A0A087YCC5_POEFO Loading...

Phosphatidylcholine:ceramide cholinephosphotransferase 1

AlphaFold DB (A0A3B3U9Y7), UniProt , Accession A0A087YCC5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 409 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
1M54Low78.4Confident124 Ų12473.4 Ų73.461%0.61141%0.406SS*.  0178.70-83.2148.980.200106.9W7 E74M1-W7 HydrophobicContact CE-CZ2 4.31Å; M1-E74 PolarHBondContact N-OE1 3.42Å; M1-E74 PolarHBondContact N-OE2 2.64Å
2K61.3Low79Confident154 Ų15467.3 Ų67.367%0.6737%0.373SS*.  trans-64.7138.5165.2-75.5-178.1-179.7175.90107.1V4 W7K2-V4 PolarHBondContact O-N 3.09Å; K2-W7 PolarHBondContact O-NE1 3.43Å
3N75.4Confident79.4Confident55 Ų5564.8 Ų64.829%0.29436%0.363SS..  trans-51.2130175.9-175.3-41.4000108.5A5 A6 W7 D75N3-A5 PolarHBondContact O-N 3.13Å; N3-A5 VanDerWaalsContact O-N 3.16Å; N3-A5 WeakPolarHBondContact OD1-CB 3.39Å; N3-A5 PolarHBondContact OD1-N 2.95Å; N3-A6 WeakPolarHBondContact O-CB 3.47Å; N3-A6 PolarHBondContact O-N 3.26Å; N3-W7 VanDerWaalsContact O-CD1 3.32Å; N3-D75 PolarHBondContact ND2-OD1 3Å
4V79.4Confident79.9Confident5 Ų566.6 Ų66.63%0.0337%0.371CS..G310 helixtrans-58.5-27.9-176.6177.50000111.4K2 A6 W7 G33 L37 L67 T71K2-V4 PolarHBondContact O-N 3.09Å; V4-A6 PolarHBondContact O-N 3.19Å; V4-A6 VanDerWaalsContact O-N 3.1Å; V4-W7 HydrophobicContact CB-CD2 4.35Å; V4-W7 HydrophobicContact CG1-CD2 4.17Å; V4-W7 HydrophobicContact CG1-CE3 4.15Å; V4-W7 HydrophobicContact CG2-CD2 4.27Å; V4-W7 HydrophobicContact CG2-CH2 4.09Å; V4-W7 HydrophobicContact CG2-CZ2 3.7Å; V4-W7 HydrophobicContact CG2-CZ3 4.5Å; V4-W7 WeakPolarHBondContact O-CB 3.48Å; V4-W7 PolarHBondContact O-N 3.17Å; V4-W7 VanDerWaalsContact O-N 3.1Å; V4-G33 WeakPolarHBondContact O-CA 3.41Å; V4-L37 HydrophobicContact CB-CD1 4.15Å; V4-L37 HydrophobicContact CG1-CD1 3.69Å; V4-L37 HydrophobicContact CG1-CD2 4.29Å; V4-L37 HydrophobicContact CG1-CG 3.87Å; V4-L67 HydrophobicContact CB-CD2 4.34Å; V4-L67 HydrophobicContact CG1-CD2 3.67Å; V4-L67 HydrophobicContact CG2-CD1 4.09Å; V4-L67 HydrophobicContact CG2-CD2 3.72Å; V4-L67 HydrophobicContact CG2-CG 3.75Å; V4-T71 HydrophobicContact CB-CG2 3.52Å; V4-T71 HydrophobicContact CG2-CG2 3.2Å
5A77.1Confident80.4Confident63 Ų6363.2 Ų63.252%0.52135%0.35SS..G310 helixtrans-61.3-18173.400000113.7N3 P34N3-A5 PolarHBondContact O-N 3.13Å; N3-A5 VanDerWaalsContact O-N 3.16Å; N3-A5 WeakPolarHBondContact OD1-CB 3.39Å; N3-A5 PolarHBondContact OD1-N 2.95Å; A5-P34 WeakPolarHBondContact O-CG 3.24Å
6A81.6Confident80.8Confident73 Ų7359.3 Ų59.360%0.60333%0.329SS*.G310 helixtrans-104.78.7178.500000113.7N3 V4N3-A6 WeakPolarHBondContact O-CB 3.47Å; N3-A6 PolarHBondContact O-N 3.26Å; V4-A6 PolarHBondContact O-N 3.19Å; V4-A6 VanDerWaalsContact O-N 3.1Å
7W87.1Confident81.1Confident20 Ų2059.5 Ų59.58%0.07634%0.335CS..  trans-76.3131.1-179.1-7313.5000111.8M1 K2 N3 V4 D11 V12 W15 G33 L67M1-W7 HydrophobicContact CE-CZ2 4.31Å; K2-W7 PolarHBondContact O-NE1 3.43Å; N3-W7 VanDerWaalsContact O-CD1 3.32Å; V4-W7 HydrophobicContact CB-CD2 4.35Å; V4-W7 HydrophobicContact CG1-CD2 4.17Å; V4-W7 HydrophobicContact CG1-CE3 4.15Å; V4-W7 HydrophobicContact CG2-CD2 4.27Å; V4-W7 HydrophobicContact CG2-CH2 4.09Å; V4-W7 HydrophobicContact CG2-CZ2 3.7Å; V4-W7 HydrophobicContact CG2-CZ3 4.5Å; V4-W7 WeakPolarHBondContact O-CB 3.48Å; V4-W7 PolarHBondContact O-N 3.17Å; V4-W7 VanDerWaalsContact O-N 3.1Å; W7-D11 HydrophobicContact CB-CB 3.94Å; W7-D11 HydrophobicContact CD2-CB 4.39Å; W7-D11 HydrophobicContact CG-CB 4.06Å; W7-V12 HydrophobicContact CB-CG2 4.43Å; W7-V12 HydrophobicContact CE3-CG2 4.18Å; W7-W15 HydrophobicContact CH2-CB 4.05Å; W7-W15 AromaticContact CH2-CD1 3.56Å; W7-W15 HydrophobicContact CH2-CD2 4.36Å; W7-W15 AromaticContact CH2-CG 3.71Å; W7-W15 HydrophobicContact CH2-CG 3.71Å; W7-W15 HydrophobicContact CZ3-CB 3.69Å; W7-W15 AromaticContact CZ3-CD1 3.93Å; W7-W15 HydrophobicContact CZ3-CD2 4.03Å; W7-W15 AromaticContact CZ3-CG 3.58Å; W7-W15 HydrophobicContact CZ3-CG 3.58Å; W7-G33 PolarHBondContact O-N 2.86Å; W7-G33 VanDerWaalsContact O-N 3.16Å; W7-L67 HydrophobicContact CH2-CD1 3.62Å; W7-L67 HydrophobicContact CH2-CD2 4.2Å; W7-L67 HydrophobicContact CH2-CG 4.49Å; W7-L67 HydrophobicContact CZ2-CD1 4.32Å; W7-L67 HydrophobicContact CZ3-CD1 4.28Å; W7-L67 HydrophobicContact CZ3-CD2 4.1Å
8S87.2Confident81.4Confident54 Ų5464.6 Ų64.638%0.37835%0.353SS..  trans-77.3166.8168.9690000111.4K10 D11 V12S8-K10 PolarHBondContact O-N 2.88Å; S8-D11 WeakPolarHBondContact CB-OD2 3.45Å; S8-D11 PolarHBondContact N-OD2 3.16Å; S8-D11 WeakPolarHBondContact O-CB 3.44Å; S8-D11 PolarHBondContact O-N 3.1Å; S8-D11 VanDerWaalsContact OG-CG 3.28Å; S8-D11 PolarHBondContact OG-N 3.16Å; S8-D11 PolarHBondContact OG-OD2 3.1Å; S8-V12 PolarHBondContact O-N 3.39Å; S8-V12 VanDerWaalsContact O-N 3.13Å
9T87.1Confident81.6Confident59 Ų5963.6 Ų63.636%0.36235%0.346SS..Hα-helixtrans-56.9-31.6175.353.70000112.8S13T9-S13 PolarHBondContact O-N 2.82Å; T9-S13 VanDerWaalsContact O-N 3.17Å
10K85.8Confident81.8Confident145 Ų14564.4 Ų64.463%0.6336%0.356SS*.Hα-helixtrans-68.9-41174.4-171.7176.1178.6-179.40112S8 V12 S13 D14S8-K10 PolarHBondContact O-N 2.88Å; K10-V12 VanDerWaalsContact C-N 3.3Å; K10-V12 PolarHBondContact O-N 3.44Å; K10-S13 PolarHBondContact O-N 3.26Å; K10-D14 PolarHBondContact O-N 2.87Å
11D86.3Confident81.9Confident55 Ų5561.3 Ų61.329%0.29434%0.339SS..Hα-helixtrans-64.8-36.1178.2-59.4-55.5000111.3W7 S8 W15W7-D11 HydrophobicContact CB-CB 3.94Å; W7-D11 HydrophobicContact CD2-CB 4.39Å; W7-D11 HydrophobicContact CG-CB 4.06Å; S8-D11 WeakPolarHBondContact CB-OD2 3.45Å; S8-D11 PolarHBondContact N-OD2 3.16Å; S8-D11 WeakPolarHBondContact O-CB 3.44Å; S8-D11 PolarHBondContact O-N 3.1Å; S8-D11 VanDerWaalsContact OG-CG 3.28Å; S8-D11 PolarHBondContact OG-N 3.16Å; S8-D11 PolarHBondContact OG-OD2 3.1Å; D11-W15 WeakPolarHBondContact O-CB 3.45Å; D11-W15 PolarHBondContact O-N 3.21Å
12V85.5Confident83.2Confident1 Ų159.1 Ų59.11%0.00633%0.334CS..Hα-helixtrans-65.2-44.7174.2173.80000111.4W7 S8 K10 D14 W15 L16 T31 L36W7-V12 HydrophobicContact CB-CG2 4.43Å; W7-V12 HydrophobicContact CE3-CG2 4.18Å; S8-V12 PolarHBondContact O-N 3.39Å; S8-V12 VanDerWaalsContact O-N 3.13Å; K10-V12 VanDerWaalsContact C-N 3.3Å; K10-V12 PolarHBondContact O-N 3.44Å; V12-D14 PolarHBondContact O-N 3.21Å; V12-W15 PolarHBondContact O-N 2.9Å; V12-L16 HydrophobicContact CG1-CD1 4.24Å; V12-L16 WeakPolarHBondContact O-CG 3.42Å; V12-L16 PolarHBondContact O-N 3.31Å; V12-T31 WeakPolarHBondContact CG2-O 3.37Å; V12-L36 HydrophobicContact CG1-CD1 4.35Å; V12-L36 HydrophobicContact CG1-CD2 4.16Å; V12-L36 HydrophobicContact CG2-CD2 4.41Å
13S84.9Confident84.2Confident35 Ų3555.5 Ų55.525%0.24532%0.32CS..Hα-helixtrans-61.9-42.3176.2173.50000112.7T9 K10 W15 L16 S17 T25T9-S13 PolarHBondContact O-N 2.82Å; T9-S13 VanDerWaalsContact O-N 3.17Å; K10-S13 PolarHBondContact O-N 3.26Å; S13-W15 VanDerWaalsContact C-N 3.33Å; S13-L16 PolarHBondContact O-N 2.99Å; S13-S17 PolarHBondContact O-N 3.11Å; S13-S17 VanDerWaalsContact O-N 3.11Å; S13-S17 PolarHBondContact O-OG 2.88Å; S13-T25 WeakPolarHBondContact OG-CG2 3.48Å
14D86.3Confident84.6Confident89 Ų8953 Ų5348%0.47631%0.306SS..Hα-helixtrans-66.9-37177.8-71.1-14.7000110.9K10 V12 S17 K18K10-D14 PolarHBondContact O-N 2.87Å; V12-D14 PolarHBondContact O-N 3.21Å; D14-S17 PolarHBondContact O-N 3.49Å; D14-K18 WeakPolarHBondContact O-CB 3.43Å; D14-K18 PolarHBondContact O-N 3.3Å
15W87.9Confident84.7Confident16 Ų1654.2 Ų54.26%0.06131%0.314CS..Hα-helixtrans-65.8-47174.417778.1000112.7W7 D11 V12 S13 S17 K18 E19 M21 L36 L60 R63 M64 L67W7-W15 HydrophobicContact CH2-CB 4.05Å; W7-W15 AromaticContact CH2-CD1 3.56Å; W7-W15 HydrophobicContact CH2-CD2 4.36Å; W7-W15 AromaticContact CH2-CG 3.71Å; W7-W15 HydrophobicContact CH2-CG 3.71Å; W7-W15 HydrophobicContact CZ3-CB 3.69Å; W7-W15 AromaticContact CZ3-CD1 3.93Å; W7-W15 HydrophobicContact CZ3-CD2 4.03Å; W7-W15 AromaticContact CZ3-CG 3.58Å; W7-W15 HydrophobicContact CZ3-CG 3.58Å; D11-W15 WeakPolarHBondContact O-CB 3.45Å; D11-W15 PolarHBondContact O-N 3.21Å; V12-W15 PolarHBondContact O-N 2.9Å; S13-W15 VanDerWaalsContact C-N 3.33Å; W15-S17 VanDerWaalsContact C-N 3.25Å; W15-S17 PolarHBondContact O-N 3.45Å; W15-K18 WeakPolarHBondContact O-CB 3.19Å; W15-K18 PolarHBondContact O-N 3.04Å; W15-K18 VanDerWaalsContact O-N 3.08Å; W15-E19 HydrophobicContact CD2-CG 4.24Å; W15-E19 HydrophobicContact CZ2-CG 3.95Å; W15-E19 PolarHBondContact O-N 2.95Å; W15-M21 HydrophobicContact CH2-CE 4.26Å; W15-M21 HydrophobicContact CZ3-CE 4.44Å; W15-L36 HydrophobicContact CE3-CD2 4.1Å; W15-L36 HydrophobicContact CZ3-CD2 3.97Å; W15-L60 HydrophobicContact CH2-CD1 4.18Å; W15-L60 HydrophobicContact CZ3-CD1 3.97Å; W15-R63 HydrophobicContact CH2-CB 4.03Å; W15-R63 HydrophobicContact CZ2-CB 4.18Å; W15-M64 HydrophobicContact CH2-CG 4.43Å; W15-L67 HydrophobicContact CZ2-CB 4.48Å; W15-L67 HydrophobicContact CZ2-CD1 4.11Å
16L86.8Confident84.8Confident1 Ų159.1 Ų59.11%0.00533%0.326CS..Hα-helixtrans-57.8-40176.2-73.7170.9000111.8V12 S13 S20 M21 L28 L60V12-L16 HydrophobicContact CG1-CD1 4.24Å; V12-L16 WeakPolarHBondContact O-CG 3.42Å; V12-L16 PolarHBondContact O-N 3.31Å; S13-L16 PolarHBondContact O-N 2.99Å; L16-S20 PolarHBondContact O-N 3.49Å; L16-M21 HydrophobicContact CD2-CB 4.43Å; L16-M21 HydrophobicContact CD2-CE 4.34Å; L16-M21 CarbonylContact O-C 3.48Å; L16-M21 WeakPolarHBondContact O-CA 3.22Å; L16-M21 PolarHBondContact O-N 2.97Å; L16-L28 HydrophobicContact CD1-CB 4.3Å; L16-L28 HydrophobicContact CD1-CD1 4.18Å; L16-L60 HydrophobicContact CD2-CD1 3.77Å
17S85.4Confident84.8Confident63 Ų6356.9 Ų56.944%0.44131%0.307SS..Hα-helixtrans-66-39.8176.3-56.90000112S13 D14 W15 S20S13-S17 PolarHBondContact O-N 3.11Å; S13-S17 VanDerWaalsContact O-N 3.11Å; S13-S17 PolarHBondContact O-OG 2.88Å; D14-S17 PolarHBondContact O-N 3.49Å; W15-S17 VanDerWaalsContact C-N 3.25Å; W15-S17 PolarHBondContact O-N 3.45Å; S17-S20 PolarHBondContact O-N 3.04Å
18K86.8Confident84.7Confident150 Ų15056.3 Ų56.365%0.65231%0.305SS*.Hα-helixtrans-68.3-37.9178-172.7-177.9176.9-171.20112.7D14 W15 S20D14-K18 WeakPolarHBondContact O-CB 3.43Å; D14-K18 PolarHBondContact O-N 3.3Å; W15-K18 WeakPolarHBondContact O-CB 3.19Å; W15-K18 PolarHBondContact O-N 3.04Å; W15-K18 VanDerWaalsContact O-N 3.08Å; K18-S20 PolarHBondContact O-N 3.29Å
19E84.4Confident84.3Confident46 Ų4656.5 Ų56.522%0.21531%0.307CS..THydrogen-bonded Turntrans-81.411177.8-65.5-61.6136.500113.3W15 M21 R63W15-E19 HydrophobicContact CD2-CG 4.24Å; W15-E19 HydrophobicContact CZ2-CG 3.95Å; W15-E19 PolarHBondContact O-N 2.95Å; E19-M21 HydrophobicContact CB-CE 3.75Å; E19-R63 WeakPolarHBondContact OE2-CD 3.41Å; E19-R63 IonicContact OE2-CZ 3.51Å; E19-R63 IonicContact OE2-NE 2.7Å; E19-R63 IonicContact OE2-NH1 3.42Å; E19-R63 PolarHBondContact OE2-NH1 3.06Å
20S85Confident84Confident79 Ų7961.8 Ų61.855%0.55233%0.327SS*.THydrogen-bonded Turntrans59.544.6178.5-51.90000112.9L16 S17 K18 P22 R59L16-S20 PolarHBondContact O-N 3.49Å; S17-S20 PolarHBondContact O-N 3.04Å; K18-S20 PolarHBondContact O-N 3.29Å; S20-P22 VanDerWaalsContact C-CD 3.45Å; S20-R59 PolarHBondContact O-NH2 3.45Å
21M84.6Confident83.9Confident0 Ų055.9 Ų55.90%030%0.304CS..  trans-132.251.1177.4-66.4-174.1-66.300112.7W15 L16 E19 E23 Y24 R59 L60 R63W15-M21 HydrophobicContact CH2-CE 4.26Å; W15-M21 HydrophobicContact CZ3-CE 4.44Å; L16-M21 HydrophobicContact CD2-CB 4.43Å; L16-M21 HydrophobicContact CD2-CE 4.34Å; L16-M21 CarbonylContact O-C 3.48Å; L16-M21 WeakPolarHBondContact O-CA 3.22Å; L16-M21 PolarHBondContact O-N 2.97Å; E19-M21 HydrophobicContact CB-CE 3.75Å; M21-E23 PolarHBondContact O-N 3.11Å; M21-Y24 HydrophobicContact CB-CD2 4.14Å; M21-Y24 PolarHBondContact O-N 3.31Å; M21-R59 HydrophobicContact SD-CG 4.22Å; M21-L60 HydrophobicContact CE-CD1 3.65Å; M21-L60 HydrophobicContact SD-CB 4.19Å; M21-L60 HydrophobicContact SD-CD1 4.06Å; M21-R63 HydrophobicContact CE-CB 3.93Å; M21-R63 HydrophobicContact CE-CG 3.9Å
22P81.9Confident83.9Confident78 Ų7856.3 Ų56.351%0.50631%0.306SS..THydrogen-bonded Turntrans-65.1-19.4-178.830.2-37.8000113.8S20 Y24 T25S20-P22 VanDerWaalsContact C-CD 3.45Å; P22-Y24 PolarHBondContact O-N 3.49Å; P22-T25 VanDerWaalsContact O-CB 3.24Å; P22-T25 WeakPolarHBondContact O-CB 3.43Å; P22-T25 PolarHBondContact O-N 3.5Å; P22-T25 VanDerWaalsContact O-N 3.07Å; P22-T25 PolarHBondContact O-OG1 2.85Å
23E82.7Confident83.8Confident78 Ų7856.3 Ų56.336%0.36431%0.306SS..Hα-helixtrans-59.1-30.2177.955.3-84.8-170.200112.9M21 V52M21-E23 PolarHBondContact O-N 3.11Å; E23-V52 HydrophobicContact CB-CG1 3.9Å; E23-V52 HydrophobicContact CG-CG1 3.95Å; E23-V52 VanDerWaalsContact O-CG1 3.29Å; E23-V52 WeakPolarHBondContact O-CG1 3.43Å
24Y82.9Confident83.7Confident2 Ų256.3 Ų56.31%0.00831%0.305CS..Hα-helixtrans-83.6-12.5178.1-67.8-82.4000113.5M21 P22 H26 A27 L28 F44 L49 V52 S53 L60M21-Y24 HydrophobicContact CB-CD2 4.14Å; M21-Y24 PolarHBondContact O-N 3.31Å; P22-Y24 PolarHBondContact O-N 3.49Å; Y24-H26 VanDerWaalsContact C-N 3.31Å; Y24-H26 PolarHBondContact O-N 3.07Å; Y24-A27 PolarHBondContact O-N 2.89Å; Y24-L28 WeakPolarHBondContact O-CB 3.37Å; Y24-L28 PolarHBondContact O-N 3.23Å; Y24-F44 HydrophobicContact CE1-CD1 4.48Å; Y24-F44 AromaticContact CE1-CE1 3.91Å; Y24-F44 HydrophobicContact CE1-CE1 3.91Å; Y24-L49 HydrophobicContact CD1-CD2 3.97Å; Y24-L49 HydrophobicContact CE1-CD2 4.38Å; Y24-V52 HydrophobicContact CD1-CB 3.99Å; Y24-V52 HydrophobicContact CD1-CG1 3.5Å; Y24-V52 VanDerWaalsContact CD1-CG1 3.5Å; Y24-V52 HydrophobicContact CD1-CG2 4.31Å; Y24-V52 HydrophobicContact CD2-CG1 4.14Å; Y24-V52 HydrophobicContact CE1-CB 3.74Å; Y24-V52 HydrophobicContact CE1-CG1 3.55Å; Y24-V52 HydrophobicContact CE1-CG2 4.42Å; Y24-V52 HydrophobicContact CE2-CG1 4.2Å; Y24-V52 HydrophobicContact CG-CG1 3.81Å; Y24-S53 WeakPolarHBondContact OH-CB 3.28Å; Y24-L60 HydrophobicContact CD1-CD2 3.64Å; Y24-L60 HydrophobicContact CD2-CD2 4.17Å; Y24-L60 HydrophobicContact CE1-CD2 3.94Å; Y24-L60 HydrophobicContact CE2-CB 4.31Å; Y24-L60 HydrophobicContact CE2-CD2 4.43Å; Y24-L60 HydrophobicContact CG-CD2 3.77Å
25T80.7Confident83.6Confident32 Ų3253.2 Ų53.220%0.19629%0.292CS..Hα-helixtrans-61.8-37.2-174.8-58.60000112.7S13 P22 S29S13-T25 WeakPolarHBondContact OG-CG2 3.48Å; P22-T25 VanDerWaalsContact O-CB 3.24Å; P22-T25 WeakPolarHBondContact O-CB 3.43Å; P22-T25 PolarHBondContact O-N 3.5Å; P22-T25 VanDerWaalsContact O-N 3.07Å; P22-T25 PolarHBondContact O-OG1 2.85Å; T25-S29 WeakPolarHBondContact O-CA 3.46Å; T25-S29 WeakPolarHBondContact O-CB 3.46Å; T25-S29 PolarHBondContact O-N 3.41Å
26H80.3Confident83.5Confident166 Ų16652.5 Ų52.577%0.76929%0.289SS*.Hα-helixtrans-73.4-41.5177.5-172.7-91.2000111.8Y24 S29Y24-H26 VanDerWaalsContact C-N 3.31Å; Y24-H26 PolarHBondContact O-N 3.07Å; H26-S29 WeakPolarHBondContact O-CB 3.02Å; H26-S29 PolarHBondContact O-OG 3.14Å
27A81.5Confident83.3Confident25 Ų2554.6 Ų54.621%0.20730%0.3CS..Hα-helixtrans-70.7-30.8-17900000113.2Y24 P48 L49 V52Y24-A27 PolarHBondContact O-N 2.89Å; A27-P48 HydrophobicContact CB-CB 4.3Å; A27-P48 HydrophobicContact CB-CG 4.39Å; A27-L49 HydrophobicContact CB-CD2 4.04Å; A27-V52 HydrophobicContact CB-CG2 3.69Å
28L84.2Confident83.2Confident8 Ų859.4 Ų59.44%0.04231%0.309CS..THydrogen-bonded Turntrans-106.821.4179.8-63.2176.9000113L16 Y24 Q30 T31 L36 L39 L49 L60L16-L28 HydrophobicContact CD1-CB 4.3Å; L16-L28 HydrophobicContact CD1-CD1 4.18Å; Y24-L28 WeakPolarHBondContact O-CB 3.37Å; Y24-L28 PolarHBondContact O-N 3.23Å; L28-Q30 PolarHBondContact O-N 3.18Å; L28-Q30 VanDerWaalsContact O-N 3.09Å; L28-T31 HydrophobicContact CD2-CG2 4.33Å; L28-T31 WeakPolarHBondContact CD2-OG1 3.45Å; L28-T31 WeakPolarHBondContact O-CB 3.39Å; L28-T31 PolarHBondContact O-N 2.69Å; L28-T31 PolarHBondContact O-OG1 2.97Å; L28-L36 HydrophobicContact CD1-CD1 4.1Å; L28-L39 HydrophobicContact CD1-CD1 4.26Å; L28-L39 HydrophobicContact CD2-CD1 3.85Å; L28-L49 HydrophobicContact CD1-CD2 4.47Å; L28-L49 HydrophobicContact CD2-CD1 4.35Å; L28-L49 HydrophobicContact CD2-CD2 3.88Å; L28-L49 HydrophobicContact CG-CD2 4.03Å; L28-L60 HydrophobicContact CD1-CD2 3.94Å
29S79.3Confident83.1Confident59 Ų5953.7 Ų53.741%0.41329%0.285SS..THydrogen-bonded Turntrans-61-21.1-175.754.40000114.7T25 H26T25-S29 WeakPolarHBondContact O-CA 3.46Å; T25-S29 WeakPolarHBondContact O-CB 3.46Å; T25-S29 PolarHBondContact O-N 3.41Å; H26-S29 WeakPolarHBondContact O-CB 3.02Å; H26-S29 PolarHBondContact O-OG 3.14Å
30Q81.7Confident83Confident169 Ų16954.9 Ų54.979%0.7930%0.296SS*.THydrogen-bonded Turntrans-109.710.8178.8-61.8-62.6-29.500113L28L28-Q30 PolarHBondContact O-N 3.18Å; L28-Q30 VanDerWaalsContact O-N 3.09Å
31T83.1Confident82.9Confident22 Ų2256.8 Ų56.814%0.13530%0.296CS..  trans-95.2120.8-174.5-52.10000110V12 L28 A35 L36V12-T31 WeakPolarHBondContact CG2-O 3.37Å; L28-T31 HydrophobicContact CD2-CG2 4.33Å; L28-T31 WeakPolarHBondContact CD2-OG1 3.45Å; L28-T31 WeakPolarHBondContact O-CB 3.39Å; L28-T31 PolarHBondContact O-N 2.69Å; L28-T31 PolarHBondContact O-OG1 2.97Å; T31-A35 HydrophobicContact CG2-CB 3.65Å; T31-L36 HydrophobicContact CG2-CB 4.14Å
32D86.4Confident82.7Confident64 Ų6459.5 Ų59.534%0.34232%0.319SS..  trans-84.1169.3171.464.410.4000111.3A35 L36D32-A35 PolarHBondContact O-N 3.48Å; D32-A35 VanDerWaalsContact O-N 3.11Å; D32-A35 WeakPolarHBondContact OD1-CB 3.29Å; D32-A35 PolarHBondContact OD1-N 3.49Å; D32-L36 PolarHBondContact O-N 3.32Å
33G83.6Confident82.7Confident0 Ų058.9 Ų58.90%031%0.311CS..Hα-helixtrans-55.8-43.6-178.800000114.8V4 W7 A35 L36 L37V4-G33 WeakPolarHBondContact O-CA 3.41Å; W7-G33 PolarHBondContact O-N 2.86Å; W7-G33 VanDerWaalsContact O-N 3.16Å; G33-A35 PolarHBondContact O-N 3.49Å; G33-L36 WeakPolarHBondContact O-CB 3.48Å; G33-L36 PolarHBondContact O-N 3.11Å; G33-L37 WeakPolarHBondContact O-CG 3.48Å; G33-L37 PolarHBondContact O-N 3.38Å
34P82.9Confident82.7Confident35 Ų3555.6 Ų55.623%0.22730%0.295CS..Hα-helixtrans-61-39172.7-25.534.2000114.1A5 R38A5-P34 WeakPolarHBondContact O-CG 3.24Å; P34-R38 WeakPolarHBondContact O-CG 3.32Å; P34-R38 PolarHBondContact O-N 3.5Å
35A83.3Confident82.5Confident25 Ų2562.2 Ų62.221%0.20732%0.324CS..Hα-helixtrans-71.1-34.7176.100000112T31 D32 G33 R38T31-A35 HydrophobicContact CG2-CB 3.65Å; D32-A35 PolarHBondContact O-N 3.48Å; D32-A35 VanDerWaalsContact O-N 3.11Å; D32-A35 WeakPolarHBondContact OD1-CB 3.29Å; D32-A35 PolarHBondContact OD1-N 3.49Å; G33-A35 PolarHBondContact O-N 3.49Å; A35-R38 PolarHBondContact O-N 2.91Å
36L85.4Confident82.4Confident0 Ų065 Ų650%034%0.341CS..Hα-helixtrans-59.3-49.8173.4-176.870.8000110V12 W15 L28 T31 D32 G33 R38 L39 M64 L67V12-L36 HydrophobicContact CG1-CD1 4.35Å; V12-L36 HydrophobicContact CG1-CD2 4.16Å; V12-L36 HydrophobicContact CG2-CD2 4.41Å; W15-L36 HydrophobicContact CE3-CD2 4.1Å; W15-L36 HydrophobicContact CZ3-CD2 3.97Å; L28-L36 HydrophobicContact CD1-CD1 4.1Å; T31-L36 HydrophobicContact CG2-CB 4.14Å; D32-L36 PolarHBondContact O-N 3.32Å; G33-L36 WeakPolarHBondContact O-CB 3.48Å; G33-L36 PolarHBondContact O-N 3.11Å; L36-R38 PolarHBondContact O-N 3.25Å; L36-R38 VanDerWaalsContact O-N 3.11Å; L36-L39 HydrophobicContact CD1-CD1 4.1Å; L36-L39 PolarHBondContact O-N 3.38Å; L36-L39 VanDerWaalsContact O-N 3.14Å; L36-M64 HydrophobicContact CD1-CG 4.48Å; L36-M64 HydrophobicContact CD1-SD 4.1Å; L36-M64 HydrophobicContact CG-CG 4.42Å; L36-M64 HydrophobicContact CG-SD 4.37Å; L36-M64 WeakPolarHBondContact O-CE 2.86Å; L36-L67 HydrophobicContact CD2-CD2 4.24Å
37L83.7Confident82.1Confident46 Ų4660.6 Ų60.624%0.24133%0.327CS..THydrogen-bonded Turntrans-65-13.4179.1-69.9175000114.8V4 G33 L67 R68V4-L37 HydrophobicContact CB-CD1 4.15Å; V4-L37 HydrophobicContact CG1-CD1 3.69Å; V4-L37 HydrophobicContact CG1-CD2 4.29Å; V4-L37 HydrophobicContact CG1-CG 3.87Å; G33-L37 WeakPolarHBondContact O-CG 3.48Å; G33-L37 PolarHBondContact O-N 3.38Å; L37-L67 HydrophobicContact CD2-CD2 4.24Å; L37-R68 HydrophobicContact CD2-CB 4.3Å
38R83.9Confident81.7Confident163 Ų16363.3 Ų63.362%0.61534%0.342SS*.THydrogen-bonded Turntrans-93.4-8.4177.4-75.2-172.2-61.8-101.30.3113.7P34 A35 L36P34-R38 WeakPolarHBondContact O-CG 3.32Å; P34-R38 PolarHBondContact O-N 3.5Å; A35-R38 PolarHBondContact O-N 2.91Å; L36-R38 PolarHBondContact O-N 3.25Å; L36-R38 VanDerWaalsContact O-N 3.11Å
39L84.4Confident81.4Confident31 Ų3163.5 Ų63.516%0.16234%0.343CS..  trans-65.9137.2177.7-60.9169.8000110.2L28 L36 D43 F44 L49 M64L28-L39 HydrophobicContact CD1-CD1 4.26Å; L28-L39 HydrophobicContact CD2-CD1 3.85Å; L36-L39 HydrophobicContact CD1-CD1 4.1Å; L36-L39 PolarHBondContact O-N 3.38Å; L36-L39 VanDerWaalsContact O-N 3.14Å; L39-D43 HydrophobicContact CD2-CB 4.12Å; L39-F44 HydrophobicContact CB-CE2 4.44Å; L39-L49 HydrophobicContact CD1-CD1 4.42Å; L39-L49 HydrophobicContact CD2-CD1 4.1Å; L39-M64 HydrophobicContact CB-CE 3.92Å; L39-M64 HydrophobicContact CB-SD 4.28Å; L39-M64 HydrophobicContact CD1-SD 4.3Å
40T82Confident81.2Confident71 Ų7163 Ų6344%0.43634%0.34SS..  trans-123.2167.3-179.462.90000110.1A42 D43 F44T40-A42 PolarHBondContact O-N 3.23Å; T40-D43 PolarHBondContact N-OD2 3.41Å; T40-D43 WeakPolarHBondContact O-CB 3.3Å; T40-D43 PolarHBondContact O-N 3.14Å; T40-D43 PolarHBondContact OG1-OD2 3.25Å; T40-F44 WeakPolarHBondContact O-CD2 3.46Å
41E81.5Confident80.7Confident118 Ų11865 Ų6555%0.55134%0.341SS*.THydrogen-bonded Turntrans-55.4-27.2176.1-161.7-157.9129.600113D43 F44 K45 L61E41-D43 VanDerWaalsContact C-N 3.31Å; E41-D43 PolarHBondContact O-N 2.89Å; E41-F44 PolarHBondContact O-N 2.93Å; E41-K45 WeakPolarHBondContact OE1-CE 3.22Å; E41-K45 IonicContact OE1-NZ 3.64Å; E41-K45 PolarHBondContact OE1-NZ 3.21Å; E41-L61 HydrophobicContact CB-CD1 4.29Å; E41-L61 HydrophobicContact CG-CD1 4.29Å
42A80.8Confident80.4Confident58 Ų5865.7 Ų65.748%0.47935%0.345SS..THydrogen-bonded Turntrans-65.9-33.1176.400000112.7T40 F44 K45T40-A42 PolarHBondContact O-N 3.23Å; A42-F44 VanDerWaalsContact C-N 3.27Å; A42-F44 PolarHBondContact O-N 3.08Å; A42-K45 WeakPolarHBondContact O-CB 3.38Å; A42-K45 PolarHBondContact O-N 3.07Å; A42-K45 VanDerWaalsContact O-N 3.13Å
43D82Confident79.8Confident64 Ų6463.9 Ų63.934%0.34234%0.337SS..G310 helixtrans-70.9-25.6-177.8-59.6-57.7000111.9L39 T40 E41 K45 V46 L49L39-D43 HydrophobicContact CD2-CB 4.12Å; T40-D43 PolarHBondContact N-OD2 3.41Å; T40-D43 WeakPolarHBondContact O-CB 3.3Å; T40-D43 PolarHBondContact O-N 3.14Å; T40-D43 PolarHBondContact OG1-OD2 3.25Å; E41-D43 VanDerWaalsContact C-N 3.31Å; E41-D43 PolarHBondContact O-N 2.89Å; D43-K45 VanDerWaalsContact C-N 3.26Å; D43-K45 PolarHBondContact O-N 3.33Å; D43-V46 PolarHBondContact O-N 3.14Å; D43-L49 HydrophobicContact CB-CD1 4.26Å
44F82.8Confident79.2Confident10 Ų1070.6 Ų70.64%0.04438%0.381CS..G310 helixtrans-78.6-7.6174.6-67.1-88.8000113.5Y24 L39 T40 E41 A42 L49 S50 G56 G57 L60 L61Y24-F44 HydrophobicContact CE1-CD1 4.48Å; Y24-F44 AromaticContact CE1-CE1 3.91Å; Y24-F44 HydrophobicContact CE1-CE1 3.91Å; L39-F44 HydrophobicContact CB-CE2 4.44Å; T40-F44 WeakPolarHBondContact O-CD2 3.46Å; E41-F44 PolarHBondContact O-N 2.93Å; A42-F44 VanDerWaalsContact C-N 3.27Å; A42-F44 PolarHBondContact O-N 3.08Å; F44-L49 HydrophobicContact CD1-CB 4.01Å; F44-L49 HydrophobicContact CD1-CD1 4.47Å; F44-L49 HydrophobicContact CE1-CB 4.44Å; F44-L49 HydrophobicContact CE1-CD1 4.35Å; F44-L49 HydrophobicContact CE1-CD2 4.43Å; F44-L49 HydrophobicContact CZ-CD1 4.47Å; F44-S50 WeakPolarHBondContact O-CA 3.16Å; F44-S50 VanDerWaalsContact O-CB 3.22Å; F44-S50 WeakPolarHBondContact O-CB 3.44Å; F44-G56 WeakPolarHBondContact CB-O 3.33Å; F44-G57 VanDerWaalsContact CD1-CA 3.48Å; F44-L60 HydrophobicContact CE1-CB 4.36Å; F44-L60 HydrophobicContact CE1-CD2 3.89Å; F44-L60 HydrophobicContact CE1-CG 4.49Å; F44-L60 HydrophobicContact CZ-CB 4.26Å; F44-L60 HydrophobicContact CZ-CD2 3.76Å; F44-L60 HydrophobicContact CZ-CG 4.12Å; F44-L61 HydrophobicContact CD2-CD1 4.11Å; F44-L61 HydrophobicContact CD2-CD2 4.21Å; F44-L61 HydrophobicContact CD2-CG 4.17Å; F44-L61 HydrophobicContact CE2-CD1 4.2Å; F44-L61 HydrophobicContact CE2-CD2 3.62Å; F44-L61 HydrophobicContact CE2-CG 3.73Å; F44-L61 HydrophobicContact CZ-CD2 4.43Å; F44-L61 HydrophobicContact CZ-CG 4.28Å
45K78.9Confident78.8Confident141 Ų14171.6 Ų71.661%0.61338%0.384SS*.G310 helixtrans-90.4-10.2175-63.1175.4-174.1169.90112.3E41 A42 D43E41-K45 WeakPolarHBondContact OE1-CE 3.22Å; E41-K45 IonicContact OE1-NZ 3.64Å; E41-K45 PolarHBondContact OE1-NZ 3.21Å; A42-K45 WeakPolarHBondContact O-CB 3.38Å; A42-K45 PolarHBondContact O-N 3.07Å; A42-K45 VanDerWaalsContact O-N 3.13Å; D43-K45 VanDerWaalsContact C-N 3.26Å; D43-K45 PolarHBondContact O-N 3.33Å
46V78.9Confident78.2Confident89 Ų8972.6 Ų72.654%0.53940%0.397SS..SBendtrans-117.6144.8-176.8-1720000110.2D43 L49 S50D43-V46 PolarHBondContact O-N 3.14Å; V46-L49 PolarHBondContact O-N 3.11Å; V46-S50 PolarHBondContact O-N 3.24Å; V46-S50 VanDerWaalsContact O-N 3.16Å
47P74.4Confident77.8Confident75 Ų7572.6 Ų72.649%0.48740%0.397SS..THydrogen-bonded Turntrans-62143.7172.1-20.432.7000111
48P72.3Confident77.7Confident81 Ų8177.6 Ų77.653%0.52642%0.419SS..THydrogen-bonded Turncis-87.5-15.814.232.8-35.1000115.3A27 S50 R51 V52A27-P48 HydrophobicContact CB-CB 4.3Å; A27-P48 HydrophobicContact CB-CG 4.39Å; P48-S50 PolarHBondContact O-N 2.87Å; P48-R51 PolarHBondContact O-N 3.39Å; P48-V52 WeakPolarHBondContact O-CG2 3.47Å
49L77.6Confident77.6Confident12 Ų1274.7 Ų74.76%0.06341%0.408CS..G310 helixtrans-72.4-29.6-170.1-67.9172.6000113.8Y24 A27 L28 L39 D43 F44 V46 R51 V52Y24-L49 HydrophobicContact CD1-CD2 3.97Å; Y24-L49 HydrophobicContact CE1-CD2 4.38Å; A27-L49 HydrophobicContact CB-CD2 4.04Å; L28-L49 HydrophobicContact CD1-CD2 4.47Å; L28-L49 HydrophobicContact CD2-CD1 4.35Å; L28-L49 HydrophobicContact CD2-CD2 3.88Å; L28-L49 HydrophobicContact CG-CD2 4.03Å; L39-L49 HydrophobicContact CD1-CD1 4.42Å; L39-L49 HydrophobicContact CD2-CD1 4.1Å; D43-L49 HydrophobicContact CB-CD1 4.26Å; F44-L49 HydrophobicContact CD1-CB 4.01Å; F44-L49 HydrophobicContact CD1-CD1 4.47Å; F44-L49 HydrophobicContact CE1-CB 4.44Å; F44-L49 HydrophobicContact CE1-CD1 4.35Å; F44-L49 HydrophobicContact CE1-CD2 4.43Å; F44-L49 HydrophobicContact CZ-CD1 4.47Å; V46-L49 PolarHBondContact O-N 3.11Å; L49-R51 PolarHBondContact O-N 3.47Å; L49-V52 PolarHBondContact O-N 3.03Å
50S75.3Confident77.6Confident50 Ų5073.2 Ų73.235%0.3540%0.4SS..G310 helixtrans-64.2-12.2178.366.40000115.5F44 V46 P48F44-S50 WeakPolarHBondContact O-CA 3.16Å; F44-S50 VanDerWaalsContact O-CB 3.22Å; F44-S50 WeakPolarHBondContact O-CB 3.44Å; V46-S50 PolarHBondContact O-N 3.24Å; V46-S50 VanDerWaalsContact O-N 3.16Å; P48-S50 PolarHBondContact O-N 2.87Å
51R72.1Confident77.7Confident211 Ų21171.8 Ų71.880%0.79639%0.39SS*.G310 helixtrans-108.4-0.4-178-62.5-176.1179175.4-0.3113.7P48 L49P48-R51 PolarHBondContact O-N 3.39Å; L49-R51 PolarHBondContact O-N 3.47Å
52V76.1Confident77.9Confident36 Ų3672 Ų7222%0.21839%0.391CS..THydrogen-bonded Turntrans-83.5-38.8-170.4-179.60000112E23 Y24 A27 P48 L49E23-V52 HydrophobicContact CB-CG1 3.9Å; E23-V52 HydrophobicContact CG-CG1 3.95Å; E23-V52 VanDerWaalsContact O-CG1 3.29Å; E23-V52 WeakPolarHBondContact O-CG1 3.43Å; Y24-V52 HydrophobicContact CD1-CB 3.99Å; Y24-V52 HydrophobicContact CD1-CG1 3.5Å; Y24-V52 VanDerWaalsContact CD1-CG1 3.5Å; Y24-V52 HydrophobicContact CD1-CG2 4.31Å; Y24-V52 HydrophobicContact CD2-CG1 4.14Å; Y24-V52 HydrophobicContact CE1-CB 3.74Å; Y24-V52 HydrophobicContact CE1-CG1 3.55Å; Y24-V52 HydrophobicContact CE1-CG2 4.42Å; Y24-V52 HydrophobicContact CE2-CG1 4.2Å; Y24-V52 HydrophobicContact CG-CG1 3.81Å; A27-V52 HydrophobicContact CB-CG2 3.69Å; P48-V52 WeakPolarHBondContact O-CG2 3.47Å; L49-V52 PolarHBondContact O-N 3.03Å
53S73.2Confident78.1Confident26 Ų2673.9 Ų73.918%0.18239%0.386CS..  trans-146.7144-175.7-179.40000111.8Y24 D55Y24-S53 WeakPolarHBondContact OH-CB 3.28Å; S53-D55 WeakPolarHBondContact CB-OD1 3.28Å; S53-D55 PolarHBondContact O-N 3.28Å; S53-D55 PolarHBondContact OG-N 3.48Å; S53-D55 PolarHBondContact OG-OD1 3.38Å
54P70.9Confident78.2Confident141 Ų14171.4 Ų71.492%0.91637%0.372SS*.THydrogen-bonded Turntrans-70.8-11.1177.429.3-35.7000113.9G56P54-G56 VanDerWaalsContact C-N 3.26Å; P54-G56 PolarHBondContact O-N 3.01Å
55D75.9Confident78.2Confident55 Ų5575.8 Ų75.829%0.29439%0.393SS..THydrogen-bonded Turntrans-82.23.9178.271-12000113.8S53 G57 E58 R59S53-D55 WeakPolarHBondContact CB-OD1 3.28Å; S53-D55 PolarHBondContact O-N 3.28Å; S53-D55 PolarHBondContact OG-N 3.48Å; S53-D55 PolarHBondContact OG-OD1 3.38Å; D55-G57 PolarHBondContact O-N 3.11Å; D55-G57 VanDerWaalsContact O-N 3.13Å; D55-G57 PolarHBondContact OD1-N 2.69Å; D55-G57 VanDerWaalsContact OD1-N 3.09Å; D55-E58 PolarHBondContact O-N 3.31Å; D55-R59 VanDerWaalsContact OD2-CB 3.31Å; D55-R59 WeakPolarHBondContact OD2-CB 3.45Å
56G70.8Confident78.5Confident46 Ų4672.3 Ų72.347%0.47438%0.38SS..THydrogen-bonded Turntrans64.416.8179.300000114.3F44 P54F44-G56 WeakPolarHBondContact CB-O 3.33Å; P54-G56 VanDerWaalsContact C-N 3.26Å; P54-G56 PolarHBondContact O-N 3.01Å
57G76.9Confident78.7Confident1 Ų168.3 Ų68.31%0.0136%0.356CS..THydrogen-bonded Turntrans86.43.9178.400000115.7F44 D55 R59 L60 L61F44-G57 VanDerWaalsContact CD1-CA 3.48Å; D55-G57 PolarHBondContact O-N 3.11Å; D55-G57 VanDerWaalsContact O-N 3.13Å; D55-G57 PolarHBondContact OD1-N 2.69Å; D55-G57 VanDerWaalsContact OD1-N 3.09Å; G57-R59 VanDerWaalsContact C-N 3.28Å; G57-R59 PolarHBondContact O-N 3.06Å; G57-L60 PolarHBondContact O-N 3.37Å; G57-L60 VanDerWaalsContact O-N 3.1Å; G57-L61 WeakPolarHBondContact O-CG 3.39Å; G57-L61 PolarHBondContact O-N 3.25Å
58E80.3Confident79.1Confident150 Ų15071.8 Ų71.870%0.70136%0.359SS*.Hα-helixtrans-54.4-42.8-178.2-73.9-170.716600112.6D55 L60 L61 E62D55-E58 PolarHBondContact O-N 3.31Å; E58-L60 VanDerWaalsContact C-N 3.35Å; E58-L60 PolarHBondContact O-N 3.02Å; E58-L61 PolarHBondContact O-N 3.35Å; E58-E62 PolarHBondContact O-N 3.41Å
59R83.3Confident79.5Confident103 Ų10372.1 Ų72.139%0.38936%0.356SS..Hα-helixtrans-65.8-36-179.8-172.9175.3169.4-150.5-13.1112.9S20 M21 D55 G57 R63S20-R59 PolarHBondContact O-NH2 3.45Å; M21-R59 HydrophobicContact SD-CG 4.22Å; D55-R59 VanDerWaalsContact OD2-CB 3.31Å; D55-R59 WeakPolarHBondContact OD2-CB 3.45Å; G57-R59 VanDerWaalsContact C-N 3.28Å; G57-R59 PolarHBondContact O-N 3.06Å; R59-R63 VanDerWaalsContact O-CG 3.28Å; R59-R63 WeakPolarHBondContact O-CG 3.47Å; R59-R63 PolarHBondContact O-N 3.27Å
60L83.8Confident79.5Confident0 Ų075.9 Ų75.90%037%0.373CS..Hα-helixtrans-73.7-40.5177.1-179.356.9000110.7W15 L16 M21 Y24 L28 F44 G57 E58 R63 M64W15-L60 HydrophobicContact CH2-CD1 4.18Å; W15-L60 HydrophobicContact CZ3-CD1 3.97Å; L16-L60 HydrophobicContact CD2-CD1 3.77Å; M21-L60 HydrophobicContact CE-CD1 3.65Å; M21-L60 HydrophobicContact SD-CB 4.19Å; M21-L60 HydrophobicContact SD-CD1 4.06Å; Y24-L60 HydrophobicContact CD1-CD2 3.64Å; Y24-L60 HydrophobicContact CD2-CD2 4.17Å; Y24-L60 HydrophobicContact CE1-CD2 3.94Å; Y24-L60 HydrophobicContact CE2-CB 4.31Å; Y24-L60 HydrophobicContact CE2-CD2 4.43Å; Y24-L60 HydrophobicContact CG-CD2 3.77Å; L28-L60 HydrophobicContact CD1-CD2 3.94Å; F44-L60 HydrophobicContact CE1-CB 4.36Å; F44-L60 HydrophobicContact CE1-CD2 3.89Å; F44-L60 HydrophobicContact CE1-CG 4.49Å; F44-L60 HydrophobicContact CZ-CB 4.26Å; F44-L60 HydrophobicContact CZ-CD2 3.76Å; F44-L60 HydrophobicContact CZ-CG 4.12Å; G57-L60 PolarHBondContact O-N 3.37Å; G57-L60 VanDerWaalsContact O-N 3.1Å; E58-L60 VanDerWaalsContact C-N 3.35Å; E58-L60 PolarHBondContact O-N 3.02Å; L60-R63 PolarHBondContact O-N 3.15Å; L60-M64 HydrophobicContact CD1-CG 4.31Å; L60-M64 HydrophobicContact CG-CG 4.48Å; L60-M64 HydrophobicContact CG-SD 4.19Å; L60-M64 WeakPolarHBondContact O-CB 3.46Å; L60-M64 VanDerWaalsContact O-CG 3.28Å; L60-M64 WeakPolarHBondContact O-CG 3.49Å; L60-M64 PolarHBondContact O-N 3.44Å
61L84.9Confident79.4Confident41 Ų4174.4 Ų74.422%0.21536%0.362CS..Hα-helixtrans-61.3-43.6175.7-73.8169.4000112.1E41 F44 G57 E58 R63 M64 E65E41-L61 HydrophobicContact CB-CD1 4.29Å; E41-L61 HydrophobicContact CG-CD1 4.29Å; F44-L61 HydrophobicContact CD2-CD1 4.11Å; F44-L61 HydrophobicContact CD2-CD2 4.21Å; F44-L61 HydrophobicContact CD2-CG 4.17Å; F44-L61 HydrophobicContact CE2-CD1 4.2Å; F44-L61 HydrophobicContact CE2-CD2 3.62Å; F44-L61 HydrophobicContact CE2-CG 3.73Å; F44-L61 HydrophobicContact CZ-CD2 4.43Å; F44-L61 HydrophobicContact CZ-CG 4.28Å; G57-L61 WeakPolarHBondContact O-CG 3.39Å; G57-L61 PolarHBondContact O-N 3.25Å; E58-L61 PolarHBondContact O-N 3.35Å; L61-R63 VanDerWaalsContact C-N 3.34Å; L61-R63 PolarHBondContact O-N 3.15Å; L61-M64 PolarHBondContact O-N 3.47Å; L61-E65 PolarHBondContact O-N 3.48Å
62E85.2Confident79.5Confident123 Ų12369.9 Ų69.958%0.57535%0.35SS*.Hα-helixtrans-59.7-45175.5-174-174.3-154.300111.4E58 E65 I66E58-E62 PolarHBondContact O-N 3.41Å; E62-E65 PolarHBondContact O-N 3.16Å; E62-I66 WeakPolarHBondContact O-CG1 3.48Å; E62-I66 PolarHBondContact O-N 3.09Å; E62-I66 VanDerWaalsContact O-N 3.15Å
63R84.3Confident79.3Confident96 Ų9673.1 Ų73.136%0.36237%0.365SS..Hα-helixtrans-67.7-36179.3-70.9-74168.9171.9-7.7112.7W15 E19 M21 R59 L60 L61 I66 L67W15-R63 HydrophobicContact CH2-CB 4.03Å; W15-R63 HydrophobicContact CZ2-CB 4.18Å; E19-R63 WeakPolarHBondContact OE2-CD 3.41Å; E19-R63 IonicContact OE2-CZ 3.51Å; E19-R63 IonicContact OE2-NE 2.7Å; E19-R63 IonicContact OE2-NH1 3.42Å; E19-R63 PolarHBondContact OE2-NH1 3.06Å; M21-R63 HydrophobicContact CE-CB 3.93Å; M21-R63 HydrophobicContact CE-CG 3.9Å; R59-R63 VanDerWaalsContact O-CG 3.28Å; R59-R63 WeakPolarHBondContact O-CG 3.47Å; R59-R63 PolarHBondContact O-N 3.27Å; L60-R63 PolarHBondContact O-N 3.15Å; L61-R63 VanDerWaalsContact C-N 3.34Å; L61-R63 PolarHBondContact O-N 3.15Å; R63-I66 PolarHBondContact O-N 2.93Å; R63-L67 WeakPolarHBondContact O-CB 3.45Å; R63-L67 PolarHBondContact O-N 3.23Å
64M84.5Confident79Confident12 Ų1275.3 Ų75.36%0.05937%0.372CS..Hα-helixtrans-66.7-36.1173.4-75.8177.842.800112.5W15 L36 L39 L60 L61 L67 R68W15-M64 HydrophobicContact CH2-CG 4.43Å; L36-M64 HydrophobicContact CD1-CG 4.48Å; L36-M64 HydrophobicContact CD1-SD 4.1Å; L36-M64 HydrophobicContact CG-CG 4.42Å; L36-M64 HydrophobicContact CG-SD 4.37Å; L36-M64 WeakPolarHBondContact O-CE 2.86Å; L39-M64 HydrophobicContact CB-CE 3.92Å; L39-M64 HydrophobicContact CB-SD 4.28Å; L39-M64 HydrophobicContact CD1-SD 4.3Å; L60-M64 HydrophobicContact CD1-CG 4.31Å; L60-M64 HydrophobicContact CG-CG 4.48Å; L60-M64 HydrophobicContact CG-SD 4.19Å; L60-M64 WeakPolarHBondContact O-CB 3.46Å; L60-M64 VanDerWaalsContact O-CG 3.28Å; L60-M64 WeakPolarHBondContact O-CG 3.49Å; L60-M64 PolarHBondContact O-N 3.44Å; L61-M64 PolarHBondContact O-N 3.47Å; M64-L67 WeakPolarHBondContact O-CB 3.18Å; M64-L67 PolarHBondContact O-N 3.39Å; M64-R68 WeakPolarHBondContact O-CB 3.31Å; M64-R68 PolarHBondContact O-N 3.13Å
65E83.1Confident78.5Confident102 Ų10272.7 Ų72.748%0.47735%0.35SS..Hα-helixtrans-66.3-41.2176.8-172.361.6-165.700111.2L61 E62 L67 R68 I69L61-E65 PolarHBondContact O-N 3.48Å; E62-E65 PolarHBondContact O-N 3.16Å; E65-L67 VanDerWaalsContact C-N 3.32Å; E65-L67 PolarHBondContact O-N 3.44Å; E65-R68 WeakPolarHBondContact O-CB 3.37Å; E65-R68 PolarHBondContact O-N 3.29Å; E65-I69 HydrophobicContact CG-CD1 4.35Å; E65-I69 WeakPolarHBondContact O-CG1 3.32Å; E65-I69 PolarHBondContact O-N 3.3Å
66I84.9Confident77.8Confident69 Ų6975.8 Ų75.835%0.35436%0.363SS..Hα-helixtrans-59.1-46.1171.8-64.9167.9000110.4E62 R63 R68 I69 E70E62-I66 WeakPolarHBondContact O-CG1 3.48Å; E62-I66 PolarHBondContact O-N 3.09Å; E62-I66 VanDerWaalsContact O-N 3.15Å; R63-I66 PolarHBondContact O-N 2.93Å; I66-R68 VanDerWaalsContact C-N 3.3Å; I66-R68 PolarHBondContact O-N 3.34Å; I66-I69 PolarHBondContact O-N 3.47Å; I66-E70 WeakPolarHBondContact O-CG 3.05Å; I66-E70 PolarHBondContact O-N 3.01Å
67L83.1Confident77.1Confident5 Ų581.3 Ų81.33%0.02637%0.374CS..Hα-helixtrans-59.9-40.8178.1-163.884.9000111.9V4 W7 W15 L36 L37 R63 M64 E65 E70 T71V4-L67 HydrophobicContact CB-CD2 4.34Å; V4-L67 HydrophobicContact CG1-CD2 3.67Å; V4-L67 HydrophobicContact CG2-CD1 4.09Å; V4-L67 HydrophobicContact CG2-CD2 3.72Å; V4-L67 HydrophobicContact CG2-CG 3.75Å; W7-L67 HydrophobicContact CH2-CD1 3.62Å; W7-L67 HydrophobicContact CH2-CD2 4.2Å; W7-L67 HydrophobicContact CH2-CG 4.49Å; W7-L67 HydrophobicContact CZ2-CD1 4.32Å; W7-L67 HydrophobicContact CZ3-CD1 4.28Å; W7-L67 HydrophobicContact CZ3-CD2 4.1Å; W15-L67 HydrophobicContact CZ2-CB 4.48Å; W15-L67 HydrophobicContact CZ2-CD1 4.11Å; L36-L67 HydrophobicContact CD2-CD2 4.24Å; L37-L67 HydrophobicContact CD2-CD2 4.24Å; R63-L67 WeakPolarHBondContact O-CB 3.45Å; R63-L67 PolarHBondContact O-N 3.23Å; M64-L67 WeakPolarHBondContact O-CB 3.18Å; M64-L67 PolarHBondContact O-N 3.39Å; E65-L67 VanDerWaalsContact C-N 3.32Å; E65-L67 PolarHBondContact O-N 3.44Å; L67-E70 PolarHBondContact O-N 3.43Å; L67-T71 VanDerWaalsContact O-CG2 3.32Å; L67-T71 WeakPolarHBondContact O-CG2 3.06Å; L67-T71 PolarHBondContact O-N 3.46Å; L67-T71 PolarHBondContact O-OG1 2.96Å
68R82.6Confident75.9Confident147 Ų14786.8 Ų86.856%0.55540%0.403SS*.Hα-helixtrans-64.4-43.4177.5-168178.5-171.7163.64111.6L37 M64 E65 I66 T71 H72L37-R68 HydrophobicContact CD2-CB 4.3Å; M64-R68 WeakPolarHBondContact O-CB 3.31Å; M64-R68 PolarHBondContact O-N 3.13Å; E65-R68 WeakPolarHBondContact O-CB 3.37Å; E65-R68 PolarHBondContact O-N 3.29Å; I66-R68 VanDerWaalsContact C-N 3.3Å; I66-R68 PolarHBondContact O-N 3.34Å; R68-T71 PolarHBondContact O-N 3.1Å; R68-T71 PolarHBondContact O-OG1 3.04Å; R68-H72 PolarHBondContact O-N 3.49Å; R68-H72 VanDerWaalsContact O-N 3.11Å
69I81.4Confident74.3Confident88 Ų8882.8 Ų82.845%0.45140%0.402SS..Hα-helixtrans-63-43.8176.3-66.6164.7000110.7E65 I66 T71 H72 I73E65-I69 HydrophobicContact CG-CD1 4.35Å; E65-I69 WeakPolarHBondContact O-CG1 3.32Å; E65-I69 PolarHBondContact O-N 3.3Å; I66-I69 PolarHBondContact O-N 3.47Å; I69-T71 PolarHBondContact O-N 2.91Å; I69-H72 PolarHBondContact O-N 3.45Å; I69-I73 HydrophobicContact CG2-CD1 3.79Å; I69-I73 HydrophobicContact CG2-CG1 4.48Å; I69-I73 VanDerWaalsContact O-CG1 3.3Å; I69-I73 WeakPolarHBondContact O-CG1 3.47Å; I69-I73 PolarHBondContact O-N 2.97Å
70E78Confident72.5Confident91 Ų9186.2 Ų86.243%0.42542%0.422SS..Hα-helixtrans-60.7-42.7177.2-74.9-176.4171.700112.2I66 L67 H72 I73 E74I66-E70 WeakPolarHBondContact O-CG 3.05Å; I66-E70 PolarHBondContact O-N 3.01Å; L67-E70 PolarHBondContact O-N 3.43Å; E70-H72 PolarHBondContact O-N 2.89Å; E70-I73 PolarHBondContact O-N 3.29Å; E70-E74 PolarHBondContact O-N 3.44Å
71T72.8Confident70.3Confident19 Ų1989.9 Ų89.912%0.11745%0.452CS..Hα-helixtrans-62.4-42.8176.957.30000112.6V4 L67 R68 I69 I73 E74 D75V4-T71 HydrophobicContact CB-CG2 3.52Å; V4-T71 HydrophobicContact CG2-CG2 3.2Å; L67-T71 VanDerWaalsContact O-CG2 3.32Å; L67-T71 WeakPolarHBondContact O-CG2 3.06Å; L67-T71 PolarHBondContact O-N 3.46Å; L67-T71 PolarHBondContact O-OG1 2.96Å; R68-T71 PolarHBondContact O-N 3.1Å; R68-T71 PolarHBondContact O-OG1 3.04Å; I69-T71 PolarHBondContact O-N 2.91Å; T71-I73 VanDerWaalsContact C-N 3.3Å; T71-I73 PolarHBondContact O-N 2.78Å; T71-E74 PolarHBondContact O-N 3.06Å; T71-D75 PolarHBondContact O-N 2.7Å
72H72.8Confident68.1Low117 Ų11795.7 Ų95.754%0.54248%0.483SS..Hα-helixtrans-65.6-35.3178.6-167.6-82.1000111.7R68 I69 E70 H76R68-H72 PolarHBondContact O-N 3.49Å; R68-H72 VanDerWaalsContact O-N 3.11Å; I69-H72 PolarHBondContact O-N 3.45Å; E70-H72 PolarHBondContact O-N 2.89Å; H72-H76 AromaticContact CE1-CD2 3.35Å; H72-H76 PolarHBondContact CE1-CD2 2.73Å; H72-H76 AromaticContact CE1-NE2 3.09Å; H72-H76 PolarHBondContact CE1-NE2 3.48Å; H72-H76 AromaticContact ND1-CD2 3.44Å; H72-H76 PolarHBondContact ND1-CD2 2.75Å; H72-H76 AromaticContact ND1-NE2 3.72Å; H72-H76 AromaticContact NE2-NE2 3.8Å; H72-H76 PolarHBondContact O-CD2 2.92Å; H72-H76 VanDerWaalsContact O-CD2 3.25Å; H72-H76 PolarHBondContact O-N 3.25Å
73I73.2Confident65.8Low104 Ų10492.6 Ų92.653%0.53348%0.484SS..Hα-helixtrans-68.6-41.2175.3-68.6168000111.4I69 E70 T71 H76 K77I69-I73 HydrophobicContact CG2-CD1 3.79Å; I69-I73 HydrophobicContact CG2-CG1 4.48Å; I69-I73 VanDerWaalsContact O-CG1 3.3Å; I69-I73 WeakPolarHBondContact O-CG1 3.47Å; I69-I73 PolarHBondContact O-N 2.97Å; E70-I73 PolarHBondContact O-N 3.29Å; T71-I73 VanDerWaalsContact C-N 3.3Å; T71-I73 PolarHBondContact O-N 2.78Å; I73-H76 PolarHBondContact O-N 3Å; I73-K77 PolarHBondContact O-N 3.26Å; I73-K77 VanDerWaalsContact O-N 3.15Å
74E65.9Low63.4Low71 Ų7197 Ų9733%0.33251%0.509SS..Hα-helixtrans-66.6-37.8177.9-72.9-162.7153.600112.3M1 E70 T71 H76 K77 N78M1-E74 PolarHBondContact N-OE1 3.42Å; M1-E74 PolarHBondContact N-OE2 2.64Å; E70-E74 PolarHBondContact O-N 3.44Å; T71-E74 PolarHBondContact O-N 3.06Å; E74-H76 PolarHBondContact O-N 2.97Å; E74-K77 PolarHBondContact O-N 3.32Å; E74-N78 PolarHBondContact O-N 3.15Å; E74-N78 VanDerWaalsContact O-N 3.14Å; E74-N78 PolarHBondContact O-ND2 2.54Å
75D61.7Low60.8Low87 Ų87103.4 Ų103.447%0.46555%0.548SS..Hα-helixtrans-64.7-38.8177.3-73.9-18.5000112.4N3 T71 K77 N78 G79N3-D75 PolarHBondContact ND2-OD1 3Å; T71-D75 PolarHBondContact O-N 2.7Å; D75-K77 VanDerWaalsContact C-N 3.34Å; D75-K77 PolarHBondContact O-N 3.45Å; D75-N78 PolarHBondContact O-N 3.26Å; D75-G79 PolarHBondContact O-N 2.98Å
76H59.7Low58.3Low120 Ų120103.3 Ų103.356%0.55657%0.565SS**Hα-helixtrans-70.3-28.3173.6-83.1-69.1000113.7H72 I73 E74H72-H76 AromaticContact CE1-CD2 3.35Å; H72-H76 PolarHBondContact CE1-CD2 2.73Å; H72-H76 AromaticContact CE1-NE2 3.09Å; H72-H76 PolarHBondContact CE1-NE2 3.48Å; H72-H76 AromaticContact ND1-CD2 3.44Å; H72-H76 PolarHBondContact ND1-CD2 2.75Å; H72-H76 AromaticContact ND1-NE2 3.72Å; H72-H76 AromaticContact NE2-NE2 3.8Å; H72-H76 PolarHBondContact O-CD2 2.92Å; H72-H76 VanDerWaalsContact O-CD2 3.25Å; H72-H76 PolarHBondContact O-N 3.25Å; I73-H76 PolarHBondContact O-N 3Å; E74-H76 PolarHBondContact O-N 2.97Å
77K56.8Low55.7Low162 Ų162103.5 Ų103.570%0.70458%0.583SS**Hα-helixtrans-73.1-33.7178.2-158.3174.9-178.1-178.50111.9I73 E74 D75I73-K77 PolarHBondContact O-N 3.26Å; I73-K77 VanDerWaalsContact O-N 3.15Å; E74-K77 PolarHBondContact O-N 3.32Å; D75-K77 VanDerWaalsContact C-N 3.34Å; D75-K77 PolarHBondContact O-N 3.45Å
78N51Low53.2Low116 Ų116111 Ų11162%0.6262%0.622SS**Hα-helixtrans-77.3-23.5178.5-68.1-25.3000113.4E74 D75 H80E74-N78 PolarHBondContact O-N 3.15Å; E74-N78 VanDerWaalsContact O-N 3.14Å; E74-N78 PolarHBondContact O-ND2 2.54Å; D75-N78 PolarHBondContact O-N 3.26Å; N78-H80 VanDerWaalsContact C-N 3.31Å; N78-H80 PolarHBondContact O-N 3.31Å
79G47.1Very low51Low66 Ų66109.9 Ų109.968%0.6863%0.634SS**THydrogen-bonded Turntrans-71.2-18.4175.300000115.2D75D75-G79 PolarHBondContact O-N 2.98Å
80H45.4Very low48.5Very low175 Ų175113.5 Ų113.581%0.8165%0.654SS**THydrogen-bonded Turntrans-99.5-0.7-178-83.6-45000114.9N78N78-H80 VanDerWaalsContact C-N 3.31Å; N78-H80 PolarHBondContact O-N 3.31Å
81A37.1Very low46.2Very low76 Ų76112.8 Ų112.863%0.62867%0.671SS**SBendtrans-89.8-10.9-171.400000115.9
82N39.9Very low44.2Very low163 Ų163118.8 Ų118.887%0.87271%0.708SS**SBendtrans-107.238.4-176.2-73.9-13.4000114.1
83G35.8Very low42.1Very low58 Ų58118.9 Ų118.960%0.59872%0.722SS**  trans-11729.1-170.800000116.3
84H34.3Very low40Very low189 Ų189123.6 Ų123.688%0.87574%0.739SS**  trans-158.488.7171.5-90-68.3000112.4
85V31.1Very low39Very low147 Ų147125.7 Ų125.789%0.89176%0.758SS**  trans-161139.1144.5174.80000108.7
86A30.1Very low37.4Very low100 Ų100131 Ų13183%0.82678%0.78SS**  trans80.2118.4172.600000115.3
87G29.2Very low35.9Very low72 Ų72135.6 Ų135.674%0.74279%0.793SS**  cis112.295.13100000107.7
88I31.1Very low34.4Very low163 Ų163134.7 Ų134.784%0.83680%0.795SS**  trans-75.1135.1174.3-61.1169.3000108.2
89P35.7Very low33.5Very low124 Ų124133 Ų13381%0.80581%0.805SS**  -140.415610928.6-9.2000115.7
90N29.3Very low32.5Very low163 Ų163136.3 Ų136.387%0.87281%0.813SS**  trans-40.8149.4170.7-74.3-31.7000116.2
91G29.4Very low31.8Very low77 Ų77135.1 Ų135.179%0.79481%0.811SS**  trans164.6116.6157.800000115.4
92T31.8Very low31.3Very low144 Ų144139.5 Ų139.588%0.88382%0.819SS**  trans-60137.2177.338.90000117
93S29.3Very low30.8Very low120 Ų120142.5 Ų142.584%0.83982%0.818SS**  trans-171.4123.4140.452.80000112.9
94K27.9Very low30.6Very low203 Ų203148.2 Ų148.288%0.88383%0.827SS**  trans-76.1-173.4167.4-73.2-178.6172.6177.20110.9
95P45.8Very low30.6Very low114 Ų114145 Ų14574%0.7482%0.816SS**  -133.1165.6-58.837.4-22.1000112
96Q27.7Very low30.8Very low199 Ų199147.6 Ų147.693%0.9382%0.815SS**  trans-151.9121.2154.4-147.5148.9-18.700115.2
97R28.7Very low31.1Very low217 Ų217150.7 Ų150.782%0.81981%0.813SS**  trans-34.8161.5158.5-78.1174126.3173.5-2.5114.2
98N25.2Very low31.6Very low142 Ų142158.6 Ų158.676%0.75982%0.82SS**  cis-171.3151.93.8-105.4-6.2000105.8
99G30.8Very low32Very low80 Ų80159.2 Ų159.283%0.82582%0.82SS**  trans166.987.1168.200000113.7
100T27.8Very low32.4Very low137 Ų137161.2 Ų161.284%0.8482%0.82SS**  trans-63.8134.7-178.5-5.10000113.2
101L29.3Very low33.2Very low149 Ų149160.7 Ų160.778%0.7882%0.816SS**  -178.7132.6117-112.8103.5000111.5
102E27.5Very low33.8Very low169 Ų169165 Ų16579%0.7982%0.815SS**  trans63.396.3156.4-66.9-174.6178.200120.6K104E102-K104 PolarHBondContact O-N 3.09Å; E102-K104 VanDerWaalsContact O-N 3.11Å
103R29.8Very low34.6Very low225 Ų225164.2 Ų164.285%0.84980%0.804SS**  trans-65.895.5157-176.5-178.5-173.4167.44109.5D105R103-D105 IonicContact NE-OD1 3.35Å
104K31.8Very low35.5Very low179 Ų179163.5 Ų163.578%0.77880%0.797SS**  trans-94.8117.5147.7-95.6-179.2175.2174.90106.9E102 F106E102-K104 PolarHBondContact O-N 3.09Å; E102-K104 VanDerWaalsContact O-N 3.11Å; K104-F106 PolarHBondContact O-N 3.13Å
105D33.4Very low36.1Very low122 Ų122161.2 Ų161.265%0.65279%0.791SS**  trans-55.2102.5171.3-66.3-48.5000108.2R103 E107R103-D105 IonicContact NE-OD1 3.35Å; D105-E107 PolarHBondContact O-N 3.25Å
106F34.4Very low35.8Very low200 Ų200160.5 Ų160.588%0.87779%0.786SS**  trans-71.881.1158.3-100.2-93.6000105.5K104 R108K104-F106 PolarHBondContact O-N 3.13Å; F106-R108 PolarHBondContact O-N 2.94Å; F106-R108 VanDerWaalsContact O-N 3.15Å
107E37.5Very low36.4Very low166 Ų166157 Ų15778%0.77678%0.779SS**  trans-44.9123.3146.7-76.7-168141.100105.7D105 E109D105-E107 PolarHBondContact O-N 3.25Å; E107-E109 PolarHBondContact O-N 2.86Å
108R40.1Very low37.2Very low237 Ų237153.2 Ų153.289%0.89477%0.773SS**  trans-59.794.4163.8-76176.7179.1171.6-0.8104.9F106 M110F106-R108 PolarHBondContact O-N 2.94Å; F106-R108 VanDerWaalsContact O-N 3.15Å; R108-M110 PolarHBondContact O-N 2.76Å
109E38.3Very low37.7Very low177 Ų177153.5 Ų153.583%0.82777%0.77SS**  trans-6292.2169.2-163.7174.4-165.700104.8E107 I111E107-E109 PolarHBondContact O-N 2.86Å; E109-I111 VanDerWaalsContact C-N 3.34Å; E109-I111 PolarHBondContact O-N 3.4Å
110M45.1Very low38.3Very low165 Ų165153.9 Ų153.981%0.81376%0.758SS**  trans-62.3106.4174.1-71.2-169.8-69.400104.4R108 H112R108-M110 PolarHBondContact O-N 2.76Å; M110-H112 VanDerWaalsContact C-N 3.28Å; M110-H112 PolarHBondContact O-N 3.21Å
111I46Very low38.9Very low152 Ų152153.7 Ų153.778%0.77976%0.757SS**  trans-56.5102.1173.8-59.4172.3000105.5E109 I113E109-I111 VanDerWaalsContact C-N 3.34Å; E109-I111 PolarHBondContact O-N 3.4Å; I111-I113 HydrophobicContact CG2-CG1 4.11Å; I111-I113 PolarHBondContact O-N 3.29Å
112H40.7Very low39.5Very low169 Ų169156.8 Ų156.878%0.78276%0.758SS**  trans-76.182.9179-148.7-66.4000105.2M110 P114M110-H112 VanDerWaalsContact C-N 3.28Å; M110-H112 PolarHBondContact O-N 3.21Å; H112-P114 WeakPolarHBondContact O-CD 3.37Å
113I48.7Very low40.6Very low126 Ų126151.9 Ų151.965%0.64674%0.742SS**  trans-60.7111169.6-58.3174.6000104.2I111 M115I111-I113 HydrophobicContact CG2-CG1 4.11Å; I111-I113 PolarHBondContact O-N 3.29Å; I113-M115 PolarHBondContact O-N 3.45Å
114P48.3Very low41.8Very low106 Ų106144.3 Ų144.369%0.68872%0.724SS**  trans-66.9100.8168.9-1.319.6000102.8H112 P116H112-P114 WeakPolarHBondContact O-CD 3.37Å; P114-P116 WeakPolarHBondContact O-CD 3.21Å
115M40.5Very low43.5Very low155 Ų155137 Ų13776%0.76469%0.692SS**  trans-50.5117.3158-72.4-82.1-75.100103.3I113 T117I113-M115 PolarHBondContact O-N 3.45Å; M115-T117 PolarHBondContact O-N 3.37Å
116P39.2Very low45.3Very low98 Ų98133 Ų13364%0.63667%0.673SS**  trans-51.1125.5167.116.1-20.9000103.4P114 I118P114-P116 WeakPolarHBondContact O-CD 3.21Å; P116-I118 PolarHBondContact O-N 2.94Å
117T41.3Very low47.1Very low127 Ų127128.1 Ų128.178%0.77966%0.659SS**  trans-61.182.7162.4-31.60000103.1M115 E119M115-T117 PolarHBondContact O-N 3.37Å; T117-E119 PolarHBondContact O-N 2.76Å
118I45.2Very low49.1Very low136 Ų136122.4 Ų122.470%0.69763%0.633SS**  trans-56.589.6140.7-58.5172.900098.9P116 P120P116-I118 PolarHBondContact O-N 2.94Å; I118-P120 WeakPolarHBondContact O-CD 3.39Å
119E36.3Very low51.3Low149 Ų149117.1 Ų117.170%0.69661%0.613SS**  trans-40.6112.4149.1-72.7-168.5163.100101.3T117 T121T117-E119 PolarHBondContact O-N 2.76Å; E119-T121 PolarHBondContact O-N 2.82Å
120P43Very low53.6Low87 Ų87111.2 Ų111.257%0.56560%0.6SS**  trans-52.6113.9164.421.7-27.2000100.4I118 R122I118-P120 WeakPolarHBondContact O-CD 3.39Å; P120-R122 HydrophobicContact CB-CG 4.14Å; P120-R122 HydrophobicContact CG-CG 4.07Å; P120-R122 PolarHBondContact O-N 3.26Å
121T40.4Very low55.7Low134 Ų134104.2 Ų104.282%0.82257%0.565SS**  trans-56.878.3153.439.60000101.7E119 S123E119-T121 PolarHBondContact O-N 2.82Å; T121-S123 PolarHBondContact O-N 3.31Å
122R42.7Very low57.8Low213 Ų21397.3 Ų97.380%0.80453%0.53SS*.  trans-58.7103.1172.5-92.1179.7168.9176.5-0.797.5P120 S124P120-R122 HydrophobicContact CB-CG 4.14Å; P120-R122 HydrophobicContact CG-CG 4.07Å; P120-R122 PolarHBondContact O-N 3.26Å; R122-S124 WeakPolarHBondContact O-CA 3.08Å; R122-S124 PolarHBondContact O-N 2.61Å
123S49.2Very low60.3Low66 Ų6690.8 Ų90.846%0.46251%0.508SS..  trans-47.996.7165.251.40000103.8T121 F125T121-S123 PolarHBondContact O-N 3.31Å; S123-F125 VanDerWaalsContact C-N 3.31Å; S123-F125 VanDerWaalsContact CB-CE2 3.48Å; S123-F125 VanDerWaalsContact O-CD2 3.26Å; S123-F125 WeakPolarHBondContact O-CD2 3.36Å; S123-F125 PolarHBondContact O-N 3.14Å; S123-F125 WeakPolarHBondContact OG-CE2 3.49Å
124S55.3Low62.4Low66 Ų6688.3 Ų88.346%0.46250%0.495SS..  trans-74.9101.4-167.5-1730000102.3R122 P126R122-S124 WeakPolarHBondContact O-CA 3.08Å; R122-S124 PolarHBondContact O-N 2.61Å; S124-P126 WeakPolarHBondContact O-CD 3.2Å
125F67.6Low64.6Low26 Ų2683.2 Ų83.211%0.11446%0.463CS..  trans-10372.5170.2-64.5-67.3000105.8S123 T127 H204 I207 V378 V382 P383S123-F125 VanDerWaalsContact C-N 3.31Å; S123-F125 VanDerWaalsContact CB-CE2 3.48Å; S123-F125 VanDerWaalsContact O-CD2 3.26Å; S123-F125 WeakPolarHBondContact O-CD2 3.36Å; S123-F125 PolarHBondContact O-N 3.14Å; S123-F125 WeakPolarHBondContact OG-CE2 3.49Å; F125-T127 PolarHBondContact O-N 3.33Å; F125-H204 AromaticContact CD2-CE1 3.92Å; F125-I207 HydrophobicContact CB-CD1 3.73Å; F125-I207 HydrophobicContact CD1-CD1 3.84Å; F125-I207 HydrophobicContact CG-CD1 4.2Å; F125-V378 HydrophobicContact CD1-CG1 3.95Å; F125-V378 HydrophobicContact CD1-CG2 4.3Å; F125-V378 HydrophobicContact CE1-CG1 3.82Å; F125-V382 HydrophobicContact CE1-CG2 4.28Å; F125-P383 HydrophobicContact CE2-CG 4.15Å
126P71.1Confident67.2Low39 Ų3980.8 Ų80.825%0.25345%0.448SS..  trans-62.8137.8-177.828.6-34.8000109.2S124 E128 N377S124-P126 WeakPolarHBondContact O-CD 3.2Å; P126-E128 VanDerWaalsContact C-N 3.27Å; P126-E128 HydrophobicContact CB-CG 3.99Å; P126-E128 HydrophobicContact CG-CG 3.98Å; P126-E128 PolarHBondContact O-N 2.75Å; P126-N377 VanDerWaalsContact CD-O 3.32Å; P126-N377 WeakPolarHBondContact CD-O 3.42Å; P126-N377 HydrophobicContact CG-CB 3.82Å
127T71.7Confident69.9Low96 Ų9681.2 Ų81.259%0.58944%0.444SS*.  trans-79.180176.149.90000109.7F125 W129F125-T127 PolarHBondContact O-N 3.33Å; T127-W129 PolarHBondContact O-N 3.41Å
128E81.3Confident72.4Confident46 Ų4677.2 Ų77.222%0.21542%0.415CS..  trans-90.288.6-178.5-62.8178.6153.800110.8P126 G130 K131 T132 S206 R210 N377P126-E128 VanDerWaalsContact C-N 3.27Å; P126-E128 HydrophobicContact CB-CG 3.99Å; P126-E128 HydrophobicContact CG-CG 3.98Å; P126-E128 PolarHBondContact O-N 2.75Å; E128-G130 VanDerWaalsContact C-N 3.29Å; E128-G130 PolarHBondContact O-N 2.9Å; E128-K131 HydrophobicContact CB-CB 4.46Å; E128-K131 HydrophobicContact CB-CG 4.31Å; E128-K131 WeakPolarHBondContact OE2-CD 2.94Å; E128-K131 WeakPolarHBondContact OE2-CE 3.31Å; E128-K131 IonicContact OE2-NZ 3.62Å; E128-K131 PolarHBondContact OE2-NZ 3.16Å; E128-T132 PolarHBondContact O-OG1 3.06Å; E128-S206 PolarHBondContact O-OG 3.25Å; E128-R210 IonicContact OE2-NH1 2.74Å; E128-N377 PolarHBondContact OE1-ND2 3.15Å
129W84.6Confident74.8Confident126 Ų12671.3 Ų71.348%0.47739%0.386SS..Hα-helixtrans-70.3-25.7179.4-7094.8000113.2T127 T132 G133 R205T127-W129 PolarHBondContact O-N 3.41Å; W129-T132 PolarHBondContact O-N 3.42Å; W129-G133 PolarHBondContact O-N 3.37Å; W129-R205 HydrophobicContact CH2-CG 3.79Å; W129-R205 HydrophobicContact CZ2-CG 3.92Å
130G88.1Confident77.5Confident54 Ų5467.1 Ų67.156%0.55737%0.371SS*.Hα-helixtrans-60.2-47.717600000112.6E128 T132 G133 I134E128-G130 VanDerWaalsContact C-N 3.29Å; E128-G130 PolarHBondContact O-N 2.9Å; G130-T132 VanDerWaalsContact C-N 3.3Å; G130-T132 PolarHBondContact O-N 3.16Å; G130-G133 PolarHBondContact O-N 3.16Å; G130-I134 WeakPolarHBondContact O-CG1 3.39Å; G130-I134 PolarHBondContact O-N 3.1Å
131K89.3Confident80Confident17 Ų1766.9 Ų66.97%0.07437%0.367CS..Hα-helixtrans-61.9-38.9176.1-63.3-162.3-174.2-176.30111.5E128 I134 A135 Y373 F374 E376 N377E128-K131 HydrophobicContact CB-CB 4.46Å; E128-K131 HydrophobicContact CB-CG 4.31Å; E128-K131 WeakPolarHBondContact OE2-CD 2.94Å; E128-K131 WeakPolarHBondContact OE2-CE 3.31Å; E128-K131 IonicContact OE2-NZ 3.62Å; E128-K131 PolarHBondContact OE2-NZ 3.16Å; K131-I134 PolarHBondContact O-N 3.14Å; K131-A135 PolarHBondContact O-N 3.11Å; K131-Y373 HydrophobicContact CD-CE1 4.39Å; K131-Y373 WeakPolarHBondContact CD-O 3.25Å; K131-Y373 HydrophobicContact CG-CE1 4.16Å; K131-Y373 PolarHBondContact NZ-O 2.81Å; K131-F374 HydrophobicContact CB-CD1 4.24Å; K131-F374 VanDerWaalsContact O-CE1 3.25Å; K131-F374 WeakPolarHBondContact O-CE1 3.44Å; K131-E376 IonicContact NZ-OE2 2.65Å; K131-E376 PolarHBondContact NZ-OE2 3.47Å; K131-N377 PolarHBondContact NZ-ND2 3.26Å
132T90.2Very high82.6Confident8 Ų860.8 Ų60.85%0.04933%0.33CS..Hα-helixtrans-66.6-38.2175.7-56.20000112.7E128 W129 G130 A135 F136 S206 R210 F213E128-T132 PolarHBondContact O-OG1 3.06Å; W129-T132 PolarHBondContact O-N 3.42Å; G130-T132 VanDerWaalsContact C-N 3.3Å; G130-T132 PolarHBondContact O-N 3.16Å; T132-A135 PolarHBondContact O-N 3.41Å; T132-F136 WeakPolarHBondContact O-CB 3.32Å; T132-F136 PolarHBondContact O-N 3.07Å; T132-S206 PolarHBondContact OG1-O 2.88Å; T132-S206 PolarHBondContact OG1-OG 3.44Å; T132-R210 HydrophobicContact CG2-CB 4.39Å; T132-F213 HydrophobicContact CG2-CD2 4.48Å; T132-F213 HydrophobicContact CG2-CE2 4.48Å
133G91.6Very high85Confident31 Ų3153.4 Ų53.432%0.3230%0.304SS..Hα-helixtrans-60.8-43172.700000112.2W129 G130 F136 I137W129-G133 PolarHBondContact O-N 3.37Å; G130-G133 PolarHBondContact O-N 3.16Å; G133-F136 WeakPolarHBondContact O-CB 3.26Å; G133-F136 PolarHBondContact O-N 3.05Å; G133-I137 VanDerWaalsContact O-CG1 3.31Å; G133-I137 WeakPolarHBondContact O-CG1 3.21Å; G133-I137 PolarHBondContact O-N 2.96Å
134I94.6Very high87Confident74 Ų7453 Ų5338%0.37930%0.298SS..Hα-helixtrans-63.4-44.9175.8-64.6165.3000111.1G130 K131 F136 I137 Y138 Y373 F374G130-I134 WeakPolarHBondContact O-CG1 3.39Å; G130-I134 PolarHBondContact O-N 3.1Å; K131-I134 PolarHBondContact O-N 3.14Å; I134-F136 VanDerWaalsContact C-N 3.29Å; I134-F136 PolarHBondContact O-N 3.16Å; I134-I137 PolarHBondContact O-N 3.43Å; I134-Y138 PolarHBondContact O-N 2.77Å; I134-Y373 HydrophobicContact CD1-CE1 4Å; I134-Y373 WeakPolarHBondContact CD1-OH 3.45Å; I134-F374 HydrophobicContact CB-CE1 4.3Å; I134-F374 HydrophobicContact CG2-CE1 4.2Å; I134-F374 HydrophobicContact CG2-CZ 4.11Å
135A94.2Very high88.9Confident0 Ų052.6 Ų52.60%029%0.293CS..Hα-helixtrans-61.6-38.5176.200000112.1K131 T132 Y138 A139 R210 F213 F374K131-A135 PolarHBondContact O-N 3.11Å; T132-A135 PolarHBondContact O-N 3.41Å; A135-Y138 WeakPolarHBondContact O-CB 3.38Å; A135-Y138 PolarHBondContact O-N 2.69Å; A135-A139 PolarHBondContact O-N 3.34Å; A135-R210 HydrophobicContact CB-CB 3.9Å; A135-F213 HydrophobicContact CB-CB 4.14Å; A135-F374 HydrophobicContact CB-CD1 4.42Å; A135-F374 HydrophobicContact CB-CE1 3.78Å; A135-F374 HydrophobicContact CB-CE2 4.4Å; A135-F374 HydrophobicContact CB-CZ 3.76Å
136F94.4Very high90Very high103 Ų10351.5 Ų51.545%0.45229%0.288SS..Hα-helixtrans-64.7-46.3174.7178.6-103.7000111.9T132 G133 I134 Y138 A139 V140 F213T132-F136 WeakPolarHBondContact O-CB 3.32Å; T132-F136 PolarHBondContact O-N 3.07Å; G133-F136 WeakPolarHBondContact O-CB 3.26Å; G133-F136 PolarHBondContact O-N 3.05Å; I134-F136 VanDerWaalsContact C-N 3.29Å; I134-F136 PolarHBondContact O-N 3.16Å; F136-Y138 VanDerWaalsContact C-N 3.3Å; F136-Y138 PolarHBondContact O-N 2.88Å; F136-A139 PolarHBondContact O-N 3.46Å; F136-A139 VanDerWaalsContact O-N 3.16Å; F136-V140 HydrophobicContact CD1-CG2 4.19Å; F136-V140 HydrophobicContact CD2-CG2 4.48Å; F136-V140 HydrophobicContact CE1-CG2 3.76Å; F136-V140 HydrophobicContact CE2-CG2 4.08Å; F136-V140 HydrophobicContact CZ-CG2 3.7Å; F136-V140 WeakPolarHBondContact O-CG2 3.23Å; F136-V140 PolarHBondContact O-N 2.87Å; F136-F213 HydrophobicContact CB-CD2 4.06Å; F136-F213 HydrophobicContact CB-CE2 4.27Å; F136-F213 HydrophobicContact CB-CG 4.4Å; F136-F213 HydrophobicContact CD2-CD1 4.02Å; F136-F213 HydrophobicContact CD2-CD2 4.3Å; F136-F213 AromaticContact CD2-CE1 3.69Å; F136-F213 HydrophobicContact CD2-CE1 3.69Å; F136-F213 AromaticContact CD2-CE2 3.98Å; F136-F213 HydrophobicContact CD2-CE2 3.98Å; F136-F213 HydrophobicContact CD2-CG 4.34Å; F136-F213 AromaticContact CD2-CZ 3.68Å; F136-F213 HydrophobicContact CD2-CZ 3.68Å; F136-F213 HydrophobicContact CE2-CE1 4.2Å; F136-F213 HydrophobicContact CE2-CZ 4.3Å
137I95.2Very high90.9Very high107 Ų10749.9 Ų49.955%0.54928%0.278SS..Hα-helixtrans-58.5-44.4175.2-68.5164.7000110.3G133 I134 A139 V140 V141G133-I137 VanDerWaalsContact O-CG1 3.31Å; G133-I137 WeakPolarHBondContact O-CG1 3.21Å; G133-I137 PolarHBondContact O-N 2.96Å; I134-I137 PolarHBondContact O-N 3.43Å; I137-A139 VanDerWaalsContact C-N 3.35Å; I137-A139 PolarHBondContact O-N 2.92Å; I137-V140 PolarHBondContact O-N 3.38Å; I137-V141 HydrophobicContact CG2-CG2 4.29Å; I137-V141 WeakPolarHBondContact O-CG2 3.29Å; I137-V141 PolarHBondContact O-N 3Å
138Y95.3Very high91.8Very high44 Ų4448 Ų4817%0.17327%0.267CS..Hα-helixtrans-57-46.3175.1170.4-105.8000112.2I134 A135 F136 V141 C142 F214 T218 L370I134-Y138 PolarHBondContact O-N 2.77Å; A135-Y138 WeakPolarHBondContact O-CB 3.38Å; A135-Y138 PolarHBondContact O-N 2.69Å; F136-Y138 VanDerWaalsContact C-N 3.3Å; F136-Y138 PolarHBondContact O-N 2.88Å; Y138-V141 PolarHBondContact O-N 3.34Å; Y138-C142 VanDerWaalsContact CE2-SG 3.57Å; Y138-C142 PolarHBondContact O-N 2.85Å; Y138-C142 PolarHBondContact O-SG 3.11Å; Y138-F214 HydrophobicContact CE1-CD2 4.32Å; Y138-T218 PolarHBondContact OH-OG1 2.95Å; Y138-L370 HydrophobicContact CE2-CD2 4.49Å
139A94.9Very high92.3Very high11 Ų1146.8 Ų46.89%0.09126%0.262CS..Hα-helixtrans-62.9-42.6176.900000112.3A135 F136 I137 C142 F143 F213A135-A139 PolarHBondContact O-N 3.34Å; F136-A139 PolarHBondContact O-N 3.46Å; F136-A139 VanDerWaalsContact O-N 3.16Å; I137-A139 VanDerWaalsContact C-N 3.35Å; I137-A139 PolarHBondContact O-N 2.92Å; A139-C142 PolarHBondContact O-N 3.37Å; A139-F143 WeakPolarHBondContact O-CB 3.27Å; A139-F143 PolarHBondContact O-N 2.85Å; A139-F213 HydrophobicContact CB-CB 4.03Å; A139-F213 HydrophobicContact CB-CD1 4.33Å; A139-F213 WeakPolarHBondContact CB-O 3.35Å
140V93.8Very high92.6Very high62 Ų6241.2 Ų41.238%0.37624%0.242SC..Hα-helixtrans-63-45.5176.91710000111F136 I137 C142 F143 V144F136-V140 HydrophobicContact CD1-CG2 4.19Å; F136-V140 HydrophobicContact CD2-CG2 4.48Å; F136-V140 HydrophobicContact CE1-CG2 3.76Å; F136-V140 HydrophobicContact CE2-CG2 4.08Å; F136-V140 HydrophobicContact CZ-CG2 3.7Å; F136-V140 WeakPolarHBondContact O-CG2 3.23Å; F136-V140 PolarHBondContact O-N 2.87Å; I137-V140 PolarHBondContact O-N 3.38Å; V140-C142 VanDerWaalsContact C-N 3.35Å; V140-C142 PolarHBondContact O-N 2.94Å; V140-F143 PolarHBondContact O-N 2.55Å; V140-V144 HydrophobicContact CG1-CG2 4.4Å; V140-V144 WeakPolarHBondContact O-CG2 3.45Å; V140-V144 PolarHBondContact O-N 3.39Å
141V95.1Very high92.6Very high82 Ų8238.8 Ų38.850%0.49722%0.216SC..Hα-helixtrans-58.8-47.9175.6170.40000110.1I137 Y138 F143 V144 T145I137-V141 HydrophobicContact CG2-CG2 4.29Å; I137-V141 WeakPolarHBondContact O-CG2 3.29Å; I137-V141 PolarHBondContact O-N 3Å; Y138-V141 PolarHBondContact O-N 3.34Å; V141-F143 VanDerWaalsContact C-N 3.3Å; V141-F143 PolarHBondContact O-N 2.95Å; V141-V144 PolarHBondContact O-N 3.28Å; V141-T145 WeakPolarHBondContact O-CB 3.41Å; V141-T145 PolarHBondContact O-N 3.07Å; V141-T145 PolarHBondContact O-OG1 2.9Å
142C95Very high92.7Very high6 Ų640.4 Ų40.44%0.04123%0.227CC..Hα-helixtrans-60.7-38.2177.3-66.10000112.4Y138 A139 V140 T146 G217Y138-C142 VanDerWaalsContact CE2-SG 3.57Å; Y138-C142 PolarHBondContact O-N 2.85Å; Y138-C142 PolarHBondContact O-SG 3.11Å; A139-C142 PolarHBondContact O-N 3.37Å; V140-C142 VanDerWaalsContact C-N 3.35Å; V140-C142 PolarHBondContact O-N 2.94Å; C142-T146 WeakPolarHBondContact O-CB 3.36Å; C142-T146 PolarHBondContact O-N 3.47Å; C142-T146 PolarHBondContact O-OG1 2.81Å; C142-G217 PolarHBondContact SG-O 3.3Å
143F91.9Very high92.7Very high58 Ų5840 Ų4025%0.25423%0.225SC..Hα-helixtrans-67.2-43.5176.9-179.3-103000112.6A139 V140 V141 T146 S147 I260A139-F143 WeakPolarHBondContact O-CB 3.27Å; A139-F143 PolarHBondContact O-N 2.85Å; V140-F143 PolarHBondContact O-N 2.55Å; V141-F143 VanDerWaalsContact C-N 3.3Å; V141-F143 PolarHBondContact O-N 2.95Å; F143-T146 WeakPolarHBondContact O-CB 3.43Å; F143-T146 PolarHBondContact O-N 3.46Å; F143-S147 PolarHBondContact O-N 3.37Å; F143-S147 PolarHBondContact O-OG 2.82Å; F143-I260 HydrophobicContact CE1-CB 4.38Å; F143-I260 HydrophobicContact CE1-CG1 4.36Å; F143-I260 HydrophobicContact CE1-CG2 4.11Å
144V92.7Very high92.5Very high56 Ų5638.8 Ų38.834%0.33921%0.211SC..Hα-helixtrans-63-46.7173.9173.30000110.3V140 V141 T146 S147 V148 I260V140-V144 HydrophobicContact CG1-CG2 4.4Å; V140-V144 WeakPolarHBondContact O-CG2 3.45Å; V140-V144 PolarHBondContact O-N 3.39Å; V141-V144 PolarHBondContact O-N 3.28Å; V144-T146 VanDerWaalsContact C-N 3.3Å; V144-T146 PolarHBondContact O-N 3.37Å; V144-S147 WeakPolarHBondContact O-CB 3.18Å; V144-S147 PolarHBondContact O-N 2.89Å; V144-V148 WeakPolarHBondContact O-CG2 3.31Å; V144-V148 PolarHBondContact O-N 3.21Å; V144-I260 HydrophobicContact CG1-CD1 4.36Å; V144-I260 HydrophobicContact CG2-CD1 4.23Å
145T93.6Very high92.2Very high58 Ų5836.8 Ų36.836%0.35620%0.2SC..Hα-helixtrans-58.3-42.5175.1-57.50000111.4V141 S147 V148 V149V141-T145 WeakPolarHBondContact O-CB 3.41Å; V141-T145 PolarHBondContact O-N 3.07Å; V141-T145 PolarHBondContact O-OG1 2.9Å; T145-S147 VanDerWaalsContact C-N 3.26Å; T145-S147 PolarHBondContact O-N 3.49Å; T145-V148 PolarHBondContact O-N 3.47Å; T145-V149 HydrophobicContact CG2-CG2 4.25Å; T145-V149 WeakPolarHBondContact O-CB 3.42Å; T145-V149 VanDerWaalsContact O-CG2 3.3Å; T145-V149 WeakPolarHBondContact O-CG2 3.42Å; T145-V149 PolarHBondContact O-N 3.44Å
146T92Very high91.8Very high3 Ų342.8 Ų42.82%0.01822%0.223CC..Hα-helixtrans-58-43.6175.1-57.50000110.7C142 F143 V144 V148 V149 I150 Y220 C224 M227C142-T146 WeakPolarHBondContact O-CB 3.36Å; C142-T146 PolarHBondContact O-N 3.47Å; C142-T146 PolarHBondContact O-OG1 2.81Å; F143-T146 WeakPolarHBondContact O-CB 3.43Å; F143-T146 PolarHBondContact O-N 3.46Å; V144-T146 VanDerWaalsContact C-N 3.3Å; V144-T146 PolarHBondContact O-N 3.37Å; T146-V148 PolarHBondContact O-N 3.28Å; T146-V149 PolarHBondContact O-N 3.49Å; T146-I150 HydrophobicContact CG2-CD1 3.91Å; T146-I150 HydrophobicContact CG2-CG1 4.42Å; T146-I150 VanDerWaalsContact O-CG1 3.29Å; T146-I150 WeakPolarHBondContact O-CG1 3.25Å; T146-I150 PolarHBondContact O-N 2.84Å; T146-Y220 HydrophobicContact CG2-CD1 4Å; T146-C224 WeakPolarHBondContact CA-SG 3.37Å; T146-C224 PolarHBondContact OG1-SG 3.44Å; T146-M227 HydrophobicContact CG2-CE 4.06Å
147S90Very high91.4Very high5 Ų538.2 Ų38.24%0.03520%0.203CC..Hα-helixtrans-65.2-39.6-179.5-60.20000112.5F143 V144 T145 S151 M259 I260F143-S147 PolarHBondContact O-N 3.37Å; F143-S147 PolarHBondContact O-OG 2.82Å; V144-S147 WeakPolarHBondContact O-CB 3.18Å; V144-S147 PolarHBondContact O-N 2.89Å; T145-S147 VanDerWaalsContact C-N 3.26Å; T145-S147 PolarHBondContact O-N 3.49Å; S147-S151 PolarHBondContact O-N 3.29Å; S147-M259 VanDerWaalsContact CB-CE 3.41Å; S147-M259 WeakPolarHBondContact O-CE 3.42Å; S147-I260 WeakPolarHBondContact OG-CG1 3.23Å
148V91.1Very high90.8Very high58 Ų5835 Ų3535%0.35219%0.189SC..Hα-helixtrans-65.7-45.9173.5174.90000110.8V144 T145 T146 I150 S151 V152 I256V144-V148 WeakPolarHBondContact O-CG2 3.31Å; V144-V148 PolarHBondContact O-N 3.21Å; T145-V148 PolarHBondContact O-N 3.47Å; T146-V148 PolarHBondContact O-N 3.28Å; V148-I150 PolarHBondContact O-N 3.49Å; V148-S151 WeakPolarHBondContact O-CB 3.46Å; V148-S151 PolarHBondContact O-N 3Å; V148-S151 VanDerWaalsContact O-N 3.15Å; V148-V152 HydrophobicContact CG1-CG2 4.5Å; V148-V152 WeakPolarHBondContact O-CG2 3.2Å; V148-V152 PolarHBondContact O-N 3.5Å; V148-I256 HydrophobicContact CG2-CD1 4.33Å; V148-I256 HydrophobicContact CG2-CG2 4.33Å
149V91.8Very high90Very high19 Ų1936.1 Ų36.112%0.11520%0.202CC..Hα-helixtrans-63.1-41.7-179.6170.60000111.4T145 T146 S151 V152 V153 C224 M227T145-V149 HydrophobicContact CG2-CG2 4.25Å; T145-V149 WeakPolarHBondContact O-CB 3.42Å; T145-V149 VanDerWaalsContact O-CG2 3.3Å; T145-V149 WeakPolarHBondContact O-CG2 3.42Å; T145-V149 PolarHBondContact O-N 3.44Å; T146-V149 PolarHBondContact O-N 3.49Å; V149-S151 VanDerWaalsContact C-N 3.28Å; V149-S151 PolarHBondContact O-N 2.67Å; V149-V152 PolarHBondContact O-N 2.94Å; V149-V152 VanDerWaalsContact O-N 3.16Å; V149-V153 HydrophobicContact CG1-CG2 4.05Å; V149-V153 WeakPolarHBondContact O-CB 3.26Å; V149-V153 VanDerWaalsContact O-CG2 3.29Å; V149-V153 WeakPolarHBondContact O-CG2 3.39Å; V149-V153 PolarHBondContact O-N 3.46Å; V149-C224 HydrophobicContact CG2-CB 4.14Å; V149-M227 HydrophobicContact CG1-CB 4.39Å; V149-M227 HydrophobicContact CG1-CE 4.49Å
150I89.9Confident89.3Confident10 Ų1037.3 Ų37.35%0.05121%0.205CC..Hα-helixtrans-58-43.3174.3-70.4168.2000110.6T146 V148 V152 V153 H154 M227 M259 M273 D276T146-I150 HydrophobicContact CG2-CD1 3.91Å; T146-I150 HydrophobicContact CG2-CG1 4.42Å; T146-I150 VanDerWaalsContact O-CG1 3.29Å; T146-I150 WeakPolarHBondContact O-CG1 3.25Å; T146-I150 PolarHBondContact O-N 2.84Å; V148-I150 PolarHBondContact O-N 3.49Å; I150-V152 PolarHBondContact O-N 3.28Å; I150-V153 PolarHBondContact O-N 2.92Å; I150-H154 VanDerWaalsContact O-CB 3.32Å; I150-H154 WeakPolarHBondContact O-CB 3.42Å; I150-H154 PolarHBondContact O-N 3.32Å; I150-M227 HydrophobicContact CG1-CE 4.02Å; I150-M227 HydrophobicContact CG1-SD 4.31Å; I150-M259 HydrophobicContact CB-CE 4.13Å; I150-M259 HydrophobicContact CD1-CE 4.41Å; I150-M259 HydrophobicContact CG2-CE 4.2Å; I150-M259 HydrophobicContact CG2-SD 4.07Å; I150-M273 HydrophobicContact CG2-CB 3.92Å; I150-M273 HydrophobicContact CG2-SD 4.14Å; I150-D276 HydrophobicContact CD1-CB 4.27Å; I150-D276 HydrophobicContact CG1-CB 4.1Å
151S89.1Confident88.5Confident2 Ų242.6 Ų42.61%0.01423%0.226CC..Hα-helixtrans-62.8-41.3176-177.60000112.5S147 V148 V149 H154 E155 Q252S147-S151 PolarHBondContact O-N 3.29Å; V148-S151 WeakPolarHBondContact O-CB 3.46Å; V148-S151 PolarHBondContact O-N 3Å; V148-S151 VanDerWaalsContact O-N 3.15Å; V149-S151 VanDerWaalsContact C-N 3.28Å; V149-S151 PolarHBondContact O-N 2.67Å; S151-H154 WeakPolarHBondContact O-CB 3.49Å; S151-E155 PolarHBondContact O-N 3.04Å; S151-Q252 VanDerWaalsContact OG-CG 3.29Å; S151-Q252 WeakPolarHBondContact OG-CG 3.44Å; S151-Q252 PolarHBondContact OG-NE2 3.48Å
152V90Very high87.8Confident51 Ų5146 Ų4631%0.30924%0.236SC..Hα-helixtrans-66.6-43.6175.9171.50000111.7V148 V149 I150 H154 E155 R156 Y228V148-V152 HydrophobicContact CG1-CG2 4.5Å; V148-V152 WeakPolarHBondContact O-CG2 3.2Å; V148-V152 PolarHBondContact O-N 3.5Å; V149-V152 PolarHBondContact O-N 2.94Å; V149-V152 VanDerWaalsContact O-N 3.16Å; I150-V152 PolarHBondContact O-N 3.28Å; V152-H154 VanDerWaalsContact C-N 3.31Å; V152-H154 PolarHBondContact O-N 2.93Å; V152-E155 PolarHBondContact O-N 2.9Å; V152-R156 PolarHBondContact O-N 2.64Å; V152-Y228 HydrophobicContact CG1-CE2 4.4Å
153V90.1Very high87.2Confident0 Ų047.8 Ų47.80%025%0.246CC..Hα-helixtrans-65.7-37.5179.4167.90000110.6V149 I150 E155 R156 V157 M227 T231 G275V149-V153 HydrophobicContact CG1-CG2 4.05Å; V149-V153 WeakPolarHBondContact O-CB 3.26Å; V149-V153 VanDerWaalsContact O-CG2 3.29Å; V149-V153 WeakPolarHBondContact O-CG2 3.39Å; V149-V153 PolarHBondContact O-N 3.46Å; I150-V153 PolarHBondContact O-N 2.92Å; V153-E155 VanDerWaalsContact C-N 3.26Å; V153-E155 PolarHBondContact O-N 3.46Å; V153-R156 CarbonylContact O-C 3.56Å; V153-R156 WeakPolarHBondContact O-CA 3.46Å; V153-R156 WeakPolarHBondContact O-CB 3.5Å; V153-R156 PolarHBondContact O-N 3.02Å; V153-V157 HydrophobicContact CG1-CG2 4.19Å; V153-V157 WeakPolarHBondContact O-CG2 3.33Å; V153-V157 PolarHBondContact O-N 3.31Å; V153-M227 HydrophobicContact CG2-CB 4.31Å; V153-M227 WeakPolarHBondContact CG2-O 3.35Å; V153-T231 HydrophobicContact CB-CG2 4.35Å; V153-T231 HydrophobicContact CG1-CG2 3.61Å; V153-T231 HydrophobicContact CG2-CG2 4.16Å; V153-G275 WeakPolarHBondContact CG1-O 3.34Å
154H88.8Confident86.8Confident5 Ų549.4 Ų49.42%0.02326%0.263CS..Hα-helixtrans-55.8-38.4174.9174.262.2000113.8I150 S151 V152 R156 S242 R255 M273 C274I150-H154 VanDerWaalsContact O-CB 3.32Å; I150-H154 WeakPolarHBondContact O-CB 3.42Å; I150-H154 PolarHBondContact O-N 3.32Å; S151-H154 WeakPolarHBondContact O-CB 3.49Å; V152-H154 VanDerWaalsContact C-N 3.31Å; V152-H154 PolarHBondContact O-N 2.93Å; H154-R156 VanDerWaalsContact C-N 3.31Å; H154-R156 PolarHBondContact O-N 3.46Å; H154-S242 PolarHBondContact CE1-O 3.47Å; H154-S242 PolarHBondContact NE2-O 2.96Å; H154-R255 PolarHBondContact CD2-NH1 3.5Å; H154-R255 PolarHBondContact NE2-NH1 2.85Å; H154-R255 VanDerWaalsContact NE2-NH1 3.17Å; H154-M273 HydrophobicContact CB-CB 4.38Å; H154-C274 WeakPolarHBondContact CA-O 3.49Å; H154-C274 WeakPolarHBondContact CB-O 3.49Å; H154-C274 PolarHBondContact ND1-N 3.22Å
155E87Confident86.6Confident32 Ų3248.8 Ų48.815%0.1526%0.26CS..Hα-helixtrans-68.6-32.3175.1-63.4-61.7139.100112S151 V152 V153 K244 L245S151-E155 PolarHBondContact O-N 3.04Å; V152-E155 PolarHBondContact O-N 2.9Å; V153-E155 VanDerWaalsContact C-N 3.26Å; V153-E155 PolarHBondContact O-N 3.46Å; E155-K244 WeakPolarHBondContact O-CE 3.2Å; E155-K244 PolarHBondContact O-NZ 3.44Å; E155-K244 WeakPolarHBondContact OE1-CA 3.29Å; E155-K244 VanDerWaalsContact OE2-CB 3.28Å; E155-K244 WeakPolarHBondContact OE2-CB 3.42Å; E155-L245 PolarHBondContact OE1-N 2.92Å; E155-L245 PolarHBondContact OE2-N 3.43Å
156R86.8Confident86.4Confident127 Ų12750 Ų5048%0.47926%0.263SS..Hα-helixtrans-79.8-26.5179.9-71.5-177.3140.9162.40.5114.5V152 V153 H154 T231V152-R156 PolarHBondContact O-N 2.64Å; V153-R156 CarbonylContact O-C 3.56Å; V153-R156 WeakPolarHBondContact O-CA 3.46Å; V153-R156 WeakPolarHBondContact O-CB 3.5Å; V153-R156 PolarHBondContact O-N 3.02Å; H154-R156 VanDerWaalsContact C-N 3.31Å; H154-R156 PolarHBondContact O-N 3.46Å; R156-T231 HydrophobicContact CB-CG2 4.26Å
157V85.4Confident86.3Confident7 Ų755.7 Ų55.74%0.04230%0.301CS..SBendtrans-57.7125.5-177.8167.80000109.9V153 V234 K244 G275V153-V157 HydrophobicContact CG1-CG2 4.19Å; V153-V157 WeakPolarHBondContact O-CG2 3.33Å; V153-V157 PolarHBondContact O-N 3.31Å; V157-V234 HydrophobicContact CG1-CG2 4.09Å; V157-K244 WeakPolarHBondContact O-CE 3.47Å; V157-K244 PolarHBondContact O-NZ 3.01Å; V157-G275 VanDerWaalsContact CG2-CA 3.47Å
158P81.9Confident86.4Confident40 Ų4056.2 Ų56.226%0.2630%0.303SS..PPolyproline II helixtrans-65.4150.6177.725.5-33.5000111.3T163P158-T163 HydrophobicContact CB-CG2 4.12Å; P158-T163 HydrophobicContact CG-CG2 4.06Å; P158-T163 VanDerWaalsContact CG-OG1 3.23Å; P158-T163 WeakPolarHBondContact CG-OG1 3.25Å
159P80.3Confident86.4Confident67 Ų6760.4 Ų60.444%0.43532%0.316SS..PPolyproline II helixtrans-59.9144.4173.1-18.330.7000111.2E161 H162 T163P159-E161 VanDerWaalsContact CB-OE2 3.25Å; P159-E161 WeakPolarHBondContact CB-OE2 3.36Å; P159-E161 PolarHBondContact O-N 2.96Å; P159-H162 PolarHBondContact O-N 3.47Å; P159-H162 VanDerWaalsContact O-N 3.07Å; P159-T163 PolarHBondContact O-N 3.29Å; P159-T163 PolarHBondContact O-OG1 3.39Å
160K78.6Confident86.4Confident36 Ų3660.8 Ų60.816%0.15732%0.317CS..THydrogen-bonded Turntrans-65.6-25.6-177.5-55.1-172.3-167-174.90113.2H162 V234 G236 M237 F239K160-H162 PolarHBondContact O-N 3.09Å; K160-V234 HydrophobicContact CD-CB 4.45Å; K160-V234 HydrophobicContact CG-CB 4.43Å; K160-V234 HydrophobicContact CG-CG2 4.42Å; K160-G236 PolarHBondContact NZ-O 3.46Å; K160-M237 HydrophobicContact CB-CE 4.26Å; K160-M237 HydrophobicContact CB-SD 3.99Å; K160-M237 HydrophobicContact CD-SD 4.07Å; K160-M237 VanDerWaalsContact NZ-C 3.35Å; K160-M237 PolarHBondContact NZ-O 3.08Å; K160-F239 WeakPolarHBondContact CE-O 3.34Å; K160-F239 VanDerWaalsContact NZ-CB 3.28Å; K160-F239 PolarHBondContact NZ-O 3.44Å
161E77.4Confident86.5Confident173 Ų17361.7 Ų61.781%0.80832%0.32SS*.THydrogen-bonded Turntrans-66.1-27.7176.5-54.691-17400111.6P159P159-E161 VanDerWaalsContact CB-OE2 3.25Å; P159-E161 WeakPolarHBondContact CB-OE2 3.36Å; P159-E161 PolarHBondContact O-N 2.96Å
162H81.3Confident86.5Confident153 Ų15366.7 Ų66.771%0.70835%0.347SS*.THydrogen-bonded Turntrans-90.6-36.6-178.5-169.358.1000112.8P159 K160P159-H162 PolarHBondContact O-N 3.47Å; P159-H162 VanDerWaalsContact O-N 3.07Å; K160-H162 PolarHBondContact O-N 3.09Å
163T81.3Confident86.6Confident43 Ų4369.9 Ų69.926%0.26436%0.362SS..SBendtrans-129.4104-178.154.90000110.4P158 P159P158-T163 HydrophobicContact CB-CG2 4.12Å; P158-T163 HydrophobicContact CG-CG2 4.06Å; P158-T163 VanDerWaalsContact CG-OG1 3.23Å; P158-T163 WeakPolarHBondContact CG-OG1 3.25Å; P159-T163 PolarHBondContact O-N 3.29Å; P159-T163 PolarHBondContact O-OG1 3.39Å
164P84.9Confident86.7Confident93 Ų9374 Ų7460%0.60438%0.38SS*.PPolyproline II helixtrans-68.2163.6177.628.9-34.4000111.8
165P87.9Confident86.8Confident42 Ų4279.7 Ų79.727%0.27341%0.41SS..PPolyproline II helixtrans-55.3145.3174.8-22.832.6000112.1V234P165-V234 WeakPolarHBondContact CB-O 3.46Å; P165-V234 WeakPolarHBondContact CG-O 3.22Å
166L89.4Confident86.9Confident83 Ų8381.8 Ų81.844%0.43542%0.417SS..PPolyproline II helixtrans-69.8146.4175.6-69.2166.8000110.4D168 L232 P233 Y326L166-D168 PolarHBondContact O-N 3.41Å; L166-L232 HydrophobicContact CD1-CD2 4.36Å; L166-P233 HydrophobicContact CD1-CG 4Å; L166-P233 HydrophobicContact CG-CG 3.8Å; L166-Y326 HydrophobicContact CB-CE1 3.86Å; L166-Y326 PolarHBondContact N-OH 3.31Å
167P89.6Confident87.2Confident123 Ų12381.5 Ų81.580%0.79942%0.416SS*.PPolyproline II helixtrans-65.2128.1175.527.4-33.4000109.9
168D91.7Very high87.2Confident16 Ų1687.8 Ų87.89%0.08645%0.445CS..  trans-128.6127.1178-167.9-55.8000109.6L166 F170 F171 D172 Y326 T327L166-D168 PolarHBondContact O-N 3.41Å; D168-F170 PolarHBondContact O-N 2.96Å; D168-F170 VanDerWaalsContact O-N 3.17Å; D168-F170 WeakPolarHBondContact OD1-CB 3.47Å; D168-F170 PolarHBondContact OD1-N 3.43Å; D168-F171 HydrophobicContact CB-CB 4.23Å; D168-F171 HydrophobicContact CB-CD1 4.37Å; D168-F171 HydrophobicContact CB-CD2 3.54Å; D168-F171 HydrophobicContact CB-CE2 3.91Å; D168-F171 HydrophobicContact CB-CG 3.79Å; D168-F171 HydrophobicContact CB-CZ 4.46Å; D168-F171 PolarHBondContact O-N 3.32Å; D168-D172 PolarHBondContact O-N 3Å; D168-Y326 HydrophobicContact CB-CD1 4.25Å; D168-T327 VanDerWaalsContact CG-OG1 3.29Å; D168-T327 WeakPolarHBondContact OD1-CB 3.19Å; D168-T327 PolarHBondContact OD1-OG1 3.3Å; D168-T327 WeakPolarHBondContact OD2-CB 3.45Å; D168-T327 PolarHBondContact OD2-N 3.16Å; D168-T327 PolarHBondContact OD2-OG1 3.48Å
169K92Very high87.6Confident146 Ų14692.8 Ų92.864%0.63546%0.458SS*.Hα-helixtrans-62.9-28-173.9-168.254.7174.1174.80113L173K169-L173 WeakPolarHBondContact O-CG 3.27Å
170F91.7Very high88.2Confident28 Ų2889.6 Ų89.612%0.12344%0.438CS..Hα-helixtrans-71.9-38.1176.1-171.6-83.7000111.3D168 D172 L173 F174 F317 L320 T327D168-F170 PolarHBondContact O-N 2.96Å; D168-F170 VanDerWaalsContact O-N 3.17Å; D168-F170 WeakPolarHBondContact OD1-CB 3.47Å; D168-F170 PolarHBondContact OD1-N 3.43Å; F170-D172 VanDerWaalsContact C-N 3.27Å; F170-D172 PolarHBondContact O-N 3.04Å; F170-L173 PolarHBondContact O-N 3.12Å; F170-L173 VanDerWaalsContact O-N 3.1Å; F170-F174 HydrophobicContact CD1-CB 4.37Å; F170-F174 HydrophobicContact CD1-CD2 4.19Å; F170-F174 HydrophobicContact CD2-CD2 4.02Å; F170-F174 HydrophobicContact CD2-CE2 4.33Å; F170-F174 HydrophobicContact CE1-CB 3.88Å; F170-F174 AromaticContact CE1-CD2 3.79Å; F170-F174 HydrophobicContact CE1-CD2 3.79Å; F170-F174 HydrophobicContact CE1-CG 4.1Å; F170-F174 AromaticContact CE2-CD2 3.62Å; F170-F174 HydrophobicContact CE2-CD2 3.62Å; F170-F174 AromaticContact CE2-CE2 3.81Å; F170-F174 HydrophobicContact CE2-CE2 3.81Å; F170-F174 HydrophobicContact CG-CD2 4.29Å; F170-F174 HydrophobicContact CZ-CB 4.31Å; F170-F174 AromaticContact CZ-CD2 3.5Å; F170-F174 HydrophobicContact CZ-CD2 3.5Å; F170-F174 VanDerWaalsContact CZ-CD2 3.5Å; F170-F174 HydrophobicContact CZ-CE2 4.03Å; F170-F174 HydrophobicContact CZ-CG 4.03Å; F170-F174 PolarHBondContact O-N 2.69Å; F170-F317 HydrophobicContact CE2-CD2 4.36Å; F170-F317 HydrophobicContact CE2-CE2 4.01Å; F170-F317 HydrophobicContact CZ-CD2 4.19Å; F170-F317 AromaticContact CZ-CE2 3.75Å; F170-F317 HydrophobicContact CZ-CE2 3.75Å; F170-F317 HydrophobicContact CZ-CZ 4.38Å; F170-L320 HydrophobicContact CD1-CB 3.76Å; F170-L320 HydrophobicContact CD2-CB 4.41Å; F170-L320 HydrophobicContact CD2-CD1 4.07Å; F170-L320 HydrophobicContact CE1-CB 3.45Å; F170-L320 VanDerWaalsContact CE1-CB 3.45Å; F170-L320 HydrophobicContact CE2-CB 4.13Å; F170-L320 HydrophobicContact CE2-CD1 4.05Å; F170-L320 HydrophobicContact CG-CB 4.24Å; F170-L320 HydrophobicContact CG-CD1 4.43Å; F170-L320 HydrophobicContact CZ-CB 3.65Å; F170-L320 HydrophobicContact CZ-CD1 4.41Å; F170-T327 WeakPolarHBondContact CB-OG1 3.37Å
171F90.4Very high88.7Confident28 Ų2888.5 Ų88.512%0.12343%0.433CS..Hα-helixtrans-68.3-29.3178.9-59-11.5000111.8D168 L173 P235 H323 H325 Y326D168-F171 HydrophobicContact CB-CB 4.23Å; D168-F171 HydrophobicContact CB-CD1 4.37Å; D168-F171 HydrophobicContact CB-CD2 3.54Å; D168-F171 HydrophobicContact CB-CE2 3.91Å; D168-F171 HydrophobicContact CB-CG 3.79Å; D168-F171 HydrophobicContact CB-CZ 4.46Å; D168-F171 PolarHBondContact O-N 3.32Å; F171-L173 VanDerWaalsContact C-N 3.28Å; F171-L173 PolarHBondContact O-N 3.09Å; F171-P235 HydrophobicContact CE2-CB 3.92Å; F171-P235 HydrophobicContact CZ-CB 4.17Å; F171-H323 HydrophobicContact CD1-CB 4.37Å; F171-H323 AromaticContact CD1-CD2 3.41Å; F171-H323 VanDerWaalsContact CD1-CD2 3.41Å; F171-H323 WeakPolarHBondContact CD1-CD2 3.31Å; F171-H323 AromaticContact CD1-CG 3.81Å; F171-H323 AromaticContact CD1-NE2 3.7Å; F171-H323 HydrophobicContact CE1-CB 4.09Å; F171-H323 AromaticContact CE1-CD2 3.77Å; F171-H323 HydrophobicContact CZ-CB 4.18Å; F171-H325 WeakPolarHBondContact CZ-O 3.4Å; F171-Y326 AromaticContact CE2-CD1 3.86Å; F171-Y326 HydrophobicContact CE2-CD1 3.86Å; F171-Y326 HydrophobicContact CE2-CE1 4.11Å; F171-Y326 HydrophobicContact CZ-CD1 4.34Å
172D90.1Very high89.4Confident108 Ų10882.9 Ų82.958%0.57841%0.413SS*.Hα-helixtrans-67.7-27.5171.8-61.3-22.6000113.1D168 F170D168-D172 PolarHBondContact O-N 3Å; F170-D172 VanDerWaalsContact C-N 3.27Å; F170-D172 PolarHBondContact O-N 3.04Å
173L92.6Very high90Very high118 Ų11878.7 Ų78.762%0.61840%0.395SS*.Hα-helixtrans-93.7-33.9-174.6-70.9171.8000112.8K169 F170 F171K169-L173 WeakPolarHBondContact O-CG 3.27Å; F170-L173 PolarHBondContact O-N 3.12Å; F170-L173 VanDerWaalsContact O-N 3.1Å; F171-L173 VanDerWaalsContact C-N 3.28Å; F171-L173 PolarHBondContact O-N 3.09Å
174F91.8Very high90.6Very high87 Ų8776.7 Ų76.738%0.38238%0.383SS..SBendtrans-126.5123.6-174.4-68-80000111.3F170 F317 L321 H323F170-F174 HydrophobicContact CD1-CB 4.37Å; F170-F174 HydrophobicContact CD1-CD2 4.19Å; F170-F174 HydrophobicContact CD2-CD2 4.02Å; F170-F174 HydrophobicContact CD2-CE2 4.33Å; F170-F174 HydrophobicContact CE1-CB 3.88Å; F170-F174 AromaticContact CE1-CD2 3.79Å; F170-F174 HydrophobicContact CE1-CD2 3.79Å; F170-F174 HydrophobicContact CE1-CG 4.1Å; F170-F174 AromaticContact CE2-CD2 3.62Å; F170-F174 HydrophobicContact CE2-CD2 3.62Å; F170-F174 AromaticContact CE2-CE2 3.81Å; F170-F174 HydrophobicContact CE2-CE2 3.81Å; F170-F174 HydrophobicContact CG-CD2 4.29Å; F170-F174 HydrophobicContact CZ-CB 4.31Å; F170-F174 AromaticContact CZ-CD2 3.5Å; F170-F174 HydrophobicContact CZ-CD2 3.5Å; F170-F174 VanDerWaalsContact CZ-CD2 3.5Å; F170-F174 HydrophobicContact CZ-CE2 4.03Å; F170-F174 HydrophobicContact CZ-CG 4.03Å; F170-F174 PolarHBondContact O-N 2.69Å; F174-F317 HydrophobicContact CE1-CZ 4.48Å; F174-L321 HydrophobicContact CB-CD1 4.03Å; F174-L321 HydrophobicContact CD1-CD1 4.46Å; F174-L321 HydrophobicContact CG-CD1 4.5Å; F174-H323 PolarHBondContact O-CE1 2.9Å; F174-H323 PolarHBondContact O-NE2 3.5Å
175D90.4Very high90.9Very high123 Ų12372.4 Ų72.466%0.65836%0.355SS*.  trans-67.3146.8170.7-66.5-41.1000111.8R177D175-R177 PolarHBondContact O-N 2.87Å
176R89.8Confident91.2Very high76 Ų7674.5 Ų74.529%0.28736%0.363SS..  trans-56.9135.6177.9180169171.6-106.6-3.5112E178 H238 L321 A322 H323R176-E178 IonicContact CZ-OE1 3.35Å; R176-E178 IonicContact NH1-OE1 3.47Å; R176-E178 PolarHBondContact NH1-OE1 3.44Å; R176-E178 IonicContact NH2-OE1 3.69Å; R176-H238 VanDerWaalsContact CD-CE1 3.47Å; R176-H238 WeakPolarHBondContact CD-CE1 3.41Å; R176-H238 WeakPolarHBondContact CD-ND1 3.44Å; R176-H238 VanDerWaalsContact CZ-CB 3.5Å; R176-H238 PolarHBondContact NE-CD2 2.66Å; R176-H238 PolarHBondContact NE-CE1 2.99Å; R176-H238 VanDerWaalsContact NE-CE1 3.27Å; R176-H238 VanDerWaalsContact NE-CG 3.27Å; R176-H238 PolarHBondContact NE-ND1 2.96Å; R176-H238 PolarHBondContact NE-NE2 3.09Å; R176-H238 VanDerWaalsContact NE-NE2 3.18Å; R176-H238 PolarHBondContact NH2-CD2 3.47Å; R176-L321 WeakPolarHBondContact CA-O 3.4Å; R176-A322 WeakPolarHBondContact CD-O 3.47Å; R176-A322 WeakPolarHBondContact CG-O 2.99Å; R176-A322 PolarHBondContact NE-O 3.31Å; R176-H323 HydrophobicContact CG-CB 4.45Å; R176-H323 PolarHBondContact N-CE1 3.42Å
177R91.8Very high91.5Very high121 Ų12171.7 Ų71.746%0.45735%0.348SS..  trans-120.1117.5167.1-59.5-61.8-174.4-142.70.5110.7D175 W179 A180 L321D175-R177 PolarHBondContact O-N 2.87Å; R177-W179 VanDerWaalsContact C-N 3.34Å; R177-W179 HydrophobicContact CB-CD2 4.34Å; R177-W179 HydrophobicContact CB-CZ2 4.05Å; R177-W179 HydrophobicContact CG-CZ2 4.06Å; R177-W179 PolarHBondContact O-N 3.19Å; R177-A180 HydrophobicContact CB-CB 4.14Å; R177-A180 VanDerWaalsContact O-CB 3.28Å; R177-A180 WeakPolarHBondContact O-CB 3.4Å; R177-A180 PolarHBondContact O-N 3.36Å; R177-A180 VanDerWaalsContact O-N 3.16Å; R177-L321 HydrophobicContact CB-CD2 4.14Å; R177-L321 HydrophobicContact CB-CG 3.98Å; R177-L321 HydrophobicContact CG-CD1 4.09Å; R177-L321 HydrophobicContact CG-CD2 3.94Å; R177-L321 HydrophobicContact CG-CG 3.87Å; R177-L321 PolarHBondContact N-O 3.01Å
178E86.6Confident91.7Very high139 Ų13966.5 Ų66.565%0.6532%0.317SS*.Hα-helixtrans-68.3-31.2-173.2-50.1-162.4136.700113.4R176 A180R176-E178 IonicContact CZ-OE1 3.35Å; R176-E178 IonicContact NH1-OE1 3.47Å; R176-E178 PolarHBondContact NH1-OE1 3.44Å; R176-E178 IonicContact NH2-OE1 3.69Å; E178-A180 VanDerWaalsContact C-N 3.25Å; E178-A180 PolarHBondContact O-N 3.45Å
179W89.4Confident91.8Very high145 Ų14569.7 Ų69.755%0.54933%0.333SS..Hα-helixtrans-73-17.2176.853.9-103.7000113.3R177 F181 S182 I183 L321R177-W179 VanDerWaalsContact C-N 3.34Å; R177-W179 HydrophobicContact CB-CD2 4.34Å; R177-W179 HydrophobicContact CB-CZ2 4.05Å; R177-W179 HydrophobicContact CG-CZ2 4.06Å; R177-W179 PolarHBondContact O-N 3.19Å; W179-F181 VanDerWaalsContact C-N 3.33Å; W179-F181 PolarHBondContact O-N 3.14Å; W179-S182 PolarHBondContact O-N 3.36Å; W179-I183 HydrophobicContact CE3-CD1 3.38Å; W179-I183 HydrophobicContact CE3-CG1 4.13Å; W179-I183 HydrophobicContact CZ3-CD1 3.6Å; W179-I183 PolarHBondContact O-N 2.97Å; W179-L321 HydrophobicContact CH2-CD2 4.17Å
180A93Very high91.9Very high0 Ų066.9 Ų66.90%032%0.324CS..Hα-helixtrans-64-40.3-172.400000111.4R177 E178 S182 I183 C184 C318 L321 A322R177-A180 HydrophobicContact CB-CB 4.14Å; R177-A180 VanDerWaalsContact O-CB 3.28Å; R177-A180 WeakPolarHBondContact O-CB 3.4Å; R177-A180 PolarHBondContact O-N 3.36Å; R177-A180 VanDerWaalsContact O-N 3.16Å; E178-A180 VanDerWaalsContact C-N 3.25Å; E178-A180 PolarHBondContact O-N 3.45Å; A180-S182 PolarHBondContact O-N 3.18Å; A180-I183 PolarHBondContact O-N 3.39Å; A180-C184 PolarHBondContact O-N 3.05Å; A180-C318 HydrophobicContact CB-CB 4.26Å; A180-C318 WeakPolarHBondContact CB-O 3.48Å; A180-C318 WeakPolarHBondContact O-CB 3.45Å; A180-L321 HydrophobicContact CB-CB 4.03Å; A180-L321 HydrophobicContact CB-CD2 4.1Å; A180-L321 HydrophobicContact CB-CG 4.14Å; A180-A322 HydrophobicContact CB-CB 4.22Å
181F90.4Very high92.2Very high13 Ų1365.6 Ų65.66%0.05732%0.319CS..Hα-helixtrans-63.3-43.4-179.6-164.8-105.8000112.3W179 I183 C184 E185 S266 H282 A322 D324W179-F181 VanDerWaalsContact C-N 3.33Å; W179-F181 PolarHBondContact O-N 3.14Å; F181-I183 VanDerWaalsContact C-N 3.29Å; F181-I183 PolarHBondContact O-N 3.46Å; F181-C184 WeakPolarHBondContact O-CA 3.45Å; F181-C184 VanDerWaalsContact O-CB 3.3Å; F181-C184 WeakPolarHBondContact O-CB 3.49Å; F181-C184 PolarHBondContact O-N 3.48Å; F181-C184 VanDerWaalsContact O-N 3.08Å; F181-E185 HydrophobicContact CD1-CG 4.17Å; F181-E185 VanDerWaalsContact CE1-CD 3.45Å; F181-E185 HydrophobicContact CE1-CG 3.82Å; F181-E185 VanDerWaalsContact CE1-OE1 3.3Å; F181-E185 WeakPolarHBondContact CE1-OE1 3.32Å; F181-E185 HydrophobicContact CZ-CG 4.31Å; F181-E185 PolarHBondContact O-N 3.38Å; F181-S266 VanDerWaalsContact CE1-CB 3.44Å; F181-H282 AromaticContact CZ-CE1 3.79Å; F181-A322 HydrophobicContact CB-CB 3.7Å; F181-A322 HydrophobicContact CD2-CB 4.25Å; F181-A322 HydrophobicContact CG-CB 4.45Å; F181-D324 HydrophobicContact CD2-CB 3.75Å; F181-D324 WeakPolarHBondContact CD2-OD2 3.33Å; F181-D324 HydrophobicContact CE2-CB 3.91Å; F181-D324 VanDerWaalsContact CE2-OD2 3.27Å; F181-D324 WeakPolarHBondContact CE2-OD2 3.39Å; F181-D324 WeakPolarHBondContact CG-OD2 3.29Å
182S91.3Very high92.4Very high56 Ų5666.4 Ų66.439%0.39233%0.325SS..Hα-helixtrans-60.8-38.3176.2-55.90000112.3W179 A180 E185 I186W179-S182 PolarHBondContact O-N 3.36Å; A180-S182 PolarHBondContact O-N 3.18Å; S182-E185 PolarHBondContact O-N 2.91Å; S182-I186 WeakPolarHBondContact O-CD1 2.99Å; S182-I186 VanDerWaalsContact O-CG1 3.26Å; S182-I186 WeakPolarHBondContact O-CG1 3.24Å; S182-I186 PolarHBondContact O-N 2.61Å
183I93.4Very high92.6Very high64 Ų6462.6 Ų62.633%0.32831%0.312SS..Hα-helixtrans-64.7-40.4174.4-65.4-173.2000111.1W179 A180 F181 E185 I186 N187W179-I183 HydrophobicContact CE3-CD1 3.38Å; W179-I183 HydrophobicContact CE3-CG1 4.13Å; W179-I183 HydrophobicContact CZ3-CD1 3.6Å; W179-I183 PolarHBondContact O-N 2.97Å; A180-I183 PolarHBondContact O-N 3.39Å; F181-I183 VanDerWaalsContact C-N 3.29Å; F181-I183 PolarHBondContact O-N 3.46Å; I183-E185 PolarHBondContact O-N 2.81Å; I183-I186 PolarHBondContact O-N 3.01Å; I183-N187 WeakPolarHBondContact O-CB 3.42Å; I183-N187 VanDerWaalsContact O-CG 3.29Å; I183-N187 PolarHBondContact O-N 3.48Å
184C93.4Very high92.8Very high1 Ų159.4 Ų59.41%0.00730%0.295CS..Hα-helixtrans-57.1-49.2173.6165.90000111.4A180 F181 I186 N187 G188 C318 I319A180-C184 PolarHBondContact O-N 3.05Å; F181-C184 WeakPolarHBondContact O-CA 3.45Å; F181-C184 VanDerWaalsContact O-CB 3.3Å; F181-C184 WeakPolarHBondContact O-CB 3.49Å; F181-C184 PolarHBondContact O-N 3.48Å; F181-C184 VanDerWaalsContact O-N 3.08Å; C184-I186 PolarHBondContact O-N 2.97Å; C184-N187 PolarHBondContact O-N 3.2Å; C184-G188 PolarHBondContact O-N 2.91Å; C184-C318 HydrophobicContact CB-CB 3.94Å; C184-I319 HydrophobicContact CB-CG1 4.1Å; C184-I319 WeakPolarHBondContact SG-CG1 3.45Å
185E92.5Very high92.9Very high3 Ų355.3 Ų55.31%0.01428%0.277CS..Hα-helixtrans-63.4-41.5-179.5-65.8-169.5133.200112.2F181 S182 I183 G188 M189 L265 S266 I267 H282F181-E185 HydrophobicContact CD1-CG 4.17Å; F181-E185 VanDerWaalsContact CE1-CD 3.45Å; F181-E185 HydrophobicContact CE1-CG 3.82Å; F181-E185 VanDerWaalsContact CE1-OE1 3.3Å; F181-E185 WeakPolarHBondContact CE1-OE1 3.32Å; F181-E185 HydrophobicContact CZ-CG 4.31Å; F181-E185 PolarHBondContact O-N 3.38Å; S182-E185 PolarHBondContact O-N 2.91Å; I183-E185 PolarHBondContact O-N 2.81Å; E185-G188 PolarHBondContact O-N 3.46Å; E185-M189 WeakPolarHBondContact O-CG 3.43Å; E185-M189 PolarHBondContact O-N 3.48Å; E185-L265 HydrophobicContact CG-CD2 4.39Å; E185-L265 WeakPolarHBondContact OE1-CA 3.24Å; E185-S266 WeakPolarHBondContact OE1-CA 3.31Å; E185-S266 WeakPolarHBondContact OE1-CB 3.33Å; E185-S266 PolarHBondContact OE1-N 3.46Å; E185-I267 VanDerWaalsContact OE2-CB 3.32Å; E185-I267 WeakPolarHBondContact OE2-CB 3.43Å; E185-I267 PolarHBondContact OE2-N 2.81Å; E185-H282 IonicContact OE1-NE2 2.82Å
186I93.6Very high93.1Very high87 Ų8753.2 Ų53.245%0.44627%0.266SS..Hα-helixtrans-61.7-47.3175.2-67.8164.9000110.9S182 I183 C184 G188 M189 L190S182-I186 WeakPolarHBondContact O-CD1 2.99Å; S182-I186 VanDerWaalsContact O-CG1 3.26Å; S182-I186 WeakPolarHBondContact O-CG1 3.24Å; S182-I186 PolarHBondContact O-N 2.61Å; I183-I186 PolarHBondContact O-N 3.01Å; C184-I186 PolarHBondContact O-N 2.97Å; I186-G188 VanDerWaalsContact C-N 3.3Å; I186-G188 PolarHBondContact O-N 3.36Å; I186-M189 HydrophobicContact CG1-CE 4.21Å; I186-M189 PolarHBondContact O-N 2.96Å; I186-L190 WeakPolarHBondContact O-CB 3.49Å; I186-L190 PolarHBondContact O-N 2.89Å
187N95Very high93.3Very high23 Ų2354.6 Ų54.612%0.12328%0.278CS..Hα-helixtrans-61.5-39.6176.7-74.8-15000111.6I183 C184 L190 L191I183-N187 WeakPolarHBondContact O-CB 3.42Å; I183-N187 VanDerWaalsContact O-CG 3.29Å; I183-N187 PolarHBondContact O-N 3.48Å; C184-N187 PolarHBondContact O-N 3.2Å; N187-L190 PolarHBondContact O-N 2.87Å; N187-L191 VanDerWaalsContact O-CB 3.26Å; N187-L191 WeakPolarHBondContact O-CB 3.11Å; N187-L191 PolarHBondContact O-N 2.94Å
188G94.1Very high93.2Very high15 Ų1549.4 Ų49.416%0.15526%0.258CS..Hα-helixtrans-62.7-49.3175.300000112.6C184 E185 I186 L190 L191 V192C184-G188 PolarHBondContact O-N 2.91Å; E185-G188 PolarHBondContact O-N 3.46Å; I186-G188 VanDerWaalsContact C-N 3.3Å; I186-G188 PolarHBondContact O-N 3.36Å; G188-L190 VanDerWaalsContact C-N 3.35Å; G188-L190 PolarHBondContact O-N 3.38Å; G188-L191 PolarHBondContact O-N 3.35Å; G188-V192 WeakPolarHBondContact O-CB 3.23Å; G188-V192 WeakPolarHBondContact O-CG2 3.46Å; G188-V192 PolarHBondContact O-N 3.38Å
189M93.8Very high93.5Very high83 Ų8344.9 Ų44.941%0.40924%0.235SC..Hα-helixtrans-60.4-43.4175.9-72.1-172.8-66.700111.8E185 I186 G193 L265 I267E185-M189 WeakPolarHBondContact O-CG 3.43Å; E185-M189 PolarHBondContact O-N 3.48Å; I186-M189 HydrophobicContact CG1-CE 4.21Å; I186-M189 PolarHBondContact O-N 2.96Å; M189-G193 PolarHBondContact O-N 3.19Å; M189-L265 HydrophobicContact CG-CD1 4.09Å; M189-L265 HydrophobicContact SD-CD1 3.9Å; M189-I267 HydrophobicContact CE-CD1 4.4Å; M189-I267 HydrophobicContact CE-CG2 4.47Å
190L95.6Very high93.5Very high87 Ų8742.9 Ų42.946%0.45523%0.233SC..Hα-helixtrans-61.4-47176.1178.461.6000111.3I186 N187 G188 G193 L194 L311I186-L190 WeakPolarHBondContact O-CB 3.49Å; I186-L190 PolarHBondContact O-N 2.89Å; N187-L190 PolarHBondContact O-N 2.87Å; G188-L190 VanDerWaalsContact C-N 3.35Å; G188-L190 PolarHBondContact O-N 3.38Å; L190-G193 PolarHBondContact O-N 2.95Å; L190-L194 HydrophobicContact CD1-CG 4.45Å; L190-L194 HydrophobicContact CG-CD1 4.35Å; L190-L194 WeakPolarHBondContact O-CG 3.28Å; L190-L194 PolarHBondContact O-N 3.42Å; L190-L311 HydrophobicContact CD2-CD1 3.77Å; L190-L311 HydrophobicContact CD2-CD2 3.97Å; L190-L311 HydrophobicContact CG-CD1 4.18Å
191L96.1Very high93.3Very high1 Ų145.3 Ų45.31%0.00525%0.246CC..Hα-helixtrans-64.5-43.1-179.3-170.866.7000111.8N187 G188 L194 W195 L286 T289 F290 I293 C308N187-L191 VanDerWaalsContact O-CB 3.26Å; N187-L191 WeakPolarHBondContact O-CB 3.11Å; N187-L191 PolarHBondContact O-N 2.94Å; G188-L191 PolarHBondContact O-N 3.35Å; L191-L194 PolarHBondContact O-N 2.99Å; L191-W195 PolarHBondContact O-N 2.95Å; L191-L286 HydrophobicContact CD2-CD2 4.14Å; L191-L286 VanDerWaalsContact CD2-O 3.31Å; L191-L286 WeakPolarHBondContact CD2-O 3.41Å; L191-T289 HydrophobicContact CD2-CG2 4.35Å; L191-T289 HydrophobicContact CG-CG2 3.85Å; L191-T289 WeakPolarHBondContact O-CG2 3.47Å; L191-F290 HydrophobicContact CD2-CB 4.3Å; L191-I293 HydrophobicContact CD1-CD1 3.61Å; L191-I293 HydrophobicContact CG-CD1 4.16Å; L191-C308 HydrophobicContact CD1-CB 3.82Å
192V95.4Very high93.1Very high44 Ų4445.2 Ų45.227%0.26725%0.246SC..Hα-helixtrans-63.6-41.8173.9171.90000110.8G188 W195 L196 M285 T289G188-V192 WeakPolarHBondContact O-CB 3.23Å; G188-V192 WeakPolarHBondContact O-CG2 3.46Å; G188-V192 PolarHBondContact O-N 3.38Å; V192-W195 WeakPolarHBondContact O-CB 3.41Å; V192-W195 PolarHBondContact O-N 3.09Å; V192-L196 HydrophobicContact CG1-CD1 4.16Å; V192-L196 HydrophobicContact CG1-CG 4.35Å; V192-L196 WeakPolarHBondContact O-CG 3.33Å; V192-L196 PolarHBondContact O-N 3.49Å; V192-M285 HydrophobicContact CG2-CE 4.39Å; V192-T289 HydrophobicContact CG2-CG2 4.28Å
193G95.3Very high92.6Very high29 Ų2947.5 Ų47.530%0.29925%0.249SC..Hα-helixtrans-58.9-47.3174.700000112.5M189 L190 W195 L196 I197M189-G193 PolarHBondContact O-N 3.19Å; L190-G193 PolarHBondContact O-N 2.95Å; G193-W195 VanDerWaalsContact C-N 3.32Å; G193-W195 PolarHBondContact O-N 2.92Å; G193-L196 PolarHBondContact O-N 3.1Å; G193-I197 VanDerWaalsContact O-CG1 3.31Å; G193-I197 WeakPolarHBondContact O-CG1 3.17Å; G193-I197 PolarHBondContact O-N 3.28Å
194L95.3Very high92.2Very high50 Ų5045.6 Ų45.626%0.26224%0.239SC..Hα-helixtrans-59.8-41.7175.2-70.7173.2000112L190 L191 I197 Q198 Y304 L311L190-L194 HydrophobicContact CD1-CG 4.45Å; L190-L194 HydrophobicContact CG-CD1 4.35Å; L190-L194 WeakPolarHBondContact O-CG 3.28Å; L190-L194 PolarHBondContact O-N 3.42Å; L191-L194 PolarHBondContact O-N 2.99Å; L194-I197 PolarHBondContact O-N 3.46Å; L194-Q198 WeakPolarHBondContact O-CB 3.31Å; L194-Q198 PolarHBondContact O-N 2.93Å; L194-Y304 HydrophobicContact CD1-CE2 4.45Å; L194-L311 HydrophobicContact CD1-CD1 4.22Å
195W95.4Very high92Very high2 Ų250.7 Ų50.71%0.00826%0.258CS..Hα-helixtrans-62.4-46.1174.7166-118.5000112.6L191 V192 G193 I197 Q198 W199 V208 F212 T289 F292 I293 Y296L191-W195 PolarHBondContact O-N 2.95Å; V192-W195 WeakPolarHBondContact O-CB 3.41Å; V192-W195 PolarHBondContact O-N 3.09Å; G193-W195 VanDerWaalsContact C-N 3.32Å; G193-W195 PolarHBondContact O-N 2.92Å; W195-I197 VanDerWaalsContact C-N 3.32Å; W195-I197 PolarHBondContact O-N 3.47Å; W195-Q198 PolarHBondContact O-N 2.74Å; W195-W199 HydrophobicContact CZ2-CB 4.37Å; W195-W199 WeakPolarHBondContact O-CB 3.43Å; W195-W199 PolarHBondContact O-N 3.35Å; W195-V208 HydrophobicContact CH2-CG1 3.57Å; W195-V208 HydrophobicContact CZ2-CG1 4.08Å; W195-F212 AromaticContact CE2-CD2 3.94Å; W195-F212 HydrophobicContact CZ2-CB 4.32Å; W195-F212 AromaticContact CZ2-CD2 3.98Å; W195-F212 HydrophobicContact CZ2-CD2 3.98Å; W195-F212 HydrophobicContact CZ2-CG 4.21Å; W195-F212 AromaticContact NE1-CD2 3.58Å; W195-F212 AromaticContact NE1-CE1 3.93Å; W195-F212 AromaticContact NE1-CE2 3.47Å; W195-F212 AromaticContact NE1-CG 3.88Å; W195-F212 AromaticContact NE1-CZ 3.65Å; W195-T289 HydrophobicContact CB-CG2 3.4Å; W195-T289 HydrophobicContact CG-CG2 3.91Å; W195-F292 HydrophobicContact CD2-CB 4.22Å; W195-F292 HydrophobicContact CE3-CB 4.01Å; W195-F292 HydrophobicContact CH2-CB 3.71Å; W195-F292 AromaticContact CH2-CD1 3.55Å; W195-F292 HydrophobicContact CH2-CD1 3.55Å; W195-F292 HydrophobicContact CH2-CG 4.03Å; W195-F292 HydrophobicContact CZ2-CB 3.92Å; W195-F292 AromaticContact CZ2-CD1 3.7Å; W195-F292 HydrophobicContact CZ2-CD1 3.7Å; W195-F292 HydrophobicContact CZ2-CG 4.03Å; W195-F292 HydrophobicContact CZ3-CB 3.76Å; W195-F292 HydrophobicContact CZ3-CD1 4.38Å; W195-I293 HydrophobicContact CB-CD1 3.95Å; W195-I293 HydrophobicContact CB-CG1 3.85Å; W195-I293 HydrophobicContact CD2-CG1 4.47Å; W195-I293 HydrophobicContact CE3-CG1 3.86Å; W195-Y296 HydrophobicContact CH2-CD2 4.14Å; W195-Y296 HydrophobicContact CZ3-CD2 4.46Å
196L94.2Very high91.8Very high78 Ų7850.7 Ų50.741%0.40826%0.258SS..Hα-helixtrans-61.9-41.9178.5-69.8175.2000111.4V192 G193 W199 M200V192-L196 HydrophobicContact CG1-CD1 4.16Å; V192-L196 HydrophobicContact CG1-CG 4.35Å; V192-L196 WeakPolarHBondContact O-CG 3.33Å; V192-L196 PolarHBondContact O-N 3.49Å; G193-L196 PolarHBondContact O-N 3.1Å; L196-W199 HydrophobicContact CD2-CE3 3.84Å; L196-W199 HydrophobicContact CD2-CZ3 4.15Å; L196-W199 PolarHBondContact O-N 2.92Å; L196-M200 VanDerWaalsContact O-CG 3.27Å; L196-M200 WeakPolarHBondContact O-CG 3.32Å; L196-M200 PolarHBondContact O-N 3.22Å
197I92.6Very high91.6Very high106 Ų10646.7 Ų46.754%0.54424%0.238SC..Hα-helixtrans-59.3-50.6173.7-66.5164.5000109.9G193 L194 W195 W199 M200 L201G193-I197 VanDerWaalsContact O-CG1 3.31Å; G193-I197 WeakPolarHBondContact O-CG1 3.17Å; G193-I197 PolarHBondContact O-N 3.28Å; L194-I197 PolarHBondContact O-N 3.46Å; W195-I197 VanDerWaalsContact C-N 3.32Å; W195-I197 PolarHBondContact O-N 3.47Å; I197-W199 VanDerWaalsContact C-N 3.33Å; I197-W199 PolarHBondContact O-N 3.47Å; I197-M200 PolarHBondContact O-N 3.25Å; I197-L201 HydrophobicContact CG2-CD1 4.28Å; I197-L201 WeakPolarHBondContact O-CG 3.01Å; I197-L201 PolarHBondContact O-N 2.9Å
198Q91.6Very high91.5Very high11 Ų1145.6 Ų45.65%0.05123%0.232CC..Hα-helixtrans-57.2-46.5177.3176.7171.6-4400111.6L194 W195 M200 L201 L202 I293 Y296 Y304 Y386L194-Q198 WeakPolarHBondContact O-CB 3.31Å; L194-Q198 PolarHBondContact O-N 2.93Å; W195-Q198 PolarHBondContact O-N 2.74Å; Q198-M200 VanDerWaalsContact C-N 3.33Å; Q198-M200 PolarHBondContact O-N 3.32Å; Q198-L201 PolarHBondContact O-N 3.29Å; Q198-L201 VanDerWaalsContact O-N 3.09Å; Q198-L202 WeakPolarHBondContact O-CG 3.26Å; Q198-L202 PolarHBondContact O-N 3.43Å; Q198-I293 PolarHBondContact NE2-O 3.18Å; Q198-Y296 VanDerWaalsContact NE2-C 3.33Å; Q198-Y296 PolarHBondContact NE2-O 3.39Å; Q198-Y304 PolarHBondContact OE1-OH 3.38Å; Q198-Y386 HydrophobicContact CG-CE1 4.22Å
199W92Very high91.3Very high44 Ų4445 Ų4517%0.16723%0.225CC..Hα-helixtrans-59.9-41.6-179.5173.948.3000112.3W195 L196 I197 L201 L202 R205 F213W195-W199 HydrophobicContact CZ2-CB 4.37Å; W195-W199 WeakPolarHBondContact O-CB 3.43Å; W195-W199 PolarHBondContact O-N 3.35Å; L196-W199 HydrophobicContact CD2-CE3 3.84Å; L196-W199 HydrophobicContact CD2-CZ3 4.15Å; L196-W199 PolarHBondContact O-N 2.92Å; I197-W199 VanDerWaalsContact C-N 3.33Å; I197-W199 PolarHBondContact O-N 3.47Å; W199-L201 PolarHBondContact O-N 3.4Å; W199-L202 WeakPolarHBondContact O-CB 3.37Å; W199-L202 PolarHBondContact O-N 3.49Å; W199-L202 VanDerWaalsContact O-N 3.16Å; W199-R205 PolarHBondContact NE1-O 3.4Å; W199-F213 HydrophobicContact CH2-CE2 4.34Å; W199-F213 HydrophobicContact CH2-CZ 4.18Å; W199-F213 HydrophobicContact CZ2-CE2 4.46Å
200M89.1Confident91.3Very high103 Ų10341 Ų4151%0.50721%0.206SC..Hα-helixtrans-64.6-26.6176.8-70.4-60.6-71.900113.3L196 I197 Q198L196-M200 VanDerWaalsContact O-CG 3.27Å; L196-M200 WeakPolarHBondContact O-CG 3.32Å; L196-M200 PolarHBondContact O-N 3.22Å; I197-M200 PolarHBondContact O-N 3.25Å; Q198-M200 VanDerWaalsContact C-N 3.33Å; Q198-M200 PolarHBondContact O-N 3.32Å
201L88.3Confident91.2Very high52 Ų5237 Ų3727%0.27218%0.184SC..THydrogen-bonded Turntrans-85.8-8.4177.7-60.3174.2000113.4I197 Q198 W199 Y386 Q387 L388 P389I197-L201 HydrophobicContact CG2-CD1 4.28Å; I197-L201 WeakPolarHBondContact O-CG 3.01Å; I197-L201 PolarHBondContact O-N 2.9Å; Q198-L201 PolarHBondContact O-N 3.29Å; Q198-L201 VanDerWaalsContact O-N 3.09Å; W199-L201 PolarHBondContact O-N 3.4Å; L201-Y386 HydrophobicContact CB-CD1 3.82Å; L201-Y386 HydrophobicContact CB-CE1 4.35Å; L201-Y386 CarbonylContact O-C 3.51Å; L201-Y386 VanDerWaalsContact O-CA 3.29Å; L201-Y386 WeakPolarHBondContact O-CA 3.31Å; L201-Q387 PolarHBondContact O-N 2.85Å; L201-L388 HydrophobicContact CD2-CD1 4.41Å; L201-P389 HydrophobicContact CD2-CG 4.17Å
202L86.7Confident91.2Very high10 Ų1037.9 Ų37.95%0.05219%0.188CC..BIsolated β-bridgetrans-77.7133.5-179.7-69.2171.5000111.4Q198 W199 H204 R205 V208 Y296 Y386Q198-L202 WeakPolarHBondContact O-CG 3.26Å; Q198-L202 PolarHBondContact O-N 3.43Å; W199-L202 WeakPolarHBondContact O-CB 3.37Å; W199-L202 PolarHBondContact O-N 3.49Å; W199-L202 VanDerWaalsContact O-N 3.16Å; L202-H204 VanDerWaalsContact C-N 3.31Å; L202-H204 PolarHBondContact O-N 2.89Å; L202-R205 PolarHBondContact O-N 2.89Å; L202-V208 HydrophobicContact CD1-CB 4.22Å; L202-V208 HydrophobicContact CD1-CG1 3.91Å; L202-V208 HydrophobicContact CD1-CG2 4.07Å; L202-Y296 HydrophobicContact CD1-CG 4.42Å; L202-Y386 HydrophobicContact CD2-CD1 4.23Å; L202-Y386 HydrophobicContact CD2-CE1 3.78Å; L202-Y386 HydrophobicContact CD2-CE2 4.34Å; L202-Y386 HydrophobicContact CG-CE1 4.46Å
203K80.9Confident91.2Very high105 Ų10537.5 Ų37.546%0.45718%0.183SC..THydrogen-bonded Turntrans-60.3-40.9176-175.1175.1-177.2-177.20112R205 N385 Q387K203-R205 PolarHBondContact O-N 3.48Å; K203-N385 HydrophobicContact CB-CB 4.19Å; K203-N385 VanDerWaalsContact CB-O 3.26Å; K203-N385 WeakPolarHBondContact CB-O 3.49Å; K203-N385 HydrophobicContact CD-CB 4.2Å; K203-N385 PolarHBondContact N-O 2.98Å; K203-Q387 HydrophobicContact CB-CB 4.13Å; K203-Q387 HydrophobicContact CG-CB 4.44Å
204H85.5Confident91.2Very high24 Ų2436.1 Ų36.111%0.11117%0.169CC..THydrogen-bonded Turntrans-98.641.1-177.9-59.7-73.5000112.8F125 L202 S206 I207 V208 V382F125-H204 AromaticContact CD2-CE1 3.92Å; L202-H204 VanDerWaalsContact C-N 3.31Å; L202-H204 PolarHBondContact O-N 2.89Å; H204-S206 VanDerWaalsContact C-N 3.26Å; H204-S206 PolarHBondContact O-N 3.29Å; H204-S206 VanDerWaalsContact O-N 3.14Å; H204-I207 HydrophobicContact CB-CD1 4.42Å; H204-I207 PolarHBondContact O-N 3.21Å; H204-I207 VanDerWaalsContact O-N 3.16Å; H204-V208 PolarHBondContact O-N 3.24Å; H204-V382 HydrophobicContact CB-CG1 3.86Å
205R88.7Confident91.2Very high108 Ų10833.8 Ų33.841%0.40816%0.157SC..Hα-helixtrans-51.5-35.4-17658.1-173.2165.4172-0.5115.6W129 W199 L202 K203 G209W129-R205 HydrophobicContact CH2-CG 3.79Å; W129-R205 HydrophobicContact CZ2-CG 3.92Å; W199-R205 PolarHBondContact NE1-O 3.4Å; L202-R205 PolarHBondContact O-N 2.89Å; K203-R205 PolarHBondContact O-N 3.48Å; R205-G209 PolarHBondContact O-N 2.98Å
206S88.1Confident91.3Very high2 Ų234.5 Ų34.51%0.01416%0.161CC..Hα-helixtrans-63.5-49.5179.4-168.10000111.2E128 T132 H204 V208 G209 R210E128-S206 PolarHBondContact O-OG 3.25Å; T132-S206 PolarHBondContact OG1-O 2.88Å; T132-S206 PolarHBondContact OG1-OG 3.44Å; H204-S206 VanDerWaalsContact C-N 3.26Å; H204-S206 PolarHBondContact O-N 3.29Å; H204-S206 VanDerWaalsContact O-N 3.14Å; S206-V208 PolarHBondContact O-N 3.42Å; S206-G209 PolarHBondContact O-N 3.33Å; S206-R210 PolarHBondContact O-N 3.4Å
207I90Very high91.3Very high3 Ų330.8 Ų30.82%0.01514%0.142CC..Hα-helixtrans-63.9-44.2-179.9-63165.3000110.6F125 H204 G209 R210 R211 V378 V382F125-I207 HydrophobicContact CB-CD1 3.73Å; F125-I207 HydrophobicContact CD1-CD1 3.84Å; F125-I207 HydrophobicContact CG-CD1 4.2Å; H204-I207 HydrophobicContact CB-CD1 4.42Å; H204-I207 PolarHBondContact O-N 3.21Å; H204-I207 VanDerWaalsContact O-N 3.16Å; I207-G209 PolarHBondContact O-N 2.78Å; I207-R210 WeakPolarHBondContact O-CG 3.34Å; I207-R211 WeakPolarHBondContact O-CG 3.39Å; I207-R211 PolarHBondContact O-N 2.87Å; I207-V378 HydrophobicContact CD1-CG2 3.61Å; I207-V378 HydrophobicContact CG1-CG2 3.94Å; I207-V378 HydrophobicContact CG2-CG2 4.25Å; I207-V382 HydrophobicContact CG2-CG2 3.8Å
208V91.9Very high91.4Very high1 Ų125.7 Ų25.71%0.00612%0.116CC..Hα-helixtrans-67.8-39.1179.9-178.60000111.4W195 L202 H204 S206 R211 F212 Y296W195-V208 HydrophobicContact CH2-CG1 3.57Å; W195-V208 HydrophobicContact CZ2-CG1 4.08Å; L202-V208 HydrophobicContact CD1-CB 4.22Å; L202-V208 HydrophobicContact CD1-CG1 3.91Å; L202-V208 HydrophobicContact CD1-CG2 4.07Å; H204-V208 PolarHBondContact O-N 3.24Å; S206-V208 PolarHBondContact O-N 3.42Å; V208-R211 PolarHBondContact O-N 3.16Å; V208-F212 PolarHBondContact O-N 2.9Å; V208-Y296 HydrophobicContact CB-CE1 4.45Å; V208-Y296 HydrophobicContact CG1-CD1 4.2Å; V208-Y296 HydrophobicContact CG1-CD2 3.86Å; V208-Y296 HydrophobicContact CG1-CE1 4.21Å; V208-Y296 HydrophobicContact CG1-CE2 3.87Å; V208-Y296 HydrophobicContact CG1-CG 4.02Å; V208-Y296 HydrophobicContact CG2-CD1 3.74Å; V208-Y296 HydrophobicContact CG2-CE1 3.51Å; V208-Y296 HydrophobicContact CG2-CG 4.38Å
209G90.9Very high91.7Very high1 Ų125.2 Ų25.21%0.0111%0.114CC..Hα-helixtrans-62.3-48.9177.300000112.6R205 S206 I207 R211 F212 F213R205-G209 PolarHBondContact O-N 2.98Å; S206-G209 PolarHBondContact O-N 3.33Å; I207-G209 PolarHBondContact O-N 2.78Å; G209-R211 VanDerWaalsContact C-N 3.29Å; G209-R211 PolarHBondContact O-N 3.14Å; G209-F212 PolarHBondContact O-N 2.89Å; G209-F213 WeakPolarHBondContact O-CD2 3.33Å; G209-F213 WeakPolarHBondContact O-CG 3.44Å; G209-F213 PolarHBondContact O-N 2.85Å
210R93Very high91.7Very high1 Ų124.6 Ų24.60%0.00411%0.111CC..Hα-helixtrans-60.8-37.8177.867.7179.2-169.3-160.28.1112.6E128 T132 A135 S206 I207 F214 F374 E375E128-R210 IonicContact OE2-NH1 2.74Å; T132-R210 HydrophobicContact CG2-CB 4.39Å; A135-R210 HydrophobicContact CB-CB 3.9Å; S206-R210 PolarHBondContact O-N 3.4Å; I207-R210 WeakPolarHBondContact O-CG 3.34Å; R210-F214 VanDerWaalsContact O-CB 3.24Å; R210-F214 WeakPolarHBondContact O-CB 3.49Å; R210-F214 PolarHBondContact O-N 2.89Å; R210-F374 PolarHBondContact NE-O 2.96Å; R210-F374 PolarHBondContact NH1-O 3.38Å; R210-F374 PolarHBondContact NH2-O 3.46Å; R210-E375 IonicContact CZ-OE1 2.77Å; R210-E375 IonicContact NE-OE1 3.91Å; R210-E375 PolarHBondContact NE-OE1 3.27Å; R210-E375 IonicContact NH2-OE1 3.72Å; R210-E375 PolarHBondContact NH2-OE1 2.85Å; R210-E375 IonicContact NH2-OE2 3.5Å; R210-E375 PolarHBondContact NH2-OE2 3.23Å
211R94.8Very high92Very high1 Ų121.9 Ų21.90%0.00410%0.099CC..Hα-helixtrans-64.2-45.6176.6-65.9-179.3172.1-169.43.5110.6I207 V208 G209 I215 F292 Y296 Y344 E375I207-R211 WeakPolarHBondContact O-CG 3.39Å; I207-R211 PolarHBondContact O-N 2.87Å; V208-R211 PolarHBondContact O-N 3.16Å; G209-R211 VanDerWaalsContact C-N 3.29Å; G209-R211 PolarHBondContact O-N 3.14Å; R211-I215 VanDerWaalsContact O-CG1 3.29Å; R211-I215 WeakPolarHBondContact O-CG1 3.33Å; R211-I215 PolarHBondContact O-N 3.42Å; R211-I215 VanDerWaalsContact O-N 3.08Å; R211-F292 HydrophobicContact CB-CE1 4.39Å; R211-F292 HydrophobicContact CB-CZ 4.46Å; R211-Y296 VanDerWaalsContact CD-OH 3.23Å; R211-Y296 WeakPolarHBondContact CD-OH 3.24Å; R211-Y296 PolarHBondContact NH1-OH 3.17Å; R211-Y296 VanDerWaalsContact NH1-OH 3.09Å; R211-Y344 HydrophobicContact CB-CE1 3.77Å; R211-Y344 HydrophobicContact CG-CE1 3.51Å; R211-Y344 WeakPolarHBondContact CG-OH 3.48Å; R211-E375 WeakPolarHBondContact CG-OE1 3.31Å; R211-E375 IonicContact CZ-OE1 3.07Å; R211-E375 IonicContact CZ-OE2 3.73Å; R211-E375 IonicContact NE-OE1 3.5Å; R211-E375 PolarHBondContact NE-OE1 3.45Å; R211-E375 IonicContact NE-OE2 2.92Å; R211-E375 PolarHBondContact NE-OE2 2.96Å; R211-E375 IonicContact NH2-OE1 3.47Å; R211-E375 IonicContact NH2-OE2 3.49Å; R211-E375 PolarHBondContact NH2-OE2 3.2Å
212F95.3Very high92.3Very high21 Ų2122.3 Ų22.39%0.09210%0.097CC..Hα-helixtrans-60.2-53.4176.3-176.8-100.3000111.8W195 V208 G209 F214 I215 V216 M285 L288 F292W195-F212 AromaticContact CE2-CD2 3.94Å; W195-F212 HydrophobicContact CZ2-CB 4.32Å; W195-F212 AromaticContact CZ2-CD2 3.98Å; W195-F212 HydrophobicContact CZ2-CD2 3.98Å; W195-F212 HydrophobicContact CZ2-CG 4.21Å; W195-F212 AromaticContact NE1-CD2 3.58Å; W195-F212 AromaticContact NE1-CE1 3.93Å; W195-F212 AromaticContact NE1-CE2 3.47Å; W195-F212 AromaticContact NE1-CG 3.88Å; W195-F212 AromaticContact NE1-CZ 3.65Å; V208-F212 PolarHBondContact O-N 2.9Å; G209-F212 PolarHBondContact O-N 2.89Å; F212-F214 VanDerWaalsContact C-N 3.35Å; F212-F214 PolarHBondContact O-N 3.26Å; F212-I215 PolarHBondContact O-N 2.98Å; F212-V216 HydrophobicContact CD1-CG2 4.1Å; F212-V216 HydrophobicContact CD2-CG2 4.34Å; F212-V216 HydrophobicContact CE1-CG2 3.78Å; F212-V216 HydrophobicContact CE2-CG2 4.02Å; F212-V216 HydrophobicContact CG-CG2 4.37Å; F212-V216 HydrophobicContact CZ-CG2 3.73Å; F212-V216 WeakPolarHBondContact O-CB 3.27Å; F212-V216 VanDerWaalsContact O-CG2 3.23Å; F212-V216 WeakPolarHBondContact O-CG2 3.41Å; F212-V216 PolarHBondContact O-N 2.98Å; F212-M285 HydrophobicContact CZ-CE 4.36Å; F212-L288 HydrophobicContact CE2-CD2 4.33Å; F212-L288 HydrophobicContact CE2-CG 4.46Å; F212-F292 VanDerWaalsContact CA-CZ 3.42Å; F212-F292 HydrophobicContact CB-CD1 4.43Å; F212-F292 HydrophobicContact CB-CE1 3.92Å; F212-F292 HydrophobicContact CB-CE2 4.42Å; F212-F292 HydrophobicContact CB-CZ 3.91Å; F212-F292 HydrophobicContact CD2-CB 4.5Å; F212-F292 HydrophobicContact CD2-CD1 4.13Å; F212-F292 AromaticContact CD2-CD2 3.6Å; F212-F292 HydrophobicContact CD2-CD2 3.6Å; F212-F292 HydrophobicContact CD2-CE1 4.23Å; F212-F292 AromaticContact CD2-CE2 3.69Å; F212-F292 HydrophobicContact CD2-CE2 3.69Å; F212-F292 AromaticContact CD2-CG 3.82Å; F212-F292 HydrophobicContact CD2-CG 3.82Å; F212-F292 HydrophobicContact CD2-CZ 4.02Å; F212-F292 HydrophobicContact CE2-CD2 4.14Å; F212-F292 HydrophobicContact CE2-CE2 4.49Å; F212-F292 HydrophobicContact CE2-CG 4.47Å; F212-F292 HydrophobicContact CG-CZ 4.47Å
213F95.3Very high92.6Very high36 Ų3622.5 Ų22.516%0.15810%0.097CC..Hα-helixtrans-62.5-39.6-178.9-65.9-50.5000112.9T132 A135 F136 A139 W199 G209 G217T132-F213 HydrophobicContact CG2-CD2 4.48Å; T132-F213 HydrophobicContact CG2-CE2 4.48Å; A135-F213 HydrophobicContact CB-CB 4.14Å; F136-F213 HydrophobicContact CB-CD2 4.06Å; F136-F213 HydrophobicContact CB-CE2 4.27Å; F136-F213 HydrophobicContact CB-CG 4.4Å; F136-F213 HydrophobicContact CD2-CD1 4.02Å; F136-F213 HydrophobicContact CD2-CD2 4.3Å; F136-F213 AromaticContact CD2-CE1 3.69Å; F136-F213 HydrophobicContact CD2-CE1 3.69Å; F136-F213 AromaticContact CD2-CE2 3.98Å; F136-F213 HydrophobicContact CD2-CE2 3.98Å; F136-F213 HydrophobicContact CD2-CG 4.34Å; F136-F213 AromaticContact CD2-CZ 3.68Å; F136-F213 HydrophobicContact CD2-CZ 3.68Å; F136-F213 HydrophobicContact CE2-CE1 4.2Å; F136-F213 HydrophobicContact CE2-CZ 4.3Å; A139-F213 HydrophobicContact CB-CB 4.03Å; A139-F213 HydrophobicContact CB-CD1 4.33Å; A139-F213 WeakPolarHBondContact CB-O 3.35Å; W199-F213 HydrophobicContact CH2-CE2 4.34Å; W199-F213 HydrophobicContact CH2-CZ 4.18Å; W199-F213 HydrophobicContact CZ2-CE2 4.46Å; G209-F213 WeakPolarHBondContact O-CD2 3.33Å; G209-F213 WeakPolarHBondContact O-CG 3.44Å; G209-F213 PolarHBondContact O-N 2.85Å; F213-G217 PolarHBondContact O-N 3.15Å
214F95.7Very high93.2Very high0 Ų017.8 Ų17.80%08%0.078CC..Hα-helixtrans-61.3-52175.6176.9-94.2000112Y138 R210 F212 V216 G217 T218 Y344 W367 L370 F371 F374Y138-F214 HydrophobicContact CE1-CD2 4.32Å; R210-F214 VanDerWaalsContact O-CB 3.24Å; R210-F214 WeakPolarHBondContact O-CB 3.49Å; R210-F214 PolarHBondContact O-N 2.89Å; F212-F214 VanDerWaalsContact C-N 3.35Å; F212-F214 PolarHBondContact O-N 3.26Å; F214-V216 PolarHBondContact O-N 2.96Å; F214-G217 PolarHBondContact O-N 3.29Å; F214-T218 PolarHBondContact O-N 2.83Å; F214-T218 PolarHBondContact O-OG1 3.18Å; F214-T218 VanDerWaalsContact O-OG1 3.1Å; F214-Y344 AromaticContact CD1-CD2 3.61Å; F214-Y344 HydrophobicContact CD1-CD2 3.61Å; F214-Y344 AromaticContact CD1-CE2 3.18Å; F214-Y344 HydrophobicContact CD1-CE2 3.18Å; F214-Y344 AromaticContact CE1-CD2 3.59Å; F214-Y344 HydrophobicContact CE1-CD2 3.59Å; F214-Y344 AromaticContact CE1-CE2 3.43Å; F214-Y344 HydrophobicContact CE1-CE2 3.43Å; F214-Y344 VanDerWaalsContact CE1-CE2 3.43Å; F214-Y344 HydrophobicContact CG-CE2 4.08Å; F214-Y344 HydrophobicContact CZ-CE2 4.47Å; F214-W367 HydrophobicContact CE1-CD2 4.3Å; F214-W367 AromaticContact CE1-CE3 3.9Å; F214-W367 HydrophobicContact CE1-CE3 3.9Å; F214-W367 HydrophobicContact CE1-CZ3 4.36Å; F214-W367 HydrophobicContact CZ-CB 3.97Å; F214-W367 HydrophobicContact CZ-CD2 4.07Å; F214-W367 AromaticContact CZ-CE3 3.72Å; F214-W367 HydrophobicContact CZ-CE3 3.72Å; F214-W367 HydrophobicContact CZ-CG 4.2Å; F214-L370 HydrophobicContact CD2-CD2 4.13Å; F214-L370 HydrophobicContact CD2-CG 4.23Å; F214-L370 HydrophobicContact CE2-CB 4.14Å; F214-L370 HydrophobicContact CE2-CD2 3.62Å; F214-L370 HydrophobicContact CE2-CG 3.68Å; F214-F371 HydrophobicContact CZ-CB 4.48Å; F214-F374 AromaticContact CD2-CD2 3.81Å; F214-F374 HydrophobicContact CD2-CD2 3.81Å; F214-F374 AromaticContact CD2-CE2 3.63Å; F214-F374 HydrophobicContact CD2-CE2 3.63Å; F214-F374 HydrophobicContact CE2-CD2 4.31Å; F214-F374 HydrophobicContact CE2-CE2 4.24Å; F214-F374 HydrophobicContact CG-CD2 4.39Å; F214-F374 HydrophobicContact CG-CE2 4.46Å
215I96.1Very high93.5Very high0 Ų020.7 Ų20.70%09%0.093CC..Hα-helixtrans-63.9-43.5-178.3-64.1175.4000110.7R211 F212 G217 T218 L219 L288 F292 L340 F341 Y344R211-I215 VanDerWaalsContact O-CG1 3.29Å; R211-I215 WeakPolarHBondContact O-CG1 3.33Å; R211-I215 PolarHBondContact O-N 3.42Å; R211-I215 VanDerWaalsContact O-N 3.08Å; F212-I215 PolarHBondContact O-N 2.98Å; I215-G217 PolarHBondContact O-N 3.18Å; I215-T218 PolarHBondContact O-N 3.44Å; I215-L219 HydrophobicContact CG2-CD1 3.85Å; I215-L219 HydrophobicContact CG2-CG 4.41Å; I215-L219 VanDerWaalsContact O-CG 3.3Å; I215-L219 WeakPolarHBondContact O-CG 3.35Å; I215-L219 PolarHBondContact O-N 3.43Å; I215-L288 HydrophobicContact CG2-CD1 3.68Å; I215-L288 HydrophobicContact CG2-CD2 4.16Å; I215-F292 HydrophobicContact CD1-CE2 4.03Å; I215-F292 HydrophobicContact CD1-CZ 3.84Å; I215-L340 HydrophobicContact CG2-CD2 4.05Å; I215-L340 HydrophobicContact CG2-CG 4.35Å; I215-F341 HydrophobicContact CD1-CD2 4.35Å; I215-Y344 HydrophobicContact CD1-CD1 3.72Å; I215-Y344 HydrophobicContact CD1-CD2 4.25Å; I215-Y344 HydrophobicContact CD1-CE1 4.4Å; I215-Y344 HydrophobicContact CD1-CG 3.65Å; I215-Y344 HydrophobicContact CG1-CD1 4.28Å; I215-Y344 HydrophobicContact CG1-CD2 3.95Å; I215-Y344 HydrophobicContact CG1-CE2 4.4Å; I215-Y344 HydrophobicContact CG1-CG 3.87Å
216V95.8Very high93.7Very high17 Ų1717.4 Ų17.410%0.1039%0.085CC..Hα-helixtrans-55.4-53.1174168.50000110.4F212 F214 T218 L219 Y220 L288F212-V216 HydrophobicContact CD1-CG2 4.1Å; F212-V216 HydrophobicContact CD2-CG2 4.34Å; F212-V216 HydrophobicContact CE1-CG2 3.78Å; F212-V216 HydrophobicContact CE2-CG2 4.02Å; F212-V216 HydrophobicContact CG-CG2 4.37Å; F212-V216 HydrophobicContact CZ-CG2 3.73Å; F212-V216 WeakPolarHBondContact O-CB 3.27Å; F212-V216 VanDerWaalsContact O-CG2 3.23Å; F212-V216 WeakPolarHBondContact O-CG2 3.41Å; F212-V216 PolarHBondContact O-N 2.98Å; F214-V216 PolarHBondContact O-N 2.96Å; V216-T218 VanDerWaalsContact C-N 3.35Å; V216-T218 PolarHBondContact O-N 3.36Å; V216-L219 PolarHBondContact O-N 3.17Å; V216-Y220 HydrophobicContact CG1-CD2 3.66Å; V216-Y220 HydrophobicContact CG1-CE2 3.74Å; V216-Y220 VanDerWaalsContact O-CD2 3.25Å; V216-Y220 WeakPolarHBondContact O-CD2 3.34Å; V216-Y220 PolarHBondContact O-N 3.14Å; V216-L288 HydrophobicContact CB-CD2 4.44Å; V216-L288 HydrophobicContact CG2-CD2 3.42Å; V216-L288 VanDerWaalsContact CG2-CD2 3.42Å
217G94.9Very high93.8Very high0 Ų017.4 Ų17.40%09%0.085CC..Hα-helixtrans-58.5-44.2-179.200000112.7C142 F213 F214 I215 L219 Y220 L221C142-G217 PolarHBondContact SG-O 3.3Å; F213-G217 PolarHBondContact O-N 3.15Å; F214-G217 PolarHBondContact O-N 3.29Å; I215-G217 PolarHBondContact O-N 3.18Å; G217-L219 PolarHBondContact O-N 2.92Å; G217-Y220 PolarHBondContact O-N 3.29Å; G217-L221 WeakPolarHBondContact O-CB 3.41Å; G217-L221 PolarHBondContact O-N 2.92Å
218T95.8Very high93.8Very high0 Ų023 Ų230%011%0.107CC..Hα-helixtrans-66-37.8178.8-58.20000112.7Y138 F214 I215 V216 L221 Y222 L340 W366Y138-T218 PolarHBondContact OH-OG1 2.95Å; F214-T218 PolarHBondContact O-N 2.83Å; F214-T218 PolarHBondContact O-OG1 3.18Å; F214-T218 VanDerWaalsContact O-OG1 3.1Å; I215-T218 PolarHBondContact O-N 3.44Å; V216-T218 VanDerWaalsContact C-N 3.35Å; V216-T218 PolarHBondContact O-N 3.36Å; T218-L221 PolarHBondContact O-N 2.62Å; T218-Y222 HydrophobicContact CG2-CD2 4.24Å; T218-Y222 HydrophobicContact CG2-CE2 3.74Å; T218-Y222 WeakPolarHBondContact O-CD2 3.46Å; T218-Y222 PolarHBondContact O-N 3.47Å; T218-L340 HydrophobicContact CG2-CD1 4.42Å; T218-L340 HydrophobicContact CG2-CD2 3.82Å; T218-W366 HydrophobicContact CG2-CZ2 4.16Å
219L96.1Very high93.8Very high1 Ų128.9 Ų28.91%0.00514%0.136CC..Hα-helixtrans-64.8-47.3175.2-68.7166.5000111.1I215 V216 G217 L221 Y222 R223 Y279 V284 L288 I336 T337 L340I215-L219 HydrophobicContact CG2-CD1 3.85Å; I215-L219 HydrophobicContact CG2-CG 4.41Å; I215-L219 VanDerWaalsContact O-CG 3.3Å; I215-L219 WeakPolarHBondContact O-CG 3.35Å; I215-L219 PolarHBondContact O-N 3.43Å; V216-L219 PolarHBondContact O-N 3.17Å; G217-L219 PolarHBondContact O-N 2.92Å; L219-L221 VanDerWaalsContact C-N 3.29Å; L219-L221 PolarHBondContact O-N 3.26Å; L219-Y222 PolarHBondContact O-N 3.42Å; L219-R223 PolarHBondContact O-N 3.45Å; L219-Y279 WeakPolarHBondContact CA-OH 3.35Å; L219-Y279 PolarHBondContact O-OH 3.01Å; L219-V284 HydrophobicContact CB-CG1 4.01Å; L219-V284 HydrophobicContact CD1-CG1 3.73Å; L219-V284 HydrophobicContact CG-CG1 4.41Å; L219-L288 HydrophobicContact CD1-CD1 4.35Å; L219-L288 HydrophobicContact CD1-CD2 3.95Å; L219-I336 HydrophobicContact CD2-CG2 3.74Å; L219-T337 HydrophobicContact CD1-CG2 3.96Å; L219-L340 HydrophobicContact CD1-CD2 4.48Å; L219-L340 HydrophobicContact CD2-CB 4.32Å; L219-L340 HydrophobicContact CD2-CD2 3.64Å; L219-L340 HydrophobicContact CG-CD2 3.7Å
220Y93.9Very high93.7Very high30 Ų3032.1 Ų32.112%0.11816%0.156CC..Hα-helixtrans-63.4-35176.3-81.4-69.3000112.5T146 V216 G217 R223 C224 M285T146-Y220 HydrophobicContact CG2-CD1 4Å; V216-Y220 HydrophobicContact CG1-CD2 3.66Å; V216-Y220 HydrophobicContact CG1-CE2 3.74Å; V216-Y220 VanDerWaalsContact O-CD2 3.25Å; V216-Y220 WeakPolarHBondContact O-CD2 3.34Å; V216-Y220 PolarHBondContact O-N 3.14Å; G217-Y220 PolarHBondContact O-N 3.29Å; Y220-R223 WeakPolarHBondContact O-CB 3.4Å; Y220-R223 PolarHBondContact O-N 3.11Å; Y220-C224 PolarHBondContact O-N 3.36Å; Y220-C224 PolarHBondContact O-SG 3Å; Y220-M285 HydrophobicContact CE2-SD 3.95Å; Y220-M285 VanDerWaalsContact OH-CG 3.25Å; Y220-M285 WeakPolarHBondContact OH-CG 3.44Å
221L94.6Very high93.3Very high46 Ų4634.2 Ų34.224%0.24117%0.169CC..Hα-helixtrans-62.4-45.9172.3-178.266.4000112.2G217 T218 L219 R223 C224 I225 W366G217-L221 WeakPolarHBondContact O-CB 3.41Å; G217-L221 PolarHBondContact O-N 2.92Å; T218-L221 PolarHBondContact O-N 2.62Å; L219-L221 VanDerWaalsContact C-N 3.29Å; L219-L221 PolarHBondContact O-N 3.26Å; L221-R223 VanDerWaalsContact C-N 3.25Å; L221-R223 PolarHBondContact O-N 3.19Å; L221-C224 WeakPolarHBondContact O-CB 3.06Å; L221-C224 PolarHBondContact O-N 3.43Å; L221-I225 PolarHBondContact O-N 3.36Å; L221-W366 HydrophobicContact CD2-CH2 3.46Å; L221-W366 VanDerWaalsContact CD2-CH2 3.46Å; L221-W366 HydrophobicContact CD2-CZ2 3.87Å; L221-W366 HydrophobicContact CD2-CZ3 4.42Å
222Y94.2Very high93Very high61 Ų6135.6 Ų35.624%0.23918%0.177CC..Hα-helixtrans-61.3-38174.2-69.9-35.8000111.8T218 L219 C224 I225 T226 I336 W366T218-Y222 HydrophobicContact CG2-CD2 4.24Å; T218-Y222 HydrophobicContact CG2-CE2 3.74Å; T218-Y222 WeakPolarHBondContact O-CD2 3.46Å; T218-Y222 PolarHBondContact O-N 3.47Å; L219-Y222 PolarHBondContact O-N 3.42Å; Y222-C224 PolarHBondContact O-N 2.92Å; Y222-I225 PolarHBondContact O-N 2.89Å; Y222-T226 WeakPolarHBondContact O-CG2 3.44Å; Y222-T226 PolarHBondContact O-N 3.45Å; Y222-T226 PolarHBondContact O-OG1 3.1Å; Y222-I336 HydrophobicContact CD2-CG2 4.17Å; Y222-W366 HydrophobicContact CE1-CZ2 4.13Å; Y222-W366 AromaticContact CE1-NE1 3.62Å; Y222-W366 AromaticContact CZ-NE1 3.66Å; Y222-W366 PolarHBondContact OH-NE1 3.41Å
223R93.3Very high92.6Very high14 Ų1435.6 Ų35.65%0.05318%0.179CC..Hα-helixtrans-60.3-43.9174.8-155.6-163.7173.7-173.2-2.5111.4L219 Y220 L221 I225 T226 M227 D276 Y279 G281L219-R223 PolarHBondContact O-N 3.45Å; Y220-R223 WeakPolarHBondContact O-CB 3.4Å; Y220-R223 PolarHBondContact O-N 3.11Å; L221-R223 VanDerWaalsContact C-N 3.25Å; L221-R223 PolarHBondContact O-N 3.19Å; R223-I225 VanDerWaalsContact C-N 3.28Å; R223-I225 PolarHBondContact O-N 3.07Å; R223-T226 PolarHBondContact O-N 2.99Å; R223-T226 PolarHBondContact O-OG1 2.77Å; R223-T226 VanDerWaalsContact O-OG1 3.11Å; R223-M227 HydrophobicContact CB-CE 4.2Å; R223-M227 HydrophobicContact CG-CE 3.63Å; R223-M227 HydrophobicContact CG-CG 4.27Å; R223-M227 HydrophobicContact CG-SD 3.92Å; R223-M227 WeakPolarHBondContact O-CB 3.3Å; R223-M227 WeakPolarHBondContact O-CE 3.49Å; R223-M227 VanDerWaalsContact O-CG 3.25Å; R223-M227 WeakPolarHBondContact O-CG 3.19Å; R223-M227 PolarHBondContact O-N 3.34Å; R223-D276 IonicContact CZ-OD2 3.54Å; R223-D276 PolarHBondContact NH2-O 3.34Å; R223-D276 IonicContact NH2-OD2 3.73Å; R223-D276 PolarHBondContact NH2-OD2 3.36Å; R223-Y279 HydrophobicContact CB-CE1 4.3Å; R223-Y279 WeakPolarHBondContact CD-O 3.42Å; R223-Y279 VanDerWaalsContact CG-O 3.29Å; R223-Y279 WeakPolarHBondContact CG-O 3.46Å; R223-Y279 PolarHBondContact NE-O 3.34Å; R223-G281 VanDerWaalsContact CZ-N 3.34Å
224C93.1Very high92.2Very high7 Ų734.2 Ų34.25%0.04717%0.173CC..Hα-helixtrans-55.2-45.8175.1-67.40000111.7T146 V149 Y220 L221 Y222 Y228T146-C224 WeakPolarHBondContact CA-SG 3.37Å; T146-C224 PolarHBondContact OG1-SG 3.44Å; V149-C224 HydrophobicContact CG2-CB 4.14Å; Y220-C224 PolarHBondContact O-N 3.36Å; Y220-C224 PolarHBondContact O-SG 3Å; L221-C224 WeakPolarHBondContact O-CB 3.06Å; L221-C224 PolarHBondContact O-N 3.43Å; Y222-C224 PolarHBondContact O-N 2.92Å; C224-Y228 WeakPolarHBondContact O-CB 3.37Å; C224-Y228 PolarHBondContact O-N 2.98Å
225I92.6Very high91.5Very high84 Ų8434.4 Ų34.443%0.43117%0.174SC..Hα-helixtrans-66.2-48.7-178.7-63.6169.2000110.4L221 Y222 R223 Y228 I229L221-I225 PolarHBondContact O-N 3.36Å; Y222-I225 PolarHBondContact O-N 2.89Å; R223-I225 VanDerWaalsContact C-N 3.28Å; R223-I225 PolarHBondContact O-N 3.07Å; I225-Y228 PolarHBondContact O-N 3.36Å; I225-I229 HydrophobicContact CG2-CD1 3.53Å; I225-I229 HydrophobicContact CG2-CG1 4.37Å; I225-I229 WeakPolarHBondContact O-CB 3.45Å; I225-I229 VanDerWaalsContact O-CG1 3.24Å; I225-I229 WeakPolarHBondContact O-CG1 3.1Å; I225-I229 PolarHBondContact O-N 3.44Å
226T92.3Very high90.8Very high40 Ų4034.8 Ų34.825%0.24518%0.178CC..Hα-helixtrans-65.1-44.9-177.655.30000112.3Y222 R223 Y228 I229 T230 L278Y222-T226 WeakPolarHBondContact O-CG2 3.44Å; Y222-T226 PolarHBondContact O-N 3.45Å; Y222-T226 PolarHBondContact O-OG1 3.1Å; R223-T226 PolarHBondContact O-N 2.99Å; R223-T226 PolarHBondContact O-OG1 2.77Å; R223-T226 VanDerWaalsContact O-OG1 3.11Å; T226-Y228 VanDerWaalsContact C-N 3.33Å; T226-Y228 PolarHBondContact O-N 2.92Å; T226-I229 PolarHBondContact O-N 3.47Å; T226-T230 PolarHBondContact O-N 2.95Å; T226-L278 PolarHBondContact OG1-O 3Å
227M90.2Very high90Very high2 Ų239.9 Ų39.91%0.0120%0.202CC..Hα-helixtrans-65-37.5178.4-66.8-174.7-61.700111.8T146 V149 I150 V153 R223 D276 L278T146-M227 HydrophobicContact CG2-CE 4.06Å; V149-M227 HydrophobicContact CG1-CB 4.39Å; V149-M227 HydrophobicContact CG1-CE 4.49Å; I150-M227 HydrophobicContact CG1-CE 4.02Å; I150-M227 HydrophobicContact CG1-SD 4.31Å; V153-M227 HydrophobicContact CG2-CB 4.31Å; V153-M227 WeakPolarHBondContact CG2-O 3.35Å; R223-M227 HydrophobicContact CB-CE 4.2Å; R223-M227 HydrophobicContact CG-CE 3.63Å; R223-M227 HydrophobicContact CG-CG 4.27Å; R223-M227 HydrophobicContact CG-SD 3.92Å; R223-M227 WeakPolarHBondContact O-CB 3.3Å; R223-M227 WeakPolarHBondContact O-CE 3.49Å; R223-M227 VanDerWaalsContact O-CG 3.25Å; R223-M227 WeakPolarHBondContact O-CG 3.19Å; R223-M227 PolarHBondContact O-N 3.34Å; M227-D276 HydrophobicContact SD-CB 3.91Å; M227-L278 WeakPolarHBondContact CG-O 3.32Å
228Y90.5Very high89.2Confident120 Ų12042.6 Ų42.647%0.47122%0.215SC..Hα-helixtrans-71.1-40.4179.6-179-100.1000112.6V152 C224 I225 T226V152-Y228 HydrophobicContact CG1-CE2 4.4Å; C224-Y228 WeakPolarHBondContact O-CB 3.37Å; C224-Y228 PolarHBondContact O-N 2.98Å; I225-Y228 PolarHBondContact O-N 3.36Å; T226-Y228 VanDerWaalsContact C-N 3.33Å; T226-Y228 PolarHBondContact O-N 2.92Å
229I91.4Very high88.2Confident124 Ų12444.4 Ų44.464%0.63622%0.223SC*.Hα-helixtrans-71.9-40.4-179.9-67171.5000111I225 T226I225-I229 HydrophobicContact CG2-CD1 3.53Å; I225-I229 HydrophobicContact CG2-CG1 4.37Å; I225-I229 WeakPolarHBondContact O-CB 3.45Å; I225-I229 VanDerWaalsContact O-CG1 3.24Å; I225-I229 WeakPolarHBondContact O-CG1 3.1Å; I225-I229 PolarHBondContact O-N 3.44Å; T226-I229 PolarHBondContact O-N 3.47Å
230T88.1Confident87.4Confident70 Ų7053.7 Ų53.743%0.42926%0.263SS..  trans-135.5109.5-175.3-55.60000110.9T226 L232T226-T230 PolarHBondContact O-N 2.95Å; T230-L232 HydrophobicContact CG2-CD2 4.11Å
231T86.3Confident86.8Confident45 Ų4554.7 Ų54.728%0.27627%0.274SS..  trans-93.6111.3176.6590000109.5V153 R156V153-T231 HydrophobicContact CB-CG2 4.35Å; V153-T231 HydrophobicContact CG1-CG2 3.61Å; V153-T231 HydrophobicContact CG2-CG2 4.16Å; R156-T231 HydrophobicContact CB-CG2 4.26Å
232L87.1Confident86.2Confident30 Ų3053.7 Ų53.716%0.15727%0.271CS..PPolyproline II helixtrans-82.1149.2177.5-63.3-177.6000111.5L166 T230 Y277 L278 Y326L166-L232 HydrophobicContact CD1-CD2 4.36Å; T230-L232 HydrophobicContact CG2-CD2 4.11Å; L232-Y277 WeakPolarHBondContact CD1-O 3.46Å; L232-L278 HydrophobicContact CD1-CB 4Å; L232-L278 HydrophobicContact CG-CB 4.47Å; L232-Y326 HydrophobicContact CB-CE2 4.29Å; L232-Y326 HydrophobicContact CD1-CD2 4.2Å; L232-Y326 HydrophobicContact CD1-CE2 4.48Å
233P87.1Confident85.6Confident20 Ų2055.2 Ų55.213%0.1329%0.288CS..PPolyproline II helixtrans-66.5155.2173.529.6-34.3000110.6L166 Y326L166-P233 HydrophobicContact CD1-CG 4Å; L166-P233 HydrophobicContact CG-CG 3.8Å; P233-Y326 VanDerWaalsContact O-CE2 3.25Å; P233-Y326 WeakPolarHBondContact O-CE2 3.32Å; P233-Y326 PolarHBondContact O-OH 2.92Å
234V86.8Confident85.1Confident7 Ų759 Ų594%0.04231%0.305CS..PPolyproline II helixtrans-60.1132-178.1-176.90000110.5V157 K160 P165 G236 F239 C274 Y277V157-V234 HydrophobicContact CG1-CG2 4.09Å; K160-V234 HydrophobicContact CD-CB 4.45Å; K160-V234 HydrophobicContact CG-CB 4.43Å; K160-V234 HydrophobicContact CG-CG2 4.42Å; P165-V234 WeakPolarHBondContact CB-O 3.46Å; P165-V234 WeakPolarHBondContact CG-O 3.22Å; V234-G236 WeakPolarHBondContact CG1-O 3.48Å; V234-G236 PolarHBondContact O-N 3.46Å; V234-G236 VanDerWaalsContact O-N 3.15Å; V234-F239 HydrophobicContact CG1-CB 3.73Å; V234-F239 HydrophobicContact CG1-CD2 3.43Å; V234-F239 VanDerWaalsContact CG1-CD2 3.43Å; V234-F239 HydrophobicContact CG1-CE2 4.22Å; V234-F239 HydrophobicContact CG1-CG 3.72Å; V234-C274 HydrophobicContact CG2-CB 4.16Å; V234-Y277 HydrophobicContact CB-CE2 4.24Å; V234-Y277 HydrophobicContact CG1-CE2 4.42Å; V234-Y277 HydrophobicContact CG2-CE2 4Å
235P81.8Confident84.4Confident4 Ų460 Ų603%0.02631%0.31CS..SBendtrans-70.3-9.5-173.424.5-31.5000114.7F171 F239 Y277 H323 D324 Y326F171-P235 HydrophobicContact CE2-CB 3.92Å; F171-P235 HydrophobicContact CZ-CB 4.17Å; P235-F239 HydrophobicContact CG-CE2 3.89Å; P235-F239 HydrophobicContact CG-CZ 4.49Å; P235-Y277 VanDerWaalsContact CD-CZ 3.46Å; P235-Y277 HydrophobicContact CG-CD1 3.88Å; P235-Y277 HydrophobicContact CG-CE1 3.77Å; P235-H323 WeakPolarHBondContact CG-O 3.36Å; P235-D324 WeakPolarHBondContact CG-O 3.36Å; P235-Y326 WeakPolarHBondContact CA-OH 3.5Å; P235-Y326 HydrophobicContact CB-CD1 4.24Å; P235-Y326 HydrophobicContact CB-CD2 4.28Å; P235-Y326 HydrophobicContact CB-CE1 3.9Å; P235-Y326 HydrophobicContact CB-CE2 3.94Å; P235-Y326 HydrophobicContact CB-CG 4.42Å
236G81.4Confident83.4Confident8 Ų862.8 Ų62.88%0.08233%0.325CS..  trans-156153.4176.400000114.9K160 V234 H238K160-G236 PolarHBondContact NZ-O 3.46Å; V234-G236 WeakPolarHBondContact CG1-O 3.48Å; V234-G236 PolarHBondContact O-N 3.46Å; V234-G236 VanDerWaalsContact O-N 3.15Å; G236-H238 PolarHBondContact O-N 3.1Å
237M78.4Confident82.5Confident124 Ų12464.6 Ų64.661%0.61135%0.351SS*.THydrogen-bonded Turntrans-68.2-22.8178.1-64-58.3-83.700112.7K160 F239K160-M237 HydrophobicContact CB-CE 4.26Å; K160-M237 HydrophobicContact CB-SD 3.99Å; K160-M237 HydrophobicContact CD-SD 4.07Å; K160-M237 VanDerWaalsContact NZ-C 3.35Å; K160-M237 PolarHBondContact NZ-O 3.08Å; M237-F239 VanDerWaalsContact C-N 3.29Å; M237-F239 PolarHBondContact O-N 3Å
238H77.8Confident82.3Confident57 Ų5769.3 Ų69.326%0.26438%0.377SS..THydrogen-bonded Turntrans-66.1-21.1-177.464.2-95.9000115.4R176 G236 K240 D324R176-H238 VanDerWaalsContact CD-CE1 3.47Å; R176-H238 WeakPolarHBondContact CD-CE1 3.41Å; R176-H238 WeakPolarHBondContact CD-ND1 3.44Å; R176-H238 VanDerWaalsContact CZ-CB 3.5Å; R176-H238 PolarHBondContact NE-CD2 2.66Å; R176-H238 PolarHBondContact NE-CE1 2.99Å; R176-H238 VanDerWaalsContact NE-CE1 3.27Å; R176-H238 VanDerWaalsContact NE-CG 3.27Å; R176-H238 PolarHBondContact NE-ND1 2.96Å; R176-H238 PolarHBondContact NE-NE2 3.09Å; R176-H238 VanDerWaalsContact NE-NE2 3.18Å; R176-H238 PolarHBondContact NH2-CD2 3.47Å; G236-H238 PolarHBondContact O-N 3.1Å; H238-K240 PolarHBondContact O-N 3.46Å; H238-D324 IonicContact NE2-OD1 3.45Å
239F75.8Confident81.8Confident39 Ų3971.9 Ų71.917%0.17139%0.386CS..  trans-65.7126.3-180-78.9-86.2000112.8K160 V234 P235 M237 C241 D324K160-F239 WeakPolarHBondContact CE-O 3.34Å; K160-F239 VanDerWaalsContact NZ-CB 3.28Å; K160-F239 PolarHBondContact NZ-O 3.44Å; V234-F239 HydrophobicContact CG1-CB 3.73Å; V234-F239 HydrophobicContact CG1-CD2 3.43Å; V234-F239 VanDerWaalsContact CG1-CD2 3.43Å; V234-F239 HydrophobicContact CG1-CE2 4.22Å; V234-F239 HydrophobicContact CG1-CG 3.72Å; P235-F239 HydrophobicContact CG-CE2 3.89Å; P235-F239 HydrophobicContact CG-CZ 4.49Å; M237-F239 VanDerWaalsContact C-N 3.29Å; M237-F239 PolarHBondContact O-N 3Å; F239-C241 PolarHBondContact O-N 2.92Å; F239-D324 HydrophobicContact CZ-CB 4.07Å; F239-D324 WeakPolarHBondContact CZ-OD1 3.35Å
240K78.8Confident81.6Confident196 Ų19670.8 Ų70.885%0.85238%0.378SS*.  trans-95.192.6168.8-67.2-177.6-178.9178.10109.1H238H238-K240 PolarHBondContact O-N 3.46Å
241C81.2Confident81.4Confident51 Ų5168.6 Ų68.635%0.34537%0.367SS..PPolyproline II helixtrans-70.9140.4177.7-57.50000110.2F239 C274F239-C241 PolarHBondContact O-N 2.92Å; C241-C274 VanDerWaalsContact CA-SG 3.53Å; C241-C274 HydrophobicContact CB-CB 4Å; C241-C274 WeakPolarHBondContact CB-SG 3.26Å; C241-C274 WeakPolarHBondContact SG-CB 3.16Å; C241-C274 CovalentContact SG-SG 2.03Å; C241-C274 PolarHBondContact SG-SG 3.24Å
242S81.4Confident81.3Confident24 Ų2468.8 Ų68.817%0.16837%0.365CS..PPolyproline II helixtrans-57.3153170.1-91.10000112.1H154 R255 T272H154-S242 PolarHBondContact CE1-O 3.47Å; H154-S242 PolarHBondContact NE2-O 2.96Å; S242-R255 VanDerWaalsContact CB-NH2 3.33Å; S242-T272 WeakPolarHBondContact CB-O 3.16Å; S242-T272 PolarHBondContact N-O 3.49Å; S242-T272 PolarHBondContact OG-OG1 2.71Å
243P83Confident81.2Confident94 Ų9472 Ų7261%0.6138%0.38SS*.PPolyproline II helixtrans-63.4147.5173.827-33.6000110.4L245 R255P243-L245 HydrophobicContact CG-CD1 4.41Å; P243-L245 WeakPolarHBondContact O-CD1 3.06Å; P243-R255 PolarHBondContact O-NH1 3.45Å; P243-R255 VanDerWaalsContact O-NH1 3.13Å; P243-R255 PolarHBondContact O-NH2 3.34Å
244K83Confident81.2Confident92 Ų9278.3 Ų78.340%0.440%0.401SS..PPolyproline II helixtrans-69.2135174.3-69.7-169.1-178.4-165.40110.3E155 V157E155-K244 WeakPolarHBondContact O-CE 3.2Å; E155-K244 PolarHBondContact O-NZ 3.44Å; E155-K244 WeakPolarHBondContact OE1-CA 3.29Å; E155-K244 VanDerWaalsContact OE2-CB 3.28Å; E155-K244 WeakPolarHBondContact OE2-CB 3.42Å; V157-K244 WeakPolarHBondContact O-CE 3.47Å; V157-K244 PolarHBondContact O-NZ 3.01Å
245L78.3Confident81.1Confident29 Ų2979.9 Ų79.915%0.15241%0.407CS..  trans-112.241-173.6-93.475.4000112.5E155 P243 G247 N248 A251E155-L245 PolarHBondContact OE1-N 2.92Å; E155-L245 PolarHBondContact OE2-N 3.43Å; P243-L245 HydrophobicContact CG-CD1 4.41Å; P243-L245 WeakPolarHBondContact O-CD1 3.06Å; L245-G247 PolarHBondContact O-N 3.21Å; L245-N248 PolarHBondContact O-N 2.99Å; L245-A251 HydrophobicContact CD2-CB 3.33Å
246L71.2Confident81.3Confident142 Ų14280.1 Ų80.174%0.74341%0.407SS*.THydrogen-bonded Turntrans-41112.5177-66.9164.9000111.9N248L246-N248 PolarHBondContact O-N 3.32Å
247G72.6Confident81.5Confident78 Ų7885.3 Ų85.380%0.80443%0.431SS*.THydrogen-bonded Turntrans85.4-10.6173.900000117.3L245 W249L245-G247 PolarHBondContact O-N 3.21Å; G247-W249 PolarHBondContact O-N 3.43Å
248N85.5Confident81.9Confident101 Ų10185.4 Ų85.454%0.5443%0.428SS..  trans-94.479.2-177-74.7-32.9000112.5L245 L246 E250 A251 Q252L245-N248 PolarHBondContact O-N 2.99Å; L246-N248 PolarHBondContact O-N 3.32Å; N248-E250 VanDerWaalsContact C-N 3.32Å; N248-E250 PolarHBondContact O-N 3.38Å; N248-A251 HydrophobicContact CB-CB 4.34Å; N248-A251 PolarHBondContact O-N 3.47Å; N248-Q252 WeakPolarHBondContact O-CB 3.34Å; N248-Q252 PolarHBondContact O-N 3.45Å
249W81.4Confident82.2Confident175 Ų17582.9 Ų82.966%0.66342%0.416SS*.Hα-helixtrans-57.4-39.8-173.883.1-92.1000113.4G247 Q252 M253G247-W249 PolarHBondContact O-N 3.43Å; W249-Q252 PolarHBondContact O-N 3.28Å; W249-M253 HydrophobicContact CE3-CB 4.49Å; W249-M253 HydrophobicContact CE3-CG 3.79Å; W249-M253 HydrophobicContact CZ3-CG 4.08Å; W249-M253 WeakPolarHBondContact O-CB 3.47Å; W249-M253 VanDerWaalsContact O-CG 3.31Å; W249-M253 WeakPolarHBondContact O-CG 3.28Å; W249-M253 PolarHBondContact O-N 3.48Å
250E86.9Confident82.7Confident100 Ų10083 Ų8347%0.46742%0.418SS..Hα-helixtrans-65.3-44.5-178.2-64.5-173.4-178.900112.3N248 Q252 M253 R254N248-E250 VanDerWaalsContact C-N 3.32Å; N248-E250 PolarHBondContact O-N 3.38Å; E250-Q252 VanDerWaalsContact C-N 3.34Å; E250-M253 PolarHBondContact O-N 3.1Å; E250-R254 WeakPolarHBondContact O-CG 3.45Å; E250-R254 PolarHBondContact O-N 3.29Å; E250-R254 IonicContact OE2-NH1 3.49Å; E250-R254 PolarHBondContact OE2-NH1 3.31Å; E250-R254 IonicContact OE2-NH2 3.99Å
251A84.1Confident83Confident25 Ų2578 Ų7821%0.20741%0.413CS..Hα-helixtrans-73.3-32.5-178.600000111L245 N248 R255L245-A251 HydrophobicContact CD2-CB 3.33Å; N248-A251 HydrophobicContact CB-CB 4.34Å; N248-A251 PolarHBondContact O-N 3.47Å; A251-R255 PolarHBondContact O-N 3.22Å; A251-R255 VanDerWaalsContact O-N 3.08Å
252Q84.7Confident83Confident49 Ų4976.2 Ų76.223%0.22940%0.404CS..Hα-helixtrans-63.4-45.7169.6-168175.56.100111.6S151 N248 W249 E250 R255 I256S151-Q252 VanDerWaalsContact OG-CG 3.29Å; S151-Q252 WeakPolarHBondContact OG-CG 3.44Å; S151-Q252 PolarHBondContact OG-NE2 3.48Å; N248-Q252 WeakPolarHBondContact O-CB 3.34Å; N248-Q252 PolarHBondContact O-N 3.45Å; W249-Q252 PolarHBondContact O-N 3.28Å; E250-Q252 VanDerWaalsContact C-N 3.34Å; Q252-R255 PolarHBondContact O-N 2.87Å; Q252-I256 HydrophobicContact CG-CD1 4.18Å; Q252-I256 WeakPolarHBondContact O-CG1 3.43Å; Q252-I256 PolarHBondContact O-N 3.5Å
253M85.2Confident82.8Confident97 Ų9777.1 Ų77.148%0.47842%0.417SS..Hα-helixtrans-63.3-42.5176.2-75.6-60.9-171.600112.2W249 E250 R255 I256 M257W249-M253 HydrophobicContact CE3-CB 4.49Å; W249-M253 HydrophobicContact CE3-CG 3.79Å; W249-M253 HydrophobicContact CZ3-CG 4.08Å; W249-M253 WeakPolarHBondContact O-CB 3.47Å; W249-M253 VanDerWaalsContact O-CG 3.31Å; W249-M253 WeakPolarHBondContact O-CG 3.28Å; W249-M253 PolarHBondContact O-N 3.48Å; E250-M253 PolarHBondContact O-N 3.1Å; M253-R255 VanDerWaalsContact C-N 3.27Å; M253-R255 PolarHBondContact O-N 3.01Å; M253-I256 PolarHBondContact O-N 3.08Å; M253-I256 HydrophobicContact SD-CD1 4.22Å; M253-M257 WeakPolarHBondContact O-CB 3.42Å; M253-M257 WeakPolarHBondContact O-CG 3.29Å; M253-M257 PolarHBondContact O-N 3.25Å
254R86.3Confident82.3Confident152 Ų15273.5 Ų73.557%0.57440%0.397SS*.Hα-helixtrans-57.6-40.3173.5-75.6-173-69.1-94.74.6111.8E250 K258E250-R254 WeakPolarHBondContact O-CG 3.45Å; E250-R254 PolarHBondContact O-N 3.29Å; E250-R254 IonicContact OE2-NH1 3.49Å; E250-R254 PolarHBondContact OE2-NH1 3.31Å; E250-R254 IonicContact OE2-NH2 3.99Å; R254-K258 WeakPolarHBondContact O-CB 3.3Å; R254-K258 PolarHBondContact O-N 2.69Å
255R84.5Confident82.1Confident41 Ų4171.1 Ų71.116%0.15539%0.388CS..Hα-helixtrans-67.9-42.9177.2-159.8-170-85173.1-2.1112H154 S242 P243 A251 Q252 M253 K258 M259 M273H154-R255 PolarHBondContact CD2-NH1 3.5Å; H154-R255 PolarHBondContact NE2-NH1 2.85Å; H154-R255 VanDerWaalsContact NE2-NH1 3.17Å; S242-R255 VanDerWaalsContact CB-NH2 3.33Å; P243-R255 PolarHBondContact O-NH1 3.45Å; P243-R255 VanDerWaalsContact O-NH1 3.13Å; P243-R255 PolarHBondContact O-NH2 3.34Å; A251-R255 PolarHBondContact O-N 3.22Å; A251-R255 VanDerWaalsContact O-N 3.08Å; Q252-R255 PolarHBondContact O-N 2.87Å; M253-R255 VanDerWaalsContact C-N 3.27Å; M253-R255 PolarHBondContact O-N 3.01Å; R255-K258 PolarHBondContact O-N 3.43Å; R255-M259 PolarHBondContact O-N 3.5Å; R255-M273 HydrophobicContact CB-CE 3.97Å; R255-M273 VanDerWaalsContact CD-CE 3.45Å; R255-M273 HydrophobicContact CG-CE 3.38Å
256I85.9Confident81.6Confident8 Ų871.9 Ų71.94%0.04140%0.396CS..Hα-helixtrans-60.7-47.6175.5-68.3163.2000110.2V148 Q252 M253 K258 M259 I260V148-I256 HydrophobicContact CG2-CD1 4.33Å; V148-I256 HydrophobicContact CG2-CG2 4.33Å; Q252-I256 HydrophobicContact CG-CD1 4.18Å; Q252-I256 WeakPolarHBondContact O-CG1 3.43Å; Q252-I256 PolarHBondContact O-N 3.5Å; M253-I256 PolarHBondContact O-N 3.08Å; M253-I256 HydrophobicContact SD-CD1 4.22Å; I256-K258 VanDerWaalsContact C-N 3.34Å; I256-K258 PolarHBondContact O-N 2.82Å; I256-M259 WeakPolarHBondContact O-CB 3.34Å; I256-M259 PolarHBondContact O-N 3.22Å; I256-M259 VanDerWaalsContact O-N 3.12Å; I256-I260 HydrophobicContact CG2-CD1 3.71Å; I256-I260 HydrophobicContact CG2-CG1 4.34Å; I256-I260 WeakPolarHBondContact O-CG1 3.37Å; I256-I260 PolarHBondContact O-N 2.86Å
257M86.3Confident81.3Confident118 Ų11869.5 Ų69.558%0.58138%0.383SS*.Hα-helixtrans-62.2-39.7178.2-70.4-58.2-65.200112.4M253 M259 I260 A261M253-M257 WeakPolarHBondContact O-CB 3.42Å; M253-M257 WeakPolarHBondContact O-CG 3.29Å; M253-M257 PolarHBondContact O-N 3.25Å; M257-M259 VanDerWaalsContact C-N 3.32Å; M257-M259 PolarHBondContact O-N 2.92Å; M257-I260 PolarHBondContact O-N 3.38Å; M257-I260 HydrophobicContact SD-CD1 4.29Å; M257-A261 VanDerWaalsContact O-CB 3.29Å; M257-A261 WeakPolarHBondContact O-CB 3.05Å; M257-A261 PolarHBondContact O-N 3.16Å
258K86.2Confident80.8Confident125 Ų12569.1 Ų69.154%0.54337%0.365SS..Hα-helixtrans-61.7-40.3173.6-173.8-179.9178.6-1720111.8R254 R255 I256 A261 G262 G269R254-K258 WeakPolarHBondContact O-CB 3.3Å; R254-K258 PolarHBondContact O-N 2.69Å; R255-K258 PolarHBondContact O-N 3.43Å; I256-K258 VanDerWaalsContact C-N 3.34Å; I256-K258 PolarHBondContact O-N 2.82Å; K258-A261 PolarHBondContact O-N 3Å; K258-G262 PolarHBondContact O-N 3.39Å; K258-G269 PolarHBondContact NZ-O 3.26Å
259M84.5Confident79.6Confident4 Ų466.3 Ų66.32%0.0236%0.36CS..Hα-helixtrans-69.2-41177.9-170.3173.267.800112.2S147 I150 R255 I256 M257 G262 G263 G264 M273S147-M259 VanDerWaalsContact CB-CE 3.41Å; S147-M259 WeakPolarHBondContact O-CE 3.42Å; I150-M259 HydrophobicContact CB-CE 4.13Å; I150-M259 HydrophobicContact CD1-CE 4.41Å; I150-M259 HydrophobicContact CG2-CE 4.2Å; I150-M259 HydrophobicContact CG2-SD 4.07Å; R255-M259 PolarHBondContact O-N 3.5Å; I256-M259 WeakPolarHBondContact O-CB 3.34Å; I256-M259 PolarHBondContact O-N 3.22Å; I256-M259 VanDerWaalsContact O-N 3.12Å; M257-M259 VanDerWaalsContact C-N 3.32Å; M257-M259 PolarHBondContact O-N 2.92Å; M259-G262 PolarHBondContact O-N 3.24Å; M259-G263 PolarHBondContact O-N 3.21Å; M259-G264 PolarHBondContact O-N 2.98Å; M259-G264 VanDerWaalsContact O-N 3.11Å; M259-M273 HydrophobicContact CB-CE 4.19Å; M259-M273 HydrophobicContact CE-CE 3.98Å; M259-M273 HydrophobicContact CE-SD 4.36Å; M259-M273 HydrophobicContact SD-CE 3.8Å; M259-M273 HydrophobicContact SD-CG 4.47Å; M259-M273 HydrophobicContact SD-SD 4.08Å
260I86.3Confident78.6Confident41 Ų4158.3 Ų58.321%0.2133%0.331CS..Hα-helixtrans-61-47.4173.2-69.4168.9000110.1F143 V144 S147 I256 M257 G262 G263F143-I260 HydrophobicContact CE1-CB 4.38Å; F143-I260 HydrophobicContact CE1-CG1 4.36Å; F143-I260 HydrophobicContact CE1-CG2 4.11Å; V144-I260 HydrophobicContact CG1-CD1 4.36Å; V144-I260 HydrophobicContact CG2-CD1 4.23Å; S147-I260 WeakPolarHBondContact OG-CG1 3.23Å; I256-I260 HydrophobicContact CG2-CD1 3.71Å; I256-I260 HydrophobicContact CG2-CG1 4.34Å; I256-I260 WeakPolarHBondContact O-CG1 3.37Å; I256-I260 PolarHBondContact O-N 2.86Å; M257-I260 PolarHBondContact O-N 3.38Å; M257-I260 HydrophobicContact SD-CD1 4.29Å; I260-G262 VanDerWaalsContact C-N 3.31Å; I260-G262 PolarHBondContact O-N 3.19Å; I260-G263 PolarHBondContact O-N 3.43Å; I260-G263 VanDerWaalsContact O-N 3.09Å
261A85.1Confident77.3Confident91 Ų9155.1 Ų55.175%0.75232%0.316SS*.Hα-helixtrans-64.3-34.617900000112.9M257 K258 G263M257-A261 VanDerWaalsContact O-CB 3.29Å; M257-A261 WeakPolarHBondContact O-CB 3.05Å; M257-A261 PolarHBondContact O-N 3.16Å; K258-A261 PolarHBondContact O-N 3Å; A261-G263 PolarHBondContact O-N 3.01Å
262G79.9Confident76.5Confident14 Ų1456.7 Ų56.714%0.14432%0.323CS..THydrogen-bonded Turntrans-78.70174.400000114.6K258 M259 I260 G264 L265 T268K258-G262 PolarHBondContact O-N 3.39Å; M259-G262 PolarHBondContact O-N 3.24Å; I260-G262 VanDerWaalsContact C-N 3.31Å; I260-G262 PolarHBondContact O-N 3.19Å; G262-G264 PolarHBondContact O-N 2.92Å; G262-G264 VanDerWaalsContact O-N 3.13Å; G262-L265 PolarHBondContact O-N 3.3Å; G262-L265 VanDerWaalsContact O-N 3.16Å; G262-T268 PolarHBondContact O-OG1 3.01Å
263G77.7Confident76.1Confident43 Ų4354.5 Ų54.544%0.44331%0.313SS..THydrogen-bonded Turntrans64.115.5-179.500000114.4M259 I260 A261 L265M259-G263 PolarHBondContact O-N 3.21Å; I260-G263 PolarHBondContact O-N 3.43Å; I260-G263 VanDerWaalsContact O-N 3.09Å; A261-G263 PolarHBondContact O-N 3.01Å; G263-L265 VanDerWaalsContact C-N 3.31Å
264G72.9Confident76.1Confident18 Ų1850 Ų5019%0.18629%0.291CS..THydrogen-bonded Turntrans7413.2-17400000115.4M259 G262 H271M259-G264 PolarHBondContact O-N 2.98Å; M259-G264 VanDerWaalsContact O-N 3.11Å; G262-G264 PolarHBondContact O-N 2.92Å; G262-G264 VanDerWaalsContact O-N 3.13Å; G264-H271 PolarHBondContact O-CD2 2.99Å
265L78.6Confident75.7Confident43 Ų4342.9 Ų42.923%0.22527%0.265CS..  trans-89.2135.2177.8-62171.5000111.9E185 M189 G262 G263 I267 T268 S270E185-L265 HydrophobicContact CG-CD2 4.39Å; E185-L265 WeakPolarHBondContact OE1-CA 3.24Å; M189-L265 HydrophobicContact CG-CD1 4.09Å; M189-L265 HydrophobicContact SD-CD1 3.9Å; G262-L265 PolarHBondContact O-N 3.3Å; G262-L265 VanDerWaalsContact O-N 3.16Å; G263-L265 VanDerWaalsContact C-N 3.31Å; L265-I267 HydrophobicContact CB-CG2 4.09Å; L265-I267 HydrophobicContact CD1-CG2 4.49Å; L265-T268 HydrophobicContact CB-CG2 4.3Å; L265-T268 PolarHBondContact O-N 2.9Å; L265-T268 PolarHBondContact O-OG1 2.98Å; L265-S270 PolarHBondContact O-OG 2.9Å
266S68.4Low75.7Confident45 Ų4541.1 Ų41.132%0.31526%0.258SS..G310 helixtrans-65.9-34.4173.7-167.10000113.4F181 E185 T268 G269 H271F181-S266 VanDerWaalsContact CE1-CB 3.44Å; E185-S266 WeakPolarHBondContact OE1-CA 3.31Å; E185-S266 WeakPolarHBondContact OE1-CB 3.33Å; E185-S266 PolarHBondContact OE1-N 3.46Å; S266-T268 PolarHBondContact O-N 3.39Å; S266-G269 WeakPolarHBondContact O-CA 3.12Å; S266-G269 PolarHBondContact O-N 3.34Å; S266-H271 VanDerWaalsContact CA-CB 3.48Å
267I64.9Low75.5Confident92 Ų9240.9 Ų40.947%0.47226%0.257SS..G310 helixtrans-57.4-24.9176.2-160.1165.2000113.6E185 M189 L265 G269E185-I267 VanDerWaalsContact OE2-CB 3.32Å; E185-I267 WeakPolarHBondContact OE2-CB 3.43Å; E185-I267 PolarHBondContact OE2-N 2.81Å; M189-I267 HydrophobicContact CE-CD1 4.4Å; M189-I267 HydrophobicContact CE-CG2 4.47Å; L265-I267 HydrophobicContact CB-CG2 4.09Å; L265-I267 HydrophobicContact CD1-CG2 4.49Å; I267-G269 PolarHBondContact O-N 3.39Å
268T61.9Low75.5Confident69 Ų6937 Ų3742%0.42324%0.238SC..G310 helixtrans-81.3117666.30000113.4G262 L265 S266 S270G262-T268 PolarHBondContact O-OG1 3.01Å; L265-T268 HydrophobicContact CB-CG2 4.3Å; L265-T268 PolarHBondContact O-N 2.9Å; L265-T268 PolarHBondContact O-OG1 2.98Å; S266-T268 PolarHBondContact O-N 3.39Å; T268-S270 PolarHBondContact O-N 3.2Å; T268-S270 WeakPolarHBondContact OG1-CB 3.44Å; T268-S270 PolarHBondContact OG1-OG 2.95Å
269G59.4Low75.6Confident42 Ų4231.1 Ų31.143%0.43321%0.213SC..THydrogen-bonded Turntrans65.219.6-175.700000113.4K258 S266 I267K258-G269 PolarHBondContact NZ-O 3.26Å; S266-G269 WeakPolarHBondContact O-CA 3.12Å; S266-G269 PolarHBondContact O-N 3.34Å; I267-G269 PolarHBondContact O-N 3.39Å
270S60Low76Confident7 Ų730.9 Ų30.95%0.04921%0.212CC..  trans-99.1-18.6-178.969.80000113.3L265 T268 T272L265-S270 PolarHBondContact O-OG 2.9Å; T268-S270 PolarHBondContact O-N 3.2Å; T268-S270 WeakPolarHBondContact OG1-CB 3.44Å; T268-S270 PolarHBondContact OG1-OG 2.95Å; S270-T272 PolarHBondContact O-N 3.49Å
271H61.5Low76.2Confident33 Ų3329.1 Ų29.115%0.15320%0.203CC..  trans-90.868.6-176.3-155.2-88.1000113.1G264 S266 D276G264-H271 PolarHBondContact O-CD2 2.99Å; S266-H271 VanDerWaalsContact CA-CB 3.48Å; H271-D276 IonicContact CE1-OD1 2.82Å; H271-D276 IonicContact CE1-OD2 3.23Å; H271-D276 IonicContact NE2-OD2 3.99Å
272T66.3Low76.6Confident58 Ų5826 Ų2636%0.35617%0.173SC..  trans-1137.4174.960.30000113.1S242 S270S242-T272 WeakPolarHBondContact CB-O 3.16Å; S242-T272 PolarHBondContact N-O 3.49Å; S242-T272 PolarHBondContact OG-OG1 2.71Å; S270-T272 PolarHBondContact O-N 3.49Å
273M77.3Confident77.3Confident3 Ų325.4 Ų25.42%0.01517%0.167CC..  trans-84.7137.9172.1-58.4-160.1-149.700109.1I150 H154 R255 M259I150-M273 HydrophobicContact CG2-CB 3.92Å; I150-M273 HydrophobicContact CG2-SD 4.14Å; H154-M273 HydrophobicContact CB-CB 4.38Å; R255-M273 HydrophobicContact CB-CE 3.97Å; R255-M273 VanDerWaalsContact CD-CE 3.45Å; R255-M273 HydrophobicContact CG-CE 3.38Å; M259-M273 HydrophobicContact CB-CE 4.19Å; M259-M273 HydrophobicContact CE-CE 3.98Å; M259-M273 HydrophobicContact CE-SD 4.36Å; M259-M273 HydrophobicContact SD-CE 3.8Å; M259-M273 HydrophobicContact SD-CG 4.47Å; M259-M273 HydrophobicContact SD-SD 4.08Å
274C83.4Confident78.2Confident4 Ų423.5 Ų23.53%0.02715%0.146CC..  trans-107.9146.4-180-67.30000109.9H154 V234 C241H154-C274 WeakPolarHBondContact CA-O 3.49Å; H154-C274 WeakPolarHBondContact CB-O 3.49Å; H154-C274 PolarHBondContact ND1-N 3.22Å; V234-C274 HydrophobicContact CG2-CB 4.16Å; C241-C274 VanDerWaalsContact CA-SG 3.53Å; C241-C274 HydrophobicContact CB-CB 4Å; C241-C274 WeakPolarHBondContact CB-SG 3.26Å; C241-C274 WeakPolarHBondContact SG-CB 3.16Å; C241-C274 CovalentContact SG-SG 2.03Å; C241-C274 PolarHBondContact SG-SG 3.24Å
275G78.4Confident79.3Confident2 Ų224.7 Ų24.72%0.02115%0.148CC..  trans121.66.5171.800000115.7V153 V157 Y277V153-G275 WeakPolarHBondContact CG1-O 3.34Å; V157-G275 VanDerWaalsContact CG2-CA 3.47Å; G275-Y277 PolarHBondContact O-N 3.41Å
276D84.6Confident80.1Confident3 Ų322.9 Ų22.92%0.01614%0.138CC..  trans-91.433.9-177.875.4-53.6000113.5I150 R223 M227 H271 L278 H325I150-D276 HydrophobicContact CD1-CB 4.27Å; I150-D276 HydrophobicContact CG1-CB 4.1Å; R223-D276 IonicContact CZ-OD2 3.54Å; R223-D276 PolarHBondContact NH2-O 3.34Å; R223-D276 IonicContact NH2-OD2 3.73Å; R223-D276 PolarHBondContact NH2-OD2 3.36Å; M227-D276 HydrophobicContact SD-CB 3.91Å; H271-D276 IonicContact CE1-OD1 2.82Å; H271-D276 IonicContact CE1-OD2 3.23Å; H271-D276 IonicContact NE2-OD2 3.99Å; D276-L278 PolarHBondContact O-N 3.46Å; D276-H325 PolarHBondContact O-CE1 2.76Å; D276-H325 IonicContact OD2-CE1 3.22Å
277Y82.6Confident81.5Confident4 Ų421 Ų212%0.01613%0.125CC..  trans-92.815.9-167.6-49-63.8000115.3L232 V234 P235 G275 D324 D329L232-Y277 WeakPolarHBondContact CD1-O 3.46Å; V234-Y277 HydrophobicContact CB-CE2 4.24Å; V234-Y277 HydrophobicContact CG1-CE2 4.42Å; V234-Y277 HydrophobicContact CG2-CE2 4Å; P235-Y277 VanDerWaalsContact CD-CZ 3.46Å; P235-Y277 HydrophobicContact CG-CD1 3.88Å; P235-Y277 HydrophobicContact CG-CE1 3.77Å; G275-Y277 PolarHBondContact O-N 3.41Å; Y277-D324 WeakPolarHBondContact CE1-O 3.46Å; Y277-D329 WeakPolarHBondContact CA-OD2 3.24Å
278L86.1Confident83Confident36 Ų3616.6 Ų16.619%0.18810%0.102CC..SBendtrans-158111172.2-17169.2000114T226 M227 L232 D276T226-L278 PolarHBondContact OG1-O 3Å; M227-L278 WeakPolarHBondContact CG-O 3.32Å; L232-L278 HydrophobicContact CD1-CB 4Å; L232-L278 HydrophobicContact CG-CB 4.47Å; D276-L278 PolarHBondContact O-N 3.46Å
279Y88.7Confident84.6Confident1 Ų113.3 Ų13.30%0.0048%0.082CC..SBendcis-98.5171.6-12.863-88.7000112.3L219 R223 G281 V284 D329 V332 A333 I336L219-Y279 WeakPolarHBondContact CA-OH 3.35Å; L219-Y279 PolarHBondContact O-OH 3.01Å; R223-Y279 HydrophobicContact CB-CE1 4.3Å; R223-Y279 WeakPolarHBondContact CD-O 3.42Å; R223-Y279 VanDerWaalsContact CG-O 3.29Å; R223-Y279 WeakPolarHBondContact CG-O 3.46Å; R223-Y279 PolarHBondContact NE-O 3.34Å; Y279-G281 PolarHBondContact O-N 3.08Å; Y279-V284 HydrophobicContact CD2-CG2 3.55Å; Y279-V284 HydrophobicContact CE2-CG2 3.23Å; Y279-D329 WeakPolarHBondContact CA-OD1 3.48Å; Y279-V332 HydrophobicContact CD1-CG1 4.47Å; Y279-V332 HydrophobicContact CG-CG1 4.42Å; Y279-A333 VanDerWaalsContact CD2-CA 3.44Å; Y279-A333 HydrophobicContact CD2-CB 3.55Å; Y279-A333 HydrophobicContact CE2-CB 4.44Å; Y279-A333 HydrophobicContact CG-CB 4.25Å; Y279-I336 HydrophobicContact CD1-CD1 3.82Å; Y279-I336 HydrophobicContact CE1-CD1 3.69Å; Y279-I336 HydrophobicContact CG-CD1 4.49Å
280S91.5Very high86.4Confident0 Ų012.3 Ų12.30%07%0.066CC..  trans-83.8116-157.6171.30000110.4H282 T283 V284 H325 D329S280-H282 VanDerWaalsContact C-N 3.31Å; S280-H282 PolarHBondContact O-N 2.83Å; S280-T283 PolarHBondContact O-N 3.29Å; S280-T283 PolarHBondContact OG-N 3.42Å; S280-T283 PolarHBondContact OG-OG1 2.7Å; S280-V284 VanDerWaalsContact O-CG2 3.26Å; S280-V284 WeakPolarHBondContact O-CG2 3.43Å; S280-V284 PolarHBondContact O-N 3.01Å; S280-H325 PolarHBondContact OG-CD2 3.26Å; S280-H325 PolarHBondContact OG-NE2 2.82Å; S280-D329 VanDerWaalsContact CA-OD1 3.3Å; S280-D329 WeakPolarHBondContact CA-OD1 3.46Å; S280-D329 VanDerWaalsContact CB-OD1 3.28Å; S280-D329 WeakPolarHBondContact CB-OD1 3.46Å; S280-D329 PolarHBondContact N-OD1 3.35Å
281G91.7Very high88.1Confident3 Ų312.9 Ų12.93%0.0317%0.068CC..Hα-helixtrans-63.2-35.7-179.700000113.4R223 Y279 V284 M285R223-G281 VanDerWaalsContact CZ-N 3.34Å; Y279-G281 PolarHBondContact O-N 3.08Å; G281-V284 WeakPolarHBondContact O-CB 3.26Å; G281-V284 PolarHBondContact O-N 2.97Å; G281-M285 WeakPolarHBondContact O-CG 3.38Å; G281-M285 PolarHBondContact O-N 3.46Å
282H92.9Very high89.7Confident27 Ų2711.3 Ų11.313%0.1256%0.061CC..Hα-helixtrans-64.4-45.1176.7-66.897.4000111.3F181 E185 S280 V284 M285 L286 I319 H325F181-H282 AromaticContact CZ-CE1 3.79Å; E185-H282 IonicContact OE1-NE2 2.82Å; S280-H282 VanDerWaalsContact C-N 3.31Å; S280-H282 PolarHBondContact O-N 2.83Å; H282-V284 VanDerWaalsContact C-N 3.31Å; H282-V284 PolarHBondContact O-N 3.41Å; H282-M285 PolarHBondContact O-N 2.86Å; H282-L286 WeakPolarHBondContact O-CB 3.07Å; H282-L286 WeakPolarHBondContact O-CG 3.38Å; H282-L286 PolarHBondContact O-N 3.35Å; H282-I319 HydrophobicContact CB-CD1 3.64Å; H282-I319 HydrophobicContact CB-CG1 4.47Å; H282-H325 AromaticContact ND1-NE2 3.96Å
283T95.3Very high91.1Very high0 Ų08.5 Ų8.50%04%0.044CC..Hα-helixtrans-61.2-42.2175.1-57.90000111S280 M285 L286 T287 I316 I319 V330 A333S280-T283 PolarHBondContact O-N 3.29Å; S280-T283 PolarHBondContact OG-N 3.42Å; S280-T283 PolarHBondContact OG-OG1 2.7Å; T283-M285 PolarHBondContact O-N 3.46Å; T283-L286 PolarHBondContact O-N 3.32Å; T283-T287 HydrophobicContact CG2-CG2 4.14Å; T283-T287 WeakPolarHBondContact O-CB 3.16Å; T283-T287 VanDerWaalsContact O-CG2 3.24Å; T283-T287 WeakPolarHBondContact O-CG2 2.88Å; T283-T287 PolarHBondContact O-N 3.32Å; T283-T287 PolarHBondContact O-OG1 3.26Å; T283-I316 HydrophobicContact CG2-CD1 4.42Å; T283-I316 HydrophobicContact CG2-CG1 4.3Å; T283-I319 WeakPolarHBondContact OG1-CD1 3.46Å; T283-V330 HydrophobicContact CG2-CG1 4.02Å; T283-A333 HydrophobicContact CG2-CB 3.73Å
284V95.8Very high91.9Very high3 Ų313.4 Ų13.42%0.0187%0.065CC..Hα-helixtrans-57.4-50.8175.7170.70000111.6L219 Y279 S280 G281 H282 T287 L288 A333L219-V284 HydrophobicContact CB-CG1 4.01Å; L219-V284 HydrophobicContact CD1-CG1 3.73Å; L219-V284 HydrophobicContact CG-CG1 4.41Å; Y279-V284 HydrophobicContact CD2-CG2 3.55Å; Y279-V284 HydrophobicContact CE2-CG2 3.23Å; S280-V284 VanDerWaalsContact O-CG2 3.26Å; S280-V284 WeakPolarHBondContact O-CG2 3.43Å; S280-V284 PolarHBondContact O-N 3.01Å; G281-V284 WeakPolarHBondContact O-CB 3.26Å; G281-V284 PolarHBondContact O-N 2.97Å; H282-V284 VanDerWaalsContact C-N 3.31Å; H282-V284 PolarHBondContact O-N 3.41Å; V284-T287 PolarHBondContact O-OG1 3.01Å; V284-T287 VanDerWaalsContact O-OG1 3.1Å; V284-L288 WeakPolarHBondContact O-CB 3.39Å; V284-L288 PolarHBondContact O-N 3.35Å; V284-A333 HydrophobicContact CG2-CB 4.18Å
285M95.1Very high92.3Very high44 Ų4415 Ų1522%0.2177%0.072CC..Hα-helixtrans-65.8-46.8-178.7-70.1-56.4-61.200111.5V192 F212 Y220 G281 H282 T283 T287 L288 T289V192-M285 HydrophobicContact CG2-CE 4.39Å; F212-M285 HydrophobicContact CZ-CE 4.36Å; Y220-M285 HydrophobicContact CE2-SD 3.95Å; Y220-M285 VanDerWaalsContact OH-CG 3.25Å; Y220-M285 WeakPolarHBondContact OH-CG 3.44Å; G281-M285 WeakPolarHBondContact O-CG 3.38Å; G281-M285 PolarHBondContact O-N 3.46Å; H282-M285 PolarHBondContact O-N 2.86Å; T283-M285 PolarHBondContact O-N 3.46Å; M285-T287 VanDerWaalsContact C-N 3.34Å; M285-T287 PolarHBondContact O-N 3.39Å; M285-L288 PolarHBondContact O-N 2.71Å; M285-T289 WeakPolarHBondContact O-CB 3.38Å; M285-T289 PolarHBondContact O-N 3.38Å; M285-T289 PolarHBondContact O-OG1 3.39Å
286L96.3Very high92.9Very high4 Ų415.3 Ų15.32%0.0217%0.073CC..Hα-helixtrans-58.3-44.8178.2-75.4170.4000112.6L191 H282 T283 F290 S312 I316 I319L191-L286 HydrophobicContact CD2-CD2 4.14Å; L191-L286 VanDerWaalsContact CD2-O 3.31Å; L191-L286 WeakPolarHBondContact CD2-O 3.41Å; H282-L286 WeakPolarHBondContact O-CB 3.07Å; H282-L286 WeakPolarHBondContact O-CG 3.38Å; H282-L286 PolarHBondContact O-N 3.35Å; T283-L286 PolarHBondContact O-N 3.32Å; L286-F290 WeakPolarHBondContact O-CB 3.33Å; L286-F290 PolarHBondContact O-N 2.94Å; L286-S312 PolarHBondContact O-OG 3.2Å; L286-I316 HydrophobicContact CB-CG1 4.44Å; L286-I316 HydrophobicContact CD1-CG1 4.15Å; L286-I319 HydrophobicContact CD1-CD1 4.08Å
287T96.9Very high93.1Very high5 Ų515.3 Ų15.33%0.0317%0.073CC..Hα-helixtrans-73.2-47.4-178.753.50000111.3T283 V284 M285 F290 L291 I316 Y334 T337T283-T287 HydrophobicContact CG2-CG2 4.14Å; T283-T287 WeakPolarHBondContact O-CB 3.16Å; T283-T287 VanDerWaalsContact O-CG2 3.24Å; T283-T287 WeakPolarHBondContact O-CG2 2.88Å; T283-T287 PolarHBondContact O-N 3.32Å; T283-T287 PolarHBondContact O-OG1 3.26Å; V284-T287 PolarHBondContact O-OG1 3.01Å; V284-T287 VanDerWaalsContact O-OG1 3.1Å; M285-T287 VanDerWaalsContact C-N 3.34Å; M285-T287 PolarHBondContact O-N 3.39Å; T287-F290 PolarHBondContact O-N 3.49Å; T287-L291 VanDerWaalsContact O-CG 3.31Å; T287-L291 WeakPolarHBondContact O-CG 3.26Å; T287-L291 PolarHBondContact O-N 3.21Å; T287-I316 HydrophobicContact CG2-CD1 3.56Å; T287-Y334 HydrophobicContact CG2-CD2 3.97Å; T287-T337 WeakPolarHBondContact OG1-CG2 3.28Å
288L97Very high93.3Very high0 Ų016.6 Ų16.60%08%0.082CC..Hα-helixtrans-63.4-46.8-178.2-173.564.7000111.7F212 I215 V216 L219 V284 M285 F290 L291 F292 T337 F341F212-L288 HydrophobicContact CE2-CD2 4.33Å; F212-L288 HydrophobicContact CE2-CG 4.46Å; I215-L288 HydrophobicContact CG2-CD1 3.68Å; I215-L288 HydrophobicContact CG2-CD2 4.16Å; V216-L288 HydrophobicContact CB-CD2 4.44Å; V216-L288 HydrophobicContact CG2-CD2 3.42Å; V216-L288 VanDerWaalsContact CG2-CD2 3.42Å; L219-L288 HydrophobicContact CD1-CD1 4.35Å; L219-L288 HydrophobicContact CD1-CD2 3.95Å; V284-L288 WeakPolarHBondContact O-CB 3.39Å; V284-L288 PolarHBondContact O-N 3.35Å; M285-L288 PolarHBondContact O-N 2.71Å; L288-F290 VanDerWaalsContact C-N 3.32Å; L288-F290 PolarHBondContact O-N 3.22Å; L288-L291 PolarHBondContact O-N 2.96Å; L288-F292 HydrophobicContact CD1-CD2 3.78Å; L288-F292 HydrophobicContact CD1-CE2 3.65Å; L288-F292 HydrophobicContact CG-CD2 3.85Å; L288-F292 HydrophobicContact CG-CE2 3.98Å; L288-F292 WeakPolarHBondContact O-CD2 3.3Å; L288-F292 PolarHBondContact O-N 2.65Å; L288-T337 HydrophobicContact CB-CG2 3.81Å; L288-T337 HydrophobicContact CD1-CG2 4.02Å; L288-T337 HydrophobicContact CG-CG2 4.5Å; L288-F341 HydrophobicContact CD1-CD2 3.96Å
289T96.3Very high93.2Very high0 Ų024.9 Ų24.90%011%0.111CC..Hα-helixtrans-61-42.2178.9-61.80000111L191 V192 W195 M285 F292 I293L191-T289 HydrophobicContact CD2-CG2 4.35Å; L191-T289 HydrophobicContact CG-CG2 3.85Å; L191-T289 WeakPolarHBondContact O-CG2 3.47Å; V192-T289 HydrophobicContact CG2-CG2 4.28Å; W195-T289 HydrophobicContact CB-CG2 3.4Å; W195-T289 HydrophobicContact CG-CG2 3.91Å; M285-T289 WeakPolarHBondContact O-CB 3.38Å; M285-T289 PolarHBondContact O-N 3.38Å; M285-T289 PolarHBondContact O-OG1 3.39Å; T289-F292 PolarHBondContact O-N 2.93Å; T289-I293 HydrophobicContact CG2-CD1 4.02Å; T289-I293 WeakPolarHBondContact O-CB 3.46Å; T289-I293 VanDerWaalsContact O-CG1 3.25Å; T289-I293 WeakPolarHBondContact O-CG1 3.26Å; T289-I293 PolarHBondContact O-N 2.52Å
290F96.7Very high93.1Very high22 Ų2235.5 Ų35.510%0.09615%0.15CC..Hα-helixtrans-61-45.3173.7168.1-108.2000112.7L191 L286 T287 L288 F292 I293 K294 C308 L309L191-F290 HydrophobicContact CD2-CB 4.3Å; L286-F290 WeakPolarHBondContact O-CB 3.33Å; L286-F290 PolarHBondContact O-N 2.94Å; T287-F290 PolarHBondContact O-N 3.49Å; L288-F290 VanDerWaalsContact C-N 3.32Å; L288-F290 PolarHBondContact O-N 3.22Å; F290-F292 VanDerWaalsContact C-N 3.35Å; F290-F292 PolarHBondContact O-N 3.12Å; F290-I293 PolarHBondContact O-N 2.75Å; F290-K294 HydrophobicContact CE1-CD 4.38Å; F290-K294 HydrophobicContact CZ-CD 4Å; F290-K294 WeakPolarHBondContact O-CB 3.3Å; F290-K294 PolarHBondContact O-N 2.97Å; F290-C308 HydrophobicContact CD2-CB 3.96Å; F290-C308 HydrophobicContact CE2-CB 4.37Å; F290-L309 HydrophobicContact CD1-CD1 4.38Å; F290-L309 HydrophobicContact CD2-CB 4.32Å; F290-L309 HydrophobicContact CE1-CD1 3.75Å; F290-L309 HydrophobicContact CE2-CB 3.56Å; F290-L309 HydrophobicContact CE2-CD1 4.24Å; F290-L309 HydrophobicContact CE2-CG 4.46Å; F290-L309 HydrophobicContact CZ-CB 3.72Å; F290-L309 HydrophobicContact CZ-CD1 3.67Å; F290-L309 HydrophobicContact CZ-CG 4.16Å
291L96.6Very high93Very high18 Ų1841.3 Ų41.39%0.09418%0.176CC..Hα-helixtrans-60.9-43.4178.6-70172.9000111.8T287 L288 K294 E295 T338 F341 W342T287-L291 VanDerWaalsContact O-CG 3.31Å; T287-L291 WeakPolarHBondContact O-CG 3.26Å; T287-L291 PolarHBondContact O-N 3.21Å; L288-L291 PolarHBondContact O-N 2.96Å; L291-K294 PolarHBondContact O-N 3.29Å; L291-E295 WeakPolarHBondContact O-CB 3.47Å; L291-E295 PolarHBondContact O-N 3.1Å; L291-T338 HydrophobicContact CD1-CG2 4.09Å; L291-F341 HydrophobicContact CB-CD1 4.22Å; L291-F341 HydrophobicContact CB-CD2 4Å; L291-F341 HydrophobicContact CB-CE1 4.09Å; L291-F341 HydrophobicContact CB-CE2 3.84Å; L291-F341 HydrophobicContact CB-CG 4.19Å; L291-F341 HydrophobicContact CB-CZ 3.9Å; L291-F341 HydrophobicContact CD1-CB 4.01Å; L291-F341 HydrophobicContact CD1-CD1 4.11Å; L291-F341 HydrophobicContact CD1-CD2 4.35Å; L291-F341 HydrophobicContact CD1-CG 3.9Å; L291-W342 HydrophobicContact CD2-CZ2 4.13Å
292F95.4Very high93Very high0 Ų048.6 Ų48.60%020%0.203CC..Hα-helixtrans-64.9-43.5176.1-94.9-83.6000112.7W195 R211 F212 I215 L288 T289 F290 K294 E295 Y296 F341W195-F292 HydrophobicContact CD2-CB 4.22Å; W195-F292 HydrophobicContact CE3-CB 4.01Å; W195-F292 HydrophobicContact CH2-CB 3.71Å; W195-F292 AromaticContact CH2-CD1 3.55Å; W195-F292 HydrophobicContact CH2-CD1 3.55Å; W195-F292 HydrophobicContact CH2-CG 4.03Å; W195-F292 HydrophobicContact CZ2-CB 3.92Å; W195-F292 AromaticContact CZ2-CD1 3.7Å; W195-F292 HydrophobicContact CZ2-CD1 3.7Å; W195-F292 HydrophobicContact CZ2-CG 4.03Å; W195-F292 HydrophobicContact CZ3-CB 3.76Å; W195-F292 HydrophobicContact CZ3-CD1 4.38Å; R211-F292 HydrophobicContact CB-CE1 4.39Å; R211-F292 HydrophobicContact CB-CZ 4.46Å; F212-F292 VanDerWaalsContact CA-CZ 3.42Å; F212-F292 HydrophobicContact CB-CD1 4.43Å; F212-F292 HydrophobicContact CB-CE1 3.92Å; F212-F292 HydrophobicContact CB-CE2 4.42Å; F212-F292 HydrophobicContact CB-CZ 3.91Å; F212-F292 HydrophobicContact CD2-CB 4.5Å; F212-F292 HydrophobicContact CD2-CD1 4.13Å; F212-F292 AromaticContact CD2-CD2 3.6Å; F212-F292 HydrophobicContact CD2-CD2 3.6Å; F212-F292 HydrophobicContact CD2-CE1 4.23Å; F212-F292 AromaticContact CD2-CE2 3.69Å; F212-F292 HydrophobicContact CD2-CE2 3.69Å; F212-F292 AromaticContact CD2-CG 3.82Å; F212-F292 HydrophobicContact CD2-CG 3.82Å; F212-F292 HydrophobicContact CD2-CZ 4.02Å; F212-F292 HydrophobicContact CE2-CD2 4.14Å; F212-F292 HydrophobicContact CE2-CE2 4.49Å; F212-F292 HydrophobicContact CE2-CG 4.47Å; F212-F292 HydrophobicContact CG-CZ 4.47Å; I215-F292 HydrophobicContact CD1-CE2 4.03Å; I215-F292 HydrophobicContact CD1-CZ 3.84Å; L288-F292 HydrophobicContact CD1-CD2 3.78Å; L288-F292 HydrophobicContact CD1-CE2 3.65Å; L288-F292 HydrophobicContact CG-CD2 3.85Å; L288-F292 HydrophobicContact CG-CE2 3.98Å; L288-F292 WeakPolarHBondContact O-CD2 3.3Å; L288-F292 PolarHBondContact O-N 2.65Å; T289-F292 PolarHBondContact O-N 2.93Å; F290-F292 VanDerWaalsContact C-N 3.35Å; F290-F292 PolarHBondContact O-N 3.12Å; F292-K294 VanDerWaalsContact C-N 3.34Å; F292-K294 PolarHBondContact O-N 3.36Å; F292-E295 PolarHBondContact O-N 3.38Å; F292-Y296 AromaticContact CD1-CD2 3.72Å; F292-Y296 HydrophobicContact CD1-CD2 3.72Å; F292-Y296 AromaticContact CD1-CE2 3.54Å; F292-Y296 HydrophobicContact CD1-CE2 3.54Å; F292-Y296 HydrophobicContact CE1-CD2 4.34Å; F292-Y296 AromaticContact CE1-CE2 3.7Å; F292-Y296 HydrophobicContact CE1-CE2 3.7Å; F292-Y296 WeakPolarHBondContact O-CD2 3.25Å; F292-Y296 PolarHBondContact O-N 2.9Å; F292-F341 HydrophobicContact CD1-CE2 4.47Å; F292-F341 HydrophobicContact CD2-CD2 4.04Å; F292-F341 AromaticContact CD2-CE2 3.66Å; F292-F341 HydrophobicContact CD2-CE2 3.66Å; F292-F341 AromaticContact CE2-CD2 3.88Å; F292-F341 HydrophobicContact CE2-CD2 3.88Å; F292-F341 AromaticContact CE2-CE2 3.76Å; F292-F341 HydrophobicContact CE2-CE2 3.76Å; F292-F341 HydrophobicContact CG-CE2 4.05Å; F292-F341 HydrophobicContact CZ-CE2 4.21Å
293I94.1Very high93Very high0 Ų052.8 Ų52.80%023%0.225CC..Hα-helixtrans-55.4-52.2173.4-74.5168.2000109.7L191 W195 Q198 T289 F290 E295 S297 Y304 C308L191-I293 HydrophobicContact CD1-CD1 3.61Å; L191-I293 HydrophobicContact CG-CD1 4.16Å; W195-I293 HydrophobicContact CB-CD1 3.95Å; W195-I293 HydrophobicContact CB-CG1 3.85Å; W195-I293 HydrophobicContact CD2-CG1 4.47Å; W195-I293 HydrophobicContact CE3-CG1 3.86Å; Q198-I293 PolarHBondContact NE2-O 3.18Å; T289-I293 HydrophobicContact CG2-CD1 4.02Å; T289-I293 WeakPolarHBondContact O-CB 3.46Å; T289-I293 VanDerWaalsContact O-CG1 3.25Å; T289-I293 WeakPolarHBondContact O-CG1 3.26Å; T289-I293 PolarHBondContact O-N 2.52Å; F290-I293 PolarHBondContact O-N 2.75Å; I293-E295 PolarHBondContact O-N 2.84Å; I293-S297 WeakPolarHBondContact O-CB 3.43Å; I293-S297 PolarHBondContact O-N 3.4Å; I293-S297 VanDerWaalsContact O-N 3.11Å; I293-Y304 HydrophobicContact CG2-CD1 4.38Å; I293-Y304 HydrophobicContact CG2-CE1 3.42Å; I293-Y304 VanDerWaalsContact CG2-CE1 3.42Å; I293-Y304 WeakPolarHBondContact CG2-OH 3.4Å; I293-C308 HydrophobicContact CG2-CB 4.39Å
294K93.9Very high92.9Very high106 Ų10655.7 Ų55.746%0.46124%0.237SC..Hα-helixtrans-63.2-42.5-177.5-175.9178.1178.4177.80112.6F290 L291 F292F290-K294 HydrophobicContact CE1-CD 4.38Å; F290-K294 HydrophobicContact CZ-CD 4Å; F290-K294 WeakPolarHBondContact O-CB 3.3Å; F290-K294 PolarHBondContact O-N 2.97Å; L291-K294 PolarHBondContact O-N 3.29Å; F292-K294 VanDerWaalsContact C-N 3.34Å; F292-K294 PolarHBondContact O-N 3.36Å
295E92.6Very high92.8Very high38 Ų3856.8 Ų56.818%0.17824%0.242CC..Hα-helixtrans-69.4-43.5-177.2-176.651.6-137.900112L291 F292 I293 S297 F341 R384L291-E295 WeakPolarHBondContact O-CB 3.47Å; L291-E295 PolarHBondContact O-N 3.1Å; F292-E295 PolarHBondContact O-N 3.38Å; I293-E295 PolarHBondContact O-N 2.84Å; E295-S297 VanDerWaalsContact C-N 3.34Å; E295-S297 PolarHBondContact O-N 3.09Å; E295-F341 HydrophobicContact CB-CZ 3.84Å; E295-F341 HydrophobicContact CG-CZ 4.21Å; E295-R384 PolarHBondContact O-NE 3.35Å; E295-R384 PolarHBondContact O-NH2 3.12Å; E295-R384 IonicContact OE1-NH2 3.72Å; E295-R384 PolarHBondContact OE1-NH2 3.34Å; E295-R384 VanDerWaalsContact OE1-NH2 3.07Å; E295-R384 IonicContact OE2-NH2 2.76Å
296Y90.4Very high92.8Very high8 Ų862 Ų623%0.03126%0.259CS..Hα-helixtrans-91.76.6-175.9-68.9-75.2000114W195 Q198 L202 V208 R211 F292 H345 V382 Y386W195-Y296 HydrophobicContact CH2-CD2 4.14Å; W195-Y296 HydrophobicContact CZ3-CD2 4.46Å; Q198-Y296 VanDerWaalsContact NE2-C 3.33Å; Q198-Y296 PolarHBondContact NE2-O 3.39Å; L202-Y296 HydrophobicContact CD1-CG 4.42Å; V208-Y296 HydrophobicContact CB-CE1 4.45Å; V208-Y296 HydrophobicContact CG1-CD1 4.2Å; V208-Y296 HydrophobicContact CG1-CD2 3.86Å; V208-Y296 HydrophobicContact CG1-CE1 4.21Å; V208-Y296 HydrophobicContact CG1-CE2 3.87Å; V208-Y296 HydrophobicContact CG1-CG 4.02Å; V208-Y296 HydrophobicContact CG2-CD1 3.74Å; V208-Y296 HydrophobicContact CG2-CE1 3.51Å; V208-Y296 HydrophobicContact CG2-CG 4.38Å; R211-Y296 VanDerWaalsContact CD-OH 3.23Å; R211-Y296 WeakPolarHBondContact CD-OH 3.24Å; R211-Y296 PolarHBondContact NH1-OH 3.17Å; R211-Y296 VanDerWaalsContact NH1-OH 3.09Å; F292-Y296 AromaticContact CD1-CD2 3.72Å; F292-Y296 HydrophobicContact CD1-CD2 3.72Å; F292-Y296 AromaticContact CD1-CE2 3.54Å; F292-Y296 HydrophobicContact CD1-CE2 3.54Å; F292-Y296 HydrophobicContact CE1-CD2 4.34Å; F292-Y296 AromaticContact CE1-CE2 3.7Å; F292-Y296 HydrophobicContact CE1-CE2 3.7Å; F292-Y296 WeakPolarHBondContact O-CD2 3.25Å; F292-Y296 PolarHBondContact O-N 2.9Å; Y296-H345 AromaticContact CE2-NE2 3.78Å; Y296-H345 AromaticContact CZ-NE2 3.98Å; Y296-H345 PolarHBondContact OH-NE2 3.37Å; Y296-V382 HydrophobicContact CE1-CB 4.49Å; Y296-Y386 PolarHBondContact O-OH 3.19Å
297S89.4Confident92.8Very high2 Ų264.4 Ų64.41%0.01428%0.279CS..SBendtrans-103.9146.5179.1-176.70000113.8I293 E295 H305 R384 Y386I293-S297 WeakPolarHBondContact O-CB 3.43Å; I293-S297 PolarHBondContact O-N 3.4Å; I293-S297 VanDerWaalsContact O-N 3.11Å; E295-S297 VanDerWaalsContact C-N 3.34Å; E295-S297 PolarHBondContact O-N 3.09Å; S297-H305 WeakPolarHBondContact CB-NE2 3.27Å; S297-H305 PolarHBondContact OG-NE2 3.5Å; S297-R384 PolarHBondContact O-NH1 3.42Å; S297-Y386 VanDerWaalsContact CA-OH 3.31Å; S297-Y386 WeakPolarHBondContact CA-OH 3.09Å
298P87.1Confident92.7Very high32 Ų3264.2 Ų64.221%0.20828%0.278CS..  trans-62.5138.2176.4-21.433000110.9R300 F301 H305 Y386P298-R300 PolarHBondContact O-N 3.34Å; P298-F301 HydrophobicContact CB-CD2 3.95Å; P298-F301 HydrophobicContact CB-CE2 4.27Å; P298-F301 HydrophobicContact CG-CD2 3.89Å; P298-F301 HydrophobicContact CG-CE2 3.95Å; P298-F301 PolarHBondContact O-N 3.43Å; P298-F301 VanDerWaalsContact O-N 3.16Å; P298-H305 PolarHBondContact O-CE1 3.47Å; P298-Y386 VanDerWaalsContact CD-CE2 3.45Å; P298-Y386 VanDerWaalsContact CD-OH 3.32Å; P298-Y386 WeakPolarHBondContact CD-OH 3.42Å; P298-Y386 HydrophobicContact CG-CD2 4.22Å; P298-Y386 HydrophobicContact CG-CE2 3.52Å
299R84.1Confident92.7Very high210 Ų21067.3 Ų67.379%0.79229%0.294SS*.THydrogen-bonded Turntrans-60.8-19.4178.8-64.5-175.6-179.2171.2-0.4113.6F301R299-F301 VanDerWaalsContact C-N 3.29Å; R299-F301 PolarHBondContact O-N 3.38Å
300R87Confident92.7Very high223 Ų22369.8 Ų69.884%0.84232%0.315SS*.THydrogen-bonded Turntrans-66.7-27.2178.4-170.2175.3-178.9179.30.7113P298 W302P298-R300 PolarHBondContact O-N 3.34Å; R300-W302 PolarHBondContact O-N 3.49Å; R300-W302 VanDerWaalsContact O-N 3.1Å
301F88.1Confident92.7Very high122 Ų12270.4 Ų70.454%0.53532%0.319SS..  trans-88.251.4-179.5-63.4-64.5000112.3P298 R299 L303 Y304 H305P298-F301 HydrophobicContact CB-CD2 3.95Å; P298-F301 HydrophobicContact CB-CE2 4.27Å; P298-F301 HydrophobicContact CG-CD2 3.89Å; P298-F301 HydrophobicContact CG-CE2 3.95Å; P298-F301 PolarHBondContact O-N 3.43Å; P298-F301 VanDerWaalsContact O-N 3.16Å; R299-F301 VanDerWaalsContact C-N 3.29Å; R299-F301 PolarHBondContact O-N 3.38Å; F301-L303 VanDerWaalsContact C-N 3.31Å; F301-L303 PolarHBondContact O-N 3.1Å; F301-Y304 WeakPolarHBondContact O-CB 3.44Å; F301-Y304 PolarHBondContact O-N 3.38Å; F301-Y304 VanDerWaalsContact O-N 3.11Å; F301-H305 PolarHBondContact O-N 3.24Å; F301-H305 VanDerWaalsContact O-N 3.14Å
302W91.2Very high92.7Very high156 Ų15669.7 Ų69.759%0.59132%0.316SS*.Hα-helixtrans-60-38.1-177.573.1-69.6000112.9R300 Y304 H305 W306R300-W302 PolarHBondContact O-N 3.49Å; R300-W302 VanDerWaalsContact O-N 3.1Å; W302-Y304 VanDerWaalsContact C-N 3.31Å; W302-Y304 PolarHBondContact O-N 3.01Å; W302-H305 PolarHBondContact O-N 3.04Å; W302-H305 VanDerWaalsContact O-N 3.16Å; W302-W306 AromaticContact CE3-CD1 3.45Å; W302-W306 VanDerWaalsContact CE3-CD1 3.45Å; W302-W306 AromaticContact CE3-NE1 3.53Å; W302-W306 AromaticContact CZ3-CD1 3.97Å; W302-W306 AromaticContact CZ3-NE1 3.95Å; W302-W306 PolarHBondContact O-N 3.38Å
303L93.4Very high92.7Very high115 Ų11572.1 Ų72.160%0.60234%0.336SS*.Hα-helixtrans-60-40.4175-68.4177.6000112.5F301 H305 W306 A307F301-L303 VanDerWaalsContact C-N 3.31Å; F301-L303 PolarHBondContact O-N 3.1Å; L303-H305 VanDerWaalsContact C-N 3.35Å; L303-W306 PolarHBondContact O-N 3.26Å; L303-A307 WeakPolarHBondContact O-CB 2.97Å; L303-A307 PolarHBondContact O-N 2.92Å
304Y92.8Very high92.9Very high61 Ų6175.2 Ų75.224%0.23935%0.354CS..Hα-helixtrans-64.7-41.2175.9170.1-113.8000111L194 Q198 I293 F301 W302 A307 C308L194-Y304 HydrophobicContact CD1-CE2 4.45Å; Q198-Y304 PolarHBondContact OE1-OH 3.38Å; I293-Y304 HydrophobicContact CG2-CD1 4.38Å; I293-Y304 HydrophobicContact CG2-CE1 3.42Å; I293-Y304 VanDerWaalsContact CG2-CE1 3.42Å; I293-Y304 WeakPolarHBondContact CG2-OH 3.4Å; F301-Y304 WeakPolarHBondContact O-CB 3.44Å; F301-Y304 PolarHBondContact O-N 3.38Å; F301-Y304 VanDerWaalsContact O-N 3.11Å; W302-Y304 VanDerWaalsContact C-N 3.31Å; W302-Y304 PolarHBondContact O-N 3.01Å; Y304-A307 PolarHBondContact O-N 3.33Å; Y304-C308 WeakPolarHBondContact CE2-SG 3.11Å; Y304-C308 WeakPolarHBondContact O-CB 3.4Å; Y304-C308 PolarHBondContact O-N 3.22Å; Y304-C308 PolarHBondContact O-SG 3.25Å; Y304-C308 VanDerWaalsContact O-SG 3.38Å
305H93.8Very high92.9Very high27 Ų2770.1 Ų70.113%0.12533%0.332CS..Hα-helixtrans-64.9-41.1175.8-59.7165.3000112.1S297 P298 F301 W302 L303 C308 L309S297-H305 WeakPolarHBondContact CB-NE2 3.27Å; S297-H305 PolarHBondContact OG-NE2 3.5Å; P298-H305 PolarHBondContact O-CE1 3.47Å; F301-H305 PolarHBondContact O-N 3.24Å; F301-H305 VanDerWaalsContact O-N 3.14Å; W302-H305 PolarHBondContact O-N 3.04Å; W302-H305 VanDerWaalsContact O-N 3.16Å; L303-H305 VanDerWaalsContact C-N 3.35Å; H305-C308 PolarHBondContact O-N 3.33Å; H305-L309 VanDerWaalsContact O-CB 3.31Å; H305-L309 WeakPolarHBondContact O-CB 3.25Å; H305-L309 PolarHBondContact O-N 2.94Å
306W95.8Very high93.1Very high154 Ų15469.8 Ų69.858%0.58333%0.332SS*.Hα-helixtrans-64.2-41.7174.6-80.8111.5000112.3W302 L303 L309 A310W302-W306 AromaticContact CE3-CD1 3.45Å; W302-W306 VanDerWaalsContact CE3-CD1 3.45Å; W302-W306 AromaticContact CE3-NE1 3.53Å; W302-W306 AromaticContact CZ3-CD1 3.97Å; W302-W306 AromaticContact CZ3-NE1 3.95Å; W302-W306 PolarHBondContact O-N 3.38Å; L303-W306 PolarHBondContact O-N 3.26Å; W306-L309 HydrophobicContact CE3-CD2 3.9Å; W306-L309 HydrophobicContact CZ3-CD2 3.81Å; W306-L309 PolarHBondContact O-N 2.9Å; W306-A310 WeakPolarHBondContact O-CB 3.48Å; W306-A310 PolarHBondContact O-N 3.46Å
307A95.5Very high93.4Very high53 Ų5373.8 Ų73.844%0.43835%0.349SS..Hα-helixtrans-62.3-46.8175.300000111.7L303 Y304 L309 A310 L311L303-A307 WeakPolarHBondContact O-CB 2.97Å; L303-A307 PolarHBondContact O-N 2.92Å; Y304-A307 PolarHBondContact O-N 3.33Å; A307-L309 VanDerWaalsContact C-N 3.34Å; A307-L309 PolarHBondContact O-N 3.47Å; A307-A310 PolarHBondContact O-N 2.94Å; A307-L311 WeakPolarHBondContact O-CG 3.34Å; A307-L311 PolarHBondContact O-N 3.35Å
308C96.4Very high93.6Very high1 Ų174 Ų741%0.00735%0.35CS..Hα-helixtrans-65.1-36.1176.3-69.70000112.8L191 F290 I293 Y304 H305 L311 S312L191-C308 HydrophobicContact CD1-CB 3.82Å; F290-C308 HydrophobicContact CD2-CB 3.96Å; F290-C308 HydrophobicContact CE2-CB 4.37Å; I293-C308 HydrophobicContact CG2-CB 4.39Å; Y304-C308 WeakPolarHBondContact CE2-SG 3.11Å; Y304-C308 WeakPolarHBondContact O-CB 3.4Å; Y304-C308 PolarHBondContact O-N 3.22Å; Y304-C308 PolarHBondContact O-SG 3.25Å; Y304-C308 VanDerWaalsContact O-SG 3.38Å; H305-C308 PolarHBondContact O-N 3.33Å; C308-L311 PolarHBondContact O-N 3.31Å; C308-S312 WeakPolarHBondContact O-CB 3.46Å; C308-S312 PolarHBondContact O-N 2.77Å
309L96.5Very high93.9Very high65 Ų6572.4 Ų72.434%0.3434%0.34SS..Hα-helixtrans-64.2-45.6173.5177.659.9000110.7F290 H305 W306 A307 L311 S312 A313F290-L309 HydrophobicContact CD1-CD1 4.38Å; F290-L309 HydrophobicContact CD2-CB 4.32Å; F290-L309 HydrophobicContact CE1-CD1 3.75Å; F290-L309 HydrophobicContact CE2-CB 3.56Å; F290-L309 HydrophobicContact CE2-CD1 4.24Å; F290-L309 HydrophobicContact CE2-CG 4.46Å; F290-L309 HydrophobicContact CZ-CB 3.72Å; F290-L309 HydrophobicContact CZ-CD1 3.67Å; F290-L309 HydrophobicContact CZ-CG 4.16Å; H305-L309 VanDerWaalsContact O-CB 3.31Å; H305-L309 WeakPolarHBondContact O-CB 3.25Å; H305-L309 PolarHBondContact O-N 2.94Å; W306-L309 HydrophobicContact CE3-CD2 3.9Å; W306-L309 HydrophobicContact CZ3-CD2 3.81Å; W306-L309 PolarHBondContact O-N 2.9Å; A307-L309 VanDerWaalsContact C-N 3.34Å; A307-L309 PolarHBondContact O-N 3.47Å; L309-L311 PolarHBondContact O-N 3.12Å; L309-S312 PolarHBondContact O-N 3.18Å; L309-A313 VanDerWaalsContact O-CB 3.27Å; L309-A313 WeakPolarHBondContact O-CB 3.25Å; L309-A313 PolarHBondContact O-N 3.33Å
310A96.6Very high94.4Very high52 Ų5263.2 Ų63.243%0.4331%0.307SS..Hα-helixtrans-60.9-43.9177.500000111.3W306 A307 T314W306-A310 WeakPolarHBondContact O-CB 3.48Å; W306-A310 PolarHBondContact O-N 3.46Å; A307-A310 PolarHBondContact O-N 2.94Å; A310-T314 WeakPolarHBondContact O-CB 3.32Å; A310-T314 PolarHBondContact O-N 3.02Å; A310-T314 PolarHBondContact O-OG1 2.64Å
311L95.6Very high94.7Very high35 Ų3553.3 Ų53.318%0.18327%0.271CS..Hα-helixtrans-60-46.8174.8-73.6173.3000112.1L190 L194 A307 C308 L309 G315L190-L311 HydrophobicContact CD2-CD1 3.77Å; L190-L311 HydrophobicContact CD2-CD2 3.97Å; L190-L311 HydrophobicContact CG-CD1 4.18Å; L194-L311 HydrophobicContact CD1-CD1 4.22Å; A307-L311 WeakPolarHBondContact O-CG 3.34Å; A307-L311 PolarHBondContact O-N 3.35Å; C308-L311 PolarHBondContact O-N 3.31Å; L309-L311 PolarHBondContact O-N 3.12Å; L311-G315 PolarHBondContact O-N 2.9Å
312S96.7Very high94.8Very high4 Ų447.6 Ų47.63%0.02825%0.245CC..Hα-helixtrans-63.8-49.5178.7-171.40000111.6L286 C308 L309 T314 G315 I316L286-S312 PolarHBondContact O-OG 3.2Å; C308-S312 WeakPolarHBondContact O-CB 3.46Å; C308-S312 PolarHBondContact O-N 2.77Å; L309-S312 PolarHBondContact O-N 3.18Å; S312-T314 PolarHBondContact O-N 2.86Å; S312-G315 PolarHBondContact O-N 3.28Å; S312-I316 VanDerWaalsContact O-CG1 3.32Å; S312-I316 WeakPolarHBondContact O-CG1 3.3Å; S312-I316 PolarHBondContact O-N 3.18Å
313A96.8Very high94.8Very high51 Ų5141.2 Ų41.242%0.42122%0.222SC..Hα-helixtrans-63.9-41.8179.600000112.2L309 I316 F317L309-A313 VanDerWaalsContact O-CB 3.27Å; L309-A313 WeakPolarHBondContact O-CB 3.25Å; L309-A313 PolarHBondContact O-N 3.33Å; A313-I316 PolarHBondContact O-N 2.85Å; A313-F317 WeakPolarHBondContact O-CB 3.33Å; A313-F317 PolarHBondContact O-N 3.04Å
314T96.7Very high94.4Very high64 Ų6436.7 Ų36.739%0.39320%0.199SC..Hα-helixtrans-63.7-43.5175.3-55.40000110.6A310 S312 I316 F317 C318A310-T314 WeakPolarHBondContact O-CB 3.32Å; A310-T314 PolarHBondContact O-N 3.02Å; A310-T314 PolarHBondContact O-OG1 2.64Å; S312-T314 PolarHBondContact O-N 2.86Å; T314-I316 PolarHBondContact O-N 3.38Å; T314-F317 PolarHBondContact O-N 3.19Å; T314-C318 VanDerWaalsContact O-CB 3.28Å; T314-C318 WeakPolarHBondContact O-CB 3.44Å; T314-C318 PolarHBondContact O-N 2.65Å; T314-C318 PolarHBondContact O-SG 3.28Å
315G95.6Very high94.3Very high0 Ų034 Ų340%019%0.188CC..Hα-helixtrans-57.2-49.1174.700000112.4L311 S312 F317 C318 I319L311-G315 PolarHBondContact O-N 2.9Å; S312-G315 PolarHBondContact O-N 3.28Å; G315-F317 PolarHBondContact O-N 2.9Å; G315-C318 WeakPolarHBondContact O-CB 3.42Å; G315-C318 PolarHBondContact O-N 2.79Å; G315-I319 WeakPolarHBondContact O-CG1 3.49Å; G315-I319 PolarHBondContact O-N 3.11Å
316I95.8Very high94.3Very high31 Ų3133 Ų3316%0.15918%0.183CC..Hα-helixtrans-61.9-43.6178.6-65.6167000111.7T283 L286 T287 S312 A313 T314 C318 I319 L320 V330T283-I316 HydrophobicContact CG2-CD1 4.42Å; T283-I316 HydrophobicContact CG2-CG1 4.3Å; L286-I316 HydrophobicContact CB-CG1 4.44Å; L286-I316 HydrophobicContact CD1-CG1 4.15Å; T287-I316 HydrophobicContact CG2-CD1 3.56Å; S312-I316 VanDerWaalsContact O-CG1 3.32Å; S312-I316 WeakPolarHBondContact O-CG1 3.3Å; S312-I316 PolarHBondContact O-N 3.18Å; A313-I316 PolarHBondContact O-N 2.85Å; T314-I316 PolarHBondContact O-N 3.38Å; I316-C318 VanDerWaalsContact C-N 3.33Å; I316-C318 PolarHBondContact O-N 3.47Å; I316-I319 WeakPolarHBondContact O-CB 3.47Å; I316-I319 PolarHBondContact O-N 3.26Å; I316-L320 PolarHBondContact O-N 3.23Å; I316-V330 HydrophobicContact CG2-CG1 3.41Å; I316-V330 VanDerWaalsContact CG2-CG1 3.41Å
317F95.8Very high94.2Very high91 Ų9127.4 Ų27.440%0.39917%0.167SC..Hα-helixtrans-62.6-41.8176-179.7-101.9000111.7F170 F174 A313 T314 G315 I319 L320 L321F170-F317 HydrophobicContact CE2-CD2 4.36Å; F170-F317 HydrophobicContact CE2-CE2 4.01Å; F170-F317 HydrophobicContact CZ-CD2 4.19Å; F170-F317 AromaticContact CZ-CE2 3.75Å; F170-F317 HydrophobicContact CZ-CE2 3.75Å; F170-F317 HydrophobicContact CZ-CZ 4.38Å; F174-F317 HydrophobicContact CE1-CZ 4.48Å; A313-F317 WeakPolarHBondContact O-CB 3.33Å; A313-F317 PolarHBondContact O-N 3.04Å; T314-F317 PolarHBondContact O-N 3.19Å; G315-F317 PolarHBondContact O-N 2.9Å; F317-I319 VanDerWaalsContact C-N 3.32Å; F317-I319 PolarHBondContact O-N 2.81Å; F317-L320 PolarHBondContact O-N 2.93Å; F317-L321 HydrophobicContact CE1-CD2 4.07Å; F317-L321 WeakPolarHBondContact O-CB 3.25Å; F317-L321 PolarHBondContact O-N 3.49Å
318C95.1Very high94.1Very high6 Ų628.7 Ų28.74%0.04117%0.169CC..Hα-helixtrans-64.5-31.9176.7-77.90000113.4A180 C184 T314 G315 I316 L320 L321 A322A180-C318 HydrophobicContact CB-CB 4.26Å; A180-C318 WeakPolarHBondContact CB-O 3.48Å; A180-C318 WeakPolarHBondContact O-CB 3.45Å; C184-C318 HydrophobicContact CB-CB 3.94Å; T314-C318 VanDerWaalsContact O-CB 3.28Å; T314-C318 WeakPolarHBondContact O-CB 3.44Å; T314-C318 PolarHBondContact O-N 2.65Å; T314-C318 PolarHBondContact O-SG 3.28Å; G315-C318 WeakPolarHBondContact O-CB 3.42Å; G315-C318 PolarHBondContact O-N 2.79Å; I316-C318 VanDerWaalsContact C-N 3.33Å; I316-C318 PolarHBondContact O-N 3.47Å; C318-L320 VanDerWaalsContact C-N 3.35Å; C318-L321 PolarHBondContact O-N 3.19Å; C318-A322 WeakPolarHBondContact O-CB 3.49Å; C318-A322 PolarHBondContact O-N 3.39Å
319I93.2Very high93.9Very high0 Ų028.7 Ų28.70%017%0.168CC..Hα-helixtrans-58.6-49.1171.6-68.7169.5000110.3C184 H282 T283 L286 G315 I316 F317 A322 D324 H325 V330C184-I319 HydrophobicContact CB-CG1 4.1Å; C184-I319 WeakPolarHBondContact SG-CG1 3.45Å; H282-I319 HydrophobicContact CB-CD1 3.64Å; H282-I319 HydrophobicContact CB-CG1 4.47Å; T283-I319 WeakPolarHBondContact OG1-CD1 3.46Å; L286-I319 HydrophobicContact CD1-CD1 4.08Å; G315-I319 WeakPolarHBondContact O-CG1 3.49Å; G315-I319 PolarHBondContact O-N 3.11Å; I316-I319 WeakPolarHBondContact O-CB 3.47Å; I316-I319 PolarHBondContact O-N 3.26Å; F317-I319 VanDerWaalsContact C-N 3.32Å; F317-I319 PolarHBondContact O-N 2.81Å; I319-A322 PolarHBondContact O-N 3.27Å; I319-D324 PolarHBondContact O-N 3.4Å; I319-H325 HydrophobicContact CG2-CB 3.78Å; I319-V330 HydrophobicContact CG2-CG2 4.16Å
320L93.7Very high93.9Very high16 Ų1626.1 Ų26.18%0.08416%0.155CC..Hα-helixtrans-67.2-41.3179.8-64.4177.2000111.2F170 I316 F317 C318 A322 H323 V330F170-L320 HydrophobicContact CD1-CB 3.76Å; F170-L320 HydrophobicContact CD2-CB 4.41Å; F170-L320 HydrophobicContact CD2-CD1 4.07Å; F170-L320 HydrophobicContact CE1-CB 3.45Å; F170-L320 VanDerWaalsContact CE1-CB 3.45Å; F170-L320 HydrophobicContact CE2-CB 4.13Å; F170-L320 HydrophobicContact CE2-CD1 4.05Å; F170-L320 HydrophobicContact CG-CB 4.24Å; F170-L320 HydrophobicContact CG-CD1 4.43Å; F170-L320 HydrophobicContact CZ-CB 3.65Å; F170-L320 HydrophobicContact CZ-CD1 4.41Å; I316-L320 PolarHBondContact O-N 3.23Å; F317-L320 PolarHBondContact O-N 2.93Å; C318-L320 VanDerWaalsContact C-N 3.35Å; L320-A322 VanDerWaalsContact C-N 3.27Å; L320-A322 PolarHBondContact O-N 3.32Å; L320-H323 PolarHBondContact O-CD2 3.22Å; L320-H323 PolarHBondContact O-N 2.97Å; L320-V330 HydrophobicContact CD2-CB 4.13Å; L320-V330 HydrophobicContact CD2-CG2 3.54Å; L320-V330 HydrophobicContact CG-CG2 4.08Å
321L94Very high93.8Very high16 Ų1627.9 Ų27.98%0.08416%0.161CC..Hα-helixtrans-66.4-26.3179.8-17064.5000113.5F174 R176 R177 W179 A180 F317 C318 H323F174-L321 HydrophobicContact CB-CD1 4.03Å; F174-L321 HydrophobicContact CD1-CD1 4.46Å; F174-L321 HydrophobicContact CG-CD1 4.5Å; R176-L321 WeakPolarHBondContact CA-O 3.4Å; R177-L321 HydrophobicContact CB-CD2 4.14Å; R177-L321 HydrophobicContact CB-CG 3.98Å; R177-L321 HydrophobicContact CG-CD1 4.09Å; R177-L321 HydrophobicContact CG-CD2 3.94Å; R177-L321 HydrophobicContact CG-CG 3.87Å; R177-L321 PolarHBondContact N-O 3.01Å; W179-L321 HydrophobicContact CH2-CD2 4.17Å; A180-L321 HydrophobicContact CB-CB 4.03Å; A180-L321 HydrophobicContact CB-CD2 4.1Å; A180-L321 HydrophobicContact CB-CG 4.14Å; F317-L321 HydrophobicContact CE1-CD2 4.07Å; F317-L321 WeakPolarHBondContact O-CB 3.25Å; F317-L321 PolarHBondContact O-N 3.49Å; C318-L321 PolarHBondContact O-N 3.19Å; L321-H323 PolarHBondContact O-N 3.39Å
322A90.3Very high93.8Very high1 Ų128.5 Ų28.51%0.00817%0.166CC..THydrogen-bonded Turntrans-73.1-14.9172.500000113.3R176 A180 F181 C318 I319 L320 D324R176-A322 WeakPolarHBondContact CD-O 3.47Å; R176-A322 WeakPolarHBondContact CG-O 2.99Å; R176-A322 PolarHBondContact NE-O 3.31Å; A180-A322 HydrophobicContact CB-CB 4.22Å; F181-A322 HydrophobicContact CB-CB 3.7Å; F181-A322 HydrophobicContact CD2-CB 4.25Å; F181-A322 HydrophobicContact CG-CB 4.45Å; C318-A322 WeakPolarHBondContact O-CB 3.49Å; C318-A322 PolarHBondContact O-N 3.39Å; I319-A322 PolarHBondContact O-N 3.27Å; L320-A322 VanDerWaalsContact C-N 3.27Å; L320-A322 PolarHBondContact O-N 3.32Å; A322-D324 HydrophobicContact CB-CB 4.13Å; A322-D324 PolarHBondContact O-N 3.48Å
323H90.8Very high93.8Very high23 Ų2328.3 Ų28.311%0.10616%0.164CC..THydrogen-bonded Turntrans58.431.4-167.3-60.9-176.1000112.4F171 F174 R176 P235 L320 L321F171-H323 HydrophobicContact CD1-CB 4.37Å; F171-H323 AromaticContact CD1-CD2 3.41Å; F171-H323 VanDerWaalsContact CD1-CD2 3.41Å; F171-H323 WeakPolarHBondContact CD1-CD2 3.31Å; F171-H323 AromaticContact CD1-CG 3.81Å; F171-H323 AromaticContact CD1-NE2 3.7Å; F171-H323 HydrophobicContact CE1-CB 4.09Å; F171-H323 AromaticContact CE1-CD2 3.77Å; F171-H323 HydrophobicContact CZ-CB 4.18Å; F174-H323 PolarHBondContact O-CE1 2.9Å; F174-H323 PolarHBondContact O-NE2 3.5Å; R176-H323 HydrophobicContact CG-CB 4.45Å; R176-H323 PolarHBondContact N-CE1 3.42Å; P235-H323 WeakPolarHBondContact CG-O 3.36Å; L320-H323 PolarHBondContact O-CD2 3.22Å; L320-H323 PolarHBondContact O-N 2.97Å; L321-H323 PolarHBondContact O-N 3.39Å
324D85.5Confident93.7Very high20 Ų2031.8 Ų31.811%0.10717%0.168CC..  trans-86.8-27.1-175-89.227.2000113.4F181 P235 H238 F239 Y277 I319 A322F181-D324 HydrophobicContact CD2-CB 3.75Å; F181-D324 WeakPolarHBondContact CD2-OD2 3.33Å; F181-D324 HydrophobicContact CE2-CB 3.91Å; F181-D324 VanDerWaalsContact CE2-OD2 3.27Å; F181-D324 WeakPolarHBondContact CE2-OD2 3.39Å; F181-D324 WeakPolarHBondContact CG-OD2 3.29Å; P235-D324 WeakPolarHBondContact CG-O 3.36Å; H238-D324 IonicContact NE2-OD1 3.45Å; F239-D324 HydrophobicContact CZ-CB 4.07Å; F239-D324 WeakPolarHBondContact CZ-OD1 3.35Å; Y277-D324 WeakPolarHBondContact CE1-O 3.46Å; I319-D324 PolarHBondContact O-N 3.4Å; A322-D324 HydrophobicContact CB-CB 4.13Å; A322-D324 PolarHBondContact O-N 3.48Å
325H91.3Very high93.7Very high4 Ų434 Ų342%0.01917%0.172CC..SBendtrans-134.5148.7174.1-73.4-83.8000109.6F171 D276 S280 H282 I319 D329F171-H325 WeakPolarHBondContact CZ-O 3.4Å; D276-H325 PolarHBondContact O-CE1 2.76Å; D276-H325 IonicContact OD2-CE1 3.22Å; S280-H325 PolarHBondContact OG-CD2 3.26Å; S280-H325 PolarHBondContact OG-NE2 2.82Å; H282-H325 AromaticContact ND1-NE2 3.96Å; I319-H325 HydrophobicContact CG2-CB 3.78Å; H325-D329 HydrophobicContact CB-CB 4.33Å; H325-D329 IonicContact CE1-OD2 3.91Å; H325-D329 IonicContact CG-OD2 3.95Å; H325-D329 IonicContact ND1-OD2 3.68Å; H325-D329 PolarHBondContact ND1-OD2 3.19Å
326Y92.7Very high93.8Very high6 Ų636 Ų362%0.02418%0.182CC..  trans-65.2155.5172.3-66.4-74.9000111.4L166 D168 F171 L232 P233 P235 V328 D329 V330L166-Y326 HydrophobicContact CB-CE1 3.86Å; L166-Y326 PolarHBondContact N-OH 3.31Å; D168-Y326 HydrophobicContact CB-CD1 4.25Å; F171-Y326 AromaticContact CE2-CD1 3.86Å; F171-Y326 HydrophobicContact CE2-CD1 3.86Å; F171-Y326 HydrophobicContact CE2-CE1 4.11Å; F171-Y326 HydrophobicContact CZ-CD1 4.34Å; L232-Y326 HydrophobicContact CB-CE2 4.29Å; L232-Y326 HydrophobicContact CD1-CD2 4.2Å; L232-Y326 HydrophobicContact CD1-CE2 4.48Å; P233-Y326 VanDerWaalsContact O-CE2 3.25Å; P233-Y326 WeakPolarHBondContact O-CE2 3.32Å; P233-Y326 PolarHBondContact O-OH 2.92Å; P235-Y326 WeakPolarHBondContact CA-OH 3.5Å; P235-Y326 HydrophobicContact CB-CD1 4.24Å; P235-Y326 HydrophobicContact CB-CD2 4.28Å; P235-Y326 HydrophobicContact CB-CE1 3.9Å; P235-Y326 HydrophobicContact CB-CE2 3.94Å; P235-Y326 HydrophobicContact CB-CG 4.42Å; Y326-V328 VanDerWaalsContact C-N 3.29Å; Y326-V328 PolarHBondContact O-N 3.47Å; Y326-D329 WeakPolarHBondContact O-CB 3.31Å; Y326-D329 PolarHBondContact O-N 3.33Å; Y326-D329 VanDerWaalsContact O-N 3.1Å; Y326-V330 PolarHBondContact O-N 2.88Å
327T93.8Very high93.8Very high37 Ų3734.5 Ų34.523%0.22718%0.175CC..Hα-helixtrans-61.2-39.7174.7-57.10000111.6D168 F170 D329 V330 V331D168-T327 VanDerWaalsContact CG-OG1 3.29Å; D168-T327 WeakPolarHBondContact OD1-CB 3.19Å; D168-T327 PolarHBondContact OD1-OG1 3.3Å; D168-T327 WeakPolarHBondContact OD2-CB 3.45Å; D168-T327 PolarHBondContact OD2-N 3.16Å; D168-T327 PolarHBondContact OD2-OG1 3.48Å; F170-T327 WeakPolarHBondContact CB-OG1 3.37Å; T327-D329 PolarHBondContact O-N 2.86Å; T327-V330 PolarHBondContact O-N 3.24Å; T327-V331 HydrophobicContact CG2-CG2 4.37Å; T327-V331 WeakPolarHBondContact O-CG2 3.36Å; T327-V331 PolarHBondContact O-N 3.38Å
328V93.6Very high93.8Very high80 Ų8030.5 Ų30.549%0.48516%0.157SC..Hα-helixtrans-59.9-35.7176.268.30000111.7Y326 V331 V332Y326-V328 VanDerWaalsContact C-N 3.29Å; Y326-V328 PolarHBondContact O-N 3.47Å; V328-V331 PolarHBondContact O-N 3.18Å; V328-V332 HydrophobicContact CG2-CG2 4.16Å; V328-V332 WeakPolarHBondContact O-CB 3.37Å; V328-V332 VanDerWaalsContact O-CG2 3.26Å; V328-V332 WeakPolarHBondContact O-CG2 3.17Å; V328-V332 PolarHBondContact O-N 3.16Å
329D93Very high93.9Very high0 Ų034.2 Ų34.20%017%0.171CC..Hα-helixtrans-62.5-50179.6-174.6-5.9000110.4Y277 Y279 S280 H325 Y326 T327 V331 V332 A333Y277-D329 WeakPolarHBondContact CA-OD2 3.24Å; Y279-D329 WeakPolarHBondContact CA-OD1 3.48Å; S280-D329 VanDerWaalsContact CA-OD1 3.3Å; S280-D329 WeakPolarHBondContact CA-OD1 3.46Å; S280-D329 VanDerWaalsContact CB-OD1 3.28Å; S280-D329 WeakPolarHBondContact CB-OD1 3.46Å; S280-D329 PolarHBondContact N-OD1 3.35Å; H325-D329 HydrophobicContact CB-CB 4.33Å; H325-D329 IonicContact CE1-OD2 3.91Å; H325-D329 IonicContact CG-OD2 3.95Å; H325-D329 IonicContact ND1-OD2 3.68Å; H325-D329 PolarHBondContact ND1-OD2 3.19Å; Y326-D329 WeakPolarHBondContact O-CB 3.31Å; Y326-D329 PolarHBondContact O-N 3.33Å; Y326-D329 VanDerWaalsContact O-N 3.1Å; T327-D329 PolarHBondContact O-N 2.86Å; D329-V331 PolarHBondContact O-N 2.9Å; D329-V332 PolarHBondContact O-N 3.01Å; D329-A333 VanDerWaalsContact O-CB 3.26Å; D329-A333 WeakPolarHBondContact O-CB 3.43Å; D329-A333 PolarHBondContact O-N 2.97Å
330V95.1Very high94Very high11 Ų1134.4 Ų34.47%0.06717%0.172CC..Hα-helixtrans-62.1-42.7176.6173.90000112.2T283 I316 I319 L320 Y326 T327 A333 Y334T283-V330 HydrophobicContact CG2-CG1 4.02Å; I316-V330 HydrophobicContact CG2-CG1 3.41Å; I316-V330 VanDerWaalsContact CG2-CG1 3.41Å; I319-V330 HydrophobicContact CG2-CG2 4.16Å; L320-V330 HydrophobicContact CD2-CB 4.13Å; L320-V330 HydrophobicContact CD2-CG2 3.54Å; L320-V330 HydrophobicContact CG-CG2 4.08Å; Y326-V330 PolarHBondContact O-N 2.88Å; T327-V330 PolarHBondContact O-N 3.24Å; V330-A333 PolarHBondContact O-N 3.24Å; V330-Y334 WeakPolarHBondContact O-CB 3.34Å; V330-Y334 PolarHBondContact O-N 3.41Å
331V95.6Very high94.1Very high89 Ų8933.7 Ų33.754%0.53917%0.168SC..Hα-helixtrans-65.9-45.9-179.6171.80000111.4T327 V328 D329 Y334 F335T327-V331 HydrophobicContact CG2-CG2 4.37Å; T327-V331 WeakPolarHBondContact O-CG2 3.36Å; T327-V331 PolarHBondContact O-N 3.38Å; V328-V331 PolarHBondContact O-N 3.18Å; D329-V331 PolarHBondContact O-N 2.9Å; V331-Y334 PolarHBondContact O-N 3.33Å; V331-F335 WeakPolarHBondContact O-CB 3.25Å; V331-F335 PolarHBondContact O-N 3.43Å
332V95.3Very high94.1Very high48 Ų4838.7 Ų38.729%0.29119%0.186SC..Hα-helixtrans-65-41.7177.8171.90000110.5Y279 V328 D329 F335 I336Y279-V332 HydrophobicContact CD1-CG1 4.47Å; Y279-V332 HydrophobicContact CG-CG1 4.42Å; V328-V332 HydrophobicContact CG2-CG2 4.16Å; V328-V332 WeakPolarHBondContact O-CB 3.37Å; V328-V332 VanDerWaalsContact O-CG2 3.26Å; V328-V332 WeakPolarHBondContact O-CG2 3.17Å; V328-V332 PolarHBondContact O-N 3.16Å; D329-V332 PolarHBondContact O-N 3.01Å; V332-F335 WeakPolarHBondContact O-CB 3.42Å; V332-F335 PolarHBondContact O-N 3.43Å; V332-I336 HydrophobicContact CG1-CD1 3.63Å; V332-I336 HydrophobicContact CG1-CG1 4.25Å; V332-I336 WeakPolarHBondContact O-CG1 3.42Å; V332-I336 PolarHBondContact O-N 3.28Å
333A95.7Very high94.2Very high0 Ų045 Ų450%021%0.209CC..Hα-helixtrans-57.5-51.5174.800000111.9Y279 T283 V284 D329 V330 F335 I336 T337Y279-A333 VanDerWaalsContact CD2-CA 3.44Å; Y279-A333 HydrophobicContact CD2-CB 3.55Å; Y279-A333 HydrophobicContact CE2-CB 4.44Å; Y279-A333 HydrophobicContact CG-CB 4.25Å; T283-A333 HydrophobicContact CG2-CB 3.73Å; V284-A333 HydrophobicContact CG2-CB 4.18Å; D329-A333 VanDerWaalsContact O-CB 3.26Å; D329-A333 WeakPolarHBondContact O-CB 3.43Å; D329-A333 PolarHBondContact O-N 2.97Å; V330-A333 PolarHBondContact O-N 3.24Å; A333-F335 VanDerWaalsContact C-N 3.28Å; A333-F335 PolarHBondContact O-N 2.92Å; A333-I336 PolarHBondContact O-N 3.41Å; A333-T337 VanDerWaalsContact O-CB 3.3Å; A333-T337 WeakPolarHBondContact O-CB 3.46Å; A333-T337 PolarHBondContact O-N 3.18Å; A333-T337 PolarHBondContact O-OG1 3.4Å; A333-T337 VanDerWaalsContact O-OG1 3.08Å
334Y96.3Very high94.3Very high125 Ų12543.9 Ų43.949%0.4920%0.204SC..Hα-helixtrans-57.8-42.3175.7174.9-97.2000111.7T287 V330 V331 T338T287-Y334 HydrophobicContact CG2-CD2 3.97Å; V330-Y334 WeakPolarHBondContact O-CB 3.34Å; V330-Y334 PolarHBondContact O-N 3.41Å; V331-Y334 PolarHBondContact O-N 3.33Å; Y334-T338 HydrophobicContact CD2-CG2 4.04Å; Y334-T338 HydrophobicContact CE1-CG2 4.3Å; Y334-T338 HydrophobicContact CE2-CG2 3.7Å; Y334-T338 HydrophobicContact CG-CG2 4.49Å; Y334-T338 WeakPolarHBondContact O-CB 3.05Å; Y334-T338 VanDerWaalsContact O-CG2 3.31Å; Y334-T338 WeakPolarHBondContact O-CG2 3.48Å; Y334-T338 PolarHBondContact O-N 2.86Å; Y334-T338 VanDerWaalsContact O-N 3.1Å; Y334-T338 PolarHBondContact O-OG1 3.11Å
335F96.7Very high94.6Very high110 Ų11043.1 Ų43.148%0.48220%0.2SC..Hα-helixtrans-61.1-56.7179.1-172.8-73.7000111.6V331 V332 A333 T337 T338 R339V331-F335 WeakPolarHBondContact O-CB 3.25Å; V331-F335 PolarHBondContact O-N 3.43Å; V332-F335 WeakPolarHBondContact O-CB 3.42Å; V332-F335 PolarHBondContact O-N 3.43Å; A333-F335 VanDerWaalsContact C-N 3.28Å; A333-F335 PolarHBondContact O-N 2.92Å; F335-T337 PolarHBondContact O-N 3.4Å; F335-T338 PolarHBondContact O-OG1 2.9Å; F335-T338 VanDerWaalsContact O-OG1 3.09Å; F335-R339 HydrophobicContact CD1-CG 4.06Å; F335-R339 HydrophobicContact CE1-CG 3.76Å; F335-R339 VanDerWaalsContact CE2-NE 3.27Å; F335-R339 HydrophobicContact CZ-CG 4.24Å; F335-R339 VanDerWaalsContact CZ-NE 3.28Å; F335-R339 WeakPolarHBondContact O-CB 3.41Å; F335-R339 WeakPolarHBondContact O-CD 3.2Å; F335-R339 WeakPolarHBondContact O-CG 3.07Å; F335-R339 PolarHBondContact O-N 3.34Å; F335-R339 VanDerWaalsContact O-N 3.11Å
336I95.9Very high94.6Very high42 Ų4246.4 Ų46.422%0.21522%0.221CC..Hα-helixtrans-64.6-43.7-175.1-64.4173.1000110.4L219 Y222 Y279 V332 A333 R339 L340L219-I336 HydrophobicContact CD2-CG2 3.74Å; Y222-I336 HydrophobicContact CD2-CG2 4.17Å; Y279-I336 HydrophobicContact CD1-CD1 3.82Å; Y279-I336 HydrophobicContact CE1-CD1 3.69Å; Y279-I336 HydrophobicContact CG-CD1 4.49Å; V332-I336 HydrophobicContact CG1-CD1 3.63Å; V332-I336 HydrophobicContact CG1-CG1 4.25Å; V332-I336 WeakPolarHBondContact O-CG1 3.42Å; V332-I336 PolarHBondContact O-N 3.28Å; A333-I336 PolarHBondContact O-N 3.41Å; I336-R339 PolarHBondContact O-N 3.39Å; I336-L340 WeakPolarHBondContact O-CB 3.18Å; I336-L340 PolarHBondContact O-N 3.06Å
337T96.8Very high94.4Very high0 Ų046.1 Ų46.10%022%0.22CC..Hα-helixtrans-62.3-48.8-178.6-65.40000112.5L219 T287 L288 A333 F335 F341L219-T337 HydrophobicContact CD1-CG2 3.96Å; T287-T337 WeakPolarHBondContact OG1-CG2 3.28Å; L288-T337 HydrophobicContact CB-CG2 3.81Å; L288-T337 HydrophobicContact CD1-CG2 4.02Å; L288-T337 HydrophobicContact CG-CG2 4.5Å; A333-T337 VanDerWaalsContact O-CB 3.3Å; A333-T337 WeakPolarHBondContact O-CB 3.46Å; A333-T337 PolarHBondContact O-N 3.18Å; A333-T337 PolarHBondContact O-OG1 3.4Å; A333-T337 VanDerWaalsContact O-OG1 3.08Å; F335-T337 PolarHBondContact O-N 3.4Å; T337-F341 VanDerWaalsContact O-CB 3.27Å; T337-F341 WeakPolarHBondContact O-CB 3.29Å; T337-F341 PolarHBondContact O-N 2.68Å
338T96.3Very high94.1Very high6 Ų644.4 Ų44.44%0.03721%0.209CC..Hα-helixtrans-64.3-43.7179.450.80000111.6L291 Y334 F335 F341 W342L291-T338 HydrophobicContact CD1-CG2 4.09Å; Y334-T338 HydrophobicContact CD2-CG2 4.04Å; Y334-T338 HydrophobicContact CE1-CG2 4.3Å; Y334-T338 HydrophobicContact CE2-CG2 3.7Å; Y334-T338 HydrophobicContact CG-CG2 4.49Å; Y334-T338 WeakPolarHBondContact O-CB 3.05Å; Y334-T338 VanDerWaalsContact O-CG2 3.31Å; Y334-T338 WeakPolarHBondContact O-CG2 3.48Å; Y334-T338 PolarHBondContact O-N 2.86Å; Y334-T338 VanDerWaalsContact O-N 3.1Å; Y334-T338 PolarHBondContact O-OG1 3.11Å; F335-T338 PolarHBondContact O-OG1 2.9Å; F335-T338 VanDerWaalsContact O-OG1 3.09Å; T338-F341 PolarHBondContact O-N 3.16Å; T338-W342 PolarHBondContact O-N 3.13Å
339R95.9Very high93.7Very high84 Ų8442.6 Ų42.632%0.31720%0.196SC..Hα-helixtrans-62.8-49.2-178.9-83.543150.3-167.818110.8F335 I336 F341 W342 W343F335-R339 HydrophobicContact CD1-CG 4.06Å; F335-R339 HydrophobicContact CE1-CG 3.76Å; F335-R339 VanDerWaalsContact CE2-NE 3.27Å; F335-R339 HydrophobicContact CZ-CG 4.24Å; F335-R339 VanDerWaalsContact CZ-NE 3.28Å; F335-R339 WeakPolarHBondContact O-CB 3.41Å; F335-R339 WeakPolarHBondContact O-CD 3.2Å; F335-R339 WeakPolarHBondContact O-CG 3.07Å; F335-R339 PolarHBondContact O-N 3.34Å; F335-R339 VanDerWaalsContact O-N 3.11Å; I336-R339 PolarHBondContact O-N 3.39Å; R339-F341 VanDerWaalsContact C-N 3.33Å; R339-F341 PolarHBondContact O-N 2.84Å; R339-W342 PolarHBondContact O-N 3.25Å; R339-W343 WeakPolarHBondContact O-CB 3.43Å; R339-W343 VanDerWaalsContact O-CG 3.27Å; R339-W343 PolarHBondContact O-N 3.46Å
340L95.4Very high93.3Very high5 Ų547.5 Ų47.53%0.02622%0.219CC..Hα-helixtrans-62.4-42.1178.7-174.465.1000111.4I215 T218 L219 I336 Y344 W367I215-L340 HydrophobicContact CG2-CD2 4.05Å; I215-L340 HydrophobicContact CG2-CG 4.35Å; T218-L340 HydrophobicContact CG2-CD1 4.42Å; T218-L340 HydrophobicContact CG2-CD2 3.82Å; L219-L340 HydrophobicContact CD1-CD2 4.48Å; L219-L340 HydrophobicContact CD2-CB 4.32Å; L219-L340 HydrophobicContact CD2-CD2 3.64Å; L219-L340 HydrophobicContact CG-CD2 3.7Å; I336-L340 WeakPolarHBondContact O-CB 3.18Å; I336-L340 PolarHBondContact O-N 3.06Å; L340-Y344 WeakPolarHBondContact O-CB 3.35Å; L340-Y344 PolarHBondContact O-N 3.38Å; L340-W367 HydrophobicContact CD1-CZ2 3.71Å
341F96.1Very high92.5Very high0 Ų050.4 Ų50.40%023%0.232CC..Hα-helixtrans-58.7-51.1176.5-179.4-89000111.9I215 L288 L291 F292 E295 T337 T338 R339 Y344 H345I215-F341 HydrophobicContact CD1-CD2 4.35Å; L288-F341 HydrophobicContact CD1-CD2 3.96Å; L291-F341 HydrophobicContact CB-CD1 4.22Å; L291-F341 HydrophobicContact CB-CD2 4Å; L291-F341 HydrophobicContact CB-CE1 4.09Å; L291-F341 HydrophobicContact CB-CE2 3.84Å; L291-F341 HydrophobicContact CB-CG 4.19Å; L291-F341 HydrophobicContact CB-CZ 3.9Å; L291-F341 HydrophobicContact CD1-CB 4.01Å; L291-F341 HydrophobicContact CD1-CD1 4.11Å; L291-F341 HydrophobicContact CD1-CD2 4.35Å; L291-F341 HydrophobicContact CD1-CG 3.9Å; F292-F341 HydrophobicContact CD1-CE2 4.47Å; F292-F341 HydrophobicContact CD2-CD2 4.04Å; F292-F341 AromaticContact CD2-CE2 3.66Å; F292-F341 HydrophobicContact CD2-CE2 3.66Å; F292-F341 AromaticContact CE2-CD2 3.88Å; F292-F341 HydrophobicContact CE2-CD2 3.88Å; F292-F341 AromaticContact CE2-CE2 3.76Å; F292-F341 HydrophobicContact CE2-CE2 3.76Å; F292-F341 HydrophobicContact CG-CE2 4.05Å; F292-F341 HydrophobicContact CZ-CE2 4.21Å; E295-F341 HydrophobicContact CB-CZ 3.84Å; E295-F341 HydrophobicContact CG-CZ 4.21Å; T337-F341 VanDerWaalsContact O-CB 3.27Å; T337-F341 WeakPolarHBondContact O-CB 3.29Å; T337-F341 PolarHBondContact O-N 2.68Å; T338-F341 PolarHBondContact O-N 3.16Å; R339-F341 VanDerWaalsContact C-N 3.33Å; R339-F341 PolarHBondContact O-N 2.84Å; F341-Y344 PolarHBondContact O-N 2.76Å; F341-H345 AromaticContact CD1-ND1 3.91Å; F341-H345 AromaticContact CD2-CE1 3.49Å; F341-H345 VanDerWaalsContact CD2-CE1 3.49Å; F341-H345 WeakPolarHBondContact CD2-CE1 3.44Å; F341-H345 AromaticContact CD2-ND1 3.72Å; F341-H345 AromaticContact CE1-ND1 3.8Å; F341-H345 AromaticContact CE2-CE1 3.11Å; F341-H345 WeakPolarHBondContact CE2-CE1 3.35Å; F341-H345 AromaticContact CE2-ND1 3.63Å; F341-H345 AromaticContact CE2-NE2 3.82Å; F341-H345 AromaticContact CG-ND1 3.86Å; F341-H345 AromaticContact CZ-CE1 3.42Å; F341-H345 VanDerWaalsContact CZ-CE1 3.42Å; F341-H345 WeakPolarHBondContact CZ-CE1 3.29Å; F341-H345 AromaticContact CZ-ND1 3.66Å; F341-H345 AromaticContact CZ-NE2 3.83Å; F341-H345 PolarHBondContact O-N 3.47Å; F341-H345 PolarHBondContact O-ND1 3.42Å
342W94.3Very high91.7Very high122 Ų12249.6 Ų49.646%0.46223%0.23SC..Hα-helixtrans-68.2-42.1-178.3-65.1124.5000112.3L291 T338 R339 Y344 H345 T346L291-W342 HydrophobicContact CD2-CZ2 4.13Å; T338-W342 PolarHBondContact O-N 3.13Å; R339-W342 PolarHBondContact O-N 3.25Å; W342-Y344 PolarHBondContact O-N 3.09Å; W342-H345 PolarHBondContact O-N 3.42Å; W342-T346 VanDerWaalsContact O-CB 3.25Å; W342-T346 WeakPolarHBondContact O-CB 3.38Å; W342-T346 PolarHBondContact O-N 2.95Å; W342-T346 PolarHBondContact O-OG1 3Å
343W92.4Very high90.9Very high132 Ų13249.2 Ų49.250%0.523%0.226SC..Hα-helixtrans-59.3-48.4174.8-72.3-15.2000111.3R339 H345 T346 I347R339-W343 WeakPolarHBondContact O-CB 3.43Å; R339-W343 VanDerWaalsContact O-CG 3.27Å; R339-W343 PolarHBondContact O-N 3.46Å; W343-H345 PolarHBondContact O-N 3.46Å; W343-T346 PolarHBondContact O-N 3Å; W343-I347 WeakPolarHBondContact O-CD1 3.44Å; W343-I347 WeakPolarHBondContact O-CG1 3.42Å; W343-I347 PolarHBondContact O-N 3.2Å; W343-I347 VanDerWaalsContact O-N 3.09Å
344Y92.8Very high90Very high0 Ų050.2 Ų50.20%023%0.231CC..Hα-helixtrans-57.7-50.8178.2-173.8-80.8000111.8R211 F214 I215 L340 F341 W342 T346 I347 A348 W367 F371R211-Y344 HydrophobicContact CB-CE1 3.77Å; R211-Y344 HydrophobicContact CG-CE1 3.51Å; R211-Y344 WeakPolarHBondContact CG-OH 3.48Å; F214-Y344 AromaticContact CD1-CD2 3.61Å; F214-Y344 HydrophobicContact CD1-CD2 3.61Å; F214-Y344 AromaticContact CD1-CE2 3.18Å; F214-Y344 HydrophobicContact CD1-CE2 3.18Å; F214-Y344 AromaticContact CE1-CD2 3.59Å; F214-Y344 HydrophobicContact CE1-CD2 3.59Å; F214-Y344 AromaticContact CE1-CE2 3.43Å; F214-Y344 HydrophobicContact CE1-CE2 3.43Å; F214-Y344 VanDerWaalsContact CE1-CE2 3.43Å; F214-Y344 HydrophobicContact CG-CE2 4.08Å; F214-Y344 HydrophobicContact CZ-CE2 4.47Å; I215-Y344 HydrophobicContact CD1-CD1 3.72Å; I215-Y344 HydrophobicContact CD1-CD2 4.25Å; I215-Y344 HydrophobicContact CD1-CE1 4.4Å; I215-Y344 HydrophobicContact CD1-CG 3.65Å; I215-Y344 HydrophobicContact CG1-CD1 4.28Å; I215-Y344 HydrophobicContact CG1-CD2 3.95Å; I215-Y344 HydrophobicContact CG1-CE2 4.4Å; I215-Y344 HydrophobicContact CG1-CG 3.87Å; L340-Y344 WeakPolarHBondContact O-CB 3.35Å; L340-Y344 PolarHBondContact O-N 3.38Å; F341-Y344 PolarHBondContact O-N 2.76Å; W342-Y344 PolarHBondContact O-N 3.09Å; Y344-T346 PolarHBondContact O-N 3.36Å; Y344-I347 PolarHBondContact O-N 2.94Å; Y344-A348 HydrophobicContact CD1-CB 4.47Å; Y344-A348 HydrophobicContact CE1-CB 4.29Å; Y344-A348 VanDerWaalsContact O-CB 3.24Å; Y344-A348 WeakPolarHBondContact O-CB 3.13Å; Y344-A348 PolarHBondContact O-N 3.15Å; Y344-W367 HydrophobicContact CD2-CZ3 4.3Å; Y344-F371 AromaticContact CD2-CD2 3.84Å; Y344-F371 HydrophobicContact CD2-CD2 3.84Å; Y344-F371 HydrophobicContact CD2-CE2 4.23Å; Y344-F371 HydrophobicContact CE1-CE2 4.35Å; Y344-F371 AromaticContact CE2-CD2 3.46Å; Y344-F371 HydrophobicContact CE2-CD2 3.46Å; Y344-F371 VanDerWaalsContact CE2-CD2 3.46Å; Y344-F371 AromaticContact CE2-CE2 3.97Å; Y344-F371 HydrophobicContact CE2-CE2 3.97Å; Y344-F371 AromaticContact CZ-CD2 3.89Å
345H91.6Very high89.1Confident5 Ų550.6 Ų50.62%0.02324%0.237CC..Hα-helixtrans-69.9-32.7-177.4-72.979.4000112.8Y296 F341 W342 W343 A348 N349Y296-H345 AromaticContact CE2-NE2 3.78Å; Y296-H345 AromaticContact CZ-NE2 3.98Å; Y296-H345 PolarHBondContact OH-NE2 3.37Å; F341-H345 AromaticContact CD1-ND1 3.91Å; F341-H345 AromaticContact CD2-CE1 3.49Å; F341-H345 VanDerWaalsContact CD2-CE1 3.49Å; F341-H345 WeakPolarHBondContact CD2-CE1 3.44Å; F341-H345 AromaticContact CD2-ND1 3.72Å; F341-H345 AromaticContact CE1-ND1 3.8Å; F341-H345 AromaticContact CE2-CE1 3.11Å; F341-H345 WeakPolarHBondContact CE2-CE1 3.35Å; F341-H345 AromaticContact CE2-ND1 3.63Å; F341-H345 AromaticContact CE2-NE2 3.82Å; F341-H345 AromaticContact CG-ND1 3.86Å; F341-H345 AromaticContact CZ-CE1 3.42Å; F341-H345 VanDerWaalsContact CZ-CE1 3.42Å; F341-H345 WeakPolarHBondContact CZ-CE1 3.29Å; F341-H345 AromaticContact CZ-ND1 3.66Å; F341-H345 AromaticContact CZ-NE2 3.83Å; F341-H345 PolarHBondContact O-N 3.47Å; F341-H345 PolarHBondContact O-ND1 3.42Å; W342-H345 PolarHBondContact O-N 3.42Å; W343-H345 PolarHBondContact O-N 3.46Å; H345-A348 PolarHBondContact O-N 3.07Å; H345-N349 VanDerWaalsContact O-CB 3.23Å; H345-N349 WeakPolarHBondContact O-CB 3.36Å; H345-N349 PolarHBondContact O-N 2.96Å; H345-N349 PolarHBondContact O-ND2 2.65Å
346T90.4Very high87.7Confident73 Ų7350.2 Ų50.245%0.44824%0.244SC..Hα-helixtrans-63.3-48175.8-58.50000110.6W342 W343 Y344 A348 N349 Q350 L353W342-T346 VanDerWaalsContact O-CB 3.25Å; W342-T346 WeakPolarHBondContact O-CB 3.38Å; W342-T346 PolarHBondContact O-N 2.95Å; W342-T346 PolarHBondContact O-OG1 3Å; W343-T346 PolarHBondContact O-N 3Å; Y344-T346 PolarHBondContact O-N 3.36Å; T346-A348 VanDerWaalsContact C-N 3.34Å; T346-N349 PolarHBondContact O-N 3.21Å; T346-Q350 WeakPolarHBondContact O-CB 3.41Å; T346-Q350 PolarHBondContact O-N 2.91Å; T346-L353 HydrophobicContact CG2-CD1 4.15Å
347I89Confident86.4Confident0 Ų050.8 Ų50.80%025%0.252CS..Hα-helixtrans-67.2-38.3177.5-54.5163.3000110.3W343 Y344 N349 L353 K354 L362 W367 Y368 F371W343-I347 WeakPolarHBondContact O-CD1 3.44Å; W343-I347 WeakPolarHBondContact O-CG1 3.42Å; W343-I347 PolarHBondContact O-N 3.2Å; W343-I347 VanDerWaalsContact O-N 3.09Å; Y344-I347 PolarHBondContact O-N 2.94Å; I347-N349 PolarHBondContact O-N 2.88Å; I347-L353 HydrophobicContact CG2-CB 4.19Å; I347-L353 WeakPolarHBondContact CG2-O 3.32Å; I347-K354 WeakPolarHBondContact O-CE 3.3Å; I347-K354 WeakPolarHBondContact O-CG 3.23Å; I347-L362 HydrophobicContact CD1-CB 3.83Å; I347-L362 HydrophobicContact CD1-CD1 4.06Å; I347-L362 HydrophobicContact CD1-CG 4.4Å; I347-L362 HydrophobicContact CG1-CB 4.12Å; I347-L362 HydrophobicContact CG1-CD1 3.63Å; I347-L362 HydrophobicContact CG1-CG 4.44Å; I347-W367 HydrophobicContact CD1-CH2 3.94Å; I347-W367 HydrophobicContact CD1-CZ3 4.38Å; I347-Y368 HydrophobicContact CG2-CE2 4.1Å; I347-F371 HydrophobicContact CB-CE1 4.14Å; I347-F371 HydrophobicContact CB-CE2 4.28Å; I347-F371 HydrophobicContact CB-CZ 3.76Å; I347-F371 HydrophobicContact CG2-CD1 4.07Å; I347-F371 HydrophobicContact CG2-CE1 3.24Å; I347-F371 HydrophobicContact CG2-CE2 4.25Å; I347-F371 HydrophobicContact CG2-CZ 3.35Å
348A87.3Confident84.8Confident0 Ų059.2 Ų59.20%029%0.291CS..Hα-helixtrans-69.7-29.8-179.400000113.9Y344 H345 T346 K354 F371 E375Y344-A348 HydrophobicContact CD1-CB 4.47Å; Y344-A348 HydrophobicContact CE1-CB 4.29Å; Y344-A348 VanDerWaalsContact O-CB 3.24Å; Y344-A348 WeakPolarHBondContact O-CB 3.13Å; Y344-A348 PolarHBondContact O-N 3.15Å; H345-A348 PolarHBondContact O-N 3.07Å; T346-A348 VanDerWaalsContact C-N 3.34Å; A348-K354 WeakPolarHBondContact O-CE 3.49Å; A348-K354 PolarHBondContact O-NZ 3.26Å; A348-F371 HydrophobicContact CB-CE2 4.02Å; A348-F371 HydrophobicContact CB-CZ 4.17Å; A348-E375 HydrophobicContact CB-CG 4.42Å
349N86.4Confident83.6Confident42 Ų4263.9 Ų63.923%0.22532%0.324CS..Hα-helixtrans-90.8-24.8-176.7-69.4-16000112.8H345 T346 I347H345-N349 VanDerWaalsContact O-CB 3.23Å; H345-N349 WeakPolarHBondContact O-CB 3.36Å; H345-N349 PolarHBondContact O-N 2.96Å; H345-N349 PolarHBondContact O-ND2 2.65Å; T346-N349 PolarHBondContact O-N 3.21Å; I347-N349 PolarHBondContact O-N 2.88Å
350Q84Confident82.8Confident104 Ų10460.2 Ų60.249%0.48631%0.311SS..  trans-101115.9-179.1-176.366.7-17.400111.7T346 S352 L353T346-Q350 WeakPolarHBondContact O-CB 3.41Å; T346-Q350 PolarHBondContact O-N 2.91Å; Q350-S352 WeakPolarHBondContact CG-OG 3.39Å; Q350-S352 PolarHBondContact NE2-OG 3.47Å; Q350-S352 PolarHBondContact O-N 3.28Å; Q350-L353 HydrophobicContact CB-CB 4.33Å; Q350-L353 HydrophobicContact CB-CD1 3.95Å; Q350-L353 HydrophobicContact CB-CG 4.11Å; Q350-L353 HydrophobicContact CG-CB 4.37Å; Q350-L353 HydrophobicContact CG-CD1 4Å; Q350-L353 HydrophobicContact CG-CG 3.81Å; Q350-L353 PolarHBondContact O-N 2.72Å
351Q78.6Confident82.1Confident72 Ų7265.6 Ų65.634%0.33634%0.339SS..G310 helixtrans-63.8-39.4-175-163.270.56.900112.6L353 K354 N379Q351-L353 PolarHBondContact O-N 2.03Å; Q351-L353 VanDerWaalsContact O-N 3.14Å; Q351-K354 WeakPolarHBondContact O-CB 3.29Å; Q351-K354 PolarHBondContact O-N 3.21Å; Q351-N379 PolarHBondContact NE2-OD1 3.38Å
352S78Confident81.5Confident71 Ų7167.7 Ų67.750%0.49735%0.35SS..G310 helixtrans-63.4-20.5179.1630000114Q350Q350-S352 WeakPolarHBondContact CG-OG 3.39Å; Q350-S352 PolarHBondContact NE2-OG 3.47Å; Q350-S352 PolarHBondContact O-N 3.28Å
353L78.3Confident80.9Confident40 Ų4063.1 Ų63.121%0.20934%0.336CS..G310 helixtrans-90.3-5.5178.1-64.4180000113.2T346 I347 Q350 Q351 N360 L362 Y368T346-L353 HydrophobicContact CG2-CD1 4.15Å; I347-L353 HydrophobicContact CG2-CB 4.19Å; I347-L353 WeakPolarHBondContact CG2-O 3.32Å; Q350-L353 HydrophobicContact CB-CB 4.33Å; Q350-L353 HydrophobicContact CB-CD1 3.95Å; Q350-L353 HydrophobicContact CB-CG 4.11Å; Q350-L353 HydrophobicContact CG-CB 4.37Å; Q350-L353 HydrophobicContact CG-CD1 4Å; Q350-L353 HydrophobicContact CG-CG 3.81Å; Q350-L353 PolarHBondContact O-N 2.72Å; Q351-L353 PolarHBondContact O-N 2.03Å; Q351-L353 VanDerWaalsContact O-N 3.14Å; L353-N360 PolarHBondContact O-ND2 2.98Å; L353-L362 HydrophobicContact CD1-CD1 4.29Å; L353-Y368 PolarHBondContact O-OH 2.87Å; L353-Y368 VanDerWaalsContact O-OH 3.07Å
354K78.3Confident80.5Confident21 Ų2165.7 Ų65.79%0.09135%0.346CS..THydrogen-bonded Turntrans-85.4-26.5175.3-63.8-179-178.4171.90112.4I347 A348 Q351 Y368 F371 Q372 V378I347-K354 WeakPolarHBondContact O-CE 3.3Å; I347-K354 WeakPolarHBondContact O-CG 3.23Å; A348-K354 WeakPolarHBondContact O-CE 3.49Å; A348-K354 PolarHBondContact O-NZ 3.26Å; Q351-K354 WeakPolarHBondContact O-CB 3.29Å; Q351-K354 PolarHBondContact O-N 3.21Å; K354-Y368 VanDerWaalsContact C-OH 3.3Å; K354-Y368 PolarHBondContact O-OH 3.24Å; K354-F371 HydrophobicContact CG-CE1 4.46Å; K354-Q372 PolarHBondContact O-NE2 2.98Å; K354-V378 PolarHBondContact NZ-O 3.36Å
355E75.9Confident80.3Confident133 Ų13367.5 Ų67.562%0.62136%0.357SS*.SBendtrans-79.7138.3176.4-67.1178-169.300110.6S357 N360 Y368E355-S357 VanDerWaalsContact C-N 3.31Å; E355-S357 PolarHBondContact O-N 3.05Å; E355-N360 PolarHBondContact O-ND2 3.24Å; E355-Y368 PolarHBondContact O-OH 3.39Å
356T67.5Low80.3Confident102 Ų10274 Ų7463%0.62638%0.382SS*.  trans-76.285.2176.4-51.30000108.8Q372T356-Q372 PolarHBondContact OG1-NE2 3.38Å
357S68.3Low80.3Confident54 Ų5470.7 Ų70.738%0.37836%0.361SS..  trans-101.4148.3172-177.30000111.2E355 S359 N360E355-S357 VanDerWaalsContact C-N 3.31Å; E355-S357 PolarHBondContact O-N 3.05Å; S357-S359 PolarHBondContact O-N 2.99Å; S357-S359 VanDerWaalsContact O-N 3.14Å; S357-S359 PolarHBondContact OG-OG 3.38Å; S357-S359 VanDerWaalsContact OG-OG 3.12Å; S357-N360 WeakPolarHBondContact O-CB 3.5Å; S357-N360 PolarHBondContact O-N 3.31Å
358Q63.5Low80.3Confident178 Ų17871 Ų7183%0.83236%0.362SS*.THydrogen-bonded Turntrans-57.8-24.5174.8-71-69.3-19.900112.6
359S71.9Confident80.3Confident103 Ų10379.2 Ų79.272%0.7240%0.398SS*.THydrogen-bonded Turntrans-80.3-14.1176.159.20000114.1S357 L361S357-S359 PolarHBondContact O-N 2.99Å; S357-S359 VanDerWaalsContact O-N 3.14Å; S357-S359 PolarHBondContact OG-OG 3.38Å; S357-S359 VanDerWaalsContact OG-OG 3.12Å; S359-L361 PolarHBondContact O-N 3.46Å
360N79Confident80.3Confident8 Ų880 Ų804%0.04340%0.401CS..  trans-9294.3-175.7-1753000111.2L353 E355 S357 L362 S363L353-N360 PolarHBondContact O-ND2 2.98Å; E355-N360 PolarHBondContact O-ND2 3.24Å; S357-N360 WeakPolarHBondContact O-CB 3.5Å; S357-N360 PolarHBondContact O-N 3.31Å; N360-L362 PolarHBondContact O-N 2.97Å; N360-L362 WeakPolarHBondContact OD1-CB 3.35Å; N360-L362 PolarHBondContact OD1-N 3.28Å; N360-L362 VanDerWaalsContact OD1-N 3.15Å; N360-S363 WeakPolarHBondContact O-CB 3.29Å; N360-S363 PolarHBondContact O-N 2.88Å; N360-S363 PolarHBondContact O-OG 2.85Å
361L81.4Confident80.5Confident117 Ų11775 Ų7561%0.61338%0.378SS*.G310 helixtrans-63.6-27.2177.7-66.2172.7000113.3S359 S363 R364S359-L361 PolarHBondContact O-N 3.46Å; L361-S363 PolarHBondContact O-N 3.01Å; L361-R364 WeakPolarHBondContact O-CB 3.44Å; L361-R364 PolarHBondContact O-N 2.85Å
362L82.2Confident80.9Confident45 Ų4574.2 Ų74.224%0.23637%0.374CS..G310 helixtrans-70-18.5179.1-62.3172.5000112.3I347 L353 N360 R364 V365I347-L362 HydrophobicContact CD1-CB 3.83Å; I347-L362 HydrophobicContact CD1-CD1 4.06Å; I347-L362 HydrophobicContact CD1-CG 4.4Å; I347-L362 HydrophobicContact CG1-CB 4.12Å; I347-L362 HydrophobicContact CG1-CD1 3.63Å; I347-L362 HydrophobicContact CG1-CG 4.44Å; L353-L362 HydrophobicContact CD1-CD1 4.29Å; N360-L362 PolarHBondContact O-N 2.97Å; N360-L362 WeakPolarHBondContact OD1-CB 3.35Å; N360-L362 PolarHBondContact OD1-N 3.28Å; N360-L362 VanDerWaalsContact OD1-N 3.15Å; L362-R364 PolarHBondContact O-N 3.46Å; L362-V365 WeakPolarHBondContact O-CG2 3.47Å; L362-V365 PolarHBondContact O-N 2.87Å
363S82.1Confident81.3Confident26 Ų2675.6 Ų75.618%0.18237%0.369CS..G310 helixtrans-66.7-17.2173.572.50000113.9N360 L361 V365 Y368N360-S363 WeakPolarHBondContact O-CB 3.29Å; N360-S363 PolarHBondContact O-N 2.88Å; N360-S363 PolarHBondContact O-OG 2.85Å; L361-S363 PolarHBondContact O-N 3.01Å; S363-V365 VanDerWaalsContact C-N 3.3Å; S363-V365 PolarHBondContact O-N 3.18Å; S363-Y368 VanDerWaalsContact CB-CE1 3.46Å; S363-Y368 WeakPolarHBondContact O-CD1 3.35Å
364R84.9Confident81.7Confident185 Ų18573.7 Ų73.770%0.69836%0.36SS*.G310 helixtrans-81.5-8.6-178.8-59.4-177.3-179.2-173.80.4113.5L361 L362L361-R364 WeakPolarHBondContact O-CB 3.44Å; L361-R364 PolarHBondContact O-N 2.85Å; L362-R364 PolarHBondContact O-N 3.46Å
365V88.1Confident82.1Confident39 Ų3972.8 Ų72.824%0.23636%0.356CS..SBendtrans-69.6137.3-179.4-175.50000109.7L362 S363 W367 Y368L362-V365 WeakPolarHBondContact O-CG2 3.47Å; L362-V365 PolarHBondContact O-N 2.87Å; S363-V365 VanDerWaalsContact C-N 3.3Å; S363-V365 PolarHBondContact O-N 3.18Å; V365-W367 VanDerWaalsContact CG1-CD1 3.48Å; V365-W367 HydrophobicContact CG1-CD2 3.87Å; V365-W367 HydrophobicContact CG1-CG 3.92Å; V365-W367 HydrophobicContact CG1-CZ2 3.92Å; V365-W367 PolarHBondContact O-N 2.88Å; V365-W367 VanDerWaalsContact O-N 3.12Å; V365-Y368 WeakPolarHBondContact O-CB 3.33Å; V365-Y368 PolarHBondContact O-N 3.47Å
366W90.4Very high82.2Confident142 Ų14272.4 Ų72.454%0.53835%0.354SS..THydrogen-bonded Turntrans-58.3-32.9-171.771.8-92.7000113.8T218 L221 Y222 Y368T218-W366 HydrophobicContact CG2-CZ2 4.16Å; L221-W366 HydrophobicContact CD2-CH2 3.46Å; L221-W366 VanDerWaalsContact CD2-CH2 3.46Å; L221-W366 HydrophobicContact CD2-CZ2 3.87Å; L221-W366 HydrophobicContact CD2-CZ3 4.42Å; Y222-W366 HydrophobicContact CE1-CZ2 4.13Å; Y222-W366 AromaticContact CE1-NE1 3.62Å; Y222-W366 AromaticContact CZ-NE1 3.66Å; Y222-W366 PolarHBondContact OH-NE1 3.41Å; W366-Y368 VanDerWaalsContact C-N 3.31Å
367W90.5Very high82.7Confident3 Ų370.4 Ų70.41%0.01134%0.339CS..THydrogen-bonded Turntrans-85.3-0.318057-107.5000113.6F214 L340 Y344 I347 V365 K369 L370 F371F214-W367 HydrophobicContact CE1-CD2 4.3Å; F214-W367 AromaticContact CE1-CE3 3.9Å; F214-W367 HydrophobicContact CE1-CE3 3.9Å; F214-W367 HydrophobicContact CE1-CZ3 4.36Å; F214-W367 HydrophobicContact CZ-CB 3.97Å; F214-W367 HydrophobicContact CZ-CD2 4.07Å; F214-W367 AromaticContact CZ-CE3 3.72Å; F214-W367 HydrophobicContact CZ-CE3 3.72Å; F214-W367 HydrophobicContact CZ-CG 4.2Å; L340-W367 HydrophobicContact CD1-CZ2 3.71Å; Y344-W367 HydrophobicContact CD2-CZ3 4.3Å; I347-W367 HydrophobicContact CD1-CH2 3.94Å; I347-W367 HydrophobicContact CD1-CZ3 4.38Å; V365-W367 VanDerWaalsContact CG1-CD1 3.48Å; V365-W367 HydrophobicContact CG1-CD2 3.87Å; V365-W367 HydrophobicContact CG1-CG 3.92Å; V365-W367 HydrophobicContact CG1-CZ2 3.92Å; V365-W367 PolarHBondContact O-N 2.88Å; V365-W367 VanDerWaalsContact O-N 3.12Å; W367-K369 PolarHBondContact O-N 3.2Å; W367-L370 PolarHBondContact O-N 3.36Å; W367-F371 HydrophobicContact CE3-CB 3.77Å; W367-F371 HydrophobicContact CE3-CG 4.48Å; W367-F371 HydrophobicContact CZ3-CB 3.82Å; W367-F371 HydrophobicContact CZ3-CD2 4.08Å; W367-F371 HydrophobicContact CZ3-CG 4.03Å; W367-F371 PolarHBondContact O-N 3.41Å
368Y88.8Confident83.2Confident5 Ų567.8 Ų67.82%0.0232%0.321CS..Hα-helixtrans-61.1-39.4-175-176.9-104.7000113.4I347 L353 K354 E355 S363 V365 W366 L370 F371 Q372I347-Y368 HydrophobicContact CG2-CE2 4.1Å; L353-Y368 PolarHBondContact O-OH 2.87Å; L353-Y368 VanDerWaalsContact O-OH 3.07Å; K354-Y368 VanDerWaalsContact C-OH 3.3Å; K354-Y368 PolarHBondContact O-OH 3.24Å; E355-Y368 PolarHBondContact O-OH 3.39Å; S363-Y368 VanDerWaalsContact CB-CE1 3.46Å; S363-Y368 WeakPolarHBondContact O-CD1 3.35Å; V365-Y368 WeakPolarHBondContact O-CB 3.33Å; V365-Y368 PolarHBondContact O-N 3.47Å; W366-Y368 VanDerWaalsContact C-N 3.31Å; Y368-L370 VanDerWaalsContact C-N 3.32Å; Y368-L370 PolarHBondContact O-N 3.49Å; Y368-F371 HydrophobicContact CD2-CD1 4.19Å; Y368-F371 HydrophobicContact CE2-CD1 4.23Å; Y368-F371 WeakPolarHBondContact O-CB 3.42Å; Y368-F371 PolarHBondContact O-N 2.92Å; Y368-Q372 HydrophobicContact CD1-CG 4.08Å; Y368-Q372 HydrophobicContact CE1-CG 3.71Å; Y368-Q372 HydrophobicContact CE2-CG 4.44Å; Y368-Q372 WeakPolarHBondContact O-CG 3.42Å; Y368-Q372 PolarHBondContact O-N 2.89Å; Y368-Q372 PolarHBondContact OH-NE2 3.07Å
369K87.1Confident83.3Confident173 Ų17363 Ų6375%0.75230%0.301SS*.Hα-helixtrans-61.4-41.5176.7-67.4-172.8177.9-176.70112.3W367 F371 Q372 Y373W367-K369 PolarHBondContact O-N 3.2Å; K369-F371 VanDerWaalsContact C-N 3.34Å; K369-Q372 PolarHBondContact O-N 3.48Å; K369-Y373 PolarHBondContact O-N 3.26Å
370L87.1Confident83.1Confident58 Ų5859.2 Ų59.230%0.30428%0.278SS..Hα-helixtrans-68.9-37.6177.5-17657.6000110.7Y138 F214 W367 Y368 Y373 F374Y138-L370 HydrophobicContact CE2-CD2 4.49Å; F214-L370 HydrophobicContact CD2-CD2 4.13Å; F214-L370 HydrophobicContact CD2-CG 4.23Å; F214-L370 HydrophobicContact CE2-CB 4.14Å; F214-L370 HydrophobicContact CE2-CD2 3.62Å; F214-L370 HydrophobicContact CE2-CG 3.68Å; W367-L370 PolarHBondContact O-N 3.36Å; Y368-L370 VanDerWaalsContact C-N 3.32Å; Y368-L370 PolarHBondContact O-N 3.49Å; L370-Y373 PolarHBondContact O-N 3.45Å; L370-F374 HydrophobicContact CD1-CD2 4.18Å; L370-F374 HydrophobicContact CD1-CE2 3.47Å; L370-F374 VanDerWaalsContact CD1-CE2 3.47Å; L370-F374 HydrophobicContact CD1-CZ 3.88Å; L370-F374 HydrophobicContact CD2-CE2 4.21Å; L370-F374 HydrophobicContact CG-CD2 4.08Å; L370-F374 HydrophobicContact CG-CE2 3.55Å; L370-F374 HydrophobicContact CG-CZ 4.42Å; L370-F374 WeakPolarHBondContact O-CD2 3.49Å; L370-F374 PolarHBondContact O-N 3.5Å
371F88.3Confident82.9Confident0 Ų062.8 Ų62.80%030%0.301CS..Hα-helixtrans-59.6-47.5170.7164.8-86.8000112.6F214 Y344 I347 A348 K354 W367 Y368 K369 Y373 F374 E375F214-F371 HydrophobicContact CZ-CB 4.48Å; Y344-F371 AromaticContact CD2-CD2 3.84Å; Y344-F371 HydrophobicContact CD2-CD2 3.84Å; Y344-F371 HydrophobicContact CD2-CE2 4.23Å; Y344-F371 HydrophobicContact CE1-CE2 4.35Å; Y344-F371 AromaticContact CE2-CD2 3.46Å; Y344-F371 HydrophobicContact CE2-CD2 3.46Å; Y344-F371 VanDerWaalsContact CE2-CD2 3.46Å; Y344-F371 AromaticContact CE2-CE2 3.97Å; Y344-F371 HydrophobicContact CE2-CE2 3.97Å; Y344-F371 AromaticContact CZ-CD2 3.89Å; I347-F371 HydrophobicContact CB-CE1 4.14Å; I347-F371 HydrophobicContact CB-CE2 4.28Å; I347-F371 HydrophobicContact CB-CZ 3.76Å; I347-F371 HydrophobicContact CG2-CD1 4.07Å; I347-F371 HydrophobicContact CG2-CE1 3.24Å; I347-F371 HydrophobicContact CG2-CE2 4.25Å; I347-F371 HydrophobicContact CG2-CZ 3.35Å; A348-F371 HydrophobicContact CB-CE2 4.02Å; A348-F371 HydrophobicContact CB-CZ 4.17Å; K354-F371 HydrophobicContact CG-CE1 4.46Å; W367-F371 HydrophobicContact CE3-CB 3.77Å; W367-F371 HydrophobicContact CE3-CG 4.48Å; W367-F371 HydrophobicContact CZ3-CB 3.82Å; W367-F371 HydrophobicContact CZ3-CD2 4.08Å; W367-F371 HydrophobicContact CZ3-CG 4.03Å; W367-F371 PolarHBondContact O-N 3.41Å; Y368-F371 HydrophobicContact CD2-CD1 4.19Å; Y368-F371 HydrophobicContact CE2-CD1 4.23Å; Y368-F371 WeakPolarHBondContact O-CB 3.42Å; Y368-F371 PolarHBondContact O-N 2.92Å; K369-F371 VanDerWaalsContact C-N 3.34Å; F371-Y373 VanDerWaalsContact C-N 3.31Å; F371-Y373 PolarHBondContact O-N 3.5Å; F371-F374 PolarHBondContact O-N 2.93Å; F371-F374 VanDerWaalsContact O-N 3.09Å; F371-E375 HydrophobicContact CD2-CG 4.16Å; F371-E375 HydrophobicContact CE1-CB 4.29Å; F371-E375 HydrophobicContact CE2-CB 4.24Å; F371-E375 HydrophobicContact CE2-CG 3.66Å; F371-E375 HydrophobicContact CZ-CB 3.96Å; F371-E375 HydrophobicContact CZ-CG 3.87Å; F371-E375 PolarHBondContact O-N 3.27Å
372Q86.3Confident82.6Confident55 Ų5557.6 Ų57.626%0.25727%0.274SS..Hα-helixtrans-57.9-45.2179.2-76.3-176.8-49.600111K354 T356 Y368 K369 F374 E375 E376K354-Q372 PolarHBondContact O-NE2 2.98Å; T356-Q372 PolarHBondContact OG1-NE2 3.38Å; Y368-Q372 HydrophobicContact CD1-CG 4.08Å; Y368-Q372 HydrophobicContact CE1-CG 3.71Å; Y368-Q372 HydrophobicContact CE2-CG 4.44Å; Y368-Q372 WeakPolarHBondContact O-CG 3.42Å; Y368-Q372 PolarHBondContact O-N 2.89Å; Y368-Q372 PolarHBondContact OH-NE2 3.07Å; K369-Q372 PolarHBondContact O-N 3.48Å; Q372-F374 VanDerWaalsContact C-N 3.3Å; Q372-F374 PolarHBondContact O-N 3.16Å; Q372-E375 PolarHBondContact O-N 2.9Å; Q372-E376 WeakPolarHBondContact O-CA 3.45Å; Q372-E376 WeakPolarHBondContact O-CB 3.28Å; Q372-E376 PolarHBondContact O-N 3.17Å
373Y87.8Confident82.2Confident100 Ų10057.9 Ų57.939%0.39228%0.278SS..Hα-helixtrans-55.7-44.4175.2174.3-102000112.6K131 I134 K369 L370 F371K131-Y373 HydrophobicContact CD-CE1 4.39Å; K131-Y373 WeakPolarHBondContact CD-O 3.25Å; K131-Y373 HydrophobicContact CG-CE1 4.16Å; K131-Y373 PolarHBondContact NZ-O 2.81Å; I134-Y373 HydrophobicContact CD1-CE1 4Å; I134-Y373 WeakPolarHBondContact CD1-OH 3.45Å; K369-Y373 PolarHBondContact O-N 3.26Å; L370-Y373 PolarHBondContact O-N 3.45Å; F371-Y373 VanDerWaalsContact C-N 3.31Å; F371-Y373 PolarHBondContact O-N 3.5Å
374F85.8Confident81.8Confident1 Ų160.1 Ų60.10%0.00428%0.283CS..Hα-helixtrans-70.7-38.3179.5-70.1-51.5000112.8K131 I134 A135 R210 F214 L370 F371 Q372K131-F374 HydrophobicContact CB-CD1 4.24Å; K131-F374 VanDerWaalsContact O-CE1 3.25Å; K131-F374 WeakPolarHBondContact O-CE1 3.44Å; I134-F374 HydrophobicContact CB-CE1 4.3Å; I134-F374 HydrophobicContact CG2-CE1 4.2Å; I134-F374 HydrophobicContact CG2-CZ 4.11Å; A135-F374 HydrophobicContact CB-CD1 4.42Å; A135-F374 HydrophobicContact CB-CE1 3.78Å; A135-F374 HydrophobicContact CB-CE2 4.4Å; A135-F374 HydrophobicContact CB-CZ 3.76Å; R210-F374 PolarHBondContact NE-O 2.96Å; R210-F374 PolarHBondContact NH1-O 3.38Å; R210-F374 PolarHBondContact NH2-O 3.46Å; F214-F374 AromaticContact CD2-CD2 3.81Å; F214-F374 HydrophobicContact CD2-CD2 3.81Å; F214-F374 AromaticContact CD2-CE2 3.63Å; F214-F374 HydrophobicContact CD2-CE2 3.63Å; F214-F374 HydrophobicContact CE2-CD2 4.31Å; F214-F374 HydrophobicContact CE2-CE2 4.24Å; F214-F374 HydrophobicContact CG-CD2 4.39Å; F214-F374 HydrophobicContact CG-CE2 4.46Å; L370-F374 HydrophobicContact CD1-CD2 4.18Å; L370-F374 HydrophobicContact CD1-CE2 3.47Å; L370-F374 VanDerWaalsContact CD1-CE2 3.47Å; L370-F374 HydrophobicContact CD1-CZ 3.88Å; L370-F374 HydrophobicContact CD2-CE2 4.21Å; L370-F374 HydrophobicContact CG-CD2 4.08Å; L370-F374 HydrophobicContact CG-CE2 3.55Å; L370-F374 HydrophobicContact CG-CZ 4.42Å; L370-F374 WeakPolarHBondContact O-CD2 3.49Å; L370-F374 PolarHBondContact O-N 3.5Å; F371-F374 PolarHBondContact O-N 2.93Å; F371-F374 VanDerWaalsContact O-N 3.09Å; Q372-F374 VanDerWaalsContact C-N 3.3Å; Q372-F374 PolarHBondContact O-N 3.16Å
375E86.3Confident81.4Confident2 Ų255.1 Ų55.11%0.00927%0.27CS..Hα-helixtrans-101.60.2-171.8-69.3-66.213400115.4R210 R211 A348 F371 Q372 N377 V378R210-E375 IonicContact CZ-OE1 2.77Å; R210-E375 IonicContact NE-OE1 3.91Å; R210-E375 PolarHBondContact NE-OE1 3.27Å; R210-E375 IonicContact NH2-OE1 3.72Å; R210-E375 PolarHBondContact NH2-OE1 2.85Å; R210-E375 IonicContact NH2-OE2 3.5Å; R210-E375 PolarHBondContact NH2-OE2 3.23Å; R211-E375 WeakPolarHBondContact CG-OE1 3.31Å; R211-E375 IonicContact CZ-OE1 3.07Å; R211-E375 IonicContact CZ-OE2 3.73Å; R211-E375 IonicContact NE-OE1 3.5Å; R211-E375 PolarHBondContact NE-OE1 3.45Å; R211-E375 IonicContact NE-OE2 2.92Å; R211-E375 PolarHBondContact NE-OE2 2.96Å; R211-E375 IonicContact NH2-OE1 3.47Å; R211-E375 IonicContact NH2-OE2 3.49Å; R211-E375 PolarHBondContact NH2-OE2 3.2Å; A348-E375 HydrophobicContact CB-CG 4.42Å; F371-E375 HydrophobicContact CD2-CG 4.16Å; F371-E375 HydrophobicContact CE1-CB 4.29Å; F371-E375 HydrophobicContact CE2-CB 4.24Å; F371-E375 HydrophobicContact CE2-CG 3.66Å; F371-E375 HydrophobicContact CZ-CB 3.96Å; F371-E375 HydrophobicContact CZ-CG 3.87Å; F371-E375 PolarHBondContact O-N 3.27Å; Q372-E375 PolarHBondContact O-N 2.9Å; E375-N377 VanDerWaalsContact C-N 3.32Å; E375-N377 PolarHBondContact O-N 3.06Å; E375-V378 PolarHBondContact O-N 2.95Å; E375-V378 VanDerWaalsContact O-N 3.1Å
376E79.9Confident80.5Confident125 Ų12557.4 Ų57.458%0.58428%0.275SS*.THydrogen-bonded Turntrans-47-47.5-178.9-174.9-179.5-159.300114.1K131 Q372 V378K131-E376 IonicContact NZ-OE2 2.65Å; K131-E376 PolarHBondContact NZ-OE2 3.47Å; Q372-E376 WeakPolarHBondContact O-CA 3.45Å; Q372-E376 WeakPolarHBondContact O-CB 3.28Å; Q372-E376 PolarHBondContact O-N 3.17Å; E376-V378 PolarHBondContact O-N 3.22Å
377N77.3Confident79.5Confident59 Ų5954.5 Ų54.532%0.31627%0.267SS..THydrogen-bonded Turntrans-95.816-173.5-63.2-38.7000113.4P126 E128 K131 E375P126-N377 VanDerWaalsContact CD-O 3.32Å; P126-N377 WeakPolarHBondContact CD-O 3.42Å; P126-N377 HydrophobicContact CG-CB 3.82Å; E128-N377 PolarHBondContact OE1-ND2 3.15Å; K131-N377 PolarHBondContact NZ-ND2 3.26Å; E375-N377 VanDerWaalsContact C-N 3.32Å; E375-N377 PolarHBondContact O-N 3.06Å
378V78.5Confident77.9Confident0 Ų059.2 Ų59.20%029%0.292CS..  trans-114.5105.3-179.2167.90000109.2F125 I207 K354 E375 E376 V382F125-V378 HydrophobicContact CD1-CG1 3.95Å; F125-V378 HydrophobicContact CD1-CG2 4.3Å; F125-V378 HydrophobicContact CE1-CG1 3.82Å; I207-V378 HydrophobicContact CD1-CG2 3.61Å; I207-V378 HydrophobicContact CG1-CG2 3.94Å; I207-V378 HydrophobicContact CG2-CG2 4.25Å; K354-V378 PolarHBondContact NZ-O 3.36Å; E375-V378 PolarHBondContact O-N 2.95Å; E375-V378 VanDerWaalsContact O-N 3.1Å; E376-V378 PolarHBondContact O-N 3.22Å; V378-V382 HydrophobicContact CG1-CG2 4.34Å
379N65.3Low76.4Confident77 Ų7761.8 Ų61.841%0.41231%0.309SS..  trans-96.6105.5-178.6-66.5-23.6000109.8Q351Q351-N379 PolarHBondContact NE2-OD1 3.38Å
380G67.6Low74.8Confident23 Ų2359.4 Ų59.424%0.23730%0.304CS..SBendtrans90.5-171.2176.500000116.7
381T75.4Confident73Confident84 Ų8460.5 Ų60.552%0.51532%0.321SS..PPolyproline II helixtrans-74.6130-177.8-59.10000110.6P383T381-P383 WeakPolarHBondContact O-CD 3.03Å
382V75.6Confident71.2Confident8 Ų863.4 Ų63.45%0.04834%0.339CS..PPolyproline II helixtrans-66.8121.1-179.4-179.30000109.7F125 H204 I207 Y296 V378F125-V382 HydrophobicContact CE1-CG2 4.28Å; H204-V382 HydrophobicContact CB-CG1 3.86Å; I207-V382 HydrophobicContact CG2-CG2 3.8Å; Y296-V382 HydrophobicContact CE1-CB 4.49Å; V378-V382 HydrophobicContact CG1-CG2 4.34Å
383P72.4Confident69.3Low50 Ų5067.9 Ų67.933%0.32535%0.354SS..PPolyproline II helixtrans-69.1142-178.827.7-34000111.1F125 T381 N385F125-P383 HydrophobicContact CE2-CG 4.15Å; T381-P383 WeakPolarHBondContact O-CD 3.03Å; P383-N385 PolarHBondContact O-N 3.01Å
384R75.4Confident67.4Low74 Ų7466 Ų6628%0.27936%0.359SS..  trans-78.553.9-178.7-57.9177.9-172.4-165.7-3.3111.8E295 S297E295-R384 PolarHBondContact O-NE 3.35Å; E295-R384 PolarHBondContact O-NH2 3.12Å; E295-R384 IonicContact OE1-NH2 3.72Å; E295-R384 PolarHBondContact OE1-NH2 3.34Å; E295-R384 VanDerWaalsContact OE1-NH2 3.07Å; E295-R384 IonicContact OE2-NH2 2.76Å; S297-R384 PolarHBondContact O-NH1 3.42Å
385N75Confident65.4Low80 Ų8073.4 Ų73.443%0.42840%0.395SS..  trans-92.4125.9-178.2-71.9-28.9000110.9K203 P383K203-N385 HydrophobicContact CB-CB 4.19Å; K203-N385 VanDerWaalsContact CB-O 3.26Å; K203-N385 WeakPolarHBondContact CB-O 3.49Å; K203-N385 HydrophobicContact CD-CB 4.2Å; K203-N385 PolarHBondContact N-O 2.98Å; P383-N385 PolarHBondContact O-N 3.01Å
386Y70.7Confident63.5Low87 Ų8780.1 Ų80.134%0.34143%0.426SS..BIsolated β-bridgetrans-96.4135176.4-70.9-92.3000110.2Q198 L201 L202 Y296 S297 P298Q198-Y386 HydrophobicContact CG-CE1 4.22Å; L201-Y386 HydrophobicContact CB-CD1 3.82Å; L201-Y386 HydrophobicContact CB-CE1 4.35Å; L201-Y386 CarbonylContact O-C 3.51Å; L201-Y386 VanDerWaalsContact O-CA 3.29Å; L201-Y386 WeakPolarHBondContact O-CA 3.31Å; L202-Y386 HydrophobicContact CD2-CD1 4.23Å; L202-Y386 HydrophobicContact CD2-CE1 3.78Å; L202-Y386 HydrophobicContact CD2-CE2 4.34Å; L202-Y386 HydrophobicContact CG-CE1 4.46Å; Y296-Y386 PolarHBondContact O-OH 3.19Å; S297-Y386 VanDerWaalsContact CA-OH 3.31Å; S297-Y386 WeakPolarHBondContact CA-OH 3.09Å; P298-Y386 VanDerWaalsContact CD-CE2 3.45Å; P298-Y386 VanDerWaalsContact CD-OH 3.32Å; P298-Y386 WeakPolarHBondContact CD-OH 3.42Å; P298-Y386 HydrophobicContact CG-CD2 4.22Å; P298-Y386 HydrophobicContact CG-CE2 3.52Å
387Q67.8Low61.6Low80 Ų8083.9 Ų83.937%0.37444%0.435SS..  trans-121.6115.1171.4-174.9170.1-14.300108.2L201 K203L201-Q387 PolarHBondContact O-N 2.85Å; K203-Q387 HydrophobicContact CB-CB 4.13Å; K203-Q387 HydrophobicContact CG-CB 4.44Å
388L58.6Low60Low102 Ų10288.1 Ų88.153%0.53446%0.458SS..  trans-61.4140.5174.6-142.971.1000109.3L201 L390 V392L201-L388 HydrophobicContact CD2-CD1 4.41Å; L388-L390 PolarHBondContact O-N 2.78Å; L388-V392 HydrophobicContact CD2-CB 3.76Å; L388-V392 HydrophobicContact CD2-CG1 3.45Å; L388-V392 VanDerWaalsContact CD2-CG1 3.45Å; L388-V392 HydrophobicContact CG-CB 4.18Å; L388-V392 HydrophobicContact CG-CG1 4.33Å
389P55.6Low58.5Low59 Ų5999.4 Ų99.438%0.38350%0.501SS..  trans-55.4141.7178.9-24.233.6000111L201 A391 V392 R393L201-P389 HydrophobicContact CD2-CG 4.17Å; P389-A391 PolarHBondContact O-N 3.43Å; P389-V392 PolarHBondContact O-N 3.5Å; P389-R393 PolarHBondContact O-N 3.13Å
390L54.1Low57.4Low124 Ų12498 Ų9865%0.64951%0.505SS*.Hα-helixtrans-52.7-28.7-178.8-74163.3000112.9L388 V392 R393 A394L388-L390 PolarHBondContact O-N 2.78Å; L390-V392 PolarHBondContact O-N 3.3Å; L390-R393 PolarHBondContact O-N 3.19Å; L390-A394 PolarHBondContact O-N 2.83Å
391A49.6Very low56.4Low80 Ų80100.6 Ų100.666%0.66152%0.524SS*.Hα-helixtrans-60.4-38.2175.900000113.6P389P389-A391 PolarHBondContact O-N 3.43Å
392V50.6Low54.6Low62 Ų62106.8 Ų106.838%0.37654%0.543SS..Hα-helixtrans-81.9-29.1178.4-1740000111.1L388 P389 L390 A394 M395 H396L388-V392 HydrophobicContact CD2-CB 3.76Å; L388-V392 HydrophobicContact CD2-CG1 3.45Å; L388-V392 VanDerWaalsContact CD2-CG1 3.45Å; L388-V392 HydrophobicContact CG-CB 4.18Å; L388-V392 HydrophobicContact CG-CG1 4.33Å; P389-V392 PolarHBondContact O-N 3.5Å; L390-V392 PolarHBondContact O-N 3.3Å; V392-A394 VanDerWaalsContact C-N 3.31Å; V392-A394 PolarHBondContact O-N 3.33Å; V392-M395 PolarHBondContact O-N 2.87Å; V392-H396 PolarHBondContact O-N 2.97Å
393R45.5Very low53Low149 Ų149116.9 Ų116.956%0.56258%0.582SS**Hα-helixtrans-63-37.8171.8-173.7178.4-90.3-171.5-8111.3P389 L390 M395 H396 W397P389-R393 PolarHBondContact O-N 3.13Å; L390-R393 PolarHBondContact O-N 3.19Å; R393-M395 VanDerWaalsContact C-N 3.32Å; R393-M395 PolarHBondContact O-N 3Å; R393-H396 PolarHBondContact O-N 3.41Å; R393-W397 WeakPolarHBondContact O-CB 3.38Å; R393-W397 PolarHBondContact O-N 3.08Å
394A48.9Very low51.4Low60 Ų60119.9 Ų119.950%0.49660%0.604SS.*Hα-helixtrans-63.7-36.3174.200000112.6L390 V392 N398L390-A394 PolarHBondContact O-N 2.83Å; V392-A394 VanDerWaalsContact C-N 3.31Å; V392-A394 PolarHBondContact O-N 3.33Å; A394-N398 PolarHBondContact O-N 2.86Å
395M44.4Very low49.7Very low156 Ų156126.7 Ų126.777%0.76863%0.63SS**Hα-helixtrans-72.9-35.1179.2-158.2168.2-164.300112.9V392 R393V392-M395 PolarHBondContact O-N 2.87Å; R393-M395 VanDerWaalsContact C-N 3.32Å; R393-M395 PolarHBondContact O-N 3Å
396H45.8Very low48.2Very low144 Ų144130.5 Ų130.567%0.66765%0.65SS**Hα-helixtrans-78.4-29.8173.2-96.2-84.5000113.5V392 R393 N398 R399V392-H396 PolarHBondContact O-N 2.97Å; R393-H396 PolarHBondContact O-N 3.41Å; H396-N398 VanDerWaalsContact C-N 3.3Å; H396-N398 PolarHBondContact O-N 3.37Å; H396-R399 PolarHBondContact O-N 2.91Å; H396-R399 VanDerWaalsContact O-N 3.16Å
397W38.8Very low46.8Very low203 Ų203133.1 Ų133.177%0.76967%0.669SS**Hα-helixtrans-70.3-24.7179.5-164.9-93.6000113.1R393 R399 G400R393-W397 WeakPolarHBondContact O-CB 3.38Å; R393-W397 PolarHBondContact O-N 3.08Å; W397-R399 PolarHBondContact O-N 3.02Å; W397-R399 VanDerWaalsContact O-N 3.16Å; W397-G400 PolarHBondContact O-N 3.05Å
398N44.3Very low45.5Very low149 Ų149135.5 Ų135.580%0.79769%0.689SS**THydrogen-bonded Turntrans-70.7-1.6171.5-82.3-8.9000114.3A394 H396A394-N398 PolarHBondContact O-N 2.86Å; H396-N398 VanDerWaalsContact C-N 3.3Å; H396-N398 PolarHBondContact O-N 3.37Å
399R47.9Very low44.5Very low237 Ų237143.2 Ų143.289%0.89472%0.723SS**THydrogen-bonded Turntrans-118.68.6172.2-74.1-172.2171.4-170.3-1.9114H396 W397H396-R399 PolarHBondContact O-N 2.91Å; H396-R399 VanDerWaalsContact O-N 3.16Å; W397-R399 PolarHBondContact O-N 3.02Å; W397-R399 VanDerWaalsContact O-N 3.16Å
400G41.4Very low44Very low48 Ų48147.5 Ų147.550%0.49574%0.74SS.*SBendtrans-88.2117.2174.700000111.2W397 K402W397-G400 PolarHBondContact O-N 3.05Å; G400-K402 PolarHBondContact O-N 3.29Å
401A46.4Very low43.5Very low77 Ų77148.7 Ų148.764%0.63675%0.745SS**  trans-53.3127.7173.500000110.8Y403A401-Y403 HydrophobicContact CB-CE2 4.16Å; A401-Y403 PolarHBondContact O-N 3.26Å; A401-Y403 VanDerWaalsContact O-N 3.14Å
402K36.8Very low43.1Very low213 Ų213152.5 Ų152.593%0.92675%0.749SS**  trans-70.2103.3171.9-75.6-178.9178.2178.60108.5G400G400-K402 PolarHBondContact O-N 3.29Å
403Y43.8Very low42.7Very low220 Ų220157.8 Ų157.886%0.86377%0.771SS**PPolyproline II helixtrans-84.2116.5160.8-72.5-82.2000108.2A401A401-Y403 HydrophobicContact CB-CE2 4.16Å; A401-Y403 PolarHBondContact O-N 3.26Å; A401-Y403 VanDerWaalsContact O-N 3.14Å
404S38.7Very low42.5Very low113 Ų113158.4 Ų158.479%0.7978%0.784SS**PPolyproline II helixtrans-87.8134.1168.4-1670000108.2L406S404-L406 PolarHBondContact O-N 3.23Å
405R39.8Very low42.1Very low218 Ų218164.9 Ų164.982%0.82380%0.804SS**PPolyproline II helixtrans-74.2118174.5-158.4-179.8-171.3178.6-0.7106.5D407R405-D407 PolarHBondContact O-N 3.26Å
406L41.9Very low41.9Very low160 Ų160165.6 Ų165.684%0.83881%0.806SS**  trans-74.1102.2167.3-85.1156.5000107.2S404 T408S404-L406 PolarHBondContact O-N 3.23Å; L406-T408 PolarHBondContact O-N 3.44Å
407D41.4Very low41.6Very low141 Ų141167.2 Ų167.275%0.75482%0.817SS**  trans-67117.8162.8-72.7-30.6000107.2R405R405-D407 PolarHBondContact O-N 3.26Å
408T42.1Very low41.8Very low130 Ų130164.3 Ų164.380%0.79882%0.821SS**  trans-96.9104.4176.8-33.70000107.2L406L406-T408 PolarHBondContact O-N 3.44Å
409Q37.6Very low41.6Very low265 Ų265165.6 Ų165.6100%1.23882%0.823SS**  trans50.50167-84.6178.1-16.800120

Retrieved 409 of 409 residues in 175.8 ms (Link to these results)

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