1 2.81Å
170A86.6Confident76.1Confident0 Ų060.2 Ų60.20%030%0.301CS..Hα-helixtrans-64.8-32.1175.900000113.6T77 Q80 V81 G166 I167 V168 T173T77-A170 HydrophobicContact CG2-CB 4.45Å; T77-A170 WeakPolarHBondContact CG2-O 3.11Å; T77-A170 PolarHBondContact OG1-O 2.96Å; T77-A170 VanDerWaalsContact OG1-O 3.11Å; Q80-A170 HydrophobicContact CB-CB 3.55Å; V81-A170 HydrophobicContact CG2-CB 3.84Å; G166-A170 PolarHBondContact O-N 3.37Å; I167-A170 WeakPolarHBondContact O-CB 3.23Å; I167-A170 PolarHBondContact O-N 2.72Å; V168-A170 VanDerWaalsContact C-N 3.27Å; V168-A170 PolarHBondContact O-N 3.27Å; A170-T173 PolarHBondContact O-OG1 3.05Å
171F85.1Confident73.8Confident134 Ų13465 Ų6559%0.58832%0.322SS*.Hα-helixtrans-82.4-30.9176-74.5-72.1000113.4T77 I167 V168 N169T77-F171 HydrophobicContact CG2-CD1 3.98Å; T77-F171 HydrophobicContact CG2-CE1 4.07Å; I167-F171 HydrophobicContact CG2-CD2 3.99Å; I167-F171 HydrophobicContact CG2-CE2 3.67Å; I167-F171 WeakPolarHBondContact O-CD2 3.35Å; I167-F171 PolarHBondContact O-N 3.28Å; V168-F171 PolarHBondContact O-N 2.61Å; V168-F171 VanDerWaalsContact O-N 3.1Å; N169-F171 VanDerWaalsContact C-N 3.32Å; N169-F171 PolarHBondContact O-N 3.23Å
172F80.8Confident71.6Confident139 Ų13966 Ų6661%0.6132%0.32SS*.Hα-helixtrans-93.1-18.4-179.2-74.2-72000114.2Q10 V168 N169 V174Q10-F172 VanDerWaalsContact NE2-C 3.29Å; Q10-F172 PolarHBondContact NE2-O 3.08Å; V168-F172 HydrophobicContact CG1-CD2 3.57Å; V168-F172 HydrophobicContact CG1-CE2 3.73Å; V168-F172 WeakPolarHBondContact O-CD2 3.41Å; V168-F172 PolarHBondContact O-N 3.34Å; N169-F172 PolarHBondContact O-N 3.29Å; F172-V174 PolarHBondContact O-N 2.98Å; F172-V174 VanDerWaalsContact O-N 3.15Å
173T70.7Confident69.2Low10 Ų1071.4 Ų71.46%0.06134%0.344CS..SBendtrans-58.4123.7175.631.20000108.8Q10 Q80 N169 A170 R175Q10-T173 HydrophobicContact CB-CG2 3.95Å; Q10-T173 HydrophobicContact CG-CG2 4.45Å; Q80-T173 PolarHBondContact NE2-OG1 2.87Å; Q80-T173 PolarHBondContact OE1-OG1 2.75Å; Q80-T173 VanDerWaalsContact OE1-OG1 3.05Å; N169-T173 WeakPolarHBondContact O-CA 3.47Å; N169-T173 VanDerWaalsContact O-CB 3.27Å; N169-T173 WeakPolarHBondContact O-CB 3.37Å; N169-T173 VanDerWaalsContact O-CG2 3.26Å; N169-T173 WeakPolarHBondContact O-CG2 3.3Å; N169-T173 PolarHBondContact O-N 2.86Å; N169-T173 PolarHBondContact O-OG1 2.81Å; A170-T173 PolarHBondContact O-OG1 3.05Å; T173-R175 PolarHBondContact O-N 2.89Å; T173-R175 VanDerWaalsContact O-N 3.15Å
174V57.8Low66.8Low14 Ų1479.1 Ų79.19%0.08538%0.384CS..  trans-53.8120-163171.80000111.8P4 Y6 F172 P176P4-V174 HydrophobicContact CB-CG2 4.14Å; P4-V174 HydrophobicContact CG-CG2 4.31Å; P4-V174 WeakPolarHBondContact O-CG1 3.32Å; P4-V174 WeakPolarHBondContact O-CG2 3.44Å; Y6-V174 HydrophobicContact CD2-CB 4.41Å; F172-V174 PolarHBondContact O-N 2.98Å; F172-V174 VanDerWaalsContact O-N 3.15Å; V174-P176 WeakPolarHBondContact O-CD 3.39Å; V174-P176 VanDerWaalsContact O-N 3.12Å
175R56.7Low64.2Low171 Ų17178.9 Ų78.965%0.64538%0.38SS*.  trans-45.5114.7167.6-61.7174.8-166-178.83.5108E73 T173 G177E73-R175 HydrophobicContact CG-CB 4.29Å; E73-R175 WeakPolarHBondContact OE2-CD 3.26Å; T173-R175 PolarHBondContact O-N 2.89Å; T173-R175 VanDerWaalsContact O-N 3.15Å; R175-G177 PolarHBondContact O-N 3.48Å
176P51Low61.6Low24 Ų2481.4 Ų81.416%0.15640%0.396CS..  trans-68.193173.925.8-29.2000107.6E76 V174 R180E76-P176 WeakPolarHBondContact OE2-CG 3.29Å; V174-P176 WeakPolarHBondContact O-CD 3.39Å; V174-P176 VanDerWaalsContact O-N 3.12Å; P176-R180 HydrophobicContact CB-CG 4.03Å; P176-R180 VanDerWaalsContact CG-NH1 3.34Å
177G48.3Very low59.3Low17 Ų1792.3 Ų92.318%0.17544%0.436CS..  trans-57.8-179.2162.700000110.9R175 D179 R180R175-G177 PolarHBondContact O-N 3.48Å; G177-D179 WeakPolarHBondContact O-CA 3.38Å; G177-D179 PolarHBondContact O-N 2.99Å; G177-R180 PolarHBondContact O-N 3.31Å
178K46.8Very low57.5Low195 Ų19593.7 Ų93.785%0.84845%0.447SS*.G310 helixtrans-44.9-14.7-173.4-72.4-178.5175.6179.60116.8R180 Q181K178-R180 PolarHBondContact O-N 3.07Å; K178-Q181 PolarHBondContact O-N 3.25Å
179D49.3Very low56Low66 Ų6699.2 Ų99.235%0.35347%0.465SS..G310 helixtrans-47.3-18167.9-67.9-1.6000116.8N121 K124 G177 Q181N121-D179 PolarHBondContact ND2-O 2.88Å; N121-D179 PolarHBondContact OD1-O 2.77Å; N121-D179 VanDerWaalsContact OD1-O 3.08Å; K124-D179 IonicContact NZ-OD2 2.71Å; K124-D179 PolarHBondContact NZ-OD2 2.88Å; G177-D179 WeakPolarHBondContact O-CA 3.38Å; G177-D179 PolarHBondContact O-N 2.99Å; D179-Q181 PolarHBondContact O-N 3.33Å
180R51.2Low55Low37 Ų37102.9 Ų102.914%0.1448%0.482CS..G310 helixtrans-74.95.7174-97.2-172.5177.4149.716.9114.4F70 E76 P176 G177 K178 L182F70-R180 PolarHBondContact O-NH1 2.95Å; E76-R180 IonicContact OE1-NH2 2.91Å; E76-R180 IonicContact OE2-CZ 2.7Å; E76-R180 IonicContact OE2-NH1 3.39Å; E76-R180 PolarHBondContact OE2-NH1 2.83Å; E76-R180 IonicContact OE2-NH2 2.68Å; E76-R180 PolarHBondContact OE2-NH2 3.05Å; P176-R180 HydrophobicContact CB-CG 4.03Å; P176-R180 VanDerWaalsContact CG-NH1 3.34Å; G177-R180 PolarHBondContact O-N 3.31Å; K178-R180 PolarHBondContact O-N 3.07Å; R180-L182 PolarHBondContact O-N 3.44Å
181Q41.5Very low54.5Low173 Ų173103.1 Ų103.181%0.80848%0.483SS*.  trans-68.971.2162.5-73.5-169.4-19.400110K178 D179 Q183K178-Q181 PolarHBondContact O-N 3.25Å; D179-Q181 PolarHBondContact O-N 3.33Å; Q181-Q183 PolarHBondContact O-N 3.48Å; Q181-Q183 VanDerWaalsContact O-N 3.08Å
182L44.6Very low54.4Low69 Ų6998.2 Ų98.236%0.36147%0.465SS..  trans-60.6112.7164.1-101.6158.3000107.7S118 R119 R180 I184S118-L182 WeakPolarHBondContact O-CD1 2.92Å; R119-L182 HydrophobicContact CB-CD1 4.22Å; R119-L182 WeakPolarHBondContact O-CD1 3.47Å; R180-L182 PolarHBondContact O-N 3.44Å; L182-I184 PolarHBondContact O-N 3.47Å
183Q41.6Very low54.6Low142 Ų14293.7 Ų93.766%0.66444%0.443SS*.  trans-44.9111.1155.2-70.9174.7-56.700107.4Q181 E185Q181-Q183 PolarHBondContact O-N 3.48Å; Q181-Q183 VanDerWaalsContact O-N 3.08Å; Q183-E185 HydrophobicContact CB-CB 4.37Å; Q183-E185 HydrophobicContact CB-CG 3.99Å; Q183-E185 PolarHBondContact NE2-OE1 2.92Å; Q183-E185 PolarHBondContact O-N 3.25Å; Q183-E185 PolarHBondContact OE1-OE1 3.5Å
184I40.8Very low55.4Low163 Ų16397.7 Ų97.784%0.83646%0.461SS*.  trans-68.169.3149.5-54.5171.6000104L182 T186L182-I184 PolarHBondContact O-N 3.47Å; I184-T186 PolarHBondContact O-N 2.87Å; I184-T186 VanDerWaalsContact O-N 3.14Å
185E38.1Very low56.8Low101 Ų101101.7 Ų101.747%0.47248%0.48SS..  trans-61.1118.2164.3-98.4175.3-168.700104.5Q183 R187Q183-E185 HydrophobicContact CB-CB 4.37Å; Q183-E185 HydrophobicContact CB-CG 3.99Å; Q183-E185 PolarHBondContact NE2-OE1 2.92Å; Q183-E185 PolarHBondContact O-N 3.25Å; Q183-E185 PolarHBondContact OE1-OE1 3.5Å; E185-R187 PolarHBondContact O-N 3.49Å
186T37.7Very low58.2Low121 Ų12193.6 Ų93.674%0.74245%0.45SS*.  trans-12.9118.9175.145.10000112.9I184 V188I184-T186 PolarHBondContact O-N 2.87Å; I184-T186 VanDerWaalsContact O-N 3.14Å; T186-V188 VanDerWaalsContact C-N 3.31Å; T186-V188 PolarHBondContact O-N 3.39Å
187R43.2Very low59.9Low230 Ų23092.4 Ų92.487%0.86844%0.443SS*.  trans-4094.1179.2-80.6-171.7-172.7-176.43.4110.7E185E185-R187 PolarHBondContact O-N 3.49Å
188V53.3Low61.9Low78 Ų7894.4 Ų94.447%0.47345%0.451SS..  trans-63.9140.2166.5-179.50000105.2T186 E190T186-V188 VanDerWaalsContact C-N 3.31Å; T186-V188 PolarHBondContact O-N 3.39Å; V188-E190 PolarHBondContact O-N 3.07Å
189K61Low64Low192 Ų19285.1 Ų85.184%0.83541%0.411SS*.  trans-45.8115.1178.8-76.7-176.9176.8-179.90108.8
190E69.7Low65.8Low85 Ų8582.2 Ų82.240%0.39740%0.395SS..  trans-58.9134.9176.2-68.6-176.1-164.100107.3V188 S308V188-E190 PolarHBondContact O-N 3.07Å; E190-S308 WeakPolarHBondContact OE2-CB 3.41Å; E190-S308 PolarHBondContact OE2-OG 2.74Å
191P75.3Confident67.6Low4 Ų480.4 Ų80.43%0.02639%0.388CS..  trans-57.4145.5164.728.1-33.2000107.1W193 V303 H306P191-W193 VanDerWaalsContact C-N 3.33Å; P191-W193 WeakPolarHBondContact O-CA 3.33Å; P191-W193 PolarHBondContact O-N 2.9Å; P191-V303 HydrophobicContact CG-CG1 4.3Å; P191-H306 HydrophobicContact CG-CB 4.28Å
192P83.7Confident69.9Low31 Ų3172.2 Ų72.220%0.20135%0.35CS..  trans-59.399-179.727.7-38.4000109.4E194 M195 V361 F365P192-E194 PolarHBondContact O-N 3.16Å; P192-M195 PolarHBondContact O-N 2.82Å; P192-V361 HydrophobicContact CB-CG1 4.36Å; P192-V361 HydrophobicContact CG-CB 4.37Å; P192-V361 HydrophobicContact CG-CG1 2.96Å; P192-F365 HydrophobicContact CG-CD2 4.1Å; P192-F365 HydrophobicContact CG-CE2 4.19Å
193W84.8Confident72Confident44 Ų4468.9 Ų68.917%0.16733%0.332CS..Hα-helixtrans-72.7-20.7-16363.1-87.5000110.9P191 A197 C307 R311 V315P191-W193 VanDerWaalsContact C-N 3.33Å; P191-W193 WeakPolarHBondContact O-CA 3.33Å; P191-W193 PolarHBondContact O-N 2.9Å; W193-A197 VanDerWaalsContact O-CB 3.28Å; W193-A197 WeakPolarHBondContact O-CB 3.22Å; W193-A197 PolarHBondContact O-N 3.4Å; W193-C307 HydrophobicContact CB-CB 3.88Å; W193-R311 HydrophobicContact CD2-CB 4.23Å; W193-R311 HydrophobicContact CE3-CB 3.77Å; W193-R311 HydrophobicContact CH2-CB 3.59Å; W193-R311 HydrophobicContact CZ2-CB 4.06Å; W193-R311 VanDerWaalsContact CZ3-C 3.48Å; W193-R311 HydrophobicContact CZ3-CB 3.43Å; W193-R311 VanDerWaalsContact CZ3-CB 3.43Å; W193-V315 HydrophobicContact CH2-CG2 4.23Å; W193-V315 HydrophobicContact CZ3-CB 4.47Å; W193-V315 HydrophobicContact CZ3-CG2 3.8Å
194E87.5Confident74.1Confident94 Ų9462.8 Ų62.844%0.43930%0.304SS..Hα-helixtrans-62.9-48.2176.4-57.785.2172.100110.7P192 A197 V198P192-E194 PolarHBondContact O-N 3.16Å; E194-A197 WeakPolarHBondContact O-CB 3.21Å; E194-A197 PolarHBondContact O-N 3.49Å; E194-V198 WeakPolarHBondContact O-CG2 3.39Å; E194-V198 PolarHBondContact O-N 2.63Å
195M86.7Confident76.2Confident98 Ų9855 Ų5548%0.48326%0.264SS..Hα-helixtrans-68.4-39.6-179.7-65.5-179.6176.900111.4P192 A197 V198 G199 G358 V361P192-M195 PolarHBondContact O-N 2.82Å; M195-A197 VanDerWaalsContact C-N 3.27Å; M195-A197 PolarHBondContact O-N 2.6Å; M195-V198 PolarHBondContact O-N 2.79Å; M195-G199 PolarHBondContact O-N 3.34Å; M195-G358 WeakPolarHBondContact O-CA 3.32Å; M195-V361 HydrophobicContact CB-CG2 4.43Å; M195-V361 HydrophobicContact SD-CB 4.47Å; M195-V361 HydrophobicContact SD-CG1 4.25Å; M195-V361 HydrophobicContact SD-CG2 3.48Å; M195-V361 WeakPolarHBondContact SD-CG2 3.19Å
196V86.8Confident78.5Confident1 Ų150.2 Ų50.21%0.00624%0.242CC..Hα-helixtrans-61.9-39.5173.6-1770000110.3F200 V303 L304V196-F200 VanDerWaalsContact O-CB 3.24Å; V196-F200 WeakPolarHBondContact O-CB 3.31Å; V196-F200 PolarHBondContact O-N 2.87Å; V196-V303 HydrophobicContact CB-CG1 4.38Å; V196-V303 HydrophobicContact CG1-CB 4.27Å; V196-V303 HydrophobicContact CG1-CG1 3.83Å; V196-V303 HydrophobicContact CG2-CG1 3.57Å; V196-L304 HydrophobicContact CG1-CD2 3.88Å; V196-L304 HydrophobicContact CG1-CG 4.39Å
197A87Confident80.8Confident0 Ų044.6 Ų44.60%021%0.207CC..Hα-helixtrans-63.5-44.717900000112.3W193 E194 M195 G201 T312 V315 S316W193-A197 VanDerWaalsContact O-CB 3.28Å; W193-A197 WeakPolarHBondContact O-CB 3.22Å; W193-A197 PolarHBondContact O-N 3.4Å; E194-A197 WeakPolarHBondContact O-CB 3.21Å; E194-A197 PolarHBondContact O-N 3.49Å; M195-A197 VanDerWaalsContact C-N 3.27Å; M195-A197 PolarHBondContact O-N 2.6Å; A197-G201 PolarHBondContact O-N 2.79Å; A197-T312 HydrophobicContact CB-CG2 3.71Å; A197-T312 WeakPolarHBondContact CB-O 3.1Å; A197-V315 HydrophobicContact CB-CB 3.65Å; A197-V315 HydrophobicContact CB-CG1 3.65Å; A197-S316 VanDerWaalsContact CA-OG 3.27Å; A197-S316 WeakPolarHBondContact CA-OG 3.48Å; A197-S316 WeakPolarHBondContact O-CA 3.3Å; A197-S316 WeakPolarHBondContact O-CB 3.37Å; A197-S316 PolarHBondContact O-OG 3.01Å
198V89.8Confident82.7Confident58 Ų5833.8 Ų33.835%0.35217%0.167SC..Hα-helixtrans-62.7-54177.6176.20000110.1E194 M195 F200 G201 T202 V315 V319 A354E194-V198 WeakPolarHBondContact O-CG2 3.39Å; E194-V198 PolarHBondContact O-N 2.63Å; M195-V198 PolarHBondContact O-N 2.79Å; V198-F200 VanDerWaalsContact C-N 3.3Å; V198-F200 PolarHBondContact O-N 2.68Å; V198-G201 PolarHBondContact O-N 3.39Å; V198-G201 VanDerWaalsContact O-N 3.13Å; V198-T202 PolarHBondContact O-N 3.47Å; V198-T202 PolarHBondContact O-OG1 2.83Å; V198-T202 VanDerWaalsContact O-OG1 3.1Å; V198-V315 HydrophobicContact CG2-CG1 4.38Å; V198-V319 HydrophobicContact CG2-CG2 4.22Å; V198-A354 HydrophobicContact CG1-CB 4.01Å
199G90.1Very high83.9Confident0 Ų030.3 Ų30.30%015%0.146CC..Hα-helixtrans-59.6-38.5179.700000113.5M195 T202 I203 Y300 A354M195-G199 PolarHBondContact O-N 3.34Å; G199-T202 PolarHBondContact O-N 2.84Å; G199-I203 WeakPolarHBondContact O-CG1 3.36Å; G199-I203 PolarHBondContact O-N 2.79Å; G199-Y300 VanDerWaalsContact C-CE1 3.48Å; G199-Y300 WeakPolarHBondContact CA-OH 3.29Å; G199-A354 VanDerWaalsContact CA-O 3.26Å; G199-A354 WeakPolarHBondContact CA-O 3.49Å
200F87.8Confident84.9Confident5 Ų521.5 Ų21.52%0.02211%0.107CC..Hα-helixtrans-68.4-41.4175.7-175.9-109.7000112.5F113 V196 V198 T202 I203 L204 W297 Y300 L304 M313F113-F200 HydrophobicContact CZ-CZ 4.44Å; V196-F200 VanDerWaalsContact O-CB 3.24Å; V196-F200 WeakPolarHBondContact O-CB 3.31Å; V196-F200 PolarHBondContact O-N 2.87Å; V198-F200 VanDerWaalsContact C-N 3.3Å; V198-F200 PolarHBondContact O-N 2.68Å; F200-T202 VanDerWaalsContact C-N 3.28Å; F200-T202 PolarHBondContact O-N 2.78Å; F200-I203 PolarHBondContact O-N 3Å; F200-L204 WeakPolarHBondContact O-CB 3.03Å; F200-L204 PolarHBondContact O-N 2.97Å; F200-W297 HydrophobicContact CE2-CE3 4.27Å; F200-W297 HydrophobicContact CE2-CH2 4.11Å; F200-W297 AromaticContact CE2-CZ3 3.53Å; F200-W297 HydrophobicContact CE2-CZ3 3.53Å; F200-W297 HydrophobicContact CZ-CH2 4.37Å; F200-W297 AromaticContact CZ-CZ3 3.98Å; F200-W297 HydrophobicContact CZ-CZ3 3.98Å; F200-Y300 HydrophobicContact CB-CD1 3.9Å; F200-Y300 HydrophobicContact CB-CE1 4.17Å; F200-Y300 HydrophobicContact CD2-CD1 4.15Å; F200-Y300 HydrophobicContact CD2-CG 4.43Å; F200-Y300 VanDerWaalsContact N-CE1 3.34Å; F200-L304 HydrophobicContact CB-CD2 4.33Å; F200-L304 HydrophobicContact CD1-CD1 3.99Å; F200-L304 HydrophobicContact CD1-CD2 4.41Å; F200-L304 HydrophobicContact CD2-CD1 3.49Å; F200-L304 VanDerWaalsContact CD2-CD1 3.49Å; F200-L304 HydrophobicContact CD2-CG 4.33Å; F200-L304 HydrophobicContact CE1-CD1 3.95Å; F200-L304 HydrophobicContact CE2-CD1 3.42Å; F200-L304 VanDerWaalsContact CE2-CD1 3.42Å; F200-L304 HydrophobicContact CG-CD1 3.77Å; F200-L304 HydrophobicContact CG-CD2 4.21Å; F200-L304 HydrophobicContact CG-CG 4.39Å; F200-L304 HydrophobicContact CZ-CD1 3.67Å; F200-M313 HydrophobicContact CD1-SD 4.36Å; F200-M313 HydrophobicContact CE1-CE 4.41Å; F200-M313 HydrophobicContact CE1-SD 3.87Å
201G87.8Confident85.7Confident0 Ų017.8 Ų17.80%09%0.09CC..Hα-helixtrans-55.9-45.617300000111.1A197 V198 L204 T205 S316A197-G201 PolarHBondContact O-N 2.79Å; V198-G201 PolarHBondContact O-N 3.39Å; V198-G201 VanDerWaalsContact O-N 3.13Å; G201-L204 WeakPolarHBondContact O-CB 2.94Å; G201-L204 PolarHBondContact O-N 3.43Å; G201-T205 PolarHBondContact O-N 2.86Å; G201-T205 PolarHBondContact O-OG1 3.49Å; G201-S316 WeakPolarHBondContact CA-O 3.38Å
202T89.7Confident86Confident0 Ų017.6 Ų17.60%09%0.089CC..Hα-helixtrans-63.9-45.2177.7-53.10000113.9V198 G199 F200 L204 T205 L206 E323 F351 A354 I355V198-T202 PolarHBondContact O-N 3.47Å; V198-T202 PolarHBondContact O-OG1 2.83Å; V198-T202 VanDerWaalsContact O-OG1 3.1Å; G199-T202 PolarHBondContact O-N 2.84Å; F200-T202 VanDerWaalsContact C-N 3.28Å; F200-T202 PolarHBondContact O-N 2.78Å; T202-L204 VanDerWaalsContact C-N 3.26Å; T202-L204 PolarHBondContact O-N 3.35Å; T202-T205 PolarHBondContact O-N 3.3Å; T202-L206 HydrophobicContact CG2-CD1 4.32Å; T202-L206 HydrophobicContact CG2-CG 4.47Å; T202-L206 WeakPolarHBondContact O-CG 3.43Å; T202-L206 PolarHBondContact O-N 3.02Å; T202-E323 WeakPolarHBondContact CA-OE2 2.96Å; T202-E323 PolarHBondContact OG1-OE1 3.48Å; T202-F351 HydrophobicContact CG2-CB 3.61Å; T202-F351 HydrophobicContact CG2-CD1 3.69Å; T202-F351 HydrophobicContact CG2-CG 3.93Å; T202-A354 HydrophobicContact CG2-CB 4.37Å; T202-A354 WeakPolarHBondContact OG1-CB 3.43Å; T202-I355 HydrophobicContact CG2-CD1 4.14Å; T202-I355 HydrophobicContact CG2-CG1 4Å
203I89.3Confident86Confident0 Ų016.3 Ų16.30%08%0.08CC..Hα-helixtrans-60.3-40.9174.2-68.4-164.9000110.7G199 F200 T205 L206 T207 M296 W297 Y300 I355G199-I203 WeakPolarHBondContact O-CG1 3.36Å; G199-I203 PolarHBondContact O-N 2.79Å; F200-I203 PolarHBondContact O-N 3Å; I203-T205 VanDerWaalsContact C-N 3.35Å; I203-L206 PolarHBondContact O-N 3.42Å; I203-T207 WeakPolarHBondContact O-CB 3.45Å; I203-T207 PolarHBondContact O-N 3.32Å; I203-T207 PolarHBondContact O-OG1 3.17Å; I203-M296 HydrophobicContact CD1-CB 3.61Å; I203-W297 HydrophobicContact CG2-CD2 4.03Å; I203-W297 VanDerWaalsContact CG2-CE2 3.48Å; I203-W297 HydrophobicContact CG2-CG 4.41Å; I203-W297 HydrophobicContact CG2-CH2 4.33Å; I203-W297 HydrophobicContact CG2-CZ2 3.67Å; I203-Y300 HydrophobicContact CD1-CD2 3.19Å; I203-Y300 HydrophobicContact CD1-CE2 3.21Å; I203-Y300 HydrophobicContact CD1-CG 4.01Å; I203-Y300 HydrophobicContact CG1-CD2 4.34Å; I203-Y300 HydrophobicContact CG1-CE2 4.11Å; I203-I355 HydrophobicContact CD1-CG1 4.38Å; I203-I355 HydrophobicContact CD1-CG2 4.07Å; I203-I355 HydrophobicContact CG1-CD1 3.8Å; I203-I355 HydrophobicContact CG1-CG1 3.64Å; I203-I355 HydrophobicContact CG1-CG2 4.26Å
204L86.2Confident86.1Confident13 Ų1314.4 Ų14.47%0.0687%0.074CC..Hα-helixtrans-62-44177.9-168.670.3000110.9W19 L22 F200 G201 T202 Y208 W297 Y320W19-L204 HydrophobicContact CH2-CD1 3.87Å; W19-L204 HydrophobicContact CZ3-CD1 3.71Å; L22-L204 HydrophobicContact CD2-CD1 4.04Å; F200-L204 WeakPolarHBondContact O-CB 3.03Å; F200-L204 PolarHBondContact O-N 2.97Å; G201-L204 WeakPolarHBondContact O-CB 2.94Å; G201-L204 PolarHBondContact O-N 3.43Å; T202-L204 VanDerWaalsContact C-N 3.26Å; T202-L204 PolarHBondContact O-N 3.35Å; L204-Y208 WeakPolarHBondContact O-CB 3.33Å; L204-Y208 PolarHBondContact O-N 3.28Å; L204-W297 HydrophobicContact CD1-CH2 3.93Å; L204-Y320 HydrophobicContact CB-CD2 4.34Å; L204-Y320 HydrophobicContact CD2-CD2 4.1Å; L204-Y320 HydrophobicContact CD2-CG 3.99Å; L204-Y320 HydrophobicContact CG-CD2 4.02Å; L204-Y320 HydrophobicContact CG-CE2 4.43Å; L204-Y320 HydrophobicContact CG-CG 4.42Å
205T84.2Confident86Confident0 Ų010.1 Ų10.10%05%0.054CC..Hα-helixtrans-59.1-54.8175.3-47.20000111.4G201 T202 I203 T207 Y208 T209 Y320 E323 L324 I327G201-T205 PolarHBondContact O-N 2.86Å; G201-T205 PolarHBondContact O-OG1 3.49Å; T202-T205 PolarHBondContact O-N 3.3Å; I203-T205 VanDerWaalsContact C-N 3.35Å; T205-T207 PolarHBondContact O-N 3.24Å; T205-Y208 WeakPolarHBondContact O-CB 3.26Å; T205-Y208 PolarHBondContact O-N 2.97Å; T205-T209 WeakPolarHBondContact O-CB 3.33Å; T205-T209 PolarHBondContact O-N 3.12Å; T205-T209 PolarHBondContact O-OG1 3.34Å; T205-Y320 WeakPolarHBondContact OG1-CA 3.4Å; T205-E323 VanDerWaalsContact CB-OE2 3.25Å; T205-E323 WeakPolarHBondContact CB-OE2 2.83Å; T205-E323 HydrophobicContact CG2-CB 3.75Å; T205-E323 PolarHBondContact OG1-OE2 3.35Å; T205-L324 HydrophobicContact CG2-CB 4.3Å; T205-I327 HydrophobicContact CG2-CD1 3.63Å
206L86.5Confident85.7Confident1 Ų15.7 Ų5.71%0.0053%0.032CC..Hα-helixtrans-66.1-39.2-176.3-66-179.5000112.2T202 I203 Y208 F210 L293 F351 I355T202-L206 HydrophobicContact CG2-CD1 4.32Å; T202-L206 HydrophobicContact CG2-CG 4.47Å; T202-L206 WeakPolarHBondContact O-CG 3.43Å; T202-L206 PolarHBondContact O-N 3.02Å; I203-L206 PolarHBondContact O-N 3.42Å; L206-Y208 VanDerWaalsContact C-N 3.32Å; L206-F210 HydrophobicContact CD2-CD2 4.05Å; L206-F210 HydrophobicContact CD2-CE2 3.63Å; L206-F210 PolarHBondContact O-N 3.23Å; L206-L293 HydrophobicContact CB-CD1 3.69Å; L206-L293 HydrophobicContact CB-CD2 4.36Å; L206-L293 HydrophobicContact CD1-CD1 4.34Å; L206-L293 HydrophobicContact CD1-CD2 3.89Å; L206-F351 HydrophobicContact CD1-CB 4.13Å; L206-F351 HydrophobicContact CD2-CD2 3.79Å; L206-F351 HydrophobicContact CD2-CE2 4.13Å; L206-F351 HydrophobicContact CD2-CG 4.34Å; L206-I355 HydrophobicContact CD1-CD1 3.85Å
207T87.1Confident85.5Confident2 Ų25.7 Ų5.71%0.0123%0.032CC..Hα-helixtrans-63-42.1174.9-56.60000110.1L136 I203 T205 F211 G212 F245 W297L136-T207 HydrophobicContact CD2-CG2 4.12Å; I203-T207 WeakPolarHBondContact O-CB 3.45Å; I203-T207 PolarHBondContact O-N 3.32Å; I203-T207 PolarHBondContact O-OG1 3.17Å; T205-T207 PolarHBondContact O-N 3.24Å; T207-F211 CarbonylContact O-C 3.56Å; T207-F211 WeakPolarHBondContact O-CA 3.27Å; T207-F211 WeakPolarHBondContact O-CB 3.5Å; T207-F211 PolarHBondContact O-N 3.3Å; T207-G212 PolarHBondContact O-N 2.82Å; T207-F245 HydrophobicContact CG2-CE2 4.49Å; T207-W297 HydrophobicContact CG2-CZ2 3.95Å; T207-W297 WeakPolarHBondContact OG1-CZ2 3.34Å; T207-W297 PolarHBondContact OG1-NE1 2.68Å
208Y83Confident85.5Confident3 Ų35.7 Ų5.71%0.0123%0.032CC..Hα-helixtrans-64.3-56.1176.6178.6-92.8000112.4F23 T26 L204 T205 L206 F210 G212 Y320 L324 Y471F23-Y208 HydrophobicContact CB-CE2 4.26Å; F23-Y208 AromaticContact CD1-CD2 3.34Å; F23-Y208 HydrophobicContact CD1-CD2 3.34Å; F23-Y208 AromaticContact CD1-CE2 3.57Å; F23-Y208 HydrophobicContact CD1-CE2 3.57Å; F23-Y208 AromaticContact CE1-CD2 3.54Å; F23-Y208 HydrophobicContact CE1-CD2 3.54Å; F23-Y208 HydrophobicContact CE1-CE2 4.21Å; F23-Y208 HydrophobicContact CG-CD2 4.31Å; F23-Y208 HydrophobicContact CG-CE2 4.15Å; T26-Y208 WeakPolarHBondContact CB-OH 3.25Å; T26-Y208 HydrophobicContact CG2-CD1 4.33Å; T26-Y208 HydrophobicContact CG2-CE1 3.37Å; T26-Y208 HydrophobicContact CG2-CE2 4.09Å; T26-Y208 WeakPolarHBondContact CG2-OH 3.36Å; L204-Y208 WeakPolarHBondContact O-CB 3.33Å; L204-Y208 PolarHBondContact O-N 3.28Å; T205-Y208 WeakPolarHBondContact O-CB 3.26Å; T205-Y208 PolarHBondContact O-N 2.97Å; L206-Y208 VanDerWaalsContact C-N 3.32Å; Y208-F210 PolarHBondContact O-N 3.34Å; Y208-G212 VanDerWaalsContact O-CA 3.3Å; Y208-G212 WeakPolarHBondContact O-CA 3.42Å; Y208-G212 PolarHBondContact O-N 2.56Å; Y208-G212 VanDerWaalsContact O-N 3.1Å; Y208-Y320 HydrophobicContact CD1-CE2 4.3Å; Y208-Y320 WeakPolarHBondContact CD2-OH 3.29Å; Y208-Y320 AromaticContact CG-CE2 3.96Å; Y208-Y320 HydrophobicContact CG-CE2 3.96Å; Y208-Y320 VanDerWaalsContact CG-OH 3.32Å; Y208-L324 HydrophobicContact CD1-CD1 3.92Å; Y208-L324 HydrophobicContact CE1-CD1 4.08Å; Y208-Y471 PolarHBondContact OH-O 2.76Å
209T78.3Confident85Confident6 Ų63 Ų34%0.0372%0.016CC..Hα-helixtrans-65.7-42.2-170.5-58.30000112T205 I327T205-T209 WeakPolarHBondContact O-CB 3.33Å; T205-T209 PolarHBondContact O-N 3.12Å; T205-T209 PolarHBondContact O-OG1 3.34Å; T209-I327 HydrophobicContact CG2-CD1 4.44Å; T209-I327 HydrophobicContact CG2-CG2 3.9Å
210F81.3Confident84.4Confident6 Ų63.3 Ų3.33%0.0262%0.017CC..Hα-helixtrans-103.7-33.5-174.2-57.5-43.2000113.3L206 Y208 P217 W220 L271 M274 L275 L289L206-F210 HydrophobicContact CD2-CD2 4.05Å; L206-F210 HydrophobicContact CD2-CE2 3.63Å; L206-F210 PolarHBondContact O-N 3.23Å; Y208-F210 PolarHBondContact O-N 3.34Å; F210-P217 WeakPolarHBondContact O-CD 2.89Å; F210-P217 WeakPolarHBondContact O-CG 3.2Å; F210-W220 HydrophobicContact CD1-CE3 4.33Å; F210-W220 HydrophobicContact CD1-CH2 4.17Å; F210-W220 HydrophobicContact CD1-CZ3 4.02Å; F210-W220 AromaticContact CE1-CE3 3.97Å; F210-W220 HydrophobicContact CE1-CE3 3.97Å; F210-W220 AromaticContact CE1-CH2 3.28Å; F210-W220 HydrophobicContact CE1-CH2 3.28Å; F210-W220 AromaticContact CE1-CZ2 3.95Å; F210-W220 HydrophobicContact CE1-CZ2 3.95Å; F210-W220 AromaticContact CE1-CZ3 3.24Å; F210-W220 HydrophobicContact CE1-CZ3 3.24Å; F210-W220 HydrophobicContact CZ-CH2 4.06Å; F210-W220 AromaticContact CZ-CZ3 3.91Å; F210-W220 HydrophobicContact CZ-CZ3 3.91Å; F210-L271 HydrophobicContact CE2-CD1 3.81Å; F210-M274 HydrophobicContact CB-CE 4.24Å; F210-M274 HydrophobicContact CD1-CE 3.28Å; F210-M274 HydrophobicContact CD2-CE 3.83Å; F210-M274 HydrophobicContact CE1-CE 3.47Å; F210-M274 VanDerWaalsContact CE1-CE 3.47Å; F210-M274 HydrophobicContact CE2-CE 3.92Å; F210-M274 HydrophobicContact CG-CE 3.5Å; F210-M274 HydrophobicContact CZ-CE 3.77Å; F210-L275 HydrophobicContact CZ-CD2 4.21Å; F210-L289 HydrophobicContact CD2-CD2 3.96Å; F210-L289 HydrophobicContact CE2-CD2 4.47Å
211F86.3Confident83.9Confident7 Ų73.1 Ų3.13%0.0312%0.016CC..Hα-helixtrans-119.312.2-173-54.6-72.4000112.9Q140 T207 D213 P217 V241 F245 L289 A290 L293Q140-F211 PolarHBondContact NE2-O 2.94Å; T207-F211 CarbonylContact O-C 3.56Å; T207-F211 WeakPolarHBondContact O-CA 3.27Å; T207-F211 WeakPolarHBondContact O-CB 3.5Å; T207-F211 PolarHBondContact O-N 3.3Å; F211-D213 PolarHBondContact O-N 2.86Å; F211-P217 HydrophobicContact CD1-CG 4Å; F211-P217 HydrophobicContact CE1-CG 3.74Å; F211-V241 HydrophobicContact CD1-CG1 3.87Å; F211-V241 HydrophobicContact CE1-CG1 3.78Å; F211-F245 HydrophobicContact CB-CD2 4.37Å; F211-F245 HydrophobicContact CB-CE2 4.27Å; F211-F245 HydrophobicContact CG-CD2 4.43Å; F211-L289 HydrophobicContact CE2-CB 4.46Å; F211-L289 HydrophobicContact CE2-CD2 3.88Å; F211-L289 HydrophobicContact CE2-CG 3.84Å; F211-L289 HydrophobicContact CZ-CB 4.12Å; F211-L289 HydrophobicContact CZ-CD2 4.06Å; F211-L289 HydrophobicContact CZ-CG 3.99Å; F211-A290 HydrophobicContact CD1-CB 4.01Å; F211-A290 HydrophobicContact CE1-CB 3.4Å; F211-A290 HydrophobicContact CZ-CB 3.73Å; F211-L293 HydrophobicContact CD2-CD1 3.83Å; F211-L293 HydrophobicContact CE2-CD1 3.59Å
212G82Confident83.3Confident1 Ų13.8 Ų3.81%0.012%0.02CC..SBendtrans-64.9-27.1171.800000111.3Q140 R143 T207 Y208Q140-G212 PolarHBondContact NE2-O 2.92Å; Q140-G212 PolarHBondContact OE1-O 3.08Å; R143-G212 VanDerWaalsContact CD-O 3.29Å; R143-G212 WeakPolarHBondContact CD-O 3.19Å; R143-G212 PolarHBondContact NE-O 2.93Å; R143-G212 VanDerWaalsContact NE-O 3.12Å; T207-G212 PolarHBondContact O-N 2.82Å; Y208-G212 VanDerWaalsContact O-CA 3.3Å; Y208-G212 WeakPolarHBondContact O-CA 3.42Å; Y208-G212 PolarHBondContact O-N 2.56Å; Y208-G212 VanDerWaalsContact O-N 3.1Å
213D83.7Confident82.1Confident3 Ų36.1 Ų6.12%0.0163%0.032CC..SBendtrans-142.8125.8168.1167.618.5000109.5S148 F211 S215 M216S148-D213 WeakPolarHBondContact CB-OD2 3.1Å; S148-D213 PolarHBondContact OG-OD2 3.21Å; F211-D213 PolarHBondContact O-N 2.86Å; D213-S215 PolarHBondContact O-N 2.65Å; D213-S215 VanDerWaalsContact O-N 3.08Å; D213-S215 PolarHBondContact OD1-N 3.22Å; D213-S215 PolarHBondContact OD1-OG 3.36Å; D213-S215 PolarHBondContact OD2-OG 3.29Å; D213-M216 HydrophobicContact CB-CG 4.09Å; D213-M216 WeakPolarHBondContact O-CB 3.5Å; D213-M216 PolarHBondContact O-N 2.78Å
214P86.7Confident80.5Confident5 Ų57.6 Ų7.63%0.0324%0.044CC..THydrogen-bonded Turntrans-65.5-10.5-178.828.1-38.3000113.7I144 M216 S238 F242I144-P214 HydrophobicContact CD1-CG 3.87Å; I144-P214 HydrophobicContact CG1-CG 3.49Å; I144-P214 VanDerWaalsContact CG1-CG 3.49Å; P214-M216 VanDerWaalsContact C-N 3.32Å; P214-S238 VanDerWaalsContact C-OG 3.3Å; P214-S238 PolarHBondContact O-OG 3.26Å; P214-S238 VanDerWaalsContact O-OG 3.11Å; P214-F242 HydrophobicContact CB-CB 4.5Å
215S85.5Confident78.7Confident4 Ų48.7 Ų8.73%0.0286%0.059CC..Hα-helixtrans-72.8-24.6169.784.20000112.7D213 T218 R219 S238D213-S215 PolarHBondContact O-N 2.65Å; D213-S215 VanDerWaalsContact O-N 3.08Å; D213-S215 PolarHBondContact OD1-N 3.22Å; D213-S215 PolarHBondContact OD1-OG 3.36Å; D213-S215 PolarHBondContact OD2-OG 3.29Å; S215-T218 PolarHBondContact O-N 2.87Å; S215-T218 PolarHBondContact O-OG1 2.66Å; S215-R219 PolarHBondContact O-N 3.45Å; S215-S238 WeakPolarHBondContact CA-OG 3.37Å; S215-S238 PolarHBondContact N-OG 3.01Å
216M81.1Confident77.4Confident5 Ų511.5 Ų11.53%0.0257%0.072CC..Hα-helixtrans-61.6-51.1-173.7-69-59.999.300114D213 P214 T218 R219 W220 N469D213-M216 HydrophobicContact CB-CG 4.09Å; D213-M216 WeakPolarHBondContact O-CB 3.5Å; D213-M216 PolarHBondContact O-N 2.78Å; P214-M216 VanDerWaalsContact C-N 3.32Å; M216-T218 PolarHBondContact O-N 2.84Å; M216-R219 PolarHBondContact O-N 2.99Å; M216-W220 PolarHBondContact O-N 3.39Å; M216-N469 HydrophobicContact CE-CB 3.67Å; M216-N469 WeakPolarHBondContact CE-ND2 3.41Å; M216-N469 HydrophobicContact SD-CB 3.54Å; M216-N469 VanDerWaalsContact SD-CB 3.54Å
217P83.1Confident75.8Confident0 Ų014.6 Ų14.60%09%0.087CC..Hα-helixtrans-67.2-30-179.3-1934.7000111.7F210 F211 W220 S221 V241 A286F210-P217 WeakPolarHBondContact O-CD 2.89Å; F210-P217 WeakPolarHBondContact O-CG 3.2Å; F211-P217 HydrophobicContact CD1-CG 4Å; F211-P217 HydrophobicContact CE1-CG 3.74Å; P217-W220 PolarHBondContact O-N 2.95Å; P217-S221 WeakPolarHBondContact O-CB 3.25Å; P217-S221 PolarHBondContact O-N 3.17Å; P217-S221 PolarHBondContact O-OG 2.83Å; P217-V241 HydrophobicContact CB-CG2 4.47Å; P217-V241 HydrophobicContact CG-CG1 4.08Å; P217-A286 HydrophobicContact CB-CB 3.49Å; P217-A286 VanDerWaalsContact CB-CB 3.49Å
218T85.5Confident74Confident0 Ų019.4 Ų19.40%012%0.118CC..Hα-helixtrans-66.3-47.2175.8720000111S215 M216 W220 S221 L222 M232 P234 V241 F283S215-T218 PolarHBondContact O-N 2.87Å; S215-T218 PolarHBondContact O-OG1 2.66Å; M216-T218 PolarHBondContact O-N 2.84Å; T218-W220 VanDerWaalsContact C-N 3.32Å; T218-W220 PolarHBondContact O-N 2.85Å; T218-S221 PolarHBondContact O-N 3.03Å; T218-S221 PolarHBondContact O-OG 3.36Å; T218-L222 WeakPolarHBondContact O-CG 3.34Å; T218-L222 PolarHBondContact O-N 3Å; T218-M232 WeakPolarHBondContact CB-O 3.33Å; T218-P234 VanDerWaalsContact OG1-CA 3.28Å; T218-P234 WeakPolarHBondContact OG1-CA 3.46Å; T218-P234 WeakPolarHBondContact OG1-CD 3.3Å; T218-P234 WeakPolarHBondContact OG1-CG 3.43Å; T218-V241 HydrophobicContact CG2-CG2 3.85Å; T218-F283 HydrophobicContact CG2-CD2 4.46Å; T218-F283 HydrophobicContact CG2-CE2 3.9Å
219R80.2Confident73Confident2 Ų224.4 Ų24.41%0.00814%0.138CC..Hα-helixtrans-60.9-41.7173.7-71.2-160.982.8-176.8-12.8111.8S215 M216 S221 L222 P234 T467 D475 Y490 T493S215-R219 PolarHBondContact O-N 3.45Å; M216-R219 PolarHBondContact O-N 2.99Å; R219-S221 VanDerWaalsContact C-N 3.26Å; R219-S221 PolarHBondContact O-N 3.33Å; R219-L222 PolarHBondContact O-N 3.12Å; R219-P234 HydrophobicContact CG-CG 3.74Å; R219-T467 PolarHBondContact NH1-O 3.39Å; R219-D475 WeakPolarHBondContact CD-OD1 3.35Å; R219-D475 VanDerWaalsContact CD-OD2 3.3Å; R219-D475 WeakPolarHBondContact CD-OD2 3.39Å; R219-D475 IonicContact CZ-OD1 2.84Å; R219-D475 IonicContact NE-OD1 3.51Å; R219-D475 PolarHBondContact NE-OD1 3.04Å; R219-D475 IonicContact NH1-OD1 3.38Å; R219-D475 PolarHBondContact NH1-OD1 3.33Å; R219-Y490 PolarHBondContact NH2-O 3.13Å; R219-T493 WeakPolarHBondContact O-CG2 3.22Å
220W76.6Confident72.5Confident7 Ų730.2 Ų30.23%0.02716%0.159CC..Hα-helixtrans-62.1-34.2177.9-85.237.5000113.3F210 M216 P217 T218 M274 L275 L331F210-W220 HydrophobicContact CD1-CE3 4.33Å; F210-W220 HydrophobicContact CD1-CH2 4.17Å; F210-W220 HydrophobicContact CD1-CZ3 4.02Å; F210-W220 AromaticContact CE1-CE3 3.97Å; F210-W220 HydrophobicContact CE1-CE3 3.97Å; F210-W220 AromaticContact CE1-CH2 3.28Å; F210-W220 HydrophobicContact CE1-CH2 3.28Å; F210-W220 AromaticContact CE1-CZ2 3.95Å; F210-W220 HydrophobicContact CE1-CZ2 3.95Å; F210-W220 AromaticContact CE1-CZ3 3.24Å; F210-W220 HydrophobicContact CE1-CZ3 3.24Å; F210-W220 HydrophobicContact CZ-CH2 4.06Å; F210-W220 AromaticContact CZ-CZ3 3.91Å; F210-W220 HydrophobicContact CZ-CZ3 3.91Å; M216-W220 PolarHBondContact O-N 3.39Å; P217-W220 PolarHBondContact O-N 2.95Å; T218-W220 VanDerWaalsContact C-N 3.32Å; T218-W220 PolarHBondContact O-N 2.85Å; W220-M274 HydrophobicContact CD2-CE 4.49Å; W220-M274 HydrophobicContact CE3-CE 3.52Å; W220-M274 HydrophobicContact CZ3-CE 3.76Å; W220-L275 HydrophobicContact CE3-CD2 4.43Å; W220-L275 HydrophobicContact CH2-CD2 4.45Å; W220-L275 HydrophobicContact CZ3-CD2 3.59Å; W220-L331 HydrophobicContact CH2-CD1 3.96Å; W220-L331 HydrophobicContact CH2-CD2 3.55Å; W220-L331 HydrophobicContact CH2-CG 4.32Å; W220-L331 HydrophobicContact CZ2-CD1 3.76Å; W220-L331 HydrophobicContact CZ2-CD2 3.75Å; W220-L331 HydrophobicContact CZ2-CG 4.42Å
221S78.2Confident72.4Confident0 Ų034.9 Ų34.90%018%0.18CC..Hα-helixtrans-74.5-23.7178.472.20000113.6P217 T218 R219 L223 G279P217-S221 WeakPolarHBondContact O-CB 3.25Å; P217-S221 PolarHBondContact O-N 3.17Å; P217-S221 PolarHBondContact O-OG 2.83Å; T218-S221 PolarHBondContact O-N 3.03Å; T218-S221 PolarHBondContact O-OG 3.36Å; R219-S221 VanDerWaalsContact C-N 3.26Å; R219-S221 PolarHBondContact O-N 3.33Å; S221-L223 PolarHBondContact O-N 3.24Å; S221-G279 WeakPolarHBondContact O-CA 3.5Å; S221-G279 PolarHBondContact O-N 3.26Å
222L74.7Confident72.2Confident14 Ų1435 Ų357%0.07318%0.18CC..  trans-80.4117.4-175.1-69.4164.7000111.2T218 R219 M232 A233 Y490 T493T218-L222 WeakPolarHBondContact O-CG 3.34Å; T218-L222 PolarHBondContact O-N 3Å; R219-L222 PolarHBondContact O-N 3.12Å; L222-M232 HydrophobicContact CD2-CB 4.27Å; L222-A233 HydrophobicContact CD1-CB 4.18Å; L222-Y490 HydrophobicContact CD1-CD2 3.86Å; L222-Y490 HydrophobicContact CD1-CE2 4.27Å; L222-Y490 HydrophobicContact CD1-CG 4.26Å; L222-T493 WeakPolarHBondContact O-CG2 3.12Å
223L65.4Low72.2Confident49 Ų4935.4 Ų35.426%0.25718%0.184SC..  trans-85.3144162-92.2161.2000110.3S221 G225 M226 S278 H496S221-L223 PolarHBondContact O-N 3.24Å; L223-G225 PolarHBondContact O-N 3.45Å; L223-M226 HydrophobicContact CB-CE 3.85Å; L223-M226 HydrophobicContact CB-CG 3.98Å; L223-M226 HydrophobicContact CB-SD 3.93Å; L223-M226 HydrophobicContact CD1-CE 3.73Å; L223-M226 HydrophobicContact CG-CE 4.43Å; L223-M226 VanDerWaalsContact O-CB 3.29Å; L223-M226 WeakPolarHBondContact O-CB 3.33Å; L223-M226 PolarHBondContact O-N 2.91Å; L223-S278 WeakPolarHBondContact CD1-OG 3.41Å; L223-H496 VanDerWaalsContact CD2-NE2 3.33Å; L223-H496 WeakPolarHBondContact CD2-NE2 3.3Å
224A55.1Low72.3Confident31 Ų3135.3 Ų35.326%0.25618%0.183SC..THydrogen-bonded Turntrans-26.5123.3153.400000113.6M226 Y514A224-M226 VanDerWaalsContact C-N 3.3Å; A224-M226 PolarHBondContact O-N 2.86Å; A224-Y514 HydrophobicContact CB-CD2 3.18Å; A224-Y514 HydrophobicContact CB-CE2 3.98Å; A224-Y514 HydrophobicContact CB-CG 3.82Å
225G49.1Very low72.3Confident37 Ų3735.2 Ų35.238%0.38118%0.183SC..THydrogen-bonded Turntrans80.2-2.3177.500000115.8L223 Q227 S512L223-G225 PolarHBondContact O-N 3.45Å; G225-Q227 PolarHBondContact O-N 3.33Å; G225-S512 WeakPolarHBondContact CA-OG 3.33Å; G225-S512 PolarHBondContact N-OG 3.39Å
226M55.2Low72.6Confident58 Ų5836.1 Ų36.129%0.28619%0.188SC..  trans-78.741.5171.2-65.2-166.4176.800113.1L223 A224 P228 Y229 G279L223-M226 HydrophobicContact CB-CE 3.85Å; L223-M226 HydrophobicContact CB-CG 3.98Å; L223-M226 HydrophobicContact CB-SD 3.93Å; L223-M226 HydrophobicContact CD1-CE 3.73Å; L223-M226 HydrophobicContact CG-CE 4.43Å; L223-M226 VanDerWaalsContact O-CB 3.29Å; L223-M226 WeakPolarHBondContact O-CB 3.33Å; L223-M226 PolarHBondContact O-N 2.91Å; A224-M226 VanDerWaalsContact C-N 3.3Å; A224-M226 PolarHBondContact O-N 2.86Å; M226-P228 VanDerWaalsContact C-N 3.28Å; M226-Y229 HydrophobicContact CB-CD2 4.44Å; M226-Y229 PolarHBondContact O-N 3.14Å; M226-G279 VanDerWaalsContact SD-CA 3.58Å
227Q52.9Low73Confident67 Ų6735.9 Ų35.931%0.31319%0.187SC..G310 helixtrans-51.8-30.2170.2-68.3-68.5-24.300115.1G225 Y229 R230G225-Q227 PolarHBondContact O-N 3.33Å; Q227-Y229 PolarHBondContact O-N 3.13Å; Q227-R230 WeakPolarHBondContact O-CG 3.3Å
228P50Low73.4Confident103 Ų10336 Ų3667%0.66919%0.188SC*.G310 helixtrans-67.7-17.8179.422.7-33.8000114.6M226M226-P228 VanDerWaalsContact C-N 3.28Å
229Y62.3Low73.8Confident108 Ų10837 Ų3742%0.42419%0.193SC..G310 helixtrans-104.347.7-178.2-56.7-69.9000112.4M226 Q227 F231 M232M226-Y229 HydrophobicContact CB-CD2 4.44Å; M226-Y229 PolarHBondContact O-N 3.14Å; Q227-Y229 PolarHBondContact O-N 3.13Å; Y229-F231 AromaticContact CD1-CE1 3.83Å; Y229-F231 HydrophobicContact CD1-CE1 3.83Å; Y229-F231 HydrophobicContact CD1-CZ 4.45Å; Y229-F231 PolarHBondContact O-N 3.41Å; Y229-M232 HydrophobicContact CD1-CE 3.64Å; Y229-M232 HydrophobicContact CE1-CE 4.33Å; Y229-M232 HydrophobicContact CG-CE 3.77Å; Y229-M232 HydrophobicContact CG-SD 4.18Å; Y229-M232 WeakPolarHBondContact O-CB 3.21Å; Y229-M232 PolarHBondContact O-N 2.95Å
230R68.1Low74.5Confident127 Ų12741.6 Ų41.648%0.47921%0.213SC..G310 helixtrans-50.4-29.9177.7-66.4-170177.9-177.30.8113.1Q227 M232 A233Q227-R230 WeakPolarHBondContact O-CG 3.3Å; R230-M232 PolarHBondContact O-N 3.22Å; R230-A233 VanDerWaalsContact O-CB 3.25Å; R230-A233 WeakPolarHBondContact O-CB 3.41Å; R230-A233 PolarHBondContact O-N 3.06Å; R230-A233 VanDerWaalsContact O-N 3.14Å
231F78.3Confident75.2Confident105 Ų10541.3 Ų41.346%0.46121%0.212SC..G310 helixtrans-65.8-22.2178.178.5-97.2000114.2Y229 G237Y229-F231 AromaticContact CD1-CE1 3.83Å; Y229-F231 HydrophobicContact CD1-CE1 3.83Å; Y229-F231 HydrophobicContact CD1-CZ 4.45Å; Y229-F231 PolarHBondContact O-N 3.41Å; F231-G237 WeakPolarHBondContact O-CA 3.17Å; F231-G237 PolarHBondContact O-N 2.95Å
232M82.1Confident76Confident8 Ų841.5 Ų41.54%0.03921%0.213CC..G310 helixtrans-85.3-13.4176.3-60.4178.8-163.500112.6T218 L222 Y229 R230 A280 F283T218-M232 WeakPolarHBondContact CB-O 3.33Å; L222-M232 HydrophobicContact CD2-CB 4.27Å; Y229-M232 HydrophobicContact CD1-CE 3.64Å; Y229-M232 HydrophobicContact CE1-CE 4.33Å; Y229-M232 HydrophobicContact CG-CE 3.77Å; Y229-M232 HydrophobicContact CG-SD 4.18Å; Y229-M232 WeakPolarHBondContact O-CB 3.21Å; Y229-M232 PolarHBondContact O-N 2.95Å; R230-M232 PolarHBondContact O-N 3.22Å; M232-A280 HydrophobicContact CE-CB 3.46Å; M232-A280 VanDerWaalsContact CE-CB 3.46Å; M232-A280 HydrophobicContact SD-CB 4.17Å; M232-F283 HydrophobicContact CB-CD2 4.2Å; M232-F283 HydrophobicContact CB-CE2 4.43Å; M232-F283 HydrophobicContact CG-CD2 4.44Å; M232-F283 HydrophobicContact CG-CG 4.36Å; M232-F283 HydrophobicContact SD-CB 4.43Å
233A83.3Confident77.1Confident10 Ų1042.9 Ų42.98%0.08322%0.222CC..SBendtrans-62.7157.5175.800000110.8L222 R230 N235 G237 Y490L222-A233 HydrophobicContact CD1-CB 4.18Å; R230-A233 VanDerWaalsContact O-CB 3.25Å; R230-A233 WeakPolarHBondContact O-CB 3.41Å; R230-A233 PolarHBondContact O-N 3.06Å; R230-A233 VanDerWaalsContact O-N 3.14Å; A233-N235 CarbonylContact O-C 3.6Å; A233-N235 PolarHBondContact O-N 2.76Å; A233-G237 WeakPolarHBondContact O-CA 3.4Å; A233-G237 PolarHBondContact O-N 3.42Å; A233-Y490 HydrophobicContact CB-CE2 3.88Å
234P85.7Confident78.5Confident2 Ų241 Ų411%0.01321%0.214CC..Hα-helixtrans-40-42177.6-35.235.1000115.4T218 R219 P236 G237 S238 M406 D475 T478 Y490T218-P234 VanDerWaalsContact OG1-CA 3.28Å; T218-P234 WeakPolarHBondContact OG1-CA 3.46Å; T218-P234 WeakPolarHBondContact OG1-CD 3.3Å; T218-P234 WeakPolarHBondContact OG1-CG 3.43Å; R219-P234 HydrophobicContact CG-CG 3.74Å; P234-P236 CarbonylContact O-C 3.57Å; P234-G237 PolarHBondContact O-N 2.91Å; P234-S238 VanDerWaalsContact O-CB 3.29Å; P234-S238 WeakPolarHBondContact O-CB 3.36Å; P234-S238 PolarHBondContact O-N 3.24Å; P234-S238 PolarHBondContact O-OG 3.36Å; P234-M406 WeakPolarHBondContact O-CE 2.98Å; P234-D475 WeakPolarHBondContact CG-OD2 3.4Å; P234-T478 HydrophobicContact CB-CG2 4.25Å; P234-Y490 HydrophobicContact CG-CE1 3.94Å
235N87.1Confident80.4Confident3 Ų340.2 Ų40.22%0.01621%0.205CC..Hα-helixtrans-108.7109.7168.7-177.13000109.3A233 M406 Y410 E482A233-N235 CarbonylContact O-C 3.6Å; A233-N235 PolarHBondContact O-N 2.76Å; N235-M406 HydrophobicContact CB-SD 4.18Å; N235-M406 PolarHBondContact OD1-SD 3.48Å; N235-Y410 WeakPolarHBondContact OD1-CD2 3.36Å; N235-E482 WeakPolarHBondContact CB-OE1 3.36Å; N235-E482 PolarHBondContact ND2-OE1 3.44Å
236P90.3Very high82.6Confident22 Ų2238.6 Ų38.614%0.14319%0.188CC..Hα-helixcis-96.6-3.68.237.2-35.2000115.9P234 S238 I239 M406 Y410P234-P236 CarbonylContact O-C 3.57Å; P236-S238 PolarHBondContact O-N 2.87Å; P236-I239 WeakPolarHBondContact O-CG2 3.29Å; P236-I239 PolarHBondContact O-N 2.98Å; P236-M406 HydrophobicContact CB-CG 4.1Å; P236-M406 HydrophobicContact CB-SD 4.48Å; P236-Y410 HydrophobicContact CB-CD2 4.36Å; P236-Y410 HydrophobicContact CG-CD2 4.35Å; P236-Y410 HydrophobicContact CG-CE2 4.33Å
237G90Very high84.5Confident0 Ų039.9 Ų39.90%020%0.195CC..Hα-helixtrans-43.7-36.4-169.400000116.3F231 A233 P234 I239 F240 V241F231-G237 WeakPolarHBondContact O-CA 3.17Å; F231-G237 PolarHBondContact O-N 2.95Å; A233-G237 WeakPolarHBondContact O-CA 3.4Å; A233-G237 PolarHBondContact O-N 3.42Å; P234-G237 PolarHBondContact O-N 2.91Å; G237-I239 PolarHBondContact O-N 3.33Å; G237-F240 PolarHBondContact O-N 2.94Å; G237-F240 VanDerWaalsContact O-N 3.1Å; G237-V241 PolarHBondContact O-N 3.23Å
238S91.1Very high86.4Confident4 Ų436.7 Ų36.73%0.02818%0.18CC..Hα-helixtrans-59.4-27.8179.8-65.50000113.4P214 S215 P234 P236 F240 F242P214-S238 VanDerWaalsContact C-OG 3.3Å; P214-S238 PolarHBondContact O-OG 3.26Å; P214-S238 VanDerWaalsContact O-OG 3.11Å; S215-S238 WeakPolarHBondContact CA-OG 3.37Å; S215-S238 PolarHBondContact N-OG 3.01Å; P234-S238 VanDerWaalsContact O-CB 3.29Å; P234-S238 WeakPolarHBondContact O-CB 3.36Å; P234-S238 PolarHBondContact O-N 3.24Å; P234-S238 PolarHBondContact O-OG 3.36Å; P236-S238 PolarHBondContact O-N 2.87Å; S238-F240 VanDerWaalsContact C-N 3.34Å; S238-F242 WeakPolarHBondContact O-CB 3.36Å; S238-F242 PolarHBondContact O-N 3.41Å
239I94Very high88.4Confident19 Ų1931.9 Ų31.910%0.09715%0.149CC..Hα-helixtrans-68.2-34.5177.9-16457.5000112.1P236 G237 F242 T243 A402 M406P236-I239 WeakPolarHBondContact O-CG2 3.29Å; P236-I239 PolarHBondContact O-N 2.98Å; G237-I239 PolarHBondContact O-N 3.33Å; I239-F242 HydrophobicContact CD1-CD1 4.21Å; I239-T243 VanDerWaalsContact O-CB 3.27Å; I239-T243 WeakPolarHBondContact O-CB 3.35Å; I239-T243 PolarHBondContact O-N 2.93Å; I239-T243 PolarHBondContact O-OG1 2.87Å; I239-A402 HydrophobicContact CD1-CB 3.61Å; I239-M406 HydrophobicContact CB-CG 4.38Å
240F94.2Very high89.7Confident99 Ų9931.1 Ų31.143%0.43415%0.145SC..Hα-helixtrans-70.8-43.2179-60-67.3000110.9G237 S238 T243 A244 F283G237-F240 PolarHBondContact O-N 2.94Å; G237-F240 VanDerWaalsContact O-N 3.1Å; S238-F240 VanDerWaalsContact C-N 3.34Å; F240-T243 PolarHBondContact O-N 3.25Å; F240-A244 WeakPolarHBondContact O-CB 3.4Å; F240-A244 PolarHBondContact O-N 2.88Å; F240-F283 HydrophobicContact CB-CE1 4.36Å; F240-F283 HydrophobicContact CB-CZ 3.92Å; F240-F283 HydrophobicContact CD2-CZ 4.02Å; F240-F283 HydrophobicContact CG-CZ 4.36Å
241V93.2Very high90.8Very high1 Ų127.8 Ų27.81%0.00614%0.137CC..Hα-helixtrans-60.7-45.7174.5177.40000110.7F211 P217 T218 G237 A244 F245 F283 T287 A290F211-V241 HydrophobicContact CD1-CG1 3.87Å; F211-V241 HydrophobicContact CE1-CG1 3.78Å; P217-V241 HydrophobicContact CB-CG2 4.47Å; P217-V241 HydrophobicContact CG-CG1 4.08Å; T218-V241 HydrophobicContact CG2-CG2 3.85Å; G237-V241 PolarHBondContact O-N 3.23Å; V241-A244 WeakPolarHBondContact O-CB 3.48Å; V241-A244 PolarHBondContact O-N 2.48Å; V241-F245 PolarHBondContact O-N 3.07Å; V241-F283 HydrophobicContact CG2-CE2 4.33Å; V241-T287 HydrophobicContact CG2-CG2 4.37Å; V241-A290 HydrophobicContact CG1-CB 4.46Å
242F95.1Very high91.2Very high4 Ų422.8 Ų22.82%0.01812%0.115CC..Hα-helixtrans-64.2-42.5177.3177.1-108.5000112.6V137 Q140 V141 I144 P214 S238 I239 A244 F245 V246 A398 V399 A402V137-F242 HydrophobicContact CG1-CE2 3.94Å; V137-F242 HydrophobicContact CG1-CZ 3.72Å; Q140-F242 HydrophobicContact CB-CD2 3.83Å; Q140-F242 HydrophobicContact CB-CE2 3.77Å; V141-F242 HydrophobicContact CG2-CE1 4.12Å; V141-F242 HydrophobicContact CG2-CE2 4.31Å; V141-F242 HydrophobicContact CG2-CZ 3.58Å; I144-F242 HydrophobicContact CD1-CB 3.74Å; I144-F242 HydrophobicContact CD1-CD1 4.08Å; I144-F242 HydrophobicContact CD1-CD2 4.28Å; I144-F242 HydrophobicContact CD1-CG 3.77Å; P214-F242 HydrophobicContact CB-CB 4.5Å; S238-F242 WeakPolarHBondContact O-CB 3.36Å; S238-F242 PolarHBondContact O-N 3.41Å; I239-F242 HydrophobicContact CD1-CD1 4.21Å; F242-A244 VanDerWaalsContact C-N 3.33Å; F242-A244 PolarHBondContact O-N 2.97Å; F242-F245 WeakPolarHBondContact O-CB 3.37Å; F242-F245 PolarHBondContact O-N 2.96Å; F242-V246 HydrophobicContact CE1-CG2 4.06Å; F242-V246 HydrophobicContact CE2-CG2 4.13Å; F242-V246 HydrophobicContact CZ-CG2 3.86Å; F242-V246 PolarHBondContact O-N 2.78Å; F242-A398 HydrophobicContact CZ-CB 4.24Å; F242-V399 HydrophobicContact CE1-CG2 4.09Å; F242-A402 HydrophobicContact CD1-CB 3.86Å; F242-A402 HydrophobicContact CE1-CB 3.71Å
243T96Very high91.2Very high44 Ų4424.5 Ų24.527%0.2712%0.121SC..Hα-helixtrans-62.9-41.8176.7-57.70000110.7I239 F240 F245 V246 L247I239-T243 VanDerWaalsContact O-CB 3.27Å; I239-T243 WeakPolarHBondContact O-CB 3.35Å; I239-T243 PolarHBondContact O-N 2.93Å; I239-T243 PolarHBondContact O-OG1 2.87Å; F240-T243 PolarHBondContact O-N 3.25Å; T243-F245 VanDerWaalsContact C-N 3.34Å; T243-F245 PolarHBondContact O-N 3.02Å; T243-V246 PolarHBondContact O-N 3.43Å; T243-L247 HydrophobicContact CG2-CD1 4.19Å; T243-L247 HydrophobicContact CG2-CG 4.43Å; T243-L247 WeakPolarHBondContact O-CB 3.48Å; T243-L247 VanDerWaalsContact O-CG 3.27Å; T243-L247 WeakPolarHBondContact O-CG 3.19Å; T243-L247 PolarHBondContact O-N 2.83Å
244A95.9Very high91.2Very high10 Ų1027 Ų278%0.08314%0.135CC..Hα-helixtrans-60.3-41.4173.600000112.2F240 V241 F242 L247 G248 T287 A290 T291F240-A244 WeakPolarHBondContact O-CB 3.4Å; F240-A244 PolarHBondContact O-N 2.88Å; V241-A244 WeakPolarHBondContact O-CB 3.48Å; V241-A244 PolarHBondContact O-N 2.48Å; F242-A244 VanDerWaalsContact C-N 3.33Å; F242-A244 PolarHBondContact O-N 2.97Å; A244-L247 PolarHBondContact O-N 3.45Å; A244-G248 PolarHBondContact O-N 2.81Å; A244-T287 HydrophobicContact CB-CG2 4.38Å; A244-A290 HydrophobicContact CB-CB 4.22Å; A244-T291 PolarHBondContact O-OG1 3.42Å
245F94.6Very high90.6Very high13 Ų1330.5 Ų30.56%0.05715%0.154CC..Hα-helixtrans-60.3-46.3173.4-166.2-83.3000111.9L136 T207 F211 V241 F242 T243 L247 G248 L249 A290 A294L136-F245 HydrophobicContact CD2-CZ 4.16Å; T207-F245 HydrophobicContact CG2-CE2 4.49Å; F211-F245 HydrophobicContact CB-CD2 4.37Å; F211-F245 HydrophobicContact CB-CE2 4.27Å; F211-F245 HydrophobicContact CG-CD2 4.43Å; V241-F245 PolarHBondContact O-N 3.07Å; F242-F245 WeakPolarHBondContact O-CB 3.37Å; F242-F245 PolarHBondContact O-N 2.96Å; T243-F245 VanDerWaalsContact C-N 3.34Å; T243-F245 PolarHBondContact O-N 3.02Å; F245-L247 PolarHBondContact O-N 3.09Å; F245-G248 PolarHBondContact O-N 3.2Å; F245-L249 HydrophobicContact CD1-CD1 4.32Å; F245-L249 HydrophobicContact CE1-CD1 4.18Å; F245-L249 HydrophobicContact CE1-CG 4.41Å; F245-L249 PolarHBondContact O-N 3.43Å; F245-L249 VanDerWaalsContact O-N 3.1Å; F245-A290 HydrophobicContact CB-CB 4.39Å; F245-A294 HydrophobicContact CB-CB 4.49Å; F245-A294 HydrophobicContact CD1-CB 3.93Å; F245-A294 HydrophobicContact CD2-CB 3.84Å; F245-A294 HydrophobicContact CE1-CB 4.03Å; F245-A294 HydrophobicContact CE2-CB 3.94Å; F245-A294 HydrophobicContact CG-CB 3.82Å; F245-A294 HydrophobicContact CZ-CB 4.04Å; F245-A294 WeakPolarHBondContact O-CB 3.27Å
246V95.2Very high90.1Very high4 Ų438.5 Ų38.52%0.02419%0.191CC..Hα-helixtrans-65-38.9176.9173.40000112V137 F242 T243 G248 L249 R250 W392 L395 V399V137-V246 HydrophobicContact CG1-CG2 4.41Å; F242-V246 HydrophobicContact CE1-CG2 4.06Å; F242-V246 HydrophobicContact CE2-CG2 4.13Å; F242-V246 HydrophobicContact CZ-CG2 3.86Å; F242-V246 PolarHBondContact O-N 2.78Å; T243-V246 PolarHBondContact O-N 3.43Å; V246-G248 VanDerWaalsContact C-N 3.31Å; V246-G248 PolarHBondContact O-N 2.93Å; V246-L249 WeakPolarHBondContact O-CB 3.43Å; V246-L249 PolarHBondContact O-N 3.33Å; V246-R250 PolarHBondContact O-N 2.91Å; V246-W392 HydrophobicContact CG1-CZ3 4.41Å; V246-L395 HydrophobicContact CG1-CB 3.88Å; V246-L395 HydrophobicContact CG1-CD2 4.35Å; V246-L395 HydrophobicContact CG1-CG 4.47Å; V246-V399 HydrophobicContact CB-CG2 4.02Å; V246-V399 HydrophobicContact CG1-CG2 3.85Å; V246-V399 HydrophobicContact CG2-CG2 3.91Å
247L94.1Very high89.6Confident85 Ų8539.6 Ų39.645%0.44520%0.195SC..Hα-helixtrans-62.5-38.7173.3-71.8171.1000111.4T243 A244 F245 L249 R250 L251T243-L247 HydrophobicContact CG2-CD1 4.19Å; T243-L247 HydrophobicContact CG2-CG 4.43Å; T243-L247 WeakPolarHBondContact O-CB 3.48Å; T243-L247 VanDerWaalsContact O-CG 3.27Å; T243-L247 WeakPolarHBondContact O-CG 3.19Å; T243-L247 PolarHBondContact O-N 2.83Å; A244-L247 PolarHBondContact O-N 3.45Å; F245-L247 PolarHBondContact O-N 3.09Å; L247-L249 PolarHBondContact O-N 3.25Å; L247-R250 CarbonylContact O-C 3.54Å; L247-R250 WeakPolarHBondContact O-CB 3.46Å; L247-R250 PolarHBondContact O-N 2.73Å; L247-R250 VanDerWaalsContact O-N 3.12Å; L247-L251 WeakPolarHBondContact O-CG 2.8Å; L247-L251 PolarHBondContact O-N 2.89Å
248G93.2Very high88.9Confident0 Ų039.8 Ų39.80%020%0.196CC..Hα-helixtrans-58.4-46.4172.100000112.6A244 F245 V246 R250 L251 S252 T291 S295A244-G248 PolarHBondContact O-N 2.81Å; F245-G248 PolarHBondContact O-N 3.2Å; V246-G248 VanDerWaalsContact C-N 3.31Å; V246-G248 PolarHBondContact O-N 2.93Å; G248-R250 VanDerWaalsContact C-N 3.26Å; G248-R250 PolarHBondContact O-N 2.87Å; G248-L251 PolarHBondContact O-N 3.12Å; G248-L251 VanDerWaalsContact O-N 3.15Å; G248-S252 PolarHBondContact O-N 3.44Å; G248-S252 VanDerWaalsContact O-N 3.13Å; G248-T291 WeakPolarHBondContact CA-O 3.39Å; G248-S295 WeakPolarHBondContact O-CA 3.33Å; G248-S295 WeakPolarHBondContact O-CB 3.36Å
249L92.4Very high88.1Confident1 Ų142.1 Ų42.11%0.00521%0.206CC..Hα-helixtrans-58.8-37.7173.3-69.3173.8000112T133 V137 F245 V246 L247 S252 A294 P298 L395T133-L249 HydrophobicContact CG2-CD1 3.98Å; T133-L249 HydrophobicContact CG2-CD2 3.72Å; V137-L249 HydrophobicContact CG2-CD1 3.59Å; F245-L249 HydrophobicContact CD1-CD1 4.32Å; F245-L249 HydrophobicContact CE1-CD1 4.18Å; F245-L249 HydrophobicContact CE1-CG 4.41Å; F245-L249 PolarHBondContact O-N 3.43Å; F245-L249 VanDerWaalsContact O-N 3.1Å; V246-L249 WeakPolarHBondContact O-CB 3.43Å; V246-L249 PolarHBondContact O-N 3.33Å; L247-L249 PolarHBondContact O-N 3.25Å; L249-S252 WeakPolarHBondContact O-CB 3.37Å; L249-S252 PolarHBondContact O-N 2.88Å; L249-S252 PolarHBondContact O-OG 3.44Å; L249-A294 HydrophobicContact CD2-CB 4.49Å; L249-A294 WeakPolarHBondContact CD2-O 3.46Å; L249-A294 HydrophobicContact CG-CB 4.21Å; L249-P298 HydrophobicContact CD2-CG 4.35Å; L249-L395 HydrophobicContact CB-CD1 4.26Å; L249-L395 HydrophobicContact CD1-CD2 3.86Å
250R90.7Very high87.7Confident93 Ų9344.1 Ų44.135%0.35122%0.217SC..Hα-helixtrans-68.3-38.1175.6172.859-175.784.7-5.8113V246 L247 G248 S252 W253 W392V246-R250 PolarHBondContact O-N 2.91Å; L247-R250 CarbonylContact O-C 3.54Å; L247-R250 WeakPolarHBondContact O-CB 3.46Å; L247-R250 PolarHBondContact O-N 2.73Å; L247-R250 VanDerWaalsContact O-N 3.12Å; G248-R250 VanDerWaalsContact C-N 3.26Å; G248-R250 PolarHBondContact O-N 2.87Å; R250-S252 PolarHBondContact O-N 2.92Å; R250-W253 HydrophobicContact CG-CZ3 4.46Å; R250-W253 VanDerWaalsContact NE-CE3 3.28Å; R250-W253 VanDerWaalsContact NH1-CE3 3.28Å; R250-W253 PolarHBondContact O-N 3.07Å; R250-W392 HydrophobicContact CB-CE3 4.26Å; R250-W392 HydrophobicContact CB-CH2 4.27Å; R250-W392 HydrophobicContact CB-CZ3 3.66Å; R250-W392 HydrophobicContact CG-CE3 4.28Å; R250-W392 HydrophobicContact CG-CH2 4.1Å; R250-W392 HydrophobicContact CG-CZ3 3.82Å
251L89.8Confident87.2Confident57 Ų5743.4 Ų43.430%0.29822%0.222SC..Hα-helixtrans-69.2-21.7178.6-73.1172.4000112.3L247 G248 W253 V254 L257 W263 T291L247-L251 WeakPolarHBondContact O-CG 2.8Å; L247-L251 PolarHBondContact O-N 2.89Å; G248-L251 PolarHBondContact O-N 3.12Å; G248-L251 VanDerWaalsContact O-N 3.15Å; L251-W253 PolarHBondContact O-N 2.74Å; L251-V254 PolarHBondContact O-N 3.33Å; L251-L257 HydrophobicContact CB-CD2 4.35Å; L251-L257 HydrophobicContact CD2-CD2 4.4Å; L251-W263 HydrophobicContact CD1-CH2 3.86Å; L251-W263 HydrophobicContact CD1-CZ2 4.26Å; L251-T291 HydrophobicContact CD1-CG2 3.64Å
252S86.4Confident87Confident0 Ų049.5 Ų49.50%025%0.254CS..THydrogen-bonded Turntrans-57.5-19.5172.776.80000114G248 L249 R250 V254 S295 P298 H299 F376G248-S252 PolarHBondContact O-N 3.44Å; G248-S252 VanDerWaalsContact O-N 3.13Å; L249-S252 WeakPolarHBondContact O-CB 3.37Å; L249-S252 PolarHBondContact O-N 2.88Å; L249-S252 PolarHBondContact O-OG 3.44Å; R250-S252 PolarHBondContact O-N 2.92Å; S252-V254 PolarHBondContact O-N 3.46Å; S252-S295 WeakPolarHBondContact CB-O 3.39Å; S252-P298 WeakPolarHBondContact OG-CG 3.24Å; S252-H299 PolarHBondContact O-NE2 3.47Å; S252-F376 WeakPolarHBondContact O-CE2 3.49Å; S252-F376 WeakPolarHBondContact O-CZ 2.83Å; S252-F376 WeakPolarHBondContact OG-CZ 3.33Å
253W83Confident86.7Confident44 Ų4450.6 Ų50.617%0.16726%0.258CS..THydrogen-bonded Turntrans-67.4-17.4172.7-74-35.4000113.7R250 L251 N255 F376 K388 I391 W392R250-W253 HydrophobicContact CG-CZ3 4.46Å; R250-W253 VanDerWaalsContact NE-CE3 3.28Å; R250-W253 VanDerWaalsContact NH1-CE3 3.28Å; R250-W253 PolarHBondContact O-N 3.07Å; L251-W253 PolarHBondContact O-N 2.74Å; W253-N255 PolarHBondContact O-N 2.99Å; W253-F376 AromaticContact CD1-CD1 3.25Å; W253-F376 AromaticContact CD1-CE1 3.04Å; W253-F376 AromaticContact CD1-CZ 3.68Å; W253-F376 HydrophobicContact CG-CE1 4.25Å; W253-F376 AromaticContact NE1-CD1 3.32Å; W253-F376 VanDerWaalsContact NE1-CD1 3.32Å; W253-F376 AromaticContact NE1-CE1 3.11Å; W253-K388 HydrophobicContact CZ2-CB 4.25Å; W253-I391 HydrophobicContact CZ2-CB 4.49Å; W253-I391 HydrophobicContact CZ2-CG2 4.23Å; W253-W392 HydrophobicContact CH2-CB 3.81Å; W253-W392 HydrophobicContact CH2-CE3 4.35Å; W253-W392 HydrophobicContact CH2-CG 4.43Å; W253-W392 HydrophobicContact CZ3-CB 4.22Å; W253-W392 HydrophobicContact CZ3-CE3 4.4Å; W253-W392 HydrophobicContact CZ3-CG 4.46Å
254V83.2Confident86.2Confident63 Ų6350.2 Ų50.238%0.38225%0.254SS..  trans-97.180.6-179.6-170.80000109.4L251 S252 Q256 L257L251-V254 PolarHBondContact O-N 3.33Å; S252-V254 PolarHBondContact O-N 3.46Å; V254-Q256 PolarHBondContact O-N 2.94Å; V254-L257 HydrophobicContact CB-CB 4.31Å; V254-L257 HydrophobicContact CG1-CB 4.15Å; V254-L257 WeakPolarHBondContact O-CB 3.21Å; V254-L257 PolarHBondContact O-N 2.94Å
255N72.5Confident85.9Confident75 Ų7552 Ų5240%0.40127%0.269SS..Hα-helixtrans-49.9-34.8-177.5-70.6-19.7000114W253 L257 L258 F259 H299W253-N255 PolarHBondContact O-N 2.99Å; N255-L257 VanDerWaalsContact C-N 3.27Å; N255-L257 PolarHBondContact O-N 3.04Å; N255-L258 PolarHBondContact O-N 3.38Å; N255-F259 VanDerWaalsContact O-CD2 3.3Å; N255-F259 WeakPolarHBondContact O-CD2 3.39Å; N255-H299 PolarHBondContact OD1-CE1 2.82Å; N255-H299 VanDerWaalsContact OD1-CE1 3.27Å
256Q78Confident85.7Confident171 Ų17154.1 Ų54.180%0.79928%0.278SS*.Hα-helixtrans-64.1-31-179.1-67.1178-10.300113.1V254V254-Q256 PolarHBondContact O-N 2.94Å
257L79.1Confident85.4Confident44 Ų4453.9 Ų53.923%0.2328%0.277CS..Hα-helixtrans-68.7-41.8-177.6-174.165000111.1L251 V254 N255 F259 N260 W263L251-L257 HydrophobicContact CB-CD2 4.35Å; L251-L257 HydrophobicContact CD2-CD2 4.4Å; V254-L257 HydrophobicContact CB-CB 4.31Å; V254-L257 HydrophobicContact CG1-CB 4.15Å; V254-L257 WeakPolarHBondContact O-CB 3.21Å; V254-L257 PolarHBondContact O-N 2.94Å; N255-L257 VanDerWaalsContact C-N 3.27Å; N255-L257 PolarHBondContact O-N 3.04Å; L257-F259 PolarHBondContact O-N 3.26Å; L257-N260 VanDerWaalsContact O-CB 3.25Å; L257-N260 WeakPolarHBondContact O-CB 3.42Å; L257-N260 PolarHBondContact O-N 3.33Å; L257-N260 VanDerWaalsContact O-N 3.12Å; L257-W263 HydrophobicContact CD1-CB 4.47Å; L257-W263 HydrophobicContact CD1-CD2 4.01Å; L257-W263 HydrophobicContact CD1-CE3 3.64Å; L257-W263 HydrophobicContact CD1-CG 4.38Å; L257-W263 HydrophobicContact CD1-CZ3 4.19Å; L257-W263 HydrophobicContact CD2-CD2 3.94Å; L257-W263 HydrophobicContact CD2-CE3 3.89Å; L257-W263 HydrophobicContact CD2-CH2 3.91Å; L257-W263 HydrophobicContact CD2-CZ2 3.95Å; L257-W263 HydrophobicContact CD2-CZ3 3.87Å; L257-W263 HydrophobicContact CG-CB 4.44Å; L257-W263 HydrophobicContact CG-CD2 3.66Å; L257-W263 HydrophobicContact CG-CE3 3.76Å; L257-W263 HydrophobicContact CG-CG 3.98Å; L257-W263 HydrophobicContact CG-CZ3 4.27Å; L257-W263 WeakPolarHBondContact O-CB 3.37Å
258L74.8Confident85.2Confident5 Ų550.9 Ų50.93%0.02626%0.264CS..Hα-helixtrans-69.6-32.9-169.8-65.7135000113.6N255 N260 S295 M296 H299N255-L258 PolarHBondContact O-N 3.38Å; L258-N260 VanDerWaalsContact C-N 3.33Å; L258-S295 WeakPolarHBondContact CD2-O 3.32Å; L258-M296 HydrophobicContact CD2-CE 4.05Å; L258-M296 HydrophobicContact CD2-SD 3.54Å; L258-M296 VanDerWaalsContact CD2-SD 3.54Å; L258-H299 WeakPolarHBondContact CD1-CD2 3.46Å; L258-H299 WeakPolarHBondContact CD1-NE2 3.1Å
259F75.3Confident85.1Confident53 Ų5354.4 Ų54.423%0.23229%0.286CS..THydrogen-bonded Turntrans-91.52.3177.5-59.1-71.2000112.8N255 L257N255-F259 VanDerWaalsContact O-CD2 3.3Å; N255-F259 WeakPolarHBondContact O-CD2 3.39Å; L257-F259 PolarHBondContact O-N 3.26Å
260N84.3Confident85Confident60 Ų6054.4 Ų54.432%0.32129%0.285SS..  trans-77.7124.9175-169.8-29.3000109.2L257 L258 L262 W263 L264L257-N260 VanDerWaalsContact O-CB 3.25Å; L257-N260 WeakPolarHBondContact O-CB 3.42Å; L257-N260 PolarHBondContact O-N 3.33Å; L257-N260 VanDerWaalsContact O-N 3.12Å; L258-N260 VanDerWaalsContact C-N 3.33Å; N260-L262 PolarHBondContact O-N 2.86Å; N260-L262 VanDerWaalsContact O-N 3.12Å; N260-L262 VanDerWaalsContact OD1-CB 3.32Å; N260-L262 WeakPolarHBondContact OD1-CB 3.46Å; N260-L262 WeakPolarHBondContact OD1-CG 3.4Å; N260-L262 PolarHBondContact OD1-N 3.4Å; N260-W263 WeakPolarHBondContact O-CB 3.47Å; N260-W263 PolarHBondContact O-N 3.44Å; N260-L264 PolarHBondContact O-N 2.87Å
261P84.7Confident84.9Confident85 Ų8550 Ų5055%0.55227%0.269SS*.Hα-helixtrans-57.1-26175.923.9-35000113.2W263 L264 A265P261-W263 VanDerWaalsContact C-N 3.28Å; P261-W263 PolarHBondContact O-N 3.34Å; P261-L264 WeakPolarHBondContact O-CB 3.4Å; P261-L264 PolarHBondContact O-N 2.84Å; P261-A265 PolarHBondContact O-N 3.46Å
262L88.7Confident84.7Confident128 Ų12850.7 Ų50.767%0.6727%0.27SS*.Hα-helixtrans-65.2-31.6173.8-63176.4000112.6N260 A265 F266N260-L262 PolarHBondContact O-N 2.86Å; N260-L262 VanDerWaalsContact O-N 3.12Å; N260-L262 VanDerWaalsContact OD1-CB 3.32Å; N260-L262 WeakPolarHBondContact OD1-CB 3.46Å; N260-L262 WeakPolarHBondContact OD1-CG 3.4Å; N260-L262 PolarHBondContact OD1-N 3.4Å; L262-A265 PolarHBondContact O-N 2.91Å; L262-F266 WeakPolarHBondContact O-CB 3.1Å; L262-F266 PolarHBondContact O-N 2.72Å
263W89.1Confident84.8Confident27 Ų2752.8 Ų52.810%0.10228%0.281CS..Hα-helixtrans-73.3-33.9176.6-166.8-115.6000111.7L251 L257 N260 P261 F266 G267 T291 Y292 S295 M296L251-W263 HydrophobicContact CD1-CH2 3.86Å; L251-W263 HydrophobicContact CD1-CZ2 4.26Å; L257-W263 HydrophobicContact CD1-CB 4.47Å; L257-W263 HydrophobicContact CD1-CD2 4.01Å; L257-W263 HydrophobicContact CD1-CE3 3.64Å; L257-W263 HydrophobicContact CD1-CG 4.38Å; L257-W263 HydrophobicContact CD1-CZ3 4.19Å; L257-W263 HydrophobicContact CD2-CD2 3.94Å; L257-W263 HydrophobicContact CD2-CE3 3.89Å; L257-W263 HydrophobicContact CD2-CH2 3.91Å; L257-W263 HydrophobicContact CD2-CZ2 3.95Å; L257-W263 HydrophobicContact CD2-CZ3 3.87Å; L257-W263 HydrophobicContact CG-CB 4.44Å; L257-W263 HydrophobicContact CG-CD2 3.66Å; L257-W263 HydrophobicContact CG-CE3 3.76Å; L257-W263 HydrophobicContact CG-CG 3.98Å; L257-W263 HydrophobicContact CG-CZ3 4.27Å; L257-W263 WeakPolarHBondContact O-CB 3.37Å; N260-W263 WeakPolarHBondContact O-CB 3.47Å; N260-W263 PolarHBondContact O-N 3.44Å; P261-W263 VanDerWaalsContact C-N 3.28Å; P261-W263 PolarHBondContact O-N 3.34Å; W263-F266 HydrophobicContact CE3-CB 4.32Å; W263-F266 HydrophobicContact CE3-CD1 4.1Å; W263-F266 HydrophobicContact CE3-CG 4.29Å; W263-F266 HydrophobicContact CH2-CD1 4.06Å; W263-F266 AromaticContact CH2-CE1 4Å; W263-F266 HydrophobicContact CH2-CE1 4Å; W263-F266 HydrophobicContact CZ2-CD1 4.48Å; W263-F266 AromaticContact CZ3-CD1 3.85Å; W263-F266 HydrophobicContact CZ3-CD1 3.85Å; W263-F266 HydrophobicContact CZ3-CE1 4.1Å; W263-F266 HydrophobicContact CZ3-CG 4.24Å; W263-F266 WeakPolarHBondContact O-CB 3.15Å; W263-F266 PolarHBondContact O-N 2.68Å; W263-G267 PolarHBondContact O-N 3.14Å; W263-G267 VanDerWaalsContact O-N 3.08Å; W263-T291 HydrophobicContact CH2-CG2 4.05Å; W263-T291 HydrophobicContact CZ2-CG2 4.26Å; W263-Y292 AromaticContact CD1-CD2 3.75Å; W263-Y292 AromaticContact CD1-CE2 3.91Å; W263-Y292 HydrophobicContact CG-CD2 4.33Å; W263-Y292 AromaticContact NE1-CD2 3.67Å; W263-Y292 VanDerWaalsContact O-CD2 3.25Å; W263-Y292 WeakPolarHBondContact O-CD2 3.44Å; W263-Y292 VanDerWaalsContact O-CE2 3.26Å; W263-Y292 WeakPolarHBondContact O-CE2 3.41Å; W263-S295 PolarHBondContact NE1-OG 3.42Å; W263-M296 VanDerWaalsContact CD1-CE 3.5Å
264L85.4Confident84.8Confident36 Ų3650.7 Ų50.719%0.18827%0.273CS..Hα-helixtrans-61.8-47.4168.1178.165.6000111.1N260 P261 F266 G267 A268 Y292 W356N260-L264 PolarHBondContact O-N 2.87Å; P261-L264 WeakPolarHBondContact O-CB 3.4Å; P261-L264 PolarHBondContact O-N 2.84Å; L264-F266 VanDerWaalsContact C-N 3.26Å; L264-F266 PolarHBondContact O-N 3.32Å; L264-G267 PolarHBondContact O-N 3.28Å; L264-A268 WeakPolarHBondContact O-CB 3.3Å; L264-A268 PolarHBondContact O-N 2.94Å; L264-Y292 VanDerWaalsContact CD1-OH 3.29Å; L264-Y292 WeakPolarHBondContact CD1-OH 3.16Å; L264-W356 HydrophobicContact CD1-CB 3.84Å; L264-W356 HydrophobicContact CD1-CG 4.23Å; L264-W356 HydrophobicContact CD2-CB 3.9Å; L264-W356 HydrophobicContact CD2-CD2 4.16Å; L264-W356 HydrophobicContact CD2-CG 3.69Å; L264-W356 HydrophobicContact CG-CB 4.46Å; L264-W356 HydrophobicContact CG-CG 4.42Å
265A88.5Confident84.6Confident47 Ų4748.7 Ų48.739%0.38826%0.26SS..Hα-helixtrans-58.9-39.6176.300000111.4P261 L262 A268 V269P261-A265 PolarHBondContact O-N 3.46Å; L262-A265 PolarHBondContact O-N 2.91Å; A265-A268 PolarHBondContact O-N 3.24Å; A265-V269 WeakPolarHBondContact O-CB 3.33Å; A265-V269 WeakPolarHBondContact O-CG2 3.37Å; A265-V269 PolarHBondContact O-N 3.37Å
266F91.5Very high84.8Confident58 Ų5847.7 Ų47.725%0.25426%0.256SS..Hα-helixtrans-59.3-47.3174.3178.8-97.6000112.3L262 W263 L264 G270 F288L262-F266 WeakPolarHBondContact O-CB 3.1Å; L262-F266 PolarHBondContact O-N 2.72Å; W263-F266 HydrophobicContact CE3-CB 4.32Å; W263-F266 HydrophobicContact CE3-CD1 4.1Å; W263-F266 HydrophobicContact CE3-CG 4.29Å; W263-F266 HydrophobicContact CH2-CD1 4.06Å; W263-F266 AromaticContact CH2-CE1 4Å; W263-F266 HydrophobicContact CH2-CE1 4Å; W263-F266 HydrophobicContact CZ2-CD1 4.48Å; W263-F266 AromaticContact CZ3-CD1 3.85Å; W263-F266 HydrophobicContact CZ3-CD1 3.85Å; W263-F266 HydrophobicContact CZ3-CE1 4.1Å; W263-F266 HydrophobicContact CZ3-CG 4.24Å; W263-F266 WeakPolarHBondContact O-CB 3.15Å; W263-F266 PolarHBondContact O-N 2.68Å; L264-F266 VanDerWaalsContact C-N 3.26Å; L264-F266 PolarHBondContact O-N 3.32Å; F266-G270 PolarHBondContact O-N 2.95Å; F266-F288 HydrophobicContact CD2-CD2 4.42Å; F266-F288 HydrophobicContact CE1-CB 3.8Å; F266-F288 HydrophobicContact CE1-CG 4.22Å; F266-F288 WeakPolarHBondContact CE1-O 3.33Å; F266-F288 HydrophobicContact CE2-CB 4Å; F266-F288 AromaticContact CE2-CD1 3.82Å; F266-F288 HydrophobicContact CE2-CD1 3.82Å; F266-F288 AromaticContact CE2-CD2 3.7Å; F266-F288 HydrophobicContact CE2-CD2 3.7Å; F266-F288 HydrophobicContact CE2-CE1 4.16Å; F266-F288 HydrophobicContact CE2-CE2 4.06Å; F266-F288 AromaticContact CE2-CG 3.57Å; F266-F288 HydrophobicContact CE2-CG 3.57Å; F266-F288 HydrophobicContact CE2-CZ 4.28Å; F266-F288 HydrophobicContact CZ-CB 3.47Å; F266-F288 VanDerWaalsContact CZ-CB 3.47Å; F266-F288 AromaticContact CZ-CD1 3.47Å; F266-F288 HydrophobicContact CZ-CD1 3.47Å; F266-F288 VanDerWaalsContact CZ-CD1 3.47Å; F266-F288 HydrophobicContact CZ-CD2 4.02Å; F266-F288 HydrophobicContact CZ-CE1 4.18Å; F266-F288 AromaticContact CZ-CG 3.38Å; F266-F288 HydrophobicContact CZ-CG 3.38Å
267G89.7Confident84.9Confident0 Ų041.2 Ų41.20%023%0.228CC..Hα-helixtrans-62-43174.700000113.2W263 L264 G270 L271 Y292W263-G267 PolarHBondContact O-N 3.14Å; W263-G267 VanDerWaalsContact O-N 3.08Å; L264-G267 PolarHBondContact O-N 3.28Å; G267-G270 PolarHBondContact O-N 2.88Å; G267-L271 PolarHBondContact O-N 2.99Å; G267-Y292 VanDerWaalsContact CA-CG 3.41Å
268A89Confident84.9Confident22 Ų2241.2 Ų41.218%0.18223%0.232CC..Hα-helixtrans-65.5-43.4178.500000112.5L264 A265 L271 F272 V348 T352L264-A268 WeakPolarHBondContact O-CB 3.3Å; L264-A268 PolarHBondContact O-N 2.94Å; A265-A268 PolarHBondContact O-N 3.24Å; A268-L271 PolarHBondContact O-N 3.47Å; A268-F272 VanDerWaalsContact O-CB 3.28Å; A268-F272 WeakPolarHBondContact O-CB 3.29Å; A268-F272 PolarHBondContact O-N 3.44Å; A268-V348 HydrophobicContact CB-CG1 4.15Å; A268-T352 HydrophobicContact CB-CG2 3.88Å
269V91.4Very high85.2Confident74 Ų7441.1 Ų41.145%0.44823%0.233SC..Hα-helixtrans-64-42.8174.1170.50000110.2A265 L271 F272 L273A265-V269 WeakPolarHBondContact O-CB 3.33Å; A265-V269 WeakPolarHBondContact O-CG2 3.37Å; A265-V269 PolarHBondContact O-N 3.37Å; V269-L271 PolarHBondContact O-N 3.01Å; V269-F272 PolarHBondContact O-N 2.99Å; V269-L273 HydrophobicContact CG1-CD1 3.78Å; V269-L273 HydrophobicContact CG1-CG 4.09Å; V269-L273 WeakPolarHBondContact O-CB 3.34Å; V269-L273 VanDerWaalsContact O-CG 3.25Å; V269-L273 WeakPolarHBondContact O-CG 3.22Å; V269-L273 PolarHBondContact O-N 3.32Å
270G90.8Very high85.7Confident0 Ų040.5 Ų40.50%024%0.237CC..Hα-helixtrans-57-49.6175.200000112.3F266 G267 M274 G285F266-G270 PolarHBondContact O-N 2.95Å; G267-G270 PolarHBondContact O-N 2.88Å; G270-M274 WeakPolarHBondContact O-CB 3.39Å; G270-M274 PolarHBondContact O-N 3.14Å; G270-G285 CarbonylContact C-O 3.51Å; G270-G285 WeakPolarHBondContact CA-O 3.32Å; G270-G285 CarbonylContact O-C 3.48Å; G270-G285 WeakPolarHBondContact O-CA 3.47Å
271L86.9Confident85.9Confident1 Ų140.9 Ų40.91%0.00524%0.242CC..Hα-helixtrans-62.6-46.2176.2-174.361.2000111.8F210 G267 A268 V269 M274 L275 L289 V348 F351F210-L271 HydrophobicContact CE2-CD1 3.81Å; G267-L271 PolarHBondContact O-N 2.99Å; A268-L271 PolarHBondContact O-N 3.47Å; V269-L271 PolarHBondContact O-N 3.01Å; L271-M274 PolarHBondContact O-N 2.85Å; L271-L275 HydrophobicContact CD1-CD1 3.81Å; L271-L275 HydrophobicContact CD1-CG 4.08Å; L271-L275 HydrophobicContact CG-CD1 3.85Å; L271-L275 HydrophobicContact CG-CG 4.39Å; L271-L275 WeakPolarHBondContact O-CB 3.25Å; L271-L275 VanDerWaalsContact O-CG 3.24Å; L271-L275 WeakPolarHBondContact O-CG 3.44Å; L271-L275 PolarHBondContact O-N 2.61Å; L271-L289 HydrophobicContact CB-CD1 3.98Å; L271-L289 HydrophobicContact CB-CD2 4.35Å; L271-L289 HydrophobicContact CD1-CD1 4.42Å; L271-L289 HydrophobicContact CD1-CD2 3.6Å; L271-V348 HydrophobicContact CB-CG2 4.36Å; L271-V348 HydrophobicContact CD2-CB 4.18Å; L271-V348 HydrophobicContact CD2-CG1 4.34Å; L271-V348 HydrophobicContact CD2-CG2 3.77Å; L271-V348 HydrophobicContact CG-CG2 3.8Å; L271-F351 HydrophobicContact CD2-CD2 4.35Å
272F86.8Confident86Confident72 Ų7236.8 Ų36.832%0.31622%0.215SC..Hα-helixtrans-59.6-48.7178.2174.7-96.5000112.1A268 V269 M274 L275 V276 L345A268-F272 VanDerWaalsContact O-CB 3.28Å; A268-F272 WeakPolarHBondContact O-CB 3.29Å; A268-F272 PolarHBondContact O-N 3.44Å; V269-F272 PolarHBondContact O-N 2.99Å; F272-M274 VanDerWaalsContact C-N 3.32Å; F272-M274 PolarHBondContact O-N 3.44Å; F272-L275 PolarHBondContact O-N 3.31Å; F272-V276 HydrophobicContact CD2-CG2 3.78Å; F272-V276 HydrophobicContact CE1-CB 4.45Å; F272-V276 HydrophobicContact CE2-CB 4.19Å; F272-V276 HydrophobicContact CE2-CG1 4.43Å; F272-V276 HydrophobicContact CE2-CG2 3.57Å; F272-V276 HydrophobicContact CG-CG2 4.42Å; F272-V276 HydrophobicContact CZ-CB 4.15Å; F272-V276 HydrophobicContact CZ-CG1 4.12Å; F272-V276 HydrophobicContact CZ-CG2 4.04Å; F272-V276 WeakPolarHBondContact O-CB 3.28Å; F272-V276 WeakPolarHBondContact O-CG2 3.27Å; F272-V276 PolarHBondContact O-N 2.93Å; F272-L345 HydrophobicContact CD2-CD2 3.76Å; F272-L345 HydrophobicContact CE2-CD2 3.7Å
273L88.2Confident86Confident43 Ų4331.5 Ų31.523%0.22519%0.187CC..Hα-helixtrans-59.8-44.6177.8-72.9176.4000110.9V269 L275 T277V269-L273 HydrophobicContact CG1-CD1 3.78Å; V269-L273 HydrophobicContact CG1-CG 4.09Å; V269-L273 WeakPolarHBondContact O-CB 3.34Å; V269-L273 VanDerWaalsContact O-CG 3.25Å; V269-L273 WeakPolarHBondContact O-CG 3.22Å; V269-L273 PolarHBondContact O-N 3.32Å; L273-L275 VanDerWaalsContact C-N 3.34Å; L273-L275 PolarHBondContact O-N 3.2Å; L273-T277 HydrophobicContact CD2-CG2 3.88Å; L273-T277 WeakPolarHBondContact O-CB 3.48Å; L273-T277 PolarHBondContact O-N 3.46Å; L273-T277 PolarHBondContact O-OG1 2.98Å
274M83.3Confident86.2Confident0 Ų034.5 Ų34.50%020%0.204CC..Hα-helixtrans-60.8-42.7178.4-164.8-175.8102.300112.1F210 W220 G270 L271 F272 S282 A286 L289F210-M274 HydrophobicContact CB-CE 4.24Å; F210-M274 HydrophobicContact CD1-CE 3.28Å; F210-M274 HydrophobicContact CD2-CE 3.83Å; F210-M274 HydrophobicContact CE1-CE 3.47Å; F210-M274 VanDerWaalsContact CE1-CE 3.47Å; F210-M274 HydrophobicContact CE2-CE 3.92Å; F210-M274 HydrophobicContact CG-CE 3.5Å; F210-M274 HydrophobicContact CZ-CE 3.77Å; W220-M274 HydrophobicContact CD2-CE 4.49Å; W220-M274 HydrophobicContact CE3-CE 3.52Å; W220-M274 HydrophobicContact CZ3-CE 3.76Å; G270-M274 WeakPolarHBondContact O-CB 3.39Å; G270-M274 PolarHBondContact O-N 3.14Å; L271-M274 PolarHBondContact O-N 2.85Å; F272-M274 VanDerWaalsContact C-N 3.32Å; F272-M274 PolarHBondContact O-N 3.44Å; M274-S282 PolarHBondContact O-OG 3.24Å; M274-S282 VanDerWaalsContact O-OG 3.05Å; M274-A286 HydrophobicContact CG-CB 4.04Å; M274-A286 HydrophobicContact SD-CB 3.81Å; M274-L289 HydrophobicContact CE-CD2 4.46Å; M274-L289 HydrophobicContact SD-CD2 3.99Å
275L78Confident86.5Confident22 Ų2232.8 Ų32.812%0.11520%0.195CC..Hα-helixtrans-81.5-29.6-175.5-64.9-179.6000114.4F210 W220 L271 F272 L273 T344 V348 R495F210-L275 HydrophobicContact CZ-CD2 4.21Å; W220-L275 HydrophobicContact CE3-CD2 4.43Å; W220-L275 HydrophobicContact CH2-CD2 4.45Å; W220-L275 HydrophobicContact CZ3-CD2 3.59Å; L271-L275 HydrophobicContact CD1-CD1 3.81Å; L271-L275 HydrophobicContact CD1-CG 4.08Å; L271-L275 HydrophobicContact CG-CD1 3.85Å; L271-L275 HydrophobicContact CG-CG 4.39Å; L271-L275 WeakPolarHBondContact O-CB 3.25Å; L271-L275 VanDerWaalsContact O-CG 3.24Å; L271-L275 WeakPolarHBondContact O-CG 3.44Å; L271-L275 PolarHBondContact O-N 2.61Å; F272-L275 PolarHBondContact O-N 3.31Å; L273-L275 VanDerWaalsContact C-N 3.34Å; L273-L275 PolarHBondContact O-N 3.2Å; L275-T344 HydrophobicContact CB-CG2 3.59Å; L275-T344 HydrophobicContact CD1-CG2 3.74Å; L275-T344 HydrophobicContact CG-CG2 4.3Å; L275-V348 HydrophobicContact CD1-CG2 4.12Å; L275-R495 PolarHBondContact O-NE 2.78Å; L275-R495 PolarHBondContact O-NH2 2.93Å
276V77.8Confident86.6Confident53 Ų5330.5 Ų30.532%0.32118%0.177SC..Hα-helixtrans-105.5-37.2-172.4179.10000112.4F272 T344 R495F272-V276 HydrophobicContact CD2-CG2 3.78Å; F272-V276 HydrophobicContact CE1-CB 4.45Å; F272-V276 HydrophobicContact CE2-CB 4.19Å; F272-V276 HydrophobicContact CE2-CG1 4.43Å; F272-V276 HydrophobicContact CE2-CG2 3.57Å; F272-V276 HydrophobicContact CG-CG2 4.42Å; F272-V276 HydrophobicContact CZ-CB 4.15Å; F272-V276 HydrophobicContact CZ-CG1 4.12Å; F272-V276 HydrophobicContact CZ-CG2 4.04Å; F272-V276 WeakPolarHBondContact O-CB 3.28Å; F272-V276 WeakPolarHBondContact O-CG2 3.27Å; F272-V276 PolarHBondContact O-N 2.93Å; V276-T344 HydrophobicContact CG2-CG2 3.91Å; V276-R495 PolarHBondContact O-NH2 2.9Å
277T80.2Confident86.7Confident35 Ų3528.7 Ų28.722%0.21517%0.17CC..  trans-97.4165.3-178.275.10000111.5L273 T281 S282 R495L273-T277 HydrophobicContact CD2-CG2 3.88Å; L273-T277 WeakPolarHBondContact O-CB 3.48Å; L273-T277 PolarHBondContact O-N 3.46Å; L273-T277 PolarHBondContact O-OG1 2.98Å; T277-T281 WeakPolarHBondContact CB-OG1 3.18Å; T277-T281 WeakPolarHBondContact OG1-CB 3.23Å; T277-T281 PolarHBondContact OG1-OG1 3.37Å; T277-T281 VanDerWaalsContact OG1-OG1 3.07Å; T277-S282 WeakPolarHBondContact O-CB 3.15Å; T277-S282 PolarHBondContact O-OG 3.45Å; T277-S282 PolarHBondContact OG1-N 3.27Å; T277-R495 PolarHBondContact O-NH1 3.05Å
278S77.8Confident86.9Confident44 Ų4432 Ų3231%0.30819%0.185SC..  trans-132.3161.1-176.856.40000111.5L223 T281L223-S278 WeakPolarHBondContact CD1-OG 3.41Å; S278-T281 PolarHBondContact O-OG1 3.33Å; S278-T281 VanDerWaalsContact O-OG1 3.05Å
279G80.9Confident87.1Confident4 Ų431.1 Ų31.14%0.04118%0.177CC..THydrogen-bonded Turntrans73.2-141.9-177.300000112.2S221 M226 T281 S282 F283S221-G279 WeakPolarHBondContact O-CA 3.5Å; S221-G279 PolarHBondContact O-N 3.26Å; M226-G279 VanDerWaalsContact SD-CA 3.58Å; G279-T281 VanDerWaalsContact C-N 3.26Å; G279-T281 PolarHBondContact O-N 3.47Å; G279-S282 WeakPolarHBondContact O-CB 3.41Å; G279-S282 PolarHBondContact O-N 3.11Å; G279-S282 VanDerWaalsContact O-N 3.15Å; G279-F283 PolarHBondContact O-N 2.91Å
280A86.8Confident87.2Confident39 Ų3927.6 Ų27.632%0.32216%0.156SC..Hα-helixtrans-54.4-38.5-17600000113.8M232 F283 L284M232-A280 HydrophobicContact CE-CB 3.46Å; M232-A280 VanDerWaalsContact CE-CB 3.46Å; M232-A280 HydrophobicContact SD-CB 4.17Å; A280-F283 WeakPolarHBondContact O-CB 3.46Å; A280-F283 PolarHBondContact O-N 3.18Å; A280-L284 WeakPolarHBondContact O-CB 3.22Å; A280-L284 WeakPolarHBondContact O-CG 3.37Å; A280-L284 PolarHBondContact O-N 2.98Å
281T89.3Confident87.4Confident68 Ų6828.4 Ų28.442%0.41716%0.161SC..Hα-helixtrans-69.3-39.9-178.646.70000112T277 S278 G279 L284 G285T277-T281 WeakPolarHBondContact CB-OG1 3.18Å; T277-T281 WeakPolarHBondContact OG1-CB 3.23Å; T277-T281 PolarHBondContact OG1-OG1 3.37Å; T277-T281 VanDerWaalsContact OG1-OG1 3.07Å; S278-T281 PolarHBondContact O-OG1 3.33Å; S278-T281 VanDerWaalsContact O-OG1 3.05Å; G279-T281 VanDerWaalsContact C-N 3.26Å; G279-T281 PolarHBondContact O-N 3.47Å; T281-L284 PolarHBondContact O-N 3.4Å; T281-G285 PolarHBondContact O-N 3.03Å
282S86.3Confident87.7Confident0 Ų028.4 Ų28.40%016%0.161CC..Hα-helixtrans-64.1-43.2172.7-171.10000111.2M274 T277 G279 L284 G285 A286M274-S282 PolarHBondContact O-OG 3.24Å; M274-S282 VanDerWaalsContact O-OG 3.05Å; T277-S282 WeakPolarHBondContact O-CB 3.15Å; T277-S282 PolarHBondContact O-OG 3.45Å; T277-S282 PolarHBondContact OG1-N 3.27Å; G279-S282 WeakPolarHBondContact O-CB 3.41Å; G279-S282 PolarHBondContact O-N 3.11Å; G279-S282 VanDerWaalsContact O-N 3.15Å; S282-L284 PolarHBondContact O-N 2.89Å; S282-G285 PolarHBondContact O-N 3.44Å; S282-A286 PolarHBondContact O-N 2.7Å
283F89.4Confident87.9Confident16 Ų1625 Ų257%0.0715%0.146CC..Hα-helixtrans-61.6-42.1176.6-176.3-93000112.1T218 M232 F240 V241 G279 A280 A286 T287T218-F283 HydrophobicContact CG2-CD2 4.46Å; T218-F283 HydrophobicContact CG2-CE2 3.9Å; M232-F283 HydrophobicContact CB-CD2 4.2Å; M232-F283 HydrophobicContact CB-CE2 4.43Å; M232-F283 HydrophobicContact CG-CD2 4.44Å; M232-F283 HydrophobicContact CG-CG 4.36Å; M232-F283 HydrophobicContact SD-CB 4.43Å; F240-F283 HydrophobicContact CB-CE1 4.36Å; F240-F283 HydrophobicContact CB-CZ 3.92Å; F240-F283 HydrophobicContact CD2-CZ 4.02Å; F240-F283 HydrophobicContact CG-CZ 4.36Å; V241-F283 HydrophobicContact CG2-CE2 4.33Å; G279-F283 PolarHBondContact O-N 2.91Å; A280-F283 WeakPolarHBondContact O-CB 3.46Å; A280-F283 PolarHBondContact O-N 3.18Å; F283-A286 WeakPolarHBondContact O-CB 3.35Å; F283-A286 PolarHBondContact O-N 2.85Å; F283-T287 HydrophobicContact CE1-CG2 4.23Å; F283-T287 WeakPolarHBondContact O-CG2 3.48Å; F283-T287 PolarHBondContact O-N 3.3Å; F283-T287 VanDerWaalsContact O-N 3.11Å
284L92.6Very high88.1Confident90 Ų9023 Ų2347%0.47114%0.135SC..Hα-helixtrans-64-44.2172.5-75169.5000111.5A280 T281 S282 A286 T287 F288A280-L284 WeakPolarHBondContact O-CB 3.22Å; A280-L284 WeakPolarHBondContact O-CG 3.37Å; A280-L284 PolarHBondContact O-N 2.98Å; T281-L284 PolarHBondContact O-N 3.4Å; S282-L284 PolarHBondContact O-N 2.89Å; L284-A286 VanDerWaalsContact C-N 3.28Å; L284-A286 PolarHBondContact O-N 3.13Å; L284-T287 PolarHBondContact O-N 3.47Å; L284-T287 VanDerWaalsContact O-N 3.15Å; L284-T287 PolarHBondContact O-OG1 3.22Å; L284-F288 WeakPolarHBondContact O-CG 3.49Å; L284-F288 PolarHBondContact O-N 3.28Å
285G91.7Very high88.4Confident0 Ų023 Ų230%014%0.135CC..Hα-helixtrans-55.5-43173.800000112.7G270 T281 S282 F288 L289G270-G285 CarbonylContact C-O 3.51Å; G270-G285 WeakPolarHBondContact CA-O 3.32Å; G270-G285 CarbonylContact O-C 3.48Å; G270-G285 WeakPolarHBondContact O-CA 3.47Å; T281-G285 PolarHBondContact O-N 3.03Å; S282-G285 PolarHBondContact O-N 3.44Å; G285-F288 PolarHBondContact O-N 3.27Å; G285-L289 WeakPolarHBondContact O-CB 2.84Å; G285-L289 PolarHBondContact O-N 3.41Å
286A90.2Very high88.9Confident0 Ų022 Ų220%013%0.13CC..Hα-helixtrans-61.8-42.5175.700000113.2P217 M274 S282 F283 L284 L289 A290P217-A286 HydrophobicContact CB-CB 3.49Å; P217-A286 VanDerWaalsContact CB-CB 3.49Å; M274-A286 HydrophobicContact CG-CB 4.04Å; M274-A286 HydrophobicContact SD-CB 3.81Å; S282-A286 PolarHBondContact O-N 2.7Å; F283-A286 WeakPolarHBondContact O-CB 3.35Å; F283-A286 PolarHBondContact O-N 2.85Å; L284-A286 VanDerWaalsContact C-N 3.28Å; L284-A286 PolarHBondContact O-N 3.13Å; A286-L289 PolarHBondContact O-N 3.04Å; A286-A290 WeakPolarHBondContact O-CB 3.49Å; A286-A290 PolarHBondContact O-N 3.33Å
287T94Very high89.3Confident19 Ų1919.8 Ų19.812%0.11712%0.116CC..Hα-helixtrans-69.6-35.7178.659.50000111.7V241 A244 F283 L284 A290 T291V241-T287 HydrophobicContact CG2-CG2 4.37Å; A244-T287 HydrophobicContact CB-CG2 4.38Å; F283-T287 HydrophobicContact CE1-CG2 4.23Å; F283-T287 WeakPolarHBondContact O-CG2 3.48Å; F283-T287 PolarHBondContact O-N 3.3Å; F283-T287 VanDerWaalsContact O-N 3.11Å; L284-T287 PolarHBondContact O-N 3.47Å; L284-T287 VanDerWaalsContact O-N 3.15Å; L284-T287 PolarHBondContact O-OG1 3.22Å; T287-A290 PolarHBondContact O-N 2.89Å; T287-T291 WeakPolarHBondContact O-CB 3.37Å; T287-T291 PolarHBondContact O-N 3.39Å; T287-T291 PolarHBondContact O-OG1 3.1Å
288F94.6Very high89.4Confident71 Ų7118.1 Ų18.131%0.31111%0.106SC..Hα-helixtrans-64.4-47.1172.4-68.6-2.9000111.5F266 L284 G285 A290 T291 Y292F266-F288 HydrophobicContact CD2-CD2 4.42Å; F266-F288 HydrophobicContact CE1-CB 3.8Å; F266-F288 HydrophobicContact CE1-CG 4.22Å; F266-F288 WeakPolarHBondContact CE1-O 3.33Å; F266-F288 HydrophobicContact CE2-CB 4Å; F266-F288 AromaticContact CE2-CD1 3.82Å; F266-F288 HydrophobicContact CE2-CD1 3.82Å; F266-F288 AromaticContact CE2-CD2 3.7Å; F266-F288 HydrophobicContact CE2-CD2 3.7Å; F266-F288 HydrophobicContact CE2-CE1 4.16Å; F266-F288 HydrophobicContact CE2-CE2 4.06Å; F266-F288 AromaticContact CE2-CG 3.57Å; F266-F288 HydrophobicContact CE2-CG 3.57Å; F266-F288 HydrophobicContact CE2-CZ 4.28Å; F266-F288 HydrophobicContact CZ-CB 3.47Å; F266-F288 VanDerWaalsContact CZ-CB 3.47Å; F266-F288 AromaticContact CZ-CD1 3.47Å; F266-F288 HydrophobicContact CZ-CD1 3.47Å; F266-F288 VanDerWaalsContact CZ-CD1 3.47Å; F266-F288 HydrophobicContact CZ-CD2 4.02Å; F266-F288 HydrophobicContact CZ-CE1 4.18Å; F266-F288 AromaticContact CZ-CG 3.38Å; F266-F288 HydrophobicContact CZ-CG 3.38Å; L284-F288 WeakPolarHBondContact O-CG 3.49Å; L284-F288 PolarHBondContact O-N 3.28Å; G285-F288 PolarHBondContact O-N 3.27Å; F288-A290 VanDerWaalsContact C-N 3.35Å; F288-A290 PolarHBondContact O-N 3.16Å; F288-T291 PolarHBondContact O-N 3.04Å; F288-Y292 WeakPolarHBondContact O-CB 3.4Å; F288-Y292 PolarHBondContact O-N 3.2Å
289L92.2Very high89.5Confident2 Ų216.4 Ų16.41%0.019%0.093CC..Hα-helixtrans-61.4-42.6176.4-176.963.6000111.8F210 F211 L271 M274 G285 A286 T291 Y292 L293F210-L289 HydrophobicContact CD2-CD2 3.96Å; F210-L289 HydrophobicContact CE2-CD2 4.47Å; F211-L289 HydrophobicContact CE2-CB 4.46Å; F211-L289 HydrophobicContact CE2-CD2 3.88Å; F211-L289 HydrophobicContact CE2-CG 3.84Å; F211-L289 HydrophobicContact CZ-CB 4.12Å; F211-L289 HydrophobicContact CZ-CD2 4.06Å; F211-L289 HydrophobicContact CZ-CG 3.99Å; L271-L289 HydrophobicContact CB-CD1 3.98Å; L271-L289 HydrophobicContact CB-CD2 4.35Å; L271-L289 HydrophobicContact CD1-CD1 4.42Å; L271-L289 HydrophobicContact CD1-CD2 3.6Å; M274-L289 HydrophobicContact CE-CD2 4.46Å; M274-L289 HydrophobicContact SD-CD2 3.99Å; G285-L289 WeakPolarHBondContact O-CB 2.84Å; G285-L289 PolarHBondContact O-N 3.41Å; A286-L289 PolarHBondContact O-N 3.04Å; L289-T291 VanDerWaalsContact C-N 3.34Å; L289-T291 PolarHBondContact O-N 2.77Å; L289-Y292 PolarHBondContact O-N 3.17Å; L289-L293 HydrophobicContact CD1-CD1 3.99Å; L289-L293 HydrophobicContact CD1-CD2 4.43Å; L289-L293 HydrophobicContact CD1-CG 3.92Å; L289-L293 HydrophobicContact CD2-CD1 4.48Å; L289-L293 HydrophobicContact CG-CD1 3.93Å; L289-L293 HydrophobicContact CG-CG 4.24Å; L289-L293 WeakPolarHBondContact O-CB 3Å; L289-L293 WeakPolarHBondContact O-CG 3.15Å; L289-L293 PolarHBondContact O-N 3.29Å
290A93.8Very high89.6Confident0 Ų016.2 Ų16.20%09%0.091CC..Hα-helixtrans-57.5-48.1176.200000111.3F211 V241 A244 F245 A286 T287 F288 A294F211-A290 HydrophobicContact CD1-CB 4.01Å; F211-A290 HydrophobicContact CE1-CB 3.4Å; F211-A290 HydrophobicContact CZ-CB 3.73Å; V241-A290 HydrophobicContact CG1-CB 4.46Å; A244-A290 HydrophobicContact CB-CB 4.22Å; F245-A290 HydrophobicContact CB-CB 4.39Å; A286-A290 WeakPolarHBondContact O-CB 3.49Å; A286-A290 PolarHBondContact O-N 3.33Å; T287-A290 PolarHBondContact O-N 2.89Å; F288-A290 VanDerWaalsContact C-N 3.35Å; F288-A290 PolarHBondContact O-N 3.16Å; A290-A294 WeakPolarHBondContact O-CB 3.41Å; A290-A294 PolarHBondContact O-N 3.01Å
291T94.8Very high89.3Confident18 Ų1814.9 Ų14.911%0.118%0.078CC..Hα-helixtrans-61.9-45.2179.1-53.70000111A244 G248 L251 W263 T287 F288 L289 S295A244-T291 PolarHBondContact O-OG1 3.42Å; G248-T291 WeakPolarHBondContact CA-O 3.39Å; L251-T291 HydrophobicContact CD1-CG2 3.64Å; W263-T291 HydrophobicContact CH2-CG2 4.05Å; W263-T291 HydrophobicContact CZ2-CG2 4.26Å; T287-T291 WeakPolarHBondContact O-CB 3.37Å; T287-T291 PolarHBondContact O-N 3.39Å; T287-T291 PolarHBondContact O-OG1 3.1Å; F288-T291 PolarHBondContact O-N 3.04Å; L289-T291 VanDerWaalsContact C-N 3.34Å; L289-T291 PolarHBondContact O-N 2.77Å; T291-S295 WeakPolarHBondContact O-CB 3.32Å; T291-S295 PolarHBondContact O-N 2.89Å; T291-S295 VanDerWaalsContact O-N 3.1Å
292Y92.7Very high88.8Confident1 Ų112.2 Ų12.20%0.0046%0.061CC..Hα-helixtrans-63.4-55178.9172.6-100.2000112.1W263 L264 G267 F288 L289 A294 S295 M296 I355W263-Y292 AromaticContact CD1-CD2 3.75Å; W263-Y292 AromaticContact CD1-CE2 3.91Å; W263-Y292 HydrophobicContact CG-CD2 4.33Å; W263-Y292 AromaticContact NE1-CD2 3.67Å; W263-Y292 VanDerWaalsContact O-CD2 3.25Å; W263-Y292 WeakPolarHBondContact O-CD2 3.44Å; W263-Y292 VanDerWaalsContact O-CE2 3.26Å; W263-Y292 WeakPolarHBondContact O-CE2 3.41Å; L264-Y292 VanDerWaalsContact CD1-OH 3.29Å; L264-Y292 WeakPolarHBondContact CD1-OH 3.16Å; G267-Y292 VanDerWaalsContact CA-CG 3.41Å; F288-Y292 WeakPolarHBondContact O-CB 3.4Å; F288-Y292 PolarHBondContact O-N 3.2Å; L289-Y292 PolarHBondContact O-N 3.17Å; Y292-A294 PolarHBondContact O-N 3.06Å; Y292-S295 WeakPolarHBondContact O-CB 3.25Å; Y292-S295 PolarHBondContact O-N 2.72Å; Y292-S295 VanDerWaalsContact O-N 3.13Å; Y292-S295 PolarHBondContact O-OG 3.26Å; Y292-M296 HydrophobicContact CD2-CE 3.92Å; Y292-M296 HydrophobicContact CE2-CE 3.23Å; Y292-M296 WeakPolarHBondContact O-CG 3.32Å; Y292-M296 PolarHBondContact O-N 3.36Å; Y292-I355 HydrophobicContact CE1-CD1 4.48Å; Y292-I355 HydrophobicContact CE1-CG2 4.34Å; Y292-I355 WeakPolarHBondContact OH-CG2 3.19Å
293L91.1Very high88.4Confident0 Ų012.3 Ų12.30%06%0.061CC..Hα-helixtrans-62.2-43.8-177.1-68.8178.5000111.8L206 F211 L289 S295 M296 W297 I355L206-L293 HydrophobicContact CB-CD1 3.69Å; L206-L293 HydrophobicContact CB-CD2 4.36Å; L206-L293 HydrophobicContact CD1-CD1 4.34Å; L206-L293 HydrophobicContact CD1-CD2 3.89Å; F211-L293 HydrophobicContact CD2-CD1 3.83Å; F211-L293 HydrophobicContact CE2-CD1 3.59Å; L289-L293 HydrophobicContact CD1-CD1 3.99Å; L289-L293 HydrophobicContact CD1-CD2 4.43Å; L289-L293 HydrophobicContact CD1-CG 3.92Å; L289-L293 HydrophobicContact CD2-CD1 4.48Å; L289-L293 HydrophobicContact CG-CD1 3.93Å; L289-L293 HydrophobicContact CG-CG 4.24Å; L289-L293 WeakPolarHBondContact O-CB 3Å; L289-L293 WeakPolarHBondContact O-CG 3.15Å; L289-L293 PolarHBondContact O-N 3.29Å; L293-S295 VanDerWaalsContact C-N 3.27Å; L293-S295 PolarHBondContact O-N 2.78Å; L293-M296 PolarHBondContact O-N 3.35Å; L293-M296 VanDerWaalsContact O-N 3.13Å; L293-W297 VanDerWaalsContact O-CD1 3.29Å; L293-W297 PolarHBondContact O-N 3.03Å; L293-I355 HydrophobicContact CD2-CD1 3.79Å
294A92.4Very high88Confident0 Ų011.5 Ų11.50%06%0.058CC..Hα-helixtrans-60.4-37.1176.400000112.4F245 L249 A290 Y292 M296 W297F245-A294 HydrophobicContact CB-CB 4.49Å; F245-A294 HydrophobicContact CD1-CB 3.93Å; F245-A294 HydrophobicContact CD2-CB 3.84Å; F245-A294 HydrophobicContact CE1-CB 4.03Å; F245-A294 HydrophobicContact CE2-CB 3.94Å; F245-A294 HydrophobicContact CG-CB 3.82Å; F245-A294 HydrophobicContact CZ-CB 4.04Å; F245-A294 WeakPolarHBondContact O-CB 3.27Å; L249-A294 HydrophobicContact CD2-CB 4.49Å; L249-A294 WeakPolarHBondContact CD2-O 3.46Å; L249-A294 HydrophobicContact CG-CB 4.21Å; A290-A294 WeakPolarHBondContact O-CB 3.41Å; A290-A294 PolarHBondContact O-N 3.01Å; Y292-A294 PolarHBondContact O-N 3.06Å; A294-M296 PolarHBondContact O-N 2.97Å; A294-W297 PolarHBondContact O-N 3.48Å
295S90.4Very high87.3Confident1 Ų18 Ų81%0.0074%0.041CC..Hα-helixtrans-63.5-29.7176.877.20000113.4G248 S252 L258 W263 T291 Y292 L293G248-S295 WeakPolarHBondContact O-CA 3.33Å; G248-S295 WeakPolarHBondContact O-CB 3.36Å; S252-S295 WeakPolarHBondContact CB-O 3.39Å; L258-S295 WeakPolarHBondContact CD2-O 3.32Å; W263-S295 PolarHBondContact NE1-OG 3.42Å; T291-S295 WeakPolarHBondContact O-CB 3.32Å; T291-S295 PolarHBondContact O-N 2.89Å; T291-S295 VanDerWaalsContact O-N 3.1Å; Y292-S295 WeakPolarHBondContact O-CB 3.25Å; Y292-S295 PolarHBondContact O-N 2.72Å; Y292-S295 VanDerWaalsContact O-N 3.13Å; Y292-S295 PolarHBondContact O-OG 3.26Å; L293-S295 VanDerWaalsContact C-N 3.27Å; L293-S295 PolarHBondContact O-N 2.78Å
296M87.5Confident86.5Confident2 Ų29.7 Ų9.71%0.015%0.049CC..Hα-helixtrans-80.6-27.4-176.1-64.5-58.3174.800113.8I203 L258 W263 Y292 L293 A294 H299 Y300 I355 L359I203-M296 HydrophobicContact CD1-CB 3.61Å; L258-M296 HydrophobicContact CD2-CE 4.05Å; L258-M296 HydrophobicContact CD2-SD 3.54Å; L258-M296 VanDerWaalsContact CD2-SD 3.54Å; W263-M296 VanDerWaalsContact CD1-CE 3.5Å; Y292-M296 HydrophobicContact CD2-CE 3.92Å; Y292-M296 HydrophobicContact CE2-CE 3.23Å; Y292-M296 WeakPolarHBondContact O-CG 3.32Å; Y292-M296 PolarHBondContact O-N 3.36Å; L293-M296 PolarHBondContact O-N 3.35Å; L293-M296 VanDerWaalsContact O-N 3.13Å; A294-M296 PolarHBondContact O-N 2.97Å; M296-H299 PolarHBondContact O-N 2.76Å; M296-H299 VanDerWaalsContact O-N 3.15Å; M296-Y300 HydrophobicContact CB-CD2 4.24Å; M296-Y300 PolarHBondContact O-N 2.96Å; M296-Y300 VanDerWaalsContact O-N 3.08Å; M296-I355 HydrophobicContact CG-CG2 4.25Å; M296-L359 HydrophobicContact CB-CD1 4.33Å; M296-L359 HydrophobicContact CG-CD1 4.3Å; M296-L359 HydrophobicContact SD-CD1 3.33Å; M296-L359 WeakPolarHBondContact SD-CD1 3.2Å
297W85.9Confident85.9Confident6 Ų610.3 Ų10.32%0.0235%0.053CC..Hα-helixtrans-51.8-50.4-175.4-90.2101.4000113.9W19 F200 I203 L204 T207 L293 A294 H299 Y300 F301W19-W297 AromaticContact CH2-CH2 3.5Å; W19-W297 HydrophobicContact CH2-CH2 3.5Å; W19-W297 HydrophobicContact CH2-CZ2 4.12Å; W19-W297 HydrophobicContact CH2-CZ3 4.04Å; W19-W297 HydrophobicContact CZ2-CH2 4.18Å; W19-W297 HydrophobicContact CZ2-CZ3 4.31Å; W19-W297 HydrophobicContact CZ3-CH2 4.46Å; F200-W297 HydrophobicContact CE2-CE3 4.27Å; F200-W297 HydrophobicContact CE2-CH2 4.11Å; F200-W297 AromaticContact CE2-CZ3 3.53Å; F200-W297 HydrophobicContact CE2-CZ3 3.53Å; F200-W297 HydrophobicContact CZ-CH2 4.37Å; F200-W297 AromaticContact CZ-CZ3 3.98Å; F200-W297 HydrophobicContact CZ-CZ3 3.98Å; I203-W297 HydrophobicContact CG2-CD2 4.03Å; I203-W297 VanDerWaalsContact CG2-CE2 3.48Å; I203-W297 HydrophobicContact CG2-CG 4.41Å; I203-W297 HydrophobicContact CG2-CH2 4.33Å; I203-W297 HydrophobicContact CG2-CZ2 3.67Å; L204-W297 HydrophobicContact CD1-CH2 3.93Å; T207-W297 HydrophobicContact CG2-CZ2 3.95Å; T207-W297 WeakPolarHBondContact OG1-CZ2 3.34Å; T207-W297 PolarHBondContact OG1-NE1 2.68Å; L293-W297 VanDerWaalsContact O-CD1 3.29Å; L293-W297 PolarHBondContact O-N 3.03Å; A294-W297 PolarHBondContact O-N 3.48Å; W297-H299 VanDerWaalsContact C-N 3.27Å; W297-H299 PolarHBondContact O-N 3.46Å; W297-Y300 PolarHBondContact O-N 3.19Å; W297-F301 AromaticContact CE3-CD2 3.68Å; W297-F301 HydrophobicContact CE3-CD2 3.68Å; W297-F301 AromaticContact CE3-CE2 3.32Å; W297-F301 HydrophobicContact CE3-CE2 3.32Å; W297-F301 HydrophobicContact CE3-CZ 4.45Å; W297-F301 HydrophobicContact CZ3-CD2 4.15Å; W297-F301 AromaticContact CZ3-CE2 3.46Å; W297-F301 HydrophobicContact CZ3-CE2 3.46Å; W297-F301 VanDerWaalsContact CZ3-CE2 3.46Å; W297-F301 HydrophobicContact CZ3-CZ 4.22Å; W297-F301 WeakPolarHBondContact O-CD2 3.27Å; W297-F301 PolarHBondContact O-N 3.19Å; W297-F301 VanDerWaalsContact O-N 3.09Å
298P83.3Confident85.2Confident0 Ų010.6 Ų10.60%06%0.056CC..Hα-helixtrans-62-31.6-179.3-25.637.1000114.8F129 L249 S252 N302 A375 F376F129-P298 HydrophobicContact CE1-CB 4.13Å; F129-P298 HydrophobicContact CE2-CB 4.34Å; F129-P298 HydrophobicContact CZ-CB 3.5Å; F129-P298 HydrophobicContact CZ-CG 3.83Å; L249-P298 HydrophobicContact CD2-CG 4.35Å; S252-P298 WeakPolarHBondContact OG-CG 3.24Å; P298-N302 PolarHBondContact O-N 3.19Å; P298-A375 HydrophobicContact CB-CB 4.25Å; P298-F376 HydrophobicContact CB-CZ 3.95Å
299H80.6Confident84.4Confident7 Ų77.6 Ų7.63%0.0324%0.043CC..Hα-helixtrans-75.9-43.5178.4-67.2-70.4000111.5S252 N255 L258 M296 W297 F301 N302 V303 L359 H373 F376S252-H299 PolarHBondContact O-NE2 3.47Å; N255-H299 PolarHBondContact OD1-CE1 2.82Å; N255-H299 VanDerWaalsContact OD1-CE1 3.27Å; L258-H299 WeakPolarHBondContact CD1-CD2 3.46Å; L258-H299 WeakPolarHBondContact CD1-NE2 3.1Å; M296-H299 PolarHBondContact O-N 2.76Å; M296-H299 VanDerWaalsContact O-N 3.15Å; W297-H299 VanDerWaalsContact C-N 3.27Å; W297-H299 PolarHBondContact O-N 3.46Å; H299-F301 VanDerWaalsContact C-N 3.34Å; H299-F301 PolarHBondContact O-N 3.34Å; H299-N302 WeakPolarHBondContact O-CB 3.44Å; H299-N302 PolarHBondContact O-N 3.15Å; H299-N302 VanDerWaalsContact O-N 3.12Å; H299-V303 WeakPolarHBondContact O-CG2 3.45Å; H299-V303 PolarHBondContact O-N 3.22Å; H299-L359 HydrophobicContact CB-CD2 3.8Å; H299-H373 AromaticContact CE1-CE1 3.71Å; H299-H373 AromaticContact CE1-NE2 3.29Å; H299-H373 PolarHBondContact CE1-NE2 3.46Å; H299-H373 VanDerWaalsContact CE1-NE2 3.29Å; H299-H373 AromaticContact CG-NE2 3.94Å; H299-H373 AromaticContact ND1-CD2 3.91Å; H299-H373 AromaticContact ND1-CE1 3.68Å; H299-H373 AromaticContact ND1-NE2 2.93Å; H299-H373 PolarHBondContact ND1-NE2 2.84Å; H299-F376 AromaticContact CE1-CE2 3.75Å; H299-F376 AromaticContact NE2-CE2 3.85Å
300Y82.9Confident83.5Confident0 Ų08.2 Ų8.20%05%0.05CC..Hα-helixtrans-58.2-47.2175.7-98-80.8000112.1G199 F200 I203 M296 W297 N302 V303 L304 I355 G358 L359G199-Y300 VanDerWaalsContact C-CE1 3.48Å; G199-Y300 WeakPolarHBondContact CA-OH 3.29Å; F200-Y300 HydrophobicContact CB-CD1 3.9Å; F200-Y300 HydrophobicContact CB-CE1 4.17Å; F200-Y300 HydrophobicContact CD2-CD1 4.15Å; F200-Y300 HydrophobicContact CD2-CG 4.43Å; F200-Y300 VanDerWaalsContact N-CE1 3.34Å; I203-Y300 HydrophobicContact CD1-CD2 3.19Å; I203-Y300 HydrophobicContact CD1-CE2 3.21Å; I203-Y300 HydrophobicContact CD1-CG 4.01Å; I203-Y300 HydrophobicContact CG1-CD2 4.34Å; I203-Y300 HydrophobicContact CG1-CE2 4.11Å; M296-Y300 HydrophobicContact CB-CD2 4.24Å; M296-Y300 PolarHBondContact O-N 2.96Å; M296-Y300 VanDerWaalsContact O-N 3.08Å; W297-Y300 PolarHBondContact O-N 3.19Å; Y300-N302 VanDerWaalsContact C-N 3.27Å; Y300-N302 PolarHBondContact O-N 2.81Å; Y300-V303 PolarHBondContact O-N 3.08Å; Y300-V303 VanDerWaalsContact O-N 3.15Å; Y300-L304 WeakPolarHBondContact O-CB 3.49Å; Y300-L304 VanDerWaalsContact O-CG 3.28Å; Y300-L304 WeakPolarHBondContact O-CG 3.2Å; Y300-L304 PolarHBondContact O-N 3.45Å; Y300-I355 HydrophobicContact CE2-CG2 4.1Å; Y300-I355 VanDerWaalsContact OH-C 3.23Å; Y300-I355 VanDerWaalsContact OH-CA 3.24Å; Y300-I355 WeakPolarHBondContact OH-CA 3.11Å; Y300-I355 PolarHBondContact OH-O 3.1Å; Y300-G358 WeakPolarHBondContact OH-CA 3.22Å; Y300-L359 HydrophobicContact CD1-CD2 4.44Å; Y300-L359 HydrophobicContact CD2-CD1 3.8Å; Y300-L359 HydrophobicContact CD2-CD2 3.57Å; Y300-L359 HydrophobicContact CD2-CG 3.69Å; Y300-L359 HydrophobicContact CE1-CD2 4.49Å; Y300-L359 HydrophobicContact CE1-CG 4.48Å; Y300-L359 HydrophobicContact CE2-CD1 3.44Å; Y300-L359 VanDerWaalsContact CE2-CD1 3.44Å; Y300-L359 HydrophobicContact CE2-CD2 3.66Å; Y300-L359 HydrophobicContact CE2-CG 3.24Å; Y300-L359 HydrophobicContact CG-CD2 4Å; Y300-L359 HydrophobicContact CG-CG 4.49Å
301F80Confident82.8Confident12 Ų1215.3 Ų15.35%0.0538%0.077CC..Hα-helixtrans-59.3-38.4175.3-94.8-80.6000113.2F113 I117 F129 W297 H299 S305F113-F301 AromaticContact CE2-CE1 3.39Å; F113-F301 HydrophobicContact CE2-CE1 3.39Å; F113-F301 AromaticContact CE2-CZ 3.65Å; F113-F301 HydrophobicContact CE2-CZ 3.65Å; F113-F301 HydrophobicContact CZ-CD1 4.39Å; F113-F301 AromaticContact CZ-CE1 3.41Å; F113-F301 HydrophobicContact CZ-CE1 3.41Å; F113-F301 VanDerWaalsContact CZ-CE1 3.41Å; F113-F301 AromaticContact CZ-CZ 3.81Å; F113-F301 HydrophobicContact CZ-CZ 3.81Å; I117-F301 HydrophobicContact CD1-CD1 4.16Å; I117-F301 HydrophobicContact CD1-CE1 4.03Å; F129-F301 HydrophobicContact CD2-CB 3.26Å; F129-F301 AromaticContact CD2-CD1 3.76Å; F129-F301 HydrophobicContact CD2-CD1 3.76Å; F129-F301 AromaticContact CD2-CD2 3.71Å; F129-F301 HydrophobicContact CD2-CD2 3.71Å; F129-F301 HydrophobicContact CD2-CE1 4.43Å; F129-F301 HydrophobicContact CD2-CE2 4.39Å; F129-F301 AromaticContact CD2-CG 3.33Å; F129-F301 HydrophobicContact CD2-CG 3.33Å; F129-F301 HydrophobicContact CE2-CB 3.39Å; F129-F301 HydrophobicContact CE2-CD1 4.37Å; F129-F301 AromaticContact CE2-CD2 3.48Å; F129-F301 HydrophobicContact CE2-CD2 3.48Å; F129-F301 VanDerWaalsContact CE2-CD2 3.48Å; F129-F301 HydrophobicContact CE2-CE2 4.26Å; F129-F301 AromaticContact CE2-CG 3.53Å; F129-F301 HydrophobicContact CE2-CG 3.53Å; F129-F301 HydrophobicContact CG-CB 4.35Å; W297-F301 AromaticContact CE3-CD2 3.68Å; W297-F301 HydrophobicContact CE3-CD2 3.68Å; W297-F301 AromaticContact CE3-CE2 3.32Å; W297-F301 HydrophobicContact CE3-CE2 3.32Å; W297-F301 HydrophobicContact CE3-CZ 4.45Å; W297-F301 HydrophobicContact CZ3-CD2 4.15Å; W297-F301 AromaticContact CZ3-CE2 3.46Å; W297-F301 HydrophobicContact CZ3-CE2 3.46Å; W297-F301 VanDerWaalsContact CZ3-CE2 3.46Å; W297-F301 HydrophobicContact CZ3-CZ 4.22Å; W297-F301 WeakPolarHBondContact O-CD2 3.27Å; W297-F301 PolarHBondContact O-N 3.19Å; W297-F301 VanDerWaalsContact O-N 3.09Å; H299-F301 VanDerWaalsContact C-N 3.34Å; H299-F301 PolarHBondContact O-N 3.34Å; F301-S305 PolarHBondContact O-N 3.41Å
302N77.8Confident82.2Confident11 Ų1114.5 Ų14.56%0.0597%0.071CC..Hα-helixtrans-60.7-48.7174.7-175.663.9000110.8P298 H299 Y300 S305 H306 H373 I374P298-N302 PolarHBondContact O-N 3.19Å; H299-N302 WeakPolarHBondContact O-CB 3.44Å; H299-N302 PolarHBondContact O-N 3.15Å; H299-N302 VanDerWaalsContact O-N 3.12Å; Y300-N302 VanDerWaalsContact C-N 3.27Å; Y300-N302 PolarHBondContact O-N 2.81Å; N302-S305 PolarHBondContact O-N 2.73Å; N302-S305 PolarHBondContact O-OG 3.41Å; N302-H306 PolarHBondContact O-CD2 3.08Å; N302-H373 PolarHBondContact ND2-CD2 2.67Å; N302-I374 WeakPolarHBondContact OD1-CB 3.2Å; N302-I374 WeakPolarHBondContact OD1-CG1 3.14Å; N302-I374 PolarHBondContact OD1-N 3.08Å
303V79.6Confident81.7Confident2 Ų215.4 Ų15.41%0.0128%0.076CC..Hα-helixtrans-64.6-44.3179-172.80000111.9P191 V196 H299 Y300 S305 H306 C307 L359 N362P191-V303 HydrophobicContact CG-CG1 4.3Å; V196-V303 HydrophobicContact CB-CG1 4.38Å; V196-V303 HydrophobicContact CG1-CB 4.27Å; V196-V303 HydrophobicContact CG1-CG1 3.83Å; V196-V303 HydrophobicContact CG2-CG1 3.57Å; H299-V303 WeakPolarHBondContact O-CG2 3.45Å; H299-V303 PolarHBondContact O-N 3.22Å; Y300-V303 PolarHBondContact O-N 3.08Å; Y300-V303 VanDerWaalsContact O-N 3.15Å; V303-S305 PolarHBondContact O-N 3.03Å; V303-S305 VanDerWaalsContact O-N 3.11Å; V303-H306 PolarHBondContact O-N 3.12Å; V303-C307 PolarHBondContact O-N 3.22Å; V303-L359 HydrophobicContact CG2-CD2 4.37Å; V303-N362 HydrophobicContact CG1-CB 4.48Å; V303-N362 HydrophobicContact CG2-CB 3.93Å; V303-N362 WeakPolarHBondContact CG2-ND2 3.26Å
304L80.8Confident81.1Confident0 Ų016.9 Ų16.90%09%0.085CC..Hα-helixtrans-54.5-33.5179.4-78.1178.2000113.4V196 F200 Y300 H306 C307 I309 T312V196-L304 HydrophobicContact CG1-CD2 3.88Å; V196-L304 HydrophobicContact CG1-CG 4.39Å; F200-L304 HydrophobicContact CB-CD2 4.33Å; F200-L304 HydrophobicContact CD1-CD1 3.99Å; F200-L304 HydrophobicContact CD1-CD2 4.41Å; F200-L304 HydrophobicContact CD2-CD1 3.49Å; F200-L304 VanDerWaalsContact CD2-CD1 3.49Å; F200-L304 HydrophobicContact CD2-CG 4.33Å; F200-L304 HydrophobicContact CE1-CD1 3.95Å; F200-L304 HydrophobicContact CE2-CD1 3.42Å; F200-L304 VanDerWaalsContact CE2-CD1 3.42Å; F200-L304 HydrophobicContact CG-CD1 3.77Å; F200-L304 HydrophobicContact CG-CD2 4.21Å; F200-L304 HydrophobicContact CG-CG 4.39Å; F200-L304 HydrophobicContact CZ-CD1 3.67Å; Y300-L304 WeakPolarHBondContact O-CB 3.49Å; Y300-L304 VanDerWaalsContact O-CG 3.28Å; Y300-L304 WeakPolarHBondContact O-CG 3.2Å; Y300-L304 PolarHBondContact O-N 3.45Å; L304-H306 PolarHBondContact O-N 3.41Å; L304-C307 PolarHBondContact O-N 3.25Å; L304-I309 HydrophobicContact CB-CD1 4.14Å; L304-I309 HydrophobicContact CD2-CD1 4.24Å; L304-T312 HydrophobicContact CD2-CG2 3.48Å; L304-T312 VanDerWaalsContact CD2-CG2 3.48Å
305S77.3Confident80.7Confident17 Ų1719 Ų1912%0.11910%0.098CC..THydrogen-bonded Turntrans-67.3-17.2179.479.80000114.7F301 N302 V303 I374F301-S305 PolarHBondContact O-N 3.41Å; N302-S305 PolarHBondContact O-N 2.73Å; N302-S305 PolarHBondContact O-OG 3.41Å; V303-S305 PolarHBondContact O-N 3.03Å; V303-S305 VanDerWaalsContact O-N 3.11Å; S305-I374 VanDerWaalsContact CB-CD1 3.49Å; S305-I374 WeakPolarHBondContact OG-CD1 3.02Å
306H75.2Confident80.4Confident34 Ų3419 Ų1916%0.15710%0.098CC..THydrogen-bonded Turntrans-103.6-11.7179.7-63.9-72.7000112.8P191 N302 V303 L304 I367P191-H306 HydrophobicContact CG-CB 4.28Å; N302-H306 PolarHBondContact O-CD2 3.08Å; V303-H306 PolarHBondContact O-N 3.12Å; L304-H306 PolarHBondContact O-N 3.41Å; H306-I367 HydrophobicContact CB-CD1 4.05Å; H306-I367 WeakPolarHBondContact CD2-CD1 3.33Å
307C77.8Confident80Confident13 Ų1320.7 Ų20.79%0.08811%0.108CC..SBendtrans-80.4163.7173.5-63.40000111.4W193 V303 L304 I309 T312W193-C307 HydrophobicContact CB-CB 3.88Å; V303-C307 PolarHBondContact O-N 3.22Å; L304-C307 PolarHBondContact O-N 3.25Å; C307-I309 PolarHBondContact O-N 2.88Å; C307-T312 HydrophobicContact CB-CG2 4.45Å; C307-T312 WeakPolarHBondContact CB-OG1 3.49Å
308S78.3Confident79.7Confident25 Ų2525 Ų2518%0.17513%0.131CC..  trans-66.475.7159.845.80000110.6E190 G310 R311 T312E190-S308 WeakPolarHBondContact OE2-CB 3.41Å; E190-S308 PolarHBondContact OE2-OG 2.74Å; S308-G310 CarbonylContact O-C 3.34Å; S308-G310 WeakPolarHBondContact O-CA 3.38Å; S308-G310 PolarHBondContact O-N 3.07Å; S308-R311 PolarHBondContact O-N 2.86Å; S308-T312 PolarHBondContact O-N 3Å; S308-T312 PolarHBondContact O-OG1 3.24Å
309I78Confident79.7Confident9 Ų926.3 Ų26.35%0.04614%0.139CC..Hα-helixtrans-47.6-32.6-173-167.864.4000112.8R56 T114 I117 L304 C307 M313R56-I309 VanDerWaalsContact NH1-C 3.31Å; R56-I309 PolarHBondContact NH1-O 3.25Å; T114-I309 HydrophobicContact CG2-CG1 4.17Å; I117-I309 HydrophobicContact CB-CG1 4.45Å; I117-I309 HydrophobicContact CD1-CD1 4.35Å; I117-I309 HydrophobicContact CG2-CD1 4.12Å; I117-I309 HydrophobicContact CG2-CG1 4.16Å; L304-I309 HydrophobicContact CB-CD1 4.14Å; L304-I309 HydrophobicContact CD2-CD1 4.24Å; C307-I309 PolarHBondContact O-N 2.88Å; I309-M313 HydrophobicContact CD1-CG 3.86Å; I309-M313 HydrophobicContact CD1-SD 4.28Å; I309-M313 HydrophobicContact CG1-CG 4.03Å; I309-M313 WeakPolarHBondContact O-CB 3.23Å; I309-M313 VanDerWaalsContact O-CG 3.27Å; I309-M313 WeakPolarHBondContact O-CG 3.34Å; I309-M313 PolarHBondContact O-N 3.31Å
310G73.4Confident79.8Confident15 Ų1526.3 Ų26.316%0.15514%0.139CC..Hα-helixtrans-6.9-96.1143.600000116.8R56 S308R56-G310 VanDerWaalsContact CD-O 3.28Å; R56-G310 WeakPolarHBondContact CD-O 3.26Å; R56-G310 VanDerWaalsContact CZ-N 3.26Å; R56-G310 VanDerWaalsContact NH1-N 3.14Å; R56-G310 PolarHBondContact NH1-O 2.83Å; S308-G310 CarbonylContact O-C 3.34Å; S308-G310 WeakPolarHBondContact O-CA 3.38Å; S308-G310 PolarHBondContact O-N 3.07Å
311R78.9Confident79.4Confident149 Ų14927.6 Ų27.656%0.56215%0.146SC*.Hα-helixtrans-75.7-35.2-171-58.4171.1176.9177.1-4.5110W193 S308 M313 V314 V315W193-R311 HydrophobicContact CD2-CB 4.23Å; W193-R311 HydrophobicContact CE3-CB 3.77Å; W193-R311 HydrophobicContact CH2-CB 3.59Å; W193-R311 HydrophobicContact CZ2-CB 4.06Å; W193-R311 VanDerWaalsContact CZ3-C 3.48Å; W193-R311 HydrophobicContact CZ3-CB 3.43Å; W193-R311 VanDerWaalsContact CZ3-CB 3.43Å; S308-R311 PolarHBondContact O-N 2.86Å; R311-M313 PolarHBondContact O-N 3.35Å; R311-V314 WeakPolarHBondContact O-CB 3.48Å; R311-V314 PolarHBondContact O-N 2.96Å; R311-V314 VanDerWaalsContact O-N 3.16Å; R311-V315 PolarHBondContact O-N 3.42Å; R311-V315 VanDerWaalsContact O-N 3.14Å
312T83.2Confident79.2Confident0 Ų028.8 Ų28.80%016%0.161CC..Hα-helixtrans-54.8-51.2176.9-46.60000111.5A197 L304 C307 S308 V314 V315 S316A197-T312 HydrophobicContact CB-CG2 3.71Å; A197-T312 WeakPolarHBondContact CB-O 3.1Å; L304-T312 HydrophobicContact CD2-CG2 3.48Å; L304-T312 VanDerWaalsContact CD2-CG2 3.48Å; C307-T312 HydrophobicContact CB-CG2 4.45Å; C307-T312 WeakPolarHBondContact CB-OG1 3.49Å; S308-T312 PolarHBondContact O-N 3Å; S308-T312 PolarHBondContact O-OG1 3.24Å; T312-V314 VanDerWaalsContact C-N 3.3Å; T312-V314 PolarHBondContact O-N 2.99Å; T312-V315 PolarHBondContact O-N 2.81Å; T312-S316 WeakPolarHBondContact O-CB 3.26Å; T312-S316 PolarHBondContact O-N 3.48Å; T312-S316 PolarHBondContact O-OG 3.12Å
313M80.9Confident79.3Confident20 Ų2029.3 Ų29.310%0.09916%0.163CC..Hα-helixtrans-64.7-33-179.6-73-62-64.900113.4F113 T114 F200 I309 R311 S316 V317F113-M313 HydrophobicContact CD1-CE 3.98Å; F113-M313 HydrophobicContact CD1-SD 4.25Å; F113-M313 HydrophobicContact CE1-CE 3.87Å; F113-M313 HydrophobicContact CE1-SD 3.74Å; T114-M313 HydrophobicContact CG2-CB 4.43Å; T114-M313 HydrophobicContact CG2-CG 3.83Å; F200-M313 HydrophobicContact CD1-SD 4.36Å; F200-M313 HydrophobicContact CE1-CE 4.41Å; F200-M313 HydrophobicContact CE1-SD 3.87Å; I309-M313 HydrophobicContact CD1-CG 3.86Å; I309-M313 HydrophobicContact CD1-SD 4.28Å; I309-M313 HydrophobicContact CG1-CG 4.03Å; I309-M313 WeakPolarHBondContact O-CB 3.23Å; I309-M313 VanDerWaalsContact O-CG 3.27Å; I309-M313 WeakPolarHBondContact O-CG 3.34Å; I309-M313 PolarHBondContact O-N 3.31Å; R311-M313 PolarHBondContact O-N 3.35Å; M313-S316 PolarHBondContact O-N 3.06Å; M313-V317 WeakPolarHBondContact O-CB 3.41Å; M313-V317 VanDerWaalsContact O-CG2 3.25Å; M313-V317 WeakPolarHBondContact O-CG2 3.43Å; M313-V317 PolarHBondContact O-N 3.39Å
314V78.4Confident79Confident31 Ų3129.4 Ų29.419%0.18816%0.164CC..Hα-helixtrans-62.2-51.5176.8177.10000110.1C53 R311 T312 V317 L318C53-V314 HydrophobicContact CB-CB 4.08Å; C53-V314 HydrophobicContact CB-CG1 3.83Å; C53-V314 HydrophobicContact CB-CG2 3.62Å; C53-V314 WeakPolarHBondContact O-CG2 3.31Å; R311-V314 WeakPolarHBondContact O-CB 3.48Å; R311-V314 PolarHBondContact O-N 2.96Å; R311-V314 VanDerWaalsContact O-N 3.16Å; T312-V314 VanDerWaalsContact C-N 3.3Å; T312-V314 PolarHBondContact O-N 2.99Å; V314-V317 PolarHBondContact O-N 3.19Å; V314-L318 HydrophobicContact CG1-CD1 4.31Å; V314-L318 WeakPolarHBondContact O-CG 3.5Å; V314-L318 PolarHBondContact O-N 3.45Å; V314-L318 VanDerWaalsContact O-N 3.07Å
315V84Confident78.5Confident44 Ų4431.5 Ų31.527%0.26718%0.177SC..Hα-helixtrans-64.9-41.4178.9174.40000110.6W193 A197 V198 R311 T312 V317 L318 V319W193-V315 HydrophobicContact CH2-CG2 4.23Å; W193-V315 HydrophobicContact CZ3-CB 4.47Å; W193-V315 HydrophobicContact CZ3-CG2 3.8Å; A197-V315 HydrophobicContact CB-CB 3.65Å; A197-V315 HydrophobicContact CB-CG1 3.65Å; V198-V315 HydrophobicContact CG2-CG1 4.38Å; R311-V315 PolarHBondContact O-N 3.42Å; R311-V315 VanDerWaalsContact O-N 3.14Å; T312-V315 PolarHBondContact O-N 2.81Å; V315-V317 VanDerWaalsContact C-N 3.35Å; V315-V317 PolarHBondContact O-N 3.36Å; V315-L318 PolarHBondContact O-N 2.97Å; V315-V319 HydrophobicContact CG1-CG2 4.33Å; V315-V319 WeakPolarHBondContact O-CG2 3.05Å; V315-V319 PolarHBondContact O-N 2.58Å
316S84.3Confident78.2Confident1 Ų134.6 Ų34.61%0.00720%0.197CC..Hα-helixtrans-60.5-40.1176.4-61.90000113.3A197 G201 T312 M313 Y320A197-S316 VanDerWaalsContact CA-OG 3.27Å; A197-S316 WeakPolarHBondContact CA-OG 3.48Å; A197-S316 WeakPolarHBondContact O-CA 3.3Å; A197-S316 WeakPolarHBondContact O-CB 3.37Å; A197-S316 PolarHBondContact O-OG 3.01Å; G201-S316 WeakPolarHBondContact CA-O 3.38Å; T312-S316 WeakPolarHBondContact O-CB 3.26Å; T312-S316 PolarHBondContact O-N 3.48Å; T312-S316 PolarHBondContact O-OG 3.12Å; M313-S316 PolarHBondContact O-N 3.06Å; S316-Y320 VanDerWaalsContact O-CB 3.28Å; S316-Y320 WeakPolarHBondContact O-CB 3.5Å; S316-Y320 PolarHBondContact O-N 2.92Å
317V79.9Confident77.9Confident38 Ų3833.7 Ų33.723%0.2319%0.193CC..Hα-helixtrans-69-38.6177169.80000111.2M313 V314 V315 Y320 L321M313-V317 WeakPolarHBondContact O-CB 3.41Å; M313-V317 VanDerWaalsContact O-CG2 3.25Å; M313-V317 WeakPolarHBondContact O-CG2 3.43Å; M313-V317 PolarHBondContact O-N 3.39Å; V314-V317 PolarHBondContact O-N 3.19Å; V315-V317 VanDerWaalsContact C-N 3.35Å; V315-V317 PolarHBondContact O-N 3.36Å; V317-Y320 PolarHBondContact O-N 2.96Å; V317-L321 HydrophobicContact CG1-CD1 4.06Å; V317-L321 HydrophobicContact CG1-CG 4.4Å; V317-L321 WeakPolarHBondContact O-CG 3.47Å; V317-L321 PolarHBondContact O-N 2.6Å
318L79.9Confident77.3Confident97 Ų9733.5 Ų33.551%0.50819%0.191SC..Hα-helixtrans-64.4-43.5175.1-69.9173.4000111.8V314 V315 L321 G322V314-L318 HydrophobicContact CG1-CD1 4.31Å; V314-L318 WeakPolarHBondContact O-CG 3.5Å; V314-L318 PolarHBondContact O-N 3.45Å; V314-L318 VanDerWaalsContact O-N 3.07Å; V315-L318 PolarHBondContact O-N 2.97Å; L318-L321 PolarHBondContact O-N 3.24Å; L318-G322 PolarHBondContact O-N 2.93Å
319V83.3Confident76.6Confident28 Ų2836.6 Ų36.617%0.1720%0.203CC..Hα-helixtrans-62-46.7173.9171.60000110.1V198 V315 L321 G322 E323V198-V319 HydrophobicContact CG2-CG2 4.22Å; V315-V319 HydrophobicContact CG1-CG2 4.33Å; V315-V319 WeakPolarHBondContact O-CG2 3.05Å; V315-V319 PolarHBondContact O-N 2.58Å; V319-L321 PolarHBondContact O-N 3.08Å; V319-G322 PolarHBondContact O-N 3.4Å; V319-E323 HydrophobicContact CG1-CG 4.01Å; V319-E323 WeakPolarHBondContact O-CB 3.35Å; V319-E323 WeakPolarHBondContact O-CG 3.29Å; V319-E323 PolarHBondContact O-N 3.37Å
320Y80.9Confident75.9Confident7 Ų737.4 Ų37.43%0.02721%0.211CC..Hα-helixtrans-54.5-51.7176.1167.7-108.8000112.7T26 L204 T205 Y208 S316 V317 L324T26-Y320 PolarHBondContact OG1-OH 3.38Å; L204-Y320 HydrophobicContact CB-CD2 4.34Å; L204-Y320 HydrophobicContact CD2-CD2 4.1Å; L204-Y320 HydrophobicContact CD2-CG 3.99Å; L204-Y320 HydrophobicContact CG-CD2 4.02Å; L204-Y320 HydrophobicContact CG-CE2 4.43Å; L204-Y320 HydrophobicContact CG-CG 4.42Å; T205-Y320 WeakPolarHBondContact OG1-CA 3.4Å; Y208-Y320 HydrophobicContact CD1-CE2 4.3Å; Y208-Y320 WeakPolarHBondContact CD2-OH 3.29Å; Y208-Y320 AromaticContact CG-CE2 3.96Å; Y208-Y320 HydrophobicContact CG-CE2 3.96Å; Y208-Y320 VanDerWaalsContact CG-OH 3.32Å; S316-Y320 VanDerWaalsContact O-CB 3.28Å; S316-Y320 WeakPolarHBondContact O-CB 3.5Å; S316-Y320 PolarHBondContact O-N 2.92Å; V317-Y320 PolarHBondContact O-N 2.96Å; Y320-L324 HydrophobicContact CE1-CD2 4.5Å; Y320-L324 WeakPolarHBondContact O-CB 3.4Å; Y320-L324 PolarHBondContact O-N 2.98Å
321L76Confident75.2Confident27 Ų2737.7 Ų37.714%0.14121%0.209CC..Hα-helixtrans-68.1-39.1-179.4-68.6175.5000112.2L29 V317 L318 V319 T325L29-L321 HydrophobicContact CD1-CD2 4.36Å; V317-L321 HydrophobicContact CG1-CD1 4.06Å; V317-L321 HydrophobicContact CG1-CG 4.4Å; V317-L321 WeakPolarHBondContact O-CG 3.47Å; V317-L321 PolarHBondContact O-N 2.6Å; L318-L321 PolarHBondContact O-N 3.24Å; V319-L321 PolarHBondContact O-N 3.08Å; L321-T325 WeakPolarHBondContact O-CB 3.39Å; L321-T325 PolarHBondContact O-N 3.23Å; L321-T325 PolarHBondContact O-OG1 3.19Å
322G75.6Confident74Confident36 Ų3632.6 Ų32.637%0.37119%0.19SC..Hα-helixtrans-64.8-53.5178.200000111.8L318 V319 T325 C326L318-G322 PolarHBondContact O-N 2.93Å; V319-G322 PolarHBondContact O-N 3.4Å; G322-T325 WeakPolarHBondContact O-CB 3.38Å; G322-T325 PolarHBondContact O-N 3.4Å; G322-C326 PolarHBondContact O-N 3.13Å; G322-C326 PolarHBondContact O-SG 3.35Å
323E79.6Confident72.5Confident22 Ų2235.5 Ų35.510%0.10321%0.21CC..Hα-helixtrans-65-40178-68.4-177.1165.600112.2T202 T205 V319 T325 C326 I327 F351T202-E323 WeakPolarHBondContact CA-OE2 2.96Å; T202-E323 PolarHBondContact OG1-OE1 3.48Å; T205-E323 VanDerWaalsContact CB-OE2 3.25Å; T205-E323 WeakPolarHBondContact CB-OE2 2.83Å; T205-E323 HydrophobicContact CG2-CB 3.75Å; T205-E323 PolarHBondContact OG1-OE2 3.35Å; V319-E323 HydrophobicContact CG1-CG 4.01Å; V319-E323 WeakPolarHBondContact O-CB 3.35Å; V319-E323 WeakPolarHBondContact O-CG 3.29Å; V319-E323 PolarHBondContact O-N 3.37Å; E323-T325 VanDerWaalsContact C-N 3.29Å; E323-T325 PolarHBondContact O-N 2.93Å; E323-C326 CarbonylContact O-C 3.58Å; E323-C326 WeakPolarHBondContact O-CB 3.19Å; E323-C326 PolarHBondContact O-N 3.24Å; E323-C326 VanDerWaalsContact O-N 3.16Å; E323-I327 WeakPolarHBondContact O-CG1 3.39Å; E323-I327 PolarHBondContact O-N 2.96Å; E323-F351 HydrophobicContact CB-CE1 4.13Å; E323-F351 VanDerWaalsContact CD-CE1 3.48Å; E323-F351 HydrophobicContact CG-CE1 3.79Å
324L74.2Confident71.1Confident5 Ų535.9 Ų35.93%0.02621%0.213CC..Hα-helixtrans-58.9-44.4174.1178.466.4000110.7T26 T205 Y208 Y320 C326 I327 I328T26-L324 HydrophobicContact CG2-CD2 3.45Å; T26-L324 VanDerWaalsContact CG2-CD2 3.45Å; T205-L324 HydrophobicContact CG2-CB 4.3Å; Y208-L324 HydrophobicContact CD1-CD1 3.92Å; Y208-L324 HydrophobicContact CE1-CD1 4.08Å; Y320-L324 HydrophobicContact CE1-CD2 4.5Å; Y320-L324 WeakPolarHBondContact O-CB 3.4Å; Y320-L324 PolarHBondContact O-N 2.98Å; L324-C326 VanDerWaalsContact C-N 3.34Å; L324-I327 PolarHBondContact O-N 3.11Å; L324-I328 HydrophobicContact CD1-CD1 4.01Å; L324-I328 HydrophobicContact CD1-CG1 4.36Å; L324-I328 HydrophobicContact CD2-CD1 4.4Å; L324-I328 HydrophobicContact CG-CD1 3.73Å; L324-I328 HydrophobicContact CG-CG1 4.49Å; L324-I328 WeakPolarHBondContact O-CB 3.34Å; L324-I328 WeakPolarHBondContact O-CD1 3.44Å; L324-I328 WeakPolarHBondContact O-CG1 3.26Å; L324-I328 PolarHBondContact O-N 2.68Å
325T69.4Low69.8Low44 Ų4435.9 Ų35.927%0.2721%0.21SC..Hα-helixtrans-62.1-42.6175.1-60.20000111.3F34 L321 G322 E323 I328 Q329F34-T325 HydrophobicContact CE1-CG2 4.14Å; F34-T325 HydrophobicContact CZ-CG2 3.82Å; L321-T325 WeakPolarHBondContact O-CB 3.39Å; L321-T325 PolarHBondContact O-N 3.23Å; L321-T325 PolarHBondContact O-OG1 3.19Å; G322-T325 WeakPolarHBondContact O-CB 3.38Å; G322-T325 PolarHBondContact O-N 3.4Å; E323-T325 VanDerWaalsContact C-N 3.29Å; E323-T325 PolarHBondContact O-N 2.93Å; T325-I328 PolarHBondContact O-N 2.71Å; T325-Q329 WeakPolarHBondContact O-CB 3.44Å; T325-Q329 PolarHBondContact O-N 3.48Å
326C70.4Confident68.1Low82 Ų8242 Ų4255%0.55423%0.229SC*.Hα-helixtrans-61.9-43.4174.8-70.40000112G322 E323 L324 Q329 A330G322-C326 PolarHBondContact O-N 3.13Å; G322-C326 PolarHBondContact O-SG 3.35Å; E323-C326 CarbonylContact O-C 3.58Å; E323-C326 WeakPolarHBondContact O-CB 3.19Å; E323-C326 PolarHBondContact O-N 3.24Å; E323-C326 VanDerWaalsContact O-N 3.16Å; L324-C326 VanDerWaalsContact C-N 3.34Å; C326-Q329 PolarHBondContact O-N 3.29Å; C326-A330 WeakPolarHBondContact O-CA 3.32Å; C326-A330 WeakPolarHBondContact O-CB 3.34Å; C326-A330 PolarHBondContact O-N 3.28Å
327I69.8Low66.5Low15 Ų1543.9 Ų43.98%0.07724%0.242CC..Hα-helixtrans-66.3-46.6178-67.4165.3000110.3T205 T209 E323 L324 Q329 A330 L331 F351T205-I327 HydrophobicContact CG2-CD1 3.63Å; T209-I327 HydrophobicContact CG2-CD1 4.44Å; T209-I327 HydrophobicContact CG2-CG2 3.9Å; E323-I327 WeakPolarHBondContact O-CG1 3.39Å; E323-I327 PolarHBondContact O-N 2.96Å; L324-I327 PolarHBondContact O-N 3.11Å; I327-Q329 VanDerWaalsContact C-N 3.28Å; I327-Q329 PolarHBondContact O-N 3.39Å; I327-A330 PolarHBondContact O-N 2.99Å; I327-L331 HydrophobicContact CG2-CD1 3.65Å; I327-L331 HydrophobicContact CG2-CG 4.19Å; I327-L331 WeakPolarHBondContact O-CB 3.37Å; I327-L331 WeakPolarHBondContact O-CG 3.29Å; I327-L331 PolarHBondContact O-N 3.43Å; I327-F351 HydrophobicContact CD1-CE2 4.15Å; I327-F351 HydrophobicContact CD1-CZ 3.99Å; I327-F351 HydrophobicContact CG1-CE2 4.27Å; I327-F351 HydrophobicContact CG1-CZ 4Å
328I65.7Low65.1Low8 Ų850.8 Ų50.84%0.04127%0.27CS..Hα-helixtrans-57.4-45.9175.5-69.4160000109.8L324 T325 R332 V470 Y471L324-I328 HydrophobicContact CD1-CD1 4.01Å; L324-I328 HydrophobicContact CD1-CG1 4.36Å; L324-I328 HydrophobicContact CD2-CD1 4.4Å; L324-I328 HydrophobicContact CG-CD1 3.73Å; L324-I328 HydrophobicContact CG-CG1 4.49Å; L324-I328 WeakPolarHBondContact O-CB 3.34Å; L324-I328 WeakPolarHBondContact O-CD1 3.44Å; L324-I328 WeakPolarHBondContact O-CG1 3.26Å; L324-I328 PolarHBondContact O-N 2.68Å; T325-I328 PolarHBondContact O-N 2.71Å; I328-R332 WeakPolarHBondContact O-CB 3.48Å; I328-R332 WeakPolarHBondContact O-CG 3.05Å; I328-R332 PolarHBondContact O-N 2.81Å; I328-V470 HydrophobicContact CG1-CG1 4.02Å; I328-Y471 HydrophobicContact CB-CE1 4.33Å; I328-Y471 HydrophobicContact CD1-CD1 3.76Å; I328-Y471 HydrophobicContact CD1-CE1 3.53Å; I328-Y471 HydrophobicContact CG1-CD1 4.05Å; I328-Y471 HydrophobicContact CG1-CE1 3.6Å; I328-Y471 HydrophobicContact CG2-CE1 3.73Å
329Q63.5Low64.3Low90 Ų9051.6 Ų51.642%0.42127%0.273SS..Hα-helixtrans-69-35.8179.5-171.560.627.500112.2T325 C326 I327 R332 S333T325-Q329 WeakPolarHBondContact O-CB 3.44Å; T325-Q329 PolarHBondContact O-N 3.48Å; C326-Q329 PolarHBondContact O-N 3.29Å; I327-Q329 VanDerWaalsContact C-N 3.28Å; I327-Q329 PolarHBondContact O-N 3.39Å; Q329-R332 CarbonylContact O-C 3.45Å; Q329-R332 WeakPolarHBondContact O-CA 3.27Å; Q329-R332 WeakPolarHBondContact O-CB 3.45Å; Q329-R332 PolarHBondContact O-N 3.04Å; Q329-S333 PolarHBondContact O-N 2.97Å; Q329-S333 PolarHBondContact O-OG 3.31Å
330A61.7Low63.2Low26 Ų2651.5 Ų51.522%0.21527%0.271CS..Hα-helixtrans-68.6-41.7177.100000111.3C326 I327 R332 S333C326-A330 WeakPolarHBondContact O-CA 3.32Å; C326-A330 WeakPolarHBondContact O-CB 3.34Å; C326-A330 PolarHBondContact O-N 3.28Å; I327-A330 PolarHBondContact O-N 2.99Å; A330-R332 PolarHBondContact O-N 3.19Å; A330-S333 WeakPolarHBondContact CA-OG 3.48Å; A330-S333 CarbonylContact O-C 3.59Å; A330-S333 PolarHBondContact O-N 3.47Å; A330-S333 VanDerWaalsContact O-N 3.12Å; A330-S333 PolarHBondContact O-OG 3.31Å
331L59.4Low62.1Low21 Ų2154.1 Ų54.111%0.1129%0.287CS..Hα-helixtrans-63.7-30.2171-69.4167.3000111.1W220 I327 V470 N498W220-L331 HydrophobicContact CH2-CD1 3.96Å; W220-L331 HydrophobicContact CH2-CD2 3.55Å; W220-L331 HydrophobicContact CH2-CG 4.32Å; W220-L331 HydrophobicContact CZ2-CD1 3.76Å; W220-L331 HydrophobicContact CZ2-CD2 3.75Å; W220-L331 HydrophobicContact CZ2-CG 4.42Å; I327-L331 HydrophobicContact CG2-CD1 3.65Å; I327-L331 HydrophobicContact CG2-CG 4.19Å; I327-L331 WeakPolarHBondContact O-CB 3.37Å; I327-L331 WeakPolarHBondContact O-CG 3.29Å; I327-L331 PolarHBondContact O-N 3.43Å; L331-V470 HydrophobicContact CD1-CB 4.3Å; L331-V470 HydrophobicContact CD1-CG1 3.38Å; L331-V470 HydrophobicContact CD1-CG2 3.87Å; L331-N498 PolarHBondContact O-OD1 2.82Å
332R54.3Low61.5Low42 Ų4253.9 Ų53.916%0.15829%0.289CS..Hα-helixtrans-74.3-29.7171.3-70.5172.8-177.2172.24.7115F34 I328 Q329 A330 N334 Y471 N498F34-R332 VanDerWaalsContact CB-NH2 3.3Å; I328-R332 WeakPolarHBondContact O-CB 3.48Å; I328-R332 WeakPolarHBondContact O-CG 3.05Å; I328-R332 PolarHBondContact O-N 2.81Å; Q329-R332 CarbonylContact O-C 3.45Å; Q329-R332 WeakPolarHBondContact O-CA 3.27Å; Q329-R332 WeakPolarHBondContact O-CB 3.45Å; Q329-R332 PolarHBondContact O-N 3.04Å; A330-R332 PolarHBondContact O-N 3.19Å; R332-N334 PolarHBondContact O-N 3.26Å; R332-Y471 PolarHBondContact NH2-OH 3.17Å; R332-N498 WeakPolarHBondContact CA-ND2 3.21Å; R332-N498 WeakPolarHBondContact CA-OD1 3.25Å; R332-N498 WeakPolarHBondContact CB-ND2 3.4Å; R332-N498 WeakPolarHBondContact CG-ND2 3Å; R332-N498 WeakPolarHBondContact CG-OD1 3.32Å; R332-N498 PolarHBondContact O-ND2 3Å; R332-N498 VanDerWaalsContact O-ND2 3.14Å
333S51.4Low61.1Low61 Ų6154.7 Ų54.743%0.42729%0.287SS..SBendtrans-89.8107.3178.763.10000110.4Q329 A330Q329-S333 PolarHBondContact O-N 2.97Å; Q329-S333 PolarHBondContact O-OG 3.31Å; A330-S333 WeakPolarHBondContact CA-OG 3.48Å; A330-S333 CarbonylContact O-C 3.59Å; A330-S333 PolarHBondContact O-N 3.47Å; A330-S333 VanDerWaalsContact O-N 3.12Å; A330-S333 PolarHBondContact O-OG 3.31Å
334N51.5Low60.3Low29 Ų2954.3 Ų54.316%0.15529%0.286CS..  trans-39.5145.3-169.6-140.4-25.6000118.9R332 R336 N519 K520R332-N334 PolarHBondContact O-N 3.26Å; N334-R336 PolarHBondContact O-N 3.38Å; N334-N519 WeakPolarHBondContact CB-O 3.5Å; N334-N519 PolarHBondContact ND2-O 2.92Å; N334-K520 WeakPolarHBondContact ND2-CA 3.36Å; N334-K520 PolarHBondContact ND2-N 3.4Å; N334-K520 PolarHBondContact ND2-O 2.86Å; N334-K520 VanDerWaalsContact ND2-O 3.11Å
335E50Low59.9Low30 Ų3058 Ų5814%0.1431%0.306CS..THydrogen-bonded Turntrans-80.13.2-164.1-80-156.6123.900117.9H340 R495 H496E335-H340 IonicContact OE1-NE2 2.82Å; E335-R495 VanDerWaalsContact CG-O 3.24Å; E335-R495 WeakPolarHBondContact CG-O 3.49Å; E335-R495 WeakPolarHBondContact OE1-CD 3.29Å; E335-R495 WeakPolarHBondContact OE1-CG 3.42Å; E335-R495 IonicContact OE1-CZ 2.68Å; E335-R495 IonicContact OE1-NE 2.87Å; E335-R495 PolarHBondContact OE1-NE 3.28Å; E335-H496 VanDerWaalsContact OE2-CA 3.3Å; E335-H496 WeakPolarHBondContact OE2-CA 3.14Å; E335-H496 IonicContact OE2-CE1 3.24Å; E335-H496 IonicContact OE2-CG 2.79Å; E335-H496 IonicContact OE2-ND1 3.49Å; E335-H496 PolarHBondContact OE2-ND1 3.36Å
336R50.3Low60.1Low172 Ų17262.5 Ų62.565%0.64932%0.322SS*.THydrogen-bonded Turntrans-119.215.1-167.5-67.7-171.2-179.1-179.40.6116.6N334N334-R336 PolarHBondContact O-N 3.38Å
337S50.4Low60.1Low42 Ų4260 Ų6029%0.29431%0.305SS..SBendtrans-100.2151.4170.361.90000110.9I339 H340S337-I339 PolarHBondContact O-N 2.69Å; S337-I339 WeakPolarHBondContact OG-CB 3.37Å; S337-H340 WeakPolarHBondContact O-CB 3.2Å; S337-H340 PolarHBondContact O-N 3.45Å
338F50.9Low60.3Low183 Ų18359.8 Ų59.880%0.80330%0.304SS*.Hα-helixtrans-46.8-31.1166.2174.2-98.8000111.9H340 V341 A342F338-H340 VanDerWaalsContact C-N 3.34Å; F338-H340 PolarHBondContact O-N 2.95Å; F338-V341 PolarHBondContact O-N 3.1Å; F338-A342 WeakPolarHBondContact O-CB 3.23Å; F338-A342 PolarHBondContact O-N 2.84Å
339I61.7Low60.7Low113 Ų11361.9 Ų61.958%0.57932%0.323SS*.Hα-helixtrans-61.2-37.7175.2-54.4170.1000111.6S337 A342 T343S337-I339 PolarHBondContact O-N 2.69Å; S337-I339 WeakPolarHBondContact OG-CB 3.37Å; I339-A342 PolarHBondContact O-N 3.18Å; I339-T343 WeakPolarHBondContact O-CB 3.29Å; I339-T343 PolarHBondContact O-N 3.43Å; I339-T343 PolarHBondContact O-OG1 3.34Å
340H60.4Low61.5Low26 Ų2662 Ų6212%0.1233%0.326CS..Hα-helixtrans-67.2-47.1177.6-177.685.4000111.4E335 S337 F338 A342 T343 T344E335-H340 IonicContact OE1-NE2 2.82Å; S337-H340 WeakPolarHBondContact O-CB 3.2Å; S337-H340 PolarHBondContact O-N 3.45Å; F338-H340 VanDerWaalsContact C-N 3.34Å; F338-H340 PolarHBondContact O-N 2.95Å; H340-A342 VanDerWaalsContact C-N 3.32Å; H340-A342 PolarHBondContact O-N 3.47Å; H340-T343 PolarHBondContact O-N 2.69Å; H340-T344 PolarHBondContact NE2-OG1 3.36Å; H340-T344 WeakPolarHBondContact O-CB 3.45Å; H340-T344 PolarHBondContact O-N 3.39Å; H340-T344 PolarHBondContact O-OG1 3.06Å; H340-T344 VanDerWaalsContact O-OG1 3.05Å
341V58.5Low62.4Low63 Ų6361.4 Ų61.438%0.38232%0.318SS..Hα-helixtrans-61.5-43.5175.6177.90000110.5F338 T344 L345F338-V341 PolarHBondContact O-N 3.1Å; V341-T344 PolarHBondContact O-N 3.41Å; V341-L345 HydrophobicContact CG1-CD1 4.06Å; V341-L345 HydrophobicContact CG1-CG 4.43Å; V341-L345 WeakPolarHBondContact O-CB 3.13Å; V341-L345 VanDerWaalsContact O-CG 3.27Å; V341-L345 WeakPolarHBondContact O-CG 3.28Å; V341-L345 PolarHBondContact O-N 3.46Å
342A62Low63.2Low22 Ų2261.1 Ų61.118%0.18232%0.317CS..Hα-helixtrans-62.1-47.1175.700000111.8F338 I339 H340 T344 L345 F346F338-A342 WeakPolarHBondContact O-CB 3.23Å; F338-A342 PolarHBondContact O-N 2.84Å; I339-A342 PolarHBondContact O-N 3.18Å; H340-A342 VanDerWaalsContact C-N 3.32Å; H340-A342 PolarHBondContact O-N 3.47Å; A342-T344 VanDerWaalsContact C-N 3.31Å; A342-T344 PolarHBondContact O-N 3.3Å; A342-L345 PolarHBondContact O-N 2.95Å; A342-F346 HydrophobicContact CB-CD2 4.41Å; A342-F346 HydrophobicContact CB-CE2 4.31Å; A342-F346 WeakPolarHBondContact O-CB 3.36Å; A342-F346 WeakPolarHBondContact O-CD2 3.34Å; A342-F346 WeakPolarHBondContact O-CG 2.93Å; A342-F346 PolarHBondContact O-N 2.61Å
343T67.4Low64.4Low53 Ų5361.2 Ų61.233%0.32532%0.324SS..Hα-helixtrans-63.7-38.7178.7-56.50000111.1I339 H340 F346 S347I339-T343 WeakPolarHBondContact O-CB 3.29Å; I339-T343 PolarHBondContact O-N 3.43Å; I339-T343 PolarHBondContact O-OG1 3.34Å; H340-T343 PolarHBondContact O-N 2.69Å; T343-F346 PolarHBondContact O-N 2.87Å; T343-S347 VanDerWaalsContact O-CB 3.27Å; T343-S347 WeakPolarHBondContact O-CB 3.43Å; T343-S347 PolarHBondContact O-N 2.92Å; T343-S347 PolarHBondContact O-OG 3.05Å
344T63.8Low65.9Low13 Ų1358.9 Ų58.98%0.0831%0.308CS..Hα-helixtrans-64.7-45.6173.5-72.10000110.9L275 V276 H340 V341 A342 S347 V348L275-T344 HydrophobicContact CB-CG2 3.59Å; L275-T344 HydrophobicContact CD1-CG2 3.74Å; L275-T344 HydrophobicContact CG-CG2 4.3Å; V276-T344 HydrophobicContact CG2-CG2 3.91Å; H340-T344 PolarHBondContact NE2-OG1 3.36Å; H340-T344 WeakPolarHBondContact O-CB 3.45Å; H340-T344 PolarHBondContact O-N 3.39Å; H340-T344 PolarHBondContact O-OG1 3.06Å; H340-T344 VanDerWaalsContact O-OG1 3.05Å; V341-T344 PolarHBondContact O-N 3.41Å; A342-T344 VanDerWaalsContact C-N 3.31Å; A342-T344 PolarHBondContact O-N 3.3Å; T344-S347 PolarHBondContact O-N 2.86Å; T344-V348 HydrophobicContact CG2-CG2 4.49Å; T344-V348 WeakPolarHBondContact O-CB 3.35Å; T344-V348 WeakPolarHBondContact O-CG2 3.31Å; T344-V348 PolarHBondContact O-N 2.98Å
345L65.8Low67.2Low84 Ų8457.5 Ų57.544%0.4430%0.301SS..Hα-helixtrans-62.8-42.6174.5-74.4171.5000112F272 V341 A342 V348 A349F272-L345 HydrophobicContact CD2-CD2 3.76Å; F272-L345 HydrophobicContact CE2-CD2 3.7Å; V341-L345 HydrophobicContact CG1-CD1 4.06Å; V341-L345 HydrophobicContact CG1-CG 4.43Å; V341-L345 WeakPolarHBondContact O-CB 3.13Å; V341-L345 VanDerWaalsContact O-CG 3.27Å; V341-L345 WeakPolarHBondContact O-CG 3.28Å; V341-L345 PolarHBondContact O-N 3.46Å; A342-L345 PolarHBondContact O-N 2.95Å; L345-V348 PolarHBondContact O-N 2.61Å; L345-A349 WeakPolarHBondContact O-CB 3.42Å; L345-A349 PolarHBondContact O-N 3Å
346F73.6Confident68.7Low137 Ų13758.8 Ų58.860%0.60131%0.305SS*.Hα-helixtrans-62.2-43.4173.7-78.5-61.5000111.1A342 T343 A349 I350A342-F346 HydrophobicContact CB-CD2 4.41Å; A342-F346 HydrophobicContact CB-CE2 4.31Å; A342-F346 WeakPolarHBondContact O-CB 3.36Å; A342-F346 WeakPolarHBondContact O-CD2 3.34Å; A342-F346 WeakPolarHBondContact O-CG 2.93Å; A342-F346 PolarHBondContact O-N 2.61Å; T343-F346 PolarHBondContact O-N 2.87Å; F346-A349 PolarHBondContact O-N 3.22Å; F346-I350 HydrophobicContact CB-CD1 4.46Å; F346-I350 VanDerWaalsContact O-CB 3.27Å; F346-I350 WeakPolarHBondContact O-CB 3.42Å; F346-I350 WeakPolarHBondContact O-CD1 3.15Å; F346-I350 WeakPolarHBondContact O-CG1 3.42Å; F346-I350 PolarHBondContact O-N 3.49Å
347S70.6Confident70.1Confident29 Ų2955.8 Ų55.820%0.20330%0.297CS..Hα-helixtrans-64.3-44177.4-58.70000111T343 T344 A349 I350 F351T343-S347 VanDerWaalsContact O-CB 3.27Å; T343-S347 WeakPolarHBondContact O-CB 3.43Å; T343-S347 PolarHBondContact O-N 2.92Å; T343-S347 PolarHBondContact O-OG 3.05Å; T344-S347 PolarHBondContact O-N 2.86Å; S347-A349 PolarHBondContact O-N 3.3Å; S347-I350 PolarHBondContact O-N 3.17Å; S347-F351 VanDerWaalsContact O-CB 3.28Å; S347-F351 WeakPolarHBondContact O-CB 3.21Å; S347-F351 WeakPolarHBondContact O-CD2 3.43Å; S347-F351 WeakPolarHBondContact O-CG 3.42Å; S347-F351 PolarHBondContact O-N 3.31Å
348V72.8Confident71.3Confident11 Ų1153.8 Ų53.87%0.06728%0.283CS..Hα-helixtrans-57.6-49.8173.5171.80000110A268 L271 L275 T344 L345 T352A268-V348 HydrophobicContact CB-CG1 4.15Å; L271-V348 HydrophobicContact CB-CG2 4.36Å; L271-V348 HydrophobicContact CD2-CB 4.18Å; L271-V348 HydrophobicContact CD2-CG1 4.34Å; L271-V348 HydrophobicContact CD2-CG2 3.77Å; L271-V348 HydrophobicContact CG-CG2 3.8Å; L275-V348 HydrophobicContact CD1-CG2 4.12Å; T344-V348 HydrophobicContact CG2-CG2 4.49Å; T344-V348 WeakPolarHBondContact O-CB 3.35Å; T344-V348 WeakPolarHBondContact O-CG2 3.31Å; T344-V348 PolarHBondContact O-N 2.98Å; L345-V348 PolarHBondContact O-N 2.61Å; V348-T352 HydrophobicContact CG1-CG2 4.33Å; V348-T352 VanDerWaalsContact O-CB 3.27Å; V348-T352 WeakPolarHBondContact O-CB 3.32Å; V348-T352 VanDerWaalsContact O-CG2 3.23Å; V348-T352 WeakPolarHBondContact O-CG2 3.42Å; V348-T352 PolarHBondContact O-N 3.33Å; V348-T352 PolarHBondContact O-OG1 3Å
349A75.7Confident72.6Confident52 Ų5245.5 Ų45.543%0.4325%0.247SC..Hα-helixtrans-63-47.6179.800000111.9L345 F346 S347 T352 S353L345-A349 WeakPolarHBondContact O-CB 3.42Å; L345-A349 PolarHBondContact O-N 3Å; F346-A349 PolarHBondContact O-N 3.22Å; S347-A349 PolarHBondContact O-N 3.3Å; A349-T352 PolarHBondContact O-OG1 3.33Å; A349-S353 WeakPolarHBondContact O-CB 3.44Å; A349-S353 PolarHBondContact O-N 3.49Å; A349-S353 PolarHBondContact O-OG 3.39Å
350I79.7Confident73.3Confident93 Ų9343.5 Ų43.548%0.47723%0.232SC..Hα-helixtrans-61.2-51179.1-71164.5000109.9F346 S347 S353 A354F346-I350 HydrophobicContact CB-CD1 4.46Å; F346-I350 VanDerWaalsContact O-CB 3.27Å; F346-I350 WeakPolarHBondContact O-CB 3.42Å; F346-I350 WeakPolarHBondContact O-CD1 3.15Å; F346-I350 WeakPolarHBondContact O-CG1 3.42Å; F346-I350 PolarHBondContact O-N 3.49Å; S347-I350 PolarHBondContact O-N 3.17Å; I350-S353 PolarHBondContact O-OG 3.08Å; I350-A354 WeakPolarHBondContact O-CB 3.38Å; I350-A354 PolarHBondContact O-N 2.95Å
351F80.3Confident73.8Confident14 Ų1442.5 Ų42.56%0.06123%0.228CC..Hα-helixtrans-68.5-46.1-175.4-61.3-30.8000112.1T202 L206 L271 E323 I327 S347 A354 I355T202-F351 HydrophobicContact CG2-CB 3.61Å; T202-F351 HydrophobicContact CG2-CD1 3.69Å; T202-F351 HydrophobicContact CG2-CG 3.93Å; L206-F351 HydrophobicContact CD1-CB 4.13Å; L206-F351 HydrophobicContact CD2-CD2 3.79Å; L206-F351 HydrophobicContact CD2-CE2 4.13Å; L206-F351 HydrophobicContact CD2-CG 4.34Å; L271-F351 HydrophobicContact CD2-CD2 4.35Å; E323-F351 HydrophobicContact CB-CE1 4.13Å; E323-F351 VanDerWaalsContact CD-CE1 3.48Å; E323-F351 HydrophobicContact CG-CE1 3.79Å; I327-F351 HydrophobicContact CD1-CE2 4.15Å; I327-F351 HydrophobicContact CD1-CZ 3.99Å; I327-F351 HydrophobicContact CG1-CE2 4.27Å; I327-F351 HydrophobicContact CG1-CZ 4Å; S347-F351 VanDerWaalsContact O-CB 3.28Å; S347-F351 WeakPolarHBondContact O-CB 3.21Å; S347-F351 WeakPolarHBondContact O-CD2 3.43Å; S347-F351 WeakPolarHBondContact O-CG 3.42Å; S347-F351 PolarHBondContact O-N 3.31Å; F351-A354 PolarHBondContact O-N 3.42Å; F351-I355 WeakPolarHBondContact O-CB 3.07Å; F351-I355 WeakPolarHBondContact O-CG1 3.39Å; F351-I355 PolarHBondContact O-N 2.81Å
352T77Confident74.2Confident15 Ų1541 Ų419%0.09222%0.218CC..Hα-helixtrans-68.6-37.9-179.658.90000111.6A268 V348 A349 I355 W356A268-T352 HydrophobicContact CB-CG2 3.88Å; V348-T352 HydrophobicContact CG1-CG2 4.33Å; V348-T352 VanDerWaalsContact O-CB 3.27Å; V348-T352 WeakPolarHBondContact O-CB 3.32Å; V348-T352 VanDerWaalsContact O-CG2 3.23Å; V348-T352 WeakPolarHBondContact O-CG2 3.42Å; V348-T352 PolarHBondContact O-N 3.33Å; V348-T352 PolarHBondContact O-OG1 3Å; A349-T352 PolarHBondContact O-OG1 3.33Å; T352-I355 PolarHBondContact O-N 3.49Å; T352-W356 WeakPolarHBondContact O-CB 3.49Å; T352-W356 PolarHBondContact O-N 3.11Å
353S79.8Confident74.6Confident44 Ų4447.3 Ų47.331%0.30824%0.237SC..Hα-helixtrans-66.4-44173.6670000111.8A349 I350 I355 W356 F357A349-S353 WeakPolarHBondContact O-CB 3.44Å; A349-S353 PolarHBondContact O-N 3.49Å; A349-S353 PolarHBondContact O-OG 3.39Å; I350-S353 PolarHBondContact O-OG 3.08Å; S353-I355 VanDerWaalsContact C-N 3.31Å; S353-I355 PolarHBondContact O-N 3.46Å; S353-W356 PolarHBondContact O-N 3.2Å; S353-F357 VanDerWaalsContact O-CB 3.3Å; S353-F357 WeakPolarHBondContact O-CB 3.38Å; S353-F357 WeakPolarHBondContact O-CD2 3.43Å; S353-F357 PolarHBondContact O-N 3.04Å
354A81.5Confident74.5Confident11 Ų1149.5 Ų49.59%0.09125%0.246CC..Hα-helixtrans-56.3-45.5174.900000111.7V198 G199 T202 I350 F351 G358V198-A354 HydrophobicContact CG1-CB 4.01Å; G199-A354 VanDerWaalsContact CA-O 3.26Å; G199-A354 WeakPolarHBondContact CA-O 3.49Å; T202-A354 HydrophobicContact CG2-CB 4.37Å; T202-A354 WeakPolarHBondContact OG1-CB 3.43Å; I350-A354 WeakPolarHBondContact O-CB 3.38Å; I350-A354 PolarHBondContact O-N 2.95Å; F351-A354 PolarHBondContact O-N 3.42Å; A354-G358 PolarHBondContact O-N 2.84Å
355I80.2Confident74.5Confident1 Ų154.3 Ų54.31%0.00527%0.266CS..Hα-helixtrans-63.6-43.6177.1-68.6172.1000111.4T202 I203 L206 Y292 L293 M296 Y300 F351 T352 S353 L359T202-I355 HydrophobicContact CG2-CD1 4.14Å; T202-I355 HydrophobicContact CG2-CG1 4Å; I203-I355 HydrophobicContact CD1-CG1 4.38Å; I203-I355 HydrophobicContact CD1-CG2 4.07Å; I203-I355 HydrophobicContact CG1-CD1 3.8Å; I203-I355 HydrophobicContact CG1-CG1 3.64Å; I203-I355 HydrophobicContact CG1-CG2 4.26Å; L206-I355 HydrophobicContact CD1-CD1 3.85Å; Y292-I355 HydrophobicContact CE1-CD1 4.48Å; Y292-I355 HydrophobicContact CE1-CG2 4.34Å; Y292-I355 WeakPolarHBondContact OH-CG2 3.19Å; L293-I355 HydrophobicContact CD2-CD1 3.79Å; M296-I355 HydrophobicContact CG-CG2 4.25Å; Y300-I355 HydrophobicContact CE2-CG2 4.1Å; Y300-I355 VanDerWaalsContact OH-C 3.23Å; Y300-I355 VanDerWaalsContact OH-CA 3.24Å; Y300-I355 WeakPolarHBondContact OH-CA 3.11Å; Y300-I355 PolarHBondContact OH-O 3.1Å; F351-I355 WeakPolarHBondContact O-CB 3.07Å; F351-I355 WeakPolarHBondContact O-CG1 3.39Å; F351-I355 PolarHBondContact O-N 2.81Å; T352-I355 PolarHBondContact O-N 3.49Å; S353-I355 VanDerWaalsContact C-N 3.31Å; S353-I355 PolarHBondContact O-N 3.46Å; I355-L359 PolarHBondContact O-N 2.83Å
356W80.7Confident74.1Confident57 Ų5753.2 Ų53.222%0.21626%0.264CS..Hα-helixtrans-73.5-45.5-177.5-165.777.5000111.8L264 T352 S353 G358 L359 Y360L264-W356 HydrophobicContact CD1-CB 3.84Å; L264-W356 HydrophobicContact CD1-CG 4.23Å; L264-W356 HydrophobicContact CD2-CB 3.9Å; L264-W356 HydrophobicContact CD2-CD2 4.16Å; L264-W356 HydrophobicContact CD2-CG 3.69Å; L264-W356 HydrophobicContact CG-CB 4.46Å; L264-W356 HydrophobicContact CG-CG 4.42Å; T352-W356 WeakPolarHBondContact O-CB 3.49Å; T352-W356 PolarHBondContact O-N 3.11Å; S353-W356 PolarHBondContact O-N 3.2Å; W356-G358 PolarHBondContact O-N 2.95Å; W356-L359 PolarHBondContact O-N 3.36Å; W356-Y360 HydrophobicContact CE3-CG 4.2Å; W356-Y360 HydrophobicContact CH2-CD1 4.06Å; W356-Y360 AromaticContact CH2-CD2 3.4Å; W356-Y360 HydrophobicContact CH2-CD2 3.4Å; W356-Y360 VanDerWaalsContact CH2-CD2 3.4Å; W356-Y360 HydrophobicContact CH2-CE1 4.23Å; W356-Y360 AromaticContact CH2-CE2 3.61Å; W356-Y360 HydrophobicContact CH2-CE2 3.61Å; W356-Y360 AromaticContact CH2-CG 3.65Å; W356-Y360 HydrophobicContact CH2-CG 3.65Å; W356-Y360 AromaticContact CZ2-CD2 3.44Å; W356-Y360 HydrophobicContact CZ2-CD2 3.44Å; W356-Y360 VanDerWaalsContact CZ2-CD2 3.44Å; W356-Y360 AromaticContact CZ2-CE2 3.85Å; W356-Y360 HydrophobicContact CZ2-CE2 3.85Å; W356-Y360 AromaticContact CZ2-CG 3.99Å; W356-Y360 HydrophobicContact CZ2-CG 3.99Å; W356-Y360 AromaticContact CZ3-CD1 3.98Å; W356-Y360 HydrophobicContact CZ3-CD1 3.98Å; W356-Y360 HydrophobicContact CZ3-CD2 4.02Å; W356-Y360 HydrophobicContact CZ3-CE1 4.42Å; W356-Y360 HydrophobicContact CZ3-CE2 4.47Å; W356-Y360 AromaticContact CZ3-CG 3.75Å; W356-Y360 HydrophobicContact CZ3-CG 3.75Å; W356-Y360 WeakPolarHBondContact O-CB 3.43Å; W356-Y360 PolarHBondContact O-N 3.45Å
357F80Confident73.3Confident108 Ų10848.1 Ų48.147%0.47424%0.243SC..Hα-helixtrans-59.5-44.9176.3-79.2-63.4000111.2S353 L359 Y360 V361S353-F357 VanDerWaalsContact O-CB 3.3Å; S353-F357 WeakPolarHBondContact O-CB 3.38Å; S353-F357 WeakPolarHBondContact O-CD2 3.43Å; S353-F357 PolarHBondContact O-N 3.04Å; F357-L359 PolarHBondContact O-N 3.03Å; F357-Y360 PolarHBondContact O-N 3.32Å; F357-V361 WeakPolarHBondContact O-CB 2.97Å; F357-V361 WeakPolarHBondContact O-CG2 3.3Å; F357-V361 PolarHBondContact O-N 3.39Å
358G75Confident71.9Confident0 Ų053.7 Ų53.70%027%0.266CS..Hα-helixtrans-57.5-31.9177.800000114.1M195 Y300 A354 W356M195-G358 WeakPolarHBondContact O-CA 3.32Å; Y300-G358 WeakPolarHBondContact OH-CA 3.22Å; A354-G358 PolarHBondContact O-N 2.84Å; W356-G358 PolarHBondContact O-N 2.95Å
359L77.2Confident70.4Confident9 Ų956.7 Ų56.75%0.04730%0.298CS..Hα-helixtrans-91.2-41.2176.1-71.9174.3000113.9M296 H299 Y300 V303 I355 W356 F357 V361 N362M296-L359 HydrophobicContact CB-CD1 4.33Å; M296-L359 HydrophobicContact CG-CD1 4.3Å; M296-L359 HydrophobicContact SD-CD1 3.33Å; M296-L359 WeakPolarHBondContact SD-CD1 3.2Å; H299-L359 HydrophobicContact CB-CD2 3.8Å; Y300-L359 HydrophobicContact CD1-CD2 4.44Å; Y300-L359 HydrophobicContact CD2-CD1 3.8Å; Y300-L359 HydrophobicContact CD2-CD2 3.57Å; Y300-L359 HydrophobicContact CD2-CG 3.69Å; Y300-L359 HydrophobicContact CE1-CD2 4.49Å; Y300-L359 HydrophobicContact CE1-CG 4.48Å; Y300-L359 HydrophobicContact CE2-CD1 3.44Å; Y300-L359 VanDerWaalsContact CE2-CD1 3.44Å; Y300-L359 HydrophobicContact CE2-CD2 3.66Å; Y300-L359 HydrophobicContact CE2-CG 3.24Å; Y300-L359 HydrophobicContact CG-CD2 4Å; Y300-L359 HydrophobicContact CG-CG 4.49Å; V303-L359 HydrophobicContact CG2-CD2 4.37Å; I355-L359 PolarHBondContact O-N 2.83Å; W356-L359 PolarHBondContact O-N 3.36Å; F357-L359 PolarHBondContact O-N 3.03Å; L359-V361 PolarHBondContact O-N 3.19Å; L359-N362 VanDerWaalsContact O-CB 3.3Å; L359-N362 WeakPolarHBondContact O-CB 3.3Å; L359-N362 PolarHBondContact O-N 2.92Å; L359-N362 VanDerWaalsContact O-N 3.08Å
360Y76.8Confident69.1Low71 Ų7156.1 Ų56.128%0.27829%0.287SS..Hα-helixtrans-60.8-33-175.6-178.3-104.8000111.4W356 F357 N362 R363 L364W356-Y360 HydrophobicContact CE3-CG 4.2Å; W356-Y360 HydrophobicContact CH2-CD1 4.06Å; W356-Y360 AromaticContact CH2-CD2 3.4Å; W356-Y360 HydrophobicContact CH2-CD2 3.4Å; W356-Y360 VanDerWaalsContact CH2-CD2 3.4Å; W356-Y360 HydrophobicContact CH2-CE1 4.23Å; W356-Y360 AromaticContact CH2-CE2 3.61Å; W356-Y360 HydrophobicContact CH2-CE2 3.61Å; W356-Y360 AromaticContact CH2-CG 3.65Å; W356-Y360 HydrophobicContact CH2-CG 3.65Å; W356-Y360 AromaticContact CZ2-CD2 3.44Å; W356-Y360 HydrophobicContact CZ2-CD2 3.44Å; W356-Y360 VanDerWaalsContact CZ2-CD2 3.44Å; W356-Y360 AromaticContact CZ2-CE2 3.85Å; W356-Y360 HydrophobicContact CZ2-CE2 3.85Å; W356-Y360 AromaticContact CZ2-CG 3.99Å; W356-Y360 HydrophobicContact CZ2-CG 3.99Å; W356-Y360 AromaticContact CZ3-CD1 3.98Å; W356-Y360 HydrophobicContact CZ3-CD1 3.98Å; W356-Y360 HydrophobicContact CZ3-CD2 4.02Å; W356-Y360 HydrophobicContact CZ3-CE1 4.42Å; W356-Y360 HydrophobicContact CZ3-CE2 4.47Å; W356-Y360 AromaticContact CZ3-CG 3.75Å; W356-Y360 HydrophobicContact CZ3-CG 3.75Å; W356-Y360 WeakPolarHBondContact O-CB 3.43Å; W356-Y360 PolarHBondContact O-N 3.45Å; F357-Y360 PolarHBondContact O-N 3.32Å; Y360-N362 PolarHBondContact O-N 2.85Å; Y360-R363 WeakPolarHBondContact O-CA 3.32Å; Y360-R363 WeakPolarHBondContact O-CB 3.34Å; Y360-R363 PolarHBondContact O-N 3.15Å; Y360-L364 HydrophobicContact CD1-CD1 3.89Å; Y360-L364 HydrophobicContact CD1-CG 4.06Å; Y360-L364 HydrophobicContact CE1-CD1 3.59Å; Y360-L364 HydrophobicContact CE1-CD2 3.92Å; Y360-L364 HydrophobicContact CE1-CG 3.65Å; Y360-L364 PolarHBondContact O-N 3.36Å
361V72Confident67.4Low6 Ų661.7 Ų61.74%0.03631%0.307CS..Hα-helixtrans-64.7-26.3179.8175.80000112.5P192 M195 F357 L359 R363 L364 F365P192-V361 HydrophobicContact CB-CG1 4.36Å; P192-V361 HydrophobicContact CG-CB 4.37Å; P192-V361 HydrophobicContact CG-CG1 2.96Å; M195-V361 HydrophobicContact CB-CG2 4.43Å; M195-V361 HydrophobicContact SD-CB 4.47Å; M195-V361 HydrophobicContact SD-CG1 4.25Å; M195-V361 HydrophobicContact SD-CG2 3.48Å; M195-V361 WeakPolarHBondContact SD-CG2 3.19Å; F357-V361 WeakPolarHBondContact O-CB 2.97Å; F357-V361 WeakPolarHBondContact O-CG2 3.3Å; F357-V361 PolarHBondContact O-N 3.39Å; L359-V361 PolarHBondContact O-N 3.19Å; V361-R363 PolarHBondContact O-N 3.29Å; V361-L364 PolarHBondContact O-N 3.42Å; V361-F365 HydrophobicContact CG1-CD2 3.81Å; V361-F365 HydrophobicContact CG1-CE2 4.18Å; V361-F365 WeakPolarHBondContact O-CD2 3.38Å; V361-F365 PolarHBondContact O-N 3.5Å
362N66.7Low66.2Low31 Ų3166.1 Ų66.117%0.16632%0.324CS..Hα-helixtrans-68.7-19.7170-171.333.1000113.1V303 L359 Y360 F365 P366 I367V303-N362 HydrophobicContact CG1-CB 4.48Å; V303-N362 HydrophobicContact CG2-CB 3.93Å; V303-N362 WeakPolarHBondContact CG2-ND2 3.26Å; L359-N362 VanDerWaalsContact O-CB 3.3Å; L359-N362 WeakPolarHBondContact O-CB 3.3Å; L359-N362 PolarHBondContact O-N 2.92Å; L359-N362 VanDerWaalsContact O-N 3.08Å; Y360-N362 PolarHBondContact O-N 2.85Å; N362-F365 CarbonylContact O-C 3.46Å; N362-P366 WeakPolarHBondContact O-CA 3.24Å; N362-I367 WeakPolarHBondContact OD1-CD1 3.49Å; N362-I367 WeakPolarHBondContact OD1-CG1 3.49Å
363R69.4Low65.4Low154 Ų15467.1 Ų67.158%0.58133%0.327SS*.Hα-helixtrans-82.6-35.5173.2-167.2177.2179.8171-0.4111.9Y360 V361 P366Y360-R363 WeakPolarHBondContact O-CA 3.32Å; Y360-R363 WeakPolarHBondContact O-CB 3.34Å; Y360-R363 PolarHBondContact O-N 3.15Å; V361-R363 PolarHBondContact O-N 3.29Å; R363-P366 WeakPolarHBondContact O-CD 3.44Å
364L65.2Low64.4Low99 Ų9965.6 Ų65.652%0.51832%0.316SS..Hα-helixtrans-74.7-34.8176.8-68.3178.1000112.8Y360 V361 P366Y360-L364 HydrophobicContact CD1-CD1 3.89Å; Y360-L364 HydrophobicContact CD1-CG 4.06Å; Y360-L364 HydrophobicContact CE1-CD1 3.59Å; Y360-L364 HydrophobicContact CE1-CD2 3.92Å; Y360-L364 HydrophobicContact CE1-CG 3.65Å; Y360-L364 PolarHBondContact O-N 3.36Å; V361-L364 PolarHBondContact O-N 3.42Å; L364-P366 WeakPolarHBondContact O-CD 3.39Å
365F64.1Low63.3Low115 Ų11565.2 Ų65.250%0.50431%0.312SS..SBendtrans-113.270.4170.9-58-84.3000108P192 V361 N362 I367P192-F365 HydrophobicContact CG-CD2 4.1Å; P192-F365 HydrophobicContact CG-CE2 4.19Å; V361-F365 HydrophobicContact CG1-CD2 3.81Å; V361-F365 HydrophobicContact CG1-CE2 4.18Å; V361-F365 WeakPolarHBondContact O-CD2 3.38Å; V361-F365 PolarHBondContact O-N 3.5Å; N362-F365 CarbonylContact O-C 3.46Å; F365-I367 PolarHBondContact O-N 2.96Å
366P58.1Low62.3Low60 Ų6066.1 Ų66.139%0.3932%0.316SS..  trans-53.8135.2174.5-1.98.2000107.1N362 R363 L364 H368N362-P366 WeakPolarHBondContact O-CA 3.24Å; R363-P366 WeakPolarHBondContact O-CD 3.44Å; L364-P366 WeakPolarHBondContact O-CD 3.39Å; P366-H368 VanDerWaalsContact CG-CE1 3.4Å; P366-H368 WeakPolarHBondContact CG-CE1 3.47Å; P366-H368 PolarHBondContact O-N 3.28Å; P366-H368 PolarHBondContact O-ND1 3.05Å
367I56.7Low61.3Low30 Ų3065.1 Ų65.115%0.15432%0.315CS..  trans-68.179.8174.1-57.5161.1000106.4H306 N362 F365 G369 H370H306-I367 HydrophobicContact CB-CD1 4.05Å; H306-I367 WeakPolarHBondContact CD2-CD1 3.33Å; N362-I367 WeakPolarHBondContact OD1-CD1 3.49Å; N362-I367 WeakPolarHBondContact OD1-CG1 3.49Å; F365-I367 PolarHBondContact O-N 2.96Å; I367-G369 PolarHBondContact O-N 3.46Å; I367-H370 HydrophobicContact CG2-CB 4.2Å; I367-H370 PolarHBondContact O-N 3Å
368H40.7Very low60Low147 Ų14765.3 Ų65.368%0.68132%0.318SS*.THydrogen-bonded Turntrans-62.3123.5-177.2-74.782.3000107.9P366P366-H368 VanDerWaalsContact CG-CE1 3.4Å; P366-H368 WeakPolarHBondContact CG-CE1 3.47Å; P366-H368 PolarHBondContact O-N 3.28Å; P366-H368 PolarHBondContact O-ND1 3.05Å
369G42.4Very low58.6Low73 Ų7371.3 Ų71.375%0.75335%0.349SS*.THydrogen-bonded Turntrans108-10.5-176.300000114.8I367I367-G369 PolarHBondContact O-N 3.46Å
370H48.6Very low57.2Low40 Ų4073.9 Ų73.919%0.18537%0.365CS..  trans-127.297.1173.8-83.513.7000111.1Y122 I367 R372Y122-H370 AromaticContact CE2-NE2 3.84Å; Y122-H370 AromaticContact CZ-CD2 3.79Å; Y122-H370 AromaticContact CZ-NE2 3.5Å; Y122-H370 PolarHBondContact OH-CD2 3Å; Y122-H370 PolarHBondContact OH-NE2 3.27Å; I367-H370 HydrophobicContact CG2-CB 4.2Å; I367-H370 PolarHBondContact O-N 3Å; H370-R372 HydrophobicContact CB-CB 4.07Å; H370-R372 HydrophobicContact CB-CG 4.26Å; H370-R372 PolarHBondContact O-N 2.98Å
371K43.1Very low55.8Low210 Ų21075.9 Ų75.991%0.91339%0.387SS*.  trans-6224.7162.3-64.9-173.7177.5-177.40113.1
372R54.9Low54.7Low107 Ų10778.2 Ų78.240%0.40441%0.406SS..  trans-125.793.3-148.5-58.9-179.7-178.6169.1-0.2111.5H370 I374 N377H370-R372 HydrophobicContact CB-CB 4.07Å; H370-R372 HydrophobicContact CB-CG 4.26Å; H370-R372 PolarHBondContact O-N 2.98Å; R372-I374 PolarHBondContact O-N 3.19Å; R372-N377 VanDerWaalsContact CB-ND2 3.33Å; R372-N377 WeakPolarHBondContact CB-ND2 3.37Å; R372-N377 WeakPolarHBondContact CG-ND2 3.44Å
373H59.7Low54Low37 Ų3777 Ų7717%0.17140%0.401CS..  trans-81.3109.1170.5-164.5-83.5000110.3H299 N302 A375 F376 N377H299-H373 AromaticContact CE1-CE1 3.71Å; H299-H373 AromaticContact CE1-NE2 3.29Å; H299-H373 PolarHBondContact CE1-NE2 3.46Å; H299-H373 VanDerWaalsContact CE1-NE2 3.29Å; H299-H373 AromaticContact CG-NE2 3.94Å; H299-H373 AromaticContact ND1-CD2 3.91Å; H299-H373 AromaticContact ND1-CE1 3.68Å; H299-H373 AromaticContact ND1-NE2 2.93Å; H299-H373 PolarHBondContact ND1-NE2 2.84Å; N302-H373 PolarHBondContact ND2-CD2 2.67Å; H373-A375 VanDerWaalsContact C-N 3.27Å; H373-A375 PolarHBondContact O-N 3.47Å; H373-F376 AromaticContact CE1-CD2 3.4Å; H373-F376 WeakPolarHBondContact CE1-CD2 3.45Å; H373-F376 AromaticContact CE1-CE2 3.38Å; H373-F376 WeakPolarHBondContact CE1-CE2 3.47Å; H373-F376 AromaticContact CG-CD2 3.86Å; H373-F376 AromaticContact ND1-CD2 3.09Å; H373-F376 WeakPolarHBondContact ND1-CD2 3.41Å; H373-F376 AromaticContact ND1-CE2 3.61Å; H373-F376 AromaticContact ND1-CG 3.73Å; H373-F376 PolarHBondContact O-N 2.91Å; H373-N377 WeakPolarHBondContact O-CB 3.22Å; H373-N377 PolarHBondContact O-N 3.39Å
374I58.5Low53.1Low12 Ų1276.6 Ų76.66%0.06240%0.404CS..THydrogen-bonded Turntrans-53.7-42.4-172.3-65.7169.4000112.5Y122 K125 K126 N302 S305 R372 F376Y122-I374 HydrophobicContact CD1-CD1 4.34Å; Y122-I374 HydrophobicContact CD1-CG1 3.94Å; Y122-I374 HydrophobicContact CE1-CD1 4.05Å; Y122-I374 HydrophobicContact CE1-CG1 3.93Å; K125-I374 HydrophobicContact CB-CG2 4.06Å; K125-I374 HydrophobicContact CD-CD1 4.48Å; K126-I374 HydrophobicContact CB-CG2 4.48Å; K126-I374 WeakPolarHBondContact CG-O 3.42Å; N302-I374 WeakPolarHBondContact OD1-CB 3.2Å; N302-I374 WeakPolarHBondContact OD1-CG1 3.14Å; N302-I374 PolarHBondContact OD1-N 3.08Å; S305-I374 VanDerWaalsContact CB-CD1 3.49Å; S305-I374 WeakPolarHBondContact OG-CD1 3.02Å; R372-I374 PolarHBondContact O-N 3.19Å; I374-F376 PolarHBondContact O-N 3.14Å
375A58.6Low52.6Low2 Ų274.8 Ų74.82%0.01740%0.403CS..THydrogen-bonded Turntrans-64.8-26.7-17800000113.4F129 W130 P298 H373F129-A375 HydrophobicContact CD1-CB 3.78Å; F129-A375 HydrophobicContact CE1-CB 3.47Å; F129-A375 VanDerWaalsContact CE1-CB 3.47Å; F129-A375 HydrophobicContact CZ-CB 4.22Å; W130-A375 PolarHBondContact NE1-O 2.74Å; W130-A375 VanDerWaalsContact NE1-O 3.13Å; P298-A375 HydrophobicContact CB-CB 4.25Å; H373-A375 VanDerWaalsContact C-N 3.27Å; H373-A375 PolarHBondContact O-N 3.47Å
376F60Low52.8Low20 Ų2069.3 Ų69.39%0.08838%0.379CS..THydrogen-bonded Turntrans-126.51.3-166.5-53.4-44.3000114.6W130 S252 W253 P298 H299 H373 I374W130-F376 AromaticContact CZ2-CE1 3.96Å; W130-F376 HydrophobicContact CZ2-CE1 3.96Å; S252-F376 WeakPolarHBondContact O-CE2 3.49Å; S252-F376 WeakPolarHBondContact O-CZ 2.83Å; S252-F376 WeakPolarHBondContact OG-CZ 3.33Å; W253-F376 AromaticContact CD1-CD1 3.25Å; W253-F376 AromaticContact CD1-CE1 3.04Å; W253-F376 AromaticContact CD1-CZ 3.68Å; W253-F376 HydrophobicContact CG-CE1 4.25Å; W253-F376 AromaticContact NE1-CD1 3.32Å; W253-F376 VanDerWaalsContact NE1-CD1 3.32Å; W253-F376 AromaticContact NE1-CE1 3.11Å; P298-F376 HydrophobicContact CB-CZ 3.95Å; H299-F376 AromaticContact CE1-CE2 3.75Å; H299-F376 AromaticContact NE2-CE2 3.85Å; H373-F376 AromaticContact CE1-CD2 3.4Å; H373-F376 WeakPolarHBondContact CE1-CD2 3.45Å; H373-F376 AromaticContact CE1-CE2 3.38Å; H373-F376 WeakPolarHBondContact CE1-CE2 3.47Å; H373-F376 AromaticContact CG-CD2 3.86Å; H373-F376 AromaticContact ND1-CD2 3.09Å; H373-F376 WeakPolarHBondContact ND1-CD2 3.41Å; H373-F376 AromaticContact ND1-CE2 3.61Å; H373-F376 AromaticContact ND1-CG 3.73Å; H373-F376 PolarHBondContact O-N 2.91Å; I374-F376 PolarHBondContact O-N 3.14Å
377N59Low53.6Low37 Ų3770.8 Ų70.820%0.19838%0.383CS..  trans-72.8142.9-171.6-145.7-0.3000113.4K126 R372 H373 L379K126-N377 PolarHBondContact NZ-O 2.88Å; K126-N377 VanDerWaalsContact NZ-O 3.15Å; R372-N377 VanDerWaalsContact CB-ND2 3.33Å; R372-N377 WeakPolarHBondContact CB-ND2 3.37Å; R372-N377 WeakPolarHBondContact CG-ND2 3.44Å; H373-N377 WeakPolarHBondContact O-CB 3.22Å; H373-N377 PolarHBondContact O-N 3.39Å; N377-L379 WeakPolarHBondContact OD1-CD1 3.46Å
378E53Low54.8Low112 Ų11272.8 Ų72.852%0.52339%0.391SS..  trans-115.63.7-171-67.2176.6-170.800113.5K384 K388E378-K384 WeakPolarHBondContact O-CE 3.19Å; E378-K384 WeakPolarHBondContact O-CG 3.33Å; E378-K388 IonicContact OE1-NZ 3.46Å; E378-K388 PolarHBondContact OE1-NZ 3.04Å
379L45.8Very low56.9Low125 Ų12572.7 Ų72.765%0.65438%0.384SS*.  trans-88.5-23.6-161.1-76.8159.8000116.4N377N377-L379 WeakPolarHBondContact OD1-CD1 3.46Å
380T47.8Very low59Low64 Ų6471.6 Ų71.639%0.39336%0.36SS..SBendtrans-100.1143.3175.960.80000110.4A382 A383 K384T380-A382 PolarHBondContact O-N 3.09Å; T380-A382 VanDerWaalsContact O-N 3.16Å; T380-A383 CarbonylContact O-C 3.58Å; T380-A383 WeakPolarHBondContact O-CA 3.14Å; T380-A383 PolarHBondContact O-N 3.44Å; T380-A383 WeakPolarHBondContact OG1-CB 3.05Å; T380-A383 PolarHBondContact OG1-N 3.41Å; T380-K384 PolarHBondContact O-N 3.11Å
381P48.5Very low60.8Low113 Ų11369.7 Ų69.773%0.73435%0.351SS*.Hα-helixtrans-53.2-36.8175.1-23.731.7000112.2K384 A385P381-K384 WeakPolarHBondContact O-CB 3.43Å; P381-K384 PolarHBondContact O-N 2.92Å; P381-A385 PolarHBondContact O-N 2.83Å
382A48.9Very low63.1Low54 Ų5462 Ų6245%0.44632%0.316SS..Hα-helixtrans-70.4-29.9174.400000113.9A123 T380 A385A123-A382 HydrophobicContact CB-CB 3.75Å; T380-A382 PolarHBondContact O-N 3.09Å; T380-A382 VanDerWaalsContact O-N 3.16Å; A382-A385 VanDerWaalsContact O-CB 3.29Å; A382-A385 WeakPolarHBondContact O-CB 3.46Å
383A50.6Low64.9Low7 Ų763 Ų636%0.05832%0.32CS..Hα-helixtrans-83.1-24.6172.500000113.1K126 T380 A385 L386K126-A383 HydrophobicContact CD-CB 4.43Å; K126-A383 PolarHBondContact NZ-O 3.06Å; T380-A383 CarbonylContact O-C 3.58Å; T380-A383 WeakPolarHBondContact O-CA 3.14Å; T380-A383 PolarHBondContact O-N 3.44Å; T380-A383 WeakPolarHBondContact OG1-CB 3.05Å; T380-A383 PolarHBondContact OG1-N 3.41Å; A383-A385 PolarHBondContact O-N 2.92Å; A383-L386 PolarHBondContact O-N 3.3Å
384K52.1Low66.5Low145 Ų14564.6 Ų64.663%0.6333%0.325SS*.Hα-helixtrans-64.9-24.3166.7-72.2-173.5177.8-175.20111.8E378 T380 P381 L386E378-K384 WeakPolarHBondContact O-CE 3.19Å; E378-K384 WeakPolarHBondContact O-CG 3.33Å; T380-K384 PolarHBondContact O-N 3.11Å; P381-K384 WeakPolarHBondContact O-CB 3.43Å; P381-K384 PolarHBondContact O-N 2.92Å; K384-L386 PolarHBondContact O-N 3.01Å
385A53.7Low68.2Low60 Ų6064 Ų6450%0.49632%0.322SS..THydrogen-bonded Turntrans-60.1-30.6177.500000113F127 P381 A382 A383F127-A385 HydrophobicContact CZ-CB 4.37Å; P381-A385 PolarHBondContact O-N 2.83Å; A382-A385 VanDerWaalsContact O-CB 3.29Å; A382-A385 WeakPolarHBondContact O-CB 3.46Å; A383-A385 PolarHBondContact O-N 2.92Å
386L68.2Low70Confident1 Ų167.3 Ų67.31%0.00534%0.339CS..SBendtrans-100.388.5173.5-164.978.1000109.9L8 K126 F127 W130 A383 K384 I391L8-L386 HydrophobicContact CB-CD1 4.14Å; L8-L386 HydrophobicContact CD1-CD1 3.91Å; L8-L386 HydrophobicContact CD1-CD2 4.21Å; L8-L386 HydrophobicContact CD2-CD1 3.68Å; L8-L386 HydrophobicContact CG-CD1 4.12Å; K126-L386 HydrophobicContact CD-CB 4.46Å; K126-L386 HydrophobicContact CD-CD2 4.43Å; K126-L386 WeakPolarHBondContact CE-O 3.23Å; K126-L386 HydrophobicContact CG-CD2 4.05Å; K126-L386 PolarHBondContact NZ-O 3.1Å; F127-L386 HydrophobicContact CD1-CD1 4.08Å; F127-L386 HydrophobicContact CD1-CD2 4.44Å; F127-L386 HydrophobicContact CE1-CB 4.04Å; F127-L386 HydrophobicContact CE1-CD1 3.69Å; F127-L386 HydrophobicContact CE1-CG 4.32Å; F127-L386 HydrophobicContact CZ-CB 3.97Å; F127-L386 HydrophobicContact CZ-CD1 4.44Å; W130-L386 HydrophobicContact CB-CD2 4.19Å; W130-L386 HydrophobicContact CG-CD2 4.09Å; A383-L386 PolarHBondContact O-N 3.3Å; K384-L386 PolarHBondContact O-N 3.01Å; L386-I391 HydrophobicContact CD1-CG1 4.45Å; L386-I391 HydrophobicContact CD2-CD1 3.78Å; L386-I391 HydrophobicContact CD2-CG1 4Å; L386-I391 HydrophobicContact CG-CD1 3.99Å; L386-I391 HydrophobicContact CG-CG1 4.08Å
387D76.1Confident71.7Confident90 Ų9069.2 Ų69.248%0.48135%0.352SS..  trans-68.7144.2177-171.54.7000110.6W389 E390 I391D387-W389 PolarHBondContact O-N 3.48Å; D387-W389 PolarHBondContact OD1-N 2.91Å; D387-W389 WeakPolarHBondContact OD2-CB 3.5Å; D387-E390 HydrophobicContact CB-CB 4.41Å; D387-E390 WeakPolarHBondContact O-CA 3.5Å; D387-E390 WeakPolarHBondContact O-CB 3.44Å; D387-E390 PolarHBondContact O-N 3.31Å; D387-I391 PolarHBondContact O-N 2.7Å
388K81.2Confident73.5Confident72 Ų7267.4 Ų67.431%0.31334%0.342SS..Hα-helixtrans-53.8-35.3171.7-70.2169.2179.8154.40110.4W253 E378 I391 W392W253-K388 HydrophobicContact CZ2-CB 4.25Å; E378-K388 IonicContact OE1-NZ 3.46Å; E378-K388 PolarHBondContact OE1-NZ 3.04Å; K388-I391 PolarHBondContact O-N 3.46Å; K388-W392 WeakPolarHBondContact O-CB 3.5Å; K388-W392 PolarHBondContact O-N 3.14Å
389W83.6Confident75.6Confident145 Ų14563.2 Ų63.255%0.54932%0.324SS..Hα-helixtrans-66-35.4175.2-171.7-114.2000113.3D387 W392 R393D387-W389 PolarHBondContact O-N 3.48Å; D387-W389 PolarHBondContact OD1-N 2.91Å; D387-W389 WeakPolarHBondContact OD2-CB 3.5Å; W389-W392 HydrophobicContact CE3-CB 4.5Å; W389-W392 AromaticContact CE3-CD1 3.8Å; W389-W392 AromaticContact CZ3-CD1 3.48Å; W389-W392 VanDerWaalsContact CZ3-CD1 3.48Å; W389-W392 PolarHBondContact O-N 3.06Å; W389-R393 VanDerWaalsContact O-CG 3.31Å; W389-R393 WeakPolarHBondContact O-CG 3.47Å; W389-R393 PolarHBondContact O-N 3.2Å
390E86.6Confident78Confident50 Ų5063.6 Ų63.623%0.23432%0.324CS..Hα-helixtrans-61.8-50.5174.1-169.1-179.9170.900110.6D387 W392 R393 W394D387-E390 HydrophobicContact CB-CB 4.41Å; D387-E390 WeakPolarHBondContact O-CA 3.5Å; D387-E390 WeakPolarHBondContact O-CB 3.44Å; D387-E390 PolarHBondContact O-N 3.31Å; E390-W392 VanDerWaalsContact C-N 3.31Å; E390-W392 PolarHBondContact O-N 3.34Å; E390-R393 WeakPolarHBondContact O-CB 3.46Å; E390-R393 PolarHBondContact O-N 2.88Å; E390-R393 VanDerWaalsContact O-N 3.14Å; E390-W394 PolarHBondContact O-N 3.39Å
391I88.1Confident80.3Confident1 Ų165.3 Ų65.31%0.00533%0.329CS..Hα-helixtrans-58.2-43.9176.1-65.2149.1000111.3W130 W253 L386 D387 K388 R393 W394 L395W130-I391 HydrophobicContact CD2-CD1 3.83Å; W130-I391 HydrophobicContact CD2-CG1 3.92Å; W130-I391 HydrophobicContact CD2-CG2 3.77Å; W130-I391 VanDerWaalsContact CE2-CD1 3.42Å; W130-I391 HydrophobicContact CE3-CG1 4.43Å; W130-I391 HydrophobicContact CE3-CG2 3.47Å; W130-I391 VanDerWaalsContact CE3-CG2 3.47Å; W130-I391 HydrophobicContact CG-CD1 3.92Å; W130-I391 HydrophobicContact CG-CG1 4.02Å; W130-I391 HydrophobicContact CH2-CG2 3.59Å; W130-I391 HydrophobicContact CZ2-CD1 3.96Å; W130-I391 HydrophobicContact CZ2-CG2 3.85Å; W130-I391 HydrophobicContact CZ3-CG2 3.38Å; W130-I391 VanDerWaalsContact NE1-CD1 3.27Å; W253-I391 HydrophobicContact CZ2-CB 4.49Å; W253-I391 HydrophobicContact CZ2-CG2 4.23Å; L386-I391 HydrophobicContact CD1-CG1 4.45Å; L386-I391 HydrophobicContact CD2-CD1 3.78Å; L386-I391 HydrophobicContact CD2-CG1 4Å; L386-I391 HydrophobicContact CG-CD1 3.99Å; L386-I391 HydrophobicContact CG-CG1 4.08Å; D387-I391 PolarHBondContact O-N 2.7Å; K388-I391 PolarHBondContact O-N 3.46Å; I391-R393 VanDerWaalsContact C-N 3.33Å; I391-R393 PolarHBondContact O-N 2.8Å; I391-W394 WeakPolarHBondContact O-CB 3.49Å; I391-W394 PolarHBondContact O-N 3.44Å; I391-L395 HydrophobicContact CG2-CD1 4.24Å; I391-L395 HydrophobicContact CG2-CG 4.49Å; I391-L395 WeakPolarHBondContact O-CG 3.27Å; I391-L395 PolarHBondContact O-N 3.37Å
392W90Very high82.6Confident48 Ų4859.9 Ų59.918%0.18229%0.294CS..Hα-helixtrans-60.5-41.7177.3-174.1-126000112.4V246 R250 W253 K388 W389 E390 W394 L395 L396V246-W392 HydrophobicContact CG1-CZ3 4.41Å; R250-W392 HydrophobicContact CB-CE3 4.26Å; R250-W392 HydrophobicContact CB-CH2 4.27Å; R250-W392 HydrophobicContact CB-CZ3 3.66Å; R250-W392 HydrophobicContact CG-CE3 4.28Å; R250-W392 HydrophobicContact CG-CH2 4.1Å; R250-W392 HydrophobicContact CG-CZ3 3.82Å; W253-W392 HydrophobicContact CH2-CB 3.81Å; W253-W392 HydrophobicContact CH2-CE3 4.35Å; W253-W392 HydrophobicContact CH2-CG 4.43Å; W253-W392 HydrophobicContact CZ3-CB 4.22Å; W253-W392 HydrophobicContact CZ3-CE3 4.4Å; W253-W392 HydrophobicContact CZ3-CG 4.46Å; K388-W392 WeakPolarHBondContact O-CB 3.5Å; K388-W392 PolarHBondContact O-N 3.14Å; W389-W392 HydrophobicContact CE3-CB 4.5Å; W389-W392 AromaticContact CE3-CD1 3.8Å; W389-W392 AromaticContact CZ3-CD1 3.48Å; W389-W392 VanDerWaalsContact CZ3-CD1 3.48Å; W389-W392 PolarHBondContact O-N 3.06Å; E390-W392 VanDerWaalsContact C-N 3.31Å; E390-W392 PolarHBondContact O-N 3.34Å; W392-W394 VanDerWaalsContact C-N 3.35Å; W392-W394 PolarHBondContact O-N 3.44Å; W392-L395 HydrophobicContact CE3-CB 4.14Å; W392-L395 HydrophobicContact CE3-CD1 4.12Å; W392-L395 HydrophobicContact CZ3-CB 4.38Å; W392-L395 HydrophobicContact CZ3-CD1 4.46Å; W392-L395 PolarHBondContact O-N 2.78Å; W392-L396 HydrophobicContact CD2-CD1 4.37Å; W392-L396 HydrophobicContact CD2-CG 4.16Å; W392-L396 HydrophobicContact CG-CD1 4.38Å; W392-L396 HydrophobicContact CH2-CD2 4.13Å; W392-L396 HydrophobicContact CH2-CG 4.44Å; W392-L396 HydrophobicContact CZ2-CD1 4.22Å; W392-L396 HydrophobicContact CZ2-CD2 3.68Å; W392-L396 HydrophobicContact CZ2-CG 3.9Å; W392-L396 VanDerWaalsContact NE1-CD1 3.34Å; W392-L396 WeakPolarHBondContact O-CB 3.35Å; W392-L396 WeakPolarHBondContact O-CG 3.38Å; W392-L396 PolarHBondContact O-N 2.97Å
393R93Very high84.8Confident128 Ų12859.4 Ų59.448%0.48329%0.288SS..Hα-helixtrans-59.9-44.6174.1-74.2-177.4-65.8165.32.2111.2W389 E390 I391 L395 L396 T397W389-R393 VanDerWaalsContact O-CG 3.31Å; W389-R393 WeakPolarHBondContact O-CG 3.47Å; W389-R393 PolarHBondContact O-N 3.2Å; E390-R393 WeakPolarHBondContact O-CB 3.46Å; E390-R393 PolarHBondContact O-N 2.88Å; E390-R393 VanDerWaalsContact O-N 3.14Å; I391-R393 VanDerWaalsContact C-N 3.33Å; I391-R393 PolarHBondContact O-N 2.8Å; R393-L395 PolarHBondContact O-N 3.41Å; R393-L396 PolarHBondContact O-N 3.23Å; R393-T397 VanDerWaalsContact O-CG2 3.26Å; R393-T397 WeakPolarHBondContact O-CG2 3.31Å; R393-T397 PolarHBondContact O-N 3.08Å; R393-T397 PolarHBondContact O-OG1 3.24Å
394W93.7Very high86.9Confident70 Ų7063 Ų6327%0.26531%0.312SS..Hα-helixtrans-60.1-44.4175.4-79.394.1000112.2L8 Y9 L134 F138 E390 I391 W392 T397 A398L8-W394 HydrophobicContact CD2-CD2 4.42Å; L8-W394 HydrophobicContact CD2-CG 4.2Å; Y9-W394 HydrophobicContact CD2-CH2 4.31Å; L134-W394 HydrophobicContact CD1-CB 3.97Å; L134-W394 HydrophobicContact CD1-CD2 4.42Å; L134-W394 HydrophobicContact CD1-CG 4.11Å; L134-W394 HydrophobicContact CD2-CB 3.86Å; F138-W394 AromaticContact CE2-CE3 3.53Å; F138-W394 HydrophobicContact CE2-CE3 3.53Å; F138-W394 AromaticContact CE2-CZ3 3.94Å; F138-W394 HydrophobicContact CE2-CZ3 3.94Å; F138-W394 AromaticContact CZ-CE3 3.61Å; F138-W394 HydrophobicContact CZ-CE3 3.61Å; F138-W394 AromaticContact CZ-CZ3 3.99Å; F138-W394 HydrophobicContact CZ-CZ3 3.99Å; E390-W394 PolarHBondContact O-N 3.39Å; I391-W394 WeakPolarHBondContact O-CB 3.49Å; I391-W394 PolarHBondContact O-N 3.44Å; W392-W394 VanDerWaalsContact C-N 3.35Å; W392-W394 PolarHBondContact O-N 3.44Å; W394-T397 WeakPolarHBondContact CA-OG1 3.46Å; W394-T397 PolarHBondContact O-N 2.77Å; W394-T397 PolarHBondContact O-OG1 3.29Å; W394-A398 PolarHBondContact O-N 2.97Å
395L94.7Very high88.9Confident0 Ų056.8 Ų56.80%029%0.29CS..Hα-helixtrans-62.5-43.9175.8-69.4176.7000112.4L134 V137 V246 L249 I391 W392 R393 A398 V399L134-L395 HydrophobicContact CD2-CD2 3.85Å; L134-L395 HydrophobicContact CD2-CG 4.3Å; V137-L395 HydrophobicContact CG1-CD2 4.32Å; V137-L395 HydrophobicContact CG2-CD2 4.13Å; V246-L395 HydrophobicContact CG1-CB 3.88Å; V246-L395 HydrophobicContact CG1-CD2 4.35Å; V246-L395 HydrophobicContact CG1-CG 4.47Å; L249-L395 HydrophobicContact CB-CD1 4.26Å; L249-L395 HydrophobicContact CD1-CD2 3.86Å; I391-L395 HydrophobicContact CG2-CD1 4.24Å; I391-L395 HydrophobicContact CG2-CG 4.49Å; I391-L395 WeakPolarHBondContact O-CG 3.27Å; I391-L395 PolarHBondContact O-N 3.37Å; W392-L395 HydrophobicContact CE3-CB 4.14Å; W392-L395 HydrophobicContact CE3-CD1 4.12Å; W392-L395 HydrophobicContact CZ3-CB 4.38Å; W392-L395 HydrophobicContact CZ3-CD1 4.46Å; W392-L395 PolarHBondContact O-N 2.78Å; R393-L395 PolarHBondContact O-N 3.41Å; L395-A398 WeakPolarHBondContact O-CB 3.49Å; L395-A398 PolarHBondContact O-N 2.62Å; L395-V399 WeakPolarHBondContact O-CG2 3.49Å; L395-V399 PolarHBondContact O-N 3.35Å
396L95.3Very high90.8Very high71 Ų7154.2 Ų54.237%0.37227%0.267SS..Hα-helixtrans-63.2-42.3174.5-76.8176.2000111.8W392 R393 A398 V399 M400W392-L396 HydrophobicContact CD2-CD1 4.37Å; W392-L396 HydrophobicContact CD2-CG 4.16Å; W392-L396 HydrophobicContact CG-CD1 4.38Å; W392-L396 HydrophobicContact CH2-CD2 4.13Å; W392-L396 HydrophobicContact CH2-CG 4.44Å; W392-L396 HydrophobicContact CZ2-CD1 4.22Å; W392-L396 HydrophobicContact CZ2-CD2 3.68Å; W392-L396 HydrophobicContact CZ2-CG 3.9Å; W392-L396 VanDerWaalsContact NE1-CD1 3.34Å; W392-L396 WeakPolarHBondContact O-CB 3.35Å; W392-L396 WeakPolarHBondContact O-CG 3.38Å; W392-L396 PolarHBondContact O-N 2.97Å; R393-L396 PolarHBondContact O-N 3.23Å; L396-A398 VanDerWaalsContact C-N 3.27Å; L396-A398 PolarHBondContact O-N 2.99Å; L396-V399 PolarHBondContact O-N 3.05Å; L396-M400 VanDerWaalsContact O-CG 3.32Å; L396-M400 WeakPolarHBondContact O-CG 3.37Å; L396-M400 PolarHBondContact O-N 3.25Å
397T96.1Very high91.9Very high60 Ų6058.1 Ų58.137%0.36829%0.288SS..Hα-helixtrans-61.3-38.3175.858.40000111.5R393 W394 M400 M401R393-T397 VanDerWaalsContact O-CG2 3.26Å; R393-T397 WeakPolarHBondContact O-CG2 3.31Å; R393-T397 PolarHBondContact O-N 3.08Å; R393-T397 PolarHBondContact O-OG1 3.24Å; W394-T397 WeakPolarHBondContact CA-OG1 3.46Å; W394-T397 PolarHBondContact O-N 2.77Å; W394-T397 PolarHBondContact O-OG1 3.29Å; T397-M400 PolarHBondContact O-N 3.43Å; T397-M401 WeakPolarHBondContact O-CB 3.46Å; T397-M401 VanDerWaalsContact O-CG 3.27Å; T397-M401 WeakPolarHBondContact O-CG 3.25Å; T397-M401 PolarHBondContact O-N 3.05Å
398A96.2Very high92.8Very high0 Ų057.9 Ų57.90%029%0.293CS..Hα-helixtrans-63.8-43.117500000112V137 F138 V141 F242 W394 L395 L396 M401 A402V137-A398 HydrophobicContact CG1-CB 3.57Å; F138-A398 HydrophobicContact CE1-CB 4.08Å; F138-A398 HydrophobicContact CZ-CB 4.16Å; V141-A398 HydrophobicContact CG2-CB 3.77Å; V141-A398 WeakPolarHBondContact CG2-O 3.47Å; F242-A398 HydrophobicContact CZ-CB 4.24Å; W394-A398 PolarHBondContact O-N 2.97Å; L395-A398 WeakPolarHBondContact O-CB 3.49Å; L395-A398 PolarHBondContact O-N 2.62Å; L396-A398 VanDerWaalsContact C-N 3.27Å; L396-A398 PolarHBondContact O-N 2.99Å; A398-M401 PolarHBondContact O-N 3.36Å; A398-A402 WeakPolarHBondContact O-CB 3.42Å; A398-A402 PolarHBondContact O-N 2.95Å
399V96.9Very high93.3Very high24 Ų2455.9 Ų55.915%0.14528%0.284CS..Hα-helixtrans-62.5-42.9174.1175.20000111.6F242 V246 L395 L396 A402 S403F242-V399 HydrophobicContact CE1-CG2 4.09Å; V246-V399 HydrophobicContact CB-CG2 4.02Å; V246-V399 HydrophobicContact CG1-CG2 3.85Å; V246-V399 HydrophobicContact CG2-CG2 3.91Å; L395-V399 WeakPolarHBondContact O-CG2 3.49Å; L395-V399 PolarHBondContact O-N 3.35Å; L396-V399 PolarHBondContact O-N 3.05Å; V399-A402 PolarHBondContact O-N 3.26Å; V399-S403 VanDerWaalsContact O-CB 3.23Å; V399-S403 WeakPolarHBondContact O-CB 3.43Å; V399-S403 PolarHBondContact O-N 3.19Å; V399-S403 PolarHBondContact O-OG 2.75Å
400M97Very high93.5Very high132 Ų13255.1 Ų55.165%0.6528%0.281SS*.Hα-helixtrans-64.9-42.4177.1-69-59.8-67.500112L396 T397 S403 S404L396-M400 VanDerWaalsContact O-CG 3.32Å; L396-M400 WeakPolarHBondContact O-CG 3.37Å; L396-M400 PolarHBondContact O-N 3.25Å; T397-M400 PolarHBondContact O-N 3.43Å; M400-S403 PolarHBondContact O-N 3.14Å; M400-S404 WeakPolarHBondContact O-CB 3.49Å; M400-S404 PolarHBondContact O-N 3.39Å
401M96.5Very high93.6Very high100 Ų10061.7 Ų61.749%0.49330%0.304SS..Hα-helixtrans-63.7-45.4175.9-74.4179.517900111.9F138 V141 T397 A398 S404 G405F138-M401 HydrophobicContact CE1-SD 3.93Å; V141-M401 HydrophobicContact CG1-CB 3.78Å; T397-M401 WeakPolarHBondContact O-CB 3.46Å; T397-M401 VanDerWaalsContact O-CG 3.27Å; T397-M401 WeakPolarHBondContact O-CG 3.25Å; T397-M401 PolarHBondContact O-N 3.05Å; A398-M401 PolarHBondContact O-N 3.36Å; M401-S404 PolarHBondContact O-N 3.44Å; M401-G405 PolarHBondContact O-N 2.95Å
402A95.7Very high93.6Very high0 Ų064.4 Ų64.40%033%0.332CS..Hα-helixtrans-65-41.4176.700000111.7V141 I144 I239 F242 A398 V399 M406V141-A402 HydrophobicContact CG1-CB 4.37Å; V141-A402 HydrophobicContact CG2-CB 4.25Å; I144-A402 HydrophobicContact CD1-CB 3.91Å; I144-A402 HydrophobicContact CG2-CB 4.4Å; I239-A402 HydrophobicContact CD1-CB 3.61Å; F242-A402 HydrophobicContact CD1-CB 3.86Å; F242-A402 HydrophobicContact CE1-CB 3.71Å; A398-A402 WeakPolarHBondContact O-CB 3.42Å; A398-A402 PolarHBondContact O-N 2.95Å; V399-A402 PolarHBondContact O-N 3.26Å; A402-M406 WeakPolarHBondContact O-CB 3.18Å; A402-M406 PolarHBondContact O-N 2.85Å
403S95.6Very high93.5Very high44 Ų4464.3 Ų64.331%0.30833%0.332SS..Hα-helixtrans-66.8-41178-58.90000111.4V399 M400 M406 L407V399-S403 VanDerWaalsContact O-CB 3.23Å; V399-S403 WeakPolarHBondContact O-CB 3.43Å; V399-S403 PolarHBondContact O-N 3.19Å; V399-S403 PolarHBondContact O-OG 2.75Å; M400-S403 PolarHBondContact O-N 3.14Å; S403-M406 PolarHBondContact O-N 3.48Å; S403-L407 WeakPolarHBondContact O-CB 3.45Å; S403-L407 PolarHBondContact O-N 2.94Å
404S95.4Very high93.2Very high81 Ų8161.4 Ų61.457%0.56633%0.326SS*.Hα-helixtrans-63.2-48.2176.6178.80000111.5M400 M401 L407 S408M400-S404 WeakPolarHBondContact O-CB 3.49Å; M400-S404 PolarHBondContact O-N 3.39Å; M401-S404 PolarHBondContact O-N 3.44Å; S404-L407 PolarHBondContact O-N 2.85Å; S404-S408 WeakPolarHBondContact O-CB 3.35Å; S404-S408 PolarHBondContact O-N 3.23Å
405G93Very high92.7Very high16 Ų1658.3 Ų58.317%0.16532%0.315CS..Hα-helixtrans-66-40.1176.700000112.8N145 M401 S408 R409N145-G405 WeakPolarHBondContact OD1-CA 3.34Å; M401-G405 PolarHBondContact O-N 2.95Å; G405-S408 PolarHBondContact O-N 3.18Å; G405-R409 WeakPolarHBondContact O-CG 3.39Å; G405-R409 PolarHBondContact O-N 2.98Å
406M93.4Very high92Very high5 Ų562 Ų623%0.02534%0.335CS..Hα-helixtrans-63.4-44174.4-172.161.785.800111.8I144 P234 N235 P236 I239 A402 S403 S408 R409 Y410I144-M406 HydrophobicContact CG2-CB 4.27Å; I144-M406 HydrophobicContact CG2-CE 3.81Å; P234-M406 WeakPolarHBondContact O-CE 2.98Å; N235-M406 HydrophobicContact CB-SD 4.18Å; N235-M406 PolarHBondContact OD1-SD 3.48Å; P236-M406 HydrophobicContact CB-CG 4.1Å; P236-M406 HydrophobicContact CB-SD 4.48Å; I239-M406 HydrophobicContact CB-CG 4.38Å; A402-M406 WeakPolarHBondContact O-CB 3.18Å; A402-M406 PolarHBondContact O-N 2.85Å; S403-M406 PolarHBondContact O-N 3.48Å; M406-S408 VanDerWaalsContact C-N 3.32Å; M406-S408 PolarHBondContact O-N 3.46Å; M406-R409 PolarHBondContact O-N 3.36Å; M406-Y410 VanDerWaalsContact O-CB 3.29Å; M406-Y410 WeakPolarHBondContact O-CB 3.18Å; M406-Y410 PolarHBondContact O-N 3.48Å
407L93Very high90.9Very high84 Ų8462.9 Ų62.944%0.4434%0.343SS..Hα-helixtrans-63-39.8177.4-178.162.8000111.5S403 S404 R411S403-L407 WeakPolarHBondContact O-CB 3.45Å; S403-L407 PolarHBondContact O-N 2.94Å; S404-L407 PolarHBondContact O-N 2.85Å; L407-R411 HydrophobicContact CD1-CG 4.28Å; L407-R411 WeakPolarHBondContact O-CB 3.12Å; L407-R411 VanDerWaalsContact O-CG 3.3Å; L407-R411 WeakPolarHBondContact O-CG 3.38Å; L407-R411 PolarHBondContact O-N 3.46Å
408S93.1Very high89.4Confident84 Ų8462.8 Ų62.859%0.58734%0.338SS*.Hα-helixtrans-61.8-45.1174177.60000111.6S404 G405 M406 G412S404-S408 WeakPolarHBondContact O-CB 3.35Å; S404-S408 PolarHBondContact O-N 3.23Å; G405-S408 PolarHBondContact O-N 3.18Å; M406-S408 VanDerWaalsContact C-N 3.32Å; M406-S408 PolarHBondContact O-N 3.46Å; S408-G412 PolarHBondContact O-N 2.89Å
409R92.1Very high87.6Confident31 Ų3168.2 Ų68.212%0.11736%0.364CS..Hα-helixtrans-64.1-46.8176.2-71.4172.860.8-149.1-6.7112.2I144 T147 G405 M406 R411 G412 W413 E482I144-R409 WeakPolarHBondContact O-CD 3.08Å; I144-R409 PolarHBondContact O-NH1 3.35Å; T147-R409 VanDerWaalsContact CG2-NH2 3.31Å; T147-R409 PolarHBondContact OG1-NE 3.49Å; T147-R409 PolarHBondContact OG1-NH2 3.37Å; G405-R409 WeakPolarHBondContact O-CG 3.39Å; G405-R409 PolarHBondContact O-N 2.98Å; M406-R409 PolarHBondContact O-N 3.36Å; R409-R411 VanDerWaalsContact C-N 3.33Å; R409-R411 PolarHBondContact O-N 3.41Å; R409-G412 PolarHBondContact O-N 3.36Å; R409-W413 WeakPolarHBondContact O-CB 3.22Å; R409-W413 PolarHBondContact O-N 3.38Å; R409-E482 IonicContact CZ-OE1 3.31Å; R409-E482 IonicContact CZ-OE2 3.72Å; R409-E482 VanDerWaalsContact CZ-OE2 3.24Å; R409-E482 IonicContact NE-OE1 2.6Å; R409-E482 IonicContact NE-OE2 2.87Å; R409-E482 PolarHBondContact NE-OE2 2.9Å; R409-E482 IonicContact NH2-OE1 2.76Å; R409-E482 PolarHBondContact NH2-OE1 3.26Å; R409-E482 IonicContact NH2-OE2 3.79Å; R409-E482 PolarHBondContact NH2-OE2 2.98Å
410Y88Confident85.4Confident128 Ų12874 Ų7450%0.50239%0.393SS..Hα-helixtrans-61.6-40179.1-173.1-98000112.1N235 P236 M406N235-Y410 WeakPolarHBondContact OD1-CD2 3.36Å; P236-Y410 HydrophobicContact CB-CD2 4.36Å; P236-Y410 HydrophobicContact CG-CD2 4.35Å; P236-Y410 HydrophobicContact CG-CE2 4.33Å; M406-Y410 VanDerWaalsContact O-CB 3.29Å; M406-Y410 WeakPolarHBondContact O-CB 3.18Å; M406-Y410 PolarHBondContact O-N 3.48Å
411R89.2Confident83.1Confident189 Ų18971.2 Ų71.271%0.71339%0.386SS*.Hα-helixtrans-72.3-34.9175-73.3179.4178.7-179.20.3113.1L407 R409L407-R411 HydrophobicContact CD1-CG 4.28Å; L407-R411 WeakPolarHBondContact O-CB 3.12Å; L407-R411 VanDerWaalsContact O-CG 3.3Å; L407-R411 WeakPolarHBondContact O-CG 3.38Å; L407-R411 PolarHBondContact O-N 3.46Å; R409-R411 VanDerWaalsContact C-N 3.33Å; R409-R411 PolarHBondContact O-N 3.41Å
412G87.6Confident80.9Confident58 Ų5871.3 Ų71.360%0.59839%0.394SS*.Hα-helixtrans-74.8-29.6-179.100000113.5S408 R409 N414S408-G412 PolarHBondContact O-N 2.89Å; R409-G412 PolarHBondContact O-N 3.36Å; G412-N414 PolarHBondContact O-N 3.11Å
413W88.7Confident78.8Confident45 Ų4572.9 Ų72.917%0.1741%0.407CS..  trans-87.2100.8177-178.357000110.6R409 P415 G481 E482 Y486 I488R409-W413 WeakPolarHBondContact O-CB 3.22Å; R409-W413 PolarHBondContact O-N 3.38Å; W413-P415 HydrophobicContact CZ2-CG 4.2Å; W413-G481 PolarHBondContact NE1-O 2.64Å; W413-E482 HydrophobicContact CB-CG 4.23Å; W413-E482 HydrophobicContact CG-CG 4.12Å; W413-Y486 PolarHBondContact NE1-O 3.02Å; W413-I488 HydrophobicContact CH2-CD1 4.46Å; W413-I488 HydrophobicContact CZ2-CD1 3.81Å; W413-I488 HydrophobicContact CZ2-CG1 3.97Å
414N85.6Confident76.7Confident67 Ų6774.9 Ų74.936%0.35843%0.427SS..  trans-137.282.7175.9-169.8-13.5000109.6G412 D416 V417 N485G412-N414 PolarHBondContact O-N 3.11Å; N414-D416 PolarHBondContact O-N 3.04Å; N414-D416 PolarHBondContact OD1-N 3.19Å; N414-V417 HydrophobicContact CB-CG2 4.19Å; N414-V417 VanDerWaalsContact CG-CG2 3.5Å; N414-V417 VanDerWaalsContact ND2-CG2 3.28Å; N414-V417 WeakPolarHBondContact ND2-CG2 3.41Å; N414-V417 PolarHBondContact O-N 2.92Å; N414-N485 PolarHBondContact N-OD1 2.79Å; N414-N485 PolarHBondContact O-ND2 2.93Å; N414-N485 PolarHBondContact O-OD1 3.33Å
415P83.1Confident75.3Confident5 Ų575.2 Ų75.23%0.03242%0.422CS..G310 helixtrans-64-23.6-176.726.1-34.4000112.9W413 V417 Q418 N485 Y487W413-P415 HydrophobicContact CZ2-CG 4.2Å; P415-V417 VanDerWaalsContact C-N 3.28Å; P415-V417 PolarHBondContact O-N 3.15Å; P415-Q418 PolarHBondContact O-N 3.05Å; P415-N485 VanDerWaalsContact CA-O 3.32Å; P415-N485 WeakPolarHBondContact CA-O 3.13Å; P415-N485 WeakPolarHBondContact CB-O 3.14Å; P415-Y487 HydrophobicContact CB-CD1 3.96Å; P415-Y487 HydrophobicContact CB-CD2 3.97Å; P415-Y487 HydrophobicContact CB-CE1 3.9Å; P415-Y487 HydrophobicContact CB-CE2 3.92Å; P415-Y487 HydrophobicContact CB-CG 3.99Å; P415-Y487 HydrophobicContact CG-CD1 3.8Å; P415-Y487 HydrophobicContact CG-CE1 3.75Å; P415-Y487 HydrophobicContact CG-CG 4.28Å
416D80.6Confident74.6Confident79 Ų7975.7 Ų75.742%0.42243%0.427SS..G310 helixtrans-65.1-30.7178.5-58.5-42.2000112.2N414 Q418 Q419 Y487N414-D416 PolarHBondContact O-N 3.04Å; N414-D416 PolarHBondContact OD1-N 3.19Å; D416-Q418 VanDerWaalsContact C-N 3.33Å; D416-Q418 PolarHBondContact O-N 3.1Å; D416-Q419 WeakPolarHBondContact O-CB 3.21Å; D416-Q419 WeakPolarHBondContact O-CG 3.44Å; D416-Y487 WeakPolarHBondContact CA-OH 3.39Å; D416-Y487 WeakPolarHBondContact OD1-CE1 3.32Å; D416-Y487 VanDerWaalsContact OD1-CZ 3.31Å; D416-Y487 PolarHBondContact OD1-OH 3.25Å
417V72Confident74.4Confident88 Ų8876.3 Ų76.353%0.53343%0.431SS..G310 helixtrans-71.1-26.5179.2173.40000112.5N414 P415 Q419N414-V417 HydrophobicContact CB-CG2 4.19Å; N414-V417 VanDerWaalsContact CG-CG2 3.5Å; N414-V417 VanDerWaalsContact ND2-CG2 3.28Å; N414-V417 WeakPolarHBondContact ND2-CG2 3.41Å; N414-V417 PolarHBondContact O-N 2.92Å; P415-V417 VanDerWaalsContact C-N 3.28Å; P415-V417 PolarHBondContact O-N 3.15Å; V417-Q419 PolarHBondContact O-N 2.95Å
418Q64Low74.3Confident58 Ų5872.3 Ų72.327%0.27141%0.41SS..G310 helixtrans-77.1-3.5-176.6-148.4175.515.500113.3P415 D416 L420 L484 N485 Y486P415-Q418 PolarHBondContact O-N 3.05Å; D416-Q418 VanDerWaalsContact C-N 3.33Å; D416-Q418 PolarHBondContact O-N 3.1Å; Q418-L420 PolarHBondContact O-N 2.7Å; Q418-L484 PolarHBondContact NE2-O 2.95Å; Q418-L484 PolarHBondContact OE1-O 3.46Å; Q418-N485 PolarHBondContact OE1-O 3.18Å; Q418-Y486 VanDerWaalsContact OE1-CD1 3.32Å
419Q58.6Low74.2Confident115 Ų11568.5 Ų68.554%0.53738%0.383SS..G310 helixtrans-63.5-3-179.9-70-175-3.500114.8D416 V417 S421 Y487D416-Q419 WeakPolarHBondContact O-CB 3.21Å; D416-Q419 WeakPolarHBondContact O-CG 3.44Å; V417-Q419 PolarHBondContact O-N 2.95Å; Q419-S421 PolarHBondContact O-N 3.08Å; Q419-Y487 PolarHBondContact NE2-OH 3.1Å
420L50.4Low74.4Confident146 Ų14667 Ų6776%0.76438%0.377SS*.G310 helixtrans-87.311.4-169.4-88.4140.5000116.9Q418Q418-L420 PolarHBondContact O-N 2.7Å
421S49.7Very low74.7Confident73 Ų7361 Ų6151%0.5135%0.354SS..  trans-129.6101.2168.6-640000110.4Q419 A423Q419-S421 PolarHBondContact O-N 3.08Å; S421-A423 PolarHBondContact O-N 2.8Å; S421-A423 VanDerWaalsContact O-N 3.07Å
422P49.3Very low74.9Confident102 Ų10252 Ų5266%0.66232%0.32SS*.  trans-57.9118.5162.724.6-29.8000106.1A424P422-A424 PolarHBondContact O-N 2.86Å
423A52.1Low75Confident32 Ų3249.3 Ų49.326%0.26429%0.292SS..  trans-60.8100.9159.400000104.4S421 N425 Q532S421-A423 PolarHBondContact O-N 2.8Å; S421-A423 VanDerWaalsContact O-N 3.07Å; A423-N425 PolarHBondContact O-N 3.36Å; A423-Q532 PolarHBondContact O-NE2 2.96Å; A423-Q532 VanDerWaalsContact O-NE2 3.11Å
424A50.9Low74.8Confident87 Ų8748 Ų4872%0.71929%0.289SS*.THydrogen-bonded Turntrans-6716.6-153.500000115.8P422P422-A424 PolarHBondContact O-N 2.86Å
425N66.7Low74.6Confident88 Ų8844.9 Ų44.947%0.47127%0.272SS..THydrogen-bonded Turntrans-13210.5-162.4-61.9-19.4000114.5A423 T427A423-N425 PolarHBondContact O-N 3.36Å; N425-T427 HydrophobicContact CB-CG2 4.35Å; N425-T427 WeakPolarHBondContact O-CG2 3.47Å; N425-T427 PolarHBondContact O-N 2.95Å
426G79.2Confident74.3Confident26 Ų2644.6 Ų44.627%0.26827%0.271SS..SBendtrans66.820.8179.400000113.8Q532 F642G426-Q532 VanDerWaalsContact CA-OE1 3.23Å; G426-F642 VanDerWaalsContact O-CD2 3.24Å; G426-F642 WeakPolarHBondContact O-CD2 3.33Å; G426-F642 PolarHBondContact O-N 2.73Å
427T87.5Confident74Confident17 Ų1742.4 Ų42.410%0.10426%0.257CS..EExtended strand (participates in β ladder)trans-118.2151.2-177.465.30000111.7N425 Q532 L620 F640 E641N425-T427 HydrophobicContact CB-CG2 4.35Å; N425-T427 WeakPolarHBondContact O-CG2 3.47Å; N425-T427 PolarHBondContact O-N 2.95Å; T427-Q532 PolarHBondContact O-NE2 3.39Å; T427-L620 HydrophobicContact CG2-CD1 3.34Å; T427-F640 CarbonylContact C-O 3.51Å; T427-F640 WeakPolarHBondContact CA-O 3.33Å; T427-F640 WeakPolarHBondContact CB-O 3.36Å; T427-E641 HydrophobicContact CG2-CB 4.37Å; T427-E641 HydrophobicContact CG2-CG 4.41Å
428F91.1Very high74.2Confident1 Ų138.3 Ų38.30%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-140.1154.2170.968.2-86.7000112.3D460 I531 V536 L574 L617 R639 F640 F642F428-D460 WeakPolarHBondContact CA-OD2 3.09Å; F428-D460 HydrophobicContact CB-CB 4.15Å; F428-I531 HydrophobicContact CB-CD1 4.39Å; F428-I531 HydrophobicContact CB-CG2 3.76Å; F428-I531 HydrophobicContact CD1-CD1 4.24Å; F428-I531 HydrophobicContact CD1-CG2 4.04Å; F428-I531 HydrophobicContact CD2-CD1 3.77Å; F428-I531 HydrophobicContact CE1-CD1 4.48Å; F428-I531 HydrophobicContact CE2-CD1 4.03Å; F428-I531 HydrophobicContact CG-CD1 3.88Å; F428-I531 HydrophobicContact CG-CG2 4Å; F428-I531 HydrophobicContact CZ-CD1 4.38Å; F428-V536 HydrophobicContact CE1-CG2 4.46Å; F428-V536 HydrophobicContact CZ-CG1 4.36Å; F428-L574 HydrophobicContact CE2-CD1 3.63Å; F428-L574 HydrophobicContact CZ-CD1 3.73Å; F428-L617 HydrophobicContact CE1-CD1 4.45Å; F428-L617 HydrophobicContact CE1-CD2 4Å; F428-L617 HydrophobicContact CZ-CD1 3.96Å; F428-L617 HydrophobicContact CZ-CD2 4.33Å; F428-R639 WeakPolarHBondContact O-CA 3.4Å; F428-F640 HydrophobicContact CD1-CB 4.29Å; F428-F640 HydrophobicContact CE1-CB 3.71Å; F428-F640 HydrophobicContact CE2-CB 4.2Å; F428-F640 AromaticContact CE2-CD2 3.91Å; F428-F640 HydrophobicContact CE2-CD2 3.91Å; F428-F640 HydrophobicContact CE2-CG 4.45Å; F428-F640 HydrophobicContact CZ-CB 3.66Å; F428-F640 HydrophobicContact CZ-CD2 4.02Å; F428-F640 HydrophobicContact CZ-CG 4.13Å; F428-F640 PolarHBondContact N-O 3.34Å; F428-F640 PolarHBondContact O-N 3.22Å; F428-F642 HydrophobicContact CD1-CE1 4.28Å; F428-F642 HydrophobicContact CD1-CZ 4.09Å; F428-F642 HydrophobicContact CE1-CE1 4.05Å; F428-F642 HydrophobicContact CE1-CZ 4.34Å
429L92.6Very high74.8Confident4 Ų435.8 Ų35.82%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-108120-179.618061.5000111.2L457 P459 D460 V461 V637 R639 F666L429-L457 WeakPolarHBondContact CD2-O 3.47Å; L429-P459 HydrophobicContact CD2-CB 4.45Å; L429-P459 HydrophobicContact CG-CB 4.4Å; L429-D460 PolarHBondContact N-OD2 2.9Å; L429-D460 PolarHBondContact O-N 2.78Å; L429-V461 PolarHBondContact O-N 3.19Å; L429-V461 VanDerWaalsContact O-N 3.11Å; L429-V637 HydrophobicContact CD1-CB 4.2Å; L429-R639 HydrophobicContact CD1-CB 4.3Å; L429-F666 HydrophobicContact CD1-CE1 3.83Å
430L95Very high75.6Confident0 Ų030.4 Ų30.40%020%0.197CC..EExtended strand (participates in β ladder)trans-96132.2171.8-174.272.4000110.1V461 L463 L574 A576 I612 V637 A638 F640L430-V461 CarbonylContact C-O 3.55Å; L430-V461 WeakPolarHBondContact CA-O 3.46Å; L430-V461 HydrophobicContact CD1-CB 3.89Å; L430-V461 HydrophobicContact CD1-CG1 3.89Å; L430-L463 HydrophobicContact CD1-CD1 3.78Å; L430-L463 HydrophobicContact CD1-CD2 4.32Å; L430-L463 HydrophobicContact CD1-CG 3.78Å; L430-L463 HydrophobicContact CD2-CD1 4.21Å; L430-L463 HydrophobicContact CG-CD1 4.32Å; L430-L574 HydrophobicContact CD2-CD1 4.25Å; L430-A576 HydrophobicContact CD2-CB 3.92Å; L430-I612 HydrophobicContact CD2-CD1 4.48Å; L430-I612 HydrophobicContact CD2-CG2 4.12Å; L430-V637 CarbonylContact O-C 3.3Å; L430-V637 VanDerWaalsContact O-CA 3.26Å; L430-V637 WeakPolarHBondContact O-CA 3.33Å; L430-A638 PolarHBondContact N-O 3.15Å; L430-A638 PolarHBondContact O-N 2.66Å; L430-F640 HydrophobicContact CB-CE2 4.26Å; L430-F640 HydrophobicContact CD2-CE2 4.31Å
431A94Very high76.7Confident0 Ų026.1 Ų26.10%017%0.172CC..EExtended strand (participates in β ladder)trans-114.8132.6166.700000110.2M433 P459 V461 V462 L463 V637A431-M433 HydrophobicContact CB-CE 4.45Å; A431-P459 HydrophobicContact CB-CB 3.78Å; A431-P459 HydrophobicContact CB-CG 4.3Å; A431-V461 PolarHBondContact N-O 3.49Å; A431-V462 HydrophobicContact CB-CG2 4.4Å; A431-V462 CarbonylContact O-C 3.52Å; A431-V462 WeakPolarHBondContact O-CA 3.22Å; A431-L463 PolarHBondContact O-N 3.11Å; A431-V637 HydrophobicContact CB-CG1 4.02Å
432L93.3Very high77.7Confident0 Ų023.3 Ų23.30%015%0.15CC..EExtended strand (participates in β ladder)trans-118.2120.5173.7176.868.7000108.3L463 L465 A576 M610 I612 Q636L432-L463 HydrophobicContact CD1-CB 3.76Å; L432-L463 HydrophobicContact CD1-CD1 4.33Å; L432-L465 HydrophobicContact CD1-CD1 4.18Å; L432-L465 HydrophobicContact CD1-CG 4.28Å; L432-A576 HydrophobicContact CD2-CB 4.37Å; L432-M610 HydrophobicContact CD1-CE 4.33Å; L432-M610 HydrophobicContact CD2-CB 4.37Å; L432-M610 HydrophobicContact CD2-CE 3.62Å; L432-M610 HydrophobicContact CG-CE 3.48Å; L432-M610 VanDerWaalsContact CG-CE 3.48Å; L432-I612 HydrophobicContact CB-CD1 4.44Å; L432-I612 HydrophobicContact CD2-CG1 4.19Å; L432-Q636 PolarHBondContact N-O 2.9Å; L432-Q636 PolarHBondContact O-N 2.74Å
433M89.8Confident78.7Confident2 Ų218.6 Ų18.61%0.0112%0.12CC..EExtended strand (participates in β ladder)trans-144.6158179.465.3179.372.600111.5A431 L453 C454 V462 L463 L464 L465 I635A431-M433 HydrophobicContact CB-CE 4.45Å; M433-L453 HydrophobicContact CE-CD2 4.43Å; M433-C454 VanDerWaalsContact CE-SG 3.55Å; M433-V462 HydrophobicContact CE-CG1 3.95Å; M433-V462 HydrophobicContact CG-CG1 4.34Å; M433-V462 HydrophobicContact SD-CG1 4.28Å; M433-L463 PolarHBondContact N-O 3.27Å; M433-L464 HydrophobicContact CG-CD2 3.46Å; M433-L464 VanDerWaalsContact CG-CD2 3.46Å; M433-L464 WeakPolarHBondContact O-CA 3.45Å; M433-L464 HydrophobicContact SD-CD2 3.83Å; M433-L465 PolarHBondContact O-N 3.31Å; M433-L465 VanDerWaalsContact O-N 3.08Å; M433-I635 HydrophobicContact CB-CG1 4.17Å; M433-I635 HydrophobicContact CB-CG2 4.25Å
434T85.4Confident79.8Confident18 Ų1817.1 Ų17.111%0.1111%0.107CC..EExtended strand (participates in β ladder)trans-93.8139169.378.10000110G436 L465 M610 S632T434-G436 VanDerWaalsContact C-N 3.27Å; T434-L465 CarbonylContact C-O 3.52Å; T434-L465 WeakPolarHBondContact CA-O 3.38Å; T434-L465 HydrophobicContact CG2-CB 4.33Å; T434-M610 HydrophobicContact CG2-CE 4.4Å; T434-M610 HydrophobicContact CG2-SD 4.06Å; T434-S632 PolarHBondContact O-OG 2.77Å; T434-S632 WeakPolarHBondContact OG1-CB 3.32Å; T434-S632 PolarHBondContact OG1-OG 3.21Å
435A81.8Confident81.2Confident1 Ų114 Ų141%0.0088%0.079CC..  trans-77.4-12.8177.800000112.8H437 G438 N446 L465 T467 L476A435-H437 PolarHBondContact O-N 3.45Å; A435-G438 PolarHBondContact O-N 2.82Å; A435-N446 PolarHBondContact O-ND2 2.78Å; A435-L465 WeakPolarHBondContact CB-O 3.48Å; A435-L465 PolarHBondContact N-O 3.44Å; A435-T467 HydrophobicContact CB-CG2 3.96Å; A435-L476 HydrophobicContact CB-CB 4.4Å; A435-L476 HydrophobicContact CB-CD2 3.45Å; A435-L476 VanDerWaalsContact CB-CD2 3.45Å
436G76.7Confident82Confident0 Ų09.9 Ų9.90%06%0.057CC..G310 helixtrans58.132.4178.100000113.6T434 G438 T439T434-G436 VanDerWaalsContact C-N 3.27Å; G436-G438 PolarHBondContact O-N 3.36Å; G436-T439 PolarHBondContact O-N 3.24Å; G436-T439 PolarHBondContact O-OG1 3.49Å
437H73.8Confident82.3Confident32 Ų328.7 Ų8.715%0.1485%0.045CC..G310 helixtrans53.729.9-172.3-37.5-71.8000113.5A435 E466 E468 Y471A435-H437 PolarHBondContact O-N 3.45Å; H437-E466 WeakPolarHBondContact CA-O 3.21Å; H437-E466 PolarHBondContact N-O 3.3Å; H437-E466 VanDerWaalsContact N-O 3.13Å; H437-E468 WeakPolarHBondContact CB-O 3.46Å; H437-E468 IonicContact CE1-OE1 2.73Å; H437-E468 PolarHBondContact CE1-OE1 3.47Å; H437-E468 IonicContact ND1-OE1 3.46Å; H437-E468 PolarHBondContact ND1-OE1 3.46Å; H437-Y471 HydrophobicContact CB-CD2 4.15Å; H437-Y471 HydrophobicContact CB-CE2 4.47Å
438G76.7Confident82.1Confident2 Ų29.1 Ų9.12%0.0215%0.05CC..G310 helixtrans80.213-178.700000114.9A435 G436 P445 N446 S474A435-G438 PolarHBondContact O-N 2.82Å; G436-G438 PolarHBondContact O-N 3.36Å; G438-P445 WeakPolarHBondContact O-CA 3.46Å; G438-N446 PolarHBondContact O-N 2.87Å; G438-S474 PolarHBondContact O-OG 3.06Å
439T75.5Confident81.7Confident5 Ų510.5 Ų10.53%0.0316%0.058CC..BIsolated β-bridgetrans-124.4150.9179.560.40000113.4G436 W444 N446G436-T439 PolarHBondContact O-N 3.24Å; G436-T439 PolarHBondContact O-OG1 3.49Å; T439-W444 CarbonylContact C-O 3.58Å; T439-W444 VanDerWaalsContact CA-O 3.25Å; T439-W444 WeakPolarHBondContact CA-O 3.47Å; T439-N446 PolarHBondContact N-ND2 2.67Å; T439-N446 PolarHBondContact O-ND2 2.84Å
440D77.1Confident81.4Confident2 Ų210.4 Ų10.41%0.0116%0.058CC..BIsolated β-bridgetrans-84.4178.4175.182.6-9.3000110.7Y442 G443 W444 N446 R629D440-Y442 PolarHBondContact O-N 2.87Å; D440-Y442 VanDerWaalsContact OD1-C 3.23Å; D440-Y442 VanDerWaalsContact OD1-CA 3.25Å; D440-Y442 WeakPolarHBondContact OD1-CA 3.47Å; D440-Y442 VanDerWaalsContact OD1-CB 3.29Å; D440-Y442 WeakPolarHBondContact OD1-CB 3.46Å; D440-Y442 PolarHBondContact OD1-N 3.33Å; D440-G443 PolarHBondContact O-N 3.38Å; D440-G443 VanDerWaalsContact O-N 3.08Å; D440-G443 PolarHBondContact OD1-N 2.89Å; D440-W444 PolarHBondContact N-O 3.28Å; D440-W444 PolarHBondContact OD1-N 3.4Å; D440-N446 HydrophobicContact CB-CB 4Å; D440-R629 HydrophobicContact CB-CB 4.48Å; D440-R629 WeakPolarHBondContact CB-O 3.27Å; D440-R629 IonicContact OD2-CZ 2.84Å; D440-R629 IonicContact OD2-NE 3.78Å; D440-R629 PolarHBondContact OD2-NE 2.75Å; D440-R629 IonicContact OD2-NH2 3.51Å; D440-R629 PolarHBondContact OD2-NH2 3.43Å
441K72.3Confident81.1Confident56 Ų5610.7 Ų10.724%0.2436%0.06CC..THydrogen-bonded Turntrans-61.9-6.9179.171.7-166.9-171-175.90114.5G628 R629 E677K441-G628 VanDerWaalsContact CE-O 3.23Å; K441-G628 WeakPolarHBondContact CE-O 3.35Å; K441-G628 PolarHBondContact NZ-O 3.48Å; K441-R629 WeakPolarHBondContact CG-O 3.46Å; K441-R629 PolarHBondContact N-O 2.77Å; K441-E677 IonicContact NZ-OE1 2.77Å; K441-E677 IonicContact NZ-OE2 3.46Å; K441-E677 PolarHBondContact NZ-OE2 3.4Å
442Y70.4Confident80.7Confident15 Ų1512.2 Ų12.26%0.0597%0.072CC..THydrogen-bonded Turntrans-115.51.3-177.5-56.2-66.8000113.1T95 D440 Q679 R680T95-Y442 WeakPolarHBondContact OG1-CD1 3.32Å; D440-Y442 PolarHBondContact O-N 2.87Å; D440-Y442 VanDerWaalsContact OD1-C 3.23Å; D440-Y442 VanDerWaalsContact OD1-CA 3.25Å; D440-Y442 WeakPolarHBondContact OD1-CA 3.47Å; D440-Y442 VanDerWaalsContact OD1-CB 3.29Å; D440-Y442 WeakPolarHBondContact OD1-CB 3.46Å; D440-Y442 PolarHBondContact OD1-N 3.33Å; Y442-Q679 PolarHBondContact OH-NE2 3.14Å; Y442-Q679 VanDerWaalsContact OH-NE2 3.16Å; Y442-R680 VanDerWaalsContact CD1-NH2 3.26Å
443G70.2Confident80.3Confident2 Ų212.2 Ų12.22%0.0217%0.072CC..SBendtrans80.914.8-179.700000115.5I31 D440I31-G443 VanDerWaalsContact CD1-CA 3.48Å; D440-G443 PolarHBondContact O-N 3.38Å; D440-G443 VanDerWaalsContact O-N 3.08Å; D440-G443 PolarHBondContact OD1-N 2.89Å
444W77Confident80.3Confident2 Ų212.1 Ų12.11%0.0087%0.072CC..SBendtrans-92.7153.4173.2-69.3100.4000111.1R24 Y90 V152 G153 T439 D440 N446R24-W444 VanDerWaalsContact NE-CH2 3.28Å; Y90-W444 VanDerWaalsContact CB-CZ2 3.47Å; Y90-W444 AromaticContact CD2-CD2 3.71Å; Y90-W444 HydrophobicContact CD2-CD2 3.71Å; Y90-W444 AromaticContact CD2-CE2 3.71Å; Y90-W444 HydrophobicContact CD2-CE3 4.08Å; Y90-W444 HydrophobicContact CD2-CG 4.06Å; Y90-W444 HydrophobicContact CD2-CH2 4.25Å; Y90-W444 AromaticContact CD2-CZ2 3.99Å; Y90-W444 HydrophobicContact CD2-CZ2 3.99Å; Y90-W444 HydrophobicContact CD2-CZ3 4.34Å; Y90-W444 HydrophobicContact CE2-CD2 4.44Å; Y90-W444 HydrophobicContact CE2-CG 4.45Å; Y90-W444 HydrophobicContact CG-CZ2 4.24Å; Y90-W444 VanDerWaalsContact N-CZ2 3.27Å; V152-W444 HydrophobicContact CG1-CH2 4.3Å; V152-W444 HydrophobicContact CG1-CZ3 3.9Å; G153-W444 VanDerWaalsContact CA-CE3 3.42Å; T439-W444 CarbonylContact C-O 3.58Å; T439-W444 VanDerWaalsContact CA-O 3.25Å; T439-W444 WeakPolarHBondContact CA-O 3.47Å; D440-W444 PolarHBondContact N-O 3.28Å; D440-W444 PolarHBondContact OD1-N 3.4Å; W444-N446 PolarHBondContact O-N 3.23Å
445P79.7Confident80.4Confident20 Ų2016.3 Ų16.313%0.139%0.09CC..BIsolated β-bridgetrans-54.2128.8174.1-23.733.4000111.6V149 L150 G438V149-P445 HydrophobicContact CG1-CB 3.77Å; V149-P445 HydrophobicContact CG1-CG 4.26Å; L150-P445 HydrophobicContact CB-CG 4.48Å; G438-P445 WeakPolarHBondContact O-CA 3.46Å
446N82.1Confident80.4Confident2 Ų218.1 Ų18.11%0.01110%0.099CC..  trans-99-0.9-173.9686.7000114.4A435 G438 T439 D440 W444 A448 D449 A450 L630A435-N446 PolarHBondContact O-ND2 2.78Å; G438-N446 PolarHBondContact O-N 2.87Å; T439-N446 PolarHBondContact N-ND2 2.67Å; T439-N446 PolarHBondContact O-ND2 2.84Å; D440-N446 HydrophobicContact CB-CB 4Å; W444-N446 PolarHBondContact O-N 3.23Å; N446-A448 VanDerWaalsContact C-N 3.32Å; N446-A448 PolarHBondContact O-N 2.68Å; N446-D449 PolarHBondContact O-N 3.39Å; N446-A450 WeakPolarHBondContact O-CB 3.05Å; N446-A450 PolarHBondContact O-N 2.89Å; N446-L630 HydrophobicContact CB-CD2 3.8Å
447A86.2Confident80.8Confident1 Ų118.6 Ų18.61%0.00810%0.101CC..Hα-helixtrans-62.9-35.9-169.600000113.8V149 T451 L476 F479V149-A447 HydrophobicContact CG2-CB 3.65Å; A447-T451 WeakPolarHBondContact O-CB 3.37Å; A447-T451 PolarHBondContact O-N 3.21Å; A447-T451 PolarHBondContact O-OG1 2.7Å; A447-L476 HydrophobicContact CB-CD1 3.89Å; A447-F479 HydrophobicContact CB-CB 4.08Å; A447-F479 HydrophobicContact CB-CD1 3.65Å; A447-F479 HydrophobicContact CB-CD2 3.98Å; A447-F479 HydrophobicContact CB-CE1 4.09Å; A447-F479 HydrophobicContact CB-CE2 4.42Å; A447-F479 HydrophobicContact CB-CG 3.61Å; A447-F479 HydrophobicContact CB-CZ 4.49Å
448A83.8Confident81.5Confident26 Ų2622.4 Ų22.422%0.21512%0.118CC..Hα-helixtrans-65.1-46.3175.300000111.8Y154 N446 T451 A452Y154-A448 HydrophobicContact CD2-CB 4.01Å; Y154-A448 HydrophobicContact CE2-CB 3.72Å; N446-A448 VanDerWaalsContact C-N 3.32Å; N446-A448 PolarHBondContact O-N 2.68Å; A448-T451 PolarHBondContact O-N 3.39Å; A448-A452 PolarHBondContact O-N 3.21Å
449D81.6Confident82.2Confident30 Ų3022.3 Ų22.316%0.1612%0.117CC..Hα-helixtrans-63.7-46.9179.1-70.9-27.5000111.1N446 T451 A452 L453 R629 L630 Y686N446-D449 PolarHBondContact O-N 3.39Å; D449-T451 VanDerWaalsContact C-N 3.3Å; D449-T451 PolarHBondContact O-N 2.72Å; D449-A452 PolarHBondContact O-N 2.81Å; D449-L453 PolarHBondContact O-N 3.38Å; D449-R629 WeakPolarHBondContact OD2-CD 3.27Å; D449-R629 IonicContact OD2-NE 2.99Å; D449-R629 PolarHBondContact OD2-NE 3.3Å; D449-L630 HydrophobicContact CB-CD2 3.96Å; D449-Y686 WeakPolarHBondContact CB-OH 3.21Å; D449-Y686 PolarHBondContact O-OH 3.07Å
450A87Confident83.1Confident2 Ų222.7 Ų22.72%0.01712%0.118CC..Hα-helixtrans-61.2-38.5176.200000112.1N446 C454 L476 L480 L630N446-A450 WeakPolarHBondContact O-CB 3.05Å; N446-A450 PolarHBondContact O-N 2.89Å; A450-C454 PolarHBondContact O-N 2.95Å; A450-C454 PolarHBondContact O-SG 3.01Å; A450-C454 VanDerWaalsContact O-SG 3.4Å; A450-L476 HydrophobicContact CB-CD1 3.82Å; A450-L476 HydrophobicContact CB-CD2 4.45Å; A450-L480 HydrophobicContact CB-CD2 4.47Å; A450-L630 HydrophobicContact CB-CD2 4.21Å
451T88Confident83.9Confident7 Ų722.6 Ų22.64%0.04312%0.118CC..Hα-helixtrans-66.7-44.8176.1-580000111.5A447 A448 D449 L453 C454 Q455 F479 K483A447-T451 WeakPolarHBondContact O-CB 3.37Å; A447-T451 PolarHBondContact O-N 3.21Å; A447-T451 PolarHBondContact O-OG1 2.7Å; A448-T451 PolarHBondContact O-N 3.39Å; D449-T451 VanDerWaalsContact C-N 3.3Å; D449-T451 PolarHBondContact O-N 2.72Å; T451-L453 VanDerWaalsContact C-N 3.31Å; T451-L453 PolarHBondContact O-N 3.17Å; T451-C454 PolarHBondContact O-N 2.91Å; T451-Q455 HydrophobicContact CG2-CG 4.32Å; T451-Q455 WeakPolarHBondContact O-CB 3.35Å; T451-Q455 WeakPolarHBondContact O-CG 3.19Å; T451-Q455 PolarHBondContact O-N 2.86Å; T451-F479 VanDerWaalsContact OG1-CD1 3.25Å; T451-F479 WeakPolarHBondContact OG1-CD1 3.42Å; T451-F479 VanDerWaalsContact OG1-CE1 3.24Å; T451-F479 WeakPolarHBondContact OG1-CE1 3.41Å; T451-K483 HydrophobicContact CG2-CB 3.66Å; T451-K483 HydrophobicContact CG2-CG 4.24Å
452A86Confident85Confident32 Ų3219.9 Ų19.926%0.26411%0.106SC..Hα-helixtrans-58.5-45177.300000110.9A448 D449 C454 Q455 M456A448-A452 PolarHBondContact O-N 3.21Å; D449-A452 PolarHBondContact O-N 2.81Å; A452-C454 PolarHBondContact O-N 3.39Å; A452-Q455 PolarHBondContact O-N 3.3Å; A452-M456 WeakPolarHBondContact O-CE 3.36Å; A452-M456 PolarHBondContact O-N 3.32Å
453L85.8Confident86.1Confident0 Ų019.2 Ų19.20%010%0.103CC..Hα-helixtrans-57.5-49.4174.3175.459.5000112.2M433 D449 T451 Q455 M456 L457 I625 L630 I635 M670 Y686M433-L453 HydrophobicContact CE-CD2 4.43Å; D449-L453 PolarHBondContact O-N 3.38Å; T451-L453 VanDerWaalsContact C-N 3.31Å; T451-L453 PolarHBondContact O-N 3.17Å; L453-Q455 VanDerWaalsContact C-N 3.3Å; L453-Q455 PolarHBondContact O-N 3.12Å; L453-M456 PolarHBondContact O-N 2.84Å; L453-L457 HydrophobicContact CD1-CD1 3.63Å; L453-L457 HydrophobicContact CD1-CG 3.97Å; L453-L457 HydrophobicContact CG-CD1 3.81Å; L453-L457 WeakPolarHBondContact O-CB 3.4Å; L453-L457 WeakPolarHBondContact O-CG 3.42Å; L453-L457 PolarHBondContact O-N 3.37Å; L453-I625 HydrophobicContact CD1-CG2 4.19Å; L453-L630 HydrophobicContact CD2-CD1 3.83Å; L453-I635 HydrophobicContact CD2-CD1 3.51Å; L453-I635 HydrophobicContact CD2-CG2 4.27Å; L453-M670 HydrophobicContact CD1-CE 3.62Å; L453-M670 HydrophobicContact CD1-SD 4.17Å; L453-Y686 HydrophobicContact CB-CD1 4.45Å; L453-Y686 HydrophobicContact CB-CD2 4.36Å; L453-Y686 HydrophobicContact CB-CE1 4.09Å; L453-Y686 HydrophobicContact CB-CE2 3.94Å; L453-Y686 HydrophobicContact CD1-CD1 3.78Å; L453-Y686 HydrophobicContact CD1-CD2 4.04Å; L453-Y686 HydrophobicContact CD1-CE1 4.26Å; L453-Y686 HydrophobicContact CD1-CE2 4.46Å; L453-Y686 HydrophobicContact CD1-CG 3.66Å; L453-Y686 HydrophobicContact CD2-CD1 4.08Å; L453-Y686 HydrophobicContact CD2-CE1 3.97Å; L453-Y686 HydrophobicContact CG-CD1 4.33Å; L453-Y686 HydrophobicContact CG-CE1 4.34Å
454C89Confident87.1Confident0 Ų019.1 Ų19.10%010%0.102CC..Hα-helixtrans-63.8-34.6177.6-72.40000112.6M433 A450 T451 A452 L457 K458 P459 L480 L484M433-C454 VanDerWaalsContact CE-SG 3.55Å; A450-C454 PolarHBondContact O-N 2.95Å; A450-C454 PolarHBondContact O-SG 3.01Å; A450-C454 VanDerWaalsContact O-SG 3.4Å; T451-C454 PolarHBondContact O-N 2.91Å; A452-C454 PolarHBondContact O-N 3.39Å; C454-L457 PolarHBondContact O-N 3.48Å; C454-K458 WeakPolarHBondContact O-CA 3.33Å; C454-K458 PolarHBondContact O-N 2.88Å; C454-P459 HydrophobicContact CB-CG 4.3Å; C454-P459 WeakPolarHBondContact O-CD 3.42Å; C454-L480 HydrophobicContact CB-CD2 4.41Å; C454-L484 HydrophobicContact CB-CD1 3.71Å; C454-L484 HydrophobicContact CB-CD2 4.2Å
455Q87.1Confident87.5Confident105 Ų10519.1 Ų19.149%0.49110%0.102SC..Hα-helixtrans-66.4-37.1175.9-75.6175.3-22.900112.4T451 A452 L453 K458 L484T451-Q455 HydrophobicContact CG2-CG 4.32Å; T451-Q455 WeakPolarHBondContact O-CB 3.35Å; T451-Q455 WeakPolarHBondContact O-CG 3.19Å; T451-Q455 PolarHBondContact O-N 2.86Å; A452-Q455 PolarHBondContact O-N 3.3Å; L453-Q455 VanDerWaalsContact C-N 3.3Å; L453-Q455 PolarHBondContact O-N 3.12Å; Q455-K458 VanDerWaalsContact O-CG 3.26Å; Q455-K458 WeakPolarHBondContact O-CG 3.22Å; Q455-L484 HydrophobicContact CG-CD2 3.75Å
456M83.5Confident87.5Confident39 Ų3919.7 Ų19.719%0.19210%0.104CC..Hα-helixtrans-71.7-42.4174.5-70.6-179-6800111.9A452 L453 M670 Y686A452-M456 WeakPolarHBondContact O-CE 3.36Å; A452-M456 PolarHBondContact O-N 3.32Å; L453-M456 PolarHBondContact O-N 2.84Å; M456-M670 HydrophobicContact CB-CG 4.5Å; M456-M670 HydrophobicContact CB-SD 3.76Å; M456-M670 HydrophobicContact CE-SD 4.29Å; M456-M670 HydrophobicContact SD-SD 4.35Å; M456-Y686 HydrophobicContact CE-CD2 3.29Å; M456-Y686 HydrophobicContact CE-CE2 3.65Å; M456-Y686 HydrophobicContact CE-CG 4.35Å
457L85Confident87.4Confident11 Ų1119.9 Ų19.96%0.05810%0.104CC..Hα-helixtrans-73.9-31.4-179.4-75.4172.7000114L429 L453 C454 I625 V637 M670 M688L429-L457 WeakPolarHBondContact CD2-O 3.47Å; L453-L457 HydrophobicContact CD1-CD1 3.63Å; L453-L457 HydrophobicContact CD1-CG 3.97Å; L453-L457 HydrophobicContact CG-CD1 3.81Å; L453-L457 WeakPolarHBondContact O-CB 3.4Å; L453-L457 WeakPolarHBondContact O-CG 3.42Å; L453-L457 PolarHBondContact O-N 3.37Å; C454-L457 PolarHBondContact O-N 3.48Å; L457-I625 HydrophobicContact CD1-CD1 3.48Å; L457-I625 VanDerWaalsContact CD1-CD1 3.48Å; L457-I625 HydrophobicContact CD2-CD1 3.62Å; L457-I625 HydrophobicContact CG-CD1 4.07Å; L457-V637 HydrophobicContact CD1-CG1 3.9Å; L457-V637 HydrophobicContact CD2-CG1 4.26Å; L457-M670 HydrophobicContact CD2-CE 3.81Å; L457-M670 HydrophobicContact CD2-CG 4.29Å; L457-M670 HydrophobicContact CD2-SD 4.25Å; L457-M670 HydrophobicContact CG-CE 4.11Å; L457-M670 HydrophobicContact CG-SD 4.33Å; L457-M688 HydrophobicContact CD2-CE 3.83Å
458K88.5Confident86.6Confident112 Ų11220.3 Ų20.349%0.48711%0.106SC..  trans48.855-171.6-57.7170.9-174.2149.70112.5C454 Q455 D667C454-K458 WeakPolarHBondContact O-CA 3.33Å; C454-K458 PolarHBondContact O-N 2.88Å; Q455-K458 VanDerWaalsContact O-CG 3.26Å; Q455-K458 WeakPolarHBondContact O-CG 3.22Å; K458-D667 IonicContact NZ-OD2 3.75Å; K458-D667 PolarHBondContact NZ-OD2 3.17Å
459P91.4Very high85.7Confident0 Ų019.1 Ų19.10%010%0.097CC..  trans-67.7145.3179.331.4-33.9000110.9L429 A431 C454 V462 Y486L429-P459 HydrophobicContact CD2-CB 4.45Å; L429-P459 HydrophobicContact CG-CB 4.4Å; A431-P459 HydrophobicContact CB-CB 3.78Å; A431-P459 HydrophobicContact CB-CG 4.3Å; C454-P459 HydrophobicContact CB-CG 4.3Å; C454-P459 WeakPolarHBondContact O-CD 3.42Å; P459-V462 HydrophobicContact CB-CG2 3.9Å; P459-V462 HydrophobicContact CG-CG2 3.37Å; P459-Y486 WeakPolarHBondContact O-CE2 3.05Å; P459-Y486 PolarHBondContact O-OH 3.02Å; P459-Y486 VanDerWaalsContact O-OH 3.06Å
460D92.7Very high84.5Confident12 Ų1218.1 Ų18.16%0.0649%0.092CC..SBendtrans-82.2-34174-65.8-60.2000111.4F428 L429 R506 Y507F428-D460 WeakPolarHBondContact CA-OD2 3.09Å; F428-D460 HydrophobicContact CB-CB 4.15Å; L429-D460 PolarHBondContact N-OD2 2.9Å; L429-D460 PolarHBondContact O-N 2.78Å; D460-R506 WeakPolarHBondContact O-CB 3.32Å; D460-R506 PolarHBondContact O-N 3.24Å; D460-Y507 HydrophobicContact CB-CD2 4.14Å; D460-Y507 HydrophobicContact CB-CE2 3.78Å
461V94.6Very high83.1Confident0 Ų019 Ų190%010%0.095CC..EExtended strand (participates in β ladder)trans-134.9129175.6-177.10000109.4L429 L430 A431 L463 V503 V529 I531 I538L429-V461 PolarHBondContact O-N 3.19Å; L429-V461 VanDerWaalsContact O-N 3.11Å; L430-V461 CarbonylContact C-O 3.55Å; L430-V461 WeakPolarHBondContact CA-O 3.46Å; L430-V461 HydrophobicContact CD1-CB 3.89Å; L430-V461 HydrophobicContact CD1-CG1 3.89Å; A431-V461 PolarHBondContact N-O 3.49Å; V461-L463 HydrophobicContact CG1-CD2 3.88Å; V461-V503 HydrophobicContact CG1-CG1 3.94Å; V461-V529 HydrophobicContact CG2-CG1 4.43Å; V461-I531 HydrophobicContact CG2-CD1 3.95Å; V461-I538 HydrophobicContact CG1-CD1 3.87Å
462V94.6Very high81.4Confident0 Ų018.9 Ų18.90%09%0.094CC..EExtended strand (participates in β ladder)trans-113.9120175.7-173.90000109A431 M433 P459 L464 V503 V504A431-V462 HydrophobicContact CB-CG2 4.4Å; A431-V462 CarbonylContact O-C 3.52Å; A431-V462 WeakPolarHBondContact O-CA 3.22Å; M433-V462 HydrophobicContact CE-CG1 3.95Å; M433-V462 HydrophobicContact CG-CG1 4.34Å; M433-V462 HydrophobicContact SD-CG1 4.28Å; P459-V462 HydrophobicContact CB-CG2 3.9Å; P459-V462 HydrophobicContact CG-CG2 3.37Å; V462-L464 HydrophobicContact CG1-CD2 3.78Å; V462-L464 HydrophobicContact CG1-CG 4.18Å; V462-V503 WeakPolarHBondContact O-CA 3.21Å; V462-V504 HydrophobicContact CB-CB 4.3Å; V462-V504 PolarHBondContact N-O 2.92Å; V462-V504 PolarHBondContact O-N 2.97Å
463L94.5Very high80.4Confident0 Ų017.7 Ų17.70%09%0.085CC..EExtended strand (participates in β ladder)trans-99.8121.7173.9-52.1-178.8000108.8L430 A431 L432 M433 V461 V503 I538 I540 A576L430-L463 HydrophobicContact CD1-CD1 3.78Å; L430-L463 HydrophobicContact CD1-CD2 4.32Å; L430-L463 HydrophobicContact CD1-CG 3.78Å; L430-L463 HydrophobicContact CD2-CD1 4.21Å; L430-L463 HydrophobicContact CG-CD1 4.32Å; A431-L463 PolarHBondContact O-N 3.11Å; L432-L463 HydrophobicContact CD1-CB 3.76Å; L432-L463 HydrophobicContact CD1-CD1 4.33Å; M433-L463 PolarHBondContact N-O 3.27Å; V461-L463 HydrophobicContact CG1-CD2 3.88Å; L463-V503 HydrophobicContact CD2-CB 4.47Å; L463-V503 HydrophobicContact CD2-CG1 4.06Å; L463-V503 HydrophobicContact CD2-CG2 3.78Å; L463-I538 HydrophobicContact CD1-CG2 3.86Å; L463-I538 HydrophobicContact CD2-CG2 4.03Å; L463-I540 HydrophobicContact CD1-CG1 4.28Å; L463-I540 HydrophobicContact CD2-CD1 3.81Å; L463-I540 HydrophobicContact CD2-CG1 4.18Å; L463-A576 HydrophobicContact CD1-CB 3.47Å; L463-A576 VanDerWaalsContact CD1-CB 3.47Å
464L90.5Very high79.8Confident0 Ų017.9 Ų17.90%09%0.087CC..EExtended strand (participates in β ladder)trans-110.1126.9-179.1-58.2172.8000109.7M433 V462 T467 L476 P477 L480 I501 A502 V504M433-L464 HydrophobicContact CG-CD2 3.46Å; M433-L464 VanDerWaalsContact CG-CD2 3.46Å; M433-L464 WeakPolarHBondContact O-CA 3.45Å; M433-L464 HydrophobicContact SD-CD2 3.83Å; V462-L464 HydrophobicContact CG1-CD2 3.78Å; V462-L464 HydrophobicContact CG1-CG 4.18Å; L464-T467 HydrophobicContact CB-CG2 3.38Å; L464-T467 HydrophobicContact CD1-CG2 4.41Å; L464-L476 HydrophobicContact CD1-CG 4.48Å; L464-L476 HydrophobicContact CD2-CD2 4.21Å; L464-P477 HydrophobicContact CD1-CB 4.33Å; L464-P477 HydrophobicContact CD1-CG 3.97Å; L464-L480 HydrophobicContact CD1-CD1 3.91Å; L464-L480 HydrophobicContact CD2-CD1 3.95Å; L464-I501 WeakPolarHBondContact O-CA 3.4Å; L464-A502 HydrophobicContact CB-CB 4.34Å; L464-A502 HydrophobicContact CD1-CB 4.41Å; L464-A502 PolarHBondContact N-O 2.84Å; L464-A502 PolarHBondContact O-N 3.44Å; L464-V504 HydrophobicContact CD1-CG2 4.09Å
465L86.6Confident79.4Confident2 Ų217.9 Ų17.91%0.019%0.087CC..EExtended strand (participates in β ladder)trans-105163.4168.3-55.7175000109.7L432 M433 T434 A435 T467 G500 I501 I540 N578 M610L432-L465 HydrophobicContact CD1-CD1 4.18Å; L432-L465 HydrophobicContact CD1-CG 4.28Å; M433-L465 PolarHBondContact O-N 3.31Å; M433-L465 VanDerWaalsContact O-N 3.08Å; T434-L465 CarbonylContact C-O 3.52Å; T434-L465 WeakPolarHBondContact CA-O 3.38Å; T434-L465 HydrophobicContact CG2-CB 4.33Å; A435-L465 WeakPolarHBondContact CB-O 3.48Å; A435-L465 PolarHBondContact N-O 3.44Å; L465-T467 VanDerWaalsContact C-N 3.28Å; L465-T467 PolarHBondContact O-N 3.28Å; L465-G500 CarbonylContact C-O 3.52Å; L465-G500 VanDerWaalsContact C-O 3.3Å; L465-G500 WeakPolarHBondContact CA-O 3.33Å; L465-I501 HydrophobicContact CD2-CG1 4.38Å; L465-I540 HydrophobicContact CD2-CG2 3.71Å; L465-N578 HydrophobicContact CD1-CB 4.05Å; L465-M610 HydrophobicContact CD1-CE 4.42Å
466E79.6Confident79.4Confident33 Ų3313 Ų1315%0.1546%0.064CC..  trans58.736.4179.2-62174-179.200113.7H437 E468 G500 Y544H437-E466 WeakPolarHBondContact CA-O 3.21Å; H437-E466 PolarHBondContact N-O 3.3Å; H437-E466 VanDerWaalsContact N-O 3.13Å; E466-E468 VanDerWaalsContact CA-OE2 3.3Å; E466-E468 WeakPolarHBondContact CA-OE2 3.24Å; E466-E468 PolarHBondContact O-N 2.91Å; E466-G500 PolarHBondContact N-O 2.89Å; E466-Y544 WeakPolarHBondContact CG-OH 3.37Å; E466-Y544 PolarHBondContact OE1-OH 2.8Å
467T79.9Confident79.6Confident5 Ų511.1 Ų11.13%0.0316%0.055CC..  trans-82.10.6-17665.30000114.3R219 A435 L464 L465 P477 G500 I501 A502R219-T467 PolarHBondContact NH1-O 3.39Å; A435-T467 HydrophobicContact CB-CG2 3.96Å; L464-T467 HydrophobicContact CB-CG2 3.38Å; L464-T467 HydrophobicContact CD1-CG2 4.41Å; L465-T467 VanDerWaalsContact C-N 3.28Å; L465-T467 PolarHBondContact O-N 3.28Å; T467-P477 HydrophobicContact CG2-CG 4.11Å; T467-G500 PolarHBondContact N-O 3.21Å; T467-G500 PolarHBondContact OG1-O 3.07Å; T467-I501 PolarHBondContact OG1-N 3.37Å; T467-A502 HydrophobicContact CG2-CB 3.86Å
468E69.2Low79.8Confident10 Ų1010.7 Ų10.75%0.0475%0.053CC..  trans-67.2130.4175.864.8-73.6171.100111.6H437 E466 V470 P494 N498 G500H437-E468 WeakPolarHBondContact CB-O 3.46Å; H437-E468 IonicContact CE1-OE1 2.73Å; H437-E468 PolarHBondContact CE1-OE1 3.47Å; H437-E468 IonicContact ND1-OE1 3.46Å; H437-E468 PolarHBondContact ND1-OE1 3.46Å; E466-E468 VanDerWaalsContact CA-OE2 3.3Å; E466-E468 WeakPolarHBondContact CA-OE2 3.24Å; E466-E468 PolarHBondContact O-N 2.91Å; E468-V470 HydrophobicContact CB-CG2 4.49Å; E468-P494 HydrophobicContact CB-CB 3.9Å; E468-P494 HydrophobicContact CB-CG 4.1Å; E468-N498 VanDerWaalsContact OE1-O 3.11Å; E468-G500 VanDerWaalsContact OE2-CA 3.23Å; E468-G500 WeakPolarHBondContact OE2-CA 3.18Å; E468-G500 PolarHBondContact OE2-N 2.9Å
469N63.9Low79.9Confident2 Ų25.5 Ų5.51%0.0113%0.03CC..  trans-117.542.9-175.6-173.412.4000111.3M216 Y471 G472 G473M216-N469 HydrophobicContact CE-CB 3.67Å; M216-N469 WeakPolarHBondContact CE-ND2 3.41Å; M216-N469 HydrophobicContact SD-CB 3.54Å; M216-N469 VanDerWaalsContact SD-CB 3.54Å; N469-Y471 PolarHBondContact O-N 3.42Å; N469-Y471 VanDerWaalsContact O-N 3.08Å; N469-G472 PolarHBondContact OD1-N 3.39Å; N469-G473 PolarHBondContact ND2-O 3.02Å; N469-G473 WeakPolarHBondContact OD1-CA 3.02Å; N469-G473 PolarHBondContact OD1-N 3.03Å; N469-G473 PolarHBondContact OD1-O 2.71Å
470V56.3Low79.9Confident9 Ų95.5 Ų5.56%0.0553%0.03CC..THydrogen-bonded Turntrans-61.4-19.1177.6-176.20000111.6I328 L331 E468 P494I328-V470 HydrophobicContact CG1-CG1 4.02Å; L331-V470 HydrophobicContact CD1-CB 4.3Å; L331-V470 HydrophobicContact CD1-CG1 3.38Å; L331-V470 HydrophobicContact CD1-CG2 3.87Å; E468-V470 HydrophobicContact CB-CG2 4.49Å; V470-P494 HydrophobicContact CG2-CB 3.66Å
471Y57.8Low79.8Confident20 Ų205 Ų58%0.0783%0.027CC..THydrogen-bonded Turntrans-107.523.8-168.3-43.2-79.1000114.3S27 C30 Y208 I328 R332 H437 N469 G473S27-Y471 PolarHBondContact OG-O 3.05Å; C30-Y471 HydrophobicContact CB-CD2 4.49Å; C30-Y471 HydrophobicContact CB-CG 4.45Å; C30-Y471 WeakPolarHBondContact SG-CB 3.33Å; C30-Y471 WeakPolarHBondContact SG-CD1 3.3Å; Y208-Y471 PolarHBondContact OH-O 2.76Å; I328-Y471 HydrophobicContact CB-CE1 4.33Å; I328-Y471 HydrophobicContact CD1-CD1 3.76Å; I328-Y471 HydrophobicContact CD1-CE1 3.53Å; I328-Y471 HydrophobicContact CG1-CD1 4.05Å; I328-Y471 HydrophobicContact CG1-CE1 3.6Å; I328-Y471 HydrophobicContact CG2-CE1 3.73Å; R332-Y471 PolarHBondContact NH2-OH 3.17Å; H437-Y471 HydrophobicContact CB-CD2 4.15Å; H437-Y471 HydrophobicContact CB-CE2 4.47Å; N469-Y471 PolarHBondContact O-N 3.42Å; N469-Y471 VanDerWaalsContact O-N 3.08Å; Y471-G473 PolarHBondContact O-N 2.88Å
472G53.6Low79.7Confident4 Ų46.2 Ų6.24%0.0413%0.033CC..SBendtrans67.815.7174.100000115.5R143 N469R143-G472 PolarHBondContact NH1-O 3.13Å; R143-G472 PolarHBondContact NH2-O 2.94Å; N469-G472 PolarHBondContact OD1-N 3.39Å
473G63.9Low79.5Confident7 Ų711.3 Ų11.37%0.0726%0.055CC..  trans-66.3-165.6168.200000112.8N469 Y471N469-G473 PolarHBondContact ND2-O 3.02Å; N469-G473 WeakPolarHBondContact OD1-CA 3.02Å; N469-G473 PolarHBondContact OD1-N 3.03Å; N469-G473 PolarHBondContact OD1-O 2.71Å; Y471-G473 PolarHBondContact O-N 2.88Å
474S72.6Confident79.4Confident4 Ų412 Ų123%0.0286%0.059CC..  trans-96.8143.8-179.154.50000112.8S148 G438 L476S148-S474 WeakPolarHBondContact OG-CA 3.14Å; G438-S474 PolarHBondContact O-OG 3.06Å; S474-L476 VanDerWaalsContact C-N 3.28Å; S474-L476 PolarHBondContact O-N 2.86Å
475D82.2Confident79.4Confident0 Ų013.6 Ų13.60%07%0.067CC..  trans-71.379.8170.6-167.64.8000111.7S148 R219 P234 P477 T478 F479S148-D475 PolarHBondContact OG-N 3.33Å; R219-D475 WeakPolarHBondContact CD-OD1 3.35Å; R219-D475 VanDerWaalsContact CD-OD2 3.3Å; R219-D475 WeakPolarHBondContact CD-OD2 3.39Å; R219-D475 IonicContact CZ-OD1 2.84Å; R219-D475 IonicContact NE-OD1 3.51Å; R219-D475 PolarHBondContact NE-OD1 3.04Å; R219-D475 IonicContact NH1-OD1 3.38Å; R219-D475 PolarHBondContact NH1-OD1 3.33Å; P234-D475 WeakPolarHBondContact CG-OD2 3.4Å; D475-P477 WeakPolarHBondContact OD1-CD 3.42Å; D475-T478 PolarHBondContact O-N 2.91Å; D475-T478 PolarHBondContact OD2-OG1 3.46Å; D475-F479 WeakPolarHBondContact O-CB 3.5Å; D475-F479 PolarHBondContact O-N 2.83Å
476L85.8Confident79.7Confident3 Ų314 Ų142%0.0167%0.069CC..Hα-helixtrans-57-42.4-175.9-176.167000113.5A435 A447 A450 L464 S474 F479 L480A435-L476 HydrophobicContact CB-CB 4.4Å; A435-L476 HydrophobicContact CB-CD2 3.45Å; A435-L476 VanDerWaalsContact CB-CD2 3.45Å; A447-L476 HydrophobicContact CB-CD1 3.89Å; A450-L476 HydrophobicContact CB-CD1 3.82Å; A450-L476 HydrophobicContact CB-CD2 4.45Å; L464-L476 HydrophobicContact CD1-CG 4.48Å; L464-L476 HydrophobicContact CD2-CD2 4.21Å; S474-L476 VanDerWaalsContact C-N 3.28Å; S474-L476 PolarHBondContact O-N 2.86Å; L476-F479 PolarHBondContact O-N 2.87Å; L476-L480 HydrophobicContact CD1-CD1 3.95Å; L476-L480 HydrophobicContact CD1-CG 3.9Å; L476-L480 HydrophobicContact CD2-CD1 4.26Å; L476-L480 HydrophobicContact CG-CD1 3.8Å; L476-L480 HydrophobicContact CG-CG 4.18Å; L476-L480 WeakPolarHBondContact O-CB 3.35Å; L476-L480 PolarHBondContact O-N 3.32Å
477P88.8Confident80.2Confident0 Ų013.1 Ų13.10%06%0.064CC..Hα-helixtrans-56.8-48.8175.6-27.335.3000113.9L464 T467 D475 F479 G481 I488 Y490 A502L464-P477 HydrophobicContact CD1-CB 4.33Å; L464-P477 HydrophobicContact CD1-CG 3.97Å; T467-P477 HydrophobicContact CG2-CG 4.11Å; D475-P477 WeakPolarHBondContact OD1-CD 3.42Å; P477-F479 VanDerWaalsContact C-N 3.33Å; P477-F479 PolarHBondContact O-N 3.43Å; P477-G481 PolarHBondContact O-N 3.02Å; P477-I488 HydrophobicContact CB-CG2 4.21Å; P477-Y490 HydrophobicContact CB-CD1 4.25Å; P477-Y490 HydrophobicContact CB-CE1 4.36Å; P477-A502 HydrophobicContact CB-CB 3.88Å; P477-A502 HydrophobicContact CG-CB 3.49Å; P477-A502 VanDerWaalsContact CG-CB 3.49Å
478T89Confident80.7Confident2 Ų213.5 Ų13.51%0.0127%0.066CC..Hα-helixtrans-62.7-42.7175.6-57.70000111.1T147 P234 D475 G481 E482 Y490T147-T478 HydrophobicContact CG2-CG2 3.56Å; P234-T478 HydrophobicContact CB-CG2 4.25Å; D475-T478 PolarHBondContact O-N 2.91Å; D475-T478 PolarHBondContact OD2-OG1 3.46Å; T478-G481 PolarHBondContact O-N 3.43Å; T478-E482 HydrophobicContact CG2-CG 4.24Å; T478-E482 VanDerWaalsContact CG2-OE1 3.29Å; T478-E482 WeakPolarHBondContact CG2-OE1 3.17Å; T478-E482 WeakPolarHBondContact O-CB 3.4Å; T478-E482 WeakPolarHBondContact O-CG 3.46Å; T478-E482 PolarHBondContact O-N 2.98Å; T478-Y490 WeakPolarHBondContact OG1-CE1 3.37Å; T478-Y490 PolarHBondContact OG1-OH 3.47Å
479F90.6Very high81.6Confident3 Ų313.2 Ų13.21%0.0136%0.064CC..Hα-helixtrans-60.7-49.5-179.2-163-81.1000112.1T147 V149 Y154 A447 T451 D475 L476 P477 K483T147-F479 VanDerWaalsContact CG2-CA 3.46Å; T147-F479 HydrophobicContact CG2-CB 3.99Å; T147-F479 HydrophobicContact CG2-CD2 4Å; T147-F479 HydrophobicContact CG2-CG 4.37Å; V149-F479 HydrophobicContact CB-CE2 4.44Å; V149-F479 HydrophobicContact CG2-CD2 3.47Å; V149-F479 VanDerWaalsContact CG2-CD2 3.47Å; V149-F479 HydrophobicContact CG2-CE2 3.64Å; V149-F479 HydrophobicContact CG2-CG 4.35Å; Y154-F479 HydrophobicContact CD2-CZ 4.5Å; Y154-F479 HydrophobicContact CE2-CE2 4.13Å; Y154-F479 AromaticContact CE2-CZ 3.6Å; Y154-F479 HydrophobicContact CE2-CZ 3.6Å; A447-F479 HydrophobicContact CB-CB 4.08Å; A447-F479 HydrophobicContact CB-CD1 3.65Å; A447-F479 HydrophobicContact CB-CD2 3.98Å; A447-F479 HydrophobicContact CB-CE1 4.09Å; A447-F479 HydrophobicContact CB-CE2 4.42Å; A447-F479 HydrophobicContact CB-CG 3.61Å; A447-F479 HydrophobicContact CB-CZ 4.49Å; T451-F479 VanDerWaalsContact OG1-CD1 3.25Å; T451-F479 WeakPolarHBondContact OG1-CD1 3.42Å; T451-F479 VanDerWaalsContact OG1-CE1 3.24Å; T451-F479 WeakPolarHBondContact OG1-CE1 3.41Å; D475-F479 WeakPolarHBondContact O-CB 3.5Å; D475-F479 PolarHBondContact O-N 2.83Å; L476-F479 PolarHBondContact O-N 2.87Å; P477-F479 VanDerWaalsContact C-N 3.33Å; P477-F479 PolarHBondContact O-N 3.43Å; F479-K483 HydrophobicContact CD1-CG 3.95Å; F479-K483 HydrophobicContact CE1-CD 4.49Å; F479-K483 HydrophobicContact CE1-CG 3.62Å; F479-K483 HydrophobicContact CZ-CG 4.03Å; F479-K483 WeakPolarHBondContact O-CB 3.32Å; F479-K483 VanDerWaalsContact O-CG 3.25Å; F479-K483 WeakPolarHBondContact O-CG 3.18Å; F479-K483 PolarHBondContact O-N 2.61Å
480L91.5Very high82.5Confident0 Ų014.3 Ų14.30%07%0.069CC..Hα-helixtrans-65.4-46.1178.7-75.7173.9000111.9A450 C454 L464 L476 E482 K483 L484 V504A450-L480 HydrophobicContact CB-CD2 4.47Å; C454-L480 HydrophobicContact CB-CD2 4.41Å; L464-L480 HydrophobicContact CD1-CD1 3.91Å; L464-L480 HydrophobicContact CD2-CD1 3.95Å; L476-L480 HydrophobicContact CD1-CD1 3.95Å; L476-L480 HydrophobicContact CD1-CG 3.9Å; L476-L480 HydrophobicContact CD2-CD1 4.26Å; L476-L480 HydrophobicContact CG-CD1 3.8Å; L476-L480 HydrophobicContact CG-CG 4.18Å; L476-L480 WeakPolarHBondContact O-CB 3.35Å; L476-L480 PolarHBondContact O-N 3.32Å; L480-E482 PolarHBondContact O-N 2.87Å; L480-K483 PolarHBondContact O-N 2.82Å; L480-L484 HydrophobicContact CD2-CD1 4.3Å; L480-L484 VanDerWaalsContact O-CB 3.27Å; L480-L484 WeakPolarHBondContact O-CB 3.39Å; L480-L484 VanDerWaalsContact O-CG 3.32Å; L480-L484 WeakPolarHBondContact O-CG 3.29Å; L480-L484 PolarHBondContact O-N 3.27Å; L480-V504 HydrophobicContact CB-CG1 4.45Å; L480-V504 HydrophobicContact CB-CG2 4.28Å
481G90.6Very high83.6Confident0 Ų014 Ų140%07%0.068CC..Hα-helixtrans-61.8-42.5-179.200000113.2W413 P477 T478 N485 Y486W413-G481 PolarHBondContact NE1-O 2.64Å; P477-G481 PolarHBondContact O-N 3.02Å; T478-G481 PolarHBondContact O-N 3.43Å; G481-N485 CarbonylContact O-C 3.54Å; G481-N485 VanDerWaalsContact O-CA 3.23Å; G481-N485 WeakPolarHBondContact O-CA 3.37Å; G481-N485 PolarHBondContact O-N 3.45Å; G481-Y486 PolarHBondContact O-N 3.12Å
482E91.3Very high84.3Confident27 Ų2713.2 Ų13.213%0.1266%0.064CC..Hα-helixtrans-70.4-42.6176.9-71.7-178.5-173.700112.8T147 N235 R409 W413 T478 L480 N485T147-E482 PolarHBondContact OG1-OE2 3.4Å; N235-E482 WeakPolarHBondContact CB-OE1 3.36Å; N235-E482 PolarHBondContact ND2-OE1 3.44Å; R409-E482 IonicContact CZ-OE1 3.31Å; R409-E482 IonicContact CZ-OE2 3.72Å; R409-E482 VanDerWaalsContact CZ-OE2 3.24Å; R409-E482 IonicContact NE-OE1 2.6Å; R409-E482 IonicContact NE-OE2 2.87Å; R409-E482 PolarHBondContact NE-OE2 2.9Å; R409-E482 IonicContact NH2-OE1 2.76Å; R409-E482 PolarHBondContact NH2-OE1 3.26Å; R409-E482 IonicContact NH2-OE2 3.79Å; R409-E482 PolarHBondContact NH2-OE2 2.98Å; W413-E482 HydrophobicContact CB-CG 4.23Å; W413-E482 HydrophobicContact CG-CG 4.12Å; T478-E482 HydrophobicContact CG2-CG 4.24Å; T478-E482 VanDerWaalsContact CG2-OE1 3.29Å; T478-E482 WeakPolarHBondContact CG2-OE1 3.17Å; T478-E482 WeakPolarHBondContact O-CB 3.4Å; T478-E482 WeakPolarHBondContact O-CG 3.46Å; T478-E482 PolarHBondContact O-N 2.98Å; L480-E482 PolarHBondContact O-N 2.87Å; E482-N485 PolarHBondContact O-N 3.23Å
483K91.5Very high84.8Confident107 Ų10713 Ų1347%0.4656%0.063SC..Hα-helixtrans-72.9-32-177.5-70.3-63-176.8-173.90113.7T451 F479 L480T451-K483 HydrophobicContact CG2-CB 3.66Å; T451-K483 HydrophobicContact CG2-CG 4.24Å; F479-K483 HydrophobicContact CD1-CG 3.95Å; F479-K483 HydrophobicContact CE1-CD 4.49Å; F479-K483 HydrophobicContact CE1-CG 3.62Å; F479-K483 HydrophobicContact CZ-CG 4.03Å; F479-K483 WeakPolarHBondContact O-CB 3.32Å; F479-K483 VanDerWaalsContact O-CG 3.25Å; F479-K483 WeakPolarHBondContact O-CG 3.18Å; F479-K483 PolarHBondContact O-N 2.61Å; L480-K483 PolarHBondContact O-N 2.82Å
484L91.2Very high84.6Confident15 Ų1512.8 Ų12.88%0.0796%0.06CC..Hα-helixtrans-89.7-12.4176.2-60.1173.5000112.6Q418 C454 Q455 L480 Y486Q418-L484 PolarHBondContact NE2-O 2.95Å; Q418-L484 PolarHBondContact OE1-O 3.46Å; C454-L484 HydrophobicContact CB-CD1 3.71Å; C454-L484 HydrophobicContact CB-CD2 4.2Å; Q455-L484 HydrophobicContact CG-CD2 3.75Å; L480-L484 HydrophobicContact CD2-CD1 4.3Å; L480-L484 VanDerWaalsContact O-CB 3.27Å; L480-L484 WeakPolarHBondContact O-CB 3.39Å; L480-L484 VanDerWaalsContact O-CG 3.32Å; L480-L484 WeakPolarHBondContact O-CG 3.29Å; L480-L484 PolarHBondContact O-N 3.27Å; L484-Y486 HydrophobicContact CB-CD1 3.84Å; L484-Y486 HydrophobicContact CB-CD2 4.02Å; L484-Y486 HydrophobicContact CB-CE1 3.97Å; L484-Y486 HydrophobicContact CB-CE2 4.14Å; L484-Y486 HydrophobicContact CB-CG 3.84Å; L484-Y486 HydrophobicContact CD1-CD2 4.1Å; L484-Y486 HydrophobicContact CD1-CE2 4.01Å; L484-Y486 VanDerWaalsContact O-CD1 3.22Å; L484-Y486 WeakPolarHBondContact O-CD1 3.41Å; L484-Y486 WeakPolarHBondContact O-CE1 3.08Å
485N92Very high84Confident32 Ų3213.7 Ų13.717%0.1716%0.062CC..THydrogen-bonded Turntrans62.839.8-171.4-163.344.6000113.8N414 P415 Q418 G481 E482N414-N485 PolarHBondContact N-OD1 2.79Å; N414-N485 PolarHBondContact O-ND2 2.93Å; N414-N485 PolarHBondContact O-OD1 3.33Å; P415-N485 VanDerWaalsContact CA-O 3.32Å; P415-N485 WeakPolarHBondContact CA-O 3.13Å; P415-N485 WeakPolarHBondContact CB-O 3.14Å; Q418-N485 PolarHBondContact OE1-O 3.18Å; G481-N485 CarbonylContact O-C 3.54Å; G481-N485 VanDerWaalsContact O-CA 3.23Å; G481-N485 WeakPolarHBondContact O-CA 3.37Å; G481-N485 PolarHBondContact O-N 3.45Å; E482-N485 PolarHBondContact O-N 3.23Å
486Y92.3Very high82.9Confident12 Ų1214.8 Ų14.85%0.0477%0.068CC..  trans-101.2160.5-176-74.69.8000111.9W413 Q418 P459 G481 L484 V504 S505 R506W413-Y486 PolarHBondContact NE1-O 3.02Å; Q418-Y486 VanDerWaalsContact OE1-CD1 3.32Å; P459-Y486 WeakPolarHBondContact O-CE2 3.05Å; P459-Y486 PolarHBondContact O-OH 3.02Å; P459-Y486 VanDerWaalsContact O-OH 3.06Å; G481-Y486 PolarHBondContact O-N 3.12Å; L484-Y486 HydrophobicContact CB-CD1 3.84Å; L484-Y486 HydrophobicContact CB-CD2 4.02Å; L484-Y486 HydrophobicContact CB-CE1 3.97Å; L484-Y486 HydrophobicContact CB-CE2 4.14Å; L484-Y486 HydrophobicContact CB-CG 3.84Å; L484-Y486 HydrophobicContact CD1-CD2 4.1Å; L484-Y486 HydrophobicContact CD1-CE2 4.01Å; L484-Y486 VanDerWaalsContact O-CD1 3.22Å; L484-Y486 WeakPolarHBondContact O-CD1 3.41Å; L484-Y486 WeakPolarHBondContact O-CE1 3.08Å; Y486-V504 HydrophobicContact CD2-CG1 3.97Å; Y486-V504 HydrophobicContact CG-CG1 4.23Å; Y486-S505 CarbonylContact C-O 3.55Å; Y486-S505 WeakPolarHBondContact CB-O 2.87Å; Y486-R506 HydrophobicContact CD1-CB 3.95Å; Y486-R506 HydrophobicContact CD1-CG 4.15Å; Y486-R506 HydrophobicContact CD2-CB 4.23Å; Y486-R506 HydrophobicContact CE1-CB 3.71Å; Y486-R506 HydrophobicContact CE1-CG 3.73Å; Y486-R506 HydrophobicContact CE2-CB 4.01Å; Y486-R506 HydrophobicContact CG-CB 4.23Å
487Y91.3Very high81.5Confident14 Ų1414.8 Ų14.86%0.0557%0.068CC..EExtended strand (participates in β ladder)trans-67.8147.2167.6-61.8-86.5000110.6P415 D416 Q419 V504 S505 Y507 P508P415-Y487 HydrophobicContact CB-CD1 3.96Å; P415-Y487 HydrophobicContact CB-CD2 3.97Å; P415-Y487 HydrophobicContact CB-CE1 3.9Å; P415-Y487 HydrophobicContact CB-CE2 3.92Å; P415-Y487 HydrophobicContact CB-CG 3.99Å; P415-Y487 HydrophobicContact CG-CD1 3.8Å; P415-Y487 HydrophobicContact CG-CE1 3.75Å; P415-Y487 HydrophobicContact CG-CG 4.28Å; D416-Y487 WeakPolarHBondContact CA-OH 3.39Å; D416-Y487 WeakPolarHBondContact OD1-CE1 3.32Å; D416-Y487 VanDerWaalsContact OD1-CZ 3.31Å; D416-Y487 PolarHBondContact OD1-OH 3.25Å; Q419-Y487 PolarHBondContact NE2-OH 3.1Å; Y487-V504 CarbonylContact O-C 2.96Å; Y487-V504 VanDerWaalsContact O-CA 3.32Å; Y487-V504 WeakPolarHBondContact O-CA 3.48Å; Y487-S505 WeakPolarHBondContact CA-O 3.43Å; Y487-S505 WeakPolarHBondContact CB-O 3.28Å; Y487-S505 WeakPolarHBondContact CD2-O 3.41Å; Y487-S505 PolarHBondContact N-O 3.26Å; Y487-S505 PolarHBondContact O-N 3.28Å; Y487-Y507 VanDerWaalsContact CD2-O 3.26Å; Y487-Y507 WeakPolarHBondContact CD2-O 3.35Å; Y487-P508 HydrophobicContact CE2-CB 4.26Å; Y487-P508 HydrophobicContact CE2-CG 3.86Å
488I89.6Confident80Confident12 Ų1215.5 Ų15.56%0.0627%0.072CC..EExtended strand (participates in β ladder)trans-125.9129.4-175.1-49.5171.1000108.8W413 P477 Y490W413-I488 HydrophobicContact CH2-CD1 4.46Å; W413-I488 HydrophobicContact CZ2-CD1 3.81Å; W413-I488 HydrophobicContact CZ2-CG1 3.97Å; P477-I488 HydrophobicContact CB-CG2 4.21Å; I488-Y490 HydrophobicContact CG2-CD1 4.14Å; I488-Y490 HydrophobicContact CG2-CD2 4.29Å; I488-Y490 HydrophobicContact CG2-CE1 3.87Å; I488-Y490 HydrophobicContact CG2-CE2 4.01Å; I488-Y490 HydrophobicContact CG2-CG 4.34Å
489D88.7Confident78.7Confident4 Ų415.4 Ų15.42%0.0217%0.071CC..EExtended strand (participates in β ladder)trans-116.2113.7160.8178.99.3000108.5G491 A502 V503 I509 S512 Y514D489-G491 PolarHBondContact O-N 3.5Å; D489-G491 PolarHBondContact OD1-N 3.19Å; D489-A502 CarbonylContact O-C 3.53Å; D489-A502 VanDerWaalsContact O-CA 3.3Å; D489-A502 WeakPolarHBondContact O-CA 3.49Å; D489-A502 WeakPolarHBondContact O-CB 3.28Å; D489-V503 HydrophobicContact CB-CB 4.32Å; D489-V503 PolarHBondContact N-O 2.9Å; D489-V503 PolarHBondContact O-N 2.85Å; D489-I509 HydrophobicContact CB-CD1 3.6Å; D489-S512 WeakPolarHBondContact OD2-CB 3.44Å; D489-Y514 PolarHBondContact OD1-OH 2.89Å; D489-Y514 WeakPolarHBondContact OD2-CE2 3.15Å; D489-Y514 PolarHBondContact OD2-OH 3.48Å
490Y83.1Confident77.9Confident26 Ų2615.2 Ų15.210%0.1027%0.071CC..  trans-71-16.3-176.9-69.5-74.8000113.9R219 L222 A233 P234 P477 T478 I488 I501R219-Y490 PolarHBondContact NH2-O 3.13Å; L222-Y490 HydrophobicContact CD1-CD2 3.86Å; L222-Y490 HydrophobicContact CD1-CE2 4.27Å; L222-Y490 HydrophobicContact CD1-CG 4.26Å; A233-Y490 HydrophobicContact CB-CE2 3.88Å; P234-Y490 HydrophobicContact CG-CE1 3.94Å; P477-Y490 HydrophobicContact CB-CD1 4.25Å; P477-Y490 HydrophobicContact CB-CE1 4.36Å; T478-Y490 WeakPolarHBondContact OG1-CE1 3.37Å; T478-Y490 PolarHBondContact OG1-OH 3.47Å; I488-Y490 HydrophobicContact CG2-CD1 4.14Å; I488-Y490 HydrophobicContact CG2-CD2 4.29Å; I488-Y490 HydrophobicContact CG2-CE1 3.87Å; I488-Y490 HydrophobicContact CG2-CE2 4.01Å; I488-Y490 HydrophobicContact CG2-CG 4.34Å; Y490-I501 VanDerWaalsContact O-O 3.12Å
491G79.2Confident77.6Confident3 Ų315.2 Ų15.23%0.0317%0.071CC..  trans53.1-127.6175.800000116.6D489 T493 I501 Y514D489-G491 PolarHBondContact O-N 3.5Å; D489-G491 PolarHBondContact OD1-N 3.19Å; G491-T493 PolarHBondContact O-N 2.89Å; G491-I501 CarbonylContact C-O 3.6Å; G491-I501 WeakPolarHBondContact CA-O 3.19Å; G491-Y514 VanDerWaalsContact CA-CE1 3.49Å; G491-Y514 VanDerWaalsContact CA-CE2 3.46Å; G491-Y514 WeakPolarHBondContact CA-OH 3.12Å
492I71.3Confident77.5Confident2 Ų215.2 Ų15.21%0.017%0.071CC..SBendtrans-80.1114.1-176.8-57.1-178.6000108.4H496 A497 I501 Y514 F516 G523I492-H496 HydrophobicContact CG2-CB 4.04Å; I492-A497 HydrophobicContact CG2-CB 3.89Å; I492-I501 HydrophobicContact CD1-CD1 3.79Å; I492-I501 HydrophobicContact CD1-CG1 4.23Å; I492-I501 HydrophobicContact CG1-CB 4.48Å; I492-I501 HydrophobicContact CG1-CD1 4.47Å; I492-I501 PolarHBondContact N-O 3.36Å; I492-I501 VanDerWaalsContact N-O 3.09Å; I492-Y514 HydrophobicContact CD1-CD1 3.99Å; I492-Y514 HydrophobicContact CG1-CD1 3.4Å; I492-Y514 VanDerWaalsContact CG1-CD1 3.4Å; I492-Y514 HydrophobicContact CG1-CE1 4.18Å; I492-Y514 HydrophobicContact CG1-CG 3.96Å; I492-F516 HydrophobicContact CD1-CE1 3.84Å; I492-F516 HydrophobicContact CD1-CZ 4.18Å; I492-F516 HydrophobicContact CG1-CE1 4.29Å; I492-F516 HydrophobicContact CG1-CZ 4.21Å; I492-F516 HydrophobicContact CG2-CE1 3.78Å; I492-F516 HydrophobicContact CG2-CZ 3.96Å; I492-G523 VanDerWaalsContact CD1-CA 3.45Å
493T64.2Low77.5Confident1 Ų114 Ų141%0.0067%0.065CC..  trans-70158.6177.1630000111.4R219 L222 G491 R495 H496R219-T493 WeakPolarHBondContact O-CG2 3.22Å; L222-T493 WeakPolarHBondContact O-CG2 3.12Å; G491-T493 PolarHBondContact O-N 2.89Å; T493-R495 PolarHBondContact O-N 3.48Å; T493-H496 PolarHBondContact O-N 3.34Å; T493-H496 PolarHBondContact OG1-CD2 3.34Å
494P59.1Low77.6Confident2 Ų28.9 Ų8.91%0.0134%0.042CC..THydrogen-bonded Turntrans-57.2-13.2176.2-19.428.2000114.5E468 V470E468-P494 HydrophobicContact CB-CB 3.9Å; E468-P494 HydrophobicContact CB-CG 4.1Å; V470-P494 HydrophobicContact CG2-CB 3.66Å
495R61.9Low77.7Confident22 Ų228.1 Ų8.18%0.0834%0.039CC..THydrogen-bonded Turntrans-74.8-43.5178.3173.5176.1175.3-165.52.8111.8L275 V276 T277 E335 T493L275-R495 PolarHBondContact O-NE 2.78Å; L275-R495 PolarHBondContact O-NH2 2.93Å; V276-R495 PolarHBondContact O-NH2 2.9Å; T277-R495 PolarHBondContact O-NH1 3.05Å; E335-R495 VanDerWaalsContact CG-O 3.24Å; E335-R495 WeakPolarHBondContact CG-O 3.49Å; E335-R495 WeakPolarHBondContact OE1-CD 3.29Å; E335-R495 WeakPolarHBondContact OE1-CG 3.42Å; E335-R495 IonicContact OE1-CZ 2.68Å; E335-R495 IonicContact OE1-NE 2.87Å; E335-R495 PolarHBondContact OE1-NE 3.28Å; T493-R495 PolarHBondContact O-N 3.48Å
496H58.3Low77.7Confident24 Ų249.2 Ų9.211%0.1114%0.04CC..THydrogen-bonded Turntrans-92.5-26.7-166.3-61.7-55.1000115.4L223 E335 I492 T493 F516L223-H496 VanDerWaalsContact CD2-NE2 3.33Å; L223-H496 WeakPolarHBondContact CD2-NE2 3.3Å; E335-H496 VanDerWaalsContact OE2-CA 3.3Å; E335-H496 WeakPolarHBondContact OE2-CA 3.14Å; E335-H496 IonicContact OE2-CE1 3.24Å; E335-H496 IonicContact OE2-CG 2.79Å; E335-H496 IonicContact OE2-ND1 3.49Å; E335-H496 PolarHBondContact OE2-ND1 3.36Å; I492-H496 HydrophobicContact CG2-CB 4.04Å; T493-H496 PolarHBondContact O-N 3.34Å; T493-H496 PolarHBondContact OG1-CD2 3.34Å; H496-F516 HydrophobicContact CB-CE1 3.74Å; H496-F516 HydrophobicContact CB-CE2 4.26Å; H496-F516 HydrophobicContact CB-CZ 3.42Å; H496-F516 VanDerWaalsContact CB-CZ 3.42Å
497A56.9Low77.7Confident3 Ų39.9 Ų9.93%0.0254%0.043CC..  trans-159.6157.217200000112I492 S499 F516I492-A497 HydrophobicContact CG2-CB 3.89Å; A497-S499 WeakPolarHBondContact CB-OG 3.43Å; A497-S499 PolarHBondContact O-N 3.15Å; A497-S499 VanDerWaalsContact O-N 3.1Å; A497-F516 HydrophobicContact CB-CD1 4.34Å; A497-F516 HydrophobicContact CB-CE1 3.96Å
498N56.4Low77.7Confident14 Ų1410.7 Ų10.78%0.0755%0.05CC..THydrogen-bonded Turntrans-71.83.6174.7-59.4-30.5000114.1L331 R332 E468 D521L331-N498 PolarHBondContact O-OD1 2.82Å; R332-N498 WeakPolarHBondContact CA-ND2 3.21Å; R332-N498 WeakPolarHBondContact CA-OD1 3.25Å; R332-N498 WeakPolarHBondContact CB-ND2 3.4Å; R332-N498 WeakPolarHBondContact CG-ND2 3Å; R332-N498 WeakPolarHBondContact CG-OD1 3.32Å; R332-N498 PolarHBondContact O-ND2 3Å; R332-N498 VanDerWaalsContact O-ND2 3.14Å; E468-N498 VanDerWaalsContact OE1-O 3.11Å; N498-D521 HydrophobicContact CB-CB 4.36Å; N498-D521 PolarHBondContact ND2-OD2 3.01Å
499S62Low77.7Confident0 Ų011.2 Ų11.20%05%0.052CC..THydrogen-bonded Turntrans-117.323.9-160.455.70000112.1A497 I501 D521 G523 S542A497-S499 WeakPolarHBondContact CB-OG 3.43Å; A497-S499 PolarHBondContact O-N 3.15Å; A497-S499 VanDerWaalsContact O-N 3.1Å; S499-I501 WeakPolarHBondContact O-CG1 3.35Å; S499-I501 PolarHBondContact O-N 3.34Å; S499-D521 WeakPolarHBondContact CB-O 3.45Å; S499-D521 PolarHBondContact OG-O 2.86Å; S499-G523 PolarHBondContact OG-N 3.19Å; S499-S542 WeakPolarHBondContact CB-OG 3.48Å; S499-S542 VanDerWaalsContact O-CB 3.29Å; S499-S542 WeakPolarHBondContact O-CB 3.43Å; S499-S542 PolarHBondContact O-OG 3.47Å
500G74.6Confident77.7Confident0 Ų015.3 Ų15.30%07%0.074CC..  trans-36.8126.7-161.400000113.9L465 E466 T467 E468L465-G500 CarbonylContact C-O 3.52Å; L465-G500 VanDerWaalsContact C-O 3.3Å; L465-G500 WeakPolarHBondContact CA-O 3.33Å; E466-G500 PolarHBondContact N-O 2.89Å; T467-G500 PolarHBondContact N-O 3.21Å; T467-G500 PolarHBondContact OG1-O 3.07Å; E468-G500 VanDerWaalsContact OE2-CA 3.23Å; E468-G500 WeakPolarHBondContact OE2-CA 3.18Å; E468-G500 PolarHBondContact OE2-N 2.9Å
501I83.7Confident78Confident0 Ų019.8 Ų19.80%09%0.093CC..  trans-116.9134-176.3-57.3174.4000108.2L464 L465 T467 Y490 G491 I492 S499 Y514 I540L464-I501 WeakPolarHBondContact O-CA 3.4Å; L465-I501 HydrophobicContact CD2-CG1 4.38Å; T467-I501 PolarHBondContact OG1-N 3.37Å; Y490-I501 VanDerWaalsContact O-O 3.12Å; G491-I501 CarbonylContact C-O 3.6Å; G491-I501 WeakPolarHBondContact CA-O 3.19Å; I492-I501 HydrophobicContact CD1-CD1 3.79Å; I492-I501 HydrophobicContact CD1-CG1 4.23Å; I492-I501 HydrophobicContact CG1-CB 4.48Å; I492-I501 HydrophobicContact CG1-CD1 4.47Å; I492-I501 PolarHBondContact N-O 3.36Å; I492-I501 VanDerWaalsContact N-O 3.09Å; S499-I501 WeakPolarHBondContact O-CG1 3.35Å; S499-I501 PolarHBondContact O-N 3.34Å; I501-Y514 HydrophobicContact CB-CE1 4.12Å; I501-Y514 HydrophobicContact CG2-CE1 3.97Å; I501-I540 HydrophobicContact CD1-CB 4.4Å; I501-I540 HydrophobicContact CD1-CG2 4.24Å; I501-I540 WeakPolarHBondContact CD1-O 3.1Å; I501-I540 HydrophobicContact CG1-CG2 4.41Å; I501-I540 HydrophobicContact CG2-CB 3.9Å; I501-I540 HydrophobicContact CG2-CD1 3.74Å; I501-I540 HydrophobicContact CG2-CG1 4.45Å; I501-I540 HydrophobicContact CG2-CG2 3.55Å
502A88.4Confident78.4Confident0 Ų020.1 Ų20.10%010%0.095CC..EExtended strand (participates in β ladder)trans-139.7155.8167.200000110.9L464 T467 P477 D489L464-A502 HydrophobicContact CB-CB 4.34Å; L464-A502 HydrophobicContact CD1-CB 4.41Å; L464-A502 PolarHBondContact N-O 2.84Å; L464-A502 PolarHBondContact O-N 3.44Å; T467-A502 HydrophobicContact CG2-CB 3.86Å; P477-A502 HydrophobicContact CB-CB 3.88Å; P477-A502 HydrophobicContact CG-CB 3.49Å; P477-A502 VanDerWaalsContact CG-CB 3.49Å; D489-A502 CarbonylContact O-C 3.53Å; D489-A502 VanDerWaalsContact O-CA 3.3Å; D489-A502 WeakPolarHBondContact O-CA 3.49Å; D489-A502 WeakPolarHBondContact O-CB 3.28Å
503V92.4Very high79Confident0 Ų023.7 Ų23.70%011%0.114CC..EExtended strand (participates in β ladder)trans-123.4131.4175.7-178.50000109.1V461 V462 L463 D489 I509 V527 I540V461-V503 HydrophobicContact CG1-CG1 3.94Å; V462-V503 WeakPolarHBondContact O-CA 3.21Å; L463-V503 HydrophobicContact CD2-CB 4.47Å; L463-V503 HydrophobicContact CD2-CG1 4.06Å; L463-V503 HydrophobicContact CD2-CG2 3.78Å; D489-V503 HydrophobicContact CB-CB 4.32Å; D489-V503 PolarHBondContact N-O 2.9Å; D489-V503 PolarHBondContact O-N 2.85Å; V503-I509 HydrophobicContact CG1-CD1 4.35Å; V503-V527 HydrophobicContact CG2-CB 4.33Å; V503-V527 HydrophobicContact CG2-CG1 4.47Å; V503-V527 HydrophobicContact CG2-CG2 3.8Å; V503-I540 HydrophobicContact CG2-CD1 3.27Å
504V93.2Very high79.8Confident0 Ų024.3 Ų24.30%012%0.117CC..EExtended strand (participates in β ladder)trans-118.5119.5170.4-175.50000107.2V462 L464 L480 Y486 Y487V462-V504 HydrophobicContact CB-CB 4.3Å; V462-V504 PolarHBondContact N-O 2.92Å; V462-V504 PolarHBondContact O-N 2.97Å; L464-V504 HydrophobicContact CD1-CG2 4.09Å; L480-V504 HydrophobicContact CB-CG1 4.45Å; L480-V504 HydrophobicContact CB-CG2 4.28Å; Y486-V504 HydrophobicContact CD2-CG1 3.97Å; Y486-V504 HydrophobicContact CG-CG1 4.23Å; Y487-V504 CarbonylContact O-C 2.96Å; Y487-V504 VanDerWaalsContact O-CA 3.32Å; Y487-V504 WeakPolarHBondContact O-CA 3.48Å
505S93.8Very high80.6Confident0 Ų025.9 Ų25.90%013%0.128CC..EExtended strand (participates in β ladder)trans-131131.8-170.4173.20000110.9Y486 Y487 Y507 V529Y486-S505 CarbonylContact C-O 3.55Å; Y486-S505 WeakPolarHBondContact CB-O 2.87Å; Y487-S505 WeakPolarHBondContact CA-O 3.43Å; Y487-S505 WeakPolarHBondContact CB-O 3.28Å; Y487-S505 WeakPolarHBondContact CD2-O 3.41Å; Y487-S505 PolarHBondContact N-O 3.26Å; Y487-S505 PolarHBondContact O-N 3.28Å; S505-Y507 WeakPolarHBondContact CB-O 3.37Å; S505-Y507 PolarHBondContact O-N 2.82Å; S505-Y507 PolarHBondContact OG-N 2.68Å; S505-Y507 VanDerWaalsContact OG-N 3.07Å; S505-Y507 PolarHBondContact OG-O 3.46Å; S505-V529 WeakPolarHBondContact OG-CG1 3.37Å
506R92.3Very high80.9Confident54 Ų5427 Ų2720%0.20413%0.134CC..SBendtrans-61.4-29169.7-172.9177.5-178.8173.31.8111.8D460 Y486D460-R506 WeakPolarHBondContact O-CB 3.32Å; D460-R506 PolarHBondContact O-N 3.24Å; Y486-R506 HydrophobicContact CD1-CB 3.95Å; Y486-R506 HydrophobicContact CD1-CG 4.15Å; Y486-R506 HydrophobicContact CD2-CB 4.23Å; Y486-R506 HydrophobicContact CE1-CB 3.71Å; Y486-R506 HydrophobicContact CE1-CG 3.73Å; Y486-R506 HydrophobicContact CE2-CB 4.01Å; Y486-R506 HydrophobicContact CG-CB 4.23Å
507Y91.5Very high81.1Confident26 Ų2629.2 Ų29.210%0.10214%0.141CC..SBendtrans-98.3152-178.4-66.9-72.9000112.2D460 Y487 S505 I509 L530 I531 Q532D460-Y507 HydrophobicContact CB-CD2 4.14Å; D460-Y507 HydrophobicContact CB-CE2 3.78Å; Y487-Y507 VanDerWaalsContact CD2-O 3.26Å; Y487-Y507 WeakPolarHBondContact CD2-O 3.35Å; S505-Y507 WeakPolarHBondContact CB-O 3.37Å; S505-Y507 PolarHBondContact O-N 2.82Å; S505-Y507 PolarHBondContact OG-N 2.68Å; S505-Y507 VanDerWaalsContact OG-N 3.07Å; S505-Y507 PolarHBondContact OG-O 3.46Å; Y507-I509 PolarHBondContact O-N 2.84Å; Y507-L530 WeakPolarHBondContact CB-O 3.44Å; Y507-I531 HydrophobicContact CD2-CB 4.19Å; Y507-I531 HydrophobicContact CD2-CG1 3.93Å; Y507-I531 HydrophobicContact CD2-CG2 3.87Å; Y507-I531 HydrophobicContact CE2-CB 4.49Å; Y507-I531 HydrophobicContact CE2-CG2 3.7Å; Y507-I531 HydrophobicContact CG-CB 4.38Å; Y507-I531 HydrophobicContact CG-CG1 4.22Å; Y507-I531 HydrophobicContact CG-CG2 4.42Å; Y507-Q532 HydrophobicContact CE1-CG 4.05Å; Y507-Q532 WeakPolarHBondContact OH-CG 3.33Å; Y507-Q532 PolarHBondContact OH-NE2 2.92Å
508P91.1Very high80.8Confident31 Ų3132.6 Ų32.620%0.20117%0.165CC..  trans-57.1134.2-179.1-24.633.4000113Y487 L530Y487-P508 HydrophobicContact CE2-CB 4.26Å; Y487-P508 HydrophobicContact CE2-CG 3.86Å; P508-L530 PolarHBondContact O-N 3.43Å
509I89.3Confident80.6Confident23 Ų2337.1 Ų37.112%0.11819%0.189CC..EExtended strand (participates in β ladder)trans-89113.3172.3-58.2175.4000107.7D489 V503 Y507 V527 V529D489-I509 HydrophobicContact CB-CD1 3.6Å; V503-I509 HydrophobicContact CG1-CD1 4.35Å; Y507-I509 PolarHBondContact O-N 2.84Å; I509-V527 HydrophobicContact CG2-CG1 3.57Å; I509-V529 HydrophobicContact CG1-CG2 4.43Å
510I88.9Confident80.1Confident91 Ų9141 Ų4147%0.46721%0.206SC..EExtended strand (participates in β ladder)trans-78.9-49.1-176.5-60.9162.8000110.2Q528 L530 V535I510-Q528 HydrophobicContact CB-CB 4.47Å; I510-Q528 PolarHBondContact N-O 2.63Å; I510-L530 HydrophobicContact CD1-CB 3.77Å; I510-L530 HydrophobicContact CD1-CD1 4.24Å; I510-L530 HydrophobicContact CD1-CG 4.48Å; I510-L530 HydrophobicContact CG1-CB 4.05Å; I510-V535 HydrophobicContact CD1-CB 4.38Å; I510-V535 HydrophobicContact CD1-CG1 4.05Å; I510-V535 HydrophobicContact CD1-CG2 3.59Å
511K89Confident79.2Confident119 Ų11942.3 Ų42.352%0.51721%0.213SC..EExtended strand (participates in β ladder)trans-149143.8-171.8-172.2175.3-178.9178.10109.9V527 Q528K511-V527 CarbonylContact O-C 3.56Å; K511-V527 WeakPolarHBondContact O-CA 3.42Å; K511-Q528 HydrophobicContact CB-CB 4.27Å; K511-Q528 PolarHBondContact O-N 2.79Å
512S87.9Confident78.2Confident10 Ų1042.6 Ų42.67%0.0721%0.214CC..EExtended strand (participates in β ladder)trans-138.3130.3175.762.80000109.1G225 D489 M526G225-S512 WeakPolarHBondContact CA-OG 3.33Å; G225-S512 PolarHBondContact N-OG 3.39Å; D489-S512 WeakPolarHBondContact OD2-CB 3.44Å; S512-M526 CarbonylContact C-O 3.48Å; S512-M526 WeakPolarHBondContact CA-O 3.33Å
513N85.3Confident77.4Confident77 Ų7742.6 Ų42.641%0.41221%0.214SC..EExtended strand (participates in β ladder)trans-132.1138.5173.5-1709.7000109.1M526N513-M526 HydrophobicContact CB-CE 3.99Å; N513-M526 PolarHBondContact N-O 2.92Å; N513-M526 PolarHBondContact O-N 3.44Å
514Y80.2Confident77Confident14 Ų1442.7 Ų42.76%0.05522%0.215CC..EExtended strand (participates in β ladder)trans-127.1116.4-177.8-67.3-96.4000108.7A224 D489 G491 I492 I501 V524A224-Y514 HydrophobicContact CB-CD2 3.18Å; A224-Y514 HydrophobicContact CB-CE2 3.98Å; A224-Y514 HydrophobicContact CB-CG 3.82Å; D489-Y514 PolarHBondContact OD1-OH 2.89Å; D489-Y514 WeakPolarHBondContact OD2-CE2 3.15Å; D489-Y514 PolarHBondContact OD2-OH 3.48Å; G491-Y514 VanDerWaalsContact CA-CE1 3.49Å; G491-Y514 VanDerWaalsContact CA-CE2 3.46Å; G491-Y514 WeakPolarHBondContact CA-OH 3.12Å; I492-Y514 HydrophobicContact CD1-CD1 3.99Å; I492-Y514 HydrophobicContact CG1-CD1 3.4Å; I492-Y514 VanDerWaalsContact CG1-CD1 3.4Å; I492-Y514 HydrophobicContact CG1-CE1 4.18Å; I492-Y514 HydrophobicContact CG1-CG 3.96Å; I501-Y514 HydrophobicContact CB-CE1 4.12Å; I501-Y514 HydrophobicContact CG2-CE1 3.97Å; Y514-V524 WeakPolarHBondContact CA-O 3.25Å
515S74.8Confident76.7Confident35 Ų3542.7 Ų42.725%0.24522%0.215CC..EExtended strand (participates in β ladder)trans-105.7141.7-176.4-66.20000110V524S515-V524 PolarHBondContact N-O 2.79Å; S515-V524 PolarHBondContact O-N 3.08Å
516F69Low76.5Confident47 Ų4743.8 Ų43.821%0.20622%0.22CC..EExtended strand (participates in β ladder)trans-112.8133.5174.5-55.9-85.4000108.5I492 H496 A497I492-F516 HydrophobicContact CD1-CE1 3.84Å; I492-F516 HydrophobicContact CD1-CZ 4.18Å; I492-F516 HydrophobicContact CG1-CE1 4.29Å; I492-F516 HydrophobicContact CG1-CZ 4.21Å; I492-F516 HydrophobicContact CG2-CE1 3.78Å; I492-F516 HydrophobicContact CG2-CZ 3.96Å; H496-F516 HydrophobicContact CB-CE1 3.74Å; H496-F516 HydrophobicContact CB-CE2 4.26Å; H496-F516 HydrophobicContact CB-CZ 3.42Å; H496-F516 VanDerWaalsContact CB-CZ 3.42Å; A497-F516 HydrophobicContact CB-CD1 4.34Å; A497-F516 HydrophobicContact CB-CE1 3.96Å
517Y62.6Low76.5Confident69 Ų6941.2 Ų41.227%0.27121%0.211SC..  trans-110.7124.6176.4-171-86.4000110.9I522 K554 E555 F558Y517-I522 PolarHBondContact N-O 3.24Å; Y517-K554 HydrophobicContact CE1-CB 4.09Å; Y517-E555 HydrophobicContact CD1-CB 4.25Å; Y517-E555 HydrophobicContact CD1-CG 3.38Å; Y517-E555 HydrophobicContact CE1-CG 3.81Å; Y517-E555 HydrophobicContact CG-CG 4.29Å; Y517-F558 HydrophobicContact CD2-CB 3.52Å; Y517-F558 AromaticContact CD2-CD1 3.42Å; Y517-F558 HydrophobicContact CD2-CD1 3.42Å; Y517-F558 VanDerWaalsContact CD2-CD1 3.42Å; Y517-F558 AromaticContact CD2-CD2 3.44Å; Y517-F558 HydrophobicContact CD2-CD2 3.44Å; Y517-F558 VanDerWaalsContact CD2-CD2 3.44Å; Y517-F558 AromaticContact CD2-CE1 3.89Å; Y517-F558 HydrophobicContact CD2-CE1 3.89Å; Y517-F558 AromaticContact CD2-CE2 3.92Å; Y517-F558 HydrophobicContact CD2-CE2 3.92Å; Y517-F558 AromaticContact CD2-CG 3.15Å; Y517-F558 HydrophobicContact CD2-CG 3.15Å; Y517-F558 HydrophobicContact CD2-CZ 4.12Å; Y517-F558 HydrophobicContact CE2-CB 3.53Å; Y517-F558 HydrophobicContact CE2-CD1 4.28Å; Y517-F558 AromaticContact CE2-CD2 3.62Å; Y517-F558 HydrophobicContact CE2-CD2 3.62Å; Y517-F558 HydrophobicContact CE2-CE2 4.37Å; Y517-F558 AromaticContact CE2-CG 3.56Å; Y517-F558 HydrophobicContact CE2-CG 3.56Å; Y517-F558 HydrophobicContact CG-CB 4.13Å; Y517-F558 AromaticContact CG-CD1 3.84Å; Y517-F558 HydrophobicContact CG-CD1 3.84Å; Y517-F558 HydrophobicContact CG-CE1 4.37Å; Y517-F558 AromaticContact CG-CG 3.95Å; Y517-F558 HydrophobicContact CG-CG 3.95Å
518S51.5Low76.6Confident74 Ų7441.5 Ų41.552%0.51721%0.213SC..THydrogen-bonded Turntrans65.1172.5-178.6-159.10000114.5K520S518-K520 PolarHBondContact O-N 3.24Å
519N50.8Low76.7Confident109 Ų10940 Ų4058%0.58320%0.203SC*.THydrogen-bonded Turntrans-69.125.9168.8-72.4-12.2000112.1N334N334-N519 WeakPolarHBondContact CB-O 3.5Å; N334-N519 PolarHBondContact ND2-O 2.92Å
520K51.3Low76.8Confident82 Ų8241.9 Ų41.936%0.35721%0.213SC..SBendtrans-125.3155.8-180-62.8-169.5174.1-162.30111.9N334 S518 I522N334-K520 WeakPolarHBondContact ND2-CA 3.36Å; N334-K520 PolarHBondContact ND2-N 3.4Å; N334-K520 PolarHBondContact ND2-O 2.86Å; N334-K520 VanDerWaalsContact ND2-O 3.11Å; S518-K520 PolarHBondContact O-N 3.24Å; K520-I522 PolarHBondContact O-N 2.87Å
521D56.1Low76.9Confident28 Ų2837.6 Ų37.615%0.1519%0.191CC..SBendtrans-63.326.5-163-54-20.3000117.5N498 S499 Y546N498-D521 HydrophobicContact CB-CB 4.36Å; N498-D521 PolarHBondContact ND2-OD2 3.01Å; S499-D521 WeakPolarHBondContact CB-O 3.45Å; S499-D521 PolarHBondContact OG-O 2.86Å; D521-Y546 HydrophobicContact CB-CE2 4.46Å; D521-Y546 WeakPolarHBondContact OD2-CD2 3.36Å
522I62.3Low76.8Confident5 Ų534.7 Ų34.73%0.02618%0.18CC..  trans-98.4108.1-171.2-72.4166.3000109.3Y517 K520 L543 E555Y517-I522 PolarHBondContact N-O 3.24Å; K520-I522 PolarHBondContact O-N 2.87Å; I522-L543 HydrophobicContact CB-CD2 4.15Å; I522-L543 HydrophobicContact CD1-CD2 4.16Å; I522-L543 HydrophobicContact CG1-CD2 3.94Å; I522-L543 HydrophobicContact CG2-CD2 3.22Å; I522-E555 HydrophobicContact CD1-CB 3.69Å; I522-E555 HydrophobicContact CD1-CG 3.38Å; I522-E555 HydrophobicContact CG2-CB 4.3Å
523G73.3Confident76.7Confident0 Ų037.2 Ų37.20%021%0.207CC..EExtended strand (participates in β ladder)trans-98.9137.3170.700000111.1I492 S499 S542I492-G523 VanDerWaalsContact CD1-CA 3.45Å; S499-G523 PolarHBondContact OG-N 3.19Å; G523-S542 PolarHBondContact O-N 3Å
524V82.9Confident77Confident2 Ų236.7 Ų36.71%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-123.4113.3169.2-171.80000108Y514 S515 I540 V559 M562Y514-V524 WeakPolarHBondContact CA-O 3.25Å; S515-V524 PolarHBondContact N-O 2.79Å; S515-V524 PolarHBondContact O-N 3.08Å; V524-I540 WeakPolarHBondContact CA-O 3.21Å; V524-V559 HydrophobicContact CG1-CG2 4.42Å; V524-V559 HydrophobicContact CG2-CG2 3.56Å; V524-M562 HydrophobicContact CB-CE 3.91Å; V524-M562 HydrophobicContact CG1-CE 3.66Å; V524-M562 HydrophobicContact CG2-CE 4Å
525G86.3Confident77.6Confident0 Ų038.7 Ų38.70%022%0.217CC..EExtended strand (participates in β ladder)trans-82.7138.9169.200000110.9F539 I540G525-F539 CarbonylContact O-C 3.47Å; G525-F539 VanDerWaalsContact O-CA 3.31Å; G525-F539 WeakPolarHBondContact O-CA 3.33Å; G525-I540 PolarHBondContact N-O 2.87Å; G525-I540 PolarHBondContact O-N 3.3Å
526M90.9Very high78.5Confident24 Ų2437 Ų3712%0.11821%0.205CC..EExtended strand (participates in β ladder)trans-124.3119165.7178.2-89.4-81.200107.4S512 N513 Q528 T537 I538 F539 F566S512-M526 CarbonylContact C-O 3.48Å; S512-M526 WeakPolarHBondContact CA-O 3.33Å; N513-M526 HydrophobicContact CB-CE 3.99Å; N513-M526 PolarHBondContact N-O 2.92Å; N513-M526 PolarHBondContact O-N 3.44Å; M526-Q528 HydrophobicContact SD-CG 4.03Å; M526-T537 HydrophobicContact CG-CG2 3.88Å; M526-T537 HydrophobicContact SD-CG2 4.25Å; M526-I538 CarbonylContact C-O 3.56Å; M526-I538 WeakPolarHBondContact CA-O 3.22Å; M526-F539 HydrophobicContact CB-CD1 4.02Å; M526-F539 HydrophobicContact CB-CE1 3.91Å; M526-F539 HydrophobicContact CG-CD1 4.14Å; M526-F539 HydrophobicContact CG-CE1 3.7Å; M526-F539 HydrophobicContact CG-CZ 3.95Å; M526-F566 HydrophobicContact CE-CZ 4.25Å
527V92.1Very high79.8Confident0 Ų034.8 Ų34.80%020%0.195CC..EExtended strand (participates in β ladder)trans-128130.6-176.9-176.20000109.1V503 I509 K511 V529 I538 I540V503-V527 HydrophobicContact CG2-CB 4.33Å; V503-V527 HydrophobicContact CG2-CG1 4.47Å; V503-V527 HydrophobicContact CG2-CG2 3.8Å; I509-V527 HydrophobicContact CG2-CG1 3.57Å; K511-V527 CarbonylContact O-C 3.56Å; K511-V527 WeakPolarHBondContact O-CA 3.42Å; V527-V529 HydrophobicContact CG1-CG2 3.98Å; V527-I538 PolarHBondContact N-O 2.87Å; V527-I538 PolarHBondContact O-N 3.31Å; V527-I540 HydrophobicContact CG2-CD1 4.25Å
528Q93.4Very high81.4Confident32 Ų3231.5 Ų31.515%0.1518%0.183CC..EExtended strand (participates in β ladder)trans-104.4119.8175.4-69-174.2-41.500109.4I510 K511 M526 V535 V536 T537I510-Q528 HydrophobicContact CB-CB 4.47Å; I510-Q528 PolarHBondContact N-O 2.63Å; K511-Q528 HydrophobicContact CB-CB 4.27Å; K511-Q528 PolarHBondContact O-N 2.79Å; M526-Q528 HydrophobicContact SD-CG 4.03Å; Q528-V535 HydrophobicContact CB-CG1 3.95Å; Q528-V535 HydrophobicContact CG-CG1 4.27Å; Q528-V536 WeakPolarHBondContact CA-O 3.46Å; Q528-T537 HydrophobicContact CG-CG2 4.39Å; Q528-T537 PolarHBondContact NE2-OG1 3.23Å
529V92.6Very high83.4Confident0 Ų028.1 Ų28.10%016%0.159CC..EExtended strand (participates in β ladder)trans-116.9133.7-176.9-1750000109.4V461 S505 I509 V527 I531 V536 I538V461-V529 HydrophobicContact CG2-CG1 4.43Å; S505-V529 WeakPolarHBondContact OG-CG1 3.37Å; I509-V529 HydrophobicContact CG1-CG2 4.43Å; V527-V529 HydrophobicContact CG1-CG2 3.98Å; V529-I531 HydrophobicContact CB-CG1 4.14Å; V529-I531 HydrophobicContact CG1-CD1 4.32Å; V529-I531 HydrophobicContact CG1-CG1 3.69Å; V529-I531 PolarHBondContact O-N 2.99Å; V529-V536 PolarHBondContact N-O 2.75Å; V529-V536 PolarHBondContact O-N 2.91Å; V529-I538 HydrophobicContact CG2-CD1 4.11Å
530L92.7Very high85.4Confident62 Ų6223 Ų2333%0.32513%0.131SC..EExtended strand (participates in β ladder)trans-86.483.5177.4-171.661.6000111Y507 P508 I510 V535Y507-L530 WeakPolarHBondContact CB-O 3.44Å; P508-L530 PolarHBondContact O-N 3.43Å; I510-L530 HydrophobicContact CD1-CB 3.77Å; I510-L530 HydrophobicContact CD1-CD1 4.24Å; I510-L530 HydrophobicContact CD1-CG 4.48Å; I510-L530 HydrophobicContact CG1-CB 4.05Å; L530-V535 HydrophobicContact CD1-CG2 4.06Å
531I90.7Very high87.1Confident0 Ų019 Ų190%011%0.114CC..EExtended strand (participates in β ladder)trans-89.5111.8-178.5-55.4-176.5000108.5F428 V461 Y507 V529 G533 I534 V536 F642F428-I531 HydrophobicContact CB-CD1 4.39Å; F428-I531 HydrophobicContact CB-CG2 3.76Å; F428-I531 HydrophobicContact CD1-CD1 4.24Å; F428-I531 HydrophobicContact CD1-CG2 4.04Å; F428-I531 HydrophobicContact CD2-CD1 3.77Å; F428-I531 HydrophobicContact CE1-CD1 4.48Å; F428-I531 HydrophobicContact CE2-CD1 4.03Å; F428-I531 HydrophobicContact CG-CD1 3.88Å; F428-I531 HydrophobicContact CG-CG2 4Å; F428-I531 HydrophobicContact CZ-CD1 4.38Å; V461-I531 HydrophobicContact CG2-CD1 3.95Å; Y507-I531 HydrophobicContact CD2-CB 4.19Å; Y507-I531 HydrophobicContact CD2-CG1 3.93Å; Y507-I531 HydrophobicContact CD2-CG2 3.87Å; Y507-I531 HydrophobicContact CE2-CB 4.49Å; Y507-I531 HydrophobicContact CE2-CG2 3.7Å; Y507-I531 HydrophobicContact CG-CB 4.38Å; Y507-I531 HydrophobicContact CG-CG1 4.22Å; Y507-I531 HydrophobicContact CG-CG2 4.42Å; V529-I531 HydrophobicContact CB-CG1 4.14Å; V529-I531 HydrophobicContact CG1-CD1 4.32Å; V529-I531 HydrophobicContact CG1-CG1 3.69Å; V529-I531 PolarHBondContact O-N 2.99Å; I531-G533 PolarHBondContact O-N 3.48Å; I531-G533 VanDerWaalsContact O-N 3.15Å; I531-I534 PolarHBondContact N-O 3.43Å; I531-I534 PolarHBondContact O-N 2.93Å; I531-V536 HydrophobicContact CB-CG2 4.27Å; I531-V536 HydrophobicContact CD1-CB 4.18Å; I531-V536 HydrophobicContact CD1-CG2 3.97Å; I531-V536 HydrophobicContact CG1-CG2 4.25Å; I531-F642 HydrophobicContact CB-CZ 3.96Å; I531-F642 HydrophobicContact CG2-CE2 4.44Å; I531-F642 HydrophobicContact CG2-CZ 3.73Å; I531-F642 WeakPolarHBondContact O-CZ 3.33Å
532Q86.3Confident88.4Confident59 Ų5917.7 Ų17.728%0.27611%0.107SC..THydrogen-bonded Turntrans52.138.7176.7-56.6178.18.800113.8A423 G426 T427 Y507 I534 F642A423-Q532 PolarHBondContact O-NE2 2.96Å; A423-Q532 VanDerWaalsContact O-NE2 3.11Å; G426-Q532 VanDerWaalsContact CA-OE1 3.23Å; T427-Q532 PolarHBondContact O-NE2 3.39Å; Y507-Q532 HydrophobicContact CE1-CG 4.05Å; Y507-Q532 WeakPolarHBondContact OH-CG 3.33Å; Y507-Q532 PolarHBondContact OH-NE2 2.92Å; Q532-I534 VanDerWaalsContact C-N 3.31Å; Q532-I534 PolarHBondContact O-N 3.48Å; Q532-F642 HydrophobicContact CB-CE2 4.28Å
533G86.4Confident89.1Confident63 Ų6317.6 Ų17.665%0.64911%0.106SC*.THydrogen-bonded Turntrans85.1-5.8-179.700000115.2I531I531-G533 PolarHBondContact O-N 3.48Å; I531-G533 VanDerWaalsContact O-N 3.15Å
534I90.3Very high88.7Confident65 Ų6519.2 Ų19.233%0.33311%0.113SC..EExtended strand (participates in β ladder)trans-105.8131.8177.2-63.3170.1000109.5I531 Q532 V536 P572 F642I531-I534 PolarHBondContact N-O 3.43Å; I531-I534 PolarHBondContact O-N 2.93Å; Q532-I534 VanDerWaalsContact C-N 3.31Å; Q532-I534 PolarHBondContact O-N 3.48Å; I534-V536 PolarHBondContact O-N 3.37Å; I534-P572 HydrophobicContact CG2-CG 3.87Å; I534-F642 HydrophobicContact CB-CD1 4.15Å; I534-F642 HydrophobicContact CB-CE1 3.74Å; I534-F642 HydrophobicContact CB-CZ 3.98Å; I534-F642 HydrophobicContact CD1-CB 3.97Å; I534-F642 HydrophobicContact CD1-CD1 3.7Å; I534-F642 HydrophobicContact CD1-CD2 3.66Å; I534-F642 HydrophobicContact CD1-CE1 4.04Å; I534-F642 HydrophobicContact CD1-CE2 4Å; I534-F642 HydrophobicContact CD1-CG 3.49Å; I534-F642 VanDerWaalsContact CD1-CG 3.49Å; I534-F642 HydrophobicContact CD1-CZ 4.17Å; I534-F642 HydrophobicContact CG1-CE1 4.48Å; I534-F642 HydrophobicContact CG2-CD1 3.86Å; I534-F642 HydrophobicContact CG2-CE1 3.7Å; I534-F642 HydrophobicContact CG2-CZ 4.45Å
535V92.9Very high87.4Confident56 Ų5622.4 Ų22.434%0.33913%0.13SC..EExtended strand (participates in β ladder)trans-78.5118.6175-176.40000109I510 Q528 L530I510-V535 HydrophobicContact CD1-CB 4.38Å; I510-V535 HydrophobicContact CD1-CG1 4.05Å; I510-V535 HydrophobicContact CD1-CG2 3.59Å; Q528-V535 HydrophobicContact CB-CG1 3.95Å; Q528-V535 HydrophobicContact CG-CG1 4.27Å; L530-V535 HydrophobicContact CD1-CG2 4.06Å
536V94.6Very high85.7Confident0 Ų026.9 Ų26.90%015%0.147CC..EExtended strand (participates in β ladder)trans-106.3123.7173.3-1770000108.8F428 Q528 V529 I531 I534 I538 P572 L574 F642F428-V536 HydrophobicContact CE1-CG2 4.46Å; F428-V536 HydrophobicContact CZ-CG1 4.36Å; Q528-V536 WeakPolarHBondContact CA-O 3.46Å; V529-V536 PolarHBondContact N-O 2.75Å; V529-V536 PolarHBondContact O-N 2.91Å; I531-V536 HydrophobicContact CB-CG2 4.27Å; I531-V536 HydrophobicContact CD1-CB 4.18Å; I531-V536 HydrophobicContact CD1-CG2 3.97Å; I531-V536 HydrophobicContact CG1-CG2 4.25Å; I534-V536 PolarHBondContact O-N 3.37Å; V536-I538 HydrophobicContact CG1-CG1 4.12Å; V536-P572 HydrophobicContact CG2-CB 4.19Å; V536-L574 HydrophobicContact CG1-CD1 4.06Å; V536-L574 HydrophobicContact CG1-CG 4.39Å; V536-F642 HydrophobicContact CG2-CE1 3.67Å; V536-F642 HydrophobicContact CG2-CZ 4.44Å
537T95.4Very high83.3Confident0 Ų029.4 Ų29.40%017%0.167CC..EExtended strand (participates in β ladder)trans-91.6119.4176-60.90000109.5M526 Q528 F539 F566 P572 T573 L574M526-T537 HydrophobicContact CG-CG2 3.88Å; M526-T537 HydrophobicContact SD-CG2 4.25Å; Q528-T537 HydrophobicContact CG-CG2 4.39Å; Q528-T537 PolarHBondContact NE2-OG1 3.23Å; T537-F539 HydrophobicContact CG2-CD2 4.18Å; T537-F539 HydrophobicContact CG2-CE2 3.57Å; T537-F539 HydrophobicContact CG2-CZ 4Å; T537-F566 HydrophobicContact CG2-CD1 3.85Å; T537-F566 HydrophobicContact CG2-CE1 4.05Å; T537-F566 HydrophobicContact CG2-CG 4.33Å; T537-P572 PolarHBondContact N-O 3.43Å; T537-T573 CarbonylContact O-C 3.36Å; T537-T573 WeakPolarHBondContact O-CA 3.38Å; T537-L574 PolarHBondContact O-N 2.88Å
538I95.7Very high81Confident0 Ų033.4 Ų33.40%021%0.208CC..EExtended strand (participates in β ladder)trans-113.8118.2-177.4-51.4178.3000109.3V461 L463 M526 V527 V529 V536 I540 L574V461-I538 HydrophobicContact CG1-CD1 3.87Å; L463-I538 HydrophobicContact CD1-CG2 3.86Å; L463-I538 HydrophobicContact CD2-CG2 4.03Å; M526-I538 CarbonylContact C-O 3.56Å; M526-I538 WeakPolarHBondContact CA-O 3.22Å; V527-I538 PolarHBondContact N-O 2.87Å; V527-I538 PolarHBondContact O-N 3.31Å; V529-I538 HydrophobicContact CG2-CD1 4.11Å; V536-I538 HydrophobicContact CG1-CG1 4.12Å; I538-I540 HydrophobicContact CG2-CG1 4.08Å; I538-L574 CarbonylContact C-O 3.56Å; I538-L574 WeakPolarHBondContact CA-O 3.25Å; I538-L574 HydrophobicContact CG1-CB 4.33Å; I538-L574 HydrophobicContact CG1-CD1 4.34Å; I538-L574 HydrophobicContact CG2-CB 4.29Å
539F94.4Very high78.7Confident4 Ų434.1 Ų34.12%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-95.5132.8171.3-68.3-88.2000110.7G525 M526 T537 P541 M562 V563 F566 T573 L574 V575 A576G525-F539 CarbonylContact O-C 3.47Å; G525-F539 VanDerWaalsContact O-CA 3.31Å; G525-F539 WeakPolarHBondContact O-CA 3.33Å; M526-F539 HydrophobicContact CB-CD1 4.02Å; M526-F539 HydrophobicContact CB-CE1 3.91Å; M526-F539 HydrophobicContact CG-CD1 4.14Å; M526-F539 HydrophobicContact CG-CE1 3.7Å; M526-F539 HydrophobicContact CG-CZ 3.95Å; T537-F539 HydrophobicContact CG2-CD2 4.18Å; T537-F539 HydrophobicContact CG2-CE2 3.57Å; T537-F539 HydrophobicContact CG2-CZ 4Å; F539-P541 WeakPolarHBondContact O-CD 3.45Å; F539-M562 HydrophobicContact CE1-CB 4.31Å; F539-V563 HydrophobicContact CB-CG2 4.1Å; F539-V563 HydrophobicContact CD1-CG2 4.08Å; F539-V563 HydrophobicContact CD2-CG2 3.75Å; F539-V563 HydrophobicContact CE1-CG2 4.46Å; F539-V563 HydrophobicContact CE2-CG2 4.16Å; F539-V563 HydrophobicContact CG-CG2 3.7Å; F539-V563 HydrophobicContact CZ-CG2 4.5Å; F539-F566 HydrophobicContact CE2-CB 4.28Å; F539-F566 AromaticContact CE2-CD2 3.99Å; F539-F566 HydrophobicContact CE2-CD2 3.99Å; F539-F566 HydrophobicContact CE2-CG 4.09Å; F539-F566 AromaticContact CZ-CD2 3.44Å; F539-F566 HydrophobicContact CZ-CD2 3.44Å; F539-F566 VanDerWaalsContact CZ-CD2 3.44Å; F539-F566 AromaticContact CZ-CE2 3.68Å; F539-F566 HydrophobicContact CZ-CE2 3.68Å; F539-F566 AromaticContact CZ-CG 3.98Å; F539-F566 HydrophobicContact CZ-CG 3.98Å; F539-F566 HydrophobicContact CZ-CZ 4.4Å; F539-T573 HydrophobicContact CD2-CG2 3.83Å; F539-T573 HydrophobicContact CE2-CG2 3.83Å; F539-L574 PolarHBondContact N-O 3.13Å; F539-V575 HydrophobicContact CB-CB 4.34Å; F539-V575 HydrophobicContact CB-CG1 4Å; F539-V575 HydrophobicContact CB-CG2 4.14Å; F539-V575 HydrophobicContact CD2-CG2 4.43Å; F539-V575 CarbonylContact O-C 3.34Å; F539-V575 VanDerWaalsContact O-CA 3.3Å; F539-V575 WeakPolarHBondContact O-CA 3.25Å; F539-A576 PolarHBondContact O-N 3.48Å
540I91.9Very high76.7Confident0 Ų043.6 Ų43.60%026%0.256CS..EExtended strand (participates in β ladder)trans-126.186.7-174.9-47162.5000107.2L463 L465 I501 V503 V524 G525 V527 I538 A576L463-I540 HydrophobicContact CD1-CG1 4.28Å; L463-I540 HydrophobicContact CD2-CD1 3.81Å; L463-I540 HydrophobicContact CD2-CG1 4.18Å; L465-I540 HydrophobicContact CD2-CG2 3.71Å; I501-I540 HydrophobicContact CD1-CB 4.4Å; I501-I540 HydrophobicContact CD1-CG2 4.24Å; I501-I540 WeakPolarHBondContact CD1-O 3.1Å; I501-I540 HydrophobicContact CG1-CG2 4.41Å; I501-I540 HydrophobicContact CG2-CB 3.9Å; I501-I540 HydrophobicContact CG2-CD1 3.74Å; I501-I540 HydrophobicContact CG2-CG1 4.45Å; I501-I540 HydrophobicContact CG2-CG2 3.55Å; V503-I540 HydrophobicContact CG2-CD1 3.27Å; V524-I540 WeakPolarHBondContact CA-O 3.21Å; G525-I540 PolarHBondContact N-O 2.87Å; G525-I540 PolarHBondContact O-N 3.3Å; V527-I540 HydrophobicContact CG2-CD1 4.25Å; I538-I540 HydrophobicContact CG2-CG1 4.08Å; I540-A576 WeakPolarHBondContact CA-O 3.34Å
541P88.8Confident75Confident0 Ų044.2 Ų44.20%026%0.26CS..EExtended strand (participates in β ladder)trans-75.8136.2173.727.4-28.7000109.9F539 L543 V559 V575 G577 N578 F579F539-P541 WeakPolarHBondContact O-CD 3.45Å; P541-L543 HydrophobicContact CB-CG 4.29Å; P541-V559 HydrophobicContact CB-CG1 4.29Å; P541-V559 HydrophobicContact CB-CG2 4.29Å; P541-V575 HydrophobicContact CG-CG1 4.02Å; P541-G577 CarbonylContact O-C 3.31Å; P541-G577 VanDerWaalsContact O-CA 3.3Å; P541-G577 WeakPolarHBondContact O-CA 3.38Å; P541-N578 PolarHBondContact O-N 3.47Å; P541-F579 HydrophobicContact CB-CE1 4.28Å; P541-F579 HydrophobicContact CB-CZ 4.26Å; P541-F579 HydrophobicContact CG-CD1 4.46Å; P541-F579 HydrophobicContact CG-CD2 4.27Å; P541-F579 HydrophobicContact CG-CE1 3.74Å; P541-F579 HydrophobicContact CG-CE2 3.53Å; P541-F579 HydrophobicContact CG-CZ 3.25Å
542S82.3Confident73.7Confident0 Ų045.3 Ų45.30%026%0.264CS..EExtended strand (participates in β ladder)trans-12577.8174.7-158.60000109.1S499 G523 Y544S499-S542 WeakPolarHBondContact CB-OG 3.48Å; S499-S542 VanDerWaalsContact O-CB 3.29Å; S499-S542 WeakPolarHBondContact O-CB 3.43Å; S499-S542 PolarHBondContact O-OG 3.47Å; G523-S542 PolarHBondContact O-N 3Å; S542-Y544 WeakPolarHBondContact OG-CE2 3.28Å
543L77.4Confident73Confident3 Ų345.6 Ų45.62%0.01627%0.271CS..  trans-93.1119.2-175.1-50.2-175.8000110.7I522 P541 E556 N578 F579I522-L543 HydrophobicContact CB-CD2 4.15Å; I522-L543 HydrophobicContact CD1-CD2 4.16Å; I522-L543 HydrophobicContact CG1-CD2 3.94Å; I522-L543 HydrophobicContact CG2-CD2 3.22Å; P541-L543 HydrophobicContact CB-CG 4.29Å; L543-E556 HydrophobicContact CD1-CG 3.83Å; L543-N578 WeakPolarHBondContact CB-O 3.44Å; L543-N578 WeakPolarHBondContact CG-O 3.4Å; L543-N578 PolarHBondContact N-O 3.31Å; L543-N578 VanDerWaalsContact N-O 3.12Å; L543-N578 PolarHBondContact O-ND2 3.13Å; L543-F579 HydrophobicContact CD1-CD1 4.02Å
544Y65.8Low72.6Confident34 Ų3448.4 Ų48.413%0.13327%0.265CS..  trans-108.3140.7177.7-75.3-90.2000113.2E466 S542 Y546 Y552E466-Y544 WeakPolarHBondContact CG-OH 3.37Å; E466-Y544 PolarHBondContact OE1-OH 2.8Å; S542-Y544 WeakPolarHBondContact OG-CE2 3.28Å; Y544-Y546 VanDerWaalsContact CB-CE2 3.47Å; Y544-Y546 HydrophobicContact CD1-CE2 4.36Å; Y544-Y546 AromaticContact CG-CE2 3.96Å; Y544-Y546 HydrophobicContact CG-CE2 3.96Å; Y544-Y546 PolarHBondContact O-N 2.83Å; Y544-Y552 VanDerWaalsContact O-CE1 3.28Å; Y544-Y552 WeakPolarHBondContact O-CE1 3.45Å
545D54.5Low72Confident68 Ų6845.7 Ų45.736%0.36425%0.251SS..  trans-88.683.8169.8-178.825.3000110.6Y552 F580D545-Y552 WeakPolarHBondContact CA-OH 3.4Å; D545-Y552 PolarHBondContact OD1-OH 2.8Å; D545-Y552 VanDerWaalsContact OD1-OH 3.08Å; D545-F580 HydrophobicContact CB-CD1 4.18Å; D545-F580 HydrophobicContact CB-CD2 3.53Å; D545-F580 HydrophobicContact CB-CE1 3.92Å; D545-F580 HydrophobicContact CB-CE2 3.21Å; D545-F580 HydrophobicContact CB-CG 4Å; D545-F580 HydrophobicContact CB-CZ 3.44Å; D545-F580 VanDerWaalsContact CB-CZ 3.44Å; D545-F580 WeakPolarHBondContact OD2-CE1 3.35Å; D545-F580 WeakPolarHBondContact OD2-CE2 3.3Å; D545-F580 WeakPolarHBondContact OD2-CZ 3.12Å
546Y50.5Low71.5Confident94 Ų9443.5 Ų43.537%0.36924%0.237SC..  trans-92.399.2161.2-66.5-75.1000108.2D521 Y544 Y552D521-Y546 HydrophobicContact CB-CE2 4.46Å; D521-Y546 WeakPolarHBondContact OD2-CD2 3.36Å; Y544-Y546 VanDerWaalsContact CB-CE2 3.47Å; Y544-Y546 HydrophobicContact CD1-CE2 4.36Å; Y544-Y546 AromaticContact CG-CE2 3.96Å; Y544-Y546 HydrophobicContact CG-CE2 3.96Å; Y544-Y546 PolarHBondContact O-N 2.83Å; Y546-Y552 PolarHBondContact N-OH 3.49Å; Y546-Y552 PolarHBondContact O-OH 3.37Å
547S41.2Very low71Confident78 Ų7848.1 Ų48.155%0.54526%0.257SS..SBendtrans67.6107.3166.472.60000116.6T549S547-T549 WeakPolarHBondContact O-CB 3.46Å; S547-T549 WeakPolarHBondContact O-CG2 3.24Å; S547-T549 PolarHBondContact O-N 3.33Å; S547-T549 PolarHBondContact O-OG1 2.66Å
548G42.7Very low70.5Confident83 Ų8350.3 Ų50.386%0.85627%0.267SS*.SBendtrans50.35.2133.100000120.5
549T44.8Very low70.2Confident48 Ų4850.4 Ų50.429%0.29427%0.267SS..  trans-105.1124.6-166.649.80000109.8S547 N551 Y552S547-T549 WeakPolarHBondContact O-CB 3.46Å; S547-T549 WeakPolarHBondContact O-CG2 3.24Å; S547-T549 PolarHBondContact O-N 3.33Å; S547-T549 PolarHBondContact O-OG1 2.66Å; T549-N551 PolarHBondContact O-N 3.02Å; T549-Y552 WeakPolarHBondContact O-CD2 3.04Å; T549-Y552 WeakPolarHBondContact O-CE2 3.29Å
550K51.7Low70Confident199 Ų19950.2 Ų50.287%0.86527%0.266SS*.THydrogen-bonded Turntrans-61.17.5-179.3-70.5178.8175.8176.40115.1P553K550-P553 WeakPolarHBondContact O-CD 3.45Å
551N57Low69.9Low74 Ų7455.1 Ų55.140%0.39629%0.29SS..THydrogen-bonded Turntrans-90-15.2-163.9-74-9.8000115.6T549 P553 K554 E555T549-N551 PolarHBondContact O-N 3.02Å; N551-P553 VanDerWaalsContact C-N 3.26Å; N551-P553 VanDerWaalsContact O-CD 3.27Å; N551-P553 WeakPolarHBondContact O-CD 3.49Å; N551-K554 PolarHBondContact O-N 3.38Å; N551-E555 VanDerWaalsContact C-OE2 3.31Å
552Y63.8Low69.8Low24 Ų2456.9 Ų56.99%0.09430%0.298CS..THydrogen-bonded Turntrans-46.8-29.6176.9-61.1-69.2000117.8Y544 D545 Y546 T549 K554 E555 E556Y544-Y552 VanDerWaalsContact O-CE1 3.28Å; Y544-Y552 WeakPolarHBondContact O-CE1 3.45Å; D545-Y552 WeakPolarHBondContact CA-OH 3.4Å; D545-Y552 PolarHBondContact OD1-OH 2.8Å; D545-Y552 VanDerWaalsContact OD1-OH 3.08Å; Y546-Y552 PolarHBondContact N-OH 3.49Å; Y546-Y552 PolarHBondContact O-OH 3.37Å; T549-Y552 WeakPolarHBondContact O-CD2 3.04Å; T549-Y552 WeakPolarHBondContact O-CE2 3.29Å; Y552-K554 PolarHBondContact O-N 3.48Å; Y552-K554 VanDerWaalsContact O-N 3.16Å; Y552-E555 VanDerWaalsContact C-OE2 3.22Å; Y552-E555 WeakPolarHBondContact CA-OE2 3.45Å; Y552-E555 PolarHBondContact N-OE2 3.31Å; Y552-E555 PolarHBondContact O-N 3.04Å; Y552-E556 WeakPolarHBondContact O-CG 3.4Å; Y552-E556 PolarHBondContact O-N 3.11Å; Y552-E556 VanDerWaalsContact O-N 3.17Å
553P71.4Confident70.3Confident64 Ų6456.9 Ų56.942%0.41630%0.298SS..Hα-helixtrans-60-22.1175.4-26.936.9000114K550 N551 K557K550-P553 WeakPolarHBondContact O-CD 3.45Å; N551-P553 VanDerWaalsContact C-N 3.26Å; N551-P553 VanDerWaalsContact O-CD 3.27Å; N551-P553 WeakPolarHBondContact O-CD 3.49Å; P553-K557 WeakPolarHBondContact O-CB 3.43Å; P553-K557 PolarHBondContact O-N 2.78Å; P553-K557 VanDerWaalsContact O-N 3.13Å
554K78Confident71Confident122 Ų12260.7 Ų60.753%0.5332%0.315SS..Hα-helixtrans-75.2-42.2179.4-68.3-174.9179.9-178.90111.4Y517 N551 Y552 K557 F558Y517-K554 HydrophobicContact CE1-CB 4.09Å; N551-K554 PolarHBondContact O-N 3.38Å; Y552-K554 PolarHBondContact O-N 3.48Å; Y552-K554 VanDerWaalsContact O-N 3.16Å; K554-K557 WeakPolarHBondContact O-CB 3.21Å; K554-K557 PolarHBondContact O-N 3.16Å; K554-F558 PolarHBondContact O-N 2.66Å
555E77.8Confident72.2Confident8 Ų861.5 Ų61.54%0.03733%0.325CS..Hα-helixtrans-73.3-41.9-178.7-59.794.9163.600111.2Y517 I522 N551 Y552 K557 F558 V559Y517-E555 HydrophobicContact CD1-CB 4.25Å; Y517-E555 HydrophobicContact CD1-CG 3.38Å; Y517-E555 HydrophobicContact CE1-CG 3.81Å; Y517-E555 HydrophobicContact CG-CG 4.29Å; I522-E555 HydrophobicContact CD1-CB 3.69Å; I522-E555 HydrophobicContact CD1-CG 3.38Å; I522-E555 HydrophobicContact CG2-CB 4.3Å; N551-E555 VanDerWaalsContact C-OE2 3.31Å; Y552-E555 VanDerWaalsContact C-OE2 3.22Å; Y552-E555 WeakPolarHBondContact CA-OE2 3.45Å; Y552-E555 PolarHBondContact N-OE2 3.31Å; Y552-E555 PolarHBondContact O-N 3.04Å; E555-K557 VanDerWaalsContact C-N 3.26Å; E555-K557 PolarHBondContact O-N 2.81Å; E555-F558 WeakPolarHBondContact O-CB 3.5Å; E555-F558 PolarHBondContact O-N 2.73Å; E555-V559 WeakPolarHBondContact O-CG2 3.33Å; E555-V559 PolarHBondContact O-N 3.43Å
556E82.4Confident73.8Confident11 Ų1160.2 Ų60.25%0.05132%0.317CS..Hα-helixtrans-59.3-40170.3-71.2172.9175.100111.7L543 Y552 A560 F581 R587 F591L543-E556 HydrophobicContact CD1-CG 3.83Å; Y552-E556 WeakPolarHBondContact O-CG 3.4Å; Y552-E556 PolarHBondContact O-N 3.11Å; Y552-E556 VanDerWaalsContact O-N 3.17Å; E556-A560 WeakPolarHBondContact O-CB 3.34Å; E556-A560 PolarHBondContact O-N 2.85Å; E556-F581 WeakPolarHBondContact OE1-CD1 3.41Å; E556-R587 IonicContact OE1-CZ 3.52Å; E556-R587 IonicContact OE1-NE 3.51Å; E556-R587 IonicContact OE1-NH2 2.62Å; E556-R587 PolarHBondContact OE1-NH2 3.42Å; E556-R587 IonicContact OE2-CZ 3.18Å; E556-R587 IonicContact OE2-NE 2.88Å; E556-R587 PolarHBondContact OE2-NE 2.86Å; E556-R587 IonicContact OE2-NH2 2.67Å; E556-R587 PolarHBondContact OE2-NH2 2.92Å; E556-F591 HydrophobicContact CB-CD2 4.43Å; E556-F591 WeakPolarHBondContact O-CD2 3.44Å
557K84.1Confident75.6Confident96 Ų9656.2 Ų56.242%0.41730%0.302SS..Hα-helixtrans-65-42.5175.7178.7-178.9169.9-1760111.3P553 K554 E555 A560 E561P553-K557 WeakPolarHBondContact O-CB 3.43Å; P553-K557 PolarHBondContact O-N 2.78Å; P553-K557 VanDerWaalsContact O-N 3.13Å; K554-K557 WeakPolarHBondContact O-CB 3.21Å; K554-K557 PolarHBondContact O-N 3.16Å; E555-K557 VanDerWaalsContact C-N 3.26Å; E555-K557 PolarHBondContact O-N 2.81Å; K557-A560 PolarHBondContact O-N 2.94Å; K557-E561 WeakPolarHBondContact CE-OE1 3.35Å; K557-E561 IonicContact NZ-OE1 3.17Å; K557-E561 WeakPolarHBondContact O-CG 3.5Å; K557-E561 PolarHBondContact O-N 3.24Å
558F85Confident77.9Confident47 Ų4758.6 Ų58.621%0.20631%0.305CS..Hα-helixtrans-62.2-46.8176.8173.8-107.8000112.3Y517 K554 E555 A560 E561 M562Y517-F558 HydrophobicContact CD2-CB 3.52Å; Y517-F558 AromaticContact CD2-CD1 3.42Å; Y517-F558 HydrophobicContact CD2-CD1 3.42Å; Y517-F558 VanDerWaalsContact CD2-CD1 3.42Å; Y517-F558 AromaticContact CD2-CD2 3.44Å; Y517-F558 HydrophobicContact CD2-CD2 3.44Å; Y517-F558 VanDerWaalsContact CD2-CD2 3.44Å; Y517-F558 AromaticContact CD2-CE1 3.89Å; Y517-F558 HydrophobicContact CD2-CE1 3.89Å; Y517-F558 AromaticContact CD2-CE2 3.92Å; Y517-F558 HydrophobicContact CD2-CE2 3.92Å; Y517-F558 AromaticContact CD2-CG 3.15Å; Y517-F558 HydrophobicContact CD2-CG 3.15Å; Y517-F558 HydrophobicContact CD2-CZ 4.12Å; Y517-F558 HydrophobicContact CE2-CB 3.53Å; Y517-F558 HydrophobicContact CE2-CD1 4.28Å; Y517-F558 AromaticContact CE2-CD2 3.62Å; Y517-F558 HydrophobicContact CE2-CD2 3.62Å; Y517-F558 HydrophobicContact CE2-CE2 4.37Å; Y517-F558 AromaticContact CE2-CG 3.56Å; Y517-F558 HydrophobicContact CE2-CG 3.56Å; Y517-F558 HydrophobicContact CG-CB 4.13Å; Y517-F558 AromaticContact CG-CD1 3.84Å; Y517-F558 HydrophobicContact CG-CD1 3.84Å; Y517-F558 HydrophobicContact CG-CE1 4.37Å; Y517-F558 AromaticContact CG-CG 3.95Å; Y517-F558 HydrophobicContact CG-CG 3.95Å; K554-F558 PolarHBondContact O-N 2.66Å; E555-F558 WeakPolarHBondContact O-CB 3.5Å; E555-F558 PolarHBondContact O-N 2.73Å; F558-A560 VanDerWaalsContact C-N 3.29Å; F558-A560 PolarHBondContact O-N 3.48Å; F558-E561 PolarHBondContact O-N 2.91Å; F558-M562 HydrophobicContact CD1-CE 3.59Å; F558-M562 HydrophobicContact CD1-SD 4.23Å; F558-M562 HydrophobicContact CE1-CE 3.24Å; F558-M562 HydrophobicContact CE1-CG 4.32Å; F558-M562 HydrophobicContact CE1-SD 3.46Å; F558-M562 WeakPolarHBondContact CE1-SD 3.49Å; F558-M562 HydrophobicContact CE2-CG 4.17Å; F558-M562 HydrophobicContact CE2-SD 4.1Å; F558-M562 HydrophobicContact CG-CE 4.46Å; F558-M562 HydrophobicContact CZ-CE 3.87Å; F558-M562 HydrophobicContact CZ-CG 4.06Å; F558-M562 HydrophobicContact CZ-SD 3.39Å; F558-M562 WeakPolarHBondContact CZ-SD 3.2Å; F558-M562 WeakPolarHBondContact O-CG 3.48Å; F558-M562 PolarHBondContact O-N 2.82Å
559V88.1Confident80Confident1 Ų161.7 Ų61.71%0.00630%0.296CS..Hα-helixtrans-57.6-46.1173.51760000110.2V524 P541 E555 E561 M562 V563 F591V524-V559 HydrophobicContact CG1-CG2 4.42Å; V524-V559 HydrophobicContact CG2-CG2 3.56Å; P541-V559 HydrophobicContact CB-CG1 4.29Å; P541-V559 HydrophobicContact CB-CG2 4.29Å; E555-V559 WeakPolarHBondContact O-CG2 3.33Å; E555-V559 PolarHBondContact O-N 3.43Å; V559-E561 VanDerWaalsContact C-N 3.34Å; V559-E561 PolarHBondContact O-N 3.38Å; V559-M562 HydrophobicContact CG2-CE 4.47Å; V559-M562 PolarHBondContact O-N 2.97Å; V559-V563 HydrophobicContact CG1-CG2 4.23Å; V559-V563 WeakPolarHBondContact O-CB 3.43Å; V559-V563 VanDerWaalsContact O-CG2 3.23Å; V559-V563 WeakPolarHBondContact O-CG2 3.45Å; V559-V563 PolarHBondContact O-N 3.37Å; V559-F591 HydrophobicContact CB-CE2 4.1Å; V559-F591 HydrophobicContact CG1-CE2 3.83Å; V559-F591 HydrophobicContact CG1-CZ 3.99Å
560A90.3Very high82Confident0 Ų061.7 Ų61.70%031%0.305CS..Hα-helixtrans-61.6-40.5178.900000112.5E556 K557 F558 V563 K564 F591 K594 A595E556-A560 WeakPolarHBondContact O-CB 3.34Å; E556-A560 PolarHBondContact O-N 2.85Å; K557-A560 PolarHBondContact O-N 2.94Å; F558-A560 VanDerWaalsContact C-N 3.29Å; F558-A560 PolarHBondContact O-N 3.48Å; A560-V563 PolarHBondContact O-N 2.95Å; A560-K564 WeakPolarHBondContact O-CB 3.47Å; A560-K564 PolarHBondContact O-N 2.75Å; A560-F591 HydrophobicContact CB-CD2 3.89Å; A560-F591 HydrophobicContact CB-CE2 3.88Å; A560-K594 HydrophobicContact CB-CB 3.85Å; A560-A595 HydrophobicContact CB-CB 3.95Å
561E89.3Confident83.7Confident104 Ų10455.4 Ų55.449%0.48628%0.279SS..Hα-helixtrans-66.5-41.5177.3-76.1171.3179.400112.3K557 F558 V559 K564 S565K557-E561 WeakPolarHBondContact CE-OE1 3.35Å; K557-E561 IonicContact NZ-OE1 3.17Å; K557-E561 WeakPolarHBondContact O-CG 3.5Å; K557-E561 PolarHBondContact O-N 3.24Å; F558-E561 PolarHBondContact O-N 2.91Å; V559-E561 VanDerWaalsContact C-N 3.34Å; V559-E561 PolarHBondContact O-N 3.38Å; E561-K564 PolarHBondContact O-N 3.43Å; E561-S565 PolarHBondContact O-N 3.05Å
562M88.2Confident85.4Confident36 Ų3653.1 Ų53.118%0.17727%0.268CS..Hα-helixtrans-63.5-45.2173.7-71.3-168.6-60.800112V524 F539 F558 V559 K564 S565 F566V524-M562 HydrophobicContact CB-CE 3.91Å; V524-M562 HydrophobicContact CG1-CE 3.66Å; V524-M562 HydrophobicContact CG2-CE 4Å; F539-M562 HydrophobicContact CE1-CB 4.31Å; F558-M562 HydrophobicContact CD1-CE 3.59Å; F558-M562 HydrophobicContact CD1-SD 4.23Å; F558-M562 HydrophobicContact CE1-CE 3.24Å; F558-M562 HydrophobicContact CE1-CG 4.32Å; F558-M562 HydrophobicContact CE1-SD 3.46Å; F558-M562 WeakPolarHBondContact CE1-SD 3.49Å; F558-M562 HydrophobicContact CE2-CG 4.17Å; F558-M562 HydrophobicContact CE2-SD 4.1Å; F558-M562 HydrophobicContact CG-CE 4.46Å; F558-M562 HydrophobicContact CZ-CE 3.87Å; F558-M562 HydrophobicContact CZ-CG 4.06Å; F558-M562 HydrophobicContact CZ-SD 3.39Å; F558-M562 WeakPolarHBondContact CZ-SD 3.2Å; F558-M562 WeakPolarHBondContact O-CG 3.48Å; F558-M562 PolarHBondContact O-N 2.82Å; V559-M562 HydrophobicContact CG2-CE 4.47Å; V559-M562 PolarHBondContact O-N 2.97Å; M562-K564 VanDerWaalsContact C-N 3.32Å; M562-K564 PolarHBondContact O-N 2.78Å; M562-S565 PolarHBondContact O-N 3.21Å; M562-S565 PolarHBondContact O-OG 3.02Å; M562-F566 WeakPolarHBondContact O-CD2 3.28Å
563V92Very high86.9Confident0 Ų052 Ų520%026%0.264CS..Hα-helixtrans-65.5-38.8178.9171.60000110.9F539 V559 A560 S565 F566 T567 T573 V575 A595 V597F539-V563 HydrophobicContact CB-CG2 4.1Å; F539-V563 HydrophobicContact CD1-CG2 4.08Å; F539-V563 HydrophobicContact CD2-CG2 3.75Å; F539-V563 HydrophobicContact CE1-CG2 4.46Å; F539-V563 HydrophobicContact CE2-CG2 4.16Å; F539-V563 HydrophobicContact CG-CG2 3.7Å; F539-V563 HydrophobicContact CZ-CG2 4.5Å; V559-V563 HydrophobicContact CG1-CG2 4.23Å; V559-V563 WeakPolarHBondContact O-CB 3.43Å; V559-V563 VanDerWaalsContact O-CG2 3.23Å; V559-V563 WeakPolarHBondContact O-CG2 3.45Å; V559-V563 PolarHBondContact O-N 3.37Å; A560-V563 PolarHBondContact O-N 2.95Å; V563-S565 VanDerWaalsContact C-N 3.26Å; V563-S565 PolarHBondContact O-N 3.29Å; V563-F566 PolarHBondContact O-N 3.44Å; V563-T567 HydrophobicContact CG1-CG2 3.81Å; V563-T567 WeakPolarHBondContact O-CG2 3.37Å; V563-T567 PolarHBondContact O-N 3.22Å; V563-T567 VanDerWaalsContact O-N 3.09Å; V563-T567 PolarHBondContact O-OG1 3.18Å; V563-T573 HydrophobicContact CG1-CG2 4.24Å; V563-V575 HydrophobicContact CB-CG2 4.3Å; V563-V575 HydrophobicContact CG1-CG2 3.64Å; V563-V575 HydrophobicContact CG2-CG1 4.43Å; V563-V575 HydrophobicContact CG2-CG2 3.6Å; V563-A595 HydrophobicContact CB-CB 4.24Å; V563-A595 HydrophobicContact CG1-CB 4.03Å; V563-V597 HydrophobicContact CG1-CG1 3.67Å
564K92.4Very high88.1Confident83 Ų8348.9 Ų48.936%0.36124%0.244SC..Hα-helixtrans-56.7-39-178.5-172.4-175.7-179.9-176.30112.2A560 E561 M562 F566 T567 Q568 K594A560-K564 WeakPolarHBondContact O-CB 3.47Å; A560-K564 PolarHBondContact O-N 2.75Å; E561-K564 PolarHBondContact O-N 3.43Å; M562-K564 VanDerWaalsContact C-N 3.32Å; M562-K564 PolarHBondContact O-N 2.78Å; K564-F566 VanDerWaalsContact C-N 3.27Å; K564-F566 PolarHBondContact O-N 2.82Å; K564-T567 VanDerWaalsContact CA-OG1 3.31Å; K564-T567 WeakPolarHBondContact CA-OG1 3.35Å; K564-T567 PolarHBondContact O-N 3.48Å; K564-T567 PolarHBondContact O-OG1 3.44Å; K564-Q568 VanDerWaalsContact CE-NE2 3.26Å; K564-Q568 HydrophobicContact CG-CG 4.23Å; K564-Q568 WeakPolarHBondContact O-CB 3.42Å; K564-Q568 VanDerWaalsContact O-CG 3.32Å; K564-Q568 WeakPolarHBondContact O-CG 3.18Å; K564-Q568 PolarHBondContact O-N 2.84Å; K564-K594 WeakPolarHBondContact CD-O 3.27Å
565S90Very high88.9Confident52 Ų5243.1 Ų43.136%0.36422%0.219SC..Hα-helixtrans-61.2-37.1179.366.40000111.7E561 M562 V563 H569E561-S565 PolarHBondContact O-N 3.05Å; M562-S565 PolarHBondContact O-N 3.21Å; M562-S565 PolarHBondContact O-OG 3.02Å; V563-S565 VanDerWaalsContact C-N 3.26Å; V563-S565 PolarHBondContact O-N 3.29Å; S565-H569 PolarHBondContact O-ND1 3.09Å
566F89.6Confident89.7Confident41 Ų4142.7 Ų42.718%0.1822%0.217CC..Hα-helixtrans-79.4-42.4-178.7-70.6-99.2000112.3M526 T537 F539 M562 V563 K564 Q568 H569 E571 T573M526-F566 HydrophobicContact CE-CZ 4.25Å; T537-F566 HydrophobicContact CG2-CD1 3.85Å; T537-F566 HydrophobicContact CG2-CE1 4.05Å; T537-F566 HydrophobicContact CG2-CG 4.33Å; F539-F566 HydrophobicContact CE2-CB 4.28Å; F539-F566 AromaticContact CE2-CD2 3.99Å; F539-F566 HydrophobicContact CE2-CD2 3.99Å; F539-F566 HydrophobicContact CE2-CG 4.09Å; F539-F566 AromaticContact CZ-CD2 3.44Å; F539-F566 HydrophobicContact CZ-CD2 3.44Å; F539-F566 VanDerWaalsContact CZ-CD2 3.44Å; F539-F566 AromaticContact CZ-CE2 3.68Å; F539-F566 HydrophobicContact CZ-CE2 3.68Å; F539-F566 AromaticContact CZ-CG 3.98Å; F539-F566 HydrophobicContact CZ-CG 3.98Å; F539-F566 HydrophobicContact CZ-CZ 4.4Å; M562-F566 WeakPolarHBondContact O-CD2 3.28Å; V563-F566 PolarHBondContact O-N 3.44Å; K564-F566 VanDerWaalsContact C-N 3.27Å; K564-F566 PolarHBondContact O-N 2.82Å; F566-Q568 VanDerWaalsContact C-N 3.26Å; F566-Q568 PolarHBondContact O-N 3.01Å; F566-H569 PolarHBondContact O-N 2.9Å; F566-H569 VanDerWaalsContact O-N 3.16Å; F566-E571 VanDerWaalsContact CD1-OE2 3.28Å; F566-E571 WeakPolarHBondContact CD1-OE2 3.45Å; F566-T573 HydrophobicContact CB-CG2 4.49Å
567T88.6Confident90.2Very high9 Ų942.2 Ų42.26%0.05522%0.215CC..Hα-helixtrans-59.9-35.9179.154.70000113V563 K564 G570 T573 A595 V597 Q615 N616V563-T567 HydrophobicContact CG1-CG2 3.81Å; V563-T567 WeakPolarHBondContact O-CG2 3.37Å; V563-T567 PolarHBondContact O-N 3.22Å; V563-T567 VanDerWaalsContact O-N 3.09Å; V563-T567 PolarHBondContact O-OG1 3.18Å; K564-T567 VanDerWaalsContact CA-OG1 3.31Å; K564-T567 WeakPolarHBondContact CA-OG1 3.35Å; K564-T567 PolarHBondContact O-N 3.48Å; K564-T567 PolarHBondContact O-OG1 3.44Å; T567-G570 PolarHBondContact O-N 3.07Å; T567-T573 HydrophobicContact CG2-CG2 4.15Å; T567-A595 PolarHBondContact OG1-O 3.13Å; T567-V597 HydrophobicContact CG2-CG1 3.99Å; T567-Q615 HydrophobicContact CG2-CB 3.71Å; T567-Q615 HydrophobicContact CG2-CG 3.78Å; T567-N616 PolarHBondContact O-ND2 3.39Å
568Q88.1Confident90.2Very high129 Ų12938.4 Ų38.460%0.60320%0.199SC*.Hα-helixtrans-72-25.1178.8-72.2-175.2-42.500114.1K564 F566 G570K564-Q568 VanDerWaalsContact CE-NE2 3.26Å; K564-Q568 HydrophobicContact CG-CG 4.23Å; K564-Q568 WeakPolarHBondContact O-CB 3.42Å; K564-Q568 VanDerWaalsContact O-CG 3.32Å; K564-Q568 WeakPolarHBondContact O-CG 3.18Å; K564-Q568 PolarHBondContact O-N 2.84Å; F566-Q568 VanDerWaalsContact C-N 3.26Å; F566-Q568 PolarHBondContact O-N 3.01Å; Q568-G570 VanDerWaalsContact C-N 3.26Å; Q568-G570 PolarHBondContact O-N 3.44Å
569H87.5Confident90.3Very high148 Ų14836.1 Ų36.169%0.68519%0.189SC*.THydrogen-bonded Turntrans-84.62.8177.7-71.182.3000113.2S565 F566 E571S565-H569 PolarHBondContact O-ND1 3.09Å; F566-H569 PolarHBondContact O-N 2.9Å; F566-H569 VanDerWaalsContact O-N 3.16Å; H569-E571 VanDerWaalsContact C-N 3.3Å; H569-E571 HydrophobicContact CB-CG 4.4Å; H569-E571 PolarHBondContact O-N 3.31Å
570G85.7Confident89.7Confident47 Ų4737.8 Ų37.849%0.48520%0.196SC..THydrogen-bonded Turntrans79.78.6179.700000114.3T567 Q568 N616T567-G570 PolarHBondContact O-N 3.07Å; Q568-G570 VanDerWaalsContact C-N 3.26Å; Q568-G570 PolarHBondContact O-N 3.44Å; G570-N616 VanDerWaalsContact CA-ND2 3.33Å; G570-N616 WeakPolarHBondContact CA-ND2 3.44Å; G570-N616 PolarHBondContact O-ND2 2.98Å
571E88.1Confident89.4Confident68 Ų6838 Ų3832%0.31820%0.197SC..  trans-73.2137-179.6-64.5-174.1-158.300111.9F566 H569 T573 N616F566-E571 VanDerWaalsContact CD1-OE2 3.28Å; F566-E571 WeakPolarHBondContact CD1-OE2 3.45Å; H569-E571 VanDerWaalsContact C-N 3.3Å; H569-E571 HydrophobicContact CB-CG 4.4Å; H569-E571 PolarHBondContact O-N 3.31Å; E571-T573 PolarHBondContact O-N 3.16Å; E571-T573 PolarHBondContact O-OG1 3.27Å; E571-N616 PolarHBondContact N-ND2 2.71Å; E571-N616 PolarHBondContact O-ND2 2.87Å
572P93.7Very high89.1Confident25 Ų2541.4 Ų41.416%0.16221%0.205CC..  trans-56.2110.6170.7-25.635.8000111I534 V536 T537 L617I534-P572 HydrophobicContact CG2-CG 3.87Å; V536-P572 HydrophobicContact CG2-CB 4.19Å; T537-P572 PolarHBondContact N-O 3.43Å; P572-L617 HydrophobicContact CB-CD2 3.97Å; P572-L617 HydrophobicContact CB-CG 4.25Å
573T94.7Very high89Confident0 Ų040.3 Ų40.30%020%0.202CC..EExtended strand (participates in β ladder)trans-124.8130.6-170.7-56.30000110.7T537 F539 V563 F566 T567 E571 Y614 Q615T537-T573 CarbonylContact O-C 3.36Å; T537-T573 WeakPolarHBondContact O-CA 3.38Å; F539-T573 HydrophobicContact CD2-CG2 3.83Å; F539-T573 HydrophobicContact CE2-CG2 3.83Å; V563-T573 HydrophobicContact CG1-CG2 4.24Å; F566-T573 HydrophobicContact CB-CG2 4.49Å; T567-T573 HydrophobicContact CG2-CG2 4.15Å; E571-T573 PolarHBondContact O-N 3.16Å; E571-T573 PolarHBondContact O-OG1 3.27Å; T573-Y614 CarbonylContact O-C 3.42Å; T573-Y614 WeakPolarHBondContact O-CA 3.27Å; T573-Q615 PolarHBondContact N-O 3.05Å; T573-Q615 PolarHBondContact O-N 3.27Å
574L96.4Very high88.7Confident0 Ų045.5 Ų45.50%022%0.222CC..EExtended strand (participates in β ladder)trans-117.4144.6171.4-72.2169.5000110F428 L430 V536 T537 I538 F539 F613 L617 F640F428-L574 HydrophobicContact CE2-CD1 3.63Å; F428-L574 HydrophobicContact CZ-CD1 3.73Å; L430-L574 HydrophobicContact CD2-CD1 4.25Å; V536-L574 HydrophobicContact CG1-CD1 4.06Å; V536-L574 HydrophobicContact CG1-CG 4.39Å; T537-L574 PolarHBondContact O-N 2.88Å; I538-L574 CarbonylContact C-O 3.56Å; I538-L574 WeakPolarHBondContact CA-O 3.25Å; I538-L574 HydrophobicContact CG1-CB 4.33Å; I538-L574 HydrophobicContact CG1-CD1 4.34Å; I538-L574 HydrophobicContact CG2-CB 4.29Å; F539-L574 PolarHBondContact N-O 3.13Å; L574-F613 WeakPolarHBondContact CA-O 3.12Å; L574-L617 HydrophobicContact CD1-CD1 4.16Å; L574-L617 HydrophobicContact CD2-CD1 3.62Å; L574-L617 HydrophobicContact CG-CD1 3.64Å; L574-F640 HydrophobicContact CD1-CD2 4.38Å; L574-F640 HydrophobicContact CD1-CE2 4.36Å; L574-F640 HydrophobicContact CD2-CD1 4.38Å; L574-F640 HydrophobicContact CD2-CD2 4.04Å; L574-F640 HydrophobicContact CD2-CE1 3.96Å; L574-F640 HydrophobicContact CD2-CE2 3.57Å; L574-F640 HydrophobicContact CD2-CG 4.42Å; L574-F640 HydrophobicContact CD2-CZ 3.52Å
575V95.7Very high88.4Confident0 Ų046.4 Ų46.40%023%0.227CC..EExtended strand (participates in β ladder)trans-129.5108.6169.5-168.20000108F539 P541 V563 F579 F591 V597 I612 F613F539-V575 HydrophobicContact CB-CB 4.34Å; F539-V575 HydrophobicContact CB-CG1 4Å; F539-V575 HydrophobicContact CB-CG2 4.14Å; F539-V575 HydrophobicContact CD2-CG2 4.43Å; F539-V575 CarbonylContact O-C 3.34Å; F539-V575 VanDerWaalsContact O-CA 3.3Å; F539-V575 WeakPolarHBondContact O-CA 3.25Å; P541-V575 HydrophobicContact CG-CG1 4.02Å; V563-V575 HydrophobicContact CB-CG2 4.3Å; V563-V575 HydrophobicContact CG1-CG2 3.64Å; V563-V575 HydrophobicContact CG2-CG1 4.43Å; V563-V575 HydrophobicContact CG2-CG2 3.6Å; V575-F579 HydrophobicContact CG1-CE2 4.45Å; V575-F579 HydrophobicContact CG1-CZ 3.77Å; V575-F591 HydrophobicContact CG1-CZ 4.42Å; V575-V597 HydrophobicContact CG2-CG1 4.26Å; V575-I612 CarbonylContact O-C 3.35Å; V575-I612 WeakPolarHBondContact O-CA 3.42Å; V575-F613 HydrophobicContact CB-CB 4.14Å; V575-F613 HydrophobicContact CB-CD2 4.34Å; V575-F613 PolarHBondContact N-O 3.19Å; V575-F613 PolarHBondContact O-N 3.22Å
576A94.7Very high88.2Confident0 Ų047.2 Ų47.20%023%0.232CC..EExtended strand (participates in β ladder)trans-136.1117.1-174.500000110.2L430 L432 L463 F539 I540 F611 I612L430-A576 HydrophobicContact CD2-CB 3.92Å; L432-A576 HydrophobicContact CD2-CB 4.37Å; L463-A576 HydrophobicContact CD1-CB 3.47Å; L463-A576 VanDerWaalsContact CD1-CB 3.47Å; F539-A576 PolarHBondContact O-N 3.48Å; I540-A576 WeakPolarHBondContact CA-O 3.34Å; A576-F611 VanDerWaalsContact CA-O 3.31Å; A576-F611 WeakPolarHBondContact CA-O 3.27Å; A576-I612 HydrophobicContact CB-CB 4.47Å; A576-I612 HydrophobicContact CB-CG1 4.03Å; A576-I612 HydrophobicContact CB-CG2 4.36Å
577G91.1Very high88Confident0 Ų048 Ų480%023%0.234CC..EExtended strand (participates in β ladder)trans174.3-163.9-174.300000114.2P541 M610 F611P541-G577 CarbonylContact O-C 3.31Å; P541-G577 VanDerWaalsContact O-CA 3.3Å; P541-G577 WeakPolarHBondContact O-CA 3.38Å; G577-M610 WeakPolarHBondContact O-CA 3.09Å; G577-F611 PolarHBondContact N-O 2.9Å; G577-F611 VanDerWaalsContact N-O 3.11Å; G577-F611 PolarHBondContact O-N 3.46Å; G577-F611 VanDerWaalsContact O-N 3.1Å
578N86.1Confident88.1Confident16 Ų1647.7 Ų47.79%0.08623%0.232CC..EExtended strand (participates in β ladder)trans-94.5129.2-178.1-165.68.3000111.5L465 P541 L543 R609L465-N578 HydrophobicContact CD1-CB 4.05Å; P541-N578 PolarHBondContact O-N 3.47Å; L543-N578 WeakPolarHBondContact CB-O 3.44Å; L543-N578 WeakPolarHBondContact CG-O 3.4Å; L543-N578 PolarHBondContact N-O 3.31Å; L543-N578 VanDerWaalsContact N-O 3.12Å; L543-N578 PolarHBondContact O-ND2 3.13Å; N578-R609 CarbonylContact C-O 3.53Å; N578-R609 WeakPolarHBondContact CA-O 3.35Å; N578-R609 WeakPolarHBondContact OD1-CB 3.26Å; N578-R609 PolarHBondContact OD1-O 3.07Å
579F85.3Confident88.1Confident0 Ų044.8 Ų44.80%022%0.221CC..EExtended strand (participates in β ladder)trans-136.1142.4-176.8-67.5-88.6000111.3P541 L543 V575 F581 F591 R609 F611 F613P541-F579 HydrophobicContact CB-CE1 4.28Å; P541-F579 HydrophobicContact CB-CZ 4.26Å; P541-F579 HydrophobicContact CG-CD1 4.46Å; P541-F579 HydrophobicContact CG-CD2 4.27Å; P541-F579 HydrophobicContact CG-CE1 3.74Å; P541-F579 HydrophobicContact CG-CE2 3.53Å; P541-F579 HydrophobicContact CG-CZ 3.25Å; L543-F579 HydrophobicContact CD1-CD1 4.02Å; V575-F579 HydrophobicContact CG1-CE2 4.45Å; V575-F579 HydrophobicContact CG1-CZ 3.77Å; F579-F581 HydrophobicContact CB-CD1 4.12Å; F579-F581 HydrophobicContact CB-CD2 4.28Å; F579-F581 HydrophobicContact CB-CE1 3.65Å; F579-F581 HydrophobicContact CB-CE2 3.8Å; F579-F581 HydrophobicContact CB-CG 4.43Å; F579-F581 HydrophobicContact CB-CZ 3.46Å; F579-F581 VanDerWaalsContact CB-CZ 3.46Å; F579-F581 AromaticContact CD1-CE1 3.46Å; F579-F581 HydrophobicContact CD1-CE1 3.46Å; F579-F581 VanDerWaalsContact CD1-CE1 3.46Å; F579-F581 AromaticContact CD1-CZ 3.46Å; F579-F581 HydrophobicContact CD1-CZ 3.46Å; F579-F581 VanDerWaalsContact CD1-CZ 3.46Å; F579-F581 HydrophobicContact CD2-CZ 4.21Å; F579-F581 HydrophobicContact CE1-CE1 4.29Å; F579-F581 HydrophobicContact CE1-CZ 4.14Å; F579-F581 AromaticContact CG-CE1 3.81Å; F579-F581 HydrophobicContact CG-CE1 3.81Å; F579-F581 HydrophobicContact CG-CE2 4.15Å; F579-F581 AromaticContact CG-CZ 3.47Å; F579-F581 HydrophobicContact CG-CZ 3.47Å; F579-F581 VanDerWaalsContact CG-CZ 3.47Å; F579-F581 PolarHBondContact O-N 3.36Å; F579-F591 HydrophobicContact CE1-CD1 4.36Å; F579-F591 HydrophobicContact CE1-CD2 4.26Å; F579-F591 AromaticContact CE1-CE1 3.8Å; F579-F591 HydrophobicContact CE1-CE1 3.8Å; F579-F591 AromaticContact CE1-CE2 3.69Å; F579-F591 HydrophobicContact CE1-CE2 3.69Å; F579-F591 AromaticContact CE1-CZ 3.44Å; F579-F591 HydrophobicContact CE1-CZ 3.44Å; F579-F591 VanDerWaalsContact CE1-CZ 3.44Å; F579-F591 AromaticContact CZ-CE1 3.89Å; F579-F591 HydrophobicContact CZ-CE1 3.89Å; F579-F591 HydrophobicContact CZ-CE2 4.42Å; F579-F591 AromaticContact CZ-CZ 3.72Å; F579-F591 HydrophobicContact CZ-CZ 3.72Å; F579-R609 PolarHBondContact N-O 2.93Å; F579-R609 WeakPolarHBondContact O-CA 3.5Å; F579-F611 HydrophobicContact CB-CD2 3.99Å; F579-F611 HydrophobicContact CB-CE2 4.41Å; F579-F611 HydrophobicContact CD2-CB 3.9Å; F579-F611 AromaticContact CD2-CD2 3.99Å; F579-F611 HydrophobicContact CD2-CD2 3.99Å; F579-F611 HydrophobicContact CD2-CG 4.37Å; F579-F611 HydrophobicContact CE2-CB 4.1Å; F579-F611 HydrophobicContact CG-CD2 4.36Å; F579-F613 HydrophobicContact CD2-CE2 4.22Å; F579-F613 HydrophobicContact CE1-CE2 4.46Å; F579-F613 HydrophobicContact CE2-CD2 4.06Å; F579-F613 AromaticContact CE2-CE2 3.67Å; F579-F613 HydrophobicContact CE2-CE2 3.67Å; F579-F613 HydrophobicContact CZ-CD2 4.05Å; F579-F613 AromaticContact CZ-CE2 3.77Å; F579-F613 HydrophobicContact CZ-CE2 3.77Å
580F76.8Confident88.2Confident36 Ų3641.9 Ų41.916%0.15821%0.21CC..EExtended strand (participates in β ladder)trans-97.851.9-177.4-154.2-104000113.9D545 R587 Y608D545-F580 HydrophobicContact CB-CD1 4.18Å; D545-F580 HydrophobicContact CB-CD2 3.53Å; D545-F580 HydrophobicContact CB-CE1 3.92Å; D545-F580 HydrophobicContact CB-CE2 3.21Å; D545-F580 HydrophobicContact CB-CG 4Å; D545-F580 HydrophobicContact CB-CZ 3.44Å; D545-F580 VanDerWaalsContact CB-CZ 3.44Å; D545-F580 WeakPolarHBondContact OD2-CE1 3.35Å; D545-F580 WeakPolarHBondContact OD2-CE2 3.3Å; D545-F580 WeakPolarHBondContact OD2-CZ 3.12Å; F580-R587 PolarHBondContact O-NH1 3.36Å; F580-Y608 AromaticContact CE2-CZ 3.99Å; F580-Y608 WeakPolarHBondContact CE2-OH 3.24Å; F580-Y608 WeakPolarHBondContact CZ-OH 3.49Å
581F83.3Confident88.5Confident5 Ų540 Ų402%0.02219%0.189CC..EExtended strand (participates in β ladder)trans-136.9157171.749.8-115.2000111.9E556 F579 R587 Y588 F591 Y608 F611 F613E556-F581 WeakPolarHBondContact OE1-CD1 3.41Å; F579-F581 HydrophobicContact CB-CD1 4.12Å; F579-F581 HydrophobicContact CB-CD2 4.28Å; F579-F581 HydrophobicContact CB-CE1 3.65Å; F579-F581 HydrophobicContact CB-CE2 3.8Å; F579-F581 HydrophobicContact CB-CG 4.43Å; F579-F581 HydrophobicContact CB-CZ 3.46Å; F579-F581 VanDerWaalsContact CB-CZ 3.46Å; F579-F581 AromaticContact CD1-CE1 3.46Å; F579-F581 HydrophobicContact CD1-CE1 3.46Å; F579-F581 VanDerWaalsContact CD1-CE1 3.46Å; F579-F581 AromaticContact CD1-CZ 3.46Å; F579-F581 HydrophobicContact CD1-CZ 3.46Å; F579-F581 VanDerWaalsContact CD1-CZ 3.46Å; F579-F581 HydrophobicContact CD2-CZ 4.21Å; F579-F581 HydrophobicContact CE1-CE1 4.29Å; F579-F581 HydrophobicContact CE1-CZ 4.14Å; F579-F581 AromaticContact CG-CE1 3.81Å; F579-F581 HydrophobicContact CG-CE1 3.81Å; F579-F581 HydrophobicContact CG-CE2 4.15Å; F579-F581 AromaticContact CG-CZ 3.47Å; F579-F581 HydrophobicContact CG-CZ 3.47Å; F579-F581 VanDerWaalsContact CG-CZ 3.47Å; F579-F581 PolarHBondContact O-N 3.36Å; F581-R587 HydrophobicContact CB-CB 4.09Å; F581-Y588 AromaticContact CD2-CD2 3.93Å; F581-Y588 HydrophobicContact CD2-CD2 3.93Å; F581-Y588 HydrophobicContact CD2-CG 4.34Å; F581-Y588 AromaticContact CE2-CD2 3.65Å; F581-Y588 HydrophobicContact CE2-CD2 3.65Å; F581-Y588 HydrophobicContact CE2-CG 4.4Å; F581-Y588 HydrophobicContact CZ-CD2 4.49Å; F581-F591 HydrophobicContact CE1-CB 4.07Å; F581-F591 HydrophobicContact CE1-CD1 4.49Å; F581-F591 HydrophobicContact CE1-CG 4.13Å; F581-F591 HydrophobicContact CZ-CB 4.45Å; F581-F591 HydrophobicContact CZ-CD1 4.24Å; F581-F591 HydrophobicContact CZ-CG 4.33Å; F581-Y608 WeakPolarHBondContact O-CD2 3.18Å; F581-F611 HydrophobicContact CD2-CD2 4.24Å; F581-F611 AromaticContact CD2-CE2 3.64Å; F581-F611 HydrophobicContact CD2-CE2 3.64Å; F581-F611 AromaticContact CD2-CZ 3.83Å; F581-F611 HydrophobicContact CD2-CZ 3.83Å; F581-F611 HydrophobicContact CE2-CD1 4.32Å; F581-F611 AromaticContact CE2-CD2 3.61Å; F581-F611 HydrophobicContact CE2-CD2 3.61Å; F581-F611 HydrophobicContact CE2-CE1 4.21Å; F581-F611 AromaticContact CE2-CE2 3.48Å; F581-F611 HydrophobicContact CE2-CE2 3.48Å; F581-F611 VanDerWaalsContact CE2-CE2 3.48Å; F581-F611 HydrophobicContact CE2-CG 4.04Å; F581-F611 AromaticContact CE2-CZ 3.81Å; F581-F611 HydrophobicContact CE2-CZ 3.81Å; F581-F611 HydrophobicContact CZ-CD2 4.41Å; F581-F611 WeakPolarHBondContact O-CE2 2.79Å; F581-F613 HydrophobicContact CE2-CZ 4.15Å; F581-F613 HydrophobicContact CZ-CE2 4.22Å; F581-F613 HydrophobicContact CZ-CZ 4.07Å
582R84.2Confident88.7Confident174 Ų17438.1 Ų38.166%0.65718%0.182SC*.EExtended strand (participates in β ladder)trans-87.5147.5168.7-68.5-179.1-179.9-179.4-0.3109.8H585 Y588 Y608R582-H585 HydrophobicContact CB-CB 4.47Å; R582-H585 VanDerWaalsContact O-CB 3.28Å; R582-H585 WeakPolarHBondContact O-CB 3.49Å; R582-H585 PolarHBondContact O-N 3.1Å; R582-Y588 WeakPolarHBondContact O-CB 3.17Å; R582-Y608 HydrophobicContact CB-CD2 4.4Å; R582-Y608 HydrophobicContact CG-CD2 3.5Å; R582-Y608 VanDerWaalsContact CG-CD2 3.5Å; R582-Y608 HydrophobicContact CG-CE2 3.91Å; R582-Y608 HydrophobicContact CG-CG 4.36Å
583A85.5Confident88.7Confident13 Ų1345.1 Ų45.111%0.10721%0.21CC..THydrogen-bonded Turntrans-51.3141.2173.100000111.1H585 R607 F611A583-H585 PolarHBondContact O-N 3.13Å; A583-R607 HydrophobicContact CB-CB 4.45Å; A583-R607 PolarHBondContact N-O 3.16Å; A583-F611 HydrophobicContact CB-CE1 4.15Å; A583-F611 HydrophobicContact CB-CZ 4.45Å
584R85Confident88.5Confident110 Ų11049.8 Ų49.842%0.41523%0.23SC..THydrogen-bonded Turntrans61.54.1179.9-54.2-171.6177.3176.7-6.4117Y588 N589 Y602R584-Y588 VanDerWaalsContact N-CD1 3.31Å; R584-N589 PolarHBondContact O-ND2 2.82Å; R584-Y602 HydrophobicContact CG-CE2 4.24Å; R584-Y602 PolarHBondContact NE-O 3.42Å; R584-Y602 PolarHBondContact NH2-O 3.33Å
585H86.1Confident88.3Confident102 Ų10249.8 Ų49.847%0.47223%0.23SC..SBendtrans-70.1161.6170.7-162.3-96.7000111.1R582 A583 R587 Y588 N589R582-H585 HydrophobicContact CB-CB 4.47Å; R582-H585 VanDerWaalsContact O-CB 3.28Å; R582-H585 WeakPolarHBondContact O-CB 3.49Å; R582-H585 PolarHBondContact O-N 3.1Å; A583-H585 PolarHBondContact O-N 3.13Å; H585-R587 VanDerWaalsContact C-N 3.26Å; H585-R587 PolarHBondContact O-N 3.41Å; H585-Y588 WeakPolarHBondContact O-CB 3.28Å; H585-Y588 PolarHBondContact O-N 2.89Å; H585-Y588 VanDerWaalsContact O-N 3.11Å; H585-N589 PolarHBondContact O-N 2.63Å; H585-N589 PolarHBondContact O-ND2 3.41Å
586S85.8Confident88.2Confident68 Ų6852.1 Ų52.148%0.47625%0.246SC..Hα-helixtrans-54-41.5-179.459.20000113.1N589 N590S586-N589 PolarHBondContact O-N 3.3Å; S586-N590 WeakPolarHBondContact O-CB 3.38Å; S586-N590 PolarHBondContact O-N 3.45Å; S586-N590 PolarHBondContact O-ND2 3.34Å
587R85.5Confident88.2Confident57 Ų5752.6 Ų52.622%0.21525%0.249CC..Hα-helixtrans-62.9-45.7176.5-69.5178.463.8-174.60.6113.1E556 F580 F581 H585 N590 F591E556-R587 IonicContact OE1-CZ 3.52Å; E556-R587 IonicContact OE1-NE 3.51Å; E556-R587 IonicContact OE1-NH2 2.62Å; E556-R587 PolarHBondContact OE1-NH2 3.42Å; E556-R587 IonicContact OE2-CZ 3.18Å; E556-R587 IonicContact OE2-NE 2.88Å; E556-R587 PolarHBondContact OE2-NE 2.86Å; E556-R587 IonicContact OE2-NH2 2.67Å; E556-R587 PolarHBondContact OE2-NH2 2.92Å; F580-R587 PolarHBondContact O-NH1 3.36Å; F581-R587 HydrophobicContact CB-CB 4.09Å; H585-R587 VanDerWaalsContact C-N 3.26Å; H585-R587 PolarHBondContact O-N 3.41Å; R587-N590 PolarHBondContact O-N 2.95Å; R587-F591 PolarHBondContact O-N 2.79Å
588Y90Very high88.3Confident3 Ų356.9 Ų56.91%0.01227%0.268CS..Hα-helixtrans-57-50.9174.4163.9-84.5000110.5F581 R582 R584 H585 N590 F591 V592 D599 Y602 F611 F613F581-Y588 AromaticContact CD2-CD2 3.93Å; F581-Y588 HydrophobicContact CD2-CD2 3.93Å; F581-Y588 HydrophobicContact CD2-CG 4.34Å; F581-Y588 AromaticContact CE2-CD2 3.65Å; F581-Y588 HydrophobicContact CE2-CD2 3.65Å; F581-Y588 HydrophobicContact CE2-CG 4.4Å; F581-Y588 HydrophobicContact CZ-CD2 4.49Å; R582-Y588 WeakPolarHBondContact O-CB 3.17Å; R584-Y588 VanDerWaalsContact N-CD1 3.31Å; H585-Y588 WeakPolarHBondContact O-CB 3.28Å; H585-Y588 PolarHBondContact O-N 2.89Å; H585-Y588 VanDerWaalsContact O-N 3.11Å; Y588-N590 VanDerWaalsContact C-N 3.3Å; Y588-N590 PolarHBondContact O-N 3.32Å; Y588-F591 PolarHBondContact O-N 2.82Å; Y588-F591 VanDerWaalsContact O-N 3.16Å; Y588-V592 HydrophobicContact CD1-CG2 4.45Å; Y588-V592 HydrophobicContact CD2-CG2 4.43Å; Y588-V592 HydrophobicContact CE1-CG2 3.95Å; Y588-V592 HydrophobicContact CE2-CG2 3.98Å; Y588-V592 WeakPolarHBondContact O-CG2 3.27Å; Y588-V592 PolarHBondContact O-N 3.43Å; Y588-D599 WeakPolarHBondContact OH-CB 3.33Å; Y588-D599 VanDerWaalsContact OH-CG 3.25Å; Y588-D599 PolarHBondContact OH-OD2 2.71Å; Y588-Y602 HydrophobicContact CE1-CD2 4.35Å; Y588-Y602 HydrophobicContact CE1-CE2 4.2Å; Y588-F611 HydrophobicContact CD2-CD1 4.46Å; Y588-F611 HydrophobicContact CD2-CE1 4.06Å; Y588-F611 HydrophobicContact CE2-CD1 4.23Å; Y588-F611 HydrophobicContact CE2-CE1 4.09Å; Y588-F613 HydrophobicContact CD2-CE1 4.4Å; Y588-F613 HydrophobicContact CD2-CZ 4.2Å; Y588-F613 AromaticContact CE2-CE1 3.62Å; Y588-F613 HydrophobicContact CE2-CE1 3.62Å; Y588-F613 AromaticContact CE2-CZ 3.82Å; Y588-F613 HydrophobicContact CE2-CZ 3.82Å
589N89.9Confident88.7Confident68 Ų6856.6 Ų56.636%0.36427%0.266SS..Hα-helixtrans-63.3-38.6-179.7-67.9-32.7000111.6R584 H585 S586 K593R584-N589 PolarHBondContact O-ND2 2.82Å; H585-N589 PolarHBondContact O-N 2.63Å; H585-N589 PolarHBondContact O-ND2 3.41Å; S586-N589 PolarHBondContact O-N 3.3Å; N589-K593 VanDerWaalsContact O-CB 3.25Å; N589-K593 WeakPolarHBondContact O-CB 3.48Å; N589-K593 PolarHBondContact O-N 3.48Å
590N89.2Confident89Confident88 Ų8856.6 Ų56.647%0.47127%0.266SS..Hα-helixtrans-64-40.7175.6-75.1-21.9000112.2S586 R587 Y588 K594S586-N590 WeakPolarHBondContact O-CB 3.38Å; S586-N590 PolarHBondContact O-N 3.45Å; S586-N590 PolarHBondContact O-ND2 3.34Å; R587-N590 PolarHBondContact O-N 2.95Å; Y588-N590 VanDerWaalsContact C-N 3.3Å; Y588-N590 PolarHBondContact O-N 3.32Å; N590-K594 VanDerWaalsContact O-CB 3.29Å; N590-K594 WeakPolarHBondContact O-CB 3.36Å; N590-K594 VanDerWaalsContact O-CG 3.24Å; N590-K594 WeakPolarHBondContact O-CG 3.45Å; N590-K594 PolarHBondContact O-N 3.41Å
591F91.3Very high89.6Confident6 Ų655.1 Ų55.13%0.02626%0.26CS..Hα-helixtrans-63.6-54.5176.1178.9-94000110.9E556 V559 A560 V575 F579 F581 R587 Y588 K593 K594 A595 V597 F613E556-F591 HydrophobicContact CB-CD2 4.43Å; E556-F591 WeakPolarHBondContact O-CD2 3.44Å; V559-F591 HydrophobicContact CB-CE2 4.1Å; V559-F591 HydrophobicContact CG1-CE2 3.83Å; V559-F591 HydrophobicContact CG1-CZ 3.99Å; A560-F591 HydrophobicContact CB-CD2 3.89Å; A560-F591 HydrophobicContact CB-CE2 3.88Å; V575-F591 HydrophobicContact CG1-CZ 4.42Å; F579-F591 HydrophobicContact CE1-CD1 4.36Å; F579-F591 HydrophobicContact CE1-CD2 4.26Å; F579-F591 AromaticContact CE1-CE1 3.8Å; F579-F591 HydrophobicContact CE1-CE1 3.8Å; F579-F591 AromaticContact CE1-CE2 3.69Å; F579-F591 HydrophobicContact CE1-CE2 3.69Å; F579-F591 AromaticContact CE1-CZ 3.44Å; F579-F591 HydrophobicContact CE1-CZ 3.44Å; F579-F591 VanDerWaalsContact CE1-CZ 3.44Å; F579-F591 AromaticContact CZ-CE1 3.89Å; F579-F591 HydrophobicContact CZ-CE1 3.89Å; F579-F591 HydrophobicContact CZ-CE2 4.42Å; F579-F591 AromaticContact CZ-CZ 3.72Å; F579-F591 HydrophobicContact CZ-CZ 3.72Å; F581-F591 HydrophobicContact CE1-CB 4.07Å; F581-F591 HydrophobicContact CE1-CD1 4.49Å; F581-F591 HydrophobicContact CE1-CG 4.13Å; F581-F591 HydrophobicContact CZ-CB 4.45Å; F581-F591 HydrophobicContact CZ-CD1 4.24Å; F581-F591 HydrophobicContact CZ-CG 4.33Å; R587-F591 PolarHBondContact O-N 2.79Å; Y588-F591 PolarHBondContact O-N 2.82Å; Y588-F591 VanDerWaalsContact O-N 3.16Å; F591-K593 VanDerWaalsContact C-N 3.3Å; F591-K593 PolarHBondContact O-N 3.15Å; F591-K594 PolarHBondContact O-N 3.35Å; F591-K594 VanDerWaalsContact O-N 3.12Å; F591-A595 HydrophobicContact CE1-CB 4.27Å; F591-A595 HydrophobicContact CZ-CB 4.23Å; F591-A595 VanDerWaalsContact O-CB 3.31Å; F591-A595 WeakPolarHBondContact O-CB 3.06Å; F591-A595 PolarHBondContact O-N 3.06Å; F591-V597 HydrophobicContact CE1-CG2 4.45Å; F591-F613 HydrophobicContact CD1-CD2 4.47Å; F591-F613 HydrophobicContact CD1-CE2 4.02Å; F591-F613 HydrophobicContact CD1-CZ 4.18Å; F591-F613 AromaticContact CE1-CD2 3.83Å; F591-F613 HydrophobicContact CE1-CD2 3.83Å; F591-F613 AromaticContact CE1-CE2 3.73Å; F591-F613 HydrophobicContact CE1-CE2 3.73Å; F591-F613 HydrophobicContact CE1-CG 4.47Å; F591-F613 HydrophobicContact CE1-CZ 4.33Å
592V92.5Very high89.7Confident29 Ų2960.7 Ų60.718%0.17628%0.282CS..Hα-helixtrans-54.2-46.4179.6172.30000111.2Y588 S596 V597 F613Y588-V592 HydrophobicContact CD1-CG2 4.45Å; Y588-V592 HydrophobicContact CD2-CG2 4.43Å; Y588-V592 HydrophobicContact CE1-CG2 3.95Å; Y588-V592 HydrophobicContact CE2-CG2 3.98Å; Y588-V592 WeakPolarHBondContact O-CG2 3.27Å; Y588-V592 PolarHBondContact O-N 3.43Å; V592-S596 PolarHBondContact O-N 2.57Å; V592-S596 VanDerWaalsContact O-N 3.16Å; V592-V597 VanDerWaalsContact CG1-O 3.25Å; V592-V597 WeakPolarHBondContact CG1-O 3.45Å; V592-V597 PolarHBondContact O-N 3.44Å; V592-F613 HydrophobicContact CG2-CD1 4.15Å; V592-F613 HydrophobicContact CG2-CE1 3.59Å; V592-F613 HydrophobicContact CG2-CZ 4.28Å
593K92.8Very high89.7Confident173 Ų17355.5 Ų55.575%0.75228%0.276SS*.Hα-helixtrans-65.6-42178.4-175.8177179.7178.10112.9N589 F591N589-K593 VanDerWaalsContact O-CB 3.25Å; N589-K593 WeakPolarHBondContact O-CB 3.48Å; N589-K593 PolarHBondContact O-N 3.48Å; F591-K593 VanDerWaalsContact C-N 3.3Å; F591-K593 PolarHBondContact O-N 3.15Å
594K92.4Very high89.6Confident98 Ų9855.6 Ų55.643%0.42628%0.275SS..Hα-helixtrans-74.3-39-177.6-77.2179.4178.8-178.60112.8A560 K564 N590 F591 S596A560-K594 HydrophobicContact CB-CB 3.85Å; K564-K594 WeakPolarHBondContact CD-O 3.27Å; N590-K594 VanDerWaalsContact O-CB 3.29Å; N590-K594 WeakPolarHBondContact O-CB 3.36Å; N590-K594 VanDerWaalsContact O-CG 3.24Å; N590-K594 WeakPolarHBondContact O-CG 3.45Å; N590-K594 PolarHBondContact O-N 3.41Å; F591-K594 PolarHBondContact O-N 3.35Å; F591-K594 VanDerWaalsContact O-N 3.12Å; K594-S596 VanDerWaalsContact C-N 3.25Å; K594-S596 PolarHBondContact O-N 2.96Å
595A92.2Very high89.5Confident0 Ų053.7 Ų53.70%028%0.275CS..Hα-helixtrans-77.6-11.7179.600000112.8A560 V563 T567 F591 V597A560-A595 HydrophobicContact CB-CB 3.95Å; V563-A595 HydrophobicContact CB-CB 4.24Å; V563-A595 HydrophobicContact CG1-CB 4.03Å; T567-A595 PolarHBondContact OG1-O 3.13Å; F591-A595 HydrophobicContact CE1-CB 4.27Å; F591-A595 HydrophobicContact CZ-CB 4.23Å; F591-A595 VanDerWaalsContact O-CB 3.31Å; F591-A595 WeakPolarHBondContact O-CB 3.06Å; F591-A595 PolarHBondContact O-N 3.06Å; A595-V597 VanDerWaalsContact C-N 3.32Å; A595-V597 HydrophobicContact CB-CG1 4.05Å; A595-V597 HydrophobicContact CB-CG2 3.98Å; A595-V597 PolarHBondContact O-N 3.15Å
596S93.2Very high89.2Confident49 Ų4956.4 Ų56.434%0.34329%0.288SS..THydrogen-bonded Turntrans55.244.7-175.3-59.40000112.8V592 K594 Q615V592-S596 PolarHBondContact O-N 2.57Å; V592-S596 VanDerWaalsContact O-N 3.16Å; K594-S596 VanDerWaalsContact C-N 3.25Å; K594-S596 PolarHBondContact O-N 2.96Å; S596-Q615 WeakPolarHBondContact O-CG 3.46Å; S596-Q615 PolarHBondContact O-OE1 3.06Å
597V94.2Very high89.1Confident10 Ų1053.2 Ų53.26%0.06127%0.265CS..  trans-114.9160.6-178.8-630000111.8V563 T567 V575 F591 V592 A595 F613 Q615V563-V597 HydrophobicContact CG1-CG1 3.67Å; T567-V597 HydrophobicContact CG2-CG1 3.99Å; V575-V597 HydrophobicContact CG2-CG1 4.26Å; F591-V597 HydrophobicContact CE1-CG2 4.45Å; V592-V597 VanDerWaalsContact CG1-O 3.25Å; V592-V597 WeakPolarHBondContact CG1-O 3.45Å; V592-V597 PolarHBondContact O-N 3.44Å; A595-V597 VanDerWaalsContact C-N 3.32Å; A595-V597 HydrophobicContact CB-CG1 4.05Å; A595-V597 HydrophobicContact CB-CG2 3.98Å; A595-V597 PolarHBondContact O-N 3.15Å; V597-F613 HydrophobicContact CB-CB 3.94Å; V597-F613 HydrophobicContact CG2-CB 3.7Å; V597-F613 HydrophobicContact CG2-CD1 4.01Å; V597-F613 HydrophobicContact CG2-CG 3.93Å; V597-Q615 HydrophobicContact CG1-CB 4.46Å
598K93.3Very high88.8Confident89 Ų8953.9 Ų53.939%0.38727%0.268SS..EExtended strand (participates in β ladder)trans-103.6153.6168.8-60.8175.7-174.5175.50109.9F613 Y614 D649K598-F613 CarbonylContact O-C 3.6Å; K598-F613 WeakPolarHBondContact O-CA 3.41Å; K598-F613 WeakPolarHBondContact O-CB 3.34Å; K598-Y614 HydrophobicContact CB-CD1 4.26Å; K598-Y614 HydrophobicContact CB-CD2 4.41Å; K598-Y614 HydrophobicContact CB-CE1 3.81Å; K598-Y614 HydrophobicContact CB-CE2 3.99Å; K598-Y614 HydrophobicContact CD-CE2 3.98Å; K598-Y614 PolarHBondContact N-O 2.93Å; K598-Y614 WeakPolarHBondContact O-CD1 3.17Å; K598-Y614 PolarHBondContact O-N 2.9Å; K598-D649 IonicContact NZ-OD2 3.01Å
599D93.5Very high88.4Confident10 Ų1059.7 Ų59.75%0.05329%0.29CS..EExtended strand (participates in β ladder)trans-100.2136.6177.9173.522.5000111Y588 D601 Y602 R607 F613 K619Y588-D599 WeakPolarHBondContact OH-CB 3.33Å; Y588-D599 VanDerWaalsContact OH-CG 3.25Å; Y588-D599 PolarHBondContact OH-OD2 2.71Å; D599-D601 PolarHBondContact O-N 3.49Å; D599-D601 PolarHBondContact OD1-N 3.41Å; D599-Y602 VanDerWaalsContact OD2-CA 3.26Å; D599-Y602 WeakPolarHBondContact OD2-CA 3.08Å; D599-Y602 PolarHBondContact OD2-N 3.21Å; D599-R607 IonicContact OD1-CZ 2.76Å; D599-R607 VanDerWaalsContact OD1-CZ 3.31Å; D599-R607 IonicContact OD1-NH1 3.44Å; D599-R607 PolarHBondContact OD1-NH1 3.33Å; D599-R607 IonicContact OD1-NH2 3.99Å; D599-R607 PolarHBondContact OD1-NH2 3.31Å; D599-R607 IonicContact OD2-CZ 3.32Å; D599-R607 IonicContact OD2-NH2 3.78Å; D599-R607 PolarHBondContact OD2-NH2 3.14Å; D599-F613 HydrophobicContact CB-CD1 3.85Å; D599-F613 HydrophobicContact CB-CE1 3.93Å; D599-K619 PolarHBondContact O-NZ 2.81Å
600I92.7Very high88.3Confident0 Ų056.9 Ų56.90%028%0.275CS..THydrogen-bonded Turntrans-55.3-41.2-179.1-169.161.9000111.3I612 K619 Y622 A638 F640 F694I600-I612 HydrophobicContact CB-CB 4.38Å; I600-I612 WeakPolarHBondContact CB-O 3.39Å; I600-I612 HydrophobicContact CG2-CB 3.98Å; I600-I612 VanDerWaalsContact CG2-O 3.32Å; I600-I612 WeakPolarHBondContact CG2-O 3.38Å; I600-I612 PolarHBondContact N-O 2.92Å; I600-I612 VanDerWaalsContact N-O 3.15Å; I600-K619 HydrophobicContact CD1-CB 3.51Å; I600-K619 HydrophobicContact CD1-CD 4.02Å; I600-K619 HydrophobicContact CD1-CG 4.45Å; I600-K619 WeakPolarHBondContact O-CD 2.82Å; I600-K619 PolarHBondContact O-NZ 3.11Å; I600-Y622 HydrophobicContact CB-CD2 4.39Å; I600-Y622 HydrophobicContact CG1-CD2 3.62Å; I600-Y622 HydrophobicContact CG1-CE2 4.42Å; I600-Y622 HydrophobicContact CG1-CG 3.82Å; I600-Y622 HydrophobicContact CG2-CD2 3.79Å; I600-Y622 HydrophobicContact CG2-CE2 3.75Å; I600-Y622 HydrophobicContact CG2-CG 4.3Å; I600-A638 HydrophobicContact CD1-CB 4.12Å; I600-A638 HydrophobicContact CG1-CB 4.14Å; I600-F640 HydrophobicContact CD1-CE1 3.93Å; I600-F640 HydrophobicContact CD1-CZ 4.03Å; I600-F694 HydrophobicContact CD1-CE2 4.36Å; I600-F694 WeakPolarHBondContact O-CZ 3.14Å
601D89.3Confident88.4Confident5 Ų552.7 Ų52.73%0.02725%0.253CS..THydrogen-bonded Turntrans-143.966.1-172-170.711.2000113.8D599 A603 D604 R607 Y622 K692D599-D601 PolarHBondContact O-N 3.49Å; D599-D601 PolarHBondContact OD1-N 3.41Å; D601-A603 PolarHBondContact O-N 3.26Å; D601-D604 PolarHBondContact O-N 3.32Å; D601-D604 WeakPolarHBondContact OD2-CB 3.47Å; D601-R607 VanDerWaalsContact O-CZ 3.27Å; D601-R607 PolarHBondContact O-NE 3.02Å; D601-R607 PolarHBondContact O-NH2 3.25Å; D601-Y622 HydrophobicContact CB-CD1 3.82Å; D601-Y622 HydrophobicContact CB-CE1 3.86Å; D601-K692 IonicContact OD1-NZ 2.79Å; D601-K692 PolarHBondContact OD1-NZ 3.45Å; D601-K692 WeakPolarHBondContact OD2-CD 3.28Å; D601-K692 WeakPolarHBondContact OD2-CE 3.45Å; D601-K692 IonicContact OD2-NZ 2.77Å; D601-K692 PolarHBondContact OD2-NZ 2.98Å
602Y85.5Confident88.6Confident123 Ų12352.4 Ų52.448%0.48225%0.252SS..THydrogen-bonded Turntrans-52.4-19.3177.4-176.2-99.4000114.9R584 Y588 D599R584-Y602 HydrophobicContact CG-CE2 4.24Å; R584-Y602 PolarHBondContact NE-O 3.42Å; R584-Y602 PolarHBondContact NH2-O 3.33Å; Y588-Y602 HydrophobicContact CE1-CD2 4.35Å; Y588-Y602 HydrophobicContact CE1-CE2 4.2Å; D599-Y602 VanDerWaalsContact OD2-CA 3.26Å; D599-Y602 WeakPolarHBondContact OD2-CA 3.08Å; D599-Y602 PolarHBondContact OD2-N 3.21Å
603A84.2Confident88.7Confident65 Ų6551 Ų5154%0.53724%0.243SC..THydrogen-bonded Turntrans-80.8-23.1179.800000113.9D601 V605D601-A603 PolarHBondContact O-N 3.26Å; A603-V605 PolarHBondContact O-N 2.84Å
604D83.7Confident88.9Confident15 Ų1543 Ų438%0.0821%0.208CC..  trans-83.598178.6-174.6-1.2000111D601 H606 R607 R624D601-D604 PolarHBondContact O-N 3.32Å; D601-D604 WeakPolarHBondContact OD2-CB 3.47Å; D604-H606 VanDerWaalsContact C-N 3.29Å; D604-H606 WeakPolarHBondContact OD1-CB 3.43Å; D604-H606 IonicContact OD1-CD2 2.77Å; D604-H606 PolarHBondContact OD1-N 2.88Å; D604-R607 HydrophobicContact CB-CG 3.82Å; D604-R607 WeakPolarHBondContact OD2-CG 3.28Å; D604-R624 IonicContact OD1-NH1 3.34Å; D604-R624 IonicContact OD2-CZ 3.36Å; D604-R624 VanDerWaalsContact OD2-CZ 3.32Å; D604-R624 IonicContact OD2-NE 2.78Å; D604-R624 PolarHBondContact OD2-NE 3.07Å; D604-R624 IonicContact OD2-NH1 2.87Å; D604-R624 PolarHBondContact OD2-NH1 2.87Å
605V83.3Confident89Confident69 Ų6940.1 Ų40.142%0.41820%0.196SC..THydrogen-bonded Turntrans-78.5-12.5178.4-62.40000113.4A603 R607A603-V605 PolarHBondContact O-N 2.84Å; V605-R607 VanDerWaalsContact C-N 3.29Å
606H80Confident88.9Confident159 Ų15942 Ų4274%0.73621%0.206SC*.THydrogen-bonded Turntrans-86.4-3.8179.8-57.9-68.3000112.1D604 Y608D604-H606 VanDerWaalsContact C-N 3.29Å; D604-H606 WeakPolarHBondContact OD1-CB 3.43Å; D604-H606 IonicContact OD1-CD2 2.77Å; D604-H606 PolarHBondContact OD1-N 2.88Å; H606-Y608 PolarHBondContact O-N 2.75Å
607R82.9Confident88.9Confident1 Ų139.8 Ų39.80%0.00419%0.191CC..  trans-68.2128.1175.3-57.3-162.9-79.1140.318.4111.4A583 D599 D601 D604 V605 F611 Y622 R624A583-R607 HydrophobicContact CB-CB 4.45Å; A583-R607 PolarHBondContact N-O 3.16Å; D599-R607 IonicContact OD1-CZ 2.76Å; D599-R607 VanDerWaalsContact OD1-CZ 3.31Å; D599-R607 IonicContact OD1-NH1 3.44Å; D599-R607 PolarHBondContact OD1-NH1 3.33Å; D599-R607 IonicContact OD1-NH2 3.99Å; D599-R607 PolarHBondContact OD1-NH2 3.31Å; D599-R607 IonicContact OD2-CZ 3.32Å; D599-R607 IonicContact OD2-NH2 3.78Å; D599-R607 PolarHBondContact OD2-NH2 3.14Å; D601-R607 VanDerWaalsContact O-CZ 3.27Å; D601-R607 PolarHBondContact O-NE 3.02Å; D601-R607 PolarHBondContact O-NH2 3.25Å; D604-R607 HydrophobicContact CB-CG 3.82Å; D604-R607 WeakPolarHBondContact OD2-CG 3.28Å; V605-R607 VanDerWaalsContact C-N 3.29Å; R607-F611 HydrophobicContact CB-CE1 3.94Å; R607-F611 HydrophobicContact CB-CZ 4.22Å; R607-Y622 WeakPolarHBondContact CD-OH 3.5Å; R607-R624 VanDerWaalsContact CG-CZ 3.47Å
608Y79.3Confident88.8Confident71 Ų7140 Ų4028%0.27819%0.19SC..EExtended strand (participates in β ladder)trans-142.4147.5175.9-177.8-122.8000108.1F580 F581 R582 H606 M610F580-Y608 AromaticContact CE2-CZ 3.99Å; F580-Y608 WeakPolarHBondContact CE2-OH 3.24Å; F580-Y608 WeakPolarHBondContact CZ-OH 3.49Å; F581-Y608 WeakPolarHBondContact O-CD2 3.18Å; R582-Y608 HydrophobicContact CB-CD2 4.4Å; R582-Y608 HydrophobicContact CG-CD2 3.5Å; R582-Y608 VanDerWaalsContact CG-CD2 3.5Å; R582-Y608 HydrophobicContact CG-CE2 3.91Å; R582-Y608 HydrophobicContact CG-CG 4.36Å; H606-Y608 PolarHBondContact O-N 2.75Å; Y608-M610 VanDerWaalsContact C-N 3.26Å; Y608-M610 PolarHBondContact O-N 3.34Å
609R81.2Confident88.7Confident125 Ų12537 Ų3747%0.47218%0.177SC..EExtended strand (participates in β ladder)trans68.8-62-178.7-67.8177.2179.9-172-1.3115.3N578 F579N578-R609 CarbonylContact C-O 3.53Å; N578-R609 WeakPolarHBondContact CA-O 3.35Å; N578-R609 WeakPolarHBondContact OD1-CB 3.26Å; N578-R609 PolarHBondContact OD1-O 3.07Å; F579-R609 PolarHBondContact N-O 2.93Å; F579-R609 WeakPolarHBondContact O-CA 3.5Å
610M87.3Confident88.6Confident10 Ų1036.7 Ų36.75%0.04918%0.176CC..EExtended strand (participates in β ladder)trans-101.3124.3-172.6-67.8177.367.700112.8L432 T434 L465 G577 Y608 D634 Q636L432-M610 HydrophobicContact CD1-CE 4.33Å; L432-M610 HydrophobicContact CD2-CB 4.37Å; L432-M610 HydrophobicContact CD2-CE 3.62Å; L432-M610 HydrophobicContact CG-CE 3.48Å; L432-M610 VanDerWaalsContact CG-CE 3.48Å; T434-M610 HydrophobicContact CG2-CE 4.4Å; T434-M610 HydrophobicContact CG2-SD 4.06Å; L465-M610 HydrophobicContact CD1-CE 4.42Å; G577-M610 WeakPolarHBondContact O-CA 3.09Å; Y608-M610 VanDerWaalsContact C-N 3.26Å; Y608-M610 PolarHBondContact O-N 3.34Å; M610-D634 HydrophobicContact CB-CB 4.37Å; M610-D634 WeakPolarHBondContact CE-O 3.4Å; M610-D634 HydrophobicContact CG-CB 4.45Å; M610-D634 HydrophobicContact SD-CB 3.66Å; M610-D634 VanDerWaalsContact SD-O 3.41Å; M610-Q636 VanDerWaalsContact CB-NE2 3.35Å; M610-Q636 PolarHBondContact O-NE2 3.39Å
611F92Very high88.5Confident0 Ų036.7 Ų36.70%018%0.176CC..EExtended strand (participates in β ladder)trans-132.9149.8-179.3-66.8-92.8000111.8A576 G577 F579 F581 A583 Y588 R607 F613A576-F611 VanDerWaalsContact CA-O 3.31Å; A576-F611 WeakPolarHBondContact CA-O 3.27Å; G577-F611 PolarHBondContact N-O 2.9Å; G577-F611 VanDerWaalsContact N-O 3.11Å; G577-F611 PolarHBondContact O-N 3.46Å; G577-F611 VanDerWaalsContact O-N 3.1Å; F579-F611 HydrophobicContact CB-CD2 3.99Å; F579-F611 HydrophobicContact CB-CE2 4.41Å; F579-F611 HydrophobicContact CD2-CB 3.9Å; F579-F611 AromaticContact CD2-CD2 3.99Å; F579-F611 HydrophobicContact CD2-CD2 3.99Å; F579-F611 HydrophobicContact CD2-CG 4.37Å; F579-F611 HydrophobicContact CE2-CB 4.1Å; F579-F611 HydrophobicContact CG-CD2 4.36Å; F581-F611 HydrophobicContact CD2-CD2 4.24Å; F581-F611 AromaticContact CD2-CE2 3.64Å; F581-F611 HydrophobicContact CD2-CE2 3.64Å; F581-F611 AromaticContact CD2-CZ 3.83Å; F581-F611 HydrophobicContact CD2-CZ 3.83Å; F581-F611 HydrophobicContact CE2-CD1 4.32Å; F581-F611 AromaticContact CE2-CD2 3.61Å; F581-F611 HydrophobicContact CE2-CD2 3.61Å; F581-F611 HydrophobicContact CE2-CE1 4.21Å; F581-F611 AromaticContact CE2-CE2 3.48Å; F581-F611 HydrophobicContact CE2-CE2 3.48Å; F581-F611 VanDerWaalsContact CE2-CE2 3.48Å; F581-F611 HydrophobicContact CE2-CG 4.04Å; F581-F611 AromaticContact CE2-CZ 3.81Å; F581-F611 HydrophobicContact CE2-CZ 3.81Å; F581-F611 HydrophobicContact CZ-CD2 4.41Å; F581-F611 WeakPolarHBondContact O-CE2 2.79Å; A583-F611 HydrophobicContact CB-CE1 4.15Å; A583-F611 HydrophobicContact CB-CZ 4.45Å; Y588-F611 HydrophobicContact CD2-CD1 4.46Å; Y588-F611 HydrophobicContact CD2-CE1 4.06Å; Y588-F611 HydrophobicContact CE2-CD1 4.23Å; Y588-F611 HydrophobicContact CE2-CE1 4.09Å; R607-F611 HydrophobicContact CB-CE1 3.94Å; R607-F611 HydrophobicContact CB-CZ 4.22Å; F611-F613 HydrophobicContact CB-CD2 4.15Å; F611-F613 HydrophobicContact CB-CE2 3.45Å; F611-F613 VanDerWaalsContact CB-CE2 3.45Å; F611-F613 HydrophobicContact CB-CZ 3.72Å; F611-F613 HydrophobicContact CD1-CZ 4Å; F611-F613 HydrophobicContact CG-CE2 4.12Å; F611-F613 AromaticContact CG-CZ 3.97Å; F611-F613 HydrophobicContact CG-CZ 3.97Å
612I94.7Very high88.6Confident0 Ų036.5 Ų36.50%018%0.175CC..EExtended strand (participates in β ladder)trans-122.8113.5170.2-57.3174.5000107.7L430 L432 V575 A576 I600 Y622 Q636 A638 F640L430-I612 HydrophobicContact CD2-CD1 4.48Å; L430-I612 HydrophobicContact CD2-CG2 4.12Å; L432-I612 HydrophobicContact CB-CD1 4.44Å; L432-I612 HydrophobicContact CD2-CG1 4.19Å; V575-I612 CarbonylContact O-C 3.35Å; V575-I612 WeakPolarHBondContact O-CA 3.42Å; A576-I612 HydrophobicContact CB-CB 4.47Å; A576-I612 HydrophobicContact CB-CG1 4.03Å; A576-I612 HydrophobicContact CB-CG2 4.36Å; I600-I612 HydrophobicContact CB-CB 4.38Å; I600-I612 WeakPolarHBondContact CB-O 3.39Å; I600-I612 HydrophobicContact CG2-CB 3.98Å; I600-I612 VanDerWaalsContact CG2-O 3.32Å; I600-I612 WeakPolarHBondContact CG2-O 3.38Å; I600-I612 PolarHBondContact N-O 2.92Å; I600-I612 VanDerWaalsContact N-O 3.15Å; I612-Y622 HydrophobicContact CD1-CE2 4.38Å; I612-Q636 HydrophobicContact CD1-CB 3.92Å; I612-A638 HydrophobicContact CD1-CB 3.96Å; I612-A638 HydrophobicContact CG2-CB 4.32Å; I612-F640 HydrophobicContact CG2-CE2 4.33Å; I612-F640 HydrophobicContact CG2-CZ 3.87Å
613F95.8Very high88.8Confident0 Ų030.6 Ų30.60%015%0.152CC..EExtended strand (participates in β ladder)trans-109.6155.7171.9-53.1-79.7000110.2L574 V575 F579 F581 Y588 F591 V592 V597 K598 D599 F611L574-F613 WeakPolarHBondContact CA-O 3.12Å; V575-F613 HydrophobicContact CB-CB 4.14Å; V575-F613 HydrophobicContact CB-CD2 4.34Å; V575-F613 PolarHBondContact N-O 3.19Å; V575-F613 PolarHBondContact O-N 3.22Å; F579-F613 HydrophobicContact CD2-CE2 4.22Å; F579-F613 HydrophobicContact CE1-CE2 4.46Å; F579-F613 HydrophobicContact CE2-CD2 4.06Å; F579-F613 AromaticContact CE2-CE2 3.67Å; F579-F613 HydrophobicContact CE2-CE2 3.67Å; F579-F613 HydrophobicContact CZ-CD2 4.05Å; F579-F613 AromaticContact CZ-CE2 3.77Å; F579-F613 HydrophobicContact CZ-CE2 3.77Å; F581-F613 HydrophobicContact CE2-CZ 4.15Å; F581-F613 HydrophobicContact CZ-CE2 4.22Å; F581-F613 HydrophobicContact CZ-CZ 4.07Å; Y588-F613 HydrophobicContact CD2-CE1 4.4Å; Y588-F613 HydrophobicContact CD2-CZ 4.2Å; Y588-F613 AromaticContact CE2-CE1 3.62Å; Y588-F613 HydrophobicContact CE2-CE1 3.62Å; Y588-F613 AromaticContact CE2-CZ 3.82Å; Y588-F613 HydrophobicContact CE2-CZ 3.82Å; F591-F613 HydrophobicContact CD1-CD2 4.47Å; F591-F613 HydrophobicContact CD1-CE2 4.02Å; F591-F613 HydrophobicContact CD1-CZ 4.18Å; F591-F613 AromaticContact CE1-CD2 3.83Å; F591-F613 HydrophobicContact CE1-CD2 3.83Å; F591-F613 AromaticContact CE1-CE2 3.73Å; F591-F613 HydrophobicContact CE1-CE2 3.73Å; F591-F613 HydrophobicContact CE1-CG 4.47Å; F591-F613 HydrophobicContact CE1-CZ 4.33Å; V592-F613 HydrophobicContact CG2-CD1 4.15Å; V592-F613 HydrophobicContact CG2-CE1 3.59Å; V592-F613 HydrophobicContact CG2-CZ 4.28Å; V597-F613 HydrophobicContact CB-CB 3.94Å; V597-F613 HydrophobicContact CG2-CB 3.7Å; V597-F613 HydrophobicContact CG2-CD1 4.01Å; V597-F613 HydrophobicContact CG2-CG 3.93Å; K598-F613 CarbonylContact O-C 3.6Å; K598-F613 WeakPolarHBondContact O-CA 3.41Å; K598-F613 WeakPolarHBondContact O-CB 3.34Å; D599-F613 HydrophobicContact CB-CD1 3.85Å; D599-F613 HydrophobicContact CB-CE1 3.93Å; F611-F613 HydrophobicContact CB-CD2 4.15Å; F611-F613 HydrophobicContact CB-CE2 3.45Å; F611-F613 VanDerWaalsContact CB-CE2 3.45Å; F611-F613 HydrophobicContact CB-CZ 3.72Å; F611-F613 HydrophobicContact CD1-CZ 4Å; F611-F613 HydrophobicContact CG-CE2 4.12Å; F611-F613 AromaticContact CG-CZ 3.97Å; F611-F613 HydrophobicContact CG-CZ 3.97Å
614Y95.7Very high88.9Confident3 Ų329.1 Ų29.11%0.01213%0.132CC..EExtended strand (participates in β ladder)trans-147.5156.1-177.667.1-80.2000111.2T573 K598 L617 K619 F640 D649T573-Y614 CarbonylContact O-C 3.42Å; T573-Y614 WeakPolarHBondContact O-CA 3.27Å; K598-Y614 HydrophobicContact CB-CD1 4.26Å; K598-Y614 HydrophobicContact CB-CD2 4.41Å; K598-Y614 HydrophobicContact CB-CE1 3.81Å; K598-Y614 HydrophobicContact CB-CE2 3.99Å; K598-Y614 HydrophobicContact CD-CE2 3.98Å; K598-Y614 PolarHBondContact N-O 2.93Å; K598-Y614 WeakPolarHBondContact O-CD1 3.17Å; K598-Y614 PolarHBondContact O-N 2.9Å; Y614-L617 HydrophobicContact CD2-CB 4.21Å; Y614-L617 WeakPolarHBondContact CD2-O 3.32Å; Y614-L617 WeakPolarHBondContact CE2-O 2.99Å; Y614-K619 HydrophobicContact CE1-CB 4.42Å; Y614-K619 HydrophobicContact CE1-CD 4.12Å; Y614-K619 VanDerWaalsContact OH-CD 3.26Å; Y614-K619 WeakPolarHBondContact OH-CD 2.84Å; Y614-K619 VanDerWaalsContact OH-CE 3.31Å; Y614-K619 WeakPolarHBondContact OH-CE 3.4Å; Y614-F640 AromaticContact CD1-CE1 3.89Å; Y614-F640 HydrophobicContact CD1-CE1 3.89Å; Y614-F640 HydrophobicContact CD2-CE1 4.27Å; Y614-F640 HydrophobicContact CG-CD1 4.39Å; Y614-F640 AromaticContact CG-CE1 3.69Å; Y614-F640 HydrophobicContact CG-CE1 3.69Å; Y614-D649 WeakPolarHBondContact CE2-OD2 3.48Å; Y614-D649 PolarHBondContact OH-OD2 2.79Å
615Q94.5Very high88.8Confident39 Ų3928.6 Ų28.618%0.18213%0.129CC..EExtended strand (participates in β ladder)trans-150.4148.1171.2-174.258.622.100109T567 T573 S596 V597 L617T567-Q615 HydrophobicContact CG2-CB 3.71Å; T567-Q615 HydrophobicContact CG2-CG 3.78Å; T573-Q615 PolarHBondContact N-O 3.05Å; T573-Q615 PolarHBondContact O-N 3.27Å; S596-Q615 WeakPolarHBondContact O-CG 3.46Å; S596-Q615 PolarHBondContact O-OE1 3.06Å; V597-Q615 HydrophobicContact CG1-CB 4.46Å; Q615-L617 PolarHBondContact O-N 2.91Å
616N92Very high88.4Confident39 Ų3926.4 Ų26.421%0.20912%0.117CC..SBendtrans56.633.6-176.7-49.6-36.6000113T567 G570 E571 A643T567-N616 PolarHBondContact O-ND2 3.39Å; G570-N616 VanDerWaalsContact CA-ND2 3.33Å; G570-N616 WeakPolarHBondContact CA-ND2 3.44Å; G570-N616 PolarHBondContact O-ND2 2.98Å; E571-N616 PolarHBondContact N-ND2 2.71Å; E571-N616 PolarHBondContact O-ND2 2.87Å; N616-A643 VanDerWaalsContact C-CB 3.44Å; N616-A643 VanDerWaalsContact O-CB 3.26Å; N616-A643 WeakPolarHBondContact O-CB 3.33Å
617L92.9Very high87.9Confident3 Ų319.3 Ų19.32%0.0169%0.085CC..EExtended strand (participates in β ladder)trans-142.3156.2175.3-67.9171.2000108.8F428 P572 L574 Y614 Q615 F640 F642F428-L617 HydrophobicContact CE1-CD1 4.45Å; F428-L617 HydrophobicContact CE1-CD2 4Å; F428-L617 HydrophobicContact CZ-CD1 3.96Å; F428-L617 HydrophobicContact CZ-CD2 4.33Å; P572-L617 HydrophobicContact CB-CD2 3.97Å; P572-L617 HydrophobicContact CB-CG 4.25Å; L574-L617 HydrophobicContact CD1-CD1 4.16Å; L574-L617 HydrophobicContact CD2-CD1 3.62Å; L574-L617 HydrophobicContact CG-CD1 3.64Å; Y614-L617 HydrophobicContact CD2-CB 4.21Å; Y614-L617 WeakPolarHBondContact CD2-O 3.32Å; Y614-L617 WeakPolarHBondContact CE2-O 2.99Å; Q615-L617 PolarHBondContact O-N 2.91Å; L617-F640 HydrophobicContact CB-CD1 4.18Å; L617-F640 HydrophobicContact CD1-CB 4.43Å; L617-F640 HydrophobicContact CD1-CD1 4.35Å; L617-F640 HydrophobicContact CD1-CG 4.32Å; L617-F642 HydrophobicContact CD2-CD1 3.98Å
618Y91.2Very high87.4Confident13 Ų1319.9 Ų19.95%0.0519%0.091CC..EExtended strand (participates in β ladder)trans-103.1137.1167.3-56-55.6000110.8F640 E641 A643 S644 K647 D649Y618-F640 CarbonylContact O-C 3.47Å; Y618-F640 VanDerWaalsContact O-CA 3.24Å; Y618-F640 WeakPolarHBondContact O-CA 3.09Å; Y618-E641 PolarHBondContact N-O 3.08Å; Y618-E641 PolarHBondContact O-N 3.08Å; Y618-A643 VanDerWaalsContact CE2-CA 3.43Å; Y618-A643 HydrophobicContact CE2-CB 4.14Å; Y618-S644 PolarHBondContact OH-N 3.12Å; Y618-S644 PolarHBondContact OH-O 3.15Å; Y618-K647 HydrophobicContact CD2-CD 3.94Å; Y618-K647 HydrophobicContact CD2-CG 4.33Å; Y618-K647 HydrophobicContact CE1-CB 4.46Å; Y618-K647 HydrophobicContact CE1-CG 4.24Å; Y618-K647 WeakPolarHBondContact CE1-O 3.26Å; Y618-K647 HydrophobicContact CE2-CB 3.84Å; Y618-K647 HydrophobicContact CE2-CD 3.56Å; Y618-K647 HydrophobicContact CE2-CG 3.7Å; Y618-K647 VanDerWaalsContact OH-CB 3.3Å; Y618-K647 WeakPolarHBondContact OH-CB 3.29Å; Y618-K647 PolarHBondContact OH-O 3.08Å; Y618-D649 HydrophobicContact CD1-CB 4.17Å
619K92.4Very high87Confident26 Ų2617.8 Ų17.811%0.1138%0.083CC..EExtended strand (participates in β ladder)trans-80.4142.5171.659.5179.8172.7-164.80110.9D599 I600 Y614 F640 D649 N650 F694D599-K619 PolarHBondContact O-NZ 2.81Å; I600-K619 HydrophobicContact CD1-CB 3.51Å; I600-K619 HydrophobicContact CD1-CD 4.02Å; I600-K619 HydrophobicContact CD1-CG 4.45Å; I600-K619 WeakPolarHBondContact O-CD 2.82Å; I600-K619 PolarHBondContact O-NZ 3.11Å; Y614-K619 HydrophobicContact CE1-CB 4.42Å; Y614-K619 HydrophobicContact CE1-CD 4.12Å; Y614-K619 VanDerWaalsContact OH-CD 3.26Å; Y614-K619 WeakPolarHBondContact OH-CD 2.84Å; Y614-K619 VanDerWaalsContact OH-CE 3.31Å; Y614-K619 WeakPolarHBondContact OH-CE 3.4Å; K619-F640 HydrophobicContact CB-CE1 4.48Å; K619-D649 PolarHBondContact N-OD1 2.99Å; K619-N650 WeakPolarHBondContact CE-O 3.48Å; K619-N650 WeakPolarHBondContact O-CB 3.17Å; K619-N650 PolarHBondContact O-ND2 2.89Å; K619-F694 HydrophobicContact CB-CD2 4.06Å; K619-F694 HydrophobicContact CB-CG 4.47Å; K619-F694 HydrophobicContact CD-CB 4.45Å; K619-F694 HydrophobicContact CD-CD1 3.89Å; K619-F694 HydrophobicContact CD-CD2 3.79Å; K619-F694 HydrophobicContact CD-CE1 4Å; K619-F694 HydrophobicContact CD-CE2 3.91Å; K619-F694 HydrophobicContact CD-CG 3.78Å; K619-F694 HydrophobicContact CD-CZ 4.02Å; K619-F694 HydrophobicContact CG-CB 3.97Å; K619-F694 HydrophobicContact CG-CD1 4.33Å; K619-F694 HydrophobicContact CG-CD2 3.85Å; K619-F694 HydrophobicContact CG-CE2 4.43Å; K619-F694 HydrophobicContact CG-CG 3.79Å
620L90.8Very high86.8Confident5 Ų512 Ų123%0.0266%0.061CC..EExtended strand (participates in β ladder)trans-123.4-39179.8-68.2176.5000112.6T427 R639 E641 N650 L664 Y693 F694T427-L620 HydrophobicContact CG2-CD1 3.34Å; L620-R639 HydrophobicContact CB-CB 4.25Å; L620-R639 HydrophobicContact CB-CG 4.16Å; L620-R639 HydrophobicContact CD1-CG 4.13Å; L620-R639 PolarHBondContact N-O 3.4Å; L620-E641 HydrophobicContact CD1-CB 3.79Å; L620-E641 HydrophobicContact CD2-CB 4.46Å; L620-E641 HydrophobicContact CG-CB 4.12Å; L620-N650 WeakPolarHBondContact CD2-ND2 3.38Å; L620-L664 HydrophobicContact CB-CD2 4.25Å; L620-L664 HydrophobicContact CD1-CD2 3.74Å; L620-L664 HydrophobicContact CD2-CD2 3.99Å; L620-L664 HydrophobicContact CG-CD2 4.23Å; L620-Y693 CarbonylContact O-C 3.54Å; L620-Y693 WeakPolarHBondContact O-CA 3.48Å; L620-F694 PolarHBondContact O-N 2.92Å
621A90.6Very high85.9Confident0 Ų014.9 Ų14.90%07%0.074CC..EExtended strand (participates in β ladder)trans-152.2151.5178.500000111A638 R639 F666 K692 Y693A621-A638 CarbonylContact O-C 3.58Å; A621-A638 VanDerWaalsContact O-CA 3.32Å; A621-A638 WeakPolarHBondContact O-CA 3.41Å; A621-R639 HydrophobicContact CB-CB 4Å; A621-R639 PolarHBondContact N-O 3.3Å; A621-R639 PolarHBondContact O-N 3.31Å; A621-F666 HydrophobicContact CB-CE1 4.3Å; A621-F666 HydrophobicContact CB-CE2 3.74Å; A621-F666 HydrophobicContact CB-CZ 3.54Å; A621-K692 CarbonylContact C-O 3.51Å; A621-K692 VanDerWaalsContact CA-O 3.31Å; A621-K692 WeakPolarHBondContact CA-O 3.34Å; A621-Y693 HydrophobicContact CB-CD1 3.67Å; A621-Y693 HydrophobicContact CB-CE1 3.91Å
622Y91.8Very high84.6Confident0 Ų015.3 Ų15.30%08%0.076CC..EExtended strand (participates in β ladder)trans-143.7139.3172.7174.9-109.4000109.6I600 D601 R607 I612 R624 Q636 V637 A638 T691 K692I600-Y622 HydrophobicContact CB-CD2 4.39Å; I600-Y622 HydrophobicContact CG1-CD2 3.62Å; I600-Y622 HydrophobicContact CG1-CE2 4.42Å; I600-Y622 HydrophobicContact CG1-CG 3.82Å; I600-Y622 HydrophobicContact CG2-CD2 3.79Å; I600-Y622 HydrophobicContact CG2-CE2 3.75Å; I600-Y622 HydrophobicContact CG2-CG 4.3Å; D601-Y622 HydrophobicContact CB-CD1 3.82Å; D601-Y622 HydrophobicContact CB-CE1 3.86Å; R607-Y622 WeakPolarHBondContact CD-OH 3.5Å; I612-Y622 HydrophobicContact CD1-CE2 4.38Å; Y622-R624 HydrophobicContact CE1-CG 4.34Å; Y622-R624 PolarHBondContact OH-NE 3.26Å; Y622-Q636 HydrophobicContact CE2-CB 4.17Å; Y622-Q636 HydrophobicContact CE2-CG 4.47Å; Y622-Q636 PolarHBondContact OH-OE1 2.85Å; Y622-V637 WeakPolarHBondContact CA-O 3.36Å; Y622-V637 WeakPolarHBondContact CD2-O 3.38Å; Y622-A638 HydrophobicContact CD2-CB 4.35Å; Y622-T691 WeakPolarHBondContact O-CA 3.35Å; Y622-K692 PolarHBondContact N-O 2.57Å; Y622-K692 PolarHBondContact O-N 3.46Å
623S88.6Confident82.9Confident0 Ų021.7 Ų21.70%011%0.111CC..EExtended strand (participates in β ladder)trans-147.7147.1169.7-160.10000110.7V637 M688 A689 T691S623-V637 PolarHBondContact N-O 3.13Å; S623-V637 WeakPolarHBondContact O-CG2 3.2Å; S623-V637 PolarHBondContact O-N 2.91Å; S623-M688 WeakPolarHBondContact OG-CB 3.29Å; S623-A689 PolarHBondContact OG-O 3.29Å; S623-T691 PolarHBondContact OG-OG1 3.19Å
624R85.7Confident81.5Confident34 Ų3423.8 Ų23.813%0.12812%0.122CC..EExtended strand (participates in β ladder)trans-88.3151.8158.8-69166.6154.5-150.4-47.5108D604 R607 Y622 D634 I635 Q636 A689D604-R624 IonicContact OD1-NH1 3.34Å; D604-R624 IonicContact OD2-CZ 3.36Å; D604-R624 VanDerWaalsContact OD2-CZ 3.32Å; D604-R624 IonicContact OD2-NE 2.78Å; D604-R624 PolarHBondContact OD2-NE 3.07Å; D604-R624 IonicContact OD2-NH1 2.87Å; D604-R624 PolarHBondContact OD2-NH1 2.87Å; R607-R624 VanDerWaalsContact CG-CZ 3.47Å; Y622-R624 HydrophobicContact CE1-CG 4.34Å; Y622-R624 PolarHBondContact OH-NE 3.26Å; R624-D634 IonicContact CZ-OD1 2.58Å; R624-D634 IonicContact NH2-OD1 3.76Å; R624-D634 PolarHBondContact NH2-OD1 3.1Å; R624-I635 CarbonylContact C-O 3.4Å; R624-I635 WeakPolarHBondContact CA-O 3.49Å; R624-Q636 HydrophobicContact CG-CG 4.29Å; R624-A689 HydrophobicContact CB-CB 4.31Å; R624-A689 PolarHBondContact N-O 2.95Å; R624-A689 PolarHBondContact O-N 2.85Å
625I81.8Confident81.1Confident3 Ų323.6 Ų23.62%0.01512%0.121CC..EExtended strand (participates in β ladder)trans-125.6134.1-179.1-55.9174.9000107.8L453 L457 S627 I635 V637 M670 Y686 H687L453-I625 HydrophobicContact CD1-CG2 4.19Å; L457-I625 HydrophobicContact CD1-CD1 3.48Å; L457-I625 VanDerWaalsContact CD1-CD1 3.48Å; L457-I625 HydrophobicContact CD2-CD1 3.62Å; L457-I625 HydrophobicContact CG-CD1 4.07Å; I625-S627 PolarHBondContact O-N 2.95Å; I625-I635 HydrophobicContact CB-CB 4.06Å; I625-I635 HydrophobicContact CB-CG2 4.06Å; I625-I635 HydrophobicContact CD1-CG2 4.07Å; I625-I635 HydrophobicContact CG1-CG2 4.43Å; I625-I635 PolarHBondContact N-O 2.68Å; I625-V637 HydrophobicContact CD1-CB 4.47Å; I625-V637 HydrophobicContact CD1-CG1 3.68Å; I625-V637 HydrophobicContact CD1-CG2 3.95Å; I625-V637 HydrophobicContact CG1-CG2 4.31Å; I625-M670 HydrophobicContact CD1-CE 3.97Å; I625-M670 HydrophobicContact CG1-CE 4.39Å; I625-M670 HydrophobicContact CG2-CE 3.68Å; I625-Y686 HydrophobicContact CG2-CD1 4.43Å; I625-H687 WeakPolarHBondContact CA-O 3.34Å
626S75.8Confident80.9Confident24 Ų2421.8 Ų21.817%0.16811%0.112CC..  trans-58.4133.9173.664.20000109.8G628 Y686 H687S626-G628 PolarHBondContact O-N 3.4Å; S626-G628 VanDerWaalsContact O-N 3.14Å; S626-Y686 WeakPolarHBondContact O-CD1 3.24Å; S626-H687 PolarHBondContact N-O 3.2Å; S626-H687 PolarHBondContact OG-N 3.39Å; S626-H687 PolarHBondContact OG-O 2.88Å
627S70Confident80.9Confident10 Ų1019.9 Ų19.97%0.0710%0.102CC..  trans-59.3-28.1-177.466.20000113.7I625 R629 L630 S632I625-S627 PolarHBondContact O-N 2.95Å; S627-R629 PolarHBondContact O-N 3.26Å; S627-R629 VanDerWaalsContact O-N 3.12Å; S627-L630 WeakPolarHBondContact CB-O 3.28Å; S627-L630 VanDerWaalsContact O-CB 3.28Å; S627-L630 WeakPolarHBondContact O-CB 3.23Å; S627-L630 PolarHBondContact O-N 2.69Å; S627-S632 WeakPolarHBondContact CB-O 3.17Å
628G72Confident80.9Confident12 Ų1219.8 Ų19.812%0.12410%0.102CC..THydrogen-bonded Turntrans60.8-114.2-174.400000109.4K441 S626K441-G628 VanDerWaalsContact CE-O 3.23Å; K441-G628 WeakPolarHBondContact CE-O 3.35Å; K441-G628 PolarHBondContact NZ-O 3.48Å; S626-G628 PolarHBondContact O-N 3.4Å; S626-G628 VanDerWaalsContact O-N 3.14Å
629R70.6Confident81Confident28 Ų2820.8 Ų20.811%0.10611%0.105CC..THydrogen-bonded Turntrans-86-22173.1-66.7-174.762.9126.22.5113.6D440 K441 D449 S627D440-R629 HydrophobicContact CB-CB 4.48Å; D440-R629 WeakPolarHBondContact CB-O 3.27Å; D440-R629 IonicContact OD2-CZ 2.84Å; D440-R629 IonicContact OD2-NE 3.78Å; D440-R629 PolarHBondContact OD2-NE 2.75Å; D440-R629 IonicContact OD2-NH2 3.51Å; D440-R629 PolarHBondContact OD2-NH2 3.43Å; K441-R629 WeakPolarHBondContact CG-O 3.46Å; K441-R629 PolarHBondContact N-O 2.77Å; D449-R629 WeakPolarHBondContact OD2-CD 3.27Å; D449-R629 IonicContact OD2-NE 2.99Å; D449-R629 PolarHBondContact OD2-NE 3.3Å; S627-R629 PolarHBondContact O-N 3.26Å; S627-R629 VanDerWaalsContact O-N 3.12Å
630L77.3Confident81.1Confident4 Ų419.5 Ų19.52%0.02110%0.1CC..BIsolated β-bridgetrans-63.9151.7-175.1-57.5176.2000110.3N446 D449 A450 L453 S627 S632 I635 Y686N446-L630 HydrophobicContact CB-CD2 3.8Å; D449-L630 HydrophobicContact CB-CD2 3.96Å; A450-L630 HydrophobicContact CB-CD2 4.21Å; L453-L630 HydrophobicContact CD2-CD1 3.83Å; S627-L630 WeakPolarHBondContact CB-O 3.28Å; S627-L630 VanDerWaalsContact O-CB 3.28Å; S627-L630 WeakPolarHBondContact O-CB 3.23Å; S627-L630 PolarHBondContact O-N 2.69Å; L630-S632 VanDerWaalsContact C-N 3.33Å; L630-S632 PolarHBondContact O-N 3.45Å; L630-I635 HydrophobicContact CB-CD1 4.47Å; L630-I635 HydrophobicContact CD1-CD1 3.59Å; L630-Y686 HydrophobicContact CD1-CE1 4.08Å; L630-Y686 HydrophobicContact CG-CE1 4.41Å
631K68.4Low81.1Confident70 Ų7021.4 Ų21.430%0.30411%0.109SC..SBendtrans-72.7-24.5-175.6-168.3179.1179.3-176.90112.9C30C30-K631 PolarHBondContact O-NZ 3.4Å
632S64.4Low81Confident8 Ų822.5 Ų22.56%0.05611%0.113CC..  trans-82.8118.8-176.3180000112.6T434 S627 L630 D634T434-S632 PolarHBondContact O-OG 2.77Å; T434-S632 WeakPolarHBondContact OG1-CB 3.32Å; T434-S632 PolarHBondContact OG1-OG 3.21Å; S627-S632 WeakPolarHBondContact CB-O 3.17Å; L630-S632 VanDerWaalsContact C-N 3.33Å; L630-S632 PolarHBondContact O-N 3.45Å; S632-D634 PolarHBondContact O-N 2.62Å
633D59.3Low80.6Confident135 Ų13524.6 Ų24.672%0.72213%0.131SC*.SBendtrans-71.1-6170.5-64.4-30.1000113.9
634D67Low80.1Confident43 Ų4327.7 Ų27.723%0.2315%0.152CC..  trans-130.955.5-171.5-78.2-56.7000113.2M610 R624 S632 Q636M610-D634 HydrophobicContact CB-CB 4.37Å; M610-D634 WeakPolarHBondContact CE-O 3.4Å; M610-D634 HydrophobicContact CG-CB 4.45Å; M610-D634 HydrophobicContact SD-CB 3.66Å; M610-D634 VanDerWaalsContact SD-O 3.41Å; R624-D634 IonicContact CZ-OD1 2.58Å; R624-D634 IonicContact NH2-OD1 3.76Å; R624-D634 PolarHBondContact NH2-OD1 3.1Å; S632-D634 PolarHBondContact O-N 2.62Å; D634-Q636 PolarHBondContact O-N 3.48Å
635I85.7Confident79.4Confident0 Ų032.4 Ų32.40%019%0.188CC..EExtended strand (participates in β ladder)trans-70.1125.4165.9-57.4175.3000108.3M433 L453 R624 I625 L630M433-I635 HydrophobicContact CB-CG1 4.17Å; M433-I635 HydrophobicContact CB-CG2 4.25Å; L453-I635 HydrophobicContact CD2-CD1 3.51Å; L453-I635 HydrophobicContact CD2-CG2 4.27Å; R624-I635 CarbonylContact C-O 3.4Å; R624-I635 WeakPolarHBondContact CA-O 3.49Å; I625-I635 HydrophobicContact CB-CB 4.06Å; I625-I635 HydrophobicContact CB-CG2 4.06Å; I625-I635 HydrophobicContact CD1-CG2 4.07Å; I625-I635 HydrophobicContact CG1-CG2 4.43Å; I625-I635 PolarHBondContact N-O 2.68Å; L630-I635 HydrophobicContact CB-CD1 4.47Å; L630-I635 HydrophobicContact CD1-CD1 3.59Å
636Q90.6Very high78.8Confident0 Ų040 Ų400%023%0.228CC..EExtended strand (participates in β ladder)trans-123.9138.2-177.6-60.1-172.732.100110.9L432 M610 I612 Y622 R624 D634L432-Q636 PolarHBondContact N-O 2.9Å; L432-Q636 PolarHBondContact O-N 2.74Å; M610-Q636 VanDerWaalsContact CB-NE2 3.35Å; M610-Q636 PolarHBondContact O-NE2 3.39Å; I612-Q636 HydrophobicContact CD1-CB 3.92Å; Y622-Q636 HydrophobicContact CE2-CB 4.17Å; Y622-Q636 HydrophobicContact CE2-CG 4.47Å; Y622-Q636 PolarHBondContact OH-OE1 2.85Å; R624-Q636 HydrophobicContact CG-CG 4.29Å; D634-Q636 PolarHBondContact O-N 3.48Å
637V92.3Very high78.8Confident0 Ų042.5 Ų42.50%024%0.236CC..EExtended strand (participates in β ladder)trans-125.7139.7173.6-68.30000110.6L429 L430 A431 L457 Y622 S623 I625 F666L429-V637 HydrophobicContact CD1-CB 4.2Å; L430-V637 CarbonylContact O-C 3.3Å; L430-V637 VanDerWaalsContact O-CA 3.26Å; L430-V637 WeakPolarHBondContact O-CA 3.33Å; A431-V637 HydrophobicContact CB-CG1 4.02Å; L457-V637 HydrophobicContact CD1-CG1 3.9Å; L457-V637 HydrophobicContact CD2-CG1 4.26Å; Y622-V637 WeakPolarHBondContact CA-O 3.36Å; Y622-V637 WeakPolarHBondContact CD2-O 3.38Å; S623-V637 PolarHBondContact N-O 3.13Å; S623-V637 WeakPolarHBondContact O-CG2 3.2Å; S623-V637 PolarHBondContact O-N 2.91Å; I625-V637 HydrophobicContact CD1-CB 4.47Å; I625-V637 HydrophobicContact CD1-CG1 3.68Å; I625-V637 HydrophobicContact CD1-CG2 3.95Å; I625-V637 HydrophobicContact CG1-CG2 4.31Å; V637-F666 HydrophobicContact CB-CE1 4.44Å; V637-F666 HydrophobicContact CG2-CE1 3.86Å; V637-F666 HydrophobicContact CG2-CZ 3.87Å
638A93.3Very high79.3Confident0 Ų050.2 Ų50.20%027%0.271CS..EExtended strand (participates in β ladder)trans-139.4131.4178.300000110.6L430 I600 I612 A621 Y622 F640L430-A638 PolarHBondContact N-O 3.15Å; L430-A638 PolarHBondContact O-N 2.66Å; I600-A638 HydrophobicContact CD1-CB 4.12Å; I600-A638 HydrophobicContact CG1-CB 4.14Å; I612-A638 HydrophobicContact CD1-CB 3.96Å; I612-A638 HydrophobicContact CG2-CB 4.32Å; A621-A638 CarbonylContact O-C 3.58Å; A621-A638 VanDerWaalsContact O-CA 3.32Å; A621-A638 WeakPolarHBondContact O-CA 3.41Å; Y622-A638 HydrophobicContact CD2-CB 4.35Å; A638-F640 HydrophobicContact CB-CD2 4.39Å; A638-F640 HydrophobicContact CB-CE2 3.51Å; A638-F640 HydrophobicContact CB-CZ 3.73Å
639R93Very high79.8Confident34 Ų3450.8 Ų50.813%0.12827%0.271CS..EExtended strand (participates in β ladder)trans-102.1132.5174.7-173.1171.6-72165.45.9109.7F428 L429 L620 A621 H663 L664 R665F428-R639 WeakPolarHBondContact O-CA 3.4Å; L429-R639 HydrophobicContact CD1-CB 4.3Å; L620-R639 HydrophobicContact CB-CB 4.25Å; L620-R639 HydrophobicContact CB-CG 4.16Å; L620-R639 HydrophobicContact CD1-CG 4.13Å; L620-R639 PolarHBondContact N-O 3.4Å; A621-R639 HydrophobicContact CB-CB 4Å; A621-R639 PolarHBondContact N-O 3.3Å; A621-R639 PolarHBondContact O-N 3.31Å; R639-H663 PolarHBondContact NH1-O 3.15Å; R639-L664 VanDerWaalsContact NH1-C 3.26Å; R639-L664 PolarHBondContact NH1-O 2.9Å; R639-L664 VanDerWaalsContact NH1-O 3.16Å; R639-R665 PolarHBondContact NH1-O 3.27Å; R639-R665 PolarHBondContact NH2-O 3.29Å
640F93.8Very high80.5Confident0 Ų049.6 Ų49.60%027%0.267CS..EExtended strand (participates in β ladder)trans-123.2155.8-179-62.7-79.9000111.7T427 F428 L430 L574 I600 I612 Y614 L617 Y618 K619 A638T427-F640 CarbonylContact C-O 3.51Å; T427-F640 WeakPolarHBondContact CA-O 3.33Å; T427-F640 WeakPolarHBondContact CB-O 3.36Å; F428-F640 HydrophobicContact CD1-CB 4.29Å; F428-F640 HydrophobicContact CE1-CB 3.71Å; F428-F640 HydrophobicContact CE2-CB 4.2Å; F428-F640 AromaticContact CE2-CD2 3.91Å; F428-F640 HydrophobicContact CE2-CD2 3.91Å; F428-F640 HydrophobicContact CE2-CG 4.45Å; F428-F640 HydrophobicContact CZ-CB 3.66Å; F428-F640 HydrophobicContact CZ-CD2 4.02Å; F428-F640 HydrophobicContact CZ-CG 4.13Å; F428-F640 PolarHBondContact N-O 3.34Å; F428-F640 PolarHBondContact O-N 3.22Å; L430-F640 HydrophobicContact CB-CE2 4.26Å; L430-F640 HydrophobicContact CD2-CE2 4.31Å; L574-F640 HydrophobicContact CD1-CD2 4.38Å; L574-F640 HydrophobicContact CD1-CE2 4.36Å; L574-F640 HydrophobicContact CD2-CD1 4.38Å; L574-F640 HydrophobicContact CD2-CD2 4.04Å; L574-F640 HydrophobicContact CD2-CE1 3.96Å; L574-F640 HydrophobicContact CD2-CE2 3.57Å; L574-F640 HydrophobicContact CD2-CG 4.42Å; L574-F640 HydrophobicContact CD2-CZ 3.52Å; I600-F640 HydrophobicContact CD1-CE1 3.93Å; I600-F640 HydrophobicContact CD1-CZ 4.03Å; I612-F640 HydrophobicContact CG2-CE2 4.33Å; I612-F640 HydrophobicContact CG2-CZ 3.87Å; Y614-F640 AromaticContact CD1-CE1 3.89Å; Y614-F640 HydrophobicContact CD1-CE1 3.89Å; Y614-F640 HydrophobicContact CD2-CE1 4.27Å; Y614-F640 HydrophobicContact CG-CD1 4.39Å; Y614-F640 AromaticContact CG-CE1 3.69Å; Y614-F640 HydrophobicContact CG-CE1 3.69Å; L617-F640 HydrophobicContact CB-CD1 4.18Å; L617-F640 HydrophobicContact CD1-CB 4.43Å; L617-F640 HydrophobicContact CD1-CD1 4.35Å; L617-F640 HydrophobicContact CD1-CG 4.32Å; Y618-F640 CarbonylContact O-C 3.47Å; Y618-F640 VanDerWaalsContact O-CA 3.24Å; Y618-F640 WeakPolarHBondContact O-CA 3.09Å; K619-F640 HydrophobicContact CB-CE1 4.48Å; A638-F640 HydrophobicContact CB-CD2 4.39Å; A638-F640 HydrophobicContact CB-CE2 3.51Å; A638-F640 HydrophobicContact CB-CZ 3.73Å
641E91.2Very high80.7Confident45 Ų4552.5 Ų52.521%0.2129%0.285CS..EExtended strand (participates in β ladder)trans-120.8146.3169.1-169.2-171.9161.200108.3T427 Y618 L620 K647T427-E641 HydrophobicContact CG2-CB 4.37Å; T427-E641 HydrophobicContact CG2-CG 4.41Å; Y618-E641 PolarHBondContact N-O 3.08Å; Y618-E641 PolarHBondContact O-N 3.08Å; L620-E641 HydrophobicContact CD1-CB 3.79Å; L620-E641 HydrophobicContact CD2-CB 4.46Å; L620-E641 HydrophobicContact CG-CB 4.12Å; E641-K647 IonicContact OE1-NZ 2.73Å; E641-K647 PolarHBondContact OE1-NZ 2.94Å; E641-K647 IonicContact OE2-NZ 3.47Å; E641-K647 PolarHBondContact OE2-NZ 3.4Å
642F89.5Confident81.5Confident22 Ų2252.7 Ų52.710%0.09629%0.289CS..EExtended strand (participates in β ladder)trans-65.1137.6175.6-61.8-68.3000111.6G426 F428 I531 Q532 I534 V536 L617G426-F642 VanDerWaalsContact O-CD2 3.24Å; G426-F642 WeakPolarHBondContact O-CD2 3.33Å; G426-F642 PolarHBondContact O-N 2.73Å; F428-F642 HydrophobicContact CD1-CE1 4.28Å; F428-F642 HydrophobicContact CD1-CZ 4.09Å; F428-F642 HydrophobicContact CE1-CE1 4.05Å; F428-F642 HydrophobicContact CE1-CZ 4.34Å; I531-F642 HydrophobicContact CB-CZ 3.96Å; I531-F642 HydrophobicContact CG2-CE2 4.44Å; I531-F642 HydrophobicContact CG2-CZ 3.73Å; I531-F642 WeakPolarHBondContact O-CZ 3.33Å; Q532-F642 HydrophobicContact CB-CE2 4.28Å; I534-F642 HydrophobicContact CB-CD1 4.15Å; I534-F642 HydrophobicContact CB-CE1 3.74Å; I534-F642 HydrophobicContact CB-CZ 3.98Å; I534-F642 HydrophobicContact CD1-CB 3.97Å; I534-F642 HydrophobicContact CD1-CD1 3.7Å; I534-F642 HydrophobicContact CD1-CD2 3.66Å; I534-F642 HydrophobicContact CD1-CE1 4.04Å; I534-F642 HydrophobicContact CD1-CE2 4Å; I534-F642 HydrophobicContact CD1-CG 3.49Å; I534-F642 VanDerWaalsContact CD1-CG 3.49Å; I534-F642 HydrophobicContact CD1-CZ 4.17Å; I534-F642 HydrophobicContact CG1-CE1 4.48Å; I534-F642 HydrophobicContact CG2-CD1 3.86Å; I534-F642 HydrophobicContact CG2-CE1 3.7Å; I534-F642 HydrophobicContact CG2-CZ 4.45Å; V536-F642 HydrophobicContact CG2-CE1 3.67Å; V536-F642 HydrophobicContact CG2-CZ 4.44Å; L617-F642 HydrophobicContact CD2-CD1 3.98Å
643A83.1Confident82.5Confident45 Ų4555.8 Ų55.837%0.37231%0.307SS..  trans-68.8144.3179.600000111.8N616 Y618N616-A643 VanDerWaalsContact C-CB 3.44Å; N616-A643 VanDerWaalsContact O-CB 3.26Å; N616-A643 WeakPolarHBondContact O-CB 3.33Å; Y618-A643 VanDerWaalsContact CE2-CA 3.43Å; Y618-A643 HydrophobicContact CE2-CB 4.14Å
644S78Confident83.7Confident64 Ų6450.3 Ų50.345%0.44828%0.279SS..  trans-119.3141.8170.6-64.40000108.2Y618 D646 K647Y618-S644 PolarHBondContact OH-N 3.12Å; Y618-S644 PolarHBondContact OH-O 3.15Å; S644-D646 PolarHBondContact O-N 3.01Å; S644-K647 PolarHBondContact O-N 3.44Å
645P70.9Confident84.4Confident134 Ų13456.8 Ų56.887%0.8730%0.3SS*.THydrogen-bonded Turntrans-50.9-31.5-170.8-2834.2000115.3
646D69.8Low84.1Confident163 Ų16363.3 Ų63.387%0.87233%0.328SS*.THydrogen-bonded Turntrans-99.91.4-169.7-52.6-48.4000115.2S644S644-D646 PolarHBondContact O-N 3.01Å
647K75.5Confident83.6Confident75 Ų7566.1 Ų66.133%0.32635%0.345SS..  trans-105.8128.4-174.2177.6175.3174.2-171.10111.3Y618 E641 S644Y618-K647 HydrophobicContact CD2-CD 3.94Å; Y618-K647 HydrophobicContact CD2-CG 4.33Å; Y618-K647 HydrophobicContact CE1-CB 4.46Å; Y618-K647 HydrophobicContact CE1-CG 4.24Å; Y618-K647 WeakPolarHBondContact CE1-O 3.26Å; Y618-K647 HydrophobicContact CE2-CB 3.84Å; Y618-K647 HydrophobicContact CE2-CD 3.56Å; Y618-K647 HydrophobicContact CE2-CG 3.7Å; Y618-K647 VanDerWaalsContact OH-CB 3.3Å; Y618-K647 WeakPolarHBondContact OH-CB 3.29Å; Y618-K647 PolarHBondContact OH-O 3.08Å; E641-K647 IonicContact OE1-NZ 2.73Å; E641-K647 PolarHBondContact OE1-NZ 2.94Å; E641-K647 IonicContact OE2-NZ 3.47Å; E641-K647 PolarHBondContact OE2-NZ 3.4Å; S644-K647 PolarHBondContact O-N 3.44Å
648E79.4Confident83Confident173 Ų17368.3 Ų68.381%0.80836%0.364SS*.  trans-75.3157.1168.7-71.5-17017000111
649D83.3Confident82.4Confident24 Ų2471.9 Ų71.913%0.12838%0.382CS..  trans-68.2151.7179-160.84000112.5K598 Y614 Y618 K619 T651K598-D649 IonicContact NZ-OD2 3.01Å; Y614-D649 WeakPolarHBondContact CE2-OD2 3.48Å; Y614-D649 PolarHBondContact OH-OD2 2.79Å; Y618-D649 HydrophobicContact CD1-CB 4.17Å; K619-D649 PolarHBondContact N-OD1 2.99Å; D649-T651 PolarHBondContact O-N 2.83Å
650N84.6Confident81.8Confident2 Ų270.2 Ų70.21%0.01138%0.376CS..  trans-75.5112.4-176.8-63.3-43.6000110.1K619 L620 F694 P696K619-N650 WeakPolarHBondContact CE-O 3.48Å; K619-N650 WeakPolarHBondContact O-CB 3.17Å; K619-N650 PolarHBondContact O-ND2 2.89Å; L620-N650 WeakPolarHBondContact CD2-ND2 3.38Å; N650-F694 HydrophobicContact CB-CB 3.74Å; N650-F694 WeakPolarHBondContact CB-O 3.4Å; N650-P696 VanDerWaalsContact OD1-CA 3.32Å; N650-P696 WeakPolarHBondContact OD1-CA 3.3Å; N650-P696 WeakPolarHBondContact OD1-CD 3.09Å; N650-P696 VanDerWaalsContact OD1-N 3.15Å
651T81.8Confident81.1Confident66 Ų6671 Ų7141%0.40538%0.381SS..  trans-111.7-11.4-175.353.30000113.8D649 V653 R697D649-T651 PolarHBondContact O-N 2.83Å; T651-V653 PolarHBondContact O-N 2.62Å; T651-R697 VanDerWaalsContact OG1-CD 3.3Å; T651-R697 WeakPolarHBondContact OG1-CD 3.39Å; T651-R697 WeakPolarHBondContact OG1-CG 3.04Å; T651-R697 PolarHBondContact OG1-NE 3.37Å
652L84.4Confident80.4Confident74 Ų7477 Ų7739%0.38740%0.402SS..EExtended strand (participates in β ladder)trans-80.2114.2176.5-178.167000109.4V654 F694 L695 R697L652-V654 HydrophobicContact CD2-CG2 4.42Å; L652-V654 HydrophobicContact CG-CG2 4.3Å; L652-F694 WeakPolarHBondContact O-CA 2.97Å; L652-L695 HydrophobicContact CB-CB 4.41Å; L652-L695 WeakPolarHBondContact CB-O 3.35Å; L652-L695 HydrophobicContact CD2-CB 4.34Å; L652-L695 PolarHBondContact N-O 3.47Å; L652-L695 VanDerWaalsContact N-O 3.16Å; L652-L695 PolarHBondContact O-N 2.85Å; L652-R697 HydrophobicContact CB-CG 4.27Å
653V85.5Confident79.7Confident72 Ų7280.7 Ų80.744%0.43642%0.419SS..EExtended strand (participates in β ladder)trans-88.6118.9178.5-177.10000109.8T651 R655 K692 Y693 F694T651-V653 PolarHBondContact O-N 2.62Å; V653-R655 HydrophobicContact CG1-CG 4.49Å; V653-K692 HydrophobicContact CG1-CB 4.16Å; V653-K692 HydrophobicContact CG1-CD 4.39Å; V653-K692 HydrophobicContact CG1-CG 3.99Å; V653-Y693 CarbonylContact C-O 3.6Å; V653-Y693 WeakPolarHBondContact CA-O 3.18Å; V653-F694 HydrophobicContact CG2-CD1 4.05Å; V653-F694 HydrophobicContact CG2-CE1 3.95Å
654V84.8Confident79.4Confident20 Ų2079.2 Ų79.212%0.12141%0.405CS..EExtended strand (participates in β ladder)trans-113130.9173.7-178.90000108.8L652 D659 V660 Y693 L695L652-V654 HydrophobicContact CD2-CG2 4.42Å; L652-V654 HydrophobicContact CG-CG2 4.3Å; V654-D659 HydrophobicContact CG1-CB 3.81Å; V654-V660 HydrophobicContact CB-CG2 4.22Å; V654-V660 HydrophobicContact CG1-CG2 3.69Å; V654-Y693 PolarHBondContact N-O 2.74Å; V654-Y693 PolarHBondContact O-N 2.76Å; V654-L695 HydrophobicContact CB-CD1 4.38Å; V654-L695 HydrophobicContact CG2-CD1 3.62Å; V654-L695 HydrophobicContact CG2-CG 4.06Å
655R81.9Confident79.4Confident180 Ų18078.9 Ų78.968%0.67939%0.394SS*.  trans-108.2-28179.2-62.5-175.2-175.2-1651.8112.9V653 V657V653-R655 HydrophobicContact CG1-CG 4.49Å; R655-V657 PolarHBondContact O-N 3.39Å
656K79.8Confident79.8Confident137 Ų13773.2 Ų73.260%0.59636%0.356SS*.  trans-79.5113.5-179-167.5179.6-176.8-1760109.2A658 D659K656-A658 HydrophobicContact CD-CB 4.47Å; K656-A658 HydrophobicContact CG-CB 4.2Å; K656-A658 PolarHBondContact O-N 2.83Å; K656-A658 VanDerWaalsContact O-N 3.17Å; K656-D659 PolarHBondContact O-N 3.48Å
657V79Confident79.8Confident58 Ų5868.6 Ų68.635%0.35233%0.331SS..G310 helixtrans-55.9-34.5-177.7178.80000112.2R655 D659 V660 R665 Y693R655-V657 PolarHBondContact O-N 3.39Å; V657-D659 PolarHBondContact O-N 2.76Å; V657-V660 PolarHBondContact O-N 2.92Å; V657-V660 VanDerWaalsContact O-N 3.11Å; V657-R665 HydrophobicContact CG1-CG 4.03Å; V657-R665 VanDerWaalsContact O-CZ 3.31Å; V657-R665 PolarHBondContact O-NE 2.8Å; V657-R665 VanDerWaalsContact O-NE 3.07Å; V657-R665 PolarHBondContact O-NH2 3.42Å; V657-Y693 HydrophobicContact CG2-CE2 4.14Å
658A80Confident78.8Confident47 Ų4769.4 Ų69.439%0.38835%0.352SS..G310 helixtrans-57.2-32.2176.600000112.9K656 V660 R665 I718K656-A658 HydrophobicContact CD-CB 4.47Å; K656-A658 HydrophobicContact CG-CB 4.2Å; K656-A658 PolarHBondContact O-N 2.83Å; K656-A658 VanDerWaalsContact O-N 3.17Å; A658-V660 VanDerWaalsContact C-N 3.28Å; A658-V660 PolarHBondContact O-N 3Å; A658-R665 PolarHBondContact O-NH2 3.26Å; A658-I718 WeakPolarHBondContact O-CG2 3.4Å
659D80.9Confident77.9Confident74 Ų7467.5 Ų67.540%0.39634%0.343SS..G310 helixtrans-87.23.7-176.8-59-27.9000112.9V654 K656 V657V654-D659 HydrophobicContact CG1-CB 3.81Å; K656-D659 PolarHBondContact O-N 3.48Å; V657-D659 PolarHBondContact O-N 2.76Å
660V80.5Confident76.8Confident0 Ų066.6 Ų66.60%034%0.338CS..SBendtrans-108.6133.9-174.9-179.80000109.5V654 V657 A658 L664 R665 Y693V654-V660 HydrophobicContact CB-CG2 4.22Å; V654-V660 HydrophobicContact CG1-CG2 3.69Å; V657-V660 PolarHBondContact O-N 2.92Å; V657-V660 VanDerWaalsContact O-N 3.11Å; A658-V660 VanDerWaalsContact C-N 3.28Å; A658-V660 PolarHBondContact O-N 3Å; V660-L664 HydrophobicContact CG1-CB 3.79Å; V660-R665 HydrophobicContact CB-CG 4.21Å; V660-R665 HydrophobicContact CG1-CG 4.02Å; V660-R665 PolarHBondContact O-NE 3.18Å; V660-R665 PolarHBondContact O-NH2 3.48Å; V660-Y693 HydrophobicContact CB-CD2 4.43Å; V660-Y693 HydrophobicContact CB-CG 4.3Å; V660-Y693 HydrophobicContact CG1-CD1 3.71Å; V660-Y693 HydrophobicContact CG1-CD2 4.36Å; V660-Y693 HydrophobicContact CG1-CE1 4.19Å; V660-Y693 HydrophobicContact CG1-CG 3.8Å; V660-Y693 HydrophobicContact CG2-CD1 4.33Å; V660-Y693 HydrophobicContact CG2-CD2 3.53Å; V660-Y693 HydrophobicContact CG2-CE2 4.17Å; V660-Y693 HydrophobicContact CG2-CG 3.59Å
661P78.8Confident75.3Confident15 Ų1568.4 Ų68.410%0.09736%0.357CS..  trans-54.9138.6173.4-26.434.2000112.4H663 L664 R665P661-H663 WeakPolarHBondContact CB-CE1 3.25Å; P661-H663 PolarHBondContact O-N 3.29Å; P661-H663 VanDerWaalsContact O-N 3.11Å; P661-L664 HydrophobicContact CB-CD1 4.49Å; P661-L664 HydrophobicContact CB-CG 4.48Å; P661-L664 HydrophobicContact CG-CD1 4.22Å; P661-L664 PolarHBondContact O-N 2.93Å; P661-R665 PolarHBondContact O-N 3.31Å
662R76.4Confident73.9Confident171 Ų17172 Ų7265%0.64537%0.374SS*.G310 helixtrans-53.6-37.8-174.2-66.7-173-168.6-176.68.4113.6L664 R665 T719R662-L664 PolarHBondContact O-N 3.4Å; R662-R665 WeakPolarHBondContact O-CB 3.4Å; R662-R665 PolarHBondContact O-N 3.2Å; R662-T719 PolarHBondContact NH2-O 2.68Å; R662-T719 VanDerWaalsContact NH2-O 3.13Å
663H75.2Confident72.1Confident101 Ų10175.6 Ų75.647%0.46838%0.383SS..G310 helixtrans-67.9-19.3179.468.8-88.9000114.2R639 P661R639-H663 PolarHBondContact NH1-O 3.15Å; P661-H663 WeakPolarHBondContact CB-CE1 3.25Å; P661-H663 PolarHBondContact O-N 3.29Å; P661-H663 VanDerWaalsContact O-N 3.11Å
664L76.9Confident70.1Confident13 Ų1374 Ų747%0.06838%0.376CS..G310 helixtrans-93.7-14.9175.9-63.1-178.5000112.9L620 R639 V660 P661 R662 Y693 L695L620-L664 HydrophobicContact CB-CD2 4.25Å; L620-L664 HydrophobicContact CD1-CD2 3.74Å; L620-L664 HydrophobicContact CD2-CD2 3.99Å; L620-L664 HydrophobicContact CG-CD2 4.23Å; R639-L664 VanDerWaalsContact NH1-C 3.26Å; R639-L664 PolarHBondContact NH1-O 2.9Å; R639-L664 VanDerWaalsContact NH1-O 3.16Å; V660-L664 HydrophobicContact CG1-CB 3.79Å; P661-L664 HydrophobicContact CB-CD1 4.49Å; P661-L664 HydrophobicContact CB-CG 4.48Å; P661-L664 HydrophobicContact CG-CD1 4.22Å; P661-L664 PolarHBondContact O-N 2.93Å; R662-L664 PolarHBondContact O-N 3.4Å; L664-Y693 VanDerWaalsContact O-CE1 3.29Å; L664-Y693 WeakPolarHBondContact O-CE1 3.39Å; L664-L695 HydrophobicContact CD1-CD2 3.62Å
665R78.9Confident68.1Low58 Ų5879 Ų7922%0.21941%0.405CS..SBendtrans-66.7152.5179.3-61.7178.3-170.8175.82.6110.4R639 V657 A658 V660 P661 R662R639-R665 PolarHBondContact NH1-O 3.27Å; R639-R665 PolarHBondContact NH2-O 3.29Å; V657-R665 HydrophobicContact CG1-CG 4.03Å; V657-R665 VanDerWaalsContact O-CZ 3.31Å; V657-R665 PolarHBondContact O-NE 2.8Å; V657-R665 VanDerWaalsContact O-NE 3.07Å; V657-R665 PolarHBondContact O-NH2 3.42Å; A658-R665 PolarHBondContact O-NH2 3.26Å; V660-R665 HydrophobicContact CB-CG 4.21Å; V660-R665 HydrophobicContact CG1-CG 4.02Å; V660-R665 PolarHBondContact O-NE 3.18Å; V660-R665 PolarHBondContact O-NH2 3.48Å; P661-R665 PolarHBondContact O-N 3.31Å; R662-R665 WeakPolarHBondContact O-CB 3.4Å; R662-R665 PolarHBondContact O-N 3.2Å
666F78.6Confident66.2Low15 Ų1574.8 Ų74.87%0.06640%0.4CS..PPolyproline II helixtrans-73.8158.7162.2-66.5-67000108.6L429 A621 V637 M688 T691 Y693L429-F666 HydrophobicContact CD1-CE1 3.83Å; A621-F666 HydrophobicContact CB-CE1 4.3Å; A621-F666 HydrophobicContact CB-CE2 3.74Å; A621-F666 HydrophobicContact CB-CZ 3.54Å; V637-F666 HydrophobicContact CB-CE1 4.44Å; V637-F666 HydrophobicContact CG2-CE1 3.86Å; V637-F666 HydrophobicContact CG2-CZ 3.87Å; F666-M688 HydrophobicContact CB-CE 3.3Å; F666-M688 HydrophobicContact CB-SD 3.64Å; F666-M688 HydrophobicContact CD1-CE 4.12Å; F666-M688 HydrophobicContact CD2-CE 4.06Å; F666-M688 HydrophobicContact CD2-SD 3.49Å; F666-M688 WeakPolarHBondContact CD2-SD 3.2Å; F666-M688 HydrophobicContact CE2-SD 4.31Å; F666-M688 HydrophobicContact CG-CE 3.58Å; F666-M688 HydrophobicContact CG-SD 3.67Å; F666-T691 HydrophobicContact CD2-CG2 3.76Å; F666-T691 HydrophobicContact CE2-CG2 3.76Å; F666-Y693 HydrophobicContact CD2-CE1 4.01Å; F666-Y693 AromaticContact CD2-CZ 3.97Å; F666-Y693 WeakPolarHBondContact CD2-OH 3.45Å; F666-Y693 HydrophobicContact CE2-CE1 4.21Å; F666-Y693 PolarHBondContact N-OH 3.17Å
667D69.9Low64.6Low66 Ų6672.8 Ų72.835%0.35339%0.393SS..PPolyproline II helixtrans-61.2141.8179.5-151.3-24000110.4K458 E669K458-D667 IonicContact NZ-OD2 3.75Å; K458-D667 PolarHBondContact NZ-OD2 3.17Å; D667-E669 PolarHBondContact O-N 3.08Å
668A55.3Low62.9Low92 Ų9276.7 Ų76.776%0.7641%0.411SS*.G310 helixtrans-69.7-16.5-169.200000113.1M670 G671A668-M670 PolarHBondContact O-N 3.36Å; A668-G671 PolarHBondContact O-N 3.37Å
669E60.2Low61.3Low132 Ų13278.4 Ų78.462%0.61741%0.411SS*.G310 helixtrans-65.5-19-176.4-64.6-171.2166.100114.3D667 G671D667-E669 PolarHBondContact O-N 3.08Å; E669-G671 VanDerWaalsContact C-N 3.29Å; E669-G671 PolarHBondContact O-N 2.89Å
670M59.9Low59.6Low5 Ų576.3 Ų76.33%0.02540%0.398CS..G310 helixtrans-78.9-8.7-176.4-66.9-73.8-70.500113.9L453 M456 L457 I625 A668 M688L453-M670 HydrophobicContact CD1-CE 3.62Å; L453-M670 HydrophobicContact CD1-SD 4.17Å; M456-M670 HydrophobicContact CB-CG 4.5Å; M456-M670 HydrophobicContact CB-SD 3.76Å; M456-M670 HydrophobicContact CE-SD 4.29Å; M456-M670 HydrophobicContact SD-SD 4.35Å; L457-M670 HydrophobicContact CD2-CE 3.81Å; L457-M670 HydrophobicContact CD2-CG 4.29Å; L457-M670 HydrophobicContact CD2-SD 4.25Å; L457-M670 HydrophobicContact CG-CE 4.11Å; L457-M670 HydrophobicContact CG-SD 4.33Å; I625-M670 HydrophobicContact CD1-CE 3.97Å; I625-M670 HydrophobicContact CG1-CE 4.39Å; I625-M670 HydrophobicContact CG2-CE 3.68Å; A668-M670 PolarHBondContact O-N 3.36Å; M670-M688 HydrophobicContact CB-CE 3.63Å; M670-M688 HydrophobicContact CB-CG 3.96Å; M670-M688 HydrophobicContact CB-SD 4.46Å; M670-M688 HydrophobicContact CE-CE 4.28Å; M670-M688 HydrophobicContact CG-CE 3.59Å
671G53.4Low58Low41 Ų4183.3 Ų83.342%0.42343%0.428SS..  trans58.4169177.300000115.5A668 E669A668-G671 PolarHBondContact O-N 3.37Å; E669-G671 VanDerWaalsContact C-N 3.29Å; E669-G671 PolarHBondContact O-N 2.89Å
672D50.9Low56.4Low142 Ų14286.7 Ų86.776%0.75945%0.452SS*.BIsolated β-bridgetrans-81.7157.5170.7-72.4-37.3000110.7S674 H687D672-S674 PolarHBondContact O-N 3.29Å; D672-H687 PolarHBondContact O-ND1 2.84Å
673Y47.7Very low55.1Low149 Ų14987.7 Ų87.758%0.58446%0.461SS*.  trans-50.2121.9177.9179.7-99.9000112.9V675 H687Y673-V675 HydrophobicContact CD1-CG2 4.42Å; Y673-V675 HydrophobicContact CE1-CG2 3.65Å; Y673-H687 HydrophobicContact CD2-CB 4.48Å
674S43Very low54Low39 Ų3984.6 Ų84.627%0.27345%0.451SS..  trans-114.2135.5169.390.60000110.4D672 T676 H687D672-S674 PolarHBondContact O-N 3.29Å; S674-T676 PolarHBondContact O-N 3.47Å; S674-H687 PolarHBondContact OG-CE1 3.4Å; S674-H687 PolarHBondContact OG-NE2 2.96Å
675V43.9Very low53Low123 Ų12387.2 Ų87.275%0.74547%0.468SS*.SBendtrans-74-17.8-179.2177.20000111.4Y673 E677Y673-V675 HydrophobicContact CD1-CG2 4.42Å; Y673-V675 HydrophobicContact CE1-CG2 3.65Å; V675-E677 PolarHBondContact O-N 2.82Å
676T40.4Very low52.4Low92 Ų9284.7 Ų84.756%0.56446%0.458SS*.  trans-92.488.9-177.145.40000111.2S674 L678S674-T676 PolarHBondContact O-N 3.47Å; T676-L678 PolarHBondContact O-N 2.96Å
677E46.6Very low51.8Low95 Ų9584.9 Ų84.944%0.44446%0.459SS..  trans-66.174.9155.8-77.4-163.7168.600108.9K441 V675 Q679K441-E677 IonicContact NZ-OE1 2.77Å; K441-E677 IonicContact NZ-OE2 3.46Å; K441-E677 PolarHBondContact NZ-OE2 3.4Å; V675-E677 PolarHBondContact O-N 2.82Å; E677-Q679 PolarHBondContact O-N 3.02Å
678L43Very low51.9Low141 Ų14182.7 Ų82.774%0.73845%0.447SS*.  trans-76.797.1169.2-98.7159.4000108.9T676T676-L678 PolarHBondContact O-N 2.96Å
679Q47.3Very low52.5Low83 Ų8379.7 Ų79.739%0.38842%0.423SS..  trans-63.9143.3-170.1-71.7166.4-8.300114.1T93 Y442 E677 F681T93-Q679 HydrophobicContact CG2-CB 4.19Å; Y442-Q679 PolarHBondContact OH-NE2 3.14Å; Y442-Q679 VanDerWaalsContact OH-NE2 3.16Å; E677-Q679 PolarHBondContact O-N 3.02Å; Q679-F681 PolarHBondContact O-N 3.08Å
680R46.2Very low53.3Low30 Ų3076.2 Ų76.211%0.11341%0.413CS..SBendtrans83.5-23.7156.3-80.8-169.2176.974.2-4.2121.5Y90 C92 T93 Y442Y90-R680 PolarHBondContact O-NE 3.41Å; C92-R680 PolarHBondContact O-NE 3.03Å; C92-R680 PolarHBondContact O-NH1 2.82Å; C92-R680 PolarHBondContact O-NH2 2.88Å; T93-R680 VanDerWaalsContact C-NH1 3.25Å; T93-R680 PolarHBondContact O-NH1 2.96Å; Y442-R680 VanDerWaalsContact CD1-NH2 3.26Å
681F46.8Very low54.4Low146 Ų14677.2 Ų77.264%0.6442%0.419SS*.SBendtrans-128.5-9.7-168.8-66.2-77.1000117.8F91 Q679F91-F681 HydrophobicContact CB-CZ 4.12Å; F91-F681 AromaticContact CD1-CE1 3.59Å; F91-F681 HydrophobicContact CD1-CE1 3.59Å; F91-F681 AromaticContact CD1-CZ 3.72Å; F91-F681 HydrophobicContact CD1-CZ 3.72Å; F91-F681 HydrophobicContact CE1-CE1 4.16Å; F91-F681 HydrophobicContact CG-CZ 4.4Å; Q679-F681 PolarHBondContact O-N 3.08Å
682S43.5Very low56.1Low86 Ų8676 Ų7660%0.60140%0.402SS*.SBendtrans-119.5146.5167580000109S684S682-S684 PolarHBondContact O-N 2.91Å
683K50.1Low57.9Low192 Ų19269.5 Ų69.584%0.83537%0.367SS*.  trans-18.3121.8177.7-71.2177.8175.8-177.50111.6T685K683-T685 WeakPolarHBondContact O-CG2 3.43Å; K683-T685 PolarHBondContact O-N 2.76Å
684S51.4Low59.9Low36 Ų3662.6 Ų62.625%0.25234%0.34SS..  trans-48.4106.217136.70000108.1S682 Y686S682-S684 PolarHBondContact O-N 2.91Å; S684-Y686 VanDerWaalsContact O-CD2 3.27Å; S684-Y686 WeakPolarHBondContact O-CD2 3.5Å; S684-Y686 PolarHBondContact O-N 3.23Å; S684-Y686 WeakPolarHBondContact OG-CE2 3.09Å
685T56.8Low61.8Low69 Ų6961 Ų6142%0.42333%0.328SS..  trans-82.585.9-179.853.70000105.7K683 H687K683-T685 WeakPolarHBondContact O-CG2 3.43Å; K683-T685 PolarHBondContact O-N 2.76Å; T685-H687 VanDerWaalsContact CB-NE2 3.28Å; T685-H687 WeakPolarHBondContact CB-NE2 3.35Å; T685-H687 PolarHBondContact O-CD2 3.17Å; T685-H687 PolarHBondContact O-N 3.19Å; T685-H687 PolarHBondContact O-NE2 3.45Å; T685-H687 PolarHBondContact OG1-NE2 3.06Å
686Y64.9Low63.5Low4 Ų458.3 Ų58.32%0.01631%0.314CS..  trans-67.8125.1165.3-58.9-86000106.8D449 L453 M456 I625 S626 L630 S684D449-Y686 WeakPolarHBondContact CB-OH 3.21Å; D449-Y686 PolarHBondContact O-OH 3.07Å; L453-Y686 HydrophobicContact CB-CD1 4.45Å; L453-Y686 HydrophobicContact CB-CD2 4.36Å; L453-Y686 HydrophobicContact CB-CE1 4.09Å; L453-Y686 HydrophobicContact CB-CE2 3.94Å; L453-Y686 HydrophobicContact CD1-CD1 3.78Å; L453-Y686 HydrophobicContact CD1-CD2 4.04Å; L453-Y686 HydrophobicContact CD1-CE1 4.26Å; L453-Y686 HydrophobicContact CD1-CE2 4.46Å; L453-Y686 HydrophobicContact CD1-CG 3.66Å; L453-Y686 HydrophobicContact CD2-CD1 4.08Å; L453-Y686 HydrophobicContact CD2-CE1 3.97Å; L453-Y686 HydrophobicContact CG-CD1 4.33Å; L453-Y686 HydrophobicContact CG-CE1 4.34Å; M456-Y686 HydrophobicContact CE-CD2 3.29Å; M456-Y686 HydrophobicContact CE-CE2 3.65Å; M456-Y686 HydrophobicContact CE-CG 4.35Å; I625-Y686 HydrophobicContact CG2-CD1 4.43Å; S626-Y686 WeakPolarHBondContact O-CD1 3.24Å; L630-Y686 HydrophobicContact CD1-CE1 4.08Å; L630-Y686 HydrophobicContact CG-CE1 4.41Å; S684-Y686 VanDerWaalsContact O-CD2 3.27Å; S684-Y686 WeakPolarHBondContact O-CD2 3.5Å; S684-Y686 PolarHBondContact O-N 3.23Å; S684-Y686 WeakPolarHBondContact OG-CE2 3.09Å
687H66.5Low64.9Low20 Ų2062.1 Ų62.19%0.09332%0.318CS..  trans-112.5143.5177.3-60-75.2000110.1I625 S626 D672 Y673 S674 T685 A689I625-H687 WeakPolarHBondContact CA-O 3.34Å; S626-H687 PolarHBondContact N-O 3.2Å; S626-H687 PolarHBondContact OG-N 3.39Å; S626-H687 PolarHBondContact OG-O 2.88Å; D672-H687 PolarHBondContact O-ND1 2.84Å; Y673-H687 HydrophobicContact CD2-CB 4.48Å; S674-H687 PolarHBondContact OG-CE1 3.4Å; S674-H687 PolarHBondContact OG-NE2 2.96Å; T685-H687 VanDerWaalsContact CB-NE2 3.28Å; T685-H687 WeakPolarHBondContact CB-NE2 3.35Å; T685-H687 PolarHBondContact O-CD2 3.17Å; T685-H687 PolarHBondContact O-N 3.19Å; T685-H687 PolarHBondContact O-NE2 3.45Å; T685-H687 PolarHBondContact OG1-NE2 3.06Å; H687-A689 PolarHBondContact O-N 3.01Å
688M71.4Confident65.6Low19 Ų1959.3 Ų59.39%0.09431%0.308CS..EExtended strand (participates in β ladder)trans-77118.1170-63.9-157.5177.800109.9L457 S623 F666 M670 T691L457-M688 HydrophobicContact CD2-CE 3.83Å; S623-M688 WeakPolarHBondContact OG-CB 3.29Å; F666-M688 HydrophobicContact CB-CE 3.3Å; F666-M688 HydrophobicContact CB-SD 3.64Å; F666-M688 HydrophobicContact CD1-CE 4.12Å; F666-M688 HydrophobicContact CD2-CE 4.06Å; F666-M688 HydrophobicContact CD2-SD 3.49Å; F666-M688 WeakPolarHBondContact CD2-SD 3.2Å; F666-M688 HydrophobicContact CE2-SD 4.31Å; F666-M688 HydrophobicContact CG-CE 3.58Å; F666-M688 HydrophobicContact CG-SD 3.67Å; M670-M688 HydrophobicContact CB-CE 3.63Å; M670-M688 HydrophobicContact CB-CG 3.96Å; M670-M688 HydrophobicContact CB-SD 4.46Å; M670-M688 HydrophobicContact CE-CE 4.28Å; M670-M688 HydrophobicContact CG-CE 3.59Å; M688-T691 VanDerWaalsContact CB-OG1 3.29Å; M688-T691 WeakPolarHBondContact CB-OG1 3.38Å
689A69.5Low66.2Low30 Ų3055.3 Ų55.325%0.24829%0.292CS..EExtended strand (participates in β ladder)trans-98.9136.8172.500000109.3S623 R624 H687 T691S623-A689 PolarHBondContact OG-O 3.29Å; R624-A689 HydrophobicContact CB-CB 4.31Å; R624-A689 PolarHBondContact N-O 2.95Å; R624-A689 PolarHBondContact O-N 2.85Å; H687-A689 PolarHBondContact O-N 3.01Å; A689-T691 VanDerWaalsContact C-N 3.3Å; A689-T691 PolarHBondContact O-N 3.17Å
690S75.4Confident66.3Low58 Ų5856.8 Ų56.841%0.40631%0.311SS..EExtended strand (participates in β ladder)trans59.330.8172.2640000116K692S690-K692 PolarHBondContact O-N 3.19Å
691T84Confident66.6Low27 Ų2764 Ų6417%0.16635%0.345CS..EExtended strand (participates in β ladder)trans-56.5128.6179.7-46.20000112.3Y622 S623 F666 M688 A689 Y693Y622-T691 WeakPolarHBondContact O-CA 3.35Å; S623-T691 PolarHBondContact OG-OG1 3.19Å; F666-T691 HydrophobicContact CD2-CG2 3.76Å; F666-T691 HydrophobicContact CE2-CG2 3.76Å; M688-T691 VanDerWaalsContact CB-OG1 3.29Å; M688-T691 WeakPolarHBondContact CB-OG1 3.38Å; A689-T691 VanDerWaalsContact C-N 3.3Å; A689-T691 PolarHBondContact O-N 3.17Å; T691-Y693 HydrophobicContact CG2-CD2 4.36Å; T691-Y693 HydrophobicContact CG2-CE2 3.62Å
692K88.1Confident66.9Low14 Ų1459.4 Ų59.46%0.06133%0.327CS..EExtended strand (participates in β ladder)trans-131.5131.9178.8-70.9167.6-175.9172.90109D601 A621 Y622 V653 S690 F694D601-K692 IonicContact OD1-NZ 2.79Å; D601-K692 PolarHBondContact OD1-NZ 3.45Å; D601-K692 WeakPolarHBondContact OD2-CD 3.28Å; D601-K692 WeakPolarHBondContact OD2-CE 3.45Å; D601-K692 IonicContact OD2-NZ 2.77Å; D601-K692 PolarHBondContact OD2-NZ 2.98Å; A621-K692 CarbonylContact C-O 3.51Å; A621-K692 VanDerWaalsContact CA-O 3.31Å; A621-K692 WeakPolarHBondContact CA-O 3.34Å; Y622-K692 PolarHBondContact N-O 2.57Å; Y622-K692 PolarHBondContact O-N 3.46Å; V653-K692 HydrophobicContact CG1-CB 4.16Å; V653-K692 HydrophobicContact CG1-CD 4.39Å; V653-K692 HydrophobicContact CG1-CG 3.99Å; S690-K692 PolarHBondContact O-N 3.19Å; K692-F694 HydrophobicContact CB-CE2 4.35Å; K692-F694 HydrophobicContact CB-CZ 4.05Å
693Y89.1Confident67.8Low7 Ų758.8 Ų58.83%0.02732%0.322CS..EExtended strand (participates in β ladder)trans-107.5140.1169.8-59.8-83.9000109L620 A621 V653 V654 V657 V660 L664 F666 T691L620-Y693 CarbonylContact O-C 3.54Å; L620-Y693 WeakPolarHBondContact O-CA 3.48Å; A621-Y693 HydrophobicContact CB-CD1 3.67Å; A621-Y693 HydrophobicContact CB-CE1 3.91Å; V653-Y693 CarbonylContact C-O 3.6Å; V653-Y693 WeakPolarHBondContact CA-O 3.18Å; V654-Y693 PolarHBondContact N-O 2.74Å; V654-Y693 PolarHBondContact O-N 2.76Å; V657-Y693 HydrophobicContact CG2-CE2 4.14Å; V660-Y693 HydrophobicContact CB-CD2 4.43Å; V660-Y693 HydrophobicContact CB-CG 4.3Å; V660-Y693 HydrophobicContact CG1-CD1 3.71Å; V660-Y693 HydrophobicContact CG1-CD2 4.36Å; V660-Y693 HydrophobicContact CG1-CE1 4.19Å; V660-Y693 HydrophobicContact CG1-CG 3.8Å; V660-Y693 HydrophobicContact CG2-CD1 4.33Å; V660-Y693 HydrophobicContact CG2-CD2 3.53Å; V660-Y693 HydrophobicContact CG2-CE2 4.17Å; V660-Y693 HydrophobicContact CG2-CG 3.59Å; L664-Y693 VanDerWaalsContact O-CE1 3.29Å; L664-Y693 WeakPolarHBondContact O-CE1 3.39Å; F666-Y693 HydrophobicContact CD2-CE1 4.01Å; F666-Y693 AromaticContact CD2-CZ 3.97Å; F666-Y693 WeakPolarHBondContact CD2-OH 3.45Å; F666-Y693 HydrophobicContact CE2-CE1 4.21Å; F666-Y693 PolarHBondContact N-OH 3.17Å; T691-Y693 HydrophobicContact CG2-CD2 4.36Å; T691-Y693 HydrophobicContact CG2-CE2 3.62Å
694F89.4Confident68.7Low4 Ų453.9 Ų53.92%0.01831%0.312CS..EExtended strand (participates in β ladder)trans-113.1111.4-177.9-56.4-80.2000108.2I600 K619 L620 N650 L652 V653 K692I600-F694 HydrophobicContact CD1-CE2 4.36Å; I600-F694 WeakPolarHBondContact O-CZ 3.14Å; K619-F694 HydrophobicContact CB-CD2 4.06Å; K619-F694 HydrophobicContact CB-CG 4.47Å; K619-F694 HydrophobicContact CD-CB 4.45Å; K619-F694 HydrophobicContact CD-CD1 3.89Å; K619-F694 HydrophobicContact CD-CD2 3.79Å; K619-F694 HydrophobicContact CD-CE1 4Å; K619-F694 HydrophobicContact CD-CE2 3.91Å; K619-F694 HydrophobicContact CD-CG 3.78Å; K619-F694 HydrophobicContact CD-CZ 4.02Å; K619-F694 HydrophobicContact CG-CB 3.97Å; K619-F694 HydrophobicContact CG-CD1 4.33Å; K619-F694 HydrophobicContact CG-CD2 3.85Å; K619-F694 HydrophobicContact CG-CE2 4.43Å; K619-F694 HydrophobicContact CG-CG 3.79Å; L620-F694 PolarHBondContact O-N 2.92Å; N650-F694 HydrophobicContact CB-CB 3.74Å; N650-F694 WeakPolarHBondContact CB-O 3.4Å; L652-F694 WeakPolarHBondContact O-CA 2.97Å; V653-F694 HydrophobicContact CG2-CD1 4.05Å; V653-F694 HydrophobicContact CG2-CE1 3.95Å; K692-F694 HydrophobicContact CB-CE2 4.35Å; K692-F694 HydrophobicContact CB-CZ 4.05Å
695L84Confident69.6Low5 Ų555.4 Ų55.43%0.02633%0.327CS..EExtended strand (participates in β ladder)trans-106.4154.8179-61.2-175.7000110.9L652 V654 L664 M714L652-L695 HydrophobicContact CB-CB 4.41Å; L652-L695 WeakPolarHBondContact CB-O 3.35Å; L652-L695 HydrophobicContact CD2-CB 4.34Å; L652-L695 PolarHBondContact N-O 3.47Å; L652-L695 VanDerWaalsContact N-O 3.16Å; L652-L695 PolarHBondContact O-N 2.85Å; V654-L695 HydrophobicContact CB-CD1 4.38Å; V654-L695 HydrophobicContact CG2-CD1 3.62Å; V654-L695 HydrophobicContact CG2-CG 4.06Å; L664-L695 HydrophobicContact CD1-CD2 3.62Å; L695-M714 HydrophobicContact CD1-CE 3.84Å
696P79Confident70.1Confident67 Ų6753.5 Ų53.544%0.43532%0.319SS..PPolyproline II helixtrans-63.8138.6173.124.7-32.5000109.8N650N650-P696 VanDerWaalsContact OD1-CA 3.32Å; N650-P696 WeakPolarHBondContact OD1-CA 3.3Å; N650-P696 WeakPolarHBondContact OD1-CD 3.09Å; N650-P696 VanDerWaalsContact OD1-N 3.15Å
697R70.8Confident70.1Confident171 Ų17158.6 Ų58.665%0.64534%0.341SS*.PPolyproline II helixtrans-67.6139.8169.7-79.1-177-174.9170.85.2108.8T651 L652 S699T651-R697 VanDerWaalsContact OG1-CD 3.3Å; T651-R697 WeakPolarHBondContact OG1-CD 3.39Å; T651-R697 WeakPolarHBondContact OG1-CG 3.04Å; T651-R697 PolarHBondContact OG1-NE 3.37Å; L652-R697 HydrophobicContact CB-CG 4.27Å; R697-S699 PolarHBondContact O-N 2.66Å
698P60Low70.3Confident36 Ų3665.2 Ų65.223%0.23437%0.369CS..PPolyproline II helixtrans-56.6127.2164.7-16.227.9000108.1S700 K707P698-S700 PolarHBondContact O-N 3.46Å; P698-K707 HydrophobicContact CB-CD 4.48Å; P698-K707 HydrophobicContact CB-CG 3.96Å; P698-K707 HydrophobicContact CG-CG 4.27Å
699S55.3Low70.5Confident58 Ų5870.7 Ų70.741%0.40639%0.392SS..PPolyproline II helixtrans-54.9139.1-174.949.80000111.1R697 H701 M702R697-S699 PolarHBondContact O-N 2.66Å; S699-H701 PolarHBondContact O-N 2.89Å; S699-H701 VanDerWaalsContact O-N 3.09Å; S699-M702 WeakPolarHBondContact O-CB 3.48Å; S699-M702 PolarHBondContact O-N 3.47Å; S699-M702 VanDerWaalsContact OG-CG 3.3Å; S699-M702 WeakPolarHBondContact OG-CG 3.33Å
700S50.1Low70.2Confident113 Ų11374.6 Ų74.679%0.7940%0.401SS*.THydrogen-bonded Turntrans-58.2-21.5179.845.50000113.2P698P698-S700 PolarHBondContact O-N 3.46Å
701H51.9Low69.6Low181 Ų18176 Ų7684%0.83840%0.404SS*.THydrogen-bonded Turntrans-84.9-0.8176.4-63.2-69.6000114.5S699S699-H701 PolarHBondContact O-N 2.89Å; S699-H701 VanDerWaalsContact O-N 3.09Å
702M54.8Low68.9Low50 Ų5077.3 Ų77.325%0.24642%0.417CS..SBendtrans-79125.7174.4-77.5179.989.100111.1S699 A706 R710S699-M702 WeakPolarHBondContact O-CB 3.48Å; S699-M702 PolarHBondContact O-N 3.47Å; S699-M702 VanDerWaalsContact OG-CG 3.3Å; S699-M702 WeakPolarHBondContact OG-CG 3.33Å; M702-A706 HydrophobicContact CB-CB 4.09Å; M702-A706 HydrophobicContact CE-CB 3.49Å; M702-A706 VanDerWaalsContact CE-CB 3.49Å; M702-A706 VanDerWaalsContact CE-O 3.3Å; M702-A706 WeakPolarHBondContact CE-O 3.25Å; M702-A706 HydrophobicContact CG-CB 4.28Å; M702-R710 HydrophobicContact CE-CB 3.96Å; M702-R710 HydrophobicContact CE-CG 4.3Å; M702-R710 PolarHBondContact SD-NH1 2.77Å
703S60.7Low68.1Low73 Ų7381 Ų8151%0.5143%0.434SS..  trans-53.3154.1168.976.70000110.8A705 A706 K707S703-A705 PolarHBondContact O-N 3.37Å; S703-A706 PolarHBondContact O-N 3.12Å; S703-A706 PolarHBondContact OG-N 3.12Å; S703-K707 PolarHBondContact O-N 3.37Å
704S69Low66.6Low89 Ų8983.3 Ų83.362%0.62245%0.446SS*.Hα-helixtrans-52.5-33.8177.6176.30000112.7K708S704-K708 PolarHBondContact O-N 3.38Å
705A71.8Confident65.1Low69 Ų6989.3 Ų89.357%0.5747%0.472SS*.Hα-helixtrans-68.8-45.9176.900000111.4S703 K707 K708 K709S703-A705 PolarHBondContact O-N 3.37Å; A705-K707 VanDerWaalsContact C-N 3.32Å; A705-K707 PolarHBondContact O-N 2.91Å; A705-K708 PolarHBondContact O-N 3.42Å; A705-K709 WeakPolarHBondContact O-CB 3.3Å; A705-K709 PolarHBondContact O-N 2.73Å
706A67.2Low64Low29 Ų2992 Ų9224%0.2450%0.496CS..Hα-helixtrans-64.3-38.6177.100000111.2M702 S703 K709 R710M702-A706 HydrophobicContact CB-CB 4.09Å; M702-A706 HydrophobicContact CE-CB 3.49Å; M702-A706 VanDerWaalsContact CE-CB 3.49Å; M702-A706 VanDerWaalsContact CE-O 3.3Å; M702-A706 WeakPolarHBondContact CE-O 3.25Å; M702-A706 HydrophobicContact CG-CB 4.28Å; S703-A706 PolarHBondContact O-N 3.12Å; S703-A706 PolarHBondContact OG-N 3.12Å; A706-K709 PolarHBondContact O-N 3.28Å; A706-R710 WeakPolarHBondContact O-CB 3.4Å; A706-R710 PolarHBondContact O-N 2.98Å
707K63.9Low62.6Low111 Ų11195.5 Ų95.548%0.48351%0.506SS..Hα-helixtrans-61.9-44.9174.8-165.1175-174.9177.60111.7P698 S703 A705 L711P698-K707 HydrophobicContact CB-CD 4.48Å; P698-K707 HydrophobicContact CB-CG 3.96Å; P698-K707 HydrophobicContact CG-CG 4.27Å; S703-K707 PolarHBondContact O-N 3.37Å; A705-K707 VanDerWaalsContact C-N 3.32Å; A705-K707 PolarHBondContact O-N 2.91Å; K707-L711 WeakPolarHBondContact O-CB 3.32Å; K707-L711 PolarHBondContact O-N 3.07Å
708K70.7Confident61.5Low158 Ų15889.1 Ų89.169%0.68748%0.484SS*.Hα-helixtrans-63.4-43.2173.7-81.9-176.6177.4-179.80112S704 A705 L711 A712S704-K708 PolarHBondContact O-N 3.38Å; A705-K708 PolarHBondContact O-N 3.42Å; K708-L711 PolarHBondContact O-N 2.93Å; K708-A712 WeakPolarHBondContact O-CB 3.48Å; K708-A712 PolarHBondContact O-N 3.14Å
709K75.5Confident60.6Low134 Ų13494.4 Ų94.458%0.58352%0.516SS*.Hα-helixtrans-61.5-48.4177.8-167.2-170.4-177.3-158.70111.3A705 A706 L711 A712 E713A705-K709 WeakPolarHBondContact O-CB 3.3Å; A705-K709 PolarHBondContact O-N 2.73Å; A706-K709 PolarHBondContact O-N 3.28Å; K709-L711 VanDerWaalsContact C-N 3.33Å; K709-L711 PolarHBondContact O-N 3.34Å; K709-A712 CarbonylContact O-C 3.5Å; K709-A712 WeakPolarHBondContact O-CA 3.46Å; K709-A712 WeakPolarHBondContact O-CB 3.33Å; K709-A712 PolarHBondContact O-N 3.25Å; K709-A712 VanDerWaalsContact O-N 3.08Å; K709-E713 WeakPolarHBondContact CE-OE1 3.3Å; K709-E713 HydrophobicContact CG-CG 4.49Å; K709-E713 IonicContact NZ-OE1 2.65Å; K709-E713 PolarHBondContact NZ-OE1 3.2Å; K709-E713 WeakPolarHBondContact O-CG 3.49Å; K709-E713 PolarHBondContact O-N 3.3Å
710R62.9Low60.9Low112 Ų11296.2 Ų96.242%0.42352%0.521SS..Hα-helixtrans-64.1-38.4178.3-147.5-176.6-168.8166.2-4.1111.9M702 A706 A712 E713 M714M702-R710 HydrophobicContact CE-CB 3.96Å; M702-R710 HydrophobicContact CE-CG 4.3Å; M702-R710 PolarHBondContact SD-NH1 2.77Å; A706-R710 WeakPolarHBondContact O-CB 3.4Å; A706-R710 PolarHBondContact O-N 2.98Å; R710-A712 VanDerWaalsContact C-N 3.31Å; R710-E713 PolarHBondContact O-N 3.34Å; R710-M714 WeakPolarHBondContact O-CB 3.46Å; R710-M714 VanDerWaalsContact O-CG 3.26Å; R710-M714 WeakPolarHBondContact O-CG 3.42Å; R710-M714 PolarHBondContact O-N 3.24Å
711L64.1Low61.4Low89 Ų8995.3 Ų95.347%0.46651%0.507SS..Hα-helixtrans-65.9-35.4173.8-146.6105.2000111.7K707 K708 K709 K715K707-L711 WeakPolarHBondContact O-CB 3.32Å; K707-L711 PolarHBondContact O-N 3.07Å; K708-L711 PolarHBondContact O-N 2.93Å; K709-L711 VanDerWaalsContact C-N 3.33Å; K709-L711 PolarHBondContact O-N 3.34Å; L711-K715 WeakPolarHBondContact O-CB 3.37Å; L711-K715 WeakPolarHBondContact O-CG 3.39Å; L711-K715 PolarHBondContact O-N 3.21Å
712A69.1Low61.9Low54 Ų5490.6 Ų90.645%0.44649%0.489SS..Hα-helixtrans-71.8-40.3174.500000112.1K708 K709 R710 K715 A716K708-A712 WeakPolarHBondContact O-CB 3.48Å; K708-A712 PolarHBondContact O-N 3.14Å; K709-A712 CarbonylContact O-C 3.5Å; K709-A712 WeakPolarHBondContact O-CA 3.46Å; K709-A712 WeakPolarHBondContact O-CB 3.33Å; K709-A712 PolarHBondContact O-N 3.25Å; K709-A712 VanDerWaalsContact O-N 3.08Å; R710-A712 VanDerWaalsContact C-N 3.31Å; A712-K715 CarbonylContact O-C 3.51Å; A712-K715 WeakPolarHBondContact O-CB 3.4Å; A712-K715 PolarHBondContact O-N 3.08Å; A712-A716 WeakPolarHBondContact O-CB 3.2Å; A712-A716 PolarHBondContact O-N 2.93Å
713E71Confident62.4Low91 Ų9192.9 Ų92.943%0.42550%0.503SS..Hα-helixtrans-63.1-42.6173.4-73.7167.5179.600110.9K709 R710 K715 A716 Q717K709-E713 WeakPolarHBondContact CE-OE1 3.3Å; K709-E713 HydrophobicContact CG-CG 4.49Å; K709-E713 IonicContact NZ-OE1 2.65Å; K709-E713 PolarHBondContact NZ-OE1 3.2Å; K709-E713 WeakPolarHBondContact O-CG 3.49Å; K709-E713 PolarHBondContact O-N 3.3Å; R710-E713 PolarHBondContact O-N 3.34Å; E713-K715 VanDerWaalsContact C-N 3.32Å; E713-K715 PolarHBondContact O-N 3.39Å; E713-A716 PolarHBondContact O-N 3.19Å; E713-Q717 PolarHBondContact O-N 2.84Å
714M58.4Low62.5Low56 Ų5694.2 Ų94.228%0.27650%0.503SS..Hα-helixtrans-61.4-40.5172-74179.674.700111.6L695 R710 Q717 I718L695-M714 HydrophobicContact CD1-CE 3.84Å; R710-M714 WeakPolarHBondContact O-CB 3.46Å; R710-M714 VanDerWaalsContact O-CG 3.26Å; R710-M714 WeakPolarHBondContact O-CG 3.42Å; R710-M714 PolarHBondContact O-N 3.24Å; M714-Q717 PolarHBondContact O-N 3.28Å; M714-I718 VanDerWaalsContact O-CD1 3.28Å; M714-I718 WeakPolarHBondContact O-CD1 3.42Å; M714-I718 WeakPolarHBondContact O-CG1 2.95Å; M714-I718 PolarHBondContact O-N 3.37Å
715K58.1Low62Low129 Ų12994.5 Ų94.556%0.56150%0.495SS*.Hα-helixtrans-66.7-34173-78-179.3176.7-171.60113.2L711 A712 E713 I718 T719L711-K715 WeakPolarHBondContact O-CB 3.37Å; L711-K715 WeakPolarHBondContact O-CG 3.39Å; L711-K715 PolarHBondContact O-N 3.21Å; A712-K715 CarbonylContact O-C 3.51Å; A712-K715 WeakPolarHBondContact O-CB 3.4Å; A712-K715 PolarHBondContact O-N 3.08Å; E713-K715 VanDerWaalsContact C-N 3.32Å; E713-K715 PolarHBondContact O-N 3.39Å; K715-I718 WeakPolarHBondContact O-CB 3.18Å; K715-I718 PolarHBondContact O-N 2.68Å; K715-I718 VanDerWaalsContact O-N 3.16Å; K715-T719 PolarHBondContact O-N 2.93Å
716A59.9Low61.3Low63 Ų6396.4 Ų96.452%0.52149%0.489SS..Hα-helixtrans-72.3-29.317700000112.3A712 E713 I718 T719A712-A716 WeakPolarHBondContact O-CB 3.2Å; A712-A716 PolarHBondContact O-N 2.93Å; E713-A716 PolarHBondContact O-N 3.19Å; A716-I718 PolarHBondContact O-N 3.29Å; A716-T719 PolarHBondContact O-OG1 2.75Å
717Q49.2Very low60.9Low140 Ų140101.5 Ų101.565%0.65451%0.508SS*.THydrogen-bonded Turntrans-76.5-8.8169.7-72.5-176-900113.6E713 M714E713-Q717 PolarHBondContact O-N 2.84Å; M714-Q717 PolarHBondContact O-N 3.28Å
718I49.1Very low60.6Low37 Ų37100.8 Ų100.819%0.1951%0.511CS..THydrogen-bonded Turntrans-88.2-30.5179-76.6163.1000111.7A658 M714 K715 A716A658-I718 WeakPolarHBondContact O-CG2 3.4Å; M714-I718 VanDerWaalsContact O-CD1 3.28Å; M714-I718 WeakPolarHBondContact O-CD1 3.42Å; M714-I718 WeakPolarHBondContact O-CG1 2.95Å; M714-I718 PolarHBondContact O-N 3.37Å; K715-I718 WeakPolarHBondContact O-CB 3.18Å; K715-I718 PolarHBondContact O-N 2.68Å; K715-I718 VanDerWaalsContact O-N 3.16Å; A716-I718 PolarHBondContact O-N 3.29Å
719T39.9Very low59.7Low146 Ų14695.5 Ų95.590%0.89650%0.495SS*.  trans-700163.834.70000110R662 K715 A716R662-T719 PolarHBondContact NH2-O 2.68Å; R662-T719 VanDerWaalsContact NH2-O 3.13Å; K715-T719 PolarHBondContact O-N 2.93Å; A716-T719 PolarHBondContact O-OG1 2.75Å

Retrieved 719 of 719 residues in 627 ms (Link to these results)

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