A0A093JGT8_STRCA Loading...

Ventricular zone-expressed PH domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A093JGT8, Species STRCA (Struthio camelus australis), Gene n/a, Length 832 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
1M75.1Confident84.7Confident54 Ų5448.4 Ų48.427%0.26625%0.249SC..  0146.20-170171-65.800109.8F5 E6 L9 E34 A35 Q38M1-F5 HydrophobicContact CG-CB 3.57Å; M1-F5 HydrophobicContact SD-CB 3.72Å; M1-E6 HydrophobicContact SD-CB 4.48Å; M1-L9 HydrophobicContact SD-CD1 4.39Å; M1-E34 WeakPolarHBondContact CA-OE2 3.33Å; M1-E34 HydrophobicContact CB-CG 4.42Å; M1-E34 WeakPolarHBondContact CB-OE2 3.46Å; M1-E34 HydrophobicContact CE-CB 3.84Å; M1-E34 HydrophobicContact CE-CG 3.54Å; M1-E34 VanDerWaalsContact CE-O 3.25Å; M1-E34 WeakPolarHBondContact CE-O 3.34Å; M1-E34 PolarHBondContact N-OE1 3.44Å; M1-E34 PolarHBondContact N-OE2 3.25Å; M1-A35 HydrophobicContact CE-CB 4.41Å; M1-Q38 HydrophobicContact CE-CB 4.15Å; M1-Q38 HydrophobicContact CE-CG 3.34Å; M1-Q38 HydrophobicContact SD-CG 4.37Å
2H88Confident84.5Confident38 Ų3850.9 Ų50.918%0.17626%0.257CS..  trans-60.1138.7171.7-177-84.2000110.3L4 F5 E6 L23 E27 I28 S31H2-L4 VanDerWaalsContact C-N 3.29Å; H2-L4 PolarHBondContact ND1-N 2.92Å; H2-L4 PolarHBondContact O-N 3.37Å; H2-L4 VanDerWaalsContact O-N 3.15Å; H2-F5 HydrophobicContact CB-CD2 4.29Å; H2-F5 WeakPolarHBondContact O-CA 3.25Å; H2-F5 WeakPolarHBondContact O-CB 3.42Å; H2-F5 PolarHBondContact O-N 2.85Å; H2-E6 PolarHBondContact O-N 3.41Å; H2-E6 VanDerWaalsContact O-N 3.08Å; H2-L23 WeakPolarHBondContact CE1-CD1 3.5Å; H2-E27 IonicContact NE2-OE1 2.7Å; H2-I28 HydrophobicContact CB-CG2 4.48Å; H2-S31 PolarHBondContact N-OG 3.49Å
3H86.2Confident84.4Confident112 Ų11250.5 Ų50.552%0.51926%0.256SS..Hα-helixtrans-54.2-40.5-171.3-179.855.8000113.7F5 E6 L7H3-F5 PolarHBondContact O-N 3.5Å; H3-E6 WeakPolarHBondContact O-CB 3.14Å; H3-E6 PolarHBondContact O-N 3.42Å; H3-L7 VanDerWaalsContact NE2-CD1 3.3Å; H3-L7 WeakPolarHBondContact NE2-CD1 3.35Å; H3-L7 WeakPolarHBondContact O-CD1 3.14Å; H3-L7 VanDerWaalsContact O-CG 3.31Å; H3-L7 WeakPolarHBondContact O-CG 3.04Å; H3-L7 PolarHBondContact O-N 2.96Å
4L85.3Confident84.3Confident22 Ų2251.5 Ų51.512%0.11526%0.262CS..Hα-helixtrans-66.4-34.2176.3-75.8176000113.6H2 E6 L7 V8 R16 D19 L20 L23H2-L4 VanDerWaalsContact C-N 3.29Å; H2-L4 PolarHBondContact ND1-N 2.92Å; H2-L4 PolarHBondContact O-N 3.37Å; H2-L4 VanDerWaalsContact O-N 3.15Å; L4-E6 VanDerWaalsContact C-N 3.34Å; L4-L7 HydrophobicContact CD2-CD1 4.03Å; L4-V8 WeakPolarHBondContact O-CB 3.34Å; L4-V8 WeakPolarHBondContact O-CG2 3.35Å; L4-V8 PolarHBondContact O-N 3.4Å; L4-R16 VanDerWaalsContact CD2-NH2 3.25Å; L4-D19 HydrophobicContact CD1-CB 4.2Å; L4-D19 HydrophobicContact CD2-CB 4.37Å; L4-L20 HydrophobicContact CB-CD2 3.77Å; L4-L23 HydrophobicContact CB-CD1 4.2Å; L4-L23 HydrophobicContact CD1-CD1 3.78Å; L4-L23 HydrophobicContact CD1-CD2 3.9Å; L4-L23 HydrophobicContact CD1-CG 3.9Å
5F87.5Confident84Confident0 Ų054.7 Ų54.70%029%0.29CS..Hα-helixtrans-69.2-36.9173.3-88.7-64.7000111M1 H2 H3 V8 L9 L20 I28 L32 A35 C61 R64 I65M1-F5 HydrophobicContact CG-CB 3.57Å; M1-F5 HydrophobicContact SD-CB 3.72Å; H2-F5 HydrophobicContact CB-CD2 4.29Å; H2-F5 WeakPolarHBondContact O-CA 3.25Å; H2-F5 WeakPolarHBondContact O-CB 3.42Å; H2-F5 PolarHBondContact O-N 2.85Å; H3-F5 PolarHBondContact O-N 3.5Å; F5-V8 PolarHBondContact O-N 3.17Å; F5-L9 HydrophobicContact CB-CD1 4.48Å; F5-L9 HydrophobicContact CD1-CD1 3.86Å; F5-L9 VanDerWaalsContact O-CB 3.23Å; F5-L9 WeakPolarHBondContact O-CB 3.43Å; F5-L9 PolarHBondContact O-N 3.45Å; F5-L20 HydrophobicContact CD1-CD1 4.2Å; F5-L20 HydrophobicContact CD1-CD2 3.94Å; F5-L20 HydrophobicContact CD2-CD2 4.15Å; F5-L20 HydrophobicContact CE1-CD1 3.99Å; F5-L20 HydrophobicContact CE1-CD2 4.07Å; F5-L20 HydrophobicContact CE2-CD2 4.26Å; F5-L20 HydrophobicContact CG-CD2 3.97Å; F5-L20 HydrophobicContact CZ-CD2 4.23Å; F5-I28 HydrophobicContact CE2-CB 4.01Å; F5-I28 HydrophobicContact CE2-CD1 4.03Å; F5-I28 HydrophobicContact CE2-CG2 4.12Å; F5-I28 HydrophobicContact CZ-CD1 4.41Å; F5-L32 HydrophobicContact CE2-CD2 4.32Å; F5-L32 HydrophobicContact CZ-CD2 4.48Å; F5-A35 HydrophobicContact CD1-CB 4Å; F5-A35 HydrophobicContact CE1-CB 4.27Å; F5-A35 HydrophobicContact CG-CB 4.2Å; F5-C61 HydrophobicContact CE1-CB 4.28Å; F5-R64 HydrophobicContact CZ-CB 4.44Å; F5-R64 HydrophobicContact CZ-CG 4.09Å; F5-I65 HydrophobicContact CE1-CD1 4.29Å; F5-I65 HydrophobicContact CE1-CG1 4.05Å; F5-I65 HydrophobicContact CZ-CG1 3.89Å
6E86.7Confident83.8Confident99 Ų9956.4 Ų56.446%0.46329%0.292SS..Iπ-helixtrans-63.2-44.9175.1-171.4179.5-168.500111.5M1 H2 H3 L4 V8 A10 Q11M1-E6 HydrophobicContact SD-CB 4.48Å; H2-E6 PolarHBondContact O-N 3.41Å; H2-E6 VanDerWaalsContact O-N 3.08Å; H3-E6 WeakPolarHBondContact O-CB 3.14Å; H3-E6 PolarHBondContact O-N 3.42Å; L4-E6 VanDerWaalsContact C-N 3.34Å; E6-V8 PolarHBondContact O-N 3.34Å; E6-A10 HydrophobicContact CG-CB 4.24Å; E6-A10 VanDerWaalsContact O-CA 3.29Å; E6-A10 WeakPolarHBondContact O-CA 3.35Å; E6-A10 WeakPolarHBondContact O-CB 3.44Å; E6-A10 PolarHBondContact O-N 3.01Å; E6-Q11 PolarHBondContact O-N 2.86Å
7L85.4Confident83.5Confident11 Ų1153.1 Ų53.16%0.05827%0.274CS..Iπ-helixtrans-61.5-46175.4-69.8157.6000112.1H3 L4 Q11H3-L7 VanDerWaalsContact NE2-CD1 3.3Å; H3-L7 WeakPolarHBondContact NE2-CD1 3.35Å; H3-L7 WeakPolarHBondContact O-CD1 3.14Å; H3-L7 VanDerWaalsContact O-CG 3.31Å; H3-L7 WeakPolarHBondContact O-CG 3.04Å; H3-L7 PolarHBondContact O-N 2.96Å; L4-L7 HydrophobicContact CD2-CD1 4.03Å; L7-Q11 CarbonylContact O-C 3.47Å; L7-Q11 WeakPolarHBondContact O-CA 3.49Å; L7-Q11 WeakPolarHBondContact O-CB 3.38Å; L7-Q11 PolarHBondContact O-N 3.31Å
8V87.3Confident83.1Confident0 Ų051.2 Ų51.20%027%0.27CS..Iπ-helixtrans-75.2-41.6-174.6174.60000111.7L4 F5 E6 K12 D13 R16 A17 L20 V57L4-V8 WeakPolarHBondContact O-CB 3.34Å; L4-V8 WeakPolarHBondContact O-CG2 3.35Å; L4-V8 PolarHBondContact O-N 3.4Å; F5-V8 PolarHBondContact O-N 3.17Å; E6-V8 PolarHBondContact O-N 3.34Å; V8-K12 CarbonylContact O-C 3.6Å; V8-K12 WeakPolarHBondContact O-CA 3.47Å; V8-K12 PolarHBondContact O-N 2.84Å; V8-D13 PolarHBondContact O-N 3.35Å; V8-R16 HydrophobicContact CG2-CB 4.22Å; V8-A17 HydrophobicContact CG1-CB 3.74Å; V8-A17 HydrophobicContact CG2-CB 4.36Å; V8-L20 HydrophobicContact CB-CD1 4.24Å; V8-L20 HydrophobicContact CG1-CD1 4.03Å; V8-L20 HydrophobicContact CG2-CD1 4.18Å; V8-L20 HydrophobicContact CG2-CG 4.28Å; V8-V57 HydrophobicContact CG1-CG1 3.93Å; V8-V57 VanDerWaalsContact O-CG1 3.3Å; V8-V57 WeakPolarHBondContact O-CG1 3.36Å
9L87.1Confident83.1Confident2 Ų252.3 Ų52.31%0.0128%0.276CS..Iπ-helixtrans-88.8-46.4-177.5-66.5168.9000112.6M1 F5 A35 Q38 I39 I42 V57 C61M1-L9 HydrophobicContact SD-CD1 4.39Å; F5-L9 HydrophobicContact CB-CD1 4.48Å; F5-L9 HydrophobicContact CD1-CD1 3.86Å; F5-L9 VanDerWaalsContact O-CB 3.23Å; F5-L9 WeakPolarHBondContact O-CB 3.43Å; F5-L9 PolarHBondContact O-N 3.45Å; L9-A35 HydrophobicContact CD1-CB 3.84Å; L9-Q38 HydrophobicContact CB-CB 4.19Å; L9-Q38 HydrophobicContact CD1-CB 4.18Å; L9-I39 HydrophobicContact CD1-CG1 4.26Å; L9-I39 HydrophobicContact CD2-CD1 4.46Å; L9-I39 HydrophobicContact CD2-CG1 3.64Å; L9-I42 HydrophobicContact CB-CD1 4.22Å; L9-I42 HydrophobicContact CD2-CD1 3.89Å; L9-I42 WeakPolarHBondContact O-CD1 3.3Å; L9-V57 HydrophobicContact CD2-CG1 4.02Å; L9-C61 HydrophobicContact CD2-CB 3.96Å; L9-C61 VanDerWaalsContact CD2-SG 3.59Å
10A81.6Confident83Confident63 Ų6349.7 Ų49.752%0.52126%0.263SS..Iπ-helixtrans-78.7-36.4-177.100000112.4E6E6-A10 HydrophobicContact CG-CB 4.24Å; E6-A10 VanDerWaalsContact O-CA 3.29Å; E6-A10 WeakPolarHBondContact O-CA 3.35Å; E6-A10 WeakPolarHBondContact O-CB 3.44Å; E6-A10 PolarHBondContact O-N 3.01Å
11Q81.1Confident83Confident131 Ų13150.9 Ų50.961%0.61227%0.266SS*.SBendtrans-96.3-0.8177-46.8-178.6-300113.4E6 L7 D13E6-Q11 PolarHBondContact O-N 2.86Å; L7-Q11 CarbonylContact O-C 3.47Å; L7-Q11 WeakPolarHBondContact O-CA 3.49Å; L7-Q11 WeakPolarHBondContact O-CB 3.38Å; L7-Q11 PolarHBondContact O-N 3.31Å; Q11-D13 PolarHBondContact O-N 3.24Å; Q11-D13 VanDerWaalsContact O-N 3.14Å
12K83.3Confident83.4Confident79 Ų7953.4 Ų53.434%0.34329%0.288SS..  trans55.529178.4-57.5173.7170.1-156.80113.2V8 L14 N53 D54V8-K12 CarbonylContact O-C 3.6Å; V8-K12 WeakPolarHBondContact O-CA 3.47Å; V8-K12 PolarHBondContact O-N 2.84Å; K12-L14 PolarHBondContact O-N 3.43Å; K12-L14 VanDerWaalsContact O-N 3.1Å; K12-N53 PolarHBondContact O-ND2 3.48Å; K12-N53 VanDerWaalsContact O-ND2 3.07Å; K12-D54 WeakPolarHBondContact CD-OD1 3.37Å; K12-D54 WeakPolarHBondContact CE-OD2 3.18Å; K12-D54 IonicContact NZ-OD1 2.64Å; K12-D54 IonicContact NZ-OD2 2.72Å; K12-D54 PolarHBondContact NZ-OD2 3.42Å
13D83Confident83.2Confident45 Ų4552.8 Ų52.824%0.24129%0.286CS..  trans-81.390.1-174.8-173.9-1.3000111.6V8 Q11 S15 R16 A17V8-D13 PolarHBondContact O-N 3.35Å; Q11-D13 PolarHBondContact O-N 3.24Å; Q11-D13 VanDerWaalsContact O-N 3.14Å; D13-S15 PolarHBondContact O-N 2.88Å; D13-S15 VanDerWaalsContact OD1-CB 3.3Å; D13-S15 WeakPolarHBondContact OD1-CB 3.43Å; D13-S15 PolarHBondContact OD1-N 2.92Å; D13-S15 PolarHBondContact OD1-OG 3.24Å; D13-R16 PolarHBondContact O-N 3.19Å; D13-R16 VanDerWaalsContact OD2-CD 3.23Å; D13-R16 WeakPolarHBondContact OD2-CD 3.42Å; D13-R16 VanDerWaalsContact OD2-CG 3.28Å; D13-R16 WeakPolarHBondContact OD2-CG 3.25Å; D13-A17 PolarHBondContact O-N 3.32Å
14L83.1Confident83.1Confident65 Ų6549.3 Ų49.334%0.3428%0.281SS..THydrogen-bonded Turntrans-62.1-25177.3-176.763.3000113.1K12 R16 A17 N53 A56 V57 I60K12-L14 PolarHBondContact O-N 3.43Å; K12-L14 VanDerWaalsContact O-N 3.1Å; L14-R16 PolarHBondContact O-N 2.93Å; L14-A17 HydrophobicContact CD1-CB 4.16Å; L14-A17 WeakPolarHBondContact O-CB 3.19Å; L14-A17 PolarHBondContact O-N 3.09Å; L14-N53 VanDerWaalsContact CB-OD1 3.28Å; L14-N53 WeakPolarHBondContact CB-OD1 3.36Å; L14-A56 HydrophobicContact CD1-CB 3.82Å; L14-A56 HydrophobicContact CD2-CB 4.15Å; L14-V57 HydrophobicContact CB-CG2 4.05Å; L14-V57 HydrophobicContact CD1-CG2 4.03Å; L14-I60 HydrophobicContact CD1-CD1 3.7Å
15S79.5Confident83.3Confident99 Ų9950.5 Ų50.569%0.69229%0.287SS*.THydrogen-bonded Turntrans-66.1-28.9-178.277.50000112.2D13D13-S15 PolarHBondContact O-N 2.88Å; D13-S15 VanDerWaalsContact OD1-CB 3.3Å; D13-S15 WeakPolarHBondContact OD1-CB 3.43Å; D13-S15 PolarHBondContact OD1-N 2.92Å; D13-S15 PolarHBondContact OD1-OG 3.24Å
16R80.3Confident83.3Confident82 Ų8254.2 Ų54.231%0.30932%0.318SS..THydrogen-bonded Turntrans-100.7-6.6-179.8-61.6-171.169.6-178-1.4114L4 V8 D13 L14 G18 D19L4-R16 VanDerWaalsContact CD2-NH2 3.25Å; V8-R16 HydrophobicContact CG2-CB 4.22Å; D13-R16 PolarHBondContact O-N 3.19Å; D13-R16 VanDerWaalsContact OD2-CD 3.23Å; D13-R16 WeakPolarHBondContact OD2-CD 3.42Å; D13-R16 VanDerWaalsContact OD2-CG 3.28Å; D13-R16 WeakPolarHBondContact OD2-CG 3.25Å; L14-R16 PolarHBondContact O-N 2.93Å; R16-G18 PolarHBondContact O-N 3.1Å; R16-D19 IonicContact NE-OD2 2.98Å; R16-D19 WeakPolarHBondContact O-CB 3.46Å; R16-D19 PolarHBondContact O-N 2.97Å
17A79.8Confident83.4Confident0 Ų054.9 Ų54.90%032%0.321CS..G310 helixtrans-55.6-26.6176.900000112.3V8 D13 L14 L20 I60V8-A17 HydrophobicContact CG1-CB 3.74Å; V8-A17 HydrophobicContact CG2-CB 4.36Å; D13-A17 PolarHBondContact O-N 3.32Å; L14-A17 HydrophobicContact CD1-CB 4.16Å; L14-A17 WeakPolarHBondContact O-CB 3.19Å; L14-A17 PolarHBondContact O-N 3.09Å; A17-L20 WeakPolarHBondContact O-CB 3.39Å; A17-I60 HydrophobicContact CB-CB 4.48Å; A17-I60 HydrophobicContact CB-CD1 3.91Å; A17-I60 HydrophobicContact CB-CG2 4.02Å
18G75.3Confident83.7Confident19 Ų1954.4 Ų54.420%0.19632%0.319CS..G310 helixtrans-71.5-29.4177.100000115.7R16 L20 F21 W729R16-G18 PolarHBondContact O-N 3.1Å; G18-L20 PolarHBondContact O-N 3.47Å; G18-F21 PolarHBondContact O-N 3.15Å; G18-W729 WeakPolarHBondContact O-CH2 3.44Å
19D82.9Confident83.8Confident73 Ų7356.1 Ų56.139%0.3933%0.327SS..G310 helixtrans-69.7-19.6-177.1-58.4-26.5000111.8L4 R16 F21 S22L4-D19 HydrophobicContact CD1-CB 4.2Å; L4-D19 HydrophobicContact CD2-CB 4.37Å; R16-D19 IonicContact NE-OD2 2.98Å; R16-D19 WeakPolarHBondContact O-CB 3.46Å; R16-D19 PolarHBondContact O-N 2.97Å; D19-F21 PolarHBondContact O-N 3.32Å; D19-F21 VanDerWaalsContact O-N 3.1Å; D19-S22 WeakPolarHBondContact O-CB 3.37Å; D19-S22 PolarHBondContact O-N 2.83Å
20L81.3Confident84Confident0 Ų059.5 Ų59.50%036%0.362CS..G310 helixtrans-55.8-27.3175.4-69.7173.6000112.9L4 F5 V8 A17 G18 L23 R64L4-L20 HydrophobicContact CB-CD2 3.77Å; F5-L20 HydrophobicContact CD1-CD1 4.2Å; F5-L20 HydrophobicContact CD1-CD2 3.94Å; F5-L20 HydrophobicContact CD2-CD2 4.15Å; F5-L20 HydrophobicContact CE1-CD1 3.99Å; F5-L20 HydrophobicContact CE1-CD2 4.07Å; F5-L20 HydrophobicContact CE2-CD2 4.26Å; F5-L20 HydrophobicContact CG-CD2 3.97Å; F5-L20 HydrophobicContact CZ-CD2 4.23Å; V8-L20 HydrophobicContact CB-CD1 4.24Å; V8-L20 HydrophobicContact CG1-CD1 4.03Å; V8-L20 HydrophobicContact CG2-CD1 4.18Å; V8-L20 HydrophobicContact CG2-CG 4.28Å; A17-L20 WeakPolarHBondContact O-CB 3.39Å; G18-L20 PolarHBondContact O-N 3.47Å; L20-L23 HydrophobicContact CD2-CD1 4.44Å; L20-R64 HydrophobicContact CB-CG 4.19Å; L20-R64 VanDerWaalsContact O-CD 3.31Å; L20-R64 WeakPolarHBondContact O-CD 3.43Å; L20-R64 PolarHBondContact O-NE 3.03Å
21F83.1Confident84.5Confident74 Ų7457.3 Ų57.333%0.32534%0.343SS..G310 helixtrans-85.6-9-178.3-69.4-101.1000113.5G18 D19 I60 T63 R64 W729G18-F21 PolarHBondContact O-N 3.15Å; D19-F21 PolarHBondContact O-N 3.32Å; D19-F21 VanDerWaalsContact O-N 3.1Å; F21-I60 HydrophobicContact CE2-CG2 3.68Å; F21-I60 HydrophobicContact CZ-CG2 4.38Å; F21-T63 HydrophobicContact CE1-CG2 4.39Å; F21-T63 HydrophobicContact CZ-CG2 4.23Å; F21-R64 HydrophobicContact CE1-CB 4.38Å; F21-R64 HydrophobicContact CE2-CB 4.03Å; F21-R64 HydrophobicContact CZ-CB 3.85Å; F21-W729 HydrophobicContact CB-CH2 4.5Å; F21-W729 HydrophobicContact CD1-CZ3 4.28Å; F21-W729 HydrophobicContact CD2-CE3 4.44Å; F21-W729 AromaticContact CD2-CH2 3.54Å; F21-W729 HydrophobicContact CD2-CH2 3.54Å; F21-W729 AromaticContact CD2-CZ3 3.22Å; F21-W729 HydrophobicContact CD2-CZ3 3.22Å; F21-W729 HydrophobicContact CE1-CZ3 4.29Å; F21-W729 HydrophobicContact CE2-CE3 4.15Å; F21-W729 AromaticContact CE2-CH2 3.99Å; F21-W729 HydrophobicContact CE2-CH2 3.99Å; F21-W729 AromaticContact CE2-CZ3 3.27Å; F21-W729 HydrophobicContact CE2-CZ3 3.27Å; F21-W729 HydrophobicContact CG-CH2 4.1Å; F21-W729 AromaticContact CG-CZ3 3.77Å; F21-W729 HydrophobicContact CG-CZ3 3.77Å; F21-W729 HydrophobicContact CZ-CE3 4.41Å; F21-W729 AromaticContact CZ-CZ3 3.81Å; F21-W729 HydrophobicContact CZ-CZ3 3.81Å
22S83.7Confident85.1Confident107 Ų10751 Ų5175%0.74831%0.314SS*.G310 helixtrans-84.5-15.5172.6-54.50000112.4D19D19-S22 WeakPolarHBondContact O-CB 3.37Å; D19-S22 PolarHBondContact O-N 2.83Å
23L84.3Confident85.6Confident25 Ų2549.4 Ų49.413%0.13131%0.312CS..SBendtrans-76.4145.6177.4-62.2175.5000111.8H2 L4 L20 I28 R64H2-L23 WeakPolarHBondContact CE1-CD1 3.5Å; L4-L23 HydrophobicContact CB-CD1 4.2Å; L4-L23 HydrophobicContact CD1-CD1 3.78Å; L4-L23 HydrophobicContact CD1-CD2 3.9Å; L4-L23 HydrophobicContact CD1-CG 3.9Å; L20-L23 HydrophobicContact CD2-CD1 4.44Å; L23-I28 HydrophobicContact CB-CG2 4.02Å; L23-I28 HydrophobicContact CD1-CG2 3.53Å; L23-I28 HydrophobicContact CG-CG2 4.42Å; L23-R64 PolarHBondContact O-NH2 2.94Å
24G83.7Confident86.1Confident39 Ų3951.7 Ų51.740%0.40232%0.321SS..  trans-68.5146173.100000112.2A26 E27G24-A26 VanDerWaalsContact C-N 3.34Å; G24-A26 PolarHBondContact O-N 3.12Å; G24-E27 PolarHBondContact N-OE2 3.31Å; G24-E27 WeakPolarHBondContact O-CB 3.42Å; G24-E27 PolarHBondContact O-N 3.41Å
25D89.4Confident86.6Confident47 Ų4748.6 Ų48.625%0.25131%0.305SS..Hα-helixtrans-62.6-39-177.4-62.2-49.6000112.8E27 I28 E29 R64 A68 E71 T72D25-E27 VanDerWaalsContact C-N 3.32Å; D25-E27 PolarHBondContact O-N 3.3Å; D25-I28 WeakPolarHBondContact O-CG1 3.3Å; D25-I28 PolarHBondContact O-N 3.36Å; D25-E29 PolarHBondContact O-N 3.26Å; D25-R64 IonicContact OD1-CZ 3.94Å; D25-R64 IonicContact OD1-NH1 2.67Å; D25-R64 PolarHBondContact OD1-NH1 3.32Å; D25-R64 IonicContact OD1-NH2 3.79Å; D25-R64 PolarHBondContact OD1-NH2 3.07Å; D25-A68 HydrophobicContact CB-CB 4.41Å; D25-E71 HydrophobicContact CB-CB 4.34Å; D25-T72 HydrophobicContact CB-CG2 3.84Å
26A88.3Confident87.3Confident78 Ų7843.9 Ų43.965%0.64527%0.272SS*.Hα-helixtrans-68.5-28.7177.800000113.3G24 I28G24-A26 VanDerWaalsContact C-N 3.34Å; G24-A26 PolarHBondContact O-N 3.12Å; A26-I28 VanDerWaalsContact C-N 3.32Å
27E89.2Confident88Confident114 Ų11442.9 Ų42.953%0.53327%0.271SS..Hα-helixtrans-67.8-35.6179.8-177-179.9-171.300111.5H2 G24 D25H2-E27 IonicContact NE2-OE1 2.7Å; G24-E27 PolarHBondContact N-OE2 3.31Å; G24-E27 WeakPolarHBondContact O-CB 3.42Å; G24-E27 PolarHBondContact O-N 3.41Å; D25-E27 VanDerWaalsContact C-N 3.32Å; D25-E27 PolarHBondContact O-N 3.3Å
28I90.1Very high88.6Confident0 Ų045.7 Ų45.70%028%0.284CS..Hα-helixtrans-95.7-11.2-17760.8172.4000114H2 F5 L23 D25 A26 G30 S31 L32 R64 A68H2-I28 HydrophobicContact CB-CG2 4.48Å; F5-I28 HydrophobicContact CE2-CB 4.01Å; F5-I28 HydrophobicContact CE2-CD1 4.03Å; F5-I28 HydrophobicContact CE2-CG2 4.12Å; F5-I28 HydrophobicContact CZ-CD1 4.41Å; L23-I28 HydrophobicContact CB-CG2 4.02Å; L23-I28 HydrophobicContact CD1-CG2 3.53Å; L23-I28 HydrophobicContact CG-CG2 4.42Å; D25-I28 WeakPolarHBondContact O-CG1 3.3Å; D25-I28 PolarHBondContact O-N 3.36Å; A26-I28 VanDerWaalsContact C-N 3.32Å; I28-G30 VanDerWaalsContact C-N 3.27Å; I28-G30 PolarHBondContact O-N 2.77Å; I28-S31 WeakPolarHBondContact O-CB 3.37Å; I28-S31 PolarHBondContact O-N 3.11Å; I28-L32 HydrophobicContact CB-CD2 4.38Å; I28-L32 HydrophobicContact CD1-CD2 4.23Å; I28-L32 HydrophobicContact CG1-CD2 4.18Å; I28-L32 WeakPolarHBondContact O-CD2 3.21Å; I28-L32 WeakPolarHBondContact O-CG 3.23Å; I28-L32 PolarHBondContact O-N 3.24Å; I28-R64 HydrophobicContact CD1-CG 3.99Å; I28-A68 HydrophobicContact CD1-CB 3.81Å; I28-A68 HydrophobicContact CG1-CB 4.09Å
29E90.7Very high89.5Confident36 Ų3644.8 Ų44.817%0.16828%0.275CS..G310 helixtrans-49.3-47.6-177-170.6-167.9159.100111.8D25 S31 L32 S74 K77 H78D25-E29 PolarHBondContact O-N 3.26Å; E29-S31 PolarHBondContact O-N 3.35Å; E29-S31 VanDerWaalsContact O-N 3.08Å; E29-L32 WeakPolarHBondContact O-CG 3.31Å; E29-L32 PolarHBondContact O-N 3.41Å; E29-S74 VanDerWaalsContact OE1-CB 3.28Å; E29-S74 WeakPolarHBondContact OE1-CB 3.42Å; E29-K77 WeakPolarHBondContact OE1-CD 3.36Å; E29-K77 IonicContact OE1-NZ 2.62Å; E29-K77 PolarHBondContact OE1-NZ 3.14Å; E29-H78 PolarHBondContact O-CE1 3.36Å; E29-H78 PolarHBondContact O-NE2 3.41Å
30G89.8Confident90Very high74 Ų7445.3 Ų45.376%0.76327%0.272SS*.G310 helixtrans-62.9-18.8-179.600000114.7I28I28-G30 VanDerWaalsContact C-N 3.27Å; I28-G30 PolarHBondContact O-N 2.77Å
31S92Very high90.6Very high16 Ų1649.8 Ų49.811%0.11229%0.294CS..G310 helixtrans-99.7-8.4-176.4-62.10000114.2H2 I28 E29 S33 E34 A35H2-S31 PolarHBondContact N-OG 3.49Å; I28-S31 WeakPolarHBondContact O-CB 3.37Å; I28-S31 PolarHBondContact O-N 3.11Å; E29-S31 PolarHBondContact O-N 3.35Å; E29-S31 VanDerWaalsContact O-N 3.08Å; S31-S33 PolarHBondContact O-N 3.07Å; S31-E34 PolarHBondContact O-N 3.31Å; S31-A35 WeakPolarHBondContact O-CB 3.46Å; S31-A35 PolarHBondContact O-N 3.36Å
32L93.6Very high91Very high0 Ų046.8 Ų46.80%028%0.281CS..Hα-helixtrans-65.2-39.9-168.4-57.6-178000113.1F5 I28 E29 E34 A35 L36 I65 A68 I69F5-L32 HydrophobicContact CE2-CD2 4.32Å; F5-L32 HydrophobicContact CZ-CD2 4.48Å; I28-L32 HydrophobicContact CB-CD2 4.38Å; I28-L32 HydrophobicContact CD1-CD2 4.23Å; I28-L32 HydrophobicContact CG1-CD2 4.18Å; I28-L32 WeakPolarHBondContact O-CD2 3.21Å; I28-L32 WeakPolarHBondContact O-CG 3.23Å; I28-L32 PolarHBondContact O-N 3.24Å; E29-L32 WeakPolarHBondContact O-CG 3.31Å; E29-L32 PolarHBondContact O-N 3.41Å; L32-E34 VanDerWaalsContact C-N 3.34Å; L32-E34 PolarHBondContact O-N 2.88Å; L32-A35 PolarHBondContact O-N 3.03Å; L32-L36 WeakPolarHBondContact O-CG 3.43Å; L32-L36 PolarHBondContact O-N 3.33Å; L32-I65 HydrophobicContact CB-CG2 4.18Å; L32-I65 HydrophobicContact CD2-CB 4.38Å; L32-I65 HydrophobicContact CD2-CG1 4.02Å; L32-I65 HydrophobicContact CD2-CG2 4.29Å; L32-A68 HydrophobicContact CD1-CB 3.82Å; L32-A68 HydrophobicContact CD2-CB 4.17Å; L32-I69 HydrophobicContact CD1-CD1 4.48Å; L32-I69 HydrophobicContact CD1-CG1 3.62Å
33S94.1Very high91.4Very high44 Ų4441.7 Ų41.731%0.30825%0.246SC..Hα-helixtrans-63-40.9178.2-64.20000112.3S31 L36 E37 H78S31-S33 PolarHBondContact O-N 3.07Å; S33-L36 PolarHBondContact O-N 2.95Å; S33-E37 PolarHBondContact O-N 3.25Å; S33-E37 VanDerWaalsContact O-N 3.15Å; S33-H78 PolarHBondContact OG-ND1 2.91Å
34E93.3Very high91.7Very high93 Ų9342.9 Ų42.944%0.43526%0.256SS..Hα-helixtrans-71.1-37.5179.1-161-171.9161.400110.9M1 S31 L32 E37 Q38M1-E34 WeakPolarHBondContact CA-OE2 3.33Å; M1-E34 HydrophobicContact CB-CG 4.42Å; M1-E34 WeakPolarHBondContact CB-OE2 3.46Å; M1-E34 HydrophobicContact CE-CB 3.84Å; M1-E34 HydrophobicContact CE-CG 3.54Å; M1-E34 VanDerWaalsContact CE-O 3.25Å; M1-E34 WeakPolarHBondContact CE-O 3.34Å; M1-E34 PolarHBondContact N-OE1 3.44Å; M1-E34 PolarHBondContact N-OE2 3.25Å; S31-E34 PolarHBondContact O-N 3.31Å; L32-E34 VanDerWaalsContact C-N 3.34Å; L32-E34 PolarHBondContact O-N 2.88Å; E34-E37 WeakPolarHBondContact O-CB 3.27Å; E34-E37 PolarHBondContact O-N 3.37Å; E34-Q38 PolarHBondContact O-N 3.38Å
35A93.6Very high92.1Very high0 Ų042.5 Ų42.50%025%0.248CC..Hα-helixtrans-63.8-40.9174.600000111.9M1 F5 L9 S31 L32 E37 Q38 I39 I65M1-A35 HydrophobicContact CE-CB 4.41Å; F5-A35 HydrophobicContact CD1-CB 4Å; F5-A35 HydrophobicContact CE1-CB 4.27Å; F5-A35 HydrophobicContact CG-CB 4.2Å; L9-A35 HydrophobicContact CD1-CB 3.84Å; S31-A35 WeakPolarHBondContact O-CB 3.46Å; S31-A35 PolarHBondContact O-N 3.36Å; L32-A35 PolarHBondContact O-N 3.03Å; A35-E37 VanDerWaalsContact C-N 3.29Å; A35-E37 PolarHBondContact O-N 2.88Å; A35-Q38 PolarHBondContact O-N 2.92Å; A35-I39 WeakPolarHBondContact O-CD1 3.07Å; A35-I39 VanDerWaalsContact O-CG1 3.29Å; A35-I39 WeakPolarHBondContact O-CG1 3.38Å; A35-I39 PolarHBondContact O-N 3.4Å; A35-I65 HydrophobicContact CB-CD1 3.74Å; A35-I65 HydrophobicContact CB-CG1 4.4Å
36L95.1Very high91.9Very high1 Ų145.4 Ų45.41%0.00528%0.278CS..Hα-helixtrans-61.7-37.3173.3-73.4166.5000112.3L32 S33 I39 R40 I65 A81 L82 L85 I112L32-L36 WeakPolarHBondContact O-CG 3.43Å; L32-L36 PolarHBondContact O-N 3.33Å; S33-L36 PolarHBondContact O-N 2.95Å; L36-I39 PolarHBondContact O-N 2.68Å; L36-R40 PolarHBondContact O-N 3.11Å; L36-I65 HydrophobicContact CD1-CG2 4.13Å; L36-I65 HydrophobicContact CD2-CD1 4.13Å; L36-I65 HydrophobicContact CD2-CG2 4.01Å; L36-I65 HydrophobicContact CG-CD1 4.18Å; L36-I65 HydrophobicContact CG-CG2 4Å; L36-A81 HydrophobicContact CB-CB 4.04Å; L36-A81 HydrophobicContact CD1-CB 3.83Å; L36-L82 HydrophobicContact CD1-CB 4.5Å; L36-L82 HydrophobicContact CD1-CD2 3.61Å; L36-L82 HydrophobicContact CD1-CG 3.71Å; L36-L82 HydrophobicContact CD2-CD2 3.77Å; L36-L82 HydrophobicContact CG-CD2 4.36Å; L36-L85 HydrophobicContact CD2-CD2 3.7Å; L36-I112 HydrophobicContact CD2-CD1 4.35Å
37E93.9Very high91.9Very high61 Ų6145 Ų4529%0.28527%0.265SS..Hα-helixtrans-66.4-42.7175.6-175.154.7-140.900111.9S33 E34 A35 I39 R40 I41S33-E37 PolarHBondContact O-N 3.25Å; S33-E37 VanDerWaalsContact O-N 3.15Å; E34-E37 WeakPolarHBondContact O-CB 3.27Å; E34-E37 PolarHBondContact O-N 3.37Å; A35-E37 VanDerWaalsContact C-N 3.29Å; A35-E37 PolarHBondContact O-N 2.88Å; E37-I39 VanDerWaalsContact C-N 3.35Å; E37-I39 PolarHBondContact O-N 3.36Å; E37-R40 VanDerWaalsContact O-CB 3.29Å; E37-R40 WeakPolarHBondContact O-CB 3.47Å; E37-R40 PolarHBondContact O-N 3.23Å; E37-R40 VanDerWaalsContact O-N 3.15Å; E37-R40 IonicContact OE1-CZ 3.88Å; E37-R40 IonicContact OE1-NE 2.94Å; E37-R40 PolarHBondContact OE1-NE 3.33Å; E37-R40 IonicContact OE1-NH2 3.74Å; E37-R40 PolarHBondContact OE1-NH2 2.9Å; E37-R40 IonicContact OE2-CZ 2.68Å; E37-R40 IonicContact OE2-NE 2.65Å; E37-R40 PolarHBondContact OE2-NE 2.78Å; E37-R40 VanDerWaalsContact OE2-NE 3.15Å; E37-R40 IonicContact OE2-NH1 3.26Å; E37-R40 IonicContact OE2-NH2 2.82Å; E37-R40 PolarHBondContact OE2-NH2 3.01Å; E37-I41 WeakPolarHBondContact O-CG1 3.47Å; E37-I41 PolarHBondContact O-N 2.99Å
38Q93.1Very high91.9Very high59 Ų5939.8 Ų39.828%0.27624%0.241SC..Hα-helixtrans-64.6-39.2174.3-67.9-58.4-38.500112.3M1 L9 E34 A35 R40 I41 I42M1-Q38 HydrophobicContact CE-CB 4.15Å; M1-Q38 HydrophobicContact CE-CG 3.34Å; M1-Q38 HydrophobicContact SD-CG 4.37Å; L9-Q38 HydrophobicContact CB-CB 4.19Å; L9-Q38 HydrophobicContact CD1-CB 4.18Å; E34-Q38 PolarHBondContact O-N 3.38Å; A35-Q38 PolarHBondContact O-N 2.92Å; Q38-R40 VanDerWaalsContact C-N 3.26Å; Q38-R40 PolarHBondContact O-N 3.43Å; Q38-I41 PolarHBondContact O-N 3.35Å; Q38-I42 WeakPolarHBondContact O-CG1 3.16Å; Q38-I42 PolarHBondContact O-N 2.98Å
39I94.4Very high91.7Very high0 Ų045 Ų450%027%0.265CS..Hα-helixtrans-59.3-40.6172.5-70.5161.6000110.8L9 A35 L36 E37 I41 I42 S43 V58 C61 I62 I65 L85L9-I39 HydrophobicContact CD1-CG1 4.26Å; L9-I39 HydrophobicContact CD2-CD1 4.46Å; L9-I39 HydrophobicContact CD2-CG1 3.64Å; A35-I39 WeakPolarHBondContact O-CD1 3.07Å; A35-I39 VanDerWaalsContact O-CG1 3.29Å; A35-I39 WeakPolarHBondContact O-CG1 3.38Å; A35-I39 PolarHBondContact O-N 3.4Å; L36-I39 PolarHBondContact O-N 2.68Å; E37-I39 VanDerWaalsContact C-N 3.35Å; E37-I39 PolarHBondContact O-N 3.36Å; I39-I41 PolarHBondContact O-N 3.23Å; I39-I42 PolarHBondContact O-N 2.86Å; I39-S43 WeakPolarHBondContact O-CB 3.46Å; I39-S43 PolarHBondContact O-N 3.43Å; I39-S43 PolarHBondContact O-OG 3.28Å; I39-V58 HydrophobicContact CG2-CB 4.44Å; I39-V58 HydrophobicContact CG2-CG1 3.63Å; I39-V58 HydrophobicContact CG2-CG2 4.14Å; I39-C61 HydrophobicContact CD1-CB 3.8Å; I39-C61 HydrophobicContact CG1-CB 4.33Å; I39-I62 HydrophobicContact CD1-CG1 3.98Å; I39-I62 HydrophobicContact CG2-CD1 4.17Å; I39-I62 HydrophobicContact CG2-CG1 4.21Å; I39-I65 HydrophobicContact CD1-CD1 3.42Å; I39-I65 VanDerWaalsContact CD1-CD1 3.42Å; I39-L85 HydrophobicContact CB-CD2 4.34Å; I39-L85 HydrophobicContact CG2-CD1 3.9Å; I39-L85 HydrophobicContact CG2-CD2 3.72Å; I39-L85 HydrophobicContact CG2-CG 4.49Å
40R94.4Very high91.4Very high84 Ų8448.9 Ų48.932%0.31729%0.291SS..Hα-helixtrans-58.7-48.5175.6-172.617472.1162.34.5110.9L36 E37 Q38 I42 S43 S44 L85L36-R40 PolarHBondContact O-N 3.11Å; E37-R40 VanDerWaalsContact O-CB 3.29Å; E37-R40 WeakPolarHBondContact O-CB 3.47Å; E37-R40 PolarHBondContact O-N 3.23Å; E37-R40 VanDerWaalsContact O-N 3.15Å; E37-R40 IonicContact OE1-CZ 3.88Å; E37-R40 IonicContact OE1-NE 2.94Å; E37-R40 PolarHBondContact OE1-NE 3.33Å; E37-R40 IonicContact OE1-NH2 3.74Å; E37-R40 PolarHBondContact OE1-NH2 2.9Å; E37-R40 IonicContact OE2-CZ 2.68Å; E37-R40 IonicContact OE2-NE 2.65Å; E37-R40 PolarHBondContact OE2-NE 2.78Å; E37-R40 VanDerWaalsContact OE2-NE 3.15Å; E37-R40 IonicContact OE2-NH1 3.26Å; E37-R40 IonicContact OE2-NH2 2.82Å; E37-R40 PolarHBondContact OE2-NH2 3.01Å; Q38-R40 VanDerWaalsContact C-N 3.26Å; Q38-R40 PolarHBondContact O-N 3.43Å; R40-I42 PolarHBondContact O-N 3.35Å; R40-S43 PolarHBondContact O-N 2.97Å; R40-S43 PolarHBondContact O-OG 3.45Å; R40-S43 VanDerWaalsContact O-OG 3.06Å; R40-S44 WeakPolarHBondContact O-CB 3.49Å; R40-S44 PolarHBondContact O-N 3.36Å; R40-S44 PolarHBondContact O-OG 3.25Å; R40-S44 VanDerWaalsContact O-OG 3.11Å; R40-L85 HydrophobicContact CB-CD1 3.91Å; R40-L85 HydrophobicContact CG-CD1 4.39Å
41I92.2Very high91.4Very high93 Ų9347.2 Ų47.248%0.47727%0.265SS..Hα-helixtrans-58.5-46.3177.7-65164.8000111.7E37 Q38 I39 S44E37-I41 WeakPolarHBondContact O-CG1 3.47Å; E37-I41 PolarHBondContact O-N 2.99Å; Q38-I41 PolarHBondContact O-N 3.35Å; I39-I41 PolarHBondContact O-N 3.23Å; I41-S44 PolarHBondContact O-N 3.21Å
42I91.6Very high91.1Very high11 Ų1152.5 Ų52.56%0.05629%0.292CS..Hα-helixtrans-65.2-47.7179.8-63.5164.3000110.6L9 Q38 I39 R40 S44 S45 Y48 D54 V58L9-I42 HydrophobicContact CB-CD1 4.22Å; L9-I42 HydrophobicContact CD2-CD1 3.89Å; L9-I42 WeakPolarHBondContact O-CD1 3.3Å; Q38-I42 WeakPolarHBondContact O-CG1 3.16Å; Q38-I42 PolarHBondContact O-N 2.98Å; I39-I42 PolarHBondContact O-N 2.86Å; R40-I42 PolarHBondContact O-N 3.35Å; I42-S44 VanDerWaalsContact C-N 3.26Å; I42-S44 PolarHBondContact O-N 3.45Å; I42-S45 WeakPolarHBondContact O-CB 3.35Å; I42-S45 PolarHBondContact O-N 2.88Å; I42-S45 VanDerWaalsContact O-N 3.1Å; I42-S45 PolarHBondContact O-OG 3.16Å; I42-Y48 HydrophobicContact CG2-CD2 4.22Å; I42-Y48 HydrophobicContact CG2-CE2 4.36Å; I42-D54 HydrophobicContact CG2-CB 3.89Å; I42-V58 HydrophobicContact CB-CG2 4.21Å; I42-V58 HydrophobicContact CG2-CG2 3.81Å
43S92.1Very high90.9Very high0 Ų055.3 Ų55.30%031%0.307CS..Hα-helixtrans-68.5-23.4-177.763.20000113.8I39 R40 S45 H105I39-S43 WeakPolarHBondContact O-CB 3.46Å; I39-S43 PolarHBondContact O-N 3.43Å; I39-S43 PolarHBondContact O-OG 3.28Å; R40-S43 PolarHBondContact O-N 2.97Å; R40-S43 PolarHBondContact O-OG 3.45Å; R40-S43 VanDerWaalsContact O-OG 3.06Å; S43-S45 VanDerWaalsContact C-N 3.29Å; S43-H105 PolarHBondContact O-NE2 3.25Å
44S91.9Very high90.7Very high50 Ų5053.3 Ų53.335%0.3529%0.293SS..THydrogen-bonded Turntrans-81.3-3.7173.9-67.60000113.7R40 I41 I42R40-S44 WeakPolarHBondContact O-CB 3.49Å; R40-S44 PolarHBondContact O-N 3.36Å; R40-S44 PolarHBondContact O-OG 3.25Å; R40-S44 VanDerWaalsContact O-OG 3.11Å; I41-S44 PolarHBondContact O-N 3.21Å; I42-S44 VanDerWaalsContact C-N 3.26Å; I42-S44 PolarHBondContact O-N 3.45Å
45S90.8Very high90.5Very high32 Ų3250.2 Ų50.222%0.22428%0.278CS..SBendtrans-68.2145.9178.286.30000111.7I42 S43 D47 Y48I42-S45 WeakPolarHBondContact O-CB 3.35Å; I42-S45 PolarHBondContact O-N 2.88Å; I42-S45 VanDerWaalsContact O-N 3.1Å; I42-S45 PolarHBondContact O-OG 3.16Å; S43-S45 VanDerWaalsContact C-N 3.29Å; S45-D47 VanDerWaalsContact CB-OD1 3.24Å; S45-D47 WeakPolarHBondContact CB-OD1 3.37Å; S45-D47 PolarHBondContact O-N 3.4Å; S45-D47 PolarHBondContact OG-OD1 3.34Å; S45-Y48 WeakPolarHBondContact O-CB 3.06Å; S45-Y48 PolarHBondContact O-N 2.89Å; S45-Y48 PolarHBondContact OG-N 3.33Å
46A85.6Confident90.3Very high108 Ų10851.5 Ų51.589%0.89329%0.289SS*.THydrogen-bonded Turntrans-65.4-28.5-177.100000112.9
47D88.8Confident90Very high68 Ų6851.5 Ų51.536%0.36429%0.289SS..THydrogen-bonded Turntrans-87.3-8.6179.867.1-46.8000113.7S45 Q49 T50 N51S45-D47 VanDerWaalsContact CB-OD1 3.24Å; S45-D47 WeakPolarHBondContact CB-OD1 3.37Å; S45-D47 PolarHBondContact O-N 3.4Å; S45-D47 PolarHBondContact OG-OD1 3.34Å; D47-Q49 VanDerWaalsContact C-N 3.26Å; D47-Q49 PolarHBondContact O-N 3.48Å; D47-Q49 VanDerWaalsContact O-N 3.17Å; D47-T50 PolarHBondContact O-N 3.43Å; D47-T50 PolarHBondContact O-OG1 3.17Å; D47-N51 VanDerWaalsContact O-CB 3.32Å; D47-N51 WeakPolarHBondContact O-CB 3.24Å; D47-N51 PolarHBondContact O-N 3.14Å; D47-N51 PolarHBondContact OD2-ND2 3.07Å
48Y89.8Confident89.9Confident5 Ų548.6 Ų48.62%0.0228%0.275CS..G310 helixtrans-54.9-39.6-174.2-177.8-110.2000113I42 S45 T50 N51 D54 Q55 V58 P104 H105 I108I42-Y48 HydrophobicContact CG2-CD2 4.22Å; I42-Y48 HydrophobicContact CG2-CE2 4.36Å; S45-Y48 WeakPolarHBondContact O-CB 3.06Å; S45-Y48 PolarHBondContact O-N 2.89Å; S45-Y48 PolarHBondContact OG-N 3.33Å; Y48-T50 PolarHBondContact O-N 3.42Å; Y48-N51 PolarHBondContact O-N 3.43Å; Y48-D54 HydrophobicContact CD2-CB 4.02Å; Y48-D54 HydrophobicContact CE2-CB 4.26Å; Y48-Q55 HydrophobicContact CD2-CG 4.34Å; Y48-Q55 HydrophobicContact CE1-CG 4.28Å; Y48-Q55 HydrophobicContact CE2-CB 4.42Å; Y48-Q55 HydrophobicContact CE2-CG 3.88Å; Y48-Q55 WeakPolarHBondContact O-CG 3.37Å; Y48-Q55 PolarHBondContact O-NE2 3.4Å; Y48-V58 HydrophobicContact CE2-CB 4.26Å; Y48-V58 HydrophobicContact CE2-CG2 3.9Å; Y48-V58 WeakPolarHBondContact OH-CG1 3.33Å; Y48-P104 HydrophobicContact CD1-CB 4.15Å; Y48-P104 HydrophobicContact CE1-CB 3.53Å; Y48-H105 AromaticContact CD1-CE1 3.6Å; Y48-H105 AromaticContact CD1-NE2 3.77Å; Y48-I108 HydrophobicContact CE1-CD1 4.03Å
49Q85.3Confident89.8Confident111 Ų11148.5 Ų48.552%0.51928%0.275SS..G310 helixtrans-61.9-26.3179.9-67.8-177.928.200113.6D47 Q55D47-Q49 VanDerWaalsContact C-N 3.26Å; D47-Q49 PolarHBondContact O-N 3.48Å; D47-Q49 VanDerWaalsContact O-N 3.17Å; Q49-Q55 VanDerWaalsContact C-NE2 3.34Å; Q49-Q55 PolarHBondContact O-NE2 3.5Å
50T85.1Confident89.5Confident116 Ų11649.7 Ų49.771%0.71228%0.281SS*.G310 helixtrans-108.7-6.8-177.650.60000113.5D47 Y48D47-T50 PolarHBondContact O-N 3.43Å; D47-T50 PolarHBondContact O-OG1 3.17Å; Y48-T50 PolarHBondContact O-N 3.42Å
51N88.4Confident89.4Confident39 Ų3945.7 Ų45.721%0.20927%0.266CS..  trans-98.693.4-175.7-172.9-22.3000111.1D47 Y48 N53 D54 Q55D47-N51 VanDerWaalsContact O-CB 3.32Å; D47-N51 WeakPolarHBondContact O-CB 3.24Å; D47-N51 PolarHBondContact O-N 3.14Å; D47-N51 PolarHBondContact OD2-ND2 3.07Å; Y48-N51 PolarHBondContact O-N 3.43Å; N51-N53 PolarHBondContact O-N 3.3Å; N51-N53 WeakPolarHBondContact OD1-CB 3.36Å; N51-N53 PolarHBondContact OD1-N 3.31Å; N51-D54 HydrophobicContact CB-CB 4.25Å; N51-D54 VanDerWaalsContact ND2-CG 3.28Å; N51-D54 PolarHBondContact ND2-OD2 3.16Å; N51-D54 VanDerWaalsContact ND2-OD2 3.17Å; N51-D54 PolarHBondContact O-N 3.03Å; N51-D54 PolarHBondContact OD1-N 3.19Å; N51-D54 VanDerWaalsContact OD1-N 3.14Å; N51-Q55 WeakPolarHBondContact O-CG 3.39Å; N51-Q55 PolarHBondContact O-N 3.45Å; N51-Q55 VanDerWaalsContact O-N 3.11Å
52D86.9Confident89.5Confident127 Ų12741.3 Ų41.368%0.67924%0.243SC*.Hα-helixtrans-60.7-30.3-179-67.2-25.9000113.3A56D52-A56 WeakPolarHBondContact O-CB 3.42Å; D52-A56 PolarHBondContact O-N 2.98Å
53N88.7Confident89.4Confident59 Ų5941.6 Ų41.632%0.31625%0.246SC..Hα-helixtrans-67.8-49.3179.4-176.371.1000110.7K12 L14 N51 Q55 A56 V57K12-N53 PolarHBondContact O-ND2 3.48Å; K12-N53 VanDerWaalsContact O-ND2 3.07Å; L14-N53 VanDerWaalsContact CB-OD1 3.28Å; L14-N53 WeakPolarHBondContact CB-OD1 3.36Å; N51-N53 PolarHBondContact O-N 3.3Å; N51-N53 WeakPolarHBondContact OD1-CB 3.36Å; N51-N53 PolarHBondContact OD1-N 3.31Å; N53-Q55 VanDerWaalsContact C-N 3.33Å; N53-Q55 PolarHBondContact O-N 2.82Å; N53-A56 PolarHBondContact O-N 3.2Å; N53-V57 WeakPolarHBondContact O-CG2 3.47Å; N53-V57 PolarHBondContact O-N 3.29Å
54D89.1Confident89.4Confident2 Ų242 Ų421%0.01125%0.247CC..Hα-helixtrans-66-38.2-179.8-72.28.7000111.1K12 I42 Y48 N51 V57 V58K12-D54 WeakPolarHBondContact CD-OD1 3.37Å; K12-D54 WeakPolarHBondContact CE-OD2 3.18Å; K12-D54 IonicContact NZ-OD1 2.64Å; K12-D54 IonicContact NZ-OD2 2.72Å; K12-D54 PolarHBondContact NZ-OD2 3.42Å; I42-D54 HydrophobicContact CG2-CB 3.89Å; Y48-D54 HydrophobicContact CD2-CB 4.02Å; Y48-D54 HydrophobicContact CE2-CB 4.26Å; N51-D54 HydrophobicContact CB-CB 4.25Å; N51-D54 VanDerWaalsContact ND2-CG 3.28Å; N51-D54 PolarHBondContact ND2-OD2 3.16Å; N51-D54 VanDerWaalsContact ND2-OD2 3.17Å; N51-D54 PolarHBondContact O-N 3.03Å; N51-D54 PolarHBondContact OD1-N 3.19Å; N51-D54 VanDerWaalsContact OD1-N 3.14Å; D54-V57 PolarHBondContact O-N 3.26Å; D54-V58 WeakPolarHBondContact O-CB 3.3Å; D54-V58 VanDerWaalsContact O-CG2 3.31Å; D54-V58 WeakPolarHBondContact O-CG2 3.43Å; D54-V58 PolarHBondContact O-N 3.17Å
55Q90.1Very high89.5Confident29 Ų2939.7 Ų39.714%0.13623%0.231CC..Hα-helixtrans-60-46.6173.4-70.1178.242.400112.1Y48 Q49 N51 N53 V58 E59 P104Y48-Q55 HydrophobicContact CD2-CG 4.34Å; Y48-Q55 HydrophobicContact CE1-CG 4.28Å; Y48-Q55 HydrophobicContact CE2-CB 4.42Å; Y48-Q55 HydrophobicContact CE2-CG 3.88Å; Y48-Q55 WeakPolarHBondContact O-CG 3.37Å; Y48-Q55 PolarHBondContact O-NE2 3.4Å; Q49-Q55 VanDerWaalsContact C-NE2 3.34Å; Q49-Q55 PolarHBondContact O-NE2 3.5Å; N51-Q55 WeakPolarHBondContact O-CG 3.39Å; N51-Q55 PolarHBondContact O-N 3.45Å; N51-Q55 VanDerWaalsContact O-N 3.11Å; N53-Q55 VanDerWaalsContact C-N 3.33Å; N53-Q55 PolarHBondContact O-N 2.82Å; Q55-V58 PolarHBondContact O-N 3.41Å; Q55-E59 WeakPolarHBondContact O-CB 3.41Å; Q55-E59 PolarHBondContact O-N 3.43Å; Q55-P104 HydrophobicContact CG-CB 4.11Å; Q55-P104 HydrophobicContact CG-CG 4.26Å
56A88.1Confident89.6Confident27 Ų2739 Ų3922%0.22323%0.226CC..Hα-helixtrans-65.2-41.7178.700000112L14 D52 N53 E59 I60L14-A56 HydrophobicContact CD1-CB 3.82Å; L14-A56 HydrophobicContact CD2-CB 4.15Å; D52-A56 WeakPolarHBondContact O-CB 3.42Å; D52-A56 PolarHBondContact O-N 2.98Å; N53-A56 PolarHBondContact O-N 3.2Å; A56-E59 PolarHBondContact O-N 3.3Å; A56-I60 WeakPolarHBondContact O-CB 3.28Å; A56-I60 WeakPolarHBondContact O-CD1 3.27Å; A56-I60 WeakPolarHBondContact O-CG1 3.39Å; A56-I60 PolarHBondContact O-N 2.89Å
57V89.3Confident89.8Confident0 Ų034.9 Ų34.90%019%0.189CC..Hα-helixtrans-59.4-48.6175.5164.50000110.7V8 L9 L14 N53 D54 I60 C61V8-V57 HydrophobicContact CG1-CG1 3.93Å; V8-V57 VanDerWaalsContact O-CG1 3.3Å; V8-V57 WeakPolarHBondContact O-CG1 3.36Å; L9-V57 HydrophobicContact CD2-CG1 4.02Å; L14-V57 HydrophobicContact CB-CG2 4.05Å; L14-V57 HydrophobicContact CD1-CG2 4.03Å; N53-V57 WeakPolarHBondContact O-CG2 3.47Å; N53-V57 PolarHBondContact O-N 3.29Å; D54-V57 PolarHBondContact O-N 3.26Å; V57-I60 PolarHBondContact O-N 2.89Å; V57-C61 WeakPolarHBondContact O-CB 3.33Å; V57-C61 PolarHBondContact O-N 3.34Å; V57-C61 PolarHBondContact O-SG 3.27Å
58V92.7Very high89.9Confident0 Ų031.7 Ų31.70%017%0.172CC..Hα-helixtrans-62.2-47.2178.91650000111.3I39 I42 Y48 D54 Q55 I60 C61 I62 I108I39-V58 HydrophobicContact CG2-CB 4.44Å; I39-V58 HydrophobicContact CG2-CG1 3.63Å; I39-V58 HydrophobicContact CG2-CG2 4.14Å; I42-V58 HydrophobicContact CB-CG2 4.21Å; I42-V58 HydrophobicContact CG2-CG2 3.81Å; Y48-V58 HydrophobicContact CE2-CB 4.26Å; Y48-V58 HydrophobicContact CE2-CG2 3.9Å; Y48-V58 WeakPolarHBondContact OH-CG1 3.33Å; D54-V58 WeakPolarHBondContact O-CB 3.3Å; D54-V58 VanDerWaalsContact O-CG2 3.31Å; D54-V58 WeakPolarHBondContact O-CG2 3.43Å; D54-V58 PolarHBondContact O-N 3.17Å; Q55-V58 PolarHBondContact O-N 3.41Å; V58-I60 PolarHBondContact O-N 2.82Å; V58-C61 PolarHBondContact O-N 3.48Å; V58-I62 HydrophobicContact CG1-CD1 3.57Å; V58-I62 HydrophobicContact CG1-CG1 4.22Å; V58-I62 WeakPolarHBondContact O-CB 3.27Å; V58-I62 VanDerWaalsContact O-CG1 3.31Å; V58-I62 WeakPolarHBondContact O-CG1 3.01Å; V58-I62 PolarHBondContact O-N 3.46Å; V58-I108 HydrophobicContact CG1-CD1 3.84Å; V58-I108 HydrophobicContact CG1-CG1 4.01Å
59E90.7Very high90Very high57 Ų5731.5 Ų31.527%0.26617%0.171SC..Hα-helixtrans-60.1-44.2-179.8-176.1177.4-179.800112.2Q55 A56 T63 F731Q55-E59 WeakPolarHBondContact O-CB 3.41Å; Q55-E59 PolarHBondContact O-N 3.43Å; A56-E59 PolarHBondContact O-N 3.3Å; E59-T63 WeakPolarHBondContact O-CB 2.98Å; E59-T63 PolarHBondContact O-N 3.35Å; E59-T63 PolarHBondContact O-OG1 3.29Å; E59-F731 HydrophobicContact CG-CD2 4Å; E59-F731 HydrophobicContact CG-CE2 4.01Å; E59-F731 VanDerWaalsContact OE1-CB 3.29Å; E59-F731 WeakPolarHBondContact OE1-CB 3.18Å; E59-F731 VanDerWaalsContact OE1-CD1 3.28Å; E59-F731 WeakPolarHBondContact OE1-CD1 3.41Å; E59-F731 WeakPolarHBondContact OE1-CD2 3.3Å; E59-F731 WeakPolarHBondContact OE1-CG 3.37Å
60I87.1Confident90.2Very high25 Ų2530.5 Ų30.513%0.12816%0.163CC..Hα-helixtrans-64.9-45.1177.4-67.1168.3000110.4L14 A17 F21 A56 V57 V58 T63 R64L14-I60 HydrophobicContact CD1-CD1 3.7Å; A17-I60 HydrophobicContact CB-CB 4.48Å; A17-I60 HydrophobicContact CB-CD1 3.91Å; A17-I60 HydrophobicContact CB-CG2 4.02Å; F21-I60 HydrophobicContact CE2-CG2 3.68Å; F21-I60 HydrophobicContact CZ-CG2 4.38Å; A56-I60 WeakPolarHBondContact O-CB 3.28Å; A56-I60 WeakPolarHBondContact O-CD1 3.27Å; A56-I60 WeakPolarHBondContact O-CG1 3.39Å; A56-I60 PolarHBondContact O-N 2.89Å; V57-I60 PolarHBondContact O-N 2.89Å; V58-I60 PolarHBondContact O-N 2.82Å; I60-T63 WeakPolarHBondContact O-CB 3.2Å; I60-T63 PolarHBondContact O-N 3.35Å; I60-R64 PolarHBondContact O-N 3.18Å
61C92.3Very high90.4Very high0 Ų030.1 Ų30.10%015%0.153CC..Hα-helixtrans-67-43.8-179.1-67.80000112.2F5 L9 I39 V57 V58 T63 R64 I65F5-C61 HydrophobicContact CE1-CB 4.28Å; L9-C61 HydrophobicContact CD2-CB 3.96Å; L9-C61 VanDerWaalsContact CD2-SG 3.59Å; I39-C61 HydrophobicContact CD1-CB 3.8Å; I39-C61 HydrophobicContact CG1-CB 4.33Å; V57-C61 WeakPolarHBondContact O-CB 3.33Å; V57-C61 PolarHBondContact O-N 3.34Å; V57-C61 PolarHBondContact O-SG 3.27Å; V58-C61 PolarHBondContact O-N 3.48Å; C61-T63 VanDerWaalsContact C-N 3.29Å; C61-T63 PolarHBondContact O-N 3Å; C61-R64 PolarHBondContact O-N 3.5Å; C61-I65 WeakPolarHBondContact O-CB 3.44Å; C61-I65 WeakPolarHBondContact O-CD1 3.03Å; C61-I65 WeakPolarHBondContact O-CG1 3.24Å; C61-I65 PolarHBondContact O-N 3.46Å
62I94.1Very high90.5Very high1 Ų130 Ų301%0.00515%0.153CC..Hα-helixtrans-58.2-44.2173.9-70.3172.9000110.1I39 V58 R64 I65 T66 L85 I108 D111 I112I39-I62 HydrophobicContact CD1-CG1 3.98Å; I39-I62 HydrophobicContact CG2-CD1 4.17Å; I39-I62 HydrophobicContact CG2-CG1 4.21Å; V58-I62 HydrophobicContact CG1-CD1 3.57Å; V58-I62 HydrophobicContact CG1-CG1 4.22Å; V58-I62 WeakPolarHBondContact O-CB 3.27Å; V58-I62 VanDerWaalsContact O-CG1 3.31Å; V58-I62 WeakPolarHBondContact O-CG1 3.01Å; V58-I62 PolarHBondContact O-N 3.46Å; I62-R64 VanDerWaalsContact C-N 3.33Å; I62-R64 PolarHBondContact O-N 2.69Å; I62-I65 PolarHBondContact O-N 3.05Å; I62-T66 HydrophobicContact CG2-CG2 4.06Å; I62-T66 WeakPolarHBondContact O-CB 3.4Å; I62-T66 VanDerWaalsContact O-CG2 3.28Å; I62-T66 WeakPolarHBondContact O-CG2 2.97Å; I62-T66 PolarHBondContact O-N 3.41Å; I62-T66 PolarHBondContact O-OG1 3.43Å; I62-L85 HydrophobicContact CD1-CD2 4.45Å; I62-I108 HydrophobicContact CD1-CB 4.13Å; I62-I108 HydrophobicContact CD1-CG1 3.76Å; I62-I108 HydrophobicContact CD1-CG2 3.78Å; I62-D111 HydrophobicContact CG2-CB 3.84Å; I62-I112 HydrophobicContact CG2-CD1 4.05Å
63T90.7Very high90.6Very high17 Ų1731 Ų3110%0.10415%0.154CC..Hα-helixtrans-61.3-41.6178-61.10000112.1F21 E59 I60 C61 T66 T67 K730 F731F21-T63 HydrophobicContact CE1-CG2 4.39Å; F21-T63 HydrophobicContact CZ-CG2 4.23Å; E59-T63 WeakPolarHBondContact O-CB 2.98Å; E59-T63 PolarHBondContact O-N 3.35Å; E59-T63 PolarHBondContact O-OG1 3.29Å; I60-T63 WeakPolarHBondContact O-CB 3.2Å; I60-T63 PolarHBondContact O-N 3.35Å; C61-T63 VanDerWaalsContact C-N 3.29Å; C61-T63 PolarHBondContact O-N 3Å; T63-T66 PolarHBondContact O-OG1 3.02Å; T63-T67 VanDerWaalsContact O-CB 3.28Å; T63-T67 WeakPolarHBondContact O-CB 3.39Å; T63-T67 PolarHBondContact O-N 3.36Å; T63-T67 VanDerWaalsContact O-N 3.15Å; T63-T67 PolarHBondContact O-OG1 2.92Å; T63-K730 HydrophobicContact CG2-CD 4.42Å; T63-F731 WeakPolarHBondContact OG1-CE2 2.98Å
64R92.1Very high90.7Very high10 Ų1028.4 Ų28.44%0.03814%0.141CC..Hα-helixtrans-67.5-47.2177.2-174.471-168.6110.7-3.9111.3F5 L20 F21 L23 D25 I28 I60 C61 I62 T67 A68F5-R64 HydrophobicContact CZ-CB 4.44Å; F5-R64 HydrophobicContact CZ-CG 4.09Å; L20-R64 HydrophobicContact CB-CG 4.19Å; L20-R64 VanDerWaalsContact O-CD 3.31Å; L20-R64 WeakPolarHBondContact O-CD 3.43Å; L20-R64 PolarHBondContact O-NE 3.03Å; F21-R64 HydrophobicContact CE1-CB 4.38Å; F21-R64 HydrophobicContact CE2-CB 4.03Å; F21-R64 HydrophobicContact CZ-CB 3.85Å; L23-R64 PolarHBondContact O-NH2 2.94Å; D25-R64 IonicContact OD1-CZ 3.94Å; D25-R64 IonicContact OD1-NH1 2.67Å; D25-R64 PolarHBondContact OD1-NH1 3.32Å; D25-R64 IonicContact OD1-NH2 3.79Å; D25-R64 PolarHBondContact OD1-NH2 3.07Å; I28-R64 HydrophobicContact CD1-CG 3.99Å; I60-R64 PolarHBondContact O-N 3.18Å; C61-R64 PolarHBondContact O-N 3.5Å; I62-R64 VanDerWaalsContact C-N 3.33Å; I62-R64 PolarHBondContact O-N 2.69Å; R64-T67 WeakPolarHBondContact O-CB 3.18Å; R64-T67 PolarHBondContact O-N 2.91Å; R64-A68 PolarHBondContact O-N 3.01Å
65I94Very high90.8Very high0 Ų028.4 Ų28.40%014%0.141CC..Hα-helixtrans-61.3-52-179.1-68.2162.9000110.6F5 L32 A35 L36 I39 C61 I62 T67 A68 I69F5-I65 HydrophobicContact CE1-CD1 4.29Å; F5-I65 HydrophobicContact CE1-CG1 4.05Å; F5-I65 HydrophobicContact CZ-CG1 3.89Å; L32-I65 HydrophobicContact CB-CG2 4.18Å; L32-I65 HydrophobicContact CD2-CB 4.38Å; L32-I65 HydrophobicContact CD2-CG1 4.02Å; L32-I65 HydrophobicContact CD2-CG2 4.29Å; A35-I65 HydrophobicContact CB-CD1 3.74Å; A35-I65 HydrophobicContact CB-CG1 4.4Å; L36-I65 HydrophobicContact CD1-CG2 4.13Å; L36-I65 HydrophobicContact CD2-CD1 4.13Å; L36-I65 HydrophobicContact CD2-CG2 4.01Å; L36-I65 HydrophobicContact CG-CD1 4.18Å; L36-I65 HydrophobicContact CG-CG2 4Å; I39-I65 HydrophobicContact CD1-CD1 3.42Å; I39-I65 VanDerWaalsContact CD1-CD1 3.42Å; C61-I65 WeakPolarHBondContact O-CB 3.44Å; C61-I65 WeakPolarHBondContact O-CD1 3.03Å; C61-I65 WeakPolarHBondContact O-CG1 3.24Å; C61-I65 PolarHBondContact O-N 3.46Å; I62-I65 PolarHBondContact O-N 3.05Å; I65-T67 PolarHBondContact O-N 3.23Å; I65-A68 PolarHBondContact O-N 3.33Å; I65-A68 VanDerWaalsContact O-N 3.16Å; I65-I69 HydrophobicContact CG2-CD1 3.81Å; I65-I69 HydrophobicContact CG2-CG1 4.36Å; I65-I69 WeakPolarHBondContact O-CG1 3.49Å; I65-I69 PolarHBondContact O-N 2.88Å
66T92.7Very high90.9Very high19 Ų1931.9 Ų31.912%0.11716%0.157CC..Hα-helixtrans-63.6-27.3179.255.60000112.8I62 T63 R70 C115I62-T66 HydrophobicContact CG2-CG2 4.06Å; I62-T66 WeakPolarHBondContact O-CB 3.4Å; I62-T66 VanDerWaalsContact O-CG2 3.28Å; I62-T66 WeakPolarHBondContact O-CG2 2.97Å; I62-T66 PolarHBondContact O-N 3.41Å; I62-T66 PolarHBondContact O-OG1 3.43Å; T63-T66 PolarHBondContact O-OG1 3.02Å; T66-R70 WeakPolarHBondContact O-CB 3.37Å; T66-R70 PolarHBondContact O-N 3.41Å; T66-C115 HydrophobicContact CG2-CB 3.75Å
67T90.3Very high91.1Very high21 Ų2137.6 Ų37.613%0.12918%0.177CC..Hα-helixtrans-70.7-51.6171.1-650000111.2T63 R64 I65 I69 R70 E71T63-T67 VanDerWaalsContact O-CB 3.28Å; T63-T67 WeakPolarHBondContact O-CB 3.39Å; T63-T67 PolarHBondContact O-N 3.36Å; T63-T67 VanDerWaalsContact O-N 3.15Å; T63-T67 PolarHBondContact O-OG1 2.92Å; R64-T67 WeakPolarHBondContact O-CB 3.18Å; R64-T67 PolarHBondContact O-N 2.91Å; I65-T67 PolarHBondContact O-N 3.23Å; T67-I69 PolarHBondContact O-N 3.2Å; T67-R70 WeakPolarHBondContact O-CB 3.38Å; T67-R70 PolarHBondContact O-N 3.47Å; T67-R70 VanDerWaalsContact O-N 3.08Å; T67-R70 PolarHBondContact OG1-NH2 3.09Å; T67-E71 HydrophobicContact CG2-CG 4.27Å; T67-E71 WeakPolarHBondContact O-CG 3.29Å; T67-E71 PolarHBondContact O-N 3.29Å
68A89.7Confident91.3Very high0 Ų038 Ų380%018%0.179CC..Hα-helixtrans-56.9-48178.700000111.5D25 I28 L32 R64 I65 R70 E71 T72D25-A68 HydrophobicContact CB-CB 4.41Å; I28-A68 HydrophobicContact CD1-CB 3.81Å; I28-A68 HydrophobicContact CG1-CB 4.09Å; L32-A68 HydrophobicContact CD1-CB 3.82Å; L32-A68 HydrophobicContact CD2-CB 4.17Å; R64-A68 PolarHBondContact O-N 3.01Å; I65-A68 PolarHBondContact O-N 3.33Å; I65-A68 VanDerWaalsContact O-N 3.16Å; A68-R70 PolarHBondContact O-N 3.42Å; A68-E71 PolarHBondContact O-N 3.16Å; A68-T72 PolarHBondContact O-N 3.06Å; A68-T72 PolarHBondContact O-OG1 3.45Å
69I91.7Very high91.3Very high1 Ų138 Ų381%0.00518%0.179CC..Hα-helixtrans-55.2-38.7177.2-67.8177.2000112.3L32 I65 T67 E73 S74 I75 H78 L82L32-I69 HydrophobicContact CD1-CD1 4.48Å; L32-I69 HydrophobicContact CD1-CG1 3.62Å; I65-I69 HydrophobicContact CG2-CD1 3.81Å; I65-I69 HydrophobicContact CG2-CG1 4.36Å; I65-I69 WeakPolarHBondContact O-CG1 3.49Å; I65-I69 PolarHBondContact O-N 2.88Å; T67-I69 PolarHBondContact O-N 3.2Å; I69-E73 WeakPolarHBondContact O-CA 3.48Å; I69-E73 PolarHBondContact O-N 2.93Å; I69-E73 VanDerWaalsContact O-N 3.12Å; I69-S74 PolarHBondContact O-N 3.41Å; I69-S74 VanDerWaalsContact O-N 3.09Å; I69-I75 HydrophobicContact CG2-CB 3.86Å; I69-I75 HydrophobicContact CG2-CD1 3.73Å; I69-I75 HydrophobicContact CG2-CG1 4.41Å; I69-H78 HydrophobicContact CD1-CB 3.82Å; I69-H78 HydrophobicContact CG1-CB 4.43Å; I69-L82 HydrophobicContact CD1-CD1 3.75Å; I69-L82 HydrophobicContact CD1-CD2 4.21Å; I69-L82 HydrophobicContact CD1-CG 4.16Å
70R89.8Confident91.4Very high91 Ų9143 Ų4334%0.34320%0.2SC..Hα-helixtrans-72.1-46.9179.8-179.4-175.761-101-6.6111.4T66 T67 A68 E73T66-R70 WeakPolarHBondContact O-CB 3.37Å; T66-R70 PolarHBondContact O-N 3.41Å; T67-R70 WeakPolarHBondContact O-CB 3.38Å; T67-R70 PolarHBondContact O-N 3.47Å; T67-R70 VanDerWaalsContact O-N 3.08Å; T67-R70 PolarHBondContact OG1-NH2 3.09Å; A68-R70 PolarHBondContact O-N 3.42Å; R70-E73 PolarHBondContact O-N 2.89Å
71E90.4Very high91.8Very high108 Ų10842.6 Ų42.651%0.50520%0.2SC..Hα-helixtrans-71.6-30.2-177.6-55.3-48139.700112.2D25 T67 A68D25-E71 HydrophobicContact CB-CB 4.34Å; T67-E71 HydrophobicContact CG2-CG 4.27Å; T67-E71 WeakPolarHBondContact O-CG 3.29Å; T67-E71 PolarHBondContact O-N 3.29Å; A68-E71 PolarHBondContact O-N 3.16Å
72T89.4Confident91.9Very high35 Ų3542.6 Ų42.622%0.21520%0.2CC..THydrogen-bonded Turntrans-91.80.6175.762.30000113.7D25 A68 S74D25-T72 HydrophobicContact CB-CG2 3.84Å; A68-T72 PolarHBondContact O-N 3.06Å; A68-T72 PolarHBondContact O-OG1 3.45Å; T72-S74 PolarHBondContact O-N 3.32Å; T72-S74 WeakPolarHBondContact OG1-CB 3.33Å; T72-S74 PolarHBondContact OG1-OG 3.09Å
73E89.2Confident91.9Very high148 Ų14843 Ų4369%0.69220%0.203SC*.THydrogen-bonded Turntrans48.632.1-174.6-58.5-169.9173.200114.3I69 R70 I75I69-E73 WeakPolarHBondContact O-CA 3.48Å; I69-E73 PolarHBondContact O-N 2.93Å; I69-E73 VanDerWaalsContact O-N 3.12Å; R70-E73 PolarHBondContact O-N 2.89Å; E73-I75 PolarHBondContact O-N 3.46Å
74S91.8Very high92.1Very high5 Ų543.5 Ų43.54%0.03521%0.208CC..  trans-97.220.6-167.764.50000114.5E29 I69 T72 E76 K77 H78E29-S74 VanDerWaalsContact OE1-CB 3.28Å; E29-S74 WeakPolarHBondContact OE1-CB 3.42Å; I69-S74 PolarHBondContact O-N 3.41Å; I69-S74 VanDerWaalsContact O-N 3.09Å; T72-S74 PolarHBondContact O-N 3.32Å; T72-S74 WeakPolarHBondContact OG1-CB 3.33Å; T72-S74 PolarHBondContact OG1-OG 3.09Å; S74-E76 PolarHBondContact O-N 3.39Å; S74-E76 VanDerWaalsContact O-N 3.12Å; S74-K77 WeakPolarHBondContact O-CB 3.49Å; S74-K77 PolarHBondContact O-N 3.1Å; S74-H78 PolarHBondContact O-CD2 3.34Å; S74-H78 PolarHBondContact O-N 3.31Å; S74-H78 PolarHBondContact OG-CD2 2.62Å
75I91.6Very high92.3Very high3 Ų343 Ų432%0.01521%0.207CC..Hα-helixtrans-55-35.5-174.4-171.965.6000113.5I69 E73 K77 H78 G79 L82 N119 R122 V125I69-I75 HydrophobicContact CG2-CB 3.86Å; I69-I75 HydrophobicContact CG2-CD1 3.73Å; I69-I75 HydrophobicContact CG2-CG1 4.41Å; E73-I75 PolarHBondContact O-N 3.46Å; I75-K77 VanDerWaalsContact C-N 3.3Å; I75-K77 PolarHBondContact O-N 3.49Å; I75-H78 PolarHBondContact O-N 3.22Å; I75-G79 VanDerWaalsContact O-CA 3.31Å; I75-G79 WeakPolarHBondContact O-CA 3.29Å; I75-G79 PolarHBondContact O-N 3.25Å; I75-L82 HydrophobicContact CD1-CD1 3.34Å; I75-N119 HydrophobicContact CB-CB 4.46Å; I75-N119 HydrophobicContact CG1-CB 4.03Å; I75-N119 HydrophobicContact CG2-CB 4.04Å; I75-R122 HydrophobicContact CG2-CG 4.36Å; I75-V125 HydrophobicContact CG1-CG1 4.16Å; I75-V125 HydrophobicContact CG1-CG2 4.12Å; I75-V125 HydrophobicContact CG2-CG2 4.35Å
76E90.9Very high92.3Very high102 Ų10243 Ų4348%0.47721%0.207SC..Hα-helixtrans-67-31.7-179.7-67.2-177.6173.100112.3S74 R122 V125S74-E76 PolarHBondContact O-N 3.39Å; S74-E76 VanDerWaalsContact O-N 3.12Å; E76-R122 WeakPolarHBondContact OE1-CD 3.43Å; E76-R122 IonicContact OE1-NH1 3.8Å; E76-V125 HydrophobicContact CG-CG2 4Å
77K92.3Very high92.3Very high146 Ų14645.6 Ų45.664%0.63522%0.217SC*.Hα-helixtrans-72.1-37177.7-61-177.2-172.5169.20111.9E29 S74 I75E29-K77 WeakPolarHBondContact OE1-CD 3.36Å; E29-K77 IonicContact OE1-NZ 2.62Å; E29-K77 PolarHBondContact OE1-NZ 3.14Å; S74-K77 WeakPolarHBondContact O-CB 3.49Å; S74-K77 PolarHBondContact O-N 3.1Å; I75-K77 VanDerWaalsContact C-N 3.3Å; I75-K77 PolarHBondContact O-N 3.49Å
78H94.1Very high92.4Very high9 Ų944.9 Ų44.94%0.04221%0.213CC..Hα-helixtrans-104.4-3.5-172.9-55.5-63000113.9E29 S33 I69 S74 I75 K80 A81 L82E29-H78 PolarHBondContact O-CE1 3.36Å; E29-H78 PolarHBondContact O-NE2 3.41Å; S33-H78 PolarHBondContact OG-ND1 2.91Å; I69-H78 HydrophobicContact CD1-CB 3.82Å; I69-H78 HydrophobicContact CG1-CB 4.43Å; S74-H78 PolarHBondContact O-CD2 3.34Å; S74-H78 PolarHBondContact O-N 3.31Å; S74-H78 PolarHBondContact OG-CD2 2.62Å; I75-H78 PolarHBondContact O-N 3.22Å; H78-K80 VanDerWaalsContact C-N 3.3Å; H78-K80 PolarHBondContact O-N 3.14Å; H78-A81 PolarHBondContact O-N 3.26Å; H78-A81 VanDerWaalsContact O-N 3.1Å; H78-L82 PolarHBondContact O-N 2.98Å
79G91.8Very high92.5Very high1 Ų144.9 Ų44.91%0.0121%0.213CC..Hα-helixtrans-56.9-38.3-174.800000113.8I75 L82 V83I75-G79 VanDerWaalsContact O-CA 3.31Å; I75-G79 WeakPolarHBondContact O-CA 3.29Å; I75-G79 PolarHBondContact O-N 3.25Å; G79-L82 PolarHBondContact O-N 3.06Å; G79-V83 WeakPolarHBondContact O-CB 3.42Å; G79-V83 VanDerWaalsContact O-CG2 3.26Å; G79-V83 WeakPolarHBondContact O-CG2 3.36Å; G79-V83 PolarHBondContact O-N 3.16Å
80K93.9Very high92.3Very high160 Ų16045.3 Ų45.370%0.69622%0.215SC*.Hα-helixtrans-61.4-46176.2-69.5-177.3-178.7179.50112.5H78 A84 L128H78-K80 VanDerWaalsContact C-N 3.3Å; H78-K80 PolarHBondContact O-N 3.14Å; K80-A84 VanDerWaalsContact O-CB 3.3Å; K80-A84 WeakPolarHBondContact O-CB 3.42Å; K80-A84 PolarHBondContact O-N 2.9Å; K80-L128 HydrophobicContact CG-CD1 3.68Å
81A94.8Very high92.2Very high18 Ų1848.1 Ų48.115%0.14923%0.233CC..Hα-helixtrans-69-39.5-179.900000111.6L36 H78 A84 L85L36-A81 HydrophobicContact CB-CB 4.04Å; L36-A81 HydrophobicContact CD1-CB 3.83Å; H78-A81 PolarHBondContact O-N 3.26Å; H78-A81 VanDerWaalsContact O-N 3.1Å; A81-A84 PolarHBondContact O-N 3.2Å; A81-L85 PolarHBondContact O-N 3.4Å
82L95.1Very high92.1Very high0 Ų045 Ų450%022%0.218CC..Hα-helixtrans-60.8-49.3174.3-75.6172.8000111.6L36 I69 I75 H78 G79 A84 L85 W86 I112L36-L82 HydrophobicContact CD1-CB 4.5Å; L36-L82 HydrophobicContact CD1-CD2 3.61Å; L36-L82 HydrophobicContact CD1-CG 3.71Å; L36-L82 HydrophobicContact CD2-CD2 3.77Å; L36-L82 HydrophobicContact CG-CD2 4.36Å; I69-L82 HydrophobicContact CD1-CD1 3.75Å; I69-L82 HydrophobicContact CD1-CD2 4.21Å; I69-L82 HydrophobicContact CD1-CG 4.16Å; I75-L82 HydrophobicContact CD1-CD1 3.34Å; H78-L82 PolarHBondContact O-N 2.98Å; G79-L82 PolarHBondContact O-N 3.06Å; L82-A84 VanDerWaalsContact C-N 3.31Å; L82-A84 PolarHBondContact O-N 3.29Å; L82-L85 PolarHBondContact O-N 3.08Å; L82-W86 WeakPolarHBondContact O-CB 3.38Å; L82-W86 PolarHBondContact O-N 3.42Å; L82-I112 HydrophobicContact CB-CG2 4.27Å; L82-I112 HydrophobicContact CD2-CD1 3.66Å; L82-I112 HydrophobicContact CD2-CG2 4.29Å
83V94.6Very high91.6Very high10 Ų1047.9 Ų47.96%0.06123%0.232CC..Hα-helixtrans-65.2-36.5179.5172.70000111G79 W86 E87 I116 L128 A129 V132G79-V83 WeakPolarHBondContact O-CB 3.42Å; G79-V83 VanDerWaalsContact O-CG2 3.26Å; G79-V83 WeakPolarHBondContact O-CG2 3.36Å; G79-V83 PolarHBondContact O-N 3.16Å; V83-W86 WeakPolarHBondContact O-CB 3.38Å; V83-W86 PolarHBondContact O-N 2.81Å; V83-E87 WeakPolarHBondContact O-CB 3.35Å; V83-E87 PolarHBondContact O-N 3.41Å; V83-I116 HydrophobicContact CG2-CD1 4.04Å; V83-L128 HydrophobicContact CB-CB 4.47Å; V83-L128 HydrophobicContact CG1-CB 4.37Å; V83-L128 WeakPolarHBondContact CG1-O 3.29Å; V83-L128 HydrophobicContact CG2-CB 3.99Å; V83-A129 HydrophobicContact CG2-CB 4.2Å; V83-V132 HydrophobicContact CG1-CB 4.43Å; V83-V132 HydrophobicContact CG1-CG2 3.64Å
84A94.6Very high91.3Very high26 Ų2641.1 Ų41.122%0.21520%0.201CC..Hα-helixtrans-65.5-41.6176.200000113.1K80 A81 L82 W86 E87 S88K80-A84 VanDerWaalsContact O-CB 3.3Å; K80-A84 WeakPolarHBondContact O-CB 3.42Å; K80-A84 PolarHBondContact O-N 2.9Å; A81-A84 PolarHBondContact O-N 3.2Å; L82-A84 VanDerWaalsContact C-N 3.31Å; L82-A84 PolarHBondContact O-N 3.29Å; A84-W86 VanDerWaalsContact C-N 3.32Å; A84-E87 PolarHBondContact O-N 3.16Å; A84-S88 PolarHBondContact O-N 2.84Å; A84-S88 VanDerWaalsContact O-N 3.1Å
85L95.2Very high90.7Very high0 Ų046.4 Ų46.40%022%0.223CC..Hα-helixtrans-66.3-37.2172.3174.761.4000111.6L36 I39 R40 I62 A81 L82 S88 C89 I108 I112L36-L85 HydrophobicContact CD2-CD2 3.7Å; I39-L85 HydrophobicContact CB-CD2 4.34Å; I39-L85 HydrophobicContact CG2-CD1 3.9Å; I39-L85 HydrophobicContact CG2-CD2 3.72Å; I39-L85 HydrophobicContact CG2-CG 4.49Å; R40-L85 HydrophobicContact CB-CD1 3.91Å; R40-L85 HydrophobicContact CG-CD1 4.39Å; I62-L85 HydrophobicContact CD1-CD2 4.45Å; A81-L85 PolarHBondContact O-N 3.4Å; L82-L85 PolarHBondContact O-N 3.08Å; L85-S88 PolarHBondContact O-OG 3.01Å; L85-C89 PolarHBondContact O-SG 3.03Å; L85-C89 VanDerWaalsContact O-SG 3.38Å; L85-I108 HydrophobicContact CD1-CG2 4.32Å; L85-I108 HydrophobicContact CD2-CG2 4.32Å; L85-I108 HydrophobicContact CG-CG2 4.14Å; L85-I112 HydrophobicContact CD2-CD1 3.92Å; L85-I112 HydrophobicContact CD2-CG1 4.24Å
86W93.8Very high89.8Confident0 Ų049.3 Ų49.30%024%0.242CC..Hα-helixtrans-65.4-43.4176.6-167.729.2000112L82 V83 A84 C89 A109 I112 M113 I116 A129 V132 A133 F136 M148 Y151L82-W86 WeakPolarHBondContact O-CB 3.38Å; L82-W86 PolarHBondContact O-N 3.42Å; V83-W86 WeakPolarHBondContact O-CB 3.38Å; V83-W86 PolarHBondContact O-N 2.81Å; A84-W86 VanDerWaalsContact C-N 3.32Å; W86-C89 WeakPolarHBondContact O-CB 3.27Å; W86-C89 PolarHBondContact O-N 3.1Å; W86-A109 PolarHBondContact NE1-O 3.15Å; W86-I112 HydrophobicContact CB-CG2 3.82Å; W86-I112 HydrophobicContact CG-CG2 4.15Å; W86-M113 HydrophobicContact CH2-CG 4.49Å; W86-M113 HydrophobicContact CZ2-CB 3.72Å; W86-M113 HydrophobicContact CZ2-CG 3.85Å; W86-I116 HydrophobicContact CD2-CD1 4.38Å; W86-I116 HydrophobicContact CE3-CD1 3.82Å; W86-I116 HydrophobicContact CZ3-CD1 4.1Å; W86-A129 HydrophobicContact CZ3-CB 4.05Å; W86-A129 WeakPolarHBondContact CZ3-O 3.49Å; W86-V132 HydrophobicContact CD2-CG1 3.79Å; W86-V132 HydrophobicContact CE3-CB 3.89Å; W86-V132 HydrophobicContact CE3-CG1 3.54Å; W86-V132 HydrophobicContact CG-CG1 4.21Å; W86-V132 HydrophobicContact CZ3-CB 4.12Å; W86-V132 HydrophobicContact CZ3-CG1 4.13Å; W86-A133 HydrophobicContact CH2-CB 3.77Å; W86-A133 HydrophobicContact CZ3-CB 4.25Å; W86-F136 AromaticContact CD1-CE2 3.46Å; W86-F136 VanDerWaalsContact CD1-CE2 3.46Å; W86-F136 AromaticContact CD1-CZ 3.52Å; W86-F136 HydrophobicContact CD2-CD2 4.46Å; W86-F136 AromaticContact CD2-CE2 3.97Å; W86-F136 HydrophobicContact CD2-CE2 3.97Å; W86-F136 AromaticContact CE2-CD2 3.94Å; W86-F136 AromaticContact CE2-CE2 3.69Å; W86-F136 AromaticContact CG-CE2 3.9Å; W86-F136 HydrophobicContact CG-CE2 3.9Å; W86-F136 HydrophobicContact CG-CZ 4.33Å; W86-F136 HydrophobicContact CZ2-CD2 4.29Å; W86-F136 HydrophobicContact CZ2-CE2 4.47Å; W86-F136 AromaticContact NE1-CD2 3.88Å; W86-F136 AromaticContact NE1-CE2 3.32Å; W86-F136 VanDerWaalsContact NE1-CE2 3.32Å; W86-F136 AromaticContact NE1-CZ 3.51Å; W86-F136 WeakPolarHBondContact O-CE2 3.37Å; W86-F136 VanDerWaalsContact O-CZ 3.29Å; W86-F136 WeakPolarHBondContact O-CZ 3.38Å; W86-M148 HydrophobicContact CH2-CE 3.93Å; W86-M148 HydrophobicContact CH2-SD 3.61Å; W86-M148 HydrophobicContact CZ2-CE 3.2Å; W86-M148 HydrophobicContact CZ2-SD 3.49Å; W86-M148 WeakPolarHBondContact CZ2-SD 3.33Å; W86-Y151 HydrophobicContact CH2-CE1 4.39Å
87E92.9Very high88.4Confident73 Ų7349.8 Ų49.834%0.34126%0.257SS..Hα-helixtrans-65-38.1178.1-175.2164.8-144.400112V83 A84 C89 L90 V132 K135V83-E87 WeakPolarHBondContact O-CB 3.35Å; V83-E87 PolarHBondContact O-N 3.41Å; A84-E87 PolarHBondContact O-N 3.16Å; E87-C89 PolarHBondContact O-N 3.39Å; E87-L90 HydrophobicContact CG-CD1 4.3Å; E87-L90 WeakPolarHBondContact O-CB 3.24Å; E87-L90 PolarHBondContact O-N 3.48Å; E87-V132 HydrophobicContact CB-CG1 4.07Å; E87-V132 HydrophobicContact CB-CG2 4.06Å; E87-V132 HydrophobicContact CG-CG2 4.34Å; E87-K135 IonicContact OE1-NZ 2.75Å; E87-K135 PolarHBondContact OE1-NZ 2.86Å
88S93.6Very high86.9Confident7 Ų745 Ų455%0.04925%0.249CC..Hα-helixtrans-61.4-28178.373.10000112.7A84 L85 L90 E91 H92A84-S88 PolarHBondContact O-N 2.84Å; A84-S88 VanDerWaalsContact O-N 3.1Å; L85-S88 PolarHBondContact O-OG 3.01Å; S88-L90 PolarHBondContact O-N 3.29Å; S88-L90 VanDerWaalsContact O-N 3.16Å; S88-E91 WeakPolarHBondContact O-CB 3.4Å; S88-E91 PolarHBondContact O-N 3.48Å; S88-E91 VanDerWaalsContact O-N 3.07Å; S88-H92 PolarHBondContact O-CD2 2.75Å
89C91.1Very high84.8Confident0 Ų056.3 Ų56.30%029%0.291CS..G310 helixtrans-62.9-21.2175.2-65.20000112.7L85 W86 E87 E91 H92 L94 H105 I108 A109 F136L85-C89 PolarHBondContact O-SG 3.03Å; L85-C89 VanDerWaalsContact O-SG 3.38Å; W86-C89 WeakPolarHBondContact O-CB 3.27Å; W86-C89 PolarHBondContact O-N 3.1Å; E87-C89 PolarHBondContact O-N 3.39Å; C89-E91 VanDerWaalsContact C-N 3.25Å; C89-E91 PolarHBondContact O-N 3.43Å; C89-H92 PolarHBondContact O-N 3.22Å; C89-L94 HydrophobicContact CB-CD2 4.48Å; C89-L94 WeakPolarHBondContact O-CD2 3.32Å; C89-H105 HydrophobicContact CB-CB 4.39Å; C89-I108 VanDerWaalsContact SG-CG2 3.5Å; C89-A109 HydrophobicContact CB-CB 4.18Å; C89-F136 HydrophobicContact CB-CZ 4.12Å
90L88.2Confident83.1Confident9 Ų964.1 Ų64.15%0.04733%0.333CS..G310 helixtrans-72.1-16.2175.6-65.8168.3000113.6E87 S88 L94 V132 K135 F136 R139E87-L90 HydrophobicContact CG-CD1 4.3Å; E87-L90 WeakPolarHBondContact O-CB 3.24Å; E87-L90 PolarHBondContact O-N 3.48Å; S88-L90 PolarHBondContact O-N 3.29Å; S88-L90 VanDerWaalsContact O-N 3.16Å; L90-L94 HydrophobicContact CD2-CD1 4.3Å; L90-V132 HydrophobicContact CD1-CG1 4.19Å; L90-K135 HydrophobicContact CD1-CB 3.61Å; L90-K135 HydrophobicContact CD1-CD 3.93Å; L90-K135 HydrophobicContact CD1-CG 4.43Å; L90-K135 HydrophobicContact CD2-CB 4.42Å; L90-F136 HydrophobicContact CD1-CD2 4.16Å; L90-F136 HydrophobicContact CD1-CE2 3.99Å; L90-F136 HydrophobicContact CD2-CB 4.36Å; L90-F136 HydrophobicContact CD2-CD1 3.69Å; L90-F136 HydrophobicContact CD2-CD2 3.63Å; L90-F136 HydrophobicContact CD2-CE1 3.77Å; L90-F136 HydrophobicContact CD2-CE2 3.67Å; L90-F136 HydrophobicContact CD2-CG 3.62Å; L90-F136 HydrophobicContact CD2-CZ 3.74Å; L90-F136 HydrophobicContact CG-CD2 4.01Å; L90-F136 HydrophobicContact CG-CE1 4.29Å; L90-F136 HydrophobicContact CG-CE2 3.61Å; L90-F136 HydrophobicContact CG-CG 4.47Å; L90-F136 HydrophobicContact CG-CZ 3.77Å; L90-R139 HydrophobicContact CD2-CG 3.79Å; L90-R139 PolarHBondContact O-NH2 3.44Å
91E87.6Confident81.9Confident150 Ų15063.5 Ų63.570%0.70133%0.332SS*.G310 helixtrans-77.4-15.7177-59.5-179.8177.900111.9S88 C89S88-E91 WeakPolarHBondContact O-CB 3.4Å; S88-E91 PolarHBondContact O-N 3.48Å; S88-E91 VanDerWaalsContact O-N 3.07Å; C89-E91 VanDerWaalsContact C-N 3.25Å; C89-E91 PolarHBondContact O-N 3.43Å
92H86.7Confident81.1Confident42 Ų4265.7 Ų65.719%0.19434%0.341CS..SBendtrans-109.3166.4-176-58-75.6000112.4S88 C89 L94 H105S88-H92 PolarHBondContact O-CD2 2.75Å; C89-H92 PolarHBondContact O-N 3.22Å; H92-L94 PolarHBondContact O-N 3.21Å; H92-H105 HydrophobicContact CB-CB 4.2Å; H92-H105 AromaticContact CD2-CD2 3.2Å; H92-H105 PolarHBondContact CD2-CD2 2.82Å; H92-H105 AromaticContact CD2-CE1 3.92Å; H92-H105 AromaticContact CD2-CG 3.97Å; H92-H105 AromaticContact CD2-NE2 3.16Å; H92-H105 PolarHBondContact CD2-NE2 3.1Å; H92-H105 AromaticContact CE1-NE2 3.8Å; H92-H105 AromaticContact CG-CD2 3.53Å; H92-H105 AromaticContact CG-CE1 3.6Å; H92-H105 AromaticContact CG-CG 3.89Å; H92-H105 AromaticContact CG-ND1 3.97Å; H92-H105 AromaticContact CG-NE2 3.33Å; H92-H105 VanDerWaalsContact CG-NE2 3.33Å; H92-H105 AromaticContact ND1-CE1 3.87Å; H92-H105 AromaticContact ND1-NE2 3.74Å; H92-H105 AromaticContact NE2-CD2 3.91Å; H92-H105 AromaticContact NE2-NE2 3.47Å; H92-H105 PolarHBondContact NE2-NE2 3.31Å
93N80.9Confident80.7Confident97 Ų9766.4 Ų66.452%0.51935%0.346SS..  trans-75.1114.3178.2-171.713.9000110.7K95 T103N93-K95 WeakPolarHBondContact OD1-CB 3.49Å; N93-K95 PolarHBondContact OD1-N 3.48Å; N93-K95 VanDerWaalsContact OD1-N 3.08Å; N93-T103 WeakPolarHBondContact O-CG2 3.39Å; N93-T103 PolarHBondContact O-OG1 2.94Å; N93-T103 VanDerWaalsContact O-OG1 3.04Å
94L82.8Confident80.3Confident5 Ų566.8 Ų66.83%0.02635%0.349CS..  trans-94.4-6.2178.7-61.4172.3000112.9C89 L90 H92 H105 A106 F136 R139 N141C89-L94 HydrophobicContact CB-CD2 4.48Å; C89-L94 WeakPolarHBondContact O-CD2 3.32Å; L90-L94 HydrophobicContact CD2-CD1 4.3Å; H92-L94 PolarHBondContact O-N 3.21Å; L94-H105 HydrophobicContact CD2-CB 3.83Å; L94-A106 HydrophobicContact CD2-CB 4.29Å; L94-F136 HydrophobicContact CD1-CD1 3.76Å; L94-F136 HydrophobicContact CD1-CE1 3.39Å; L94-F136 HydrophobicContact CD1-CZ 4.4Å; L94-R139 HydrophobicContact CD1-CB 4.22Å; L94-N141 HydrophobicContact CB-CB 4.45Å; L94-N141 WeakPolarHBondContact O-CB 3.43Å; L94-N141 PolarHBondContact O-ND2 2.99Å
95K78.2Confident80.1Confident116 Ų11665.6 Ų65.650%0.50434%0.339SS..SBendtrans-72.2132.7178.9-65.9-178.2178.8178.80109.5N93 S97 T103N93-K95 WeakPolarHBondContact OD1-CB 3.49Å; N93-K95 PolarHBondContact OD1-N 3.48Å; N93-K95 VanDerWaalsContact OD1-N 3.08Å; K95-S97 PolarHBondContact O-N 2.85Å; K95-T103 VanDerWaalsContact O-CG2 3.23Å; K95-T103 WeakPolarHBondContact O-CG2 3.48Å
96P72.9Confident79.8Confident64 Ų6465.6 Ų65.642%0.41634%0.339SS..  trans-60.5135.9177.624.9-32.7000110.2E101P96-E101 WeakPolarHBondContact CB-O 3.41Å
97S61.1Low79.5Confident112 Ų11270.2 Ų70.278%0.78336%0.359SS*.SBendtrans-84.7-10.6-17847.40000113.4K95K95-S97 PolarHBondContact O-N 2.85Å
98G60.9Low79.5Confident46 Ų4667 Ų6747%0.47434%0.344SS..SBendtrans-153.3-171.1-179.500000113.9D100G98-D100 PolarHBondContact O-N 3.35Å; G98-D100 VanDerWaalsContact O-N 3.1Å
99R50.5Low79.4Confident247 Ų24766.6 Ų66.693%0.93234%0.341SS*.SBendtrans-68.4105.1172-75.7-174.5-179.3-177.90.8108.9
100D56.2Low79.3Confident165 Ų16568.5 Ų68.588%0.88235%0.354SS*.SBendtrans72.817168.6-56-26.3000118.7G98G98-D100 PolarHBondContact O-N 3.35Å; G98-D100 VanDerWaalsContact O-N 3.1Å
101E67.5Low79.3Confident146 Ų14670.3 Ų70.368%0.68236%0.364SS*.  trans-105.1113170.9-71.5-173.9177.200111.9P96P96-E101 WeakPolarHBondContact CB-O 3.41Å
102D78.6Confident79.6Confident64 Ų6463.1 Ų63.134%0.34233%0.331SS..  trans-68.4140.8171.9-78.3-39.4000110.8A106 K107 N141D102-A106 HydrophobicContact CB-CB 4.03Å; D102-K107 HydrophobicContact CB-CG 4.09Å; D102-K107 WeakPolarHBondContact O-CE 3.26Å; D102-N141 PolarHBondContact OD1-ND2 3.22Å
103T85.9Confident79.7Confident15 Ų1561.6 Ų61.69%0.09232%0.323CS..  trans-63.7155.1174.269.60000110.8N93 K95 H105 A106 K107N93-T103 WeakPolarHBondContact O-CG2 3.39Å; N93-T103 PolarHBondContact O-OG1 2.94Å; N93-T103 VanDerWaalsContact O-OG1 3.04Å; K95-T103 VanDerWaalsContact O-CG2 3.23Å; K95-T103 WeakPolarHBondContact O-CG2 3.48Å; T103-H105 PolarHBondContact O-N 2.93Å; T103-A106 WeakPolarHBondContact O-CA 3.45Å; T103-A106 WeakPolarHBondContact O-CB 3.3Å; T103-A106 PolarHBondContact O-N 3.27Å; T103-A106 WeakPolarHBondContact OG1-CB 3.3Å; T103-A106 PolarHBondContact OG1-N 3.27Å; T103-K107 PolarHBondContact O-N 3Å
104P87.2Confident80Confident19 Ų1959.4 Ų59.412%0.12332%0.316CS..Hα-helixtrans-52.9-39.8178.1-28.937.4000112.9Y48 Q55 K107 I108Y48-P104 HydrophobicContact CD1-CB 4.15Å; Y48-P104 HydrophobicContact CE1-CB 3.53Å; Q55-P104 HydrophobicContact CG-CB 4.11Å; Q55-P104 HydrophobicContact CG-CG 4.26Å; P104-K107 PolarHBondContact O-N 2.84Å; P104-I108 WeakPolarHBondContact O-CG1 3.44Å; P104-I108 PolarHBondContact O-N 2.94Å; P104-I108 VanDerWaalsContact O-N 3.14Å
105H90.5Very high80.4Confident1 Ų159.5 Ų59.51%0.00532%0.317CS..Hα-helixtrans-68.8-34174.7-59.788.7000113.6S43 Y48 C89 H92 L94 T103 K107 I108 A109S43-H105 PolarHBondContact O-NE2 3.25Å; Y48-H105 AromaticContact CD1-CE1 3.6Å; Y48-H105 AromaticContact CD1-NE2 3.77Å; C89-H105 HydrophobicContact CB-CB 4.39Å; H92-H105 HydrophobicContact CB-CB 4.2Å; H92-H105 AromaticContact CD2-CD2 3.2Å; H92-H105 PolarHBondContact CD2-CD2 2.82Å; H92-H105 AromaticContact CD2-CE1 3.92Å; H92-H105 AromaticContact CD2-CG 3.97Å; H92-H105 AromaticContact CD2-NE2 3.16Å; H92-H105 PolarHBondContact CD2-NE2 3.1Å; H92-H105 AromaticContact CE1-NE2 3.8Å; H92-H105 AromaticContact CG-CD2 3.53Å; H92-H105 AromaticContact CG-CE1 3.6Å; H92-H105 AromaticContact CG-CG 3.89Å; H92-H105 AromaticContact CG-ND1 3.97Å; H92-H105 AromaticContact CG-NE2 3.33Å; H92-H105 VanDerWaalsContact CG-NE2 3.33Å; H92-H105 AromaticContact ND1-CE1 3.87Å; H92-H105 AromaticContact ND1-NE2 3.74Å; H92-H105 AromaticContact NE2-CD2 3.91Å; H92-H105 AromaticContact NE2-NE2 3.47Å; H92-H105 PolarHBondContact NE2-NE2 3.31Å; L94-H105 HydrophobicContact CD2-CB 3.83Å; T103-H105 PolarHBondContact O-N 2.93Å; H105-K107 VanDerWaalsContact C-N 3.32Å; H105-I108 PolarHBondContact O-N 3.44Å; H105-A109 WeakPolarHBondContact O-CB 3.47Å; H105-A109 PolarHBondContact O-N 3.34Å
106A88.4Confident80.9Confident0 Ų054 Ų540%029%0.293CS..Hα-helixtrans-65.5-36.3173.500000111.9L94 D102 T103 A109 S110 L144L94-A106 HydrophobicContact CD2-CB 4.29Å; D102-A106 HydrophobicContact CB-CB 4.03Å; T103-A106 WeakPolarHBondContact O-CA 3.45Å; T103-A106 WeakPolarHBondContact O-CB 3.3Å; T103-A106 PolarHBondContact O-N 3.27Å; T103-A106 WeakPolarHBondContact OG1-CB 3.3Å; T103-A106 PolarHBondContact OG1-N 3.27Å; A106-A109 PolarHBondContact O-N 2.97Å; A106-S110 WeakPolarHBondContact O-CB 3.43Å; A106-S110 PolarHBondContact O-N 3.09Å; A106-L144 HydrophobicContact CB-CD1 3.6Å
107K88.8Confident81.4Confident96 Ų9652.5 Ų52.542%0.41728%0.281SS..Hα-helixtrans-64.9-49.2173.9-64.5175.9-175.5171.50111.8D102 T103 P104 H105 A109 S110 D111D102-K107 HydrophobicContact CB-CG 4.09Å; D102-K107 WeakPolarHBondContact O-CE 3.26Å; T103-K107 PolarHBondContact O-N 3Å; P104-K107 PolarHBondContact O-N 2.84Å; H105-K107 VanDerWaalsContact C-N 3.32Å; K107-A109 VanDerWaalsContact C-N 3.32Å; K107-A109 PolarHBondContact O-N 3.32Å; K107-S110 PolarHBondContact O-N 3.34Å; K107-D111 PolarHBondContact O-N 3.38Å
108I91.8Very high82.5Confident5 Ų552.1 Ų52.13%0.02627%0.267CS..Hα-helixtrans-54.1-51.7173.8-64.9171.6000109.9Y48 V58 I62 L85 C89 P104 H105 S110 D111 I112Y48-I108 HydrophobicContact CE1-CD1 4.03Å; V58-I108 HydrophobicContact CG1-CD1 3.84Å; V58-I108 HydrophobicContact CG1-CG1 4.01Å; I62-I108 HydrophobicContact CD1-CB 4.13Å; I62-I108 HydrophobicContact CD1-CG1 3.76Å; I62-I108 HydrophobicContact CD1-CG2 3.78Å; L85-I108 HydrophobicContact CD1-CG2 4.32Å; L85-I108 HydrophobicContact CD2-CG2 4.32Å; L85-I108 HydrophobicContact CG-CG2 4.14Å; C89-I108 VanDerWaalsContact SG-CG2 3.5Å; P104-I108 WeakPolarHBondContact O-CG1 3.44Å; P104-I108 PolarHBondContact O-N 2.94Å; P104-I108 VanDerWaalsContact O-N 3.14Å; H105-I108 PolarHBondContact O-N 3.44Å; I108-S110 VanDerWaalsContact C-N 3.28Å; I108-S110 PolarHBondContact O-N 3.16Å; I108-D111 PolarHBondContact O-N 3.23Å; I108-I112 HydrophobicContact CG2-CG1 4.18Å; I108-I112 VanDerWaalsContact O-CG1 3.28Å; I108-I112 WeakPolarHBondContact O-CG1 3.47Å; I108-I112 PolarHBondContact O-N 3.12Å
109A91.3Very high83.6Confident0 Ų051.5 Ų51.50%025%0.253CS..Hα-helixtrans-60-38.5-178.600000112.5W86 C89 H105 A106 K107 M113 F136 L144W86-A109 PolarHBondContact NE1-O 3.15Å; C89-A109 HydrophobicContact CB-CB 4.18Å; H105-A109 WeakPolarHBondContact O-CB 3.47Å; H105-A109 PolarHBondContact O-N 3.34Å; A106-A109 PolarHBondContact O-N 2.97Å; K107-A109 VanDerWaalsContact C-N 3.32Å; K107-A109 PolarHBondContact O-N 3.32Å; A109-M113 WeakPolarHBondContact O-CB 3.36Å; A109-M113 PolarHBondContact O-N 2.92Å; A109-F136 HydrophobicContact CB-CE1 3.71Å; A109-F136 HydrophobicContact CB-CZ 3.82Å; A109-L144 HydrophobicContact CB-CD2 3.9Å
110S89.1Confident85.1Confident39 Ų3944.6 Ų44.627%0.27323%0.228SC..Hα-helixtrans-65.8-44.5176.7178.70000112.6A106 K107 I108 S114A106-S110 WeakPolarHBondContact O-CB 3.43Å; A106-S110 PolarHBondContact O-N 3.09Å; K107-S110 PolarHBondContact O-N 3.34Å; I108-S110 VanDerWaalsContact C-N 3.28Å; I108-S110 PolarHBondContact O-N 3.16Å; S110-S114 WeakPolarHBondContact O-CB 3.39Å; S110-S114 PolarHBondContact O-N 3.34Å
111D89Confident86.2Confident47 Ų4741.5 Ų41.525%0.25121%0.211SC..Hα-helixtrans-67.9-43.5-179.3-75.3-22.8000112.1I62 K107 I108 S114 C115I62-D111 HydrophobicContact CG2-CB 3.84Å; K107-D111 PolarHBondContact O-N 3.38Å; I108-D111 PolarHBondContact O-N 3.23Å; D111-S114 PolarHBondContact O-N 2.65Å; D111-C115 PolarHBondContact O-N 3.21Å; D111-C115 VanDerWaalsContact O-N 3.12Å
112I92.9Very high87.1Confident0 Ų039 Ų390%020%0.196CC..Hα-helixtrans-66-44.9176.7-59.2-65000110.7L36 I62 L82 L85 W86 I108 S114 C115 I116L36-I112 HydrophobicContact CD2-CD1 4.35Å; I62-I112 HydrophobicContact CG2-CD1 4.05Å; L82-I112 HydrophobicContact CB-CG2 4.27Å; L82-I112 HydrophobicContact CD2-CD1 3.66Å; L82-I112 HydrophobicContact CD2-CG2 4.29Å; L85-I112 HydrophobicContact CD2-CD1 3.92Å; L85-I112 HydrophobicContact CD2-CG1 4.24Å; W86-I112 HydrophobicContact CB-CG2 3.82Å; W86-I112 HydrophobicContact CG-CG2 4.15Å; I108-I112 HydrophobicContact CG2-CG1 4.18Å; I108-I112 VanDerWaalsContact O-CG1 3.28Å; I108-I112 WeakPolarHBondContact O-CG1 3.47Å; I108-I112 PolarHBondContact O-N 3.12Å; I112-S114 VanDerWaalsContact C-N 3.31Å; I112-S114 PolarHBondContact O-N 3.23Å; I112-C115 WeakPolarHBondContact O-CB 3.5Å; I112-C115 PolarHBondContact O-N 3.35Å; I112-I116 HydrophobicContact CG2-CD1 3.87Å; I112-I116 HydrophobicContact CG2-CG1 4.46Å; I112-I116 WeakPolarHBondContact O-CG1 3.42Å; I112-I116 PolarHBondContact O-N 3.46Å
113M88.9Confident87.4Confident9 Ų939.6 Ų39.64%0.04420%0.202CC..Hα-helixtrans-57.4-43.7174.7176.5-166.269.900111.6W86 A109 C115 I116 L117 N147 M148W86-M113 HydrophobicContact CH2-CG 4.49Å; W86-M113 HydrophobicContact CZ2-CB 3.72Å; W86-M113 HydrophobicContact CZ2-CG 3.85Å; A109-M113 WeakPolarHBondContact O-CB 3.36Å; A109-M113 PolarHBondContact O-N 2.92Å; M113-C115 VanDerWaalsContact C-N 3.32Å; M113-C115 PolarHBondContact O-N 3.1Å; M113-I116 PolarHBondContact O-N 3.3Å; M113-L117 VanDerWaalsContact O-CB 3.23Å; M113-L117 WeakPolarHBondContact O-CB 3.01Å; M113-L117 PolarHBondContact O-N 2.83Å; M113-N147 HydrophobicContact CE-CB 3.4Å; M113-N147 VanDerWaalsContact CE-CB 3.4Å; M113-N147 HydrophobicContact SD-CB 3.85Å; M113-M148 HydrophobicContact CG-CE 4.41Å; M113-M148 HydrophobicContact CG-SD 4.38Å; M113-M148 HydrophobicContact SD-CE 3.87Å; M113-M148 HydrophobicContact SD-SD 4.1Å
114S88.3Confident87.4Confident51 Ų5142.4 Ų42.436%0.35722%0.221SC..Hα-helixtrans-61.2-40.5178-174.60000112.1S110 D111 I112 Q118S110-S114 WeakPolarHBondContact O-CB 3.39Å; S110-S114 PolarHBondContact O-N 3.34Å; D111-S114 PolarHBondContact O-N 2.65Å; I112-S114 VanDerWaalsContact C-N 3.31Å; I112-S114 PolarHBondContact O-N 3.23Å; S114-Q118 WeakPolarHBondContact O-CG 3.45Å; S114-Q118 PolarHBondContact O-N 3.38Å
115C90.1Very high87.5Confident7 Ų741.7 Ų41.75%0.04722%0.216CC..Hα-helixtrans-64.4-44.2175.7-175.90000112.2T66 D111 I112 M113 N119T66-C115 HydrophobicContact CG2-CB 3.75Å; D111-C115 PolarHBondContact O-N 3.21Å; D111-C115 VanDerWaalsContact O-N 3.12Å; I112-C115 WeakPolarHBondContact O-CB 3.5Å; I112-C115 PolarHBondContact O-N 3.35Å; M113-C115 VanDerWaalsContact C-N 3.32Å; M113-C115 PolarHBondContact O-N 3.1Å; C115-N119 PolarHBondContact O-ND2 3.4Å
116I89.2Confident87.4Confident1 Ų142 Ų421%0.00522%0.218CC..Hα-helixtrans-67-44.6177.7-65.7170.1000110.9V83 W86 I112 M113 Q118 N119 V125 M126 A129 Y151V83-I116 HydrophobicContact CG2-CD1 4.04Å; W86-I116 HydrophobicContact CD2-CD1 4.38Å; W86-I116 HydrophobicContact CE3-CD1 3.82Å; W86-I116 HydrophobicContact CZ3-CD1 4.1Å; I112-I116 HydrophobicContact CG2-CD1 3.87Å; I112-I116 HydrophobicContact CG2-CG1 4.46Å; I112-I116 WeakPolarHBondContact O-CG1 3.42Å; I112-I116 PolarHBondContact O-N 3.46Å; M113-I116 PolarHBondContact O-N 3.3Å; I116-Q118 VanDerWaalsContact C-N 3.27Å; I116-Q118 PolarHBondContact O-N 3.24Å; I116-N119 CarbonylContact O-C 3.46Å; I116-N119 WeakPolarHBondContact O-CA 3.36Å; I116-N119 PolarHBondContact O-N 2.83Å; I116-V125 HydrophobicContact CG2-CG1 4.33Å; I116-M126 HydrophobicContact CG2-CE 3.82Å; I116-A129 HydrophobicContact CG2-CB 3.65Å; I116-Y151 WeakPolarHBondContact CG2-OH 3.29Å
117L82.6Confident87.4Confident32 Ų3244.1 Ų44.117%0.16824%0.236CC..Hα-helixtrans-60.6-34-179.916963.4000112.1M113 N119 Y120 Y151 L154M113-L117 VanDerWaalsContact O-CB 3.23Å; M113-L117 WeakPolarHBondContact O-CB 3.01Å; M113-L117 PolarHBondContact O-N 2.83Å; L117-N119 PolarHBondContact O-N 3.16Å; L117-Y120 VanDerWaalsContact O-CD1 3.28Å; L117-Y120 WeakPolarHBondContact O-CD1 3.11Å; L117-Y120 PolarHBondContact O-N 3.09Å; L117-Y151 HydrophobicContact CB-CD2 4.07Å; L117-Y151 HydrophobicContact CB-CE2 4.49Å; L117-Y151 HydrophobicContact CD1-CD2 3.37Å; L117-Y151 HydrophobicContact CD1-CE2 4.25Å; L117-Y151 HydrophobicContact CD1-CG 4.09Å; L117-Y151 HydrophobicContact CG-CD2 4.28Å; L117-L154 HydrophobicContact CD1-CD1 3.75Å
118Q85.2Confident87.4Confident105 Ų10542.9 Ų42.949%0.49123%0.233SC..THydrogen-bonded Turntrans-63.1-19.9175.1-74.3170.429.100113S114 I116S114-Q118 WeakPolarHBondContact O-CG 3.45Å; S114-Q118 PolarHBondContact O-N 3.38Å; I116-Q118 VanDerWaalsContact C-N 3.27Å; I116-Q118 PolarHBondContact O-N 3.24Å
119N84.2Confident87.4Confident32 Ų3242.6 Ų42.617%0.17123%0.232CC..THydrogen-bonded Turntrans-113.229.9-177.7-65.3-79000112.3I75 C115 I116 L117 N121 R122I75-N119 HydrophobicContact CB-CB 4.46Å; I75-N119 HydrophobicContact CG1-CB 4.03Å; I75-N119 HydrophobicContact CG2-CB 4.04Å; C115-N119 PolarHBondContact O-ND2 3.4Å; I116-N119 CarbonylContact O-C 3.46Å; I116-N119 WeakPolarHBondContact O-CA 3.36Å; I116-N119 PolarHBondContact O-N 2.83Å; L117-N119 PolarHBondContact O-N 3.16Å; N119-N121 PolarHBondContact O-N 2.56Å; N119-R122 HydrophobicContact CB-CG 4.41Å; N119-R122 PolarHBondContact O-N 3.2Å; N119-R122 VanDerWaalsContact O-N 3.07Å
120Y81.1Confident87.3Confident103 Ų10342.7 Ų42.740%0.40423%0.232SC..THydrogen-bonded Turntrans-60.5-18.8-177.373.1-87000114.6L117 R122 M126L117-Y120 VanDerWaalsContact O-CD1 3.28Å; L117-Y120 WeakPolarHBondContact O-CD1 3.11Å; L117-Y120 PolarHBondContact O-N 3.09Å; Y120-R122 VanDerWaalsContact C-N 3.27Å; Y120-R122 PolarHBondContact O-N 3.02Å; Y120-M126 VanDerWaalsContact CA-SD 3.53Å; Y120-M126 WeakPolarHBondContact O-CG 3.49Å
121N80.3Confident87.4Confident100 Ų10043 Ų4354%0.53523%0.233SC..THydrogen-bonded Turntrans-80.71.7177.862.9-22.1000113.9N119 P123N119-N121 PolarHBondContact O-N 2.56Å; N121-P123 WeakPolarHBondContact O-CD 3.5Å
122R85.9Confident87.5Confident94 Ų9440.9 Ų40.936%0.35522%0.222SC..  trans-103.5100.5179.3-60.5-61.2-171.5158.1-2.5111.3I75 E76 N119 Y120 P124 V125 M126I75-R122 HydrophobicContact CG2-CG 4.36Å; E76-R122 WeakPolarHBondContact OE1-CD 3.43Å; E76-R122 IonicContact OE1-NH1 3.8Å; N119-R122 HydrophobicContact CB-CG 4.41Å; N119-R122 PolarHBondContact O-N 3.2Å; N119-R122 VanDerWaalsContact O-N 3.07Å; Y120-R122 VanDerWaalsContact C-N 3.27Å; Y120-R122 PolarHBondContact O-N 3.02Å; R122-P124 VanDerWaalsContact C-CD 3.49Å; R122-V125 HydrophobicContact CB-CB 4.33Å; R122-V125 HydrophobicContact CB-CG2 4.19Å; R122-V125 PolarHBondContact O-N 3.26Å; R122-M126 WeakPolarHBondContact O-CG 3.49Å; R122-M126 PolarHBondContact O-N 3.29Å; R122-M126 VanDerWaalsContact O-N 3.13Å
123P84.4Confident87.3Confident75 Ų7540.9 Ų40.949%0.48722%0.222SC..Hα-helixtrans-55.9-40.9-174.6-2432.7000115.7N121 V125 M126 A127N121-P123 WeakPolarHBondContact O-CD 3.5Å; P123-V125 VanDerWaalsContact C-N 3.3Å; P123-V125 PolarHBondContact O-N 3.3Å; P123-M126 PolarHBondContact O-N 3.47Å; P123-A127 PolarHBondContact O-N 2.97Å
124P87.3Confident87.4Confident75 Ų7540.8 Ų40.849%0.48722%0.222SC..Hα-helixtrans-62.3-36.1179.8-24.134.7000113.4R122R122-P124 VanDerWaalsContact C-CD 3.49Å
125V88.2Confident87.4Confident3 Ų342.9 Ų42.92%0.01823%0.225CC..Hα-helixtrans-73.2-40.1177.3-178.90000110.2I75 E76 I116 R122 P123 A127 L128 A129I75-V125 HydrophobicContact CG1-CG1 4.16Å; I75-V125 HydrophobicContact CG1-CG2 4.12Å; I75-V125 HydrophobicContact CG2-CG2 4.35Å; E76-V125 HydrophobicContact CG-CG2 4Å; I116-V125 HydrophobicContact CG2-CG1 4.33Å; R122-V125 HydrophobicContact CB-CB 4.33Å; R122-V125 HydrophobicContact CB-CG2 4.19Å; R122-V125 PolarHBondContact O-N 3.26Å; P123-V125 VanDerWaalsContact C-N 3.3Å; P123-V125 PolarHBondContact O-N 3.3Å; V125-A127 VanDerWaalsContact C-N 3.33Å; V125-A127 PolarHBondContact O-N 3.39Å; V125-L128 PolarHBondContact O-N 2.95Å; V125-A129 WeakPolarHBondContact O-CB 3.47Å; V125-A129 PolarHBondContact O-N 3.26Å
126M88.1Confident87.2Confident7 Ų742.8 Ų42.83%0.03422%0.224CC..Hα-helixtrans-63-39.2177-63.6-56.195.400112.3I116 Y120 R122 P123 L128 A129 V130 Y151 L162I116-M126 HydrophobicContact CG2-CE 3.82Å; Y120-M126 VanDerWaalsContact CA-SD 3.53Å; Y120-M126 WeakPolarHBondContact O-CG 3.49Å; R122-M126 WeakPolarHBondContact O-CG 3.49Å; R122-M126 PolarHBondContact O-N 3.29Å; R122-M126 VanDerWaalsContact O-N 3.13Å; P123-M126 PolarHBondContact O-N 3.47Å; M126-L128 PolarHBondContact O-N 3.34Å; M126-A129 PolarHBondContact O-N 3.46Å; M126-A129 VanDerWaalsContact O-N 3.17Å; M126-V130 WeakPolarHBondContact O-CB 3.45Å; M126-V130 VanDerWaalsContact O-CG2 3.29Å; M126-V130 WeakPolarHBondContact O-CG2 3.22Å; M126-V130 PolarHBondContact O-N 3.22Å; M126-Y151 HydrophobicContact CE-CE2 4.25Å; M126-Y151 WeakPolarHBondContact CE-OH 3.48Å; M126-Y151 HydrophobicContact SD-CE2 3.7Å; M126-Y151 PolarHBondContact SD-OH 3.48Å; M126-L162 HydrophobicContact CB-CD1 3.83Å
127A87.9Confident87Confident46 Ų4643 Ų4338%0.3823%0.225SC..Hα-helixtrans-59.5-32.417700000112.7P123 V125 P131 L162P123-A127 PolarHBondContact O-N 2.97Å; V125-A127 VanDerWaalsContact C-N 3.33Å; V125-A127 PolarHBondContact O-N 3.39Å; A127-P131 WeakPolarHBondContact O-CD 3.28Å; A127-L162 HydrophobicContact CB-CD1 4.36Å; A127-L162 HydrophobicContact CB-CD2 3.95Å
128L89.8Confident86.9Confident69 Ų6946.5 Ų46.536%0.36124%0.24SC..Hα-helixtrans-80.4-40.3174.6-61.8172.3000112.1K80 V83 V125 M126K80-L128 HydrophobicContact CG-CD1 3.68Å; V83-L128 HydrophobicContact CB-CB 4.47Å; V83-L128 HydrophobicContact CG1-CB 4.37Å; V83-L128 WeakPolarHBondContact CG1-O 3.29Å; V83-L128 HydrophobicContact CG2-CB 3.99Å; V125-L128 PolarHBondContact O-N 2.95Å; M126-L128 PolarHBondContact O-N 3.34Å
129A90.9Very high86.5Confident0 Ų048 Ų480%024%0.241CC..Hα-helixtrans-80-35.6-170.900000114.3V83 W86 I116 V125 M126 V132 A133 Y151V83-A129 HydrophobicContact CG2-CB 4.2Å; W86-A129 HydrophobicContact CZ3-CB 4.05Å; W86-A129 WeakPolarHBondContact CZ3-O 3.49Å; I116-A129 HydrophobicContact CG2-CB 3.65Å; V125-A129 WeakPolarHBondContact O-CB 3.47Å; V125-A129 PolarHBondContact O-N 3.26Å; M126-A129 PolarHBondContact O-N 3.46Å; M126-A129 VanDerWaalsContact O-N 3.17Å; A129-V132 PolarHBondContact O-N 3.47Å; A129-A133 WeakPolarHBondContact O-CB 3.4Å; A129-A133 PolarHBondContact O-N 3.01Å; A129-Y151 WeakPolarHBondContact CB-OH 3.3Å
130V90.6Very high85.6Confident2 Ų248.6 Ų48.61%0.01226%0.255CS..Hα-helixtrans-58.3-46.9-175.5165.30000113M126 V132 A133 V134 L152 A155 L163M126-V130 WeakPolarHBondContact O-CB 3.45Å; M126-V130 VanDerWaalsContact O-CG2 3.29Å; M126-V130 WeakPolarHBondContact O-CG2 3.22Å; M126-V130 PolarHBondContact O-N 3.22Å; V130-V132 VanDerWaalsContact C-N 3.29Å; V130-V132 PolarHBondContact O-N 3.1Å; V130-A133 WeakPolarHBondContact O-CB 3.44Å; V130-A133 PolarHBondContact O-N 3.47Å; V130-V134 WeakPolarHBondContact O-CG2 3.33Å; V130-V134 PolarHBondContact O-N 2.95Å; V130-L152 HydrophobicContact CG1-CD2 4.41Å; V130-A155 HydrophobicContact CG2-CB 4.42Å; V130-L163 HydrophobicContact CG1-CD2 3.51Å; V130-L163 HydrophobicContact CG1-CG 4.21Å
131P89.8Confident85.5Confident44 Ų4444.1 Ų44.129%0.28624%0.238SC..Hα-helixtrans-58.8-39.5177.9-25.334.1000113.1A127 K135A127-P131 WeakPolarHBondContact O-CD 3.28Å; P131-K135 WeakPolarHBondContact O-CG 3.42Å; P131-K135 PolarHBondContact O-N 3.39Å
132V90.9Very high85.4Confident4 Ų448.1 Ų48.12%0.02425%0.251CS..Hα-helixtrans-70.4-44.3178.5179.50000110.6V83 W86 E87 L90 A129 V130 V134 K135 F136V83-V132 HydrophobicContact CG1-CB 4.43Å; V83-V132 HydrophobicContact CG1-CG2 3.64Å; W86-V132 HydrophobicContact CD2-CG1 3.79Å; W86-V132 HydrophobicContact CE3-CB 3.89Å; W86-V132 HydrophobicContact CE3-CG1 3.54Å; W86-V132 HydrophobicContact CG-CG1 4.21Å; W86-V132 HydrophobicContact CZ3-CB 4.12Å; W86-V132 HydrophobicContact CZ3-CG1 4.13Å; E87-V132 HydrophobicContact CB-CG1 4.07Å; E87-V132 HydrophobicContact CB-CG2 4.06Å; E87-V132 HydrophobicContact CG-CG2 4.34Å; L90-V132 HydrophobicContact CD1-CG1 4.19Å; A129-V132 PolarHBondContact O-N 3.47Å; V130-V132 VanDerWaalsContact C-N 3.29Å; V130-V132 PolarHBondContact O-N 3.1Å; V132-V134 VanDerWaalsContact C-N 3.27Å; V132-V134 PolarHBondContact O-N 3.35Å; V132-K135 WeakPolarHBondContact O-CB 3.36Å; V132-K135 PolarHBondContact O-N 2.92Å; V132-F136 HydrophobicContact CG1-CD2 3.95Å; V132-F136 HydrophobicContact CG1-CE2 3.73Å; V132-F136 WeakPolarHBondContact O-CD2 3.42Å; V132-F136 PolarHBondContact O-N 2.83Å; V132-F136 VanDerWaalsContact O-N 3.13Å
133A90.6Very high85.1Confident0 Ų047.6 Ų47.60%025%0.252CS..Hα-helixtrans-54.2-43.1175.300000112.3W86 A129 V130 K135 F136 L137 M148 Y151 L152W86-A133 HydrophobicContact CH2-CB 3.77Å; W86-A133 HydrophobicContact CZ3-CB 4.25Å; A129-A133 WeakPolarHBondContact O-CB 3.4Å; A129-A133 PolarHBondContact O-N 3.01Å; V130-A133 WeakPolarHBondContact O-CB 3.44Å; V130-A133 PolarHBondContact O-N 3.47Å; A133-K135 PolarHBondContact O-N 3.26Å; A133-F136 WeakPolarHBondContact O-CB 3.48Å; A133-F136 PolarHBondContact O-N 2.73Å; A133-L137 PolarHBondContact O-N 2.82Å; A133-M148 VanDerWaalsContact CA-SD 3.55Å; A133-M148 HydrophobicContact CB-CG 3.85Å; A133-M148 HydrophobicContact CB-SD 3.42Å; A133-M148 WeakPolarHBondContact CB-SD 3.21Å; A133-M148 WeakPolarHBondContact O-CG 3.5Å; A133-Y151 HydrophobicContact CB-CD1 4.15Å; A133-Y151 HydrophobicContact CB-CE1 4.07Å; A133-L152 HydrophobicContact CB-CD2 3.88Å; A133-L152 HydrophobicContact CB-CG 4.33Å
134V89Confident85Confident6 Ų644.3 Ų44.34%0.03623%0.231CC..Hα-helixtrans-63.9-39.2177.5172.20000111.7V130 V132 F136 L137 L152 H166 A169V130-V134 WeakPolarHBondContact O-CG2 3.33Å; V130-V134 PolarHBondContact O-N 2.95Å; V132-V134 VanDerWaalsContact C-N 3.27Å; V132-V134 PolarHBondContact O-N 3.35Å; V134-F136 VanDerWaalsContact C-N 3.3Å; V134-F136 PolarHBondContact O-N 3.41Å; V134-L137 WeakPolarHBondContact O-CB 3.35Å; V134-L137 PolarHBondContact O-N 3.14Å; V134-L152 HydrophobicContact CG2-CD1 4.37Å; V134-L152 HydrophobicContact CG2-CD2 4.2Å; V134-H166 HydrophobicContact CB-CB 4.42Å; V134-H166 HydrophobicContact CG1-CB 4.09Å; V134-H166 HydrophobicContact CG2-CB 3.78Å; V134-A169 HydrophobicContact CG1-CB 3.38Å
135K88.4Confident84.8Confident96 Ų9641 Ų4142%0.41721%0.209SC..Hα-helixtrans-62.8-36175.4-66.4175.4-173.5-179.30112.1E87 L90 P131 V132 A133 L137 Q138E87-K135 IonicContact OE1-NZ 2.75Å; E87-K135 PolarHBondContact OE1-NZ 2.86Å; L90-K135 HydrophobicContact CD1-CB 3.61Å; L90-K135 HydrophobicContact CD1-CD 3.93Å; L90-K135 HydrophobicContact CD1-CG 4.43Å; L90-K135 HydrophobicContact CD2-CB 4.42Å; P131-K135 WeakPolarHBondContact O-CG 3.42Å; P131-K135 PolarHBondContact O-N 3.39Å; V132-K135 WeakPolarHBondContact O-CB 3.36Å; V132-K135 PolarHBondContact O-N 2.92Å; A133-K135 PolarHBondContact O-N 3.26Å; K135-L137 VanDerWaalsContact C-N 3.3Å; K135-L137 PolarHBondContact O-N 2.7Å; K135-Q138 PolarHBondContact O-N 2.87Å
136F86.9Confident84.6Confident5 Ų547.1 Ų47.12%0.02223%0.232CC..Hα-helixtrans-64.5-30.2177.3-89.9-83.9000113.6W86 C89 L90 L94 A109 V132 A133 V134 Q138 R139 L144 M148W86-F136 AromaticContact CD1-CE2 3.46Å; W86-F136 VanDerWaalsContact CD1-CE2 3.46Å; W86-F136 AromaticContact CD1-CZ 3.52Å; W86-F136 HydrophobicContact CD2-CD2 4.46Å; W86-F136 AromaticContact CD2-CE2 3.97Å; W86-F136 HydrophobicContact CD2-CE2 3.97Å; W86-F136 AromaticContact CE2-CD2 3.94Å; W86-F136 AromaticContact CE2-CE2 3.69Å; W86-F136 AromaticContact CG-CE2 3.9Å; W86-F136 HydrophobicContact CG-CE2 3.9Å; W86-F136 HydrophobicContact CG-CZ 4.33Å; W86-F136 HydrophobicContact CZ2-CD2 4.29Å; W86-F136 HydrophobicContact CZ2-CE2 4.47Å; W86-F136 AromaticContact NE1-CD2 3.88Å; W86-F136 AromaticContact NE1-CE2 3.32Å; W86-F136 VanDerWaalsContact NE1-CE2 3.32Å; W86-F136 AromaticContact NE1-CZ 3.51Å; W86-F136 WeakPolarHBondContact O-CE2 3.37Å; W86-F136 VanDerWaalsContact O-CZ 3.29Å; W86-F136 WeakPolarHBondContact O-CZ 3.38Å; C89-F136 HydrophobicContact CB-CZ 4.12Å; L90-F136 HydrophobicContact CD1-CD2 4.16Å; L90-F136 HydrophobicContact CD1-CE2 3.99Å; L90-F136 HydrophobicContact CD2-CB 4.36Å; L90-F136 HydrophobicContact CD2-CD1 3.69Å; L90-F136 HydrophobicContact CD2-CD2 3.63Å; L90-F136 HydrophobicContact CD2-CE1 3.77Å; L90-F136 HydrophobicContact CD2-CE2 3.67Å; L90-F136 HydrophobicContact CD2-CG 3.62Å; L90-F136 HydrophobicContact CD2-CZ 3.74Å; L90-F136 HydrophobicContact CG-CD2 4.01Å; L90-F136 HydrophobicContact CG-CE1 4.29Å; L90-F136 HydrophobicContact CG-CE2 3.61Å; L90-F136 HydrophobicContact CG-CG 4.47Å; L90-F136 HydrophobicContact CG-CZ 3.77Å; L94-F136 HydrophobicContact CD1-CD1 3.76Å; L94-F136 HydrophobicContact CD1-CE1 3.39Å; L94-F136 HydrophobicContact CD1-CZ 4.4Å; A109-F136 HydrophobicContact CB-CE1 3.71Å; A109-F136 HydrophobicContact CB-CZ 3.82Å; V132-F136 HydrophobicContact CG1-CD2 3.95Å; V132-F136 HydrophobicContact CG1-CE2 3.73Å; V132-F136 WeakPolarHBondContact O-CD2 3.42Å; V132-F136 PolarHBondContact O-N 2.83Å; V132-F136 VanDerWaalsContact O-N 3.13Å; A133-F136 WeakPolarHBondContact O-CB 3.48Å; A133-F136 PolarHBondContact O-N 2.73Å; V134-F136 VanDerWaalsContact C-N 3.3Å; V134-F136 PolarHBondContact O-N 3.41Å; F136-Q138 PolarHBondContact O-N 3.43Å; F136-Q138 VanDerWaalsContact O-N 3.16Å; F136-R139 PolarHBondContact O-N 3.11Å; F136-L144 HydrophobicContact CD1-CD2 4.32Å; F136-L144 HydrophobicContact CE1-CD2 4.43Å; F136-M148 HydrophobicContact CB-CE 3.38Å; F136-M148 HydrophobicContact CB-CG 4.37Å; F136-M148 HydrophobicContact CD1-CE 4.27Å; F136-M148 HydrophobicContact CD2-CE 3.93Å; F136-M148 HydrophobicContact CG-CE 3.61Å
137L84.5Confident84.4Confident5 Ų548.4 Ų48.43%0.02624%0.239CC..Hα-helixtrans-58.1-29.6176.7-66.3176.8000112.5A133 V134 K135 M148 L152 L181A133-L137 PolarHBondContact O-N 2.82Å; V134-L137 WeakPolarHBondContact O-CB 3.35Å; V134-L137 PolarHBondContact O-N 3.14Å; K135-L137 VanDerWaalsContact C-N 3.3Å; K135-L137 PolarHBondContact O-N 2.7Å; L137-M148 HydrophobicContact CD2-CB 3.91Å; L137-M148 HydrophobicContact CD2-CG 4.19Å; L137-M148 HydrophobicContact CG-CG 4.47Å; L137-L152 HydrophobicContact CD1-CD1 3.54Å; L137-L152 HydrophobicContact CD2-CD1 4.25Å; L137-L152 HydrophobicContact CG-CD1 4.05Å; L137-L181 HydrophobicContact CD1-CD1 3.7Å; L137-L181 HydrophobicContact CD2-CD1 4.11Å
138Q81.5Confident84.4Confident105 Ų10546.2 Ų46.249%0.49122%0.221SC..THydrogen-bonded Turntrans-90.4-5.2-173.4-60.8178.7-2.800113.9K135 F136K135-Q138 PolarHBondContact O-N 2.87Å; F136-Q138 PolarHBondContact O-N 3.43Å; F136-Q138 VanDerWaalsContact O-N 3.16Å
139R75.9Confident84.2Confident137 Ų13743 Ų4352%0.51720%0.204SC..SBendtrans-95.41.2-170.2-69.1-67.3-169159.74.4115.7L90 L94 F136 N141L90-R139 HydrophobicContact CD2-CG 3.79Å; L90-R139 PolarHBondContact O-NH2 3.44Å; L94-R139 HydrophobicContact CD1-CB 4.22Å; F136-R139 PolarHBondContact O-N 3.11Å; R139-N141 PolarHBondContact O-N 2.96Å
140G65.2Low84Confident45 Ų4545.3 Ų45.346%0.46422%0.22SC..  trans82.28162.400000117.7
141N78.9Confident83.8Confident8 Ų845.3 Ų45.34%0.04322%0.22CC..  trans-83.7113.6163.9-176.8-48.2000109.1L94 D102 R139 E143 L144 C145L94-N141 HydrophobicContact CB-CB 4.45Å; L94-N141 WeakPolarHBondContact O-CB 3.43Å; L94-N141 PolarHBondContact O-ND2 2.99Å; D102-N141 PolarHBondContact OD1-ND2 3.22Å; R139-N141 PolarHBondContact O-N 2.96Å; N141-E143 PolarHBondContact O-N 3.31Å; N141-E143 PolarHBondContact OD1-N 3.41Å; N141-E143 VanDerWaalsContact OD1-N 3.07Å; N141-L144 HydrophobicContact CB-CB 4.01Å; N141-L144 HydrophobicContact CB-CD1 4.03Å; N141-L144 PolarHBondContact OD1-N 3.37Å; N141-C145 WeakPolarHBondContact O-CB 3.46Å; N141-C145 PolarHBondContact O-N 2.99Å
142K78.5Confident83.6Confident184 Ų18443.2 Ų43.280%0.821%0.206SC*.Hα-helixtrans-63.5-40.2-173.7-68.2-173.6177.3-1750113.1C145 R146K142-C145 PolarHBondContact O-N 3.49Å; K142-R146 WeakPolarHBondContact O-CB 3.5Å; K142-R146 PolarHBondContact O-N 3.15Å
143E79.1Confident83.4Confident83 Ų8343.4 Ų43.439%0.38821%0.208SC..Hα-helixtrans-74.1-44.4-176.7-179.855.9-159.700111.5N141 C145 R146 N147N141-E143 PolarHBondContact O-N 3.31Å; N141-E143 PolarHBondContact OD1-N 3.41Å; N141-E143 VanDerWaalsContact OD1-N 3.07Å; E143-C145 VanDerWaalsContact C-N 3.31Å; E143-C145 PolarHBondContact O-N 3.32Å; E143-R146 PolarHBondContact O-N 2.87Å; E143-R146 IonicContact OE1-CZ 2.75Å; E143-R146 IonicContact OE1-NE 2.74Å; E143-R146 IonicContact OE1-NH2 3.29Å; E143-R146 PolarHBondContact OE1-NH2 3.1Å; E143-R146 IonicContact OE2-CZ 3.02Å; E143-R146 IonicContact OE2-NE 3.72Å; E143-R146 PolarHBondContact OE2-NE 3.33Å; E143-R146 IonicContact OE2-NH2 3.76Å; E143-R146 PolarHBondContact OE2-NH2 3.45Å; E143-N147 PolarHBondContact O-N 3.49Å; E143-N147 PolarHBondContact O-ND2 3.02Å; E143-N147 VanDerWaalsContact O-ND2 3.13Å; E143-N147 PolarHBondContact OE1-ND2 2.75Å
144L82.3Confident83.1Confident7 Ų746.3 Ų46.34%0.03722%0.223CC..Hα-helixtrans-58.4-44.7170.7-94.4141.5000111.2A106 A109 F136 N141 R146 N147 M148A106-L144 HydrophobicContact CB-CD1 3.6Å; A109-L144 HydrophobicContact CB-CD2 3.9Å; F136-L144 HydrophobicContact CD1-CD2 4.32Å; F136-L144 HydrophobicContact CE1-CD2 4.43Å; N141-L144 HydrophobicContact CB-CB 4.01Å; N141-L144 HydrophobicContact CB-CD1 4.03Å; N141-L144 PolarHBondContact OD1-N 3.37Å; L144-R146 PolarHBondContact O-N 3.27Å; L144-N147 PolarHBondContact O-N 3.1Å; L144-M148 VanDerWaalsContact O-CB 3.29Å; L144-M148 WeakPolarHBondContact O-CB 3.3Å; L144-M148 PolarHBondContact O-N 3.34Å
145C83.9Confident82.7Confident5 Ų546.3 Ų46.33%0.03422%0.224CC..Hα-helixtrans-62.1-41.7178.2-169.70000112.5N141 K142 E143 M148 S149 N178N141-C145 WeakPolarHBondContact O-CB 3.46Å; N141-C145 PolarHBondContact O-N 2.99Å; K142-C145 PolarHBondContact O-N 3.49Å; E143-C145 VanDerWaalsContact C-N 3.31Å; E143-C145 PolarHBondContact O-N 3.32Å; C145-M148 PolarHBondContact O-N 3Å; C145-S149 WeakPolarHBondContact O-CB 3.43Å; C145-S149 PolarHBondContact O-N 3.25Å; C145-S149 PolarHBondContact O-OG 3.29Å; C145-N178 PolarHBondContact SG-ND2 2.9Å; C145-N178 PolarHBondContact SG-OD1 3.09Å
146R83.9Confident82.5Confident132 Ų13242.2 Ų42.250%0.49821%0.208SC..Hα-helixtrans-62.4-45.4175.3-171-178.273.187.25.4111.7K142 E143 L144 S149 S150K142-R146 WeakPolarHBondContact O-CB 3.5Å; K142-R146 PolarHBondContact O-N 3.15Å; E143-R146 PolarHBondContact O-N 2.87Å; E143-R146 IonicContact OE1-CZ 2.75Å; E143-R146 IonicContact OE1-NE 2.74Å; E143-R146 IonicContact OE1-NH2 3.29Å; E143-R146 PolarHBondContact OE1-NH2 3.1Å; E143-R146 IonicContact OE2-CZ 3.02Å; E143-R146 IonicContact OE2-NE 3.72Å; E143-R146 PolarHBondContact OE2-NE 3.33Å; E143-R146 IonicContact OE2-NH2 3.76Å; E143-R146 PolarHBondContact OE2-NH2 3.45Å; L144-R146 PolarHBondContact O-N 3.27Å; R146-S149 PolarHBondContact O-N 3.47Å; R146-S150 PolarHBondContact O-N 3.41Å
147N83.9Confident82.1Confident33 Ų3348.8 Ų48.818%0.17624%0.242CC..Hα-helixtrans-66.5-39.5177.7-69.7-36.9000111.8M113 E143 L144 S150 Y151M113-N147 HydrophobicContact CE-CB 3.4Å; M113-N147 VanDerWaalsContact CE-CB 3.4Å; M113-N147 HydrophobicContact SD-CB 3.85Å; E143-N147 PolarHBondContact O-N 3.49Å; E143-N147 PolarHBondContact O-ND2 3.02Å; E143-N147 VanDerWaalsContact O-ND2 3.13Å; E143-N147 PolarHBondContact OE1-ND2 2.75Å; L144-N147 PolarHBondContact O-N 3.1Å; N147-S150 WeakPolarHBondContact O-CB 3.3Å; N147-S150 PolarHBondContact O-N 2.95Å; N147-Y151 PolarHBondContact O-N 2.96Å
148M87.1Confident81.7Confident0 Ų051.1 Ų51.10%026%0.262CS..Hα-helixtrans-64.1-41.9174.7-153.365.571.500112.1W86 M113 A133 F136 L137 L144 C145 S150 Y151 L152W86-M148 HydrophobicContact CH2-CE 3.93Å; W86-M148 HydrophobicContact CH2-SD 3.61Å; W86-M148 HydrophobicContact CZ2-CE 3.2Å; W86-M148 HydrophobicContact CZ2-SD 3.49Å; W86-M148 WeakPolarHBondContact CZ2-SD 3.33Å; M113-M148 HydrophobicContact CG-CE 4.41Å; M113-M148 HydrophobicContact CG-SD 4.38Å; M113-M148 HydrophobicContact SD-CE 3.87Å; M113-M148 HydrophobicContact SD-SD 4.1Å; A133-M148 VanDerWaalsContact CA-SD 3.55Å; A133-M148 HydrophobicContact CB-CG 3.85Å; A133-M148 HydrophobicContact CB-SD 3.42Å; A133-M148 WeakPolarHBondContact CB-SD 3.21Å; A133-M148 WeakPolarHBondContact O-CG 3.5Å; F136-M148 HydrophobicContact CB-CE 3.38Å; F136-M148 HydrophobicContact CB-CG 4.37Å; F136-M148 HydrophobicContact CD1-CE 4.27Å; F136-M148 HydrophobicContact CD2-CE 3.93Å; F136-M148 HydrophobicContact CG-CE 3.61Å; L137-M148 HydrophobicContact CD2-CB 3.91Å; L137-M148 HydrophobicContact CD2-CG 4.19Å; L137-M148 HydrophobicContact CG-CG 4.47Å; L144-M148 VanDerWaalsContact O-CB 3.29Å; L144-M148 WeakPolarHBondContact O-CB 3.3Å; L144-M148 PolarHBondContact O-N 3.34Å; C145-M148 PolarHBondContact O-N 3Å; M148-S150 VanDerWaalsContact C-N 3.27Å; M148-S150 PolarHBondContact O-N 2.74Å; M148-Y151 PolarHBondContact O-N 3.45Å; M148-Y151 HydrophobicContact SD-CD1 4.2Å; M148-L152 HydrophobicContact CG-CD1 4.3Å; M148-L152 WeakPolarHBondContact O-CB 3.48Å; M148-L152 WeakPolarHBondContact O-CG 3.39Å; M148-L152 PolarHBondContact O-N 3.16Å
149S87.3Confident81.6Confident1 Ų149.7 Ų49.71%0.00726%0.255CS..Hα-helixtrans-61.1-39.4175.4-61.50000111.2C145 R146 S153C145-S149 WeakPolarHBondContact O-CB 3.43Å; C145-S149 PolarHBondContact O-N 3.25Å; C145-S149 PolarHBondContact O-OG 3.29Å; R146-S149 PolarHBondContact O-N 3.47Å; S149-S153 WeakPolarHBondContact O-CB 3.49Å; S149-S153 PolarHBondContact O-N 3.33Å; S149-S153 VanDerWaalsContact O-N 3.11Å; S149-S153 PolarHBondContact O-OG 3.32Å
150S86.4Confident82Confident50 Ų5044.3 Ų44.335%0.3524%0.237SC..Hα-helixtrans-61.6-47.5173-165.60000112.1R146 N147 M148 S153 L154R146-S150 PolarHBondContact O-N 3.41Å; N147-S150 WeakPolarHBondContact O-CB 3.3Å; N147-S150 PolarHBondContact O-N 2.95Å; M148-S150 VanDerWaalsContact C-N 3.27Å; M148-S150 PolarHBondContact O-N 2.74Å; S150-S153 WeakPolarHBondContact O-CB 3.36Å; S150-S153 PolarHBondContact O-N 2.93Å; S150-L154 PolarHBondContact O-N 3Å; S150-L154 VanDerWaalsContact O-N 3.17Å
151Y85.2Confident82.9Confident1 Ų145.8 Ų45.80%0.00424%0.235CC..Hα-helixtrans-62.7-49.8178.3170.4-125000112.9W86 I116 L117 M126 A129 A133 N147 M148 S153 L154 A155W86-Y151 HydrophobicContact CH2-CE1 4.39Å; I116-Y151 WeakPolarHBondContact CG2-OH 3.29Å; L117-Y151 HydrophobicContact CB-CD2 4.07Å; L117-Y151 HydrophobicContact CB-CE2 4.49Å; L117-Y151 HydrophobicContact CD1-CD2 3.37Å; L117-Y151 HydrophobicContact CD1-CE2 4.25Å; L117-Y151 HydrophobicContact CD1-CG 4.09Å; L117-Y151 HydrophobicContact CG-CD2 4.28Å; M126-Y151 HydrophobicContact CE-CE2 4.25Å; M126-Y151 WeakPolarHBondContact CE-OH 3.48Å; M126-Y151 HydrophobicContact SD-CE2 3.7Å; M126-Y151 PolarHBondContact SD-OH 3.48Å; A129-Y151 WeakPolarHBondContact CB-OH 3.3Å; A133-Y151 HydrophobicContact CB-CD1 4.15Å; A133-Y151 HydrophobicContact CB-CE1 4.07Å; N147-Y151 PolarHBondContact O-N 2.96Å; M148-Y151 PolarHBondContact O-N 3.45Å; M148-Y151 HydrophobicContact SD-CD1 4.2Å; Y151-S153 PolarHBondContact O-N 3.33Å; Y151-L154 WeakPolarHBondContact O-CB 3.49Å; Y151-L154 PolarHBondContact O-N 3.38Å; Y151-A155 PolarHBondContact O-N 3.28Å
152L87.1Confident83Confident0 Ų047.8 Ų47.80%025%0.245CC..Hα-helixtrans-60.3-32.7178.4-69.8169.3000112V130 A133 V134 L137 M148 A155 A156 L163 L181V130-L152 HydrophobicContact CG1-CD2 4.41Å; A133-L152 HydrophobicContact CB-CD2 3.88Å; A133-L152 HydrophobicContact CB-CG 4.33Å; V134-L152 HydrophobicContact CG2-CD1 4.37Å; V134-L152 HydrophobicContact CG2-CD2 4.2Å; L137-L152 HydrophobicContact CD1-CD1 3.54Å; L137-L152 HydrophobicContact CD2-CD1 4.25Å; L137-L152 HydrophobicContact CG-CD1 4.05Å; M148-L152 HydrophobicContact CG-CD1 4.3Å; M148-L152 WeakPolarHBondContact O-CB 3.48Å; M148-L152 WeakPolarHBondContact O-CG 3.39Å; M148-L152 PolarHBondContact O-N 3.16Å; L152-A155 PolarHBondContact O-N 3.37Å; L152-A156 WeakPolarHBondContact O-CB 3.48Å; L152-A156 PolarHBondContact O-N 2.69Å; L152-L163 HydrophobicContact CD2-CD2 3.57Å; L152-L181 HydrophobicContact CB-CD2 4.2Å; L152-L181 HydrophobicContact CD1-CD2 4.43Å
153S86.6Confident83.3Confident8 Ų839 Ų396%0.05621%0.207CC..Hα-helixtrans-68.7-35.7174.9-55.60000113S149 S150 Y151 I157 R183 V184S149-S153 WeakPolarHBondContact O-CB 3.49Å; S149-S153 PolarHBondContact O-N 3.33Å; S149-S153 VanDerWaalsContact O-N 3.11Å; S149-S153 PolarHBondContact O-OG 3.32Å; S150-S153 WeakPolarHBondContact O-CB 3.36Å; S150-S153 PolarHBondContact O-N 2.93Å; Y151-S153 PolarHBondContact O-N 3.33Å; S153-I157 WeakPolarHBondContact O-CG1 3.15Å; S153-R183 VanDerWaalsContact OG-CZ 3.25Å; S153-R183 PolarHBondContact OG-NE 3.23Å; S153-R183 PolarHBondContact OG-NH2 3.33Å; S153-V184 WeakPolarHBondContact OG-CG2 3.46Å
154L83Confident83.6Confident62 Ų6235.8 Ų35.833%0.32519%0.194SC..Hα-helixtrans-71.6-40.6172.6-67.3169.4000111.2L117 S150 Y151 A156 I157 A158L117-L154 HydrophobicContact CD1-CD1 3.75Å; S150-L154 PolarHBondContact O-N 3Å; S150-L154 VanDerWaalsContact O-N 3.17Å; Y151-L154 WeakPolarHBondContact O-CB 3.49Å; Y151-L154 PolarHBondContact O-N 3.38Å; L154-A156 VanDerWaalsContact C-N 3.29Å; L154-A156 PolarHBondContact O-N 3.2Å; L154-I157 WeakPolarHBondContact O-CB 3.16Å; L154-I157 PolarHBondContact O-N 3.36Å; L154-I157 VanDerWaalsContact O-N 3.16Å; L154-A158 PolarHBondContact O-N 3.02Å
155A81.4Confident83.8Confident5 Ų542.1 Ų42.14%0.04123%0.228CC..Hα-helixtrans-61.2-38.3175.700000111.7V130 Y151 L152 I157 A158 E159V130-A155 HydrophobicContact CG2-CB 4.42Å; Y151-A155 PolarHBondContact O-N 3.28Å; L152-A155 PolarHBondContact O-N 3.37Å; A155-I157 VanDerWaalsContact C-N 3.26Å; A155-I157 PolarHBondContact O-N 3.4Å; A155-A158 PolarHBondContact O-N 3.32Å; A155-A158 VanDerWaalsContact O-N 3.12Å; A155-E159 PolarHBondContact O-N 2.74Å
156A83.2Confident84Confident10 Ų1044.2 Ų44.28%0.08324%0.238CC..Hα-helixtrans-62.5-30.817600000113.8L152 L154 L163 V184L152-A156 WeakPolarHBondContact O-CB 3.48Å; L152-A156 PolarHBondContact O-N 2.69Å; L154-A156 VanDerWaalsContact C-N 3.29Å; L154-A156 PolarHBondContact O-N 3.2Å; A156-L163 VanDerWaalsContact CA-CD1 3.49Å; A156-L163 HydrophobicContact CB-CD1 3.48Å; A156-L163 VanDerWaalsContact CB-CD1 3.48Å; A156-V184 HydrophobicContact CB-CB 4.46Å; A156-V184 HydrophobicContact CB-CG1 3.58Å; A156-V184 HydrophobicContact CB-CG2 4.24Å
157I78.8Confident84.3Confident143 Ų14338 Ų3873%0.73321%0.214SC*.Hα-helixtrans-72.8-36.6175.4-63.9167.1000110.5S153 L154 A155S153-I157 WeakPolarHBondContact O-CG1 3.15Å; L154-I157 WeakPolarHBondContact O-CB 3.16Å; L154-I157 PolarHBondContact O-N 3.36Å; L154-I157 VanDerWaalsContact O-N 3.16Å; A155-I157 VanDerWaalsContact C-N 3.26Å; A155-I157 PolarHBondContact O-N 3.4Å
158A76.9Confident84.5Confident54 Ų5439 Ų3945%0.44622%0.219SC..Hα-helixtrans-78.1-51.6-178.500000112.5L154 A155L154-A158 PolarHBondContact O-N 3.02Å; A155-A158 PolarHBondContact O-N 3.32Å; A155-A158 VanDerWaalsContact O-N 3.12Å
159E79.9Confident84.6Confident75 Ų7539.7 Ų39.735%0.3523%0.225SC..  trans-151.686.7-174.5-17160.8-12700111.1A155 N161 L162A155-E159 PolarHBondContact O-N 2.74Å; E159-N161 PolarHBondContact O-N 3.02Å; E159-N161 WeakPolarHBondContact OE1-CB 3.23Å; E159-N161 PolarHBondContact OE1-ND2 3.16Å; E159-L162 HydrophobicContact CB-CD1 4.24Å; E159-L162 HydrophobicContact CB-CG 4.49Å; E159-L162 HydrophobicContact CG-CD1 3.98Å; E159-L162 HydrophobicContact CG-CG 3.85Å; E159-L162 PolarHBondContact O-N 2.91Å
160V82.6Confident84.7Confident24 Ų2439.7 Ų39.715%0.14523%0.225CC..THydrogen-bonded Turntrans-64.1-24.7-178.7700000113.3L162 L163 A164 L188 K191V160-L162 PolarHBondContact O-N 3.09Å; V160-L163 PolarHBondContact O-N 3.21Å; V160-L163 VanDerWaalsContact O-N 3.08Å; V160-A164 PolarHBondContact O-N 3.29Å; V160-L188 HydrophobicContact CG2-CD2 3.9Å; V160-K191 HydrophobicContact CG1-CD 4.45Å; V160-K191 HydrophobicContact CG1-CG 4.05Å; V160-K191 HydrophobicContact CG2-CG 4.44Å
161N84.2Confident84.8Confident77 Ų7737.3 Ų37.341%0.41221%0.208SC..Hα-helixtrans-63.5-31.5-176.4-62.5-45.2000112E159 L163 A164 K191E159-N161 PolarHBondContact O-N 3.02Å; E159-N161 WeakPolarHBondContact OE1-CB 3.23Å; E159-N161 PolarHBondContact OE1-ND2 3.16Å; N161-L163 PolarHBondContact O-N 2.99Å; N161-A164 WeakPolarHBondContact O-CB 3.47Å; N161-A164 PolarHBondContact O-N 3.39Å; N161-K191 VanDerWaalsContact OD1-CE 3.26Å; N161-K191 WeakPolarHBondContact OD1-CE 3.39Å; N161-K191 PolarHBondContact OD1-NZ 2.94Å
162L82.5Confident85Confident50 Ų5041 Ų4126%0.26222%0.224SC..Hα-helixtrans-68.5-22.1177.3-66176.1000113.4M126 A127 E159 V160M126-L162 HydrophobicContact CB-CD1 3.83Å; A127-L162 HydrophobicContact CB-CD1 4.36Å; A127-L162 HydrophobicContact CB-CD2 3.95Å; E159-L162 HydrophobicContact CB-CD1 4.24Å; E159-L162 HydrophobicContact CB-CG 4.49Å; E159-L162 HydrophobicContact CG-CD1 3.98Å; E159-L162 HydrophobicContact CG-CG 3.85Å; E159-L162 PolarHBondContact O-N 2.91Å; V160-L162 PolarHBondContact O-N 3.09Å
163L85Confident85.1Confident0 Ų041 Ų410%022%0.224CC..Hα-helixtrans-93.6-13.1180-68164.3000112.8V130 L152 A156 V160 N161 D165 H166 T167 I170 V184 L188V130-L163 HydrophobicContact CG1-CD2 3.51Å; V130-L163 HydrophobicContact CG1-CG 4.21Å; L152-L163 HydrophobicContact CD2-CD2 3.57Å; A156-L163 VanDerWaalsContact CA-CD1 3.49Å; A156-L163 HydrophobicContact CB-CD1 3.48Å; A156-L163 VanDerWaalsContact CB-CD1 3.48Å; V160-L163 PolarHBondContact O-N 3.21Å; V160-L163 VanDerWaalsContact O-N 3.08Å; N161-L163 PolarHBondContact O-N 2.99Å; L163-D165 PolarHBondContact O-N 3.34Å; L163-H166 CarbonylContact O-C 3.47Å; L163-H166 PolarHBondContact O-N 3.08Å; L163-T167 PolarHBondContact O-N 3.34Å; L163-I170 HydrophobicContact CB-CD1 4.37Å; L163-I170 HydrophobicContact CD2-CD1 4.01Å; L163-V184 HydrophobicContact CD1-CG1 4.34Å; L163-L188 HydrophobicContact CB-CD2 3.64Å
164A85.4Confident85.2Confident15 Ų1540.7 Ų40.712%0.12422%0.222CC..Hα-helixtrans-57.1-48.3-175.700000111.1V160 N161 H166 T167 K191 Q192V160-A164 PolarHBondContact O-N 3.29Å; N161-A164 WeakPolarHBondContact O-CB 3.47Å; N161-A164 PolarHBondContact O-N 3.39Å; A164-H166 PolarHBondContact O-N 3.45Å; A164-T167 WeakPolarHBondContact O-CB 3.38Å; A164-T167 PolarHBondContact O-N 3.39Å; A164-T167 PolarHBondContact O-OG1 2.87Å; A164-K191 HydrophobicContact CB-CB 4.38Å; A164-Q192 PolarHBondContact O-OE1 3.49Å
165D86.3Confident85.3Confident140 Ų14039.9 Ų39.975%0.74922%0.218SC*.THydrogen-bonded Turntrans-65-12.6179.8-63.2-28.7000114.1L163L163-D165 PolarHBondContact O-N 3.34Å
166H88.2Confident85.5Confident49 Ų4945.8 Ų45.823%0.22725%0.245CC..THydrogen-bonded Turntrans-109.99.3-176.8-61.7-53.8000113.7V134 L163 A164 D168 A169 I170V134-H166 HydrophobicContact CB-CB 4.42Å; V134-H166 HydrophobicContact CG1-CB 4.09Å; V134-H166 HydrophobicContact CG2-CB 3.78Å; L163-H166 CarbonylContact O-C 3.47Å; L163-H166 PolarHBondContact O-N 3.08Å; A164-H166 PolarHBondContact O-N 3.45Å; H166-D168 VanDerWaalsContact C-N 3.32Å; H166-D168 PolarHBondContact O-N 3.27Å; H166-A169 PolarHBondContact O-N 3.33Å; H166-A169 VanDerWaalsContact O-N 3.14Å; H166-I170 WeakPolarHBondContact O-CG1 3.44Å; H166-I170 PolarHBondContact O-N 3.21Å; H166-I170 VanDerWaalsContact O-N 3.14Å
167T88.8Confident85.4Confident0 Ų048 Ų480%027%0.268CS..Hα-helixtrans-54.9-43.6-175.9-570000112.7L163 A164 A169 I170 V171 L188 Q192 P195 I196L163-T167 PolarHBondContact O-N 3.34Å; A164-T167 WeakPolarHBondContact O-CB 3.38Å; A164-T167 PolarHBondContact O-N 3.39Å; A164-T167 PolarHBondContact O-OG1 2.87Å; T167-A169 PolarHBondContact O-N 3.02Å; T167-I170 PolarHBondContact O-N 3.28Å; T167-V171 HydrophobicContact CG2-CG2 4.32Å; T167-V171 VanDerWaalsContact O-CG2 3.32Å; T167-V171 WeakPolarHBondContact O-CG2 3.46Å; T167-V171 PolarHBondContact O-N 2.94Å; T167-L188 HydrophobicContact CG2-CB 4.36Å; T167-L188 HydrophobicContact CG2-CD1 4.37Å; T167-Q192 PolarHBondContact OG1-OE1 3.14Å; T167-P195 HydrophobicContact CG2-CB 4.05Å; T167-P195 HydrophobicContact CG2-CG 4.26Å; T167-I196 HydrophobicContact CG2-CD1 3.95Å; T167-I196 HydrophobicContact CG2-CG1 3.71Å
168D89.1Confident85.7Confident54 Ų5442.8 Ų42.829%0.28924%0.242SC..Hα-helixtrans-59.5-42.7179.4-17882.5000112.6H166 V171 K172 P195 Y199H166-D168 VanDerWaalsContact C-N 3.32Å; H166-D168 PolarHBondContact O-N 3.27Å; D168-V171 PolarHBondContact O-N 3.14Å; D168-K172 WeakPolarHBondContact O-CG 3.12Å; D168-K172 PolarHBondContact O-N 3.26Å; D168-K172 IonicContact OD1-NZ 3.63Å; D168-K172 VanDerWaalsContact OD2-CE 3.23Å; D168-K172 WeakPolarHBondContact OD2-CE 3.49Å; D168-K172 IonicContact OD2-NZ 3.34Å; D168-K172 PolarHBondContact OD2-NZ 3.1Å; D168-P195 HydrophobicContact CB-CB 4.27Å; D168-Y199 WeakPolarHBondContact OD1-CE2 3.39Å
169A88.9Confident86.1Confident15 Ų1541.4 Ų41.412%0.12423%0.229CC..Hα-helixtrans-68.5-37.1178.500000112.2V134 H166 T167 S173V134-A169 HydrophobicContact CG1-CB 3.38Å; H166-A169 PolarHBondContact O-N 3.33Å; H166-A169 VanDerWaalsContact O-N 3.14Å; T167-A169 PolarHBondContact O-N 3.02Å; A169-S173 WeakPolarHBondContact O-CB 3.42Å; A169-S173 PolarHBondContact O-N 3.34Å
170I89.5Confident86.3Confident1 Ų141.7 Ų41.71%0.00523%0.232CC..Hα-helixtrans-66.4-44.6176.7-65.9169.2000110.3L163 H166 T167 S173 V174 L181 L185 L188L163-I170 HydrophobicContact CB-CD1 4.37Å; L163-I170 HydrophobicContact CD2-CD1 4.01Å; H166-I170 WeakPolarHBondContact O-CG1 3.44Å; H166-I170 PolarHBondContact O-N 3.21Å; H166-I170 VanDerWaalsContact O-N 3.14Å; T167-I170 PolarHBondContact O-N 3.28Å; I170-S173 WeakPolarHBondContact O-CB 3.42Å; I170-S173 PolarHBondContact O-N 3.42Å; I170-V174 PolarHBondContact O-N 3.3Å; I170-L181 HydrophobicContact CG2-CB 4.21Å; I170-L181 HydrophobicContact CG2-CD1 4.3Å; I170-L181 HydrophobicContact CG2-CD2 4.48Å; I170-L185 HydrophobicContact CG2-CD2 4.06Å; I170-L188 HydrophobicContact CD1-CD1 3.78Å; I170-L188 HydrophobicContact CG2-CD1 4.25Å
171V89.5Confident86.6Confident0 Ų040.6 Ų40.60%023%0.225CC..Hα-helixtrans-63.7-44.7177.9175.60000111.1T167 D168 S173 V174 L175 L185 I196 Y199 L203T167-V171 HydrophobicContact CG2-CG2 4.32Å; T167-V171 VanDerWaalsContact O-CG2 3.32Å; T167-V171 WeakPolarHBondContact O-CG2 3.46Å; T167-V171 PolarHBondContact O-N 2.94Å; D168-V171 PolarHBondContact O-N 3.14Å; V171-S173 PolarHBondContact O-N 3.21Å; V171-V174 WeakPolarHBondContact O-CB 3.34Å; V171-V174 PolarHBondContact O-N 2.94Å; V171-V174 VanDerWaalsContact O-N 3.13Å; V171-L175 HydrophobicContact CG1-CD1 4.31Å; V171-L175 WeakPolarHBondContact O-CG 3.41Å; V171-L175 PolarHBondContact O-N 3.21Å; V171-L185 HydrophobicContact CG2-CD2 3.79Å; V171-I196 HydrophobicContact CG2-CG1 3.84Å; V171-Y199 HydrophobicContact CB-CD2 4.3Å; V171-Y199 HydrophobicContact CG1-CD2 3.57Å; V171-Y199 HydrophobicContact CG1-CG 3.71Å; V171-L203 HydrophobicContact CG1-CD1 4.48Å
172K88.6Confident86.8Confident78 Ų7837 Ų3734%0.33921%0.206SC..Hα-helixtrans-58.3-37.6173.4-75.2170.9178.8163.20112.6D168 L175 Q176 Y199D168-K172 WeakPolarHBondContact O-CG 3.12Å; D168-K172 PolarHBondContact O-N 3.26Å; D168-K172 IonicContact OD1-NZ 3.63Å; D168-K172 VanDerWaalsContact OD2-CE 3.23Å; D168-K172 WeakPolarHBondContact OD2-CE 3.49Å; D168-K172 IonicContact OD2-NZ 3.34Å; D168-K172 PolarHBondContact OD2-NZ 3.1Å; K172-L175 PolarHBondContact O-N 3.38Å; K172-Q176 VanDerWaalsContact O-CG 3.28Å; K172-Q176 WeakPolarHBondContact O-CG 3.32Å; K172-Q176 PolarHBondContact O-N 3.07Å; K172-Q176 VanDerWaalsContact O-N 3.07Å; K172-Y199 WeakPolarHBondContact CE-OH 3.47Å
173S88.2Confident87.1Confident0 Ų039.1 Ų39.10%021%0.21CC..Hα-helixtrans-65.6-39.8176.2-1750000112.3A169 I170 V171 Q176 N178 L181A169-S173 WeakPolarHBondContact O-CB 3.42Å; A169-S173 PolarHBondContact O-N 3.34Å; I170-S173 WeakPolarHBondContact O-CB 3.42Å; I170-S173 PolarHBondContact O-N 3.42Å; V171-S173 PolarHBondContact O-N 3.21Å; S173-Q176 PolarHBondContact O-N 3.25Å; S173-N178 WeakPolarHBondContact O-CB 3.41Å; S173-N178 PolarHBondContact O-N 3.13Å; S173-N178 VanDerWaalsContact O-N 3.14Å; S173-N178 PolarHBondContact O-ND2 2.97Å; S173-N178 PolarHBondContact OG-ND2 3.48Å; S173-L181 WeakPolarHBondContact OG-CD1 3.14Å
174V88.8Confident87.3Confident2 Ų239.3 Ų39.31%0.01221%0.211CC..Hα-helixtrans-60-46.8172.6171.30000110.6I170 V171 Q176 G177 L181 L182 L185 L203 L206I170-V174 PolarHBondContact O-N 3.3Å; V171-V174 WeakPolarHBondContact O-CB 3.34Å; V171-V174 PolarHBondContact O-N 2.94Å; V171-V174 VanDerWaalsContact O-N 3.13Å; V174-Q176 PolarHBondContact O-N 3.02Å; V174-G177 PolarHBondContact O-N 3.45Å; V174-L181 HydrophobicContact CG2-CB 3.55Å; V174-L182 HydrophobicContact CG1-CD2 3.54Å; V174-L182 HydrophobicContact CG1-CG 3.82Å; V174-L185 HydrophobicContact CG2-CD1 4.39Å; V174-L203 HydrophobicContact CB-CD2 4.48Å; V174-L203 HydrophobicContact CG1-CD2 3.72Å; V174-L206 HydrophobicContact CG1-CD1 4.24Å
175L86.1Confident87.5Confident45 Ų4538.6 Ų38.624%0.23621%0.205CC..Hα-helixtrans-62.8-25.3178.3-64.3171.4000113.3V171 K172 G177 Y199 E202 L203 L206V171-L175 HydrophobicContact CG1-CD1 4.31Å; V171-L175 WeakPolarHBondContact O-CG 3.41Å; V171-L175 PolarHBondContact O-N 3.21Å; K172-L175 PolarHBondContact O-N 3.38Å; L175-G177 PolarHBondContact O-N 3.34Å; L175-Y199 HydrophobicContact CD1-CD1 3.64Å; L175-Y199 HydrophobicContact CD1-CE1 4.24Å; L175-Y199 HydrophobicContact CD1-CG 4.03Å; L175-E202 HydrophobicContact CD1-CB 4.44Å; L175-E202 VanDerWaalsContact CD1-OE2 3.23Å; L175-E202 WeakPolarHBondContact CD1-OE2 3.37Å; L175-E202 HydrophobicContact CD2-CB 3.64Å; L175-L203 HydrophobicContact CD2-CD2 4.02Å; L175-L203 HydrophobicContact CD2-CG 4.39Å; L175-L206 HydrophobicContact CD2-CD1 3.92Å
176Q84.6Confident87.6Confident129 Ų12932.6 Ų32.660%0.60317%0.174SC*.THydrogen-bonded Turntrans-81.31.1174.2-71170.96.900113.7K172 S173 V174K172-Q176 VanDerWaalsContact O-CG 3.28Å; K172-Q176 WeakPolarHBondContact O-CG 3.32Å; K172-Q176 PolarHBondContact O-N 3.07Å; K172-Q176 VanDerWaalsContact O-N 3.07Å; S173-Q176 PolarHBondContact O-N 3.25Å; V174-Q176 PolarHBondContact O-N 3.02Å
177G81.7Confident87.6Confident56 Ų5632.1 Ų32.158%0.57718%0.176SC*.THydrogen-bonded Turntrans105.68.3176.300000115.2V174 L175 S179V174-G177 PolarHBondContact O-N 3.45Å; L175-G177 PolarHBondContact O-N 3.34Å; G177-S179 VanDerWaalsContact C-N 3.28Å; G177-S179 PolarHBondContact O-N 3.04Å; G177-S179 VanDerWaalsContact O-N 3.09Å
178N84.9Confident87.5Confident34 Ų3432.1 Ų32.118%0.18218%0.176CC..  trans-85.970173.8-62.2-58.1000111.3C145 S173 M180 L181C145-N178 PolarHBondContact SG-ND2 2.9Å; C145-N178 PolarHBondContact SG-OD1 3.09Å; S173-N178 WeakPolarHBondContact O-CB 3.41Å; S173-N178 PolarHBondContact O-N 3.13Å; S173-N178 VanDerWaalsContact O-N 3.14Å; S173-N178 PolarHBondContact O-ND2 2.97Å; S173-N178 PolarHBondContact OG-ND2 3.48Å; N178-M180 PolarHBondContact O-N 3.3Å; N178-L181 HydrophobicContact CB-CD1 4.26Å; N178-L181 PolarHBondContact O-N 3.05Å; N178-L181 VanDerWaalsContact O-N 3.14Å
179S85.1Confident87.4Confident26 Ų2629.6 Ų29.618%0.18216%0.163CC..G310 helixtrans-58.1-28.5-177.6570000114.4G177 L181 L182 E214G177-S179 VanDerWaalsContact C-N 3.28Å; G177-S179 PolarHBondContact O-N 3.04Å; G177-S179 VanDerWaalsContact O-N 3.09Å; S179-L181 PolarHBondContact O-N 2.67Å; S179-L181 VanDerWaalsContact O-N 3.08Å; S179-L182 WeakPolarHBondContact O-CB 3.46Å; S179-L182 WeakPolarHBondContact O-CG 3.39Å; S179-L182 PolarHBondContact O-N 3.11Å; S179-E214 WeakPolarHBondContact CB-OE1 3.34Å; S179-E214 VanDerWaalsContact CB-OE2 3.25Å; S179-E214 WeakPolarHBondContact CB-OE2 3.29Å; S179-E214 PolarHBondContact OG-OE1 3.11Å; S179-E214 PolarHBondContact OG-OE2 3.45Å
180M84.4Confident87.2Confident81 Ų8134.1 Ų34.140%0.39918%0.181SC..G310 helixtrans-56.2-25.6174.8-72.4-67.5100.300114.3N178 L182 R183 E214N178-M180 PolarHBondContact O-N 3.3Å; M180-L182 VanDerWaalsContact C-N 3.3Å; M180-R183 WeakPolarHBondContact O-CD 3.46Å; M180-R183 VanDerWaalsContact O-CG 3.28Å; M180-R183 WeakPolarHBondContact O-CG 3.38Å; M180-R183 PolarHBondContact O-NE 3.44Å; M180-R183 VanDerWaalsContact O-NE 3.11Å; M180-E214 HydrophobicContact CE-CG 4.32Å; M180-E214 WeakPolarHBondContact CE-OE1 3.37Å
181L88.7Confident87Confident0 Ų039 Ų390%020%0.203CC..G310 helixtrans-79-11.1177.6-71.6171.6000113.1L137 L152 I170 S173 V174 N178 S179 R183 V184L137-L181 HydrophobicContact CD1-CD1 3.7Å; L137-L181 HydrophobicContact CD2-CD1 4.11Å; L152-L181 HydrophobicContact CB-CD2 4.2Å; L152-L181 HydrophobicContact CD1-CD2 4.43Å; I170-L181 HydrophobicContact CG2-CB 4.21Å; I170-L181 HydrophobicContact CG2-CD1 4.3Å; I170-L181 HydrophobicContact CG2-CD2 4.48Å; S173-L181 WeakPolarHBondContact OG-CD1 3.14Å; V174-L181 HydrophobicContact CG2-CB 3.55Å; N178-L181 HydrophobicContact CB-CD1 4.26Å; N178-L181 PolarHBondContact O-N 3.05Å; N178-L181 VanDerWaalsContact O-N 3.14Å; S179-L181 PolarHBondContact O-N 2.67Å; S179-L181 VanDerWaalsContact O-N 3.08Å; L181-R183 PolarHBondContact O-N 3.27Å; L181-V184 HydrophobicContact CD2-CG2 4.37Å; L181-V184 WeakPolarHBondContact O-CB 3.46Å; L181-V184 PolarHBondContact O-N 3.11Å
182L88.2Confident86.7Confident3 Ų342.2 Ų42.22%0.01622%0.217CC..G310 helixtrans-56.4-32.6174.8-74.9166.9000112.2V174 S179 M180 V184 L185 P186 L203 L210 E214 H217 L218V174-L182 HydrophobicContact CG1-CD2 3.54Å; V174-L182 HydrophobicContact CG1-CG 3.82Å; S179-L182 WeakPolarHBondContact O-CB 3.46Å; S179-L182 WeakPolarHBondContact O-CG 3.39Å; S179-L182 PolarHBondContact O-N 3.11Å; M180-L182 VanDerWaalsContact C-N 3.3Å; L182-V184 PolarHBondContact O-N 2.87Å; L182-L185 HydrophobicContact CD2-CD1 3.94Å; L182-L185 PolarHBondContact O-N 3.14Å; L182-P186 WeakPolarHBondContact O-CD 3.29Å; L182-L203 HydrophobicContact CD2-CD2 4.41Å; L182-L210 HydrophobicContact CD1-CD1 3.56Å; L182-L210 HydrophobicContact CD1-CD2 3.78Å; L182-L210 HydrophobicContact CD1-CG 4.31Å; L182-E214 HydrophobicContact CD1-CB 3.99Å; L182-H217 HydrophobicContact CB-CB 4.14Å; L182-L218 HydrophobicContact CD2-CD1 4.33Å
183R88.5Confident86.5Confident94 Ų9439.4 Ų39.436%0.35521%0.208SC..G310 helixtrans-66.6-17.6177.574.1-164.5164.4177.7-2.1114.5S153 M180 L181 H217S153-R183 VanDerWaalsContact OG-CZ 3.25Å; S153-R183 PolarHBondContact OG-NE 3.23Å; S153-R183 PolarHBondContact OG-NH2 3.33Å; M180-R183 WeakPolarHBondContact O-CD 3.46Å; M180-R183 VanDerWaalsContact O-CG 3.28Å; M180-R183 WeakPolarHBondContact O-CG 3.38Å; M180-R183 PolarHBondContact O-NE 3.44Å; M180-R183 VanDerWaalsContact O-NE 3.11Å; L181-R183 PolarHBondContact O-N 3.27Å; R183-H217 VanDerWaalsContact CA-CD2 3.46Å; R183-H217 WeakPolarHBondContact CA-CD2 3.11Å; R183-H217 WeakPolarHBondContact CB-CD2 3.39Å; R183-H217 WeakPolarHBondContact CB-NE2 3.32Å
184V89.7Confident86.3Confident3 Ų345.9 Ų45.92%0.01824%0.238CC..THydrogen-bonded Turntrans-90.5-26.8179.8-175.10000111.3S153 A156 L163 L181 L182 S187 L188S153-V184 WeakPolarHBondContact OG-CG2 3.46Å; A156-V184 HydrophobicContact CB-CB 4.46Å; A156-V184 HydrophobicContact CB-CG1 3.58Å; A156-V184 HydrophobicContact CB-CG2 4.24Å; L163-V184 HydrophobicContact CD1-CG1 4.34Å; L181-V184 HydrophobicContact CD2-CG2 4.37Å; L181-V184 WeakPolarHBondContact O-CB 3.46Å; L181-V184 PolarHBondContact O-N 3.11Å; L182-V184 PolarHBondContact O-N 2.87Å; V184-S187 PolarHBondContact O-N 3.42Å; V184-S187 PolarHBondContact O-OG 2.67Å; V184-L188 HydrophobicContact CG1-CD1 3.73Å; V184-L188 HydrophobicContact CG1-CG 3.91Å; V184-L188 WeakPolarHBondContact O-CG 3.46Å; V184-L188 PolarHBondContact O-N 3.03Å; V184-L188 VanDerWaalsContact O-N 3.14Å
185L89.8Confident86.1Confident0 Ų046.8 Ų46.80%024%0.243CC..Hα-helixtrans-59.4-41-176.9-58.5-174.3000114.1I170 V171 V174 L182 S187 L188 Y189 L203 L221I170-L185 HydrophobicContact CG2-CD2 4.06Å; V171-L185 HydrophobicContact CG2-CD2 3.79Å; V174-L185 HydrophobicContact CG2-CD1 4.39Å; L182-L185 HydrophobicContact CD2-CD1 3.94Å; L182-L185 PolarHBondContact O-N 3.14Å; L185-S187 VanDerWaalsContact C-N 3.32Å; L185-S187 PolarHBondContact O-N 3.4Å; L185-L188 HydrophobicContact CD2-CD1 4.47Å; L185-L188 PolarHBondContact O-N 3.47Å; L185-Y189 WeakPolarHBondContact O-CB 3.47Å; L185-Y189 PolarHBondContact O-N 3.24Å; L185-L203 HydrophobicContact CD1-CD1 4.09Å; L185-L203 HydrophobicContact CD1-CD2 4.28Å; L185-L221 HydrophobicContact CB-CD1 4.29Å; L185-L221 HydrophobicContact CB-CD2 4.05Å; L185-L221 HydrophobicContact CD1-CD2 4.14Å
186P88.8Confident86Confident15 Ų1544.6 Ų44.610%0.09723%0.232CC..Hα-helixtrans-55.1-42.8177-30.537.3000113.9L182 R220 L221 I224L182-P186 WeakPolarHBondContact O-CD 3.29Å; P186-R220 HydrophobicContact CB-CG 4.47Å; P186-R220 HydrophobicContact CG-CG 4.39Å; P186-L221 HydrophobicContact CG-CB 4.28Å; P186-I224 HydrophobicContact CB-CD1 3.61Å; P186-I224 WeakPolarHBondContact O-CD1 3.44Å
187S87.2Confident86Confident39 Ų3939.7 Ų39.727%0.27321%0.21SC..Hα-helixtrans-77-33.3179.856.60000112.5V184 L185 Y189 E190V184-S187 PolarHBondContact O-N 3.42Å; V184-S187 PolarHBondContact O-OG 2.67Å; L185-S187 VanDerWaalsContact C-N 3.32Å; L185-S187 PolarHBondContact O-N 3.4Å; S187-Y189 VanDerWaalsContact C-N 3.34Å; S187-E190 PolarHBondContact O-N 2.93Å
188L87.4Confident86.2Confident0 Ų046 Ų460%022%0.216CC..Hα-helixtrans-67-36.5173.4-71.1176000112.4V160 L163 T167 I170 V184 L185 E190 K191 Q192 I196V160-L188 HydrophobicContact CG2-CD2 3.9Å; L163-L188 HydrophobicContact CB-CD2 3.64Å; T167-L188 HydrophobicContact CG2-CB 4.36Å; T167-L188 HydrophobicContact CG2-CD1 4.37Å; I170-L188 HydrophobicContact CD1-CD1 3.78Å; I170-L188 HydrophobicContact CG2-CD1 4.25Å; V184-L188 HydrophobicContact CG1-CD1 3.73Å; V184-L188 HydrophobicContact CG1-CG 3.91Å; V184-L188 WeakPolarHBondContact O-CG 3.46Å; V184-L188 PolarHBondContact O-N 3.03Å; V184-L188 VanDerWaalsContact O-N 3.14Å; L185-L188 HydrophobicContact CD2-CD1 4.47Å; L185-L188 PolarHBondContact O-N 3.47Å; L188-E190 PolarHBondContact O-N 3.4Å; L188-K191 PolarHBondContact O-N 3.03Å; L188-Q192 PolarHBondContact O-N 3.24Å; L188-I196 HydrophobicContact CB-CD1 4.22Å
189Y86.6Confident86.2Confident0 Ų045.5 Ų45.50%021%0.212CC..Hα-helixtrans-61.2-33.6179.4-173.2-90.5000112.5L185 S187 K191 P193 I196 N197 L221 I224 V225 R228 E230L185-Y189 WeakPolarHBondContact O-CB 3.47Å; L185-Y189 PolarHBondContact O-N 3.24Å; S187-Y189 VanDerWaalsContact C-N 3.34Å; Y189-K191 PolarHBondContact O-N 3.23Å; Y189-P193 HydrophobicContact CD2-CB 3.96Å; Y189-P193 HydrophobicContact CE1-CB 4.32Å; Y189-P193 HydrophobicContact CE2-CB 3.59Å; Y189-P193 HydrophobicContact CG-CB 4.44Å; Y189-I196 HydrophobicContact CD2-CB 4.02Å; Y189-I196 HydrophobicContact CD2-CD1 4.01Å; Y189-I196 HydrophobicContact CD2-CG2 3.92Å; Y189-I196 HydrophobicContact CE2-CG2 4.48Å; Y189-I196 HydrophobicContact CG-CD1 4.39Å; Y189-N197 WeakPolarHBondContact CE2-OD1 3.48Å; Y189-L221 HydrophobicContact CD2-CD1 4.12Å; Y189-L221 HydrophobicContact CG-CD1 3.98Å; Y189-I224 HydrophobicContact CD1-CB 4.29Å; Y189-I224 HydrophobicContact CD1-CG2 3.5Å; Y189-I224 VanDerWaalsContact CD1-CG2 3.5Å; Y189-I224 HydrophobicContact CE1-CG2 3.97Å; Y189-V225 HydrophobicContact CD2-CG2 4.16Å; Y189-V225 HydrophobicContact CE1-CB 4.41Å; Y189-V225 HydrophobicContact CE1-CG2 4.04Å; Y189-V225 HydrophobicContact CE2-CG2 3.64Å; Y189-V225 WeakPolarHBondContact OH-CA 3.46Å; Y189-R228 HydrophobicContact CE1-CB 4.3Å; Y189-R228 HydrophobicContact CE1-CG 4.08Å; Y189-E230 PolarHBondContact OH-OE2 3.29Å
190E84.8Confident86.1Confident110 Ų11044.5 Ų44.551%0.51421%0.205SC..THydrogen-bonded Turntrans-64.5-24.9175.2-67.8-171.6165.700113.3S187 L188 I224 R228S187-E190 PolarHBondContact O-N 2.93Å; L188-E190 PolarHBondContact O-N 3.4Å; E190-I224 HydrophobicContact CG-CG2 4.31Å; E190-R228 PolarHBondContact O-NH2 3.33Å
191K85.5Confident86Confident105 Ų10548.1 Ų48.146%0.45721%0.214SC..THydrogen-bonded Turntrans-97-51.1-178.4-61.6-65.2-179.4160.60112.5V160 N161 A164 L188 Y189V160-K191 HydrophobicContact CG1-CD 4.45Å; V160-K191 HydrophobicContact CG1-CG 4.05Å; V160-K191 HydrophobicContact CG2-CG 4.44Å; N161-K191 VanDerWaalsContact OD1-CE 3.26Å; N161-K191 WeakPolarHBondContact OD1-CE 3.39Å; N161-K191 PolarHBondContact OD1-NZ 2.94Å; A164-K191 HydrophobicContact CB-CB 4.38Å; L188-K191 PolarHBondContact O-N 3.03Å; Y189-K191 PolarHBondContact O-N 3.23Å
192Q84.3Confident85.8Confident66 Ų6652.8 Ų52.831%0.30824%0.236SC..  trans-13787.8-175.8-156.8-171.634.200111.1A164 T167 L188 P195A164-Q192 PolarHBondContact O-OE1 3.49Å; T167-Q192 PolarHBondContact OG1-OE1 3.14Å; L188-Q192 PolarHBondContact O-N 3.24Å; Q192-P195 HydrophobicContact CG-CG 4.17Å; Q192-P195 WeakPolarHBondContact O-CD 3.38Å
193P83.6Confident85.7Confident20 Ų2052.7 Ų52.713%0.1324%0.235CC..Hα-helixtrans-75.2-28.8-175.827.4-34000113.6Y189 I196 N197Y189-P193 HydrophobicContact CD2-CB 3.96Å; Y189-P193 HydrophobicContact CE1-CB 4.32Å; Y189-P193 HydrophobicContact CE2-CB 3.59Å; Y189-P193 HydrophobicContact CG-CB 4.44Å; P193-I196 PolarHBondContact O-N 3.23Å; P193-I196 VanDerWaalsContact O-N 3.16Å; P193-N197 VanDerWaalsContact O-CG 3.27Å; P193-N197 PolarHBondContact O-N 3.27Å; P193-N197 PolarHBondContact O-ND2 3.17Å
194Q84.1Confident85.3Confident136 Ų13649 Ų4964%0.63622%0.223SC*.Hα-helixtrans-56.6-47.6-170.7-66.1-65.7-18.700114.9I196 N197 R198Q194-I196 VanDerWaalsContact C-N 3.33Å; Q194-I196 PolarHBondContact O-N 3.27Å; Q194-N197 PolarHBondContact O-N 3.34Å; Q194-R198 PolarHBondContact O-N 3.25Å
195P84.4Confident85.1Confident20 Ų2052.1 Ų52.113%0.1325%0.249CC..Hα-helixtrans-65.4-37.4178.6-20.634000112.3T167 D168 Q192 R198 Y199T167-P195 HydrophobicContact CG2-CB 4.05Å; T167-P195 HydrophobicContact CG2-CG 4.26Å; D168-P195 HydrophobicContact CB-CB 4.27Å; Q192-P195 HydrophobicContact CG-CG 4.17Å; Q192-P195 WeakPolarHBondContact O-CD 3.38Å; P195-R198 PolarHBondContact O-N 3.21Å; P195-Y199 WeakPolarHBondContact O-CD2 3.46Å
196I84.8Confident84.8Confident0 Ų053.5 Ų53.50%026%0.256CS..Hα-helixtrans-67.1-44.2179.3-63.9170.2000109.8T167 V171 L188 Y189 P193 Q194 R198 Y199 L200 L203 L221T167-I196 HydrophobicContact CG2-CD1 3.95Å; T167-I196 HydrophobicContact CG2-CG1 3.71Å; V171-I196 HydrophobicContact CG2-CG1 3.84Å; L188-I196 HydrophobicContact CB-CD1 4.22Å; Y189-I196 HydrophobicContact CD2-CB 4.02Å; Y189-I196 HydrophobicContact CD2-CD1 4.01Å; Y189-I196 HydrophobicContact CD2-CG2 3.92Å; Y189-I196 HydrophobicContact CE2-CG2 4.48Å; Y189-I196 HydrophobicContact CG-CD1 4.39Å; P193-I196 PolarHBondContact O-N 3.23Å; P193-I196 VanDerWaalsContact O-N 3.16Å; Q194-I196 VanDerWaalsContact C-N 3.33Å; Q194-I196 PolarHBondContact O-N 3.27Å; I196-R198 VanDerWaalsContact C-N 3.26Å; I196-R198 PolarHBondContact O-N 2.95Å; I196-Y199 CarbonylContact O-C 3.3Å; I196-Y199 PolarHBondContact O-N 2.95Å; I196-L200 HydrophobicContact CG2-CD2 4.03Å; I196-L200 HydrophobicContact CG2-CG 4.31Å; I196-L200 WeakPolarHBondContact O-CG 3.17Å; I196-L200 PolarHBondContact O-N 3.09Å; I196-L203 HydrophobicContact CG2-CD1 4.34Å; I196-L221 HydrophobicContact CG2-CD1 4.34Å; I196-L221 HydrophobicContact CG2-CD2 4.02Å
197N84.5Confident84.4Confident26 Ų2653 Ų5314%0.13925%0.253CS..Hα-helixtrans-55.6-39.8178.6-71.7-22.8000113.5Y189 P193 Q194 Y199 L200 E230Y189-N197 WeakPolarHBondContact CE2-OD1 3.48Å; P193-N197 VanDerWaalsContact O-CG 3.27Å; P193-N197 PolarHBondContact O-N 3.27Å; P193-N197 PolarHBondContact O-ND2 3.17Å; Q194-N197 PolarHBondContact O-N 3.34Å; N197-Y199 PolarHBondContact O-N 3.5Å; N197-L200 HydrophobicContact CB-CD1 4.49Å; N197-L200 PolarHBondContact O-N 2.91Å; N197-L200 WeakPolarHBondContact OD1-CD1 3.28Å; N197-E230 VanDerWaalsContact CG-OE2 3.23Å; N197-E230 PolarHBondContact ND2-OE2 2.97Å; N197-E230 PolarHBondContact OD1-OE2 3.03Å; N197-E230 VanDerWaalsContact OD1-OE2 3.09Å
198R85.4Confident84Confident188 Ų18855 Ų5571%0.70927%0.272SS*.Hα-helixtrans-58.7-34.7177.4-176.2179.5179.4168.42.4112.6Q194 P195 I196Q194-R198 PolarHBondContact O-N 3.25Å; P195-R198 PolarHBondContact O-N 3.21Å; I196-R198 VanDerWaalsContact C-N 3.26Å; I196-R198 PolarHBondContact O-N 2.95Å
199Y85.1Confident83.7Confident24 Ų2462.7 Ų62.79%0.09431%0.308CS..Hα-helixtrans-106.12.8-175-65.7-68.3000113.6D168 V171 K172 L175 P195 I196 N197 R201 E202 L203D168-Y199 WeakPolarHBondContact OD1-CE2 3.39Å; V171-Y199 HydrophobicContact CB-CD2 4.3Å; V171-Y199 HydrophobicContact CG1-CD2 3.57Å; V171-Y199 HydrophobicContact CG1-CG 3.71Å; K172-Y199 WeakPolarHBondContact CE-OH 3.47Å; L175-Y199 HydrophobicContact CD1-CD1 3.64Å; L175-Y199 HydrophobicContact CD1-CE1 4.24Å; L175-Y199 HydrophobicContact CD1-CG 4.03Å; P195-Y199 WeakPolarHBondContact O-CD2 3.46Å; I196-Y199 CarbonylContact O-C 3.3Å; I196-Y199 PolarHBondContact O-N 2.95Å; N197-Y199 PolarHBondContact O-N 3.5Å; Y199-R201 VanDerWaalsContact C-N 3.27Å; Y199-R201 PolarHBondContact O-N 3.29Å; Y199-E202 PolarHBondContact O-N 3.13Å; Y199-L203 WeakPolarHBondContact O-CG 3.23Å; Y199-L203 PolarHBondContact O-N 3.36Å
200L82.5Confident83.5Confident4 Ų463.7 Ų63.72%0.02131%0.313CS..Hα-helixtrans-55.1-41.1-177.9-86.3177.1000112.4I196 N197 E202 L203 V204 L221 F222 V225 V233I196-L200 HydrophobicContact CG2-CD2 4.03Å; I196-L200 HydrophobicContact CG2-CG 4.31Å; I196-L200 WeakPolarHBondContact O-CG 3.17Å; I196-L200 PolarHBondContact O-N 3.09Å; N197-L200 HydrophobicContact CB-CD1 4.49Å; N197-L200 PolarHBondContact O-N 2.91Å; N197-L200 WeakPolarHBondContact OD1-CD1 3.28Å; L200-E202 VanDerWaalsContact C-N 3.32Å; L200-E202 PolarHBondContact O-N 2.89Å; L200-L203 HydrophobicContact CD2-CD1 4.48Å; L200-L203 PolarHBondContact O-N 3.14Å; L200-V204 WeakPolarHBondContact O-CG2 3.47Å; L200-V204 PolarHBondContact O-N 3.29Å; L200-L221 HydrophobicContact CD2-CD2 4.3Å; L200-F222 HydrophobicContact CD2-CD1 4.37Å; L200-F222 HydrophobicContact CD2-CE1 4.09Å; L200-V225 HydrophobicContact CD1-CG1 4.09Å; L200-V225 HydrophobicContact CD1-CG2 4.32Å; L200-V225 HydrophobicContact CD2-CG2 4.31Å; L200-V233 HydrophobicContact CB-CB 4.13Å; L200-V233 HydrophobicContact CB-CG1 3.56Å; L200-V233 HydrophobicContact CB-CG2 4.47Å; L200-V233 HydrophobicContact CD1-CB 4.11Å; L200-V233 HydrophobicContact CD1-CG1 4.42Å; L200-V233 HydrophobicContact CD1-CG2 4.44Å
201R82.3Confident83.5Confident158 Ų15864 Ų6460%0.59632%0.318SS*.Hα-helixtrans-60.3-41.3177.5-174-175.1-73.5161.6-4.4112.2Y199 V204 A205 V233 E236Y199-R201 VanDerWaalsContact C-N 3.27Å; Y199-R201 PolarHBondContact O-N 3.29Å; R201-V204 PolarHBondContact O-N 3.22Å; R201-A205 PolarHBondContact O-N 3.39Å; R201-V233 HydrophobicContact CB-CG1 4.41Å; R201-E236 IonicContact CZ-OE1 2.73Å; R201-E236 IonicContact CZ-OE2 3.75Å; R201-E236 VanDerWaalsContact CZ-OE2 3.29Å; R201-E236 IonicContact NE-OE1 3.95Å; R201-E236 IonicContact NE-OE2 3.15Å; R201-E236 PolarHBondContact NE-OE2 3.1Å; R201-E236 VanDerWaalsContact NH2-CD 3.29Å; R201-E236 IonicContact NH2-OE1 2.67Å; R201-E236 PolarHBondContact NH2-OE1 3.26Å; R201-E236 IonicContact NH2-OE2 3.53Å; R201-E236 PolarHBondContact NH2-OE2 2.95Å
202E84.8Confident83.4Confident98 Ų9863.7 Ų63.746%0.45832%0.318SS..Hα-helixtrans-71.5-37.7178.2-63.4172.8-153.500111.1L175 Y199 L200 V204 A205 L206L175-E202 HydrophobicContact CD1-CB 4.44Å; L175-E202 VanDerWaalsContact CD1-OE2 3.23Å; L175-E202 WeakPolarHBondContact CD1-OE2 3.37Å; L175-E202 HydrophobicContact CD2-CB 3.64Å; Y199-E202 PolarHBondContact O-N 3.13Å; L200-E202 VanDerWaalsContact C-N 3.32Å; L200-E202 PolarHBondContact O-N 2.89Å; E202-V204 VanDerWaalsContact C-N 3.33Å; E202-V204 PolarHBondContact O-N 3.41Å; E202-A205 WeakPolarHBondContact O-CB 3.42Å; E202-A205 PolarHBondContact O-N 3.3Å; E202-L206 PolarHBondContact O-N 3.15Å
203L85.3Confident83.4Confident1 Ų162.6 Ų62.61%0.00532%0.32CS..Hα-helixtrans-63.3-37.4174.5-69171.9000112.3V171 V174 L175 L182 L185 I196 Y199 L200 A205 L206 L218 L221V171-L203 HydrophobicContact CG1-CD1 4.48Å; V174-L203 HydrophobicContact CB-CD2 4.48Å; V174-L203 HydrophobicContact CG1-CD2 3.72Å; L175-L203 HydrophobicContact CD2-CD2 4.02Å; L175-L203 HydrophobicContact CD2-CG 4.39Å; L182-L203 HydrophobicContact CD2-CD2 4.41Å; L185-L203 HydrophobicContact CD1-CD1 4.09Å; L185-L203 HydrophobicContact CD1-CD2 4.28Å; I196-L203 HydrophobicContact CG2-CD1 4.34Å; Y199-L203 WeakPolarHBondContact O-CG 3.23Å; Y199-L203 PolarHBondContact O-N 3.36Å; L200-L203 HydrophobicContact CD2-CD1 4.48Å; L200-L203 PolarHBondContact O-N 3.14Å; L203-A205 VanDerWaalsContact C-N 3.34Å; L203-L206 HydrophobicContact CD2-CD1 4.35Å; L203-L206 WeakPolarHBondContact O-CB 3.38Å; L203-L206 PolarHBondContact O-N 3.42Å; L203-L218 HydrophobicContact CB-CD1 4.1Å; L203-L218 WeakPolarHBondContact O-CD2 3.4Å; L203-L221 HydrophobicContact CD1-CD2 4.25Å
204V81.5Confident83.4Confident17 Ų1762.3 Ų62.310%0.10332%0.317CS..Hα-helixtrans-64.9-40.5174.9176.50000110.8L200 R201 E202 L206 M207 F222 C237 F240L200-V204 WeakPolarHBondContact O-CG2 3.47Å; L200-V204 PolarHBondContact O-N 3.29Å; R201-V204 PolarHBondContact O-N 3.22Å; E202-V204 VanDerWaalsContact C-N 3.33Å; E202-V204 PolarHBondContact O-N 3.41Å; V204-L206 PolarHBondContact O-N 3.2Å; V204-M207 WeakPolarHBondContact O-CB 3.44Å; V204-M207 PolarHBondContact O-N 2.9Å; V204-F222 HydrophobicContact CB-CZ 4.29Å; V204-F222 HydrophobicContact CG2-CE1 3.77Å; V204-F222 HydrophobicContact CG2-CE2 4.24Å; V204-F222 HydrophobicContact CG2-CZ 3.33Å; V204-C237 HydrophobicContact CG2-CB 4.43Å; V204-C237 WeakPolarHBondContact CG2-SG 3.42Å; V204-F240 HydrophobicContact CG1-CD1 4.35Å; V204-F240 HydrophobicContact CG1-CG 4.35Å
205A83.5Confident83.5Confident68 Ų6857.2 Ų57.256%0.56229%0.293SS*.Hα-helixtrans-62.7-27.3177.700000113R201 E202 L203 M207R201-A205 PolarHBondContact O-N 3.39Å; E202-A205 WeakPolarHBondContact O-CB 3.42Å; E202-A205 PolarHBondContact O-N 3.3Å; L203-A205 VanDerWaalsContact C-N 3.34Å; A205-M207 PolarHBondContact O-N 3.13Å
206L83.6Confident83.7Confident29 Ų2958.7 Ų58.715%0.15230%0.298CS..G310 helixtrans-69.5-19.8175.3-68.2178.3000113.5V174 L175 E202 L203 V204 A208 Q209 L210V174-L206 HydrophobicContact CG1-CD1 4.24Å; L175-L206 HydrophobicContact CD2-CD1 3.92Å; E202-L206 PolarHBondContact O-N 3.15Å; L203-L206 HydrophobicContact CD2-CD1 4.35Å; L203-L206 WeakPolarHBondContact O-CB 3.38Å; L203-L206 PolarHBondContact O-N 3.42Å; V204-L206 PolarHBondContact O-N 3.2Å; L206-A208 PolarHBondContact O-N 2.88Å; L206-Q209 PolarHBondContact O-N 3.41Å; L206-L210 HydrophobicContact CB-CD1 4.16Å; L206-L210 HydrophobicContact CB-CG 4.34Å; L206-L210 WeakPolarHBondContact O-CG 3.34Å; L206-L210 PolarHBondContact O-N 3.46Å
207M80.6Confident83.8Confident4 Ų462.1 Ų62.12%0.0231%0.314CS..G310 helixtrans-57.6-31.8-170-163.8148.5-140.500113.9V204 A205 Q209 Q215 L218 L219 F222 F240V204-M207 WeakPolarHBondContact O-CB 3.44Å; V204-M207 PolarHBondContact O-N 2.9Å; A205-M207 PolarHBondContact O-N 3.13Å; M207-Q209 VanDerWaalsContact C-N 3.28Å; M207-Q209 PolarHBondContact O-N 3.33Å; M207-Q215 HydrophobicContact CE-CB 4.28Å; M207-Q215 HydrophobicContact CG-CG 4.46Å; M207-Q215 PolarHBondContact O-NE2 3.43Å; M207-L218 HydrophobicContact CB-CD2 4.03Å; M207-L218 HydrophobicContact CE-CB 4.16Å; M207-L218 HydrophobicContact CE-CD2 3.96Å; M207-L218 HydrophobicContact CE-CG 4.16Å; M207-L218 HydrophobicContact CG-CD2 4.17Å; M207-L218 HydrophobicContact SD-CD2 3.88Å; M207-L219 HydrophobicContact CE-CD1 4.37Å; M207-L219 HydrophobicContact CE-CD2 3.51Å; M207-L219 HydrophobicContact CE-CG 3.49Å; M207-L219 VanDerWaalsContact CE-CG 3.49Å; M207-F222 HydrophobicContact CE-CE2 4.38Å; M207-F222 HydrophobicContact SD-CE2 4.02Å; M207-F240 HydrophobicContact CB-CE1 3.7Å; M207-F240 HydrophobicContact CB-CZ 3.62Å; M207-F240 HydrophobicContact CG-CE1 3.55Å; M207-F240 HydrophobicContact CG-CZ 3.82Å; M207-F240 HydrophobicContact SD-CD1 4.17Å; M207-F240 HydrophobicContact SD-CE1 3.42Å; M207-F240 WeakPolarHBondContact SD-CE1 3.09Å; M207-F240 HydrophobicContact SD-CZ 4.29Å
208A78.8Confident84Confident81 Ų8161 Ų6167%0.66931%0.308SS*.G310 helixtrans-72.6-15.2176.300000114.5L206L206-A208 PolarHBondContact O-N 2.88Å
209Q81.9Confident84.1Confident162 Ų16252.1 Ų52.176%0.75728%0.275SS*.G310 helixtrans-107.9-6.3-175.2-58.1178.617.900113.2L206 M207L206-Q209 PolarHBondContact O-N 3.41Å; M207-Q209 VanDerWaalsContact C-N 3.28Å; M207-Q209 PolarHBondContact O-N 3.33Å
210L82.9Confident84.3Confident21 Ų2156.6 Ų56.611%0.1129%0.291CS..SBendtrans-92.5152.2-174.2-69.1172.5000112.2L182 L206 E214 Q215 L218L182-L210 HydrophobicContact CD1-CD1 3.56Å; L182-L210 HydrophobicContact CD1-CD2 3.78Å; L182-L210 HydrophobicContact CD1-CG 4.31Å; L206-L210 HydrophobicContact CB-CD1 4.16Å; L206-L210 HydrophobicContact CB-CG 4.34Å; L206-L210 WeakPolarHBondContact O-CG 3.34Å; L206-L210 PolarHBondContact O-N 3.46Å; L210-E214 HydrophobicContact CB-CB 4Å; L210-E214 HydrophobicContact CD2-CB 4.19Å; L210-E214 WeakPolarHBondContact CD2-OE2 3.33Å; L210-E214 HydrophobicContact CG-CB 4.46Å; L210-Q215 HydrophobicContact CB-CG 3.93Å; L210-Q215 PolarHBondContact O-NE2 3.14Å; L210-L218 HydrophobicContact CD1-CD2 4.12Å
211D84.1Confident84.6Confident115 Ų11556.4 Ų56.462%0.61529%0.291SS*.  trans-71.8160.4173.3-69.7-27.5000111.5A213 E214 Q215D211-A213 VanDerWaalsContact C-N 3.31Å; D211-A213 PolarHBondContact O-N 2.85Å; D211-E214 HydrophobicContact CB-CG 4.45Å; D211-E214 PolarHBondContact N-OE2 3.24Å; D211-E214 VanDerWaalsContact N-OE2 3.16Å; D211-E214 WeakPolarHBondContact O-CA 3.41Å; D211-E214 WeakPolarHBondContact O-CB 3.45Å; D211-E214 PolarHBondContact O-N 2.91Å; D211-Q215 WeakPolarHBondContact O-CG 3.18Å; D211-Q215 PolarHBondContact O-N 3.18Å
212Q83Confident84.8Confident100 Ų10049 Ų4947%0.46726%0.263SS..Hα-helixtrans-52-45.2-177.2176.4170.91900112.9E214 Q215 H216 N249 Y250Q212-E214 VanDerWaalsContact C-N 3.29Å; Q212-E214 PolarHBondContact O-N 3.49Å; Q212-Q215 PolarHBondContact O-N 3.41Å; Q212-H216 PolarHBondContact O-N 3.32Å; Q212-H216 PolarHBondContact O-ND1 3.12Å; Q212-N249 VanDerWaalsContact NE2-CG 3.25Å; Q212-N249 PolarHBondContact NE2-OD1 2.65Å; Q212-Y250 WeakPolarHBondContact CA-OH 3.5Å; Q212-Y250 WeakPolarHBondContact CG-OH 3.48Å
213A84.2Confident84.9Confident42 Ų4245 Ų4535%0.34724%0.244SC..Hα-helixtrans-62.2-36.9178.300000112.3D211 H216 H217D211-A213 VanDerWaalsContact C-N 3.31Å; D211-A213 PolarHBondContact O-N 2.85Å; A213-H216 PolarHBondContact O-N 3.4Å; A213-H217 PolarHBondContact O-CE1 3.39Å; A213-H217 PolarHBondContact O-N 3.33Å; A213-H217 PolarHBondContact O-ND1 3.03Å
214E84.5Confident84.9Confident15 Ų1545.7 Ų45.77%0.0725%0.248CC..Hα-helixtrans-75.7-37.5-177.7-63.8168.5165.200111.3S179 M180 L182 L210 D211 Q212 H216 H217 L218S179-E214 WeakPolarHBondContact CB-OE1 3.34Å; S179-E214 VanDerWaalsContact CB-OE2 3.25Å; S179-E214 WeakPolarHBondContact CB-OE2 3.29Å; S179-E214 PolarHBondContact OG-OE1 3.11Å; S179-E214 PolarHBondContact OG-OE2 3.45Å; M180-E214 HydrophobicContact CE-CG 4.32Å; M180-E214 WeakPolarHBondContact CE-OE1 3.37Å; L182-E214 HydrophobicContact CD1-CB 3.99Å; L210-E214 HydrophobicContact CB-CB 4Å; L210-E214 HydrophobicContact CD2-CB 4.19Å; L210-E214 WeakPolarHBondContact CD2-OE2 3.33Å; L210-E214 HydrophobicContact CG-CB 4.46Å; D211-E214 HydrophobicContact CB-CG 4.45Å; D211-E214 PolarHBondContact N-OE2 3.24Å; D211-E214 VanDerWaalsContact N-OE2 3.16Å; D211-E214 WeakPolarHBondContact O-CA 3.41Å; D211-E214 WeakPolarHBondContact O-CB 3.45Å; D211-E214 PolarHBondContact O-N 2.91Å; Q212-E214 VanDerWaalsContact C-N 3.29Å; Q212-E214 PolarHBondContact O-N 3.49Å; E214-H216 VanDerWaalsContact C-N 3.3Å; E214-H216 PolarHBondContact O-N 3.11Å; E214-H217 PolarHBondContact O-N 3.21Å; E214-L218 PolarHBondContact O-N 3.4Å; E214-L218 VanDerWaalsContact O-N 3.11Å
215Q86.3Confident85.1Confident28 Ų2844.9 Ų44.913%0.13124%0.243CC..Hα-helixtrans-57.5-41.8171.2-66.9-179.815.400111.4M207 L210 D211 Q212 H217 L218 L219 Y250M207-Q215 HydrophobicContact CE-CB 4.28Å; M207-Q215 HydrophobicContact CG-CG 4.46Å; M207-Q215 PolarHBondContact O-NE2 3.43Å; L210-Q215 HydrophobicContact CB-CG 3.93Å; L210-Q215 PolarHBondContact O-NE2 3.14Å; D211-Q215 WeakPolarHBondContact O-CG 3.18Å; D211-Q215 PolarHBondContact O-N 3.18Å; Q212-Q215 PolarHBondContact O-N 3.41Å; Q215-H217 PolarHBondContact O-N 2.86Å; Q215-L218 PolarHBondContact O-N 3.41Å; Q215-L219 WeakPolarHBondContact O-CG 3.34Å; Q215-L219 PolarHBondContact O-N 3.45Å; Q215-Y250 HydrophobicContact CB-CE1 4.1Å; Q215-Y250 PolarHBondContact OE1-OH 3.27Å
216H87.5Confident85.1Confident51 Ų5141.7 Ų41.724%0.23622%0.216CC..Hα-helixtrans-61-41175.5-76.385.3000113.1Q212 A213 E214 L218 L219 R220 N249 Y250Q212-H216 PolarHBondContact O-N 3.32Å; Q212-H216 PolarHBondContact O-ND1 3.12Å; A213-H216 PolarHBondContact O-N 3.4Å; E214-H216 VanDerWaalsContact C-N 3.3Å; E214-H216 PolarHBondContact O-N 3.11Å; H216-L218 VanDerWaalsContact C-N 3.32Å; H216-L218 PolarHBondContact O-N 3Å; H216-L219 PolarHBondContact O-N 3.05Å; H216-R220 WeakPolarHBondContact O-CB 3.42Å; H216-R220 PolarHBondContact O-N 3.16Å; H216-N249 PolarHBondContact NE2-O 2.98Å; H216-Y250 AromaticContact CE1-CD1 3.78Å; H216-Y250 AromaticContact CE1-CE1 3.28Å; H216-Y250 WeakPolarHBondContact CE1-CE1 3.46Å; H216-Y250 AromaticContact ND1-CE1 3.49Å; H216-Y250 WeakPolarHBondContact ND1-CE1 3.28Å; H216-Y250 AromaticContact NE2-CD1 3.89Å; H216-Y250 AromaticContact NE2-CE1 3.87Å
217H88.6Confident85.1Confident73 Ų7346.4 Ų46.434%0.33823%0.232SC..Hα-helixtrans-65.7-37.3177.6-67.496.7000111.6L182 R183 A213 E214 Q215 R220 L221L182-H217 HydrophobicContact CB-CB 4.14Å; R183-H217 VanDerWaalsContact CA-CD2 3.46Å; R183-H217 WeakPolarHBondContact CA-CD2 3.11Å; R183-H217 WeakPolarHBondContact CB-CD2 3.39Å; R183-H217 WeakPolarHBondContact CB-NE2 3.32Å; A213-H217 PolarHBondContact O-CE1 3.39Å; A213-H217 PolarHBondContact O-N 3.33Å; A213-H217 PolarHBondContact O-ND1 3.03Å; E214-H217 PolarHBondContact O-N 3.21Å; Q215-H217 PolarHBondContact O-N 2.86Å; H217-R220 PolarHBondContact O-N 3.15Å; H217-L221 PolarHBondContact O-N 3.14Å
218L88.1Confident85.1Confident1 Ų152 Ų521%0.00525%0.253CS..Hα-helixtrans-68.7-42.5175.3-174.861.9000112L182 L203 M207 L210 E214 Q215 H216 R220 L221 F222L182-L218 HydrophobicContact CD2-CD1 4.33Å; L203-L218 HydrophobicContact CB-CD1 4.1Å; L203-L218 WeakPolarHBondContact O-CD2 3.4Å; M207-L218 HydrophobicContact CB-CD2 4.03Å; M207-L218 HydrophobicContact CE-CB 4.16Å; M207-L218 HydrophobicContact CE-CD2 3.96Å; M207-L218 HydrophobicContact CE-CG 4.16Å; M207-L218 HydrophobicContact CG-CD2 4.17Å; M207-L218 HydrophobicContact SD-CD2 3.88Å; L210-L218 HydrophobicContact CD1-CD2 4.12Å; E214-L218 PolarHBondContact O-N 3.4Å; E214-L218 VanDerWaalsContact O-N 3.11Å; Q215-L218 PolarHBondContact O-N 3.41Å; H216-L218 VanDerWaalsContact C-N 3.32Å; H216-L218 PolarHBondContact O-N 3Å; L218-R220 VanDerWaalsContact C-N 3.28Å; L218-R220 PolarHBondContact O-N 3.12Å; L218-L221 HydrophobicContact CD1-CD2 4.26Å; L218-L221 WeakPolarHBondContact O-CB 3.26Å; L218-L221 PolarHBondContact O-N 3.07Å; L218-L221 VanDerWaalsContact O-N 3.13Å; L218-F222 HydrophobicContact CD1-CE1 3.94Å; L218-F222 HydrophobicContact CD1-CE2 4.41Å; L218-F222 HydrophobicContact CD1-CZ 3.74Å; L218-F222 HydrophobicContact CD2-CE2 4.29Å; L218-F222 HydrophobicContact CD2-CZ 4.05Å; L218-F222 HydrophobicContact CG-CE1 4.29Å; L218-F222 HydrophobicContact CG-CE2 3.86Å; L218-F222 HydrophobicContact CG-CZ 3.65Å; L218-F222 PolarHBondContact O-N 3.08Å
219L87.9Confident84.9Confident3 Ų355 Ų552%0.01625%0.25CS..Hα-helixtrans-60.1-39.8172.2-70.1174.5000111.5M207 Q215 H216 L221 F222 Q223 L241 Y250 I253 I254 I257M207-L219 HydrophobicContact CE-CD1 4.37Å; M207-L219 HydrophobicContact CE-CD2 3.51Å; M207-L219 HydrophobicContact CE-CG 3.49Å; M207-L219 VanDerWaalsContact CE-CG 3.49Å; Q215-L219 WeakPolarHBondContact O-CG 3.34Å; Q215-L219 PolarHBondContact O-N 3.45Å; H216-L219 PolarHBondContact O-N 3.05Å; L219-L221 VanDerWaalsContact C-N 3.31Å; L219-L221 PolarHBondContact O-N 3.32Å; L219-F222 HydrophobicContact CD2-CD2 4.36Å; L219-F222 PolarHBondContact O-N 2.68Å; L219-Q223 PolarHBondContact O-N 3.48Å; L219-L241 HydrophobicContact CD2-CD2 3.51Å; L219-Y250 HydrophobicContact CD1-CD1 3.42Å; L219-Y250 VanDerWaalsContact CD1-CD1 3.42Å; L219-Y250 HydrophobicContact CD1-CE1 4.24Å; L219-Y250 HydrophobicContact CD1-CG 3.88Å; L219-I253 HydrophobicContact CB-CG2 3.83Å; L219-I254 HydrophobicContact CD1-CG1 4.38Å; L219-I254 HydrophobicContact CD2-CG1 3.99Å; L219-I257 HydrophobicContact CD2-CD1 4.45Å
220R88.6Confident84.2Confident117 Ų11750 Ų5044%0.44223%0.227SC..Hα-helixtrans-63-38.4175.1-176.156.8175-159.7-6.3111.9P186 H216 H217 L218 Q223 I224P186-R220 HydrophobicContact CB-CG 4.47Å; P186-R220 HydrophobicContact CG-CG 4.39Å; H216-R220 WeakPolarHBondContact O-CB 3.42Å; H216-R220 PolarHBondContact O-N 3.16Å; H217-R220 PolarHBondContact O-N 3.15Å; L218-R220 VanDerWaalsContact C-N 3.28Å; L218-R220 PolarHBondContact O-N 3.12Å; R220-Q223 WeakPolarHBondContact O-CB 3.3Å; R220-Q223 PolarHBondContact O-N 2.74Å; R220-I224 WeakPolarHBondContact O-CG1 3.4Å; R220-I224 PolarHBondContact O-N 3.16Å
221L88.4Confident83.3Confident1 Ų150.4 Ų50.41%0.00523%0.23CC..Hα-helixtrans-59.8-49.717217864.5000110.5L185 P186 Y189 I196 L200 L203 H217 L218 L219 Q223 I224 V225L185-L221 HydrophobicContact CB-CD1 4.29Å; L185-L221 HydrophobicContact CB-CD2 4.05Å; L185-L221 HydrophobicContact CD1-CD2 4.14Å; P186-L221 HydrophobicContact CG-CB 4.28Å; Y189-L221 HydrophobicContact CD2-CD1 4.12Å; Y189-L221 HydrophobicContact CG-CD1 3.98Å; I196-L221 HydrophobicContact CG2-CD1 4.34Å; I196-L221 HydrophobicContact CG2-CD2 4.02Å; L200-L221 HydrophobicContact CD2-CD2 4.3Å; L203-L221 HydrophobicContact CD1-CD2 4.25Å; H217-L221 PolarHBondContact O-N 3.14Å; L218-L221 HydrophobicContact CD1-CD2 4.26Å; L218-L221 WeakPolarHBondContact O-CB 3.26Å; L218-L221 PolarHBondContact O-N 3.07Å; L218-L221 VanDerWaalsContact O-N 3.13Å; L219-L221 VanDerWaalsContact C-N 3.31Å; L219-L221 PolarHBondContact O-N 3.32Å; L221-Q223 VanDerWaalsContact C-N 3.26Å; L221-Q223 PolarHBondContact O-N 3.44Å; L221-I224 PolarHBondContact O-N 3.22Å; L221-V225 HydrophobicContact CD1-CG2 4.43Å; L221-V225 HydrophobicContact CG-CG2 4.36Å; L221-V225 VanDerWaalsContact O-CG2 3.29Å; L221-V225 WeakPolarHBondContact O-CG2 3.43Å; L221-V225 PolarHBondContact O-N 3.07Å
222F87Confident82.4Confident3 Ų348 Ų481%0.01323%0.232CC..Hα-helixtrans-59.7-35.2178.2-61.8-27.1000113.3L200 V204 M207 L218 L219 I224 V225 A226 L241 I257L200-F222 HydrophobicContact CD2-CD1 4.37Å; L200-F222 HydrophobicContact CD2-CE1 4.09Å; V204-F222 HydrophobicContact CB-CZ 4.29Å; V204-F222 HydrophobicContact CG2-CE1 3.77Å; V204-F222 HydrophobicContact CG2-CE2 4.24Å; V204-F222 HydrophobicContact CG2-CZ 3.33Å; M207-F222 HydrophobicContact CE-CE2 4.38Å; M207-F222 HydrophobicContact SD-CE2 4.02Å; L218-F222 HydrophobicContact CD1-CE1 3.94Å; L218-F222 HydrophobicContact CD1-CE2 4.41Å; L218-F222 HydrophobicContact CD1-CZ 3.74Å; L218-F222 HydrophobicContact CD2-CE2 4.29Å; L218-F222 HydrophobicContact CD2-CZ 4.05Å; L218-F222 HydrophobicContact CG-CE1 4.29Å; L218-F222 HydrophobicContact CG-CE2 3.86Å; L218-F222 HydrophobicContact CG-CZ 3.65Å; L218-F222 PolarHBondContact O-N 3.08Å; L219-F222 HydrophobicContact CD2-CD2 4.36Å; L219-F222 PolarHBondContact O-N 2.68Å; F222-I224 VanDerWaalsContact C-N 3.33Å; F222-I224 PolarHBondContact O-N 2.53Å; F222-V225 PolarHBondContact O-N 3.34Å; F222-A226 VanDerWaalsContact O-CB 3.32Å; F222-A226 WeakPolarHBondContact O-CB 3.21Å; F222-A226 PolarHBondContact O-N 3.46Å; F222-L241 HydrophobicContact CD2-CD2 4.12Å; F222-L241 HydrophobicContact CE2-CD2 4.43Å; F222-I257 HydrophobicContact CB-CD1 3.97Å
223Q86.8Confident81.4Confident14 Ų1445 Ų457%0.06522%0.22CC..Hα-helixtrans-62.2-39.8173.4-167.1-175.727.900112.5L219 R220 L221 R227 S256 I257L219-Q223 PolarHBondContact O-N 3.48Å; R220-Q223 WeakPolarHBondContact O-CB 3.3Å; R220-Q223 PolarHBondContact O-N 2.74Å; L221-Q223 VanDerWaalsContact C-N 3.26Å; L221-Q223 PolarHBondContact O-N 3.44Å; Q223-R227 WeakPolarHBondContact O-CG 3.44Å; Q223-R227 PolarHBondContact O-N 3.22Å; Q223-R227 VanDerWaalsContact O-N 3.1Å; Q223-S256 PolarHBondContact NE2-OG 3.46Å; Q223-I257 HydrophobicContact CB-CD1 4.42Å; Q223-I257 HydrophobicContact CB-CG1 3.82Å; Q223-I257 HydrophobicContact CG-CG1 4.21Å
224I86.1Confident80.7Confident15 Ų1543.2 Ų43.28%0.07721%0.205CC..Hα-helixtrans-70.7-40.8176.6-59.9174.5000110.6P186 Y189 E190 R220 L221 F222 A226 R227 R228P186-I224 HydrophobicContact CB-CD1 3.61Å; P186-I224 WeakPolarHBondContact O-CD1 3.44Å; Y189-I224 HydrophobicContact CD1-CB 4.29Å; Y189-I224 HydrophobicContact CD1-CG2 3.5Å; Y189-I224 VanDerWaalsContact CD1-CG2 3.5Å; Y189-I224 HydrophobicContact CE1-CG2 3.97Å; E190-I224 HydrophobicContact CG-CG2 4.31Å; R220-I224 WeakPolarHBondContact O-CG1 3.4Å; R220-I224 PolarHBondContact O-N 3.16Å; L221-I224 PolarHBondContact O-N 3.22Å; F222-I224 VanDerWaalsContact C-N 3.33Å; F222-I224 PolarHBondContact O-N 2.53Å; I224-A226 VanDerWaalsContact C-N 3.32Å; I224-A226 PolarHBondContact O-N 3.27Å; I224-R227 PolarHBondContact O-N 2.64Å; I224-R228 PolarHBondContact O-N 3.23Å; I224-R228 VanDerWaalsContact O-N 3.15Å
225V85.1Confident80.1Confident0 Ų047.1 Ų47.10%022%0.222CC..Hα-helixtrans-59-45.6174.7-178.20000110.3Y189 L200 L221 F222 R227 R228 K229 E230 L234Y189-V225 HydrophobicContact CD2-CG2 4.16Å; Y189-V225 HydrophobicContact CE1-CB 4.41Å; Y189-V225 HydrophobicContact CE1-CG2 4.04Å; Y189-V225 HydrophobicContact CE2-CG2 3.64Å; Y189-V225 WeakPolarHBondContact OH-CA 3.46Å; L200-V225 HydrophobicContact CD1-CG1 4.09Å; L200-V225 HydrophobicContact CD1-CG2 4.32Å; L200-V225 HydrophobicContact CD2-CG2 4.31Å; L221-V225 HydrophobicContact CD1-CG2 4.43Å; L221-V225 HydrophobicContact CG-CG2 4.36Å; L221-V225 VanDerWaalsContact O-CG2 3.29Å; L221-V225 WeakPolarHBondContact O-CG2 3.43Å; L221-V225 PolarHBondContact O-N 3.07Å; F222-V225 PolarHBondContact O-N 3.34Å; V225-R227 VanDerWaalsContact C-N 3.33Å; V225-R227 PolarHBondContact O-N 3.28Å; V225-R228 PolarHBondContact O-N 3.31Å; V225-R228 VanDerWaalsContact O-N 3.1Å; V225-K229 PolarHBondContact O-N 3.46Å; V225-E230 HydrophobicContact CG1-CB 4.33Å; V225-L234 HydrophobicContact CB-CD1 4.03Å; V225-L234 HydrophobicContact CG1-CD1 3.48Å; V225-L234 VanDerWaalsContact CG1-CD1 3.48Å; V225-L234 HydrophobicContact CG1-CG 4.15Å
226A84.1Confident79.3Confident0 Ų050.8 Ų50.80%024%0.239CC..Hα-helixtrans-62.2-39.3178.800000112F222 I224 R228 K229 L234 I257 E260 I261 Y264F222-A226 VanDerWaalsContact O-CB 3.32Å; F222-A226 WeakPolarHBondContact O-CB 3.21Å; F222-A226 PolarHBondContact O-N 3.46Å; I224-A226 VanDerWaalsContact C-N 3.32Å; I224-A226 PolarHBondContact O-N 3.27Å; A226-R228 VanDerWaalsContact C-N 3.3Å; A226-R228 PolarHBondContact O-N 3.05Å; A226-K229 PolarHBondContact O-N 3.41Å; A226-L234 HydrophobicContact CB-CD1 4.05Å; A226-I257 HydrophobicContact CB-CG2 4.08Å; A226-E260 HydrophobicContact CB-CB 4.24Å; A226-I261 HydrophobicContact CB-CG1 4.22Å; A226-Y264 VanDerWaalsContact O-CE1 3.24Å; A226-Y264 WeakPolarHBondContact O-CE1 3.11Å; A226-Y264 PolarHBondContact O-OH 3.46Å; A226-Y264 VanDerWaalsContact O-OH 3.06Å
227R83.4Confident78.6Confident129 Ų12948.6 Ų48.649%0.48723%0.229SC..Hα-helixtrans-64.6-29.7174.7-75.8177.1-178.1-177.11.2113.4Q223 I224 V225 K229 E260Q223-R227 WeakPolarHBondContact O-CG 3.44Å; Q223-R227 PolarHBondContact O-N 3.22Å; Q223-R227 VanDerWaalsContact O-N 3.1Å; I224-R227 PolarHBondContact O-N 2.64Å; V225-R227 VanDerWaalsContact C-N 3.33Å; V225-R227 PolarHBondContact O-N 3.28Å; R227-K229 VanDerWaalsContact C-N 3.3Å; R227-E260 HydrophobicContact CG-CG 4.02Å
228R79.4Confident78.3Confident121 Ų12145.2 Ų45.246%0.45721%0.214SC..THydrogen-bonded Turntrans-84.21.1177.5-70.3-141.5177.1-164.74.9114.5Y189 E190 I224 V225 A226 E230Y189-R228 HydrophobicContact CE1-CB 4.3Å; Y189-R228 HydrophobicContact CE1-CG 4.08Å; E190-R228 PolarHBondContact O-NH2 3.33Å; I224-R228 PolarHBondContact O-N 3.23Å; I224-R228 VanDerWaalsContact O-N 3.15Å; V225-R228 PolarHBondContact O-N 3.31Å; V225-R228 VanDerWaalsContact O-N 3.1Å; A226-R228 VanDerWaalsContact C-N 3.3Å; A226-R228 PolarHBondContact O-N 3.05Å; R228-E230 VanDerWaalsContact C-N 3.26Å; R228-E230 PolarHBondContact O-N 3.26Å
229K74.2Confident78Confident143 Ų14347.9 Ų47.962%0.62223%0.231SC*.THydrogen-bonded Turntrans62.626.1177-50.3-177.8178.7-178.50114.2V225 A226 R227 L231 Y264V225-K229 PolarHBondContact O-N 3.46Å; A226-K229 PolarHBondContact O-N 3.41Å; R227-K229 VanDerWaalsContact C-N 3.3Å; K229-L231 PolarHBondContact O-N 3.13Å; K229-L231 VanDerWaalsContact O-N 3.14Å; K229-Y264 HydrophobicContact CB-CE1 4.49Å; K229-Y264 HydrophobicContact CD-CD1 4.41Å; K229-Y264 HydrophobicContact CG-CD1 3.89Å; K229-Y264 HydrophobicContact CG-CE1 4.05Å; K229-Y264 HydrophobicContact CG-CG 4.34Å
230E68.1Low77.5Confident57 Ų5749.8 Ų49.827%0.26624%0.239SC..  trans-88.276176.7-68.5-176.1168.900110.8Y189 N197 V225 R228 G232Y189-E230 PolarHBondContact OH-OE2 3.29Å; N197-E230 VanDerWaalsContact CG-OE2 3.23Å; N197-E230 PolarHBondContact ND2-OE2 2.97Å; N197-E230 PolarHBondContact OD1-OE2 3.03Å; N197-E230 VanDerWaalsContact OD1-OE2 3.09Å; V225-E230 HydrophobicContact CG1-CB 4.33Å; R228-E230 VanDerWaalsContact C-N 3.26Å; R228-E230 PolarHBondContact O-N 3.26Å; E230-G232 PolarHBondContact O-N 3.13Å
231L63.1Low77.2Confident31 Ų3144.2 Ų44.216%0.16222%0.218CC..Hα-helixtrans-70.8-21.3-170.6-98.2148.3000116.8K229 V233 L234 K235 I261 Y264 E265K229-L231 PolarHBondContact O-N 3.13Å; K229-L231 VanDerWaalsContact O-N 3.14Å; L231-V233 VanDerWaalsContact C-N 3.31Å; L231-V233 PolarHBondContact O-N 3.17Å; L231-L234 PolarHBondContact O-N 3.03Å; L231-K235 HydrophobicContact CD2-CG 4.16Å; L231-K235 PolarHBondContact O-N 3Å; L231-I261 HydrophobicContact CD2-CG2 4.5Å; L231-Y264 HydrophobicContact CD1-CD2 3.29Å; L231-Y264 HydrophobicContact CD1-CE2 3.11Å; L231-Y264 HydrophobicContact CD2-CE2 3.75Å; L231-Y264 HydrophobicContact CG-CD2 4.08Å; L231-Y264 HydrophobicContact CG-CE2 3.35Å; L231-E265 HydrophobicContact CD1-CB 3.81Å; L231-E265 WeakPolarHBondContact CD1-OE2 3.29Å; L231-E265 HydrophobicContact CD2-CB 4.16Å; L231-E265 WeakPolarHBondContact CD2-OE2 3.42Å; L231-E265 WeakPolarHBondContact CG-OE2 3.37Å
232G66.8Low76.9Confident64 Ų6444.4 Ų44.466%0.6622%0.219SC*.Hα-helixtrans-53.5-45.8-167.500000113.3E230E230-G232 PolarHBondContact O-N 3.13Å
233V62.3Low76.6Confident38 Ų3853.5 Ų53.523%0.2325%0.253CS..Hα-helixtrans-92.7-26.2-178.6-167.90000112.3L200 R201 L231 K235 E236 C237L200-V233 HydrophobicContact CB-CB 4.13Å; L200-V233 HydrophobicContact CB-CG1 3.56Å; L200-V233 HydrophobicContact CB-CG2 4.47Å; L200-V233 HydrophobicContact CD1-CB 4.11Å; L200-V233 HydrophobicContact CD1-CG1 4.42Å; L200-V233 HydrophobicContact CD1-CG2 4.44Å; R201-V233 HydrophobicContact CB-CG1 4.41Å; L231-V233 VanDerWaalsContact C-N 3.31Å; L231-V233 PolarHBondContact O-N 3.17Å; V233-K235 VanDerWaalsContact C-N 3.32Å; V233-K235 PolarHBondContact O-N 3.29Å; V233-E236 PolarHBondContact O-N 3.03Å; V233-C237 PolarHBondContact O-SG 3.3Å
234L68.6Low76.3Confident3 Ų355.5 Ų55.52%0.01626%0.262CS..Hα-helixtrans-64.1-33.5-179.8-97.7155.9000113V225 A226 L231 E236 C237 I238 I257 I261V225-L234 HydrophobicContact CB-CD1 4.03Å; V225-L234 HydrophobicContact CG1-CD1 3.48Å; V225-L234 VanDerWaalsContact CG1-CD1 3.48Å; V225-L234 HydrophobicContact CG1-CG 4.15Å; A226-L234 HydrophobicContact CB-CD1 4.05Å; L231-L234 PolarHBondContact O-N 3.03Å; L234-E236 VanDerWaalsContact C-N 3.29Å; L234-E236 PolarHBondContact O-N 3.06Å; L234-C237 WeakPolarHBondContact O-CA 3.35Å; L234-C237 VanDerWaalsContact O-CB 3.28Å; L234-C237 WeakPolarHBondContact O-CB 3.41Å; L234-C237 PolarHBondContact O-N 3.46Å; L234-I238 WeakPolarHBondContact O-CG1 3.42Å; L234-I238 PolarHBondContact O-N 3.25Å; L234-I238 VanDerWaalsContact O-N 3.16Å; L234-I257 HydrophobicContact CD2-CG2 4.48Å; L234-I261 HydrophobicContact CD2-CD1 4.23Å
235K71.9Confident76Confident98 Ų9854.8 Ų54.843%0.42626%0.259SS..Hα-helixtrans-56.5-41.6177.7-75-177.5177.9-175.40113L231 V233 C237 I238 P239 E265L231-K235 HydrophobicContact CD2-CG 4.16Å; L231-K235 PolarHBondContact O-N 3Å; V233-K235 VanDerWaalsContact C-N 3.32Å; V233-K235 PolarHBondContact O-N 3.29Å; K235-C237 PolarHBondContact O-N 3.38Å; K235-I238 PolarHBondContact O-N 3.39Å; K235-P239 WeakPolarHBondContact O-CD 3.42Å; K235-E265 WeakPolarHBondContact CE-OE1 3.22Å; K235-E265 WeakPolarHBondContact CE-OE2 3.36Å; K235-E265 IonicContact NZ-OE1 3.48Å; K235-E265 PolarHBondContact NZ-OE1 2.55Å; K235-E265 IonicContact NZ-OE2 2.73Å; K235-E265 PolarHBondContact NZ-OE2 3.27Å
236E69.7Low75.5Confident104 Ų10456.9 Ų56.949%0.48628%0.281SS..Hα-helixtrans-68.7-21.4177.3-62.9-178.8177.800112.1R201 V233 L234R201-E236 IonicContact CZ-OE1 2.73Å; R201-E236 IonicContact CZ-OE2 3.75Å; R201-E236 VanDerWaalsContact CZ-OE2 3.29Å; R201-E236 IonicContact NE-OE1 3.95Å; R201-E236 IonicContact NE-OE2 3.15Å; R201-E236 PolarHBondContact NE-OE2 3.1Å; R201-E236 VanDerWaalsContact NH2-CD 3.29Å; R201-E236 IonicContact NH2-OE1 2.67Å; R201-E236 PolarHBondContact NH2-OE1 3.26Å; R201-E236 IonicContact NH2-OE2 3.53Å; R201-E236 PolarHBondContact NH2-OE2 2.95Å; V233-E236 PolarHBondContact O-N 3.03Å; L234-E236 VanDerWaalsContact C-N 3.29Å; L234-E236 PolarHBondContact O-N 3.06Å
237C73.6Confident75.3Confident5 Ų559.5 Ų59.53%0.03429%0.294CS..Hα-helixtrans-86.7-22.7-179.5-51.60000113V204 V233 L234 K235 F240 L241V204-C237 HydrophobicContact CG2-CB 4.43Å; V204-C237 WeakPolarHBondContact CG2-SG 3.42Å; V233-C237 PolarHBondContact O-SG 3.3Å; L234-C237 WeakPolarHBondContact O-CA 3.35Å; L234-C237 VanDerWaalsContact O-CB 3.28Å; L234-C237 WeakPolarHBondContact O-CB 3.41Å; L234-C237 PolarHBondContact O-N 3.46Å; K235-C237 PolarHBondContact O-N 3.38Å; C237-F240 WeakPolarHBondContact O-CB 3.32Å; C237-F240 PolarHBondContact O-N 2.93Å; C237-F240 VanDerWaalsContact O-N 3.09Å; C237-L241 WeakPolarHBondContact O-CG 3.19Å; C237-L241 PolarHBondContact O-N 2.91Å
238I81.5Confident75Confident3 Ų357.2 Ų57.22%0.01530%0.296CS..Hα-helixtrans-56.1-50.3-176.6-64.2170.3000111.8L234 K235 F240 L241 M242 F258 I261 A268 L269 F272L234-I238 WeakPolarHBondContact O-CG1 3.42Å; L234-I238 PolarHBondContact O-N 3.25Å; L234-I238 VanDerWaalsContact O-N 3.16Å; K235-I238 PolarHBondContact O-N 3.39Å; I238-F240 PolarHBondContact O-N 2.96Å; I238-L241 PolarHBondContact O-N 3.17Å; I238-M242 HydrophobicContact CG2-CE 4.29Å; I238-M242 HydrophobicContact CG2-CG 4.26Å; I238-M242 WeakPolarHBondContact O-CB 3.31Å; I238-M242 WeakPolarHBondContact O-CG 3.37Å; I238-M242 PolarHBondContact O-N 3.14Å; I238-F258 HydrophobicContact CG2-CE1 4.18Å; I238-I261 HydrophobicContact CG1-CD1 4.42Å; I238-A268 HydrophobicContact CD1-CB 3.88Å; I238-L269 HydrophobicContact CD1-CD2 4.31Å; I238-L269 HydrophobicContact CG2-CD2 4.06Å; I238-F272 HydrophobicContact CB-CE2 4.36Å; I238-F272 HydrophobicContact CG2-CD2 3.62Å; I238-F272 HydrophobicContact CG2-CE2 3.41Å; I238-F272 VanDerWaalsContact CG2-CE2 3.41Å; I238-F272 HydrophobicContact CG2-CG 4.38Å; I238-F272 HydrophobicContact CG2-CZ 4.02Å
239P81.9Confident75Confident57 Ų5755.6 Ų55.637%0.3730%0.297SS..Hα-helixtrans-60.2-32.3178.5-1929.1000113.1K235 R243 F272K235-P239 WeakPolarHBondContact O-CD 3.42Å; P239-R243 PolarHBondContact O-N 3.08Å; P239-F272 HydrophobicContact CB-CE1 4.43Å; P239-F272 HydrophobicContact CB-CZ 4.32Å; P239-F272 HydrophobicContact CG-CZ 3.98Å
240F77.9Confident75.3Confident42 Ų4249.3 Ų49.318%0.18427%0.269CS..Hα-helixtrans-71.6-50.5178.4-177.7-85.9000111.1V204 M207 C237 I238 M242 R243 H244V204-F240 HydrophobicContact CG1-CD1 4.35Å; V204-F240 HydrophobicContact CG1-CG 4.35Å; M207-F240 HydrophobicContact CB-CE1 3.7Å; M207-F240 HydrophobicContact CB-CZ 3.62Å; M207-F240 HydrophobicContact CG-CE1 3.55Å; M207-F240 HydrophobicContact CG-CZ 3.82Å; M207-F240 HydrophobicContact SD-CD1 4.17Å; M207-F240 HydrophobicContact SD-CE1 3.42Å; M207-F240 WeakPolarHBondContact SD-CE1 3.09Å; M207-F240 HydrophobicContact SD-CZ 4.29Å; C237-F240 WeakPolarHBondContact O-CB 3.32Å; C237-F240 PolarHBondContact O-N 2.93Å; C237-F240 VanDerWaalsContact O-N 3.09Å; I238-F240 PolarHBondContact O-N 2.96Å; F240-M242 PolarHBondContact O-N 2.93Å; F240-R243 WeakPolarHBondContact O-CB 3.41Å; F240-R243 PolarHBondContact O-N 2.82Å; F240-R243 VanDerWaalsContact O-N 3.09Å; F240-H244 AromaticContact CD1-CD2 3.88Å; F240-H244 AromaticContact CE1-CD2 3.34Å; F240-H244 WeakPolarHBondContact CE1-CD2 3.49Å; F240-H244 AromaticContact CE1-NE2 3.39Å; F240-H244 WeakPolarHBondContact CE1-NE2 3.45Å; F240-H244 AromaticContact CE2-NE2 3.77Å; F240-H244 AromaticContact CZ-CD2 3.61Å; F240-H244 AromaticContact CZ-NE2 3.11Å; F240-H244 WeakPolarHBondContact CZ-NE2 3.48Å; F240-H244 PolarHBondContact O-CD2 3.23Å
241L81.6Confident76Confident1 Ų146.9 Ų46.91%0.00526%0.258CS..Hα-helixtrans-58.9-35.5177.1-68176000112L219 F222 C237 I238 R243 H244 L245 I254 I257 F258L219-L241 HydrophobicContact CD2-CD2 3.51Å; F222-L241 HydrophobicContact CD2-CD2 4.12Å; F222-L241 HydrophobicContact CE2-CD2 4.43Å; C237-L241 WeakPolarHBondContact O-CG 3.19Å; C237-L241 PolarHBondContact O-N 2.91Å; I238-L241 PolarHBondContact O-N 3.17Å; L241-R243 VanDerWaalsContact C-N 3.33Å; L241-R243 PolarHBondContact O-N 2.79Å; L241-H244 PolarHBondContact O-N 3.03Å; L241-H244 VanDerWaalsContact O-N 3.14Å; L241-L245 PolarHBondContact O-N 3.34Å; L241-L245 VanDerWaalsContact O-N 3.15Å; L241-I254 HydrophobicContact CB-CG2 4.23Å; L241-I254 HydrophobicContact CD2-CG1 4.47Å; L241-I257 HydrophobicContact CD1-CG2 4.27Å; L241-F258 HydrophobicContact CB-CE1 4.01Å; L241-F258 HydrophobicContact CB-CZ 3.58Å; L241-F258 HydrophobicContact CD1-CE1 4.1Å; L241-F258 HydrophobicContact CD1-CZ 4.46Å
242M82.2Confident77Confident4 Ų449.5 Ų49.52%0.0227%0.273CS..Hα-helixtrans-61.6-36.7176.3-75.8-62.5170.600113.1I238 F240 H244 L245 F258 L269 F272 M275 L276I238-M242 HydrophobicContact CG2-CE 4.29Å; I238-M242 HydrophobicContact CG2-CG 4.26Å; I238-M242 WeakPolarHBondContact O-CB 3.31Å; I238-M242 WeakPolarHBondContact O-CG 3.37Å; I238-M242 PolarHBondContact O-N 3.14Å; F240-M242 PolarHBondContact O-N 2.93Å; M242-H244 VanDerWaalsContact C-N 3.26Å; M242-H244 PolarHBondContact O-N 3.44Å; M242-L245 WeakPolarHBondContact O-CB 3.4Å; M242-L245 PolarHBondContact O-N 3.11Å; M242-L245 HydrophobicContact SD-CD2 4.08Å; M242-F258 HydrophobicContact CE-CD1 4.06Å; M242-F258 HydrophobicContact CE-CD2 3.43Å; M242-F258 VanDerWaalsContact CE-CD2 3.43Å; M242-F258 HydrophobicContact CE-CE1 3.75Å; M242-F258 HydrophobicContact CE-CE2 3.03Å; M242-F258 HydrophobicContact CE-CG 3.94Å; M242-F258 HydrophobicContact CE-CZ 3.23Å; M242-F258 HydrophobicContact CG-CE2 4.24Å; M242-F258 HydrophobicContact CG-CZ 3.9Å; M242-F258 HydrophobicContact SD-CD2 4.26Å; M242-F258 HydrophobicContact SD-CE2 3.42Å; M242-F258 WeakPolarHBondContact SD-CE2 3.38Å; M242-F258 HydrophobicContact SD-CZ 3.7Å; M242-L269 HydrophobicContact CE-CD2 4.13Å; M242-F272 HydrophobicContact CB-CD1 4.37Å; M242-F272 HydrophobicContact CE-CB 3.73Å; M242-F272 HydrophobicContact CE-CG 4.15Å; M242-F272 HydrophobicContact CG-CB 4.25Å; M242-F272 HydrophobicContact CG-CD1 3.77Å; M242-F272 HydrophobicContact CG-CE1 4.3Å; M242-F272 HydrophobicContact CG-CG 3.97Å; M242-F272 HydrophobicContact SD-CB 4.07Å; M242-F272 HydrophobicContact SD-CG 4.44Å; M242-M275 HydrophobicContact CB-SD 3.71Å; M242-M275 HydrophobicContact CG-SD 4.47Å; M242-M275 HydrophobicContact SD-SD 4.48Å; M242-L276 HydrophobicContact CE-CD1 4.34Å; M242-L276 HydrophobicContact CE-CD2 4.24Å; M242-L276 HydrophobicContact CE-CG 4.29Å; M242-L276 HydrophobicContact SD-CD2 4.43Å
243R81.1Confident77.9Confident194 Ų19448.7 Ų48.773%0.73225%0.253SS*.Hα-helixtrans-65.4-29.8175.2-67.9177.8-173.8160.61.9113P239 F240 L241P239-R243 PolarHBondContact O-N 3.08Å; F240-R243 WeakPolarHBondContact O-CB 3.41Å; F240-R243 PolarHBondContact O-N 2.82Å; F240-R243 VanDerWaalsContact O-N 3.09Å; L241-R243 VanDerWaalsContact C-N 3.33Å; L241-R243 PolarHBondContact O-N 2.79Å
244H79.1Confident79.1Confident56 Ų5646.9 Ų46.926%0.25924%0.242SC..Hα-helixtrans-90.6-5.5-179.5-69.5-74.7000113.5F240 L241 M242 G246 D247 I254F240-H244 AromaticContact CD1-CD2 3.88Å; F240-H244 AromaticContact CE1-CD2 3.34Å; F240-H244 WeakPolarHBondContact CE1-CD2 3.49Å; F240-H244 AromaticContact CE1-NE2 3.39Å; F240-H244 WeakPolarHBondContact CE1-NE2 3.45Å; F240-H244 AromaticContact CE2-NE2 3.77Å; F240-H244 AromaticContact CZ-CD2 3.61Å; F240-H244 AromaticContact CZ-NE2 3.11Å; F240-H244 WeakPolarHBondContact CZ-NE2 3.48Å; F240-H244 PolarHBondContact O-CD2 3.23Å; L241-H244 PolarHBondContact O-N 3.03Å; L241-H244 VanDerWaalsContact O-N 3.14Å; M242-H244 VanDerWaalsContact C-N 3.26Å; M242-H244 PolarHBondContact O-N 3.44Å; H244-G246 PolarHBondContact O-N 3Å; H244-D247 PolarHBondContact O-N 3.23Å; H244-I254 HydrophobicContact CB-CD1 3.89Å
245L80.6Confident79.9Confident0 Ų046.7 Ų46.70%024%0.241CC..THydrogen-bonded Turntrans-65.5-27.1-179.1-179.562.7000112.9L241 M242 D247 I254 L255 F258 L276 V279L241-L245 PolarHBondContact O-N 3.34Å; L241-L245 VanDerWaalsContact O-N 3.15Å; M242-L245 WeakPolarHBondContact O-CB 3.4Å; M242-L245 PolarHBondContact O-N 3.11Å; M242-L245 HydrophobicContact SD-CD2 4.08Å; L245-D247 PolarHBondContact O-N 2.83Å; L245-I254 HydrophobicContact CB-CG2 4.39Å; L245-I254 HydrophobicContact CD1-CB 4.23Å; L245-I254 HydrophobicContact CD1-CG2 3.87Å; L245-L255 HydrophobicContact CD1-CD1 4.3Å; L245-L255 HydrophobicContact CD1-CD2 3.84Å; L245-L255 HydrophobicContact CD1-CG 3.66Å; L245-L255 HydrophobicContact CD2-CD2 4.32Å; L245-F258 HydrophobicContact CD2-CE2 4.48Å; L245-L276 HydrophobicContact CD2-CD2 3.65Å; L245-V279 HydrophobicContact CD1-CG1 4.31Å; L245-V279 HydrophobicContact CD2-CB 4.15Å; L245-V279 HydrophobicContact CD2-CG1 4.08Å; L245-V279 HydrophobicContact CD2-CG2 3.77Å; L245-V279 HydrophobicContact CG-CB 4.35Å; L245-V279 HydrophobicContact CG-CG1 3.88Å; L245-V279 HydrophobicContact CG-CG2 3.86Å
246G75.3Confident80.7Confident45 Ų4543.4 Ų43.446%0.46423%0.23SC..THydrogen-bonded Turntrans-72.3-8.3176.700000114.8H244H244-G246 PolarHBondContact O-N 3Å
247D79Confident81.4Confident54 Ų5438.5 Ų38.529%0.28921%0.207SC..SBendtrans-88.1120.8175.6-172.7-27.3000110H244 L245 N249 Y250 S251H244-D247 PolarHBondContact O-N 3.23Å; L245-D247 PolarHBondContact O-N 2.83Å; D247-N249 PolarHBondContact O-N 2.84Å; D247-N249 VanDerWaalsContact O-N 3.08Å; D247-N249 WeakPolarHBondContact OD1-CB 3.41Å; D247-N249 PolarHBondContact OD1-N 3.18Å; D247-N249 PolarHBondContact OD1-ND2 3.17Å; D247-Y250 HydrophobicContact CB-CD2 3.82Å; D247-Y250 HydrophobicContact CB-CE2 4.41Å; D247-Y250 PolarHBondContact O-N 3.4Å; D247-Y250 VanDerWaalsContact O-N 3.14Å; D247-Y250 VanDerWaalsContact OD2-CE2 3.31Å; D247-Y250 WeakPolarHBondContact OD2-CE2 3.43Å; D247-S251 PolarHBondContact O-N 2.77Å; D247-S251 VanDerWaalsContact O-N 3.15Å
248P78Confident82.1Confident81 Ų8138.2 Ų38.253%0.52621%0.206SC..THydrogen-bonded Turntrans-61.8-18.5-178.325.9-35.3000113.8S251 F283P248-S251 PolarHBondContact O-OG 2.72Å; P248-F283 HydrophobicContact CB-CE1 4.18Å
249N77.9Confident82.3Confident87 Ų8738.8 Ų38.847%0.46521%0.209SC..THydrogen-bonded Turntrans-74.9-27.1178.6-61.7-65000113.1Q212 H216 D247Q212-N249 VanDerWaalsContact NE2-CG 3.25Å; Q212-N249 PolarHBondContact NE2-OD1 2.65Å; H216-N249 PolarHBondContact NE2-O 2.98Å; D247-N249 PolarHBondContact O-N 2.84Å; D247-N249 VanDerWaalsContact O-N 3.08Å; D247-N249 WeakPolarHBondContact OD1-CB 3.41Å; D247-N249 PolarHBondContact OD1-N 3.18Å; D247-N249 PolarHBondContact OD1-ND2 3.17Å
250Y81.8Confident82.5Confident12 Ų1237.6 Ų37.65%0.04720%0.199CC..THydrogen-bonded Turntrans-112.5-16.6-173.1-54.1-57.7000113.6Q212 Q215 H216 L219 D247 D252 I253 I254Q212-Y250 WeakPolarHBondContact CA-OH 3.5Å; Q212-Y250 WeakPolarHBondContact CG-OH 3.48Å; Q215-Y250 HydrophobicContact CB-CE1 4.1Å; Q215-Y250 PolarHBondContact OE1-OH 3.27Å; H216-Y250 AromaticContact CE1-CD1 3.78Å; H216-Y250 AromaticContact CE1-CE1 3.28Å; H216-Y250 WeakPolarHBondContact CE1-CE1 3.46Å; H216-Y250 AromaticContact ND1-CE1 3.49Å; H216-Y250 WeakPolarHBondContact ND1-CE1 3.28Å; H216-Y250 AromaticContact NE2-CD1 3.89Å; H216-Y250 AromaticContact NE2-CE1 3.87Å; L219-Y250 HydrophobicContact CD1-CD1 3.42Å; L219-Y250 VanDerWaalsContact CD1-CD1 3.42Å; L219-Y250 HydrophobicContact CD1-CE1 4.24Å; L219-Y250 HydrophobicContact CD1-CG 3.88Å; D247-Y250 HydrophobicContact CB-CD2 3.82Å; D247-Y250 HydrophobicContact CB-CE2 4.41Å; D247-Y250 PolarHBondContact O-N 3.4Å; D247-Y250 VanDerWaalsContact O-N 3.14Å; D247-Y250 VanDerWaalsContact OD2-CE2 3.31Å; D247-Y250 WeakPolarHBondContact OD2-CE2 3.43Å; Y250-D252 VanDerWaalsContact C-N 3.35Å; Y250-D252 PolarHBondContact O-N 2.94Å; Y250-I253 PolarHBondContact O-N 3.11Å; Y250-I253 VanDerWaalsContact O-N 3.14Å; Y250-I254 WeakPolarHBondContact O-CB 3.31Å; Y250-I254 VanDerWaalsContact O-CG1 3.32Å; Y250-I254 WeakPolarHBondContact O-CG1 3.28Å; Y250-I254 PolarHBondContact O-N 2.94Å
251S83Confident82.8Confident5 Ų535.6 Ų35.64%0.03519%0.19CC..Hα-helixtrans-54.4-44.2-17061.70000113.7D247 P248 I254 L255D247-S251 PolarHBondContact O-N 2.77Å; D247-S251 VanDerWaalsContact O-N 3.15Å; P248-S251 PolarHBondContact O-OG 2.72Å; S251-I254 PolarHBondContact O-N 3.42Å; S251-L255 WeakPolarHBondContact O-CB 3.49Å; S251-L255 VanDerWaalsContact O-CG 3.3Å; S251-L255 WeakPolarHBondContact O-CG 3.47Å; S251-L255 PolarHBondContact O-N 3.41Å
252D83.9Confident83Confident87 Ų8735.9 Ų35.947%0.46519%0.192SC..Hα-helixtrans-62.3-45.1177.5-84.5-44.7000113.4Y250 S256 L286 Q289Y250-D252 VanDerWaalsContact C-N 3.35Å; Y250-D252 PolarHBondContact O-N 2.94Å; D252-S256 WeakPolarHBondContact O-CB 3.28Å; D252-S256 PolarHBondContact O-N 2.93Å; D252-L286 WeakPolarHBondContact OD1-CD2 3.38Å; D252-Q289 PolarHBondContact OD1-NE2 3.36Å
253I85.2Confident83.1Confident46 Ų4643.6 Ų43.624%0.23622%0.221CC..Hα-helixtrans-71-41.1-178.3-60.9174000109.7L219 Y250 S256 I257L219-I253 HydrophobicContact CB-CG2 3.83Å; Y250-I253 PolarHBondContact O-N 3.11Å; Y250-I253 VanDerWaalsContact O-N 3.14Å; I253-S256 WeakPolarHBondContact O-CB 3.36Å; I253-S256 PolarHBondContact O-N 3.37Å; I253-I257 HydrophobicContact CG2-CD1 4.25Å; I253-I257 VanDerWaalsContact O-CG1 3.3Å; I253-I257 WeakPolarHBondContact O-CG1 3.43Å; I253-I257 PolarHBondContact O-N 3.2Å
254I87.1Confident83.1Confident0 Ų037 Ų370%020%0.196CC..Hα-helixtrans-63.8-46178.2-67.8172000110.8L219 L241 H244 L245 Y250 S251 S256 I257 F258L219-I254 HydrophobicContact CD1-CG1 4.38Å; L219-I254 HydrophobicContact CD2-CG1 3.99Å; L241-I254 HydrophobicContact CB-CG2 4.23Å; L241-I254 HydrophobicContact CD2-CG1 4.47Å; H244-I254 HydrophobicContact CB-CD1 3.89Å; L245-I254 HydrophobicContact CB-CG2 4.39Å; L245-I254 HydrophobicContact CD1-CB 4.23Å; L245-I254 HydrophobicContact CD1-CG2 3.87Å; Y250-I254 WeakPolarHBondContact O-CB 3.31Å; Y250-I254 VanDerWaalsContact O-CG1 3.32Å; Y250-I254 WeakPolarHBondContact O-CG1 3.28Å; Y250-I254 PolarHBondContact O-N 2.94Å; S251-I254 PolarHBondContact O-N 3.42Å; I254-S256 VanDerWaalsContact C-N 3.31Å; I254-S256 PolarHBondContact O-N 3.45Å; I254-I257 WeakPolarHBondContact O-CB 3.28Å; I254-I257 PolarHBondContact O-N 2.73Å; I254-I257 VanDerWaalsContact O-N 3.11Å; I254-F258 HydrophobicContact CG2-CD2 3.82Å; I254-F258 HydrophobicContact CG2-CE1 4.48Å; I254-F258 HydrophobicContact CG2-CE2 3.18Å; I254-F258 HydrophobicContact CG2-CZ 3.58Å; I254-F258 WeakPolarHBondContact O-CD2 3.35Å; I254-F258 WeakPolarHBondContact O-CG 3.35Å; I254-F258 PolarHBondContact O-N 3.04Å
255L86.4Confident83.3Confident0 Ų036.5 Ų36.50%019%0.194CC..Hα-helixtrans-66.2-33.7176-72.8173.9000112.4L245 S251 I257 F258 T259 L276 L286 Q289 I293L245-L255 HydrophobicContact CD1-CD1 4.3Å; L245-L255 HydrophobicContact CD1-CD2 3.84Å; L245-L255 HydrophobicContact CD1-CG 3.66Å; L245-L255 HydrophobicContact CD2-CD2 4.32Å; S251-L255 WeakPolarHBondContact O-CB 3.49Å; S251-L255 VanDerWaalsContact O-CG 3.3Å; S251-L255 WeakPolarHBondContact O-CG 3.47Å; S251-L255 PolarHBondContact O-N 3.41Å; L255-I257 VanDerWaalsContact C-N 3.33Å; L255-F258 HydrophobicContact CD2-CD2 4.41Å; L255-F258 PolarHBondContact O-N 3.35Å; L255-T259 WeakPolarHBondContact O-CB 3.46Å; L255-T259 PolarHBondContact O-N 3.35Å; L255-T259 PolarHBondContact O-OG1 3.44Å; L255-L276 HydrophobicContact CD2-CD2 3.73Å; L255-L286 HydrophobicContact CD1-CB 3.59Å; L255-L286 HydrophobicContact CD1-CD1 3.73Å; L255-L286 HydrophobicContact CD1-CD2 4Å; L255-L286 HydrophobicContact CD1-CG 3.97Å; L255-Q289 HydrophobicContact CB-CB 4.18Å; L255-Q289 HydrophobicContact CD1-CB 4.43Å; L255-I293 HydrophobicContact CD2-CD1 3.99Å
256S87Confident83.3Confident29 Ų2937.8 Ų37.820%0.20320%0.202CC..Hα-helixtrans-62.2-40.5170.2-178.50000112Q223 D252 I253 I254 T259 E260Q223-S256 PolarHBondContact NE2-OG 3.46Å; D252-S256 WeakPolarHBondContact O-CB 3.28Å; D252-S256 PolarHBondContact O-N 2.93Å; I253-S256 WeakPolarHBondContact O-CB 3.36Å; I253-S256 PolarHBondContact O-N 3.37Å; I254-S256 VanDerWaalsContact C-N 3.31Å; I254-S256 PolarHBondContact O-N 3.45Å; S256-T259 PolarHBondContact O-N 3.44Å; S256-E260 WeakPolarHBondContact O-CG 3.43Å; S256-E260 PolarHBondContact O-N 3.34Å; S256-E260 VanDerWaalsContact O-N 3.1Å
257I86.1Confident83.8Confident0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-61.2-49.4174.1-66.5162000110.2L219 F222 Q223 A226 L234 L241 I253 I254 L255 T259 E260 I261L219-I257 HydrophobicContact CD2-CD1 4.45Å; F222-I257 HydrophobicContact CB-CD1 3.97Å; Q223-I257 HydrophobicContact CB-CD1 4.42Å; Q223-I257 HydrophobicContact CB-CG1 3.82Å; Q223-I257 HydrophobicContact CG-CG1 4.21Å; A226-I257 HydrophobicContact CB-CG2 4.08Å; L234-I257 HydrophobicContact CD2-CG2 4.48Å; L241-I257 HydrophobicContact CD1-CG2 4.27Å; I253-I257 HydrophobicContact CG2-CD1 4.25Å; I253-I257 VanDerWaalsContact O-CG1 3.3Å; I253-I257 WeakPolarHBondContact O-CG1 3.43Å; I253-I257 PolarHBondContact O-N 3.2Å; I254-I257 WeakPolarHBondContact O-CB 3.28Å; I254-I257 PolarHBondContact O-N 2.73Å; I254-I257 VanDerWaalsContact O-N 3.11Å; L255-I257 VanDerWaalsContact C-N 3.33Å; I257-T259 VanDerWaalsContact C-N 3.32Å; I257-T259 PolarHBondContact O-N 2.75Å; I257-E260 PolarHBondContact O-N 3.25Å; I257-E260 VanDerWaalsContact O-N 3.14Å; I257-I261 HydrophobicContact CG2-CD1 3.89Å; I257-I261 WeakPolarHBondContact O-CG1 3.41Å; I257-I261 PolarHBondContact O-N 2.94Å
258F87.8Confident84Confident0 Ų039.3 Ų39.30%020%0.201CC..Hα-helixtrans-65.1-34.3179.5-62.6-33.1000113I238 L241 M242 L245 I254 L255 E260 I261 S262 L269 L276 I293I238-F258 HydrophobicContact CG2-CE1 4.18Å; L241-F258 HydrophobicContact CB-CE1 4.01Å; L241-F258 HydrophobicContact CB-CZ 3.58Å; L241-F258 HydrophobicContact CD1-CE1 4.1Å; L241-F258 HydrophobicContact CD1-CZ 4.46Å; M242-F258 HydrophobicContact CE-CD1 4.06Å; M242-F258 HydrophobicContact CE-CD2 3.43Å; M242-F258 VanDerWaalsContact CE-CD2 3.43Å; M242-F258 HydrophobicContact CE-CE1 3.75Å; M242-F258 HydrophobicContact CE-CE2 3.03Å; M242-F258 HydrophobicContact CE-CG 3.94Å; M242-F258 HydrophobicContact CE-CZ 3.23Å; M242-F258 HydrophobicContact CG-CE2 4.24Å; M242-F258 HydrophobicContact CG-CZ 3.9Å; M242-F258 HydrophobicContact SD-CD2 4.26Å; M242-F258 HydrophobicContact SD-CE2 3.42Å; M242-F258 WeakPolarHBondContact SD-CE2 3.38Å; M242-F258 HydrophobicContact SD-CZ 3.7Å; L245-F258 HydrophobicContact CD2-CE2 4.48Å; I254-F258 HydrophobicContact CG2-CD2 3.82Å; I254-F258 HydrophobicContact CG2-CE1 4.48Å; I254-F258 HydrophobicContact CG2-CE2 3.18Å; I254-F258 HydrophobicContact CG2-CZ 3.58Å; I254-F258 WeakPolarHBondContact O-CD2 3.35Å; I254-F258 WeakPolarHBondContact O-CG 3.35Å; I254-F258 PolarHBondContact O-N 3.04Å; L255-F258 HydrophobicContact CD2-CD2 4.41Å; L255-F258 PolarHBondContact O-N 3.35Å; F258-E260 VanDerWaalsContact C-N 3.31Å; F258-E260 PolarHBondContact O-N 3.36Å; F258-I261 HydrophobicContact CD1-CD1 4.26Å; F258-I261 PolarHBondContact O-N 3.18Å; F258-S262 WeakPolarHBondContact O-CB 3.46Å; F258-S262 PolarHBondContact O-N 3.3Å; F258-L269 HydrophobicContact CB-CD1 4.17Å; F258-L269 HydrophobicContact CB-CD2 4.35Å; F258-L269 HydrophobicContact CD1-CD2 3.81Å; F258-L269 HydrophobicContact CE1-CD2 4.4Å; F258-L269 HydrophobicContact CG-CD2 4.18Å; F258-L269 VanDerWaalsContact O-CD1 3.3Å; F258-L269 WeakPolarHBondContact O-CD1 3.41Å; F258-L276 HydrophobicContact CD2-CD2 4.42Å; F258-I293 HydrophobicContact CB-CD1 3.67Å; F258-I293 HydrophobicContact CB-CG1 4.5Å
259T85.8Confident84.3Confident15 Ų1535.4 Ų35.49%0.09218%0.176CC..Hα-helixtrans-65.1-34.8173.7-56.50000111.8L255 S256 I257 S262 R263 K292L255-T259 WeakPolarHBondContact O-CB 3.46Å; L255-T259 PolarHBondContact O-N 3.35Å; L255-T259 PolarHBondContact O-OG1 3.44Å; S256-T259 PolarHBondContact O-N 3.44Å; I257-T259 VanDerWaalsContact C-N 3.32Å; I257-T259 PolarHBondContact O-N 2.75Å; T259-S262 PolarHBondContact O-OG 2.86Å; T259-R263 WeakPolarHBondContact O-CG 3.24Å; T259-K292 HydrophobicContact CG2-CB 4.36Å; T259-K292 HydrophobicContact CG2-CD 4.39Å
260E85.9Confident84.5Confident32 Ų3232.4 Ų32.415%0.1516%0.163CC..Hα-helixtrans-70.5-42.1173-68.3-60.3162.300111.5A226 R227 S256 I257 F258 S262 R263 Y264A226-E260 HydrophobicContact CB-CB 4.24Å; R227-E260 HydrophobicContact CG-CG 4.02Å; S256-E260 WeakPolarHBondContact O-CG 3.43Å; S256-E260 PolarHBondContact O-N 3.34Å; S256-E260 VanDerWaalsContact O-N 3.1Å; I257-E260 PolarHBondContact O-N 3.25Å; I257-E260 VanDerWaalsContact O-N 3.14Å; F258-E260 VanDerWaalsContact C-N 3.31Å; F258-E260 PolarHBondContact O-N 3.36Å; E260-S262 PolarHBondContact O-N 3.43Å; E260-R263 PolarHBondContact O-N 2.93Å; E260-R263 IonicContact OE1-CZ 2.9Å; E260-R263 IonicContact OE1-NH1 2.78Å; E260-R263 PolarHBondContact OE1-NH1 3.07Å; E260-R263 IonicContact OE2-CZ 3.65Å; E260-R263 IonicContact OE2-NH1 3.61Å; E260-R263 PolarHBondContact OE2-NH1 3.09Å; E260-Y264 WeakPolarHBondContact O-CD1 3.32Å; E260-Y264 WeakPolarHBondContact O-CE1 3.14Å
261I85.1Confident84.7Confident0 Ų037 Ų370%019%0.193CC..Hα-helixtrans-62.3-42.3177.2-64.3169.1000111.5A226 L231 L234 I238 I257 F258 R263 Y264 E265 L269A226-I261 HydrophobicContact CB-CG1 4.22Å; L231-I261 HydrophobicContact CD2-CG2 4.5Å; L234-I261 HydrophobicContact CD2-CD1 4.23Å; I238-I261 HydrophobicContact CG1-CD1 4.42Å; I257-I261 HydrophobicContact CG2-CD1 3.89Å; I257-I261 WeakPolarHBondContact O-CG1 3.41Å; I257-I261 PolarHBondContact O-N 2.94Å; F258-I261 HydrophobicContact CD1-CD1 4.26Å; F258-I261 PolarHBondContact O-N 3.18Å; I261-R263 PolarHBondContact O-N 2.83Å; I261-R263 VanDerWaalsContact O-N 3.16Å; I261-Y264 HydrophobicContact CB-CE2 4.49Å; I261-Y264 WeakPolarHBondContact CG1-OH 3.47Å; I261-Y264 HydrophobicContact CG2-CE2 4.28Å; I261-Y264 PolarHBondContact O-N 3.12Å; I261-Y264 VanDerWaalsContact O-N 3.17Å; I261-E265 CarbonylContact O-C 3.59Å; I261-E265 PolarHBondContact O-N 2.93Å; I261-L269 HydrophobicContact CB-CD1 4.28Å; I261-L269 HydrophobicContact CG2-CD1 4.16Å; I261-L269 HydrophobicContact CG2-CG 4.25Å
262S85.8Confident84.8Confident6 Ų638.8 Ų38.84%0.04220%0.2CC..Hα-helixtrans-62.5-25.1-176.774.90000113.3F258 T259 E260 Y264F258-S262 WeakPolarHBondContact O-CB 3.46Å; F258-S262 PolarHBondContact O-N 3.3Å; T259-S262 PolarHBondContact O-OG 2.86Å; E260-S262 PolarHBondContact O-N 3.43Å; S262-Y264 VanDerWaalsContact C-N 3.31Å; S262-Y264 PolarHBondContact O-N 3.37Å
263R82.7Confident84.8Confident167 Ų16735 Ų3563%0.6318%0.18SC*.THydrogen-bonded Turntrans-68.1-26.2178.4-72172.5175.4164.7-0.5114T259 E260 I261T259-R263 WeakPolarHBondContact O-CG 3.24Å; E260-R263 PolarHBondContact O-N 2.93Å; E260-R263 IonicContact OE1-CZ 2.9Å; E260-R263 IonicContact OE1-NH1 2.78Å; E260-R263 PolarHBondContact OE1-NH1 3.07Å; E260-R263 IonicContact OE2-CZ 3.65Å; E260-R263 IonicContact OE2-NH1 3.61Å; E260-R263 PolarHBondContact OE2-NH1 3.09Å; I261-R263 PolarHBondContact O-N 2.83Å; I261-R263 VanDerWaalsContact O-N 3.16Å
264Y81.8Confident84.8Confident56 Ų5636.9 Ų36.922%0.2220%0.195CC..THydrogen-bonded Turntrans-124.9-28.9-175.457.1-105.8000114A226 K229 L231 E260 I261 S262A226-Y264 VanDerWaalsContact O-CE1 3.24Å; A226-Y264 WeakPolarHBondContact O-CE1 3.11Å; A226-Y264 PolarHBondContact O-OH 3.46Å; A226-Y264 VanDerWaalsContact O-OH 3.06Å; K229-Y264 HydrophobicContact CB-CE1 4.49Å; K229-Y264 HydrophobicContact CD-CD1 4.41Å; K229-Y264 HydrophobicContact CG-CD1 3.89Å; K229-Y264 HydrophobicContact CG-CE1 4.05Å; K229-Y264 HydrophobicContact CG-CG 4.34Å; L231-Y264 HydrophobicContact CD1-CD2 3.29Å; L231-Y264 HydrophobicContact CD1-CE2 3.11Å; L231-Y264 HydrophobicContact CD2-CE2 3.75Å; L231-Y264 HydrophobicContact CG-CD2 4.08Å; L231-Y264 HydrophobicContact CG-CE2 3.35Å; E260-Y264 WeakPolarHBondContact O-CD1 3.32Å; E260-Y264 WeakPolarHBondContact O-CE1 3.14Å; I261-Y264 HydrophobicContact CB-CE2 4.49Å; I261-Y264 WeakPolarHBondContact CG1-OH 3.47Å; I261-Y264 HydrophobicContact CG2-CE2 4.28Å; I261-Y264 PolarHBondContact O-N 3.12Å; I261-Y264 VanDerWaalsContact O-N 3.17Å; S262-Y264 VanDerWaalsContact C-N 3.31Å; S262-Y264 PolarHBondContact O-N 3.37Å
265E82.3Confident84.6Confident44 Ų4440.4 Ų40.421%0.20621%0.212CC..  trans-138.172.1175.3-168.6168.2-172.200111.1L231 K235 I261 I267 A268L231-E265 HydrophobicContact CD1-CB 3.81Å; L231-E265 WeakPolarHBondContact CD1-OE2 3.29Å; L231-E265 HydrophobicContact CD2-CB 4.16Å; L231-E265 WeakPolarHBondContact CD2-OE2 3.42Å; L231-E265 WeakPolarHBondContact CG-OE2 3.37Å; K235-E265 WeakPolarHBondContact CE-OE1 3.22Å; K235-E265 WeakPolarHBondContact CE-OE2 3.36Å; K235-E265 IonicContact NZ-OE1 3.48Å; K235-E265 PolarHBondContact NZ-OE1 2.55Å; K235-E265 IonicContact NZ-OE2 2.73Å; K235-E265 PolarHBondContact NZ-OE2 3.27Å; I261-E265 CarbonylContact O-C 3.59Å; I261-E265 PolarHBondContact O-N 2.93Å; E265-I267 PolarHBondContact O-N 2.89Å; E265-A268 HydrophobicContact CG-CB 4.15Å; E265-A268 PolarHBondContact O-N 2.62Å
266P82.3Confident84.5Confident28 Ų2840.4 Ų40.418%0.18221%0.212CC..THydrogen-bonded Turntrans-65.6-25.9-178.926.6-34.7000112.9A268 L269 A270 V297 I300P266-A268 VanDerWaalsContact C-N 3.25Å; P266-A268 PolarHBondContact O-N 2.97Å; P266-L269 PolarHBondContact O-N 2.82Å; P266-L269 VanDerWaalsContact O-N 3.08Å; P266-A270 PolarHBondContact O-N 3Å; P266-V297 HydrophobicContact CB-CG2 4.17Å; P266-I300 HydrophobicContact CB-CD1 3.95Å; P266-I300 HydrophobicContact CB-CG1 4.08Å; P266-I300 HydrophobicContact CG-CD1 4.15Å; P266-I300 HydrophobicContact CG-CG1 3.86Å
267I84.4Confident84.3Confident111 Ų11143.1 Ų43.157%0.56922%0.22SC*.Hα-helixtrans-59.1-36.6-179.8-61.5167.2000111.6E265 L269 A270 I300E265-I267 PolarHBondContact O-N 2.89Å; I267-L269 PolarHBondContact O-N 3.38Å; I267-L269 VanDerWaalsContact O-N 3.16Å; I267-A270 WeakPolarHBondContact O-CB 3.47Å; I267-A270 PolarHBondContact O-N 3.23Å; I267-I300 HydrophobicContact CB-CD1 4.38Å; I267-I300 HydrophobicContact CD1-CG2 4.48Å; I267-I300 HydrophobicContact CG1-CD1 3.79Å; I267-I300 HydrophobicContact CG1-CG1 4.2Å; I267-I300 HydrophobicContact CG1-CG2 3.98Å
268A83.2Confident84.2Confident19 Ų1949 Ų4916%0.15725%0.248CC..Hα-helixtrans-65.1-19-179.700000113.6I238 E265 P266I238-A268 HydrophobicContact CD1-CB 3.88Å; E265-A268 HydrophobicContact CG-CB 4.15Å; E265-A268 PolarHBondContact O-N 2.62Å; P266-A268 VanDerWaalsContact C-N 3.25Å; P266-A268 PolarHBondContact O-N 2.97Å
269L84.1Confident83.9Confident0 Ų049.6 Ų49.60%025%0.252CS..Hα-helixtrans-100.8-11-180-62.4174.5000113.1I238 M242 F258 I261 P266 I267 T271 F272 I293 V297I238-L269 HydrophobicContact CD1-CD2 4.31Å; I238-L269 HydrophobicContact CG2-CD2 4.06Å; M242-L269 HydrophobicContact CE-CD2 4.13Å; F258-L269 HydrophobicContact CB-CD1 4.17Å; F258-L269 HydrophobicContact CB-CD2 4.35Å; F258-L269 HydrophobicContact CD1-CD2 3.81Å; F258-L269 HydrophobicContact CE1-CD2 4.4Å; F258-L269 HydrophobicContact CG-CD2 4.18Å; F258-L269 VanDerWaalsContact O-CD1 3.3Å; F258-L269 WeakPolarHBondContact O-CD1 3.41Å; I261-L269 HydrophobicContact CB-CD1 4.28Å; I261-L269 HydrophobicContact CG2-CD1 4.16Å; I261-L269 HydrophobicContact CG2-CG 4.25Å; P266-L269 PolarHBondContact O-N 2.82Å; P266-L269 VanDerWaalsContact O-N 3.08Å; I267-L269 PolarHBondContact O-N 3.38Å; I267-L269 VanDerWaalsContact O-N 3.16Å; L269-T271 VanDerWaalsContact C-N 3.3Å; L269-T271 PolarHBondContact O-N 3.22Å; L269-F272 PolarHBondContact O-N 3.45Å; L269-I293 HydrophobicContact CD1-CG2 4.05Å; L269-V297 HydrophobicContact CB-CG2 4.11Å
270A83.6Confident83.5Confident23 Ų2349 Ų4919%0.1925%0.248CC..Hα-helixtrans-59.4-39.1-175.900000112.9P266 I267 F272 L273 V297P266-A270 PolarHBondContact O-N 3Å; I267-A270 WeakPolarHBondContact O-CB 3.47Å; I267-A270 PolarHBondContact O-N 3.23Å; A270-F272 PolarHBondContact O-N 3.37Å; A270-L273 PolarHBondContact O-N 3.42Å; A270-V297 HydrophobicContact CB-CG1 3.86Å
271T85.6Confident83.3Confident110 Ų11053.4 Ų53.468%0.67527%0.268SS*.THydrogen-bonded Turntrans-68.2-13.7178.351.40000113.9L269L269-T271 VanDerWaalsContact C-N 3.3Å; L269-T271 PolarHBondContact O-N 3.22Å
272F83.9Confident83.1Confident41 Ų4157.2 Ų57.218%0.1830%0.295CS..THydrogen-bonded Turntrans-1092.8-175.4-58.3-75.6000113.7I238 P239 M242 L269 A270 P274 M275 L276I238-F272 HydrophobicContact CB-CE2 4.36Å; I238-F272 HydrophobicContact CG2-CD2 3.62Å; I238-F272 HydrophobicContact CG2-CE2 3.41Å; I238-F272 VanDerWaalsContact CG2-CE2 3.41Å; I238-F272 HydrophobicContact CG2-CG 4.38Å; I238-F272 HydrophobicContact CG2-CZ 4.02Å; P239-F272 HydrophobicContact CB-CE1 4.43Å; P239-F272 HydrophobicContact CB-CZ 4.32Å; P239-F272 HydrophobicContact CG-CZ 3.98Å; M242-F272 HydrophobicContact CB-CD1 4.37Å; M242-F272 HydrophobicContact CE-CB 3.73Å; M242-F272 HydrophobicContact CE-CG 4.15Å; M242-F272 HydrophobicContact CG-CB 4.25Å; M242-F272 HydrophobicContact CG-CD1 3.77Å; M242-F272 HydrophobicContact CG-CE1 4.3Å; M242-F272 HydrophobicContact CG-CG 3.97Å; M242-F272 HydrophobicContact SD-CB 4.07Å; M242-F272 HydrophobicContact SD-CG 4.44Å; L269-F272 PolarHBondContact O-N 3.45Å; A270-F272 PolarHBondContact O-N 3.37Å; F272-P274 VanDerWaalsContact C-CD 3.44Å; F272-M275 PolarHBondContact O-N 3.33Å; F272-L276 PolarHBondContact O-N 3.01Å; F272-L276 VanDerWaalsContact O-N 3.07Å
273L84.6Confident82.7Confident8 Ų859.7 Ų59.74%0.04231%0.305CS..Hα-helixtrans-55.6-39.5177.4-68.1-173.2000114.6A270 M275 L276 K277 F294 V297 C308A270-L273 PolarHBondContact O-N 3.42Å; L273-M275 VanDerWaalsContact C-N 3.3Å; L273-M275 PolarHBondContact O-N 3.31Å; L273-L276 HydrophobicContact CD2-CD1 4.2Å; L273-L276 PolarHBondContact O-N 3.5Å; L273-K277 PolarHBondContact O-N 2.9Å; L273-F294 HydrophobicContact CB-CE1 4.12Å; L273-F294 HydrophobicContact CB-CZ 4.05Å; L273-F294 HydrophobicContact CD1-CD1 4.36Å; L273-F294 HydrophobicContact CD1-CE1 4.15Å; L273-F294 HydrophobicContact CD2-CD1 4.14Å; L273-F294 HydrophobicContact CD2-CD2 4.2Å; L273-F294 HydrophobicContact CD2-CE1 4.01Å; L273-F294 HydrophobicContact CD2-CE2 4.09Å; L273-F294 HydrophobicContact CD2-CG 4.24Å; L273-F294 HydrophobicContact CD2-CZ 3.99Å; L273-F294 HydrophobicContact CG-CE1 4.35Å; L273-F294 HydrophobicContact CG-CZ 4.5Å; L273-F294 WeakPolarHBondContact O-CZ 3.5Å; L273-V297 HydrophobicContact CD1-CB 4.49Å; L273-V297 HydrophobicContact CD1-CG1 3.8Å; L273-V297 HydrophobicContact CD2-CB 4.23Å; L273-V297 HydrophobicContact CD2-CG1 4.19Å; L273-V297 HydrophobicContact CD2-CG2 4.22Å; L273-V297 HydrophobicContact CG-CG1 4.19Å; L273-C308 VanDerWaalsContact CD1-SG 3.55Å
274P85.7Confident82.5Confident85 Ų8555.9 Ų55.955%0.55230%0.302SS*.Hα-helixtrans-60.1-41.1178-24.835.4000112.5F272 K277 E278F272-P274 VanDerWaalsContact C-CD 3.44Å; P274-K277 WeakPolarHBondContact O-CB 3.35Å; P274-K277 PolarHBondContact O-N 2.86Å; P274-E278 PolarHBondContact O-N 3.13Å; P274-E278 VanDerWaalsContact O-N 3.13Å
275M82.7Confident82.3Confident74 Ų7457.1 Ų57.137%0.36532%0.319SS..Hα-helixtrans-69.6-38.6177.8-169.6178.9-68.100111.8M242 F272 L273 K277 E278 V279M242-M275 HydrophobicContact CB-SD 3.71Å; M242-M275 HydrophobicContact CG-SD 4.47Å; M242-M275 HydrophobicContact SD-SD 4.48Å; F272-M275 PolarHBondContact O-N 3.33Å; L273-M275 VanDerWaalsContact C-N 3.3Å; L273-M275 PolarHBondContact O-N 3.31Å; M275-K277 VanDerWaalsContact C-N 3.27Å; M275-K277 PolarHBondContact O-N 3.15Å; M275-E278 PolarHBondContact O-N 3.44Å; M275-V279 WeakPolarHBondContact O-CG2 3.37Å; M275-V279 PolarHBondContact O-N 3.3Å; M275-V279 VanDerWaalsContact O-N 3.1Å
276L84Confident82.1Confident0 Ų055.1 Ų55.10%031%0.309CS..Hα-helixtrans-63.1-34.7173.6-72.7168.2000112.2M242 L245 L255 F258 F272 L273 S280 T290 I293 F294M242-L276 HydrophobicContact CE-CD1 4.34Å; M242-L276 HydrophobicContact CE-CD2 4.24Å; M242-L276 HydrophobicContact CE-CG 4.29Å; M242-L276 HydrophobicContact SD-CD2 4.43Å; L245-L276 HydrophobicContact CD2-CD2 3.65Å; L255-L276 HydrophobicContact CD2-CD2 3.73Å; F258-L276 HydrophobicContact CD2-CD2 4.42Å; F272-L276 PolarHBondContact O-N 3.01Å; F272-L276 VanDerWaalsContact O-N 3.07Å; L273-L276 HydrophobicContact CD2-CD1 4.2Å; L273-L276 PolarHBondContact O-N 3.5Å; L276-S280 WeakPolarHBondContact O-CB 3.43Å; L276-S280 PolarHBondContact O-N 3.37Å; L276-S280 PolarHBondContact O-OG 3.02Å; L276-T290 HydrophobicContact CB-CG2 4.22Å; L276-I293 HydrophobicContact CD1-CG2 3.84Å; L276-I293 HydrophobicContact CD2-CD1 4.45Å; L276-F294 HydrophobicContact CB-CE2 3.92Å
277K84Confident82Confident87 Ų8754.4 Ų54.438%0.37830%0.304SS..Hα-helixtrans-62.9-51.4173.3169172-174.4-167.20111L273 P274 M275 V279 S280 E281 F294 H311L273-K277 PolarHBondContact O-N 2.9Å; P274-K277 WeakPolarHBondContact O-CB 3.35Å; P274-K277 PolarHBondContact O-N 2.86Å; M275-K277 VanDerWaalsContact C-N 3.27Å; M275-K277 PolarHBondContact O-N 3.15Å; K277-V279 VanDerWaalsContact C-N 3.28Å; K277-V279 PolarHBondContact O-N 2.94Å; K277-S280 PolarHBondContact O-N 3.08Å; K277-S280 VanDerWaalsContact O-N 3.11Å; K277-S280 PolarHBondContact O-OG 3.08Å; K277-E281 WeakPolarHBondContact CE-OE1 3.38Å; K277-E281 WeakPolarHBondContact CG-OE1 3.45Å; K277-E281 WeakPolarHBondContact O-CG 3.25Å; K277-E281 PolarHBondContact O-N 3.43Å; K277-F294 HydrophobicContact CB-CZ 4.16Å; K277-H311 VanDerWaalsContact CG-CE1 3.47Å; K277-H311 WeakPolarHBondContact CG-CE1 3.21Å
278E83.3Confident81.8Confident123 Ų12349.5 Ų49.558%0.57528%0.281SS*.Hα-helixtrans-56.4-41.3177.7-70.1174.3-176.200112.6P274 M275 E281 S282P274-E278 PolarHBondContact O-N 3.13Å; P274-E278 VanDerWaalsContact O-N 3.13Å; M275-E278 PolarHBondContact O-N 3.44Å; E278-E281 PolarHBondContact O-N 3.14Å; E278-S282 WeakPolarHBondContact O-CB 3.49Å; E278-S282 PolarHBondContact O-N 3.33Å; E278-S282 PolarHBondContact O-OG 3.34Å
279V81.4Confident81.8Confident13 Ų1351.2 Ų51.28%0.07929%0.286CS..Hα-helixtrans-66.8-40.6177.7171.10000111.6L245 M275 K277 E281 S282 F283 L286L245-V279 HydrophobicContact CD1-CG1 4.31Å; L245-V279 HydrophobicContact CD2-CB 4.15Å; L245-V279 HydrophobicContact CD2-CG1 4.08Å; L245-V279 HydrophobicContact CD2-CG2 3.77Å; L245-V279 HydrophobicContact CG-CB 4.35Å; L245-V279 HydrophobicContact CG-CG1 3.88Å; L245-V279 HydrophobicContact CG-CG2 3.86Å; M275-V279 WeakPolarHBondContact O-CG2 3.37Å; M275-V279 PolarHBondContact O-N 3.3Å; M275-V279 VanDerWaalsContact O-N 3.1Å; K277-V279 VanDerWaalsContact C-N 3.28Å; K277-V279 PolarHBondContact O-N 2.94Å; V279-E281 VanDerWaalsContact C-N 3.3Å; V279-E281 PolarHBondContact O-N 3.48Å; V279-S282 PolarHBondContact O-N 3.38Å; V279-F283 HydrophobicContact CG1-CD2 4.03Å; V279-F283 WeakPolarHBondContact O-CD2 3.29Å; V279-F283 PolarHBondContact O-N 2.82Å; V279-L286 HydrophobicContact CG1-CD1 4.26Å
280S77.8Confident81.9Confident2 Ų251.2 Ų51.21%0.01429%0.286CS..Hα-helixtrans-67.2-30.6177.770.30000113.6L276 K277 Q315L276-S280 WeakPolarHBondContact O-CB 3.43Å; L276-S280 PolarHBondContact O-N 3.37Å; L276-S280 PolarHBondContact O-OG 3.02Å; K277-S280 PolarHBondContact O-N 3.08Å; K277-S280 VanDerWaalsContact O-N 3.11Å; K277-S280 PolarHBondContact O-OG 3.08Å; S280-Q315 VanDerWaalsContact CB-NE2 3.3Å; S280-Q315 PolarHBondContact OG-NE2 3.41Å
281E81.1Confident81.9Confident124 Ų12450.1 Ų50.158%0.57928%0.277SS*.Hα-helixtrans-73.2-34.7173.7-70.1172.4-175.900111.1K277 E278 V279K277-E281 WeakPolarHBondContact CE-OE1 3.38Å; K277-E281 WeakPolarHBondContact CG-OE1 3.45Å; K277-E281 WeakPolarHBondContact O-CG 3.25Å; K277-E281 PolarHBondContact O-N 3.43Å; E278-E281 PolarHBondContact O-N 3.14Å; V279-E281 VanDerWaalsContact C-N 3.3Å; V279-E281 PolarHBondContact O-N 3.48Å
282S80.1Confident81.9Confident80 Ų8049.1 Ų49.156%0.55926%0.263SS*.Hα-helixtrans-78.2-30.5178.7-56.50000113.5E278 V279E278-S282 WeakPolarHBondContact O-CB 3.49Å; E278-S282 PolarHBondContact O-N 3.33Å; E278-S282 PolarHBondContact O-OG 3.34Å; V279-S282 PolarHBondContact O-N 3.38Å
283F78.3Confident82Confident59 Ų5947.2 Ų47.226%0.25925%0.254SS..  trans-131.290.8-174.5-59.9-77.7000112.2P248 V279 S285 L286P248-F283 HydrophobicContact CB-CE1 4.18Å; V279-F283 HydrophobicContact CG1-CD2 4.03Å; V279-F283 WeakPolarHBondContact O-CD2 3.29Å; V279-F283 PolarHBondContact O-N 2.82Å; F283-S285 PolarHBondContact O-N 2.99Å; F283-S285 VanDerWaalsContact O-N 3.11Å; F283-L286 HydrophobicContact CB-CB 4.48Å; F283-L286 HydrophobicContact CB-CD1 3.7Å; F283-L286 HydrophobicContact CB-CG 4Å; F283-L286 HydrophobicContact CD2-CD1 4.45Å; F283-L286 HydrophobicContact CG-CD1 4.21Å; F283-L286 PolarHBondContact O-N 2.94Å; F283-L286 VanDerWaalsContact O-N 3.11Å
284P78.3Confident82Confident87 Ų8747 Ų4757%0.56525%0.253SS*.G310 helixtrans-61.1-23.5-175.8-26.835.3000115.5L286 I287P284-L286 PolarHBondContact O-N 3.26Å; P284-I287 HydrophobicContact CB-CD1 4.08Å; P284-I287 WeakPolarHBondContact O-CB 3.32Å; P284-I287 WeakPolarHBondContact O-CD1 3.07Å
285S77.2Confident81.9Confident82 Ų8243 Ų4357%0.57323%0.227SC*.G310 helixtrans-67.5-21.7177.653.70000113.8F283F283-S285 PolarHBondContact O-N 2.99Å; F283-S285 VanDerWaalsContact O-N 3.11Å
286L78.8Confident82Confident1 Ų140 Ų401%0.00521%0.214CC..G310 helixtrans-95.2-10.7-172.5-59.4-178000113.6D252 L255 V279 F283 P284 G288 Q289 T290D252-L286 WeakPolarHBondContact OD1-CD2 3.38Å; L255-L286 HydrophobicContact CD1-CB 3.59Å; L255-L286 HydrophobicContact CD1-CD1 3.73Å; L255-L286 HydrophobicContact CD1-CD2 4Å; L255-L286 HydrophobicContact CD1-CG 3.97Å; V279-L286 HydrophobicContact CG1-CD1 4.26Å; F283-L286 HydrophobicContact CB-CB 4.48Å; F283-L286 HydrophobicContact CB-CD1 3.7Å; F283-L286 HydrophobicContact CB-CG 4Å; F283-L286 HydrophobicContact CD2-CD1 4.45Å; F283-L286 HydrophobicContact CG-CD1 4.21Å; F283-L286 PolarHBondContact O-N 2.94Å; F283-L286 VanDerWaalsContact O-N 3.11Å; P284-L286 PolarHBondContact O-N 3.26Å; L286-G288 VanDerWaalsContact C-N 3.25Å; L286-G288 PolarHBondContact O-N 3.17Å; L286-G288 VanDerWaalsContact O-N 3.15Å; L286-Q289 PolarHBondContact O-N 3.48Å; L286-T290 PolarHBondContact O-N 3.23Å; L286-T290 VanDerWaalsContact O-N 3.09Å; L286-T290 PolarHBondContact O-OG1 3.28Å
287I79.9Confident82.1Confident14 Ų1440 Ų407%0.07221%0.214CC..Hα-helixtrans-44.9-46.8-179.8-84.1168000112.7P284 Q289 T290 A291 M319 F323P284-I287 HydrophobicContact CB-CD1 4.08Å; P284-I287 WeakPolarHBondContact O-CB 3.32Å; P284-I287 WeakPolarHBondContact O-CD1 3.07Å; I287-Q289 VanDerWaalsContact C-N 3.29Å; I287-Q289 PolarHBondContact O-N 2.74Å; I287-T290 PolarHBondContact O-N 3.41Å; I287-A291 WeakPolarHBondContact O-CB 3.42Å; I287-A291 PolarHBondContact O-N 3.28Å; I287-M319 HydrophobicContact CB-CE 4.12Å; I287-M319 HydrophobicContact CD1-CE 3.88Å; I287-M319 HydrophobicContact CD1-CG 4.15Å; I287-M319 HydrophobicContact CG1-CE 4.04Å; I287-M319 HydrophobicContact CG2-CE 3.05Å; I287-M319 HydrophobicContact CG2-CG 4.32Å; I287-M319 HydrophobicContact CG2-SD 3.52Å; I287-M319 VanDerWaalsContact CG2-SD 3.52Å; I287-F323 HydrophobicContact CG2-CB 4.33Å
288G81.1Confident82Confident8 Ų835.8 Ų35.88%0.08220%0.196CC..Hα-helixtrans-65.4-30.9-176.200000113.5L286L286-G288 VanDerWaalsContact C-N 3.25Å; L286-G288 PolarHBondContact O-N 3.17Å; L286-G288 VanDerWaalsContact O-N 3.15Å
289Q82.5Confident81.9Confident54 Ų5435.1 Ų35.125%0.25219%0.188SC..Hα-helixtrans-78.7-42.9175.9-59.9-173.920.300110.6D252 L255 L286 I287 A291 K292 I293D252-Q289 PolarHBondContact OD1-NE2 3.36Å; L255-Q289 HydrophobicContact CB-CB 4.18Å; L255-Q289 HydrophobicContact CD1-CB 4.43Å; L286-Q289 PolarHBondContact O-N 3.48Å; I287-Q289 VanDerWaalsContact C-N 3.29Å; I287-Q289 PolarHBondContact O-N 2.74Å; Q289-A291 VanDerWaalsContact C-N 3.32Å; Q289-A291 PolarHBondContact O-N 3.2Å; Q289-K292 WeakPolarHBondContact O-CB 3.25Å; Q289-K292 PolarHBondContact O-N 3Å; Q289-I293 PolarHBondContact O-N 3.23Å
290T85.4Confident81.9Confident0 Ų037.2 Ų37.20%020%0.198CC..Hα-helixtrans-59.6-42.5175.5-56.80000111.5L276 L286 I287 K292 I293 F294L276-T290 HydrophobicContact CB-CG2 4.22Å; L286-T290 PolarHBondContact O-N 3.23Å; L286-T290 VanDerWaalsContact O-N 3.09Å; L286-T290 PolarHBondContact O-OG1 3.28Å; I287-T290 PolarHBondContact O-N 3.41Å; T290-K292 VanDerWaalsContact C-N 3.29Å; T290-K292 PolarHBondContact O-N 3.31Å; T290-I293 WeakPolarHBondContact O-CA 3.12Å; T290-I293 WeakPolarHBondContact O-CB 3.32Å; T290-I293 PolarHBondContact O-N 3.23Å; T290-F294 HydrophobicContact CG2-CD2 3.56Å; T290-F294 HydrophobicContact CG2-CE2 3.46Å; T290-F294 VanDerWaalsContact CG2-CE2 3.46Å; T290-F294 WeakPolarHBondContact O-CD2 3.41Å; T290-F294 PolarHBondContact O-N 3.15Å
291A84.6Confident82Confident0 Ų040.9 Ų40.90%022%0.215CC..Hα-helixtrans-56.8-39.7177.500000113I287 Q289 I293 F294 G295 L312 V327I287-A291 WeakPolarHBondContact O-CB 3.42Å; I287-A291 PolarHBondContact O-N 3.28Å; Q289-A291 VanDerWaalsContact C-N 3.32Å; Q289-A291 PolarHBondContact O-N 3.2Å; A291-I293 VanDerWaalsContact C-N 3.34Å; A291-I293 PolarHBondContact O-N 3.45Å; A291-F294 PolarHBondContact O-N 3Å; A291-G295 PolarHBondContact O-N 3.18Å; A291-L312 HydrophobicContact CB-CD2 3.69Å; A291-V327 HydrophobicContact CB-CG2 3.93Å
292K85.8Confident81.8Confident90 Ų9039.3 Ų39.339%0.39121%0.208SC..Hα-helixtrans-64.9-36.6175.2-67.8176.4-177.8178.30112.4T259 Q289 T290 A296 V326T259-K292 HydrophobicContact CG2-CB 4.36Å; T259-K292 HydrophobicContact CG2-CD 4.39Å; Q289-K292 WeakPolarHBondContact O-CB 3.25Å; Q289-K292 PolarHBondContact O-N 3Å; T290-K292 VanDerWaalsContact C-N 3.29Å; T290-K292 PolarHBondContact O-N 3.31Å; K292-A296 WeakPolarHBondContact O-CB 3.23Å; K292-A296 PolarHBondContact O-N 2.95Å; K292-V326 HydrophobicContact CG-CG1 4.02Å
293I85.9Confident81.7Confident0 Ų042.3 Ų42.30%021%0.213CC..Hα-helixtrans-67.5-47.4175.6-60.3166.8000109.6L255 F258 L269 L276 Q289 T290 A291 G295 A296 V297L255-I293 HydrophobicContact CD2-CD1 3.99Å; F258-I293 HydrophobicContact CB-CD1 3.67Å; F258-I293 HydrophobicContact CB-CG1 4.5Å; L269-I293 HydrophobicContact CD1-CG2 4.05Å; L276-I293 HydrophobicContact CD1-CG2 3.84Å; L276-I293 HydrophobicContact CD2-CD1 4.45Å; Q289-I293 PolarHBondContact O-N 3.23Å; T290-I293 WeakPolarHBondContact O-CA 3.12Å; T290-I293 WeakPolarHBondContact O-CB 3.32Å; T290-I293 PolarHBondContact O-N 3.23Å; A291-I293 VanDerWaalsContact C-N 3.34Å; A291-I293 PolarHBondContact O-N 3.45Å; I293-G295 VanDerWaalsContact C-N 3.35Å; I293-G295 PolarHBondContact O-N 2.98Å; I293-A296 PolarHBondContact O-N 2.64Å; I293-V297 HydrophobicContact CG2-CG2 4.21Å; I293-V297 WeakPolarHBondContact O-CB 3.06Å; I293-V297 VanDerWaalsContact O-CG2 3.29Å; I293-V297 WeakPolarHBondContact O-CG2 3.44Å; I293-V297 PolarHBondContact O-N 3.5Å
294F84.8Confident81.8Confident5 Ų540.9 Ų40.92%0.02221%0.207CC..Hα-helixtrans-60.6-40.9176.2-86.6-98.4000112.5L273 L276 K277 T290 A291 V297 G298 C308 H311 L312L273-F294 HydrophobicContact CB-CE1 4.12Å; L273-F294 HydrophobicContact CB-CZ 4.05Å; L273-F294 HydrophobicContact CD1-CD1 4.36Å; L273-F294 HydrophobicContact CD1-CE1 4.15Å; L273-F294 HydrophobicContact CD2-CD1 4.14Å; L273-F294 HydrophobicContact CD2-CD2 4.2Å; L273-F294 HydrophobicContact CD2-CE1 4.01Å; L273-F294 HydrophobicContact CD2-CE2 4.09Å; L273-F294 HydrophobicContact CD2-CG 4.24Å; L273-F294 HydrophobicContact CD2-CZ 3.99Å; L273-F294 HydrophobicContact CG-CE1 4.35Å; L273-F294 HydrophobicContact CG-CZ 4.5Å; L273-F294 WeakPolarHBondContact O-CZ 3.5Å; L276-F294 HydrophobicContact CB-CE2 3.92Å; K277-F294 HydrophobicContact CB-CZ 4.16Å; T290-F294 HydrophobicContact CG2-CD2 3.56Å; T290-F294 HydrophobicContact CG2-CE2 3.46Å; T290-F294 VanDerWaalsContact CG2-CE2 3.46Å; T290-F294 WeakPolarHBondContact O-CD2 3.41Å; T290-F294 PolarHBondContact O-N 3.15Å; A291-F294 PolarHBondContact O-N 3Å; F294-V297 PolarHBondContact O-N 2.82Å; F294-G298 PolarHBondContact O-N 3.31Å; F294-C308 HydrophobicContact CB-CB 4.41Å; F294-C308 HydrophobicContact CD1-CB 4.02Å; F294-C308 PolarHBondContact O-SG 3.1Å; F294-H311 HydrophobicContact CD1-CB 4.21Å; F294-H311 AromaticContact CD1-CD2 3.56Å; F294-H311 AromaticContact CD2-CD2 3.92Å; F294-H311 HydrophobicContact CE1-CB 4Å; F294-H311 AromaticContact CE1-CD2 3.3Å; F294-H311 WeakPolarHBondContact CE1-CD2 3.49Å; F294-H311 AromaticContact CE1-CG 3.81Å; F294-H311 AromaticContact CE2-CD2 3.67Å; F294-H311 AromaticContact CE2-NE2 3.81Å; F294-H311 AromaticContact CG-CD2 3.87Å; F294-H311 AromaticContact CZ-CD2 3.36Å; F294-H311 WeakPolarHBondContact CZ-CD2 3.17Å; F294-H311 AromaticContact CZ-NE2 3.71Å; F294-L312 HydrophobicContact CB-CD1 4.5Å; F294-L312 HydrophobicContact CB-CD2 4.16Å; F294-L312 HydrophobicContact CB-CG 4.3Å
295G83.9Confident81.9Confident0 Ų036.8 Ų36.80%018%0.18CC..Hα-helixtrans-66-35.3175.100000113.7A291 I293 R299A291-G295 PolarHBondContact O-N 3.18Å; I293-G295 VanDerWaalsContact C-N 3.35Å; I293-G295 PolarHBondContact O-N 2.98Å; G295-R299 WeakPolarHBondContact O-CG 3.34Å; G295-R299 PolarHBondContact O-NE 3.26Å
296A84.8Confident82Confident10 Ų1036.8 Ų36.88%0.08317%0.168CC..Hα-helixtrans-72.5-42.4174.600000112.7K292 I293 R299K292-A296 WeakPolarHBondContact O-CB 3.23Å; K292-A296 PolarHBondContact O-N 2.95Å; I293-A296 PolarHBondContact O-N 2.64Å; A296-R299 PolarHBondContact O-N 3.16Å
297V85.1Confident82.1Confident0 Ų041.3 Ų41.30%019%0.191CC..Hα-helixtrans-71.9-38.3178.8177.80000112P266 L269 A270 L273 I293 F294 R299 I300 Q304P266-V297 HydrophobicContact CB-CG2 4.17Å; L269-V297 HydrophobicContact CB-CG2 4.11Å; A270-V297 HydrophobicContact CB-CG1 3.86Å; L273-V297 HydrophobicContact CD1-CB 4.49Å; L273-V297 HydrophobicContact CD1-CG1 3.8Å; L273-V297 HydrophobicContact CD2-CB 4.23Å; L273-V297 HydrophobicContact CD2-CG1 4.19Å; L273-V297 HydrophobicContact CD2-CG2 4.22Å; L273-V297 HydrophobicContact CG-CG1 4.19Å; I293-V297 HydrophobicContact CG2-CG2 4.21Å; I293-V297 WeakPolarHBondContact O-CB 3.06Å; I293-V297 VanDerWaalsContact O-CG2 3.29Å; I293-V297 WeakPolarHBondContact O-CG2 3.44Å; I293-V297 PolarHBondContact O-N 3.5Å; F294-V297 PolarHBondContact O-N 2.82Å; V297-R299 PolarHBondContact O-N 3.22Å; V297-R299 VanDerWaalsContact O-N 3.16Å; V297-I300 HydrophobicContact CB-CD1 4.48Å; V297-I300 HydrophobicContact CG1-CD1 3.93Å; V297-I300 WeakPolarHBondContact O-CB 3.34Å; V297-I300 VanDerWaalsContact O-CD1 3.27Å; V297-I300 WeakPolarHBondContact O-CD1 3.46Å; V297-I300 WeakPolarHBondContact O-CG1 3.48Å; V297-I300 PolarHBondContact O-N 3.39Å; V297-Q304 HydrophobicContact CG1-CG 3.9Å
298G81.5Confident82.3Confident0 Ų040.6 Ų40.60%019%0.187CC..Hα-helixtrans-62.1-22.1176.600000113.2F294 I300 A305 F338F294-G298 PolarHBondContact O-N 3.31Å; G298-I300 PolarHBondContact O-N 3.42Å; G298-A305 WeakPolarHBondContact O-CA 3.43Å; G298-A305 VanDerWaalsContact O-CB 3.24Å; G298-A305 WeakPolarHBondContact O-CB 3.48Å; G298-A305 PolarHBondContact O-N 3.01Å; G298-F338 WeakPolarHBondContact O-CE2 3.29Å
299R82.9Confident82.3Confident109 Ų10940.3 Ų40.341%0.41118%0.184SC..THydrogen-bonded Turntrans-74.6-5.1177.4-79.3-177.8-84.3-177.5-9.4114.9G295 A296 V297 E330 L334 T337G295-R299 WeakPolarHBondContact O-CG 3.34Å; G295-R299 PolarHBondContact O-NE 3.26Å; A296-R299 PolarHBondContact O-N 3.16Å; V297-R299 PolarHBondContact O-N 3.22Å; V297-R299 VanDerWaalsContact O-N 3.16Å; R299-E330 IonicContact NH2-OE2 3.58Å; R299-L334 HydrophobicContact CG-CD2 3.86Å; R299-T337 HydrophobicContact CG-CG2 4.4Å
300I80.7Confident82.2Confident57 Ų5740.4 Ų40.429%0.29219%0.185SC..SBendtrans-72.1-50.1-176.5-59164.2000111.5P266 I267 V297 G298P266-I300 HydrophobicContact CB-CD1 3.95Å; P266-I300 HydrophobicContact CB-CG1 4.08Å; P266-I300 HydrophobicContact CG-CD1 4.15Å; P266-I300 HydrophobicContact CG-CG1 3.86Å; I267-I300 HydrophobicContact CB-CD1 4.38Å; I267-I300 HydrophobicContact CD1-CG2 4.48Å; I267-I300 HydrophobicContact CG1-CD1 3.79Å; I267-I300 HydrophobicContact CG1-CG1 4.2Å; I267-I300 HydrophobicContact CG1-CG2 3.98Å; V297-I300 HydrophobicContact CB-CD1 4.48Å; V297-I300 HydrophobicContact CG1-CD1 3.93Å; V297-I300 WeakPolarHBondContact O-CB 3.34Å; V297-I300 VanDerWaalsContact O-CD1 3.27Å; V297-I300 WeakPolarHBondContact O-CD1 3.46Å; V297-I300 WeakPolarHBondContact O-CG1 3.48Å; V297-I300 PolarHBondContact O-N 3.39Å; G298-I300 PolarHBondContact O-N 3.42Å
301H79.3Confident82Confident79 Ų7941 Ų4137%0.36619%0.188SC..  trans-158159.5-178.156.6-79.7000111E303 Q304 A305H301-E303 PolarHBondContact O-N 2.83Å; H301-Q304 WeakPolarHBondContact O-CB 3.32Å; H301-Q304 PolarHBondContact O-N 3.37Å; H301-A305 PolarHBondContact O-N 3.25Å
302E78.1Confident81.8Confident91 Ų9141 Ų4143%0.42519%0.188SC..Hα-helixtrans-61.1-38.1-168.3-162.9-173.3146.900113.8A305 R306 F338 I341E302-A305 WeakPolarHBondContact O-CB 3.4Å; E302-A305 PolarHBondContact O-N 3.12Å; E302-R306 WeakPolarHBondContact O-CG 3.39Å; E302-R306 PolarHBondContact O-N 3.14Å; E302-R306 IonicContact OE1-CZ 3.4Å; E302-R306 IonicContact OE1-NE 3Å; E302-R306 IonicContact OE1-NH2 3.21Å; E302-R306 PolarHBondContact OE1-NH2 2.95Å; E302-F338 HydrophobicContact CB-CD1 4.07Å; E302-F338 HydrophobicContact CB-CE1 4.22Å; E302-F338 HydrophobicContact CG-CD1 4.19Å; E302-F338 HydrophobicContact CG-CG 4.47Å; E302-I341 HydrophobicContact CG-CD1 3.78Å; E302-I341 HydrophobicContact CG-CG1 3.84Å
303E77.9Confident81.4Confident143 Ų14336.8 Ų36.867%0.66817%0.169SC*.Hα-helixtrans-65.2-42.5178.2-167.2171.9-172.600111.8H301 A305 R306 I307H301-E303 PolarHBondContact O-N 2.83Å; E303-A305 VanDerWaalsContact C-N 3.33Å; E303-A305 PolarHBondContact O-N 2.84Å; E303-R306 PolarHBondContact O-N 3.4Å; E303-I307 WeakPolarHBondContact O-CG1 3.33Å; E303-I307 PolarHBondContact O-N 3.07Å
304Q79.7Confident81.1Confident28 Ų2840.1 Ų40.113%0.13119%0.187CC..Hα-helixtrans-65-38.1173.6-15666.937.800111.8V297 H301 R306 I307 C308V297-Q304 HydrophobicContact CG1-CG 3.9Å; H301-Q304 WeakPolarHBondContact O-CB 3.32Å; H301-Q304 PolarHBondContact O-N 3.37Å; Q304-R306 VanDerWaalsContact C-N 3.33Å; Q304-R306 PolarHBondContact O-N 3.35Å; Q304-I307 PolarHBondContact O-N 3.23Å; Q304-C308 WeakPolarHBondContact O-CB 3.36Å; Q304-C308 PolarHBondContact O-N 3.44Å; Q304-C308 PolarHBondContact O-SG 3.15Å
305A80.8Confident80.6Confident1 Ų140.4 Ų40.41%0.00819%0.188CC..Hα-helixtrans-59.2-44.7175.500000110.9G298 H301 E302 E303 C308 L309 L334 F338 I341G298-A305 WeakPolarHBondContact O-CA 3.43Å; G298-A305 VanDerWaalsContact O-CB 3.24Å; G298-A305 WeakPolarHBondContact O-CB 3.48Å; G298-A305 PolarHBondContact O-N 3.01Å; H301-A305 PolarHBondContact O-N 3.25Å; E302-A305 WeakPolarHBondContact O-CB 3.4Å; E302-A305 PolarHBondContact O-N 3.12Å; E303-A305 VanDerWaalsContact C-N 3.33Å; E303-A305 PolarHBondContact O-N 2.84Å; A305-C308 PolarHBondContact O-N 3.01Å; A305-L309 WeakPolarHBondContact O-CB 3.49Å; A305-L309 PolarHBondContact O-N 3.27Å; A305-L334 HydrophobicContact CB-CD2 4.5Å; A305-F338 HydrophobicContact CB-CD2 3.46Å; A305-F338 VanDerWaalsContact CB-CD2 3.46Å; A305-F338 HydrophobicContact CB-CE2 3.72Å; A305-F338 HydrophobicContact CB-CG 4.26Å; A305-I341 HydrophobicContact CB-CD1 3.52Å
306R79Confident80.2Confident83 Ų8340.4 Ų40.431%0.31319%0.188SC..Hα-helixtrans-60.6-46176.8-69.7179.2-171.2-93.1-2112E302 E303 Q304 L309 M310 I341E302-R306 WeakPolarHBondContact O-CG 3.39Å; E302-R306 PolarHBondContact O-N 3.14Å; E302-R306 IonicContact OE1-CZ 3.4Å; E302-R306 IonicContact OE1-NE 3Å; E302-R306 IonicContact OE1-NH2 3.21Å; E302-R306 PolarHBondContact OE1-NH2 2.95Å; E303-R306 PolarHBondContact O-N 3.4Å; Q304-R306 VanDerWaalsContact C-N 3.33Å; Q304-R306 PolarHBondContact O-N 3.35Å; R306-L309 PolarHBondContact O-N 2.91Å; R306-M310 WeakPolarHBondContact O-CB 3.42Å; R306-M310 PolarHBondContact O-N 3.37Å; R306-I341 HydrophobicContact CG-CD1 4.07Å; R306-I341 HydrophobicContact CG-CG1 4.3Å; R306-I341 HydrophobicContact CG-CG2 3.98Å
307I81.1Confident79.4Confident95 Ų9541.8 Ų41.849%0.48720%0.2SC..Hα-helixtrans-62.9-47.6178.3-63.4167.6000111E303 Q304 H311E303-I307 WeakPolarHBondContact O-CG1 3.33Å; E303-I307 PolarHBondContact O-N 3.07Å; Q304-I307 PolarHBondContact O-N 3.23Å; I307-H311 PolarHBondContact O-N 3.34Å
308C83.4Confident78.4Confident0 Ų046.4 Ų46.40%023%0.232CC..Hα-helixtrans-66.8-40.2-179.8-69.50000112.2L273 F294 Q304 A305 H311 L312 L334L273-C308 VanDerWaalsContact CD1-SG 3.55Å; F294-C308 HydrophobicContact CB-CB 4.41Å; F294-C308 HydrophobicContact CD1-CB 4.02Å; F294-C308 PolarHBondContact O-SG 3.1Å; Q304-C308 WeakPolarHBondContact O-CB 3.36Å; Q304-C308 PolarHBondContact O-N 3.44Å; Q304-C308 PolarHBondContact O-SG 3.15Å; A305-C308 PolarHBondContact O-N 3.01Å; C308-H311 PolarHBondContact O-N 2.83Å; C308-L312 VanDerWaalsContact O-CG 3.29Å; C308-L312 WeakPolarHBondContact O-CG 3.39Å; C308-L312 PolarHBondContact O-N 3.09Å; C308-L334 HydrophobicContact CB-CD1 4.4Å
309L81.6Confident77.6Confident2 Ų247.8 Ų47.81%0.0124%0.239CC..Hα-helixtrans-66.9-42.3179.8-167.2110.9000111.2A305 R306 H311 L312 V313 I331 L334 T335 I341 L342 L367A305-L309 WeakPolarHBondContact O-CB 3.49Å; A305-L309 PolarHBondContact O-N 3.27Å; R306-L309 PolarHBondContact O-N 2.91Å; L309-H311 VanDerWaalsContact C-N 3.28Å; L309-H311 PolarHBondContact O-N 3.37Å; L309-L312 PolarHBondContact O-N 3.19Å; L309-V313 HydrophobicContact CG-CG2 4.38Å; L309-V313 WeakPolarHBondContact O-CB 3.16Å; L309-V313 WeakPolarHBondContact O-CG2 3.48Å; L309-V313 PolarHBondContact O-N 3.38Å; L309-I331 HydrophobicContact CD1-CG2 3.96Å; L309-L334 HydrophobicContact CD1-CB 3.99Å; L309-L334 HydrophobicContact CD1-CD1 4.34Å; L309-T335 HydrophobicContact CD1-CG2 3.66Å; L309-I341 HydrophobicContact CD2-CG2 4.28Å; L309-L342 HydrophobicContact CD2-CD1 4.43Å; L309-L342 HydrophobicContact CD2-CD2 4.11Å; L309-L342 HydrophobicContact CD2-CG 4.27Å; L309-L367 HydrophobicContact CD2-CD1 3.45Å; L309-L367 VanDerWaalsContact CD2-CD1 3.45Å; L309-L367 HydrophobicContact CD2-CD2 3.28Å; L309-L367 HydrophobicContact CD2-CG 3.87Å; L309-L367 HydrophobicContact CG-CD1 4.42Å
310M80.8Confident76.4Confident56 Ų5650 Ų5028%0.27625%0.254SS..Hα-helixtrans-57.5-42.7172.8-174.46071.600111.7R306 N314 L367R306-M310 WeakPolarHBondContact O-CB 3.42Å; R306-M310 PolarHBondContact O-N 3.37Å; M310-N314 WeakPolarHBondContact O-CB 3.33Å; M310-N314 VanDerWaalsContact O-CG 3.27Å; M310-N314 PolarHBondContact O-N 2.77Å; M310-N314 VanDerWaalsContact O-N 3.09Å; M310-N314 PolarHBondContact O-ND2 3.19Å; M310-L367 HydrophobicContact CE-CB 3.55Å; M310-L367 HydrophobicContact CE-CD1 4.19Å; M310-L367 HydrophobicContact CE-CG 4.48Å
311H79.8Confident75.7Confident13 Ų1354.8 Ų54.86%0.0628%0.275CS..Hα-helixtrans-64.9-49.4176.4-178.157.2000112.3K277 F294 I307 C308 L309 V313 N314 Q315K277-H311 VanDerWaalsContact CG-CE1 3.47Å; K277-H311 WeakPolarHBondContact CG-CE1 3.21Å; F294-H311 HydrophobicContact CD1-CB 4.21Å; F294-H311 AromaticContact CD1-CD2 3.56Å; F294-H311 AromaticContact CD2-CD2 3.92Å; F294-H311 HydrophobicContact CE1-CB 4Å; F294-H311 AromaticContact CE1-CD2 3.3Å; F294-H311 WeakPolarHBondContact CE1-CD2 3.49Å; F294-H311 AromaticContact CE1-CG 3.81Å; F294-H311 AromaticContact CE2-CD2 3.67Å; F294-H311 AromaticContact CE2-NE2 3.81Å; F294-H311 AromaticContact CG-CD2 3.87Å; F294-H311 AromaticContact CZ-CD2 3.36Å; F294-H311 WeakPolarHBondContact CZ-CD2 3.17Å; F294-H311 AromaticContact CZ-NE2 3.71Å; I307-H311 PolarHBondContact O-N 3.34Å; C308-H311 PolarHBondContact O-N 2.83Å; L309-H311 VanDerWaalsContact C-N 3.28Å; L309-H311 PolarHBondContact O-N 3.37Å; H311-V313 VanDerWaalsContact C-N 3.32Å; H311-V313 PolarHBondContact O-N 3.28Å; H311-N314 PolarHBondContact O-N 2.99Å; H311-Q315 PolarHBondContact CE1-NE2 2.51Å; H311-Q315 VanDerWaalsContact CE1-NE2 3.34Å; H311-Q315 PolarHBondContact NE2-NE2 3.45Å; H311-Q315 VanDerWaalsContact NE2-NE2 3.1Å; H311-Q315 VanDerWaalsContact O-CB 3.27Å; H311-Q315 WeakPolarHBondContact O-CB 3.44Å; H311-Q315 PolarHBondContact O-N 3.29Å
312L80.4Confident75Confident0 Ų054 Ų540%028%0.278CS..Hα-helixtrans-60.3-38.5180-70.9169.7000112.6A291 F294 C308 L309 Q315 L316 V327 E330 I331 L334A291-L312 HydrophobicContact CB-CD2 3.69Å; F294-L312 HydrophobicContact CB-CD1 4.5Å; F294-L312 HydrophobicContact CB-CD2 4.16Å; F294-L312 HydrophobicContact CB-CG 4.3Å; C308-L312 VanDerWaalsContact O-CG 3.29Å; C308-L312 WeakPolarHBondContact O-CG 3.39Å; C308-L312 PolarHBondContact O-N 3.09Å; L309-L312 PolarHBondContact O-N 3.19Å; L312-Q315 WeakPolarHBondContact O-CB 3.48Å; L312-Q315 PolarHBondContact O-N 3.16Å; L312-L316 PolarHBondContact O-N 2.8Å; L312-V327 HydrophobicContact CB-CG1 4.27Å; L312-V327 HydrophobicContact CD2-CG1 4.35Å; L312-V327 WeakPolarHBondContact O-CG1 3.42Å; L312-E330 HydrophobicContact CD1-CB 4.26Å; L312-I331 HydrophobicContact CB-CD1 4.21Å; L312-I331 HydrophobicContact CB-CG1 3.81Å; L312-I331 HydrophobicContact CD1-CG1 4.28Å; L312-L334 HydrophobicContact CD1-CD1 3.62Å
313V79.3Confident74.7Confident0 Ų052.7 Ų52.70%027%0.271CS..Hα-helixtrans-71.9-42.8178.8177.10000111.4L309 H311 Q315 L316 A317 I331 A360 L363 I364 L367L309-V313 HydrophobicContact CG-CG2 4.38Å; L309-V313 WeakPolarHBondContact O-CB 3.16Å; L309-V313 WeakPolarHBondContact O-CG2 3.48Å; L309-V313 PolarHBondContact O-N 3.38Å; H311-V313 VanDerWaalsContact C-N 3.32Å; H311-V313 PolarHBondContact O-N 3.28Å; V313-Q315 PolarHBondContact O-N 3.48Å; V313-L316 WeakPolarHBondContact O-CB 3.49Å; V313-L316 PolarHBondContact O-N 2.65Å; V313-L316 VanDerWaalsContact O-N 3.16Å; V313-A317 PolarHBondContact O-N 3.34Å; V313-I331 HydrophobicContact CG2-CD1 3.95Å; V313-I331 HydrophobicContact CG2-CG1 4.47Å; V313-A360 HydrophobicContact CG1-CB 4.25Å; V313-A360 VanDerWaalsContact CG1-O 3.3Å; V313-A360 WeakPolarHBondContact CG1-O 3.23Å; V313-L363 HydrophobicContact CB-CB 4.48Å; V313-L363 HydrophobicContact CG1-CB 3.55Å; V313-L363 HydrophobicContact CG1-CD1 4.35Å; V313-L363 HydrophobicContact CG2-CB 4.01Å; V313-L363 HydrophobicContact CG2-CD1 4.02Å; V313-I364 HydrophobicContact CG1-CD1 4.3Å; V313-I364 HydrophobicContact CG1-CG1 3.62Å; V313-L367 HydrophobicContact CG2-CD1 4.27Å
314N78.2Confident74.6Confident70 Ų7046.2 Ų46.237%0.37424%0.241SC..Hα-helixtrans-59.4-38.4173.3-77.4-34.7000111.4M310 H311 A317 I364M310-N314 WeakPolarHBondContact O-CB 3.33Å; M310-N314 VanDerWaalsContact O-CG 3.27Å; M310-N314 PolarHBondContact O-N 2.77Å; M310-N314 VanDerWaalsContact O-N 3.09Å; M310-N314 PolarHBondContact O-ND2 3.19Å; H311-N314 PolarHBondContact O-N 2.99Å; N314-A317 WeakPolarHBondContact O-CB 3.25Å; N314-A317 PolarHBondContact O-N 3.46Å; N314-I364 WeakPolarHBondContact OD1-CD1 3.36Å
315Q75.6Confident74.3Confident11 Ų1151 Ų515%0.05126%0.263CS..Hα-helixtrans-64.1-43.3175.2-102.9-158.514.200112.2S280 H311 L312 V313 A317 S318 M319S280-Q315 VanDerWaalsContact CB-NE2 3.3Å; S280-Q315 PolarHBondContact OG-NE2 3.41Å; H311-Q315 PolarHBondContact CE1-NE2 2.51Å; H311-Q315 VanDerWaalsContact CE1-NE2 3.34Å; H311-Q315 PolarHBondContact NE2-NE2 3.45Å; H311-Q315 VanDerWaalsContact NE2-NE2 3.1Å; H311-Q315 VanDerWaalsContact O-CB 3.27Å; H311-Q315 WeakPolarHBondContact O-CB 3.44Å; H311-Q315 PolarHBondContact O-N 3.29Å; L312-Q315 WeakPolarHBondContact O-CB 3.48Å; L312-Q315 PolarHBondContact O-N 3.16Å; V313-Q315 PolarHBondContact O-N 3.48Å; Q315-A317 PolarHBondContact O-N 2.96Å; Q315-A317 VanDerWaalsContact O-N 3.12Å; Q315-S318 PolarHBondContact O-N 3.38Å; Q315-S318 VanDerWaalsContact O-N 3.1Å; Q315-S318 PolarHBondContact O-OG 2.94Å; Q315-M319 VanDerWaalsContact C-CE 3.42Å; Q315-M319 HydrophobicContact CB-CE 3.12Å; Q315-M319 HydrophobicContact CB-SD 4.48Å; Q315-M319 VanDerWaalsContact CD-CE 3.41Å; Q315-M319 HydrophobicContact CG-CE 3.35Å; Q315-M319 VanDerWaalsContact O-CE 3.29Å; Q315-M319 WeakPolarHBondContact O-CE 3.42Å; Q315-M319 WeakPolarHBondContact O-CG 3.25Å; Q315-M319 VanDerWaalsContact O-SD 3.37Å
316L74.2Confident74.2Confident0 Ų051.8 Ų51.80%027%0.268CS..Hα-helixtrans-56.7-28.6174.7-170.572000113.1L312 V313 H324 V327 L328 I331 F356 I359 A360L312-L316 PolarHBondContact O-N 2.8Å; V313-L316 WeakPolarHBondContact O-CB 3.49Å; V313-L316 PolarHBondContact O-N 2.65Å; V313-L316 VanDerWaalsContact O-N 3.16Å; L316-H324 HydrophobicContact CD1-CB 4.49Å; L316-V327 HydrophobicContact CB-CG1 4.34Å; L316-V327 HydrophobicContact CD1-CG1 4.28Å; L316-L328 HydrophobicContact CD1-CD2 4.07Å; L316-L328 HydrophobicContact CD1-CG 4.02Å; L316-L328 HydrophobicContact CD2-CD2 3.77Å; L316-I331 HydrophobicContact CD2-CD1 4.39Å; L316-F356 HydrophobicContact CD1-CB 4.38Å; L316-F356 HydrophobicContact CG-CB 4.39Å; L316-I359 HydrophobicContact CD2-CB 4.49Å; L316-I359 HydrophobicContact CD2-CG2 4.15Å; L316-A360 HydrophobicContact CB-CB 4.14Å; L316-A360 HydrophobicContact CD2-CB 4.11Å; L316-A360 HydrophobicContact CG-CB 4.27Å
317A68.2Low74.2Confident39 Ų3947.9 Ų47.932%0.32225%0.253SS..Hα-helixtrans-75.6-22.8-179.900000114V313 N314 Q315 A360V313-A317 PolarHBondContact O-N 3.34Å; N314-A317 WeakPolarHBondContact O-CB 3.25Å; N314-A317 PolarHBondContact O-N 3.46Å; Q315-A317 PolarHBondContact O-N 2.96Å; Q315-A317 VanDerWaalsContact O-N 3.12Å; A317-A360 HydrophobicContact CB-CB 3.76Å
318S63.2Low74Confident97 Ų9744.7 Ų44.768%0.67824%0.237SC*.SBendtrans-114.89.7-167.468.10000114.9Q315Q315-S318 PolarHBondContact O-N 3.38Å; Q315-S318 VanDerWaalsContact O-N 3.1Å; Q315-S318 PolarHBondContact O-OG 2.94Å
319M65.3Low73.8Confident29 Ų2949.1 Ų49.114%0.14326%0.26CS..  trans-104161.2-166.8-80174.3-166.600116.3I287 Q315 H324 V327I287-M319 HydrophobicContact CB-CE 4.12Å; I287-M319 HydrophobicContact CD1-CE 3.88Å; I287-M319 HydrophobicContact CD1-CG 4.15Å; I287-M319 HydrophobicContact CG1-CE 4.04Å; I287-M319 HydrophobicContact CG2-CE 3.05Å; I287-M319 HydrophobicContact CG2-CG 4.32Å; I287-M319 HydrophobicContact CG2-SD 3.52Å; I287-M319 VanDerWaalsContact CG2-SD 3.52Å; Q315-M319 VanDerWaalsContact C-CE 3.42Å; Q315-M319 HydrophobicContact CB-CE 3.12Å; Q315-M319 HydrophobicContact CB-SD 4.48Å; Q315-M319 VanDerWaalsContact CD-CE 3.41Å; Q315-M319 HydrophobicContact CG-CE 3.35Å; Q315-M319 VanDerWaalsContact O-CE 3.29Å; Q315-M319 WeakPolarHBondContact O-CE 3.42Å; Q315-M319 WeakPolarHBondContact O-CG 3.25Å; Q315-M319 VanDerWaalsContact O-SD 3.37Å; M319-H324 PolarHBondContact O-CE1 2.96Å; M319-H324 VanDerWaalsContact O-CE1 3.3Å; M319-V327 HydrophobicContact CE-CG2 4.37Å; M319-V327 HydrophobicContact SD-CG2 4.03Å
320E58.7Low73.8Confident157 Ų15750 Ų5073%0.73426%0.264SS*.  trans-79.1151.9163.8-64.4-177.7170.500112S322 H324E320-S322 PolarHBondContact O-N 3.36Å; E320-H324 PolarHBondContact O-CE1 2.99Å; E320-H324 PolarHBondContact O-ND1 3.44Å
321H64.7Low73.7Confident156 Ų15647.3 Ų47.372%0.72225%0.251SS*.THydrogen-bonded Turntrans-56.6-17.3-170.2-71-63000116.6F323 H324 F356H321-F323 PolarHBondContact O-N 2.82Å; H321-H324 WeakPolarHBondContact CA-ND1 3.45Å; H321-F356 AromaticContact ND1-CE2 3.96Å
322S65Low73.6Confident62 Ų6251.5 Ų51.543%0.43427%0.269SS..THydrogen-bonded Turntrans-66.9-33.7-172.248.40000115.2E320 H325E320-S322 PolarHBondContact O-N 3.36Å; S322-H325 PolarHBondContact O-CE1 3.24Å; S322-H325 PolarHBondContact O-ND1 3.18Å
323F72.8Confident73.5Confident65 Ų6553.6 Ų53.629%0.28528%0.28SS..SBendtrans-108.3-2.4-173.5-56.1-67.4000115I287 H321 H325 V326 V327I287-F323 HydrophobicContact CG2-CB 4.33Å; H321-F323 PolarHBondContact O-N 2.82Å; F323-H325 VanDerWaalsContact C-N 3.28Å; F323-H325 PolarHBondContact O-N 3.31Å; F323-V326 PolarHBondContact O-N 3.02Å; F323-V326 VanDerWaalsContact O-N 3.09Å; F323-V327 PolarHBondContact O-N 3.08Å
324H74.2Confident73.5Confident6 Ų653.7 Ų53.73%0.02828%0.281CS..Hα-helixtrans-56.8-39.2-175.9-76.478.6000113.1L316 M319 E320 H321 V326 V327 L328 F356L316-H324 HydrophobicContact CD1-CB 4.49Å; M319-H324 PolarHBondContact O-CE1 2.96Å; M319-H324 VanDerWaalsContact O-CE1 3.3Å; E320-H324 PolarHBondContact O-CE1 2.99Å; E320-H324 PolarHBondContact O-ND1 3.44Å; H321-H324 WeakPolarHBondContact CA-ND1 3.45Å; H324-V326 PolarHBondContact O-N 3.2Å; H324-V327 PolarHBondContact O-N 2.89Å; H324-L328 WeakPolarHBondContact O-CB 3.42Å; H324-L328 WeakPolarHBondContact O-CD1 3.44Å; H324-L328 WeakPolarHBondContact O-CG 3.49Å; H324-L328 PolarHBondContact O-N 3.28Å; H324-F356 HydrophobicContact CB-CD1 4.39Å; H324-F356 HydrophobicContact CB-CD2 4.26Å; H324-F356 HydrophobicContact CB-CE1 4.28Å; H324-F356 HydrophobicContact CB-CE2 4.13Å; H324-F356 HydrophobicContact CB-CG 4.4Å; H324-F356 HydrophobicContact CB-CZ 4.13Å; H324-F356 WeakPolarHBondContact CD2-CB 3.43Å; H324-F356 AromaticContact CD2-CD1 3.85Å; H324-F356 AromaticContact CD2-CD2 3.3Å; H324-F356 WeakPolarHBondContact CD2-CD2 3.39Å; H324-F356 AromaticContact CD2-CG 3.2Å; H324-F356 WeakPolarHBondContact CD2-CG 3.28Å; H324-F356 AromaticContact CG-CD2 3.81Å; H324-F356 AromaticContact NE2-CD2 3.7Å; H324-F356 AromaticContact NE2-CG 3.8Å
325H73.9Confident73.3Confident128 Ų12851.1 Ų51.159%0.59327%0.267SS*.Hα-helixtrans-64.7-37.1179.272-80.7000112.8S322 F323 L329S322-H325 PolarHBondContact O-CE1 3.24Å; S322-H325 PolarHBondContact O-ND1 3.18Å; F323-H325 VanDerWaalsContact C-N 3.28Å; F323-H325 PolarHBondContact O-N 3.31Å; H325-L329 WeakPolarHBondContact O-CB 3.19Å; H325-L329 PolarHBondContact O-N 3.16Å
326V79.4Confident73.4Confident19 Ų1955.3 Ų55.312%0.11529%0.29CS..Hα-helixtrans-68.7-45.6178-177.30000110.2K292 F323 H324 L329 E330K292-V326 HydrophobicContact CG-CG1 4.02Å; F323-V326 PolarHBondContact O-N 3.02Å; F323-V326 VanDerWaalsContact O-N 3.09Å; H324-V326 PolarHBondContact O-N 3.2Å; V326-L329 PolarHBondContact O-N 2.83Å; V326-E330 PolarHBondContact O-N 2.93Å
327V79.4Confident73.5Confident0 Ų058.8 Ų58.80%031%0.311CS..Hα-helixtrans-64.6-44.9-180176.90000110.8A291 L312 L316 M319 F323 H324 L329 E330 I331A291-V327 HydrophobicContact CB-CG2 3.93Å; L312-V327 HydrophobicContact CB-CG1 4.27Å; L312-V327 HydrophobicContact CD2-CG1 4.35Å; L312-V327 WeakPolarHBondContact O-CG1 3.42Å; L316-V327 HydrophobicContact CB-CG1 4.34Å; L316-V327 HydrophobicContact CD1-CG1 4.28Å; M319-V327 HydrophobicContact CE-CG2 4.37Å; M319-V327 HydrophobicContact SD-CG2 4.03Å; F323-V327 PolarHBondContact O-N 3.08Å; H324-V327 PolarHBondContact O-N 2.89Å; V327-L329 VanDerWaalsContact C-N 3.31Å; V327-L329 PolarHBondContact O-N 3.2Å; V327-E330 PolarHBondContact O-N 3.17Å; V327-I331 HydrophobicContact CG1-CD1 3.81Å; V327-I331 HydrophobicContact CG1-CG1 4.34Å; V327-I331 VanDerWaalsContact O-CG1 3.27Å; V327-I331 WeakPolarHBondContact O-CG1 3.35Å; V327-I331 PolarHBondContact O-N 3.12Å
328L75.8Confident73.9Confident29 Ų2958.9 Ų58.915%0.15231%0.305CS..Hα-helixtrans-62.3-38176.8-70.9167.1000112.4L316 H324 I331 K332 Y350 F356L316-L328 HydrophobicContact CD1-CD2 4.07Å; L316-L328 HydrophobicContact CD1-CG 4.02Å; L316-L328 HydrophobicContact CD2-CD2 3.77Å; H324-L328 WeakPolarHBondContact O-CB 3.42Å; H324-L328 WeakPolarHBondContact O-CD1 3.44Å; H324-L328 WeakPolarHBondContact O-CG 3.49Å; H324-L328 PolarHBondContact O-N 3.28Å; L328-I331 PolarHBondContact O-N 3.45Å; L328-K332 WeakPolarHBondContact O-CB 3.33Å; L328-K332 PolarHBondContact O-N 3.45Å; L328-Y350 HydrophobicContact CD2-CD1 4.31Å; L328-Y350 HydrophobicContact CD2-CE1 3.74Å; L328-F356 HydrophobicContact CD1-CD1 3.75Å; L328-F356 HydrophobicContact CD1-CE1 3.42Å; L328-F356 VanDerWaalsContact CD1-CE1 3.42Å; L328-F356 HydrophobicContact CD1-CZ 4.48Å
329L79.1Confident74.1Confident93 Ų9359.2 Ų59.249%0.48731%0.307SS..Hα-helixtrans-63.8-43.3175.5-175.565.6000111.4H325 V326 V327 K332 N333H325-L329 WeakPolarHBondContact O-CB 3.19Å; H325-L329 PolarHBondContact O-N 3.16Å; V326-L329 PolarHBondContact O-N 2.83Å; V327-L329 VanDerWaalsContact C-N 3.31Å; V327-L329 PolarHBondContact O-N 3.2Å; L329-K332 PolarHBondContact O-N 3.25Å; L329-N333 WeakPolarHBondContact O-CB 3.46Å; L329-N333 PolarHBondContact O-N 2.86Å; L329-N333 PolarHBondContact O-ND2 3.39Å; L329-N333 PolarHBondContact O-OD1 2.89Å
330E82Confident74Confident19 Ų1960.4 Ų60.49%0.08933%0.327CS..Hα-helixtrans-70.3-37.3177.3-65.7-58.5160.900112.7R299 L312 V326 V327 K332 N333 L334R299-E330 IonicContact NH2-OE2 3.58Å; L312-E330 HydrophobicContact CD1-CB 4.26Å; V326-E330 PolarHBondContact O-N 2.93Å; V327-E330 PolarHBondContact O-N 3.17Å; E330-K332 VanDerWaalsContact C-N 3.35Å; E330-N333 PolarHBondContact O-N 3.01Å; E330-L334 WeakPolarHBondContact O-CG 3.46Å; E330-L334 PolarHBondContact O-N 3.19Å
331I77.6Confident74.4Confident0 Ų053 Ų530%029%0.292CS..Hα-helixtrans-59.3-49.3171.6-66.5167.6000109.2L309 L312 V313 L316 V327 L328 N333 L334 T335 Y350L309-I331 HydrophobicContact CD1-CG2 3.96Å; L312-I331 HydrophobicContact CB-CD1 4.21Å; L312-I331 HydrophobicContact CB-CG1 3.81Å; L312-I331 HydrophobicContact CD1-CG1 4.28Å; V313-I331 HydrophobicContact CG2-CD1 3.95Å; V313-I331 HydrophobicContact CG2-CG1 4.47Å; L316-I331 HydrophobicContact CD2-CD1 4.39Å; V327-I331 HydrophobicContact CG1-CD1 3.81Å; V327-I331 HydrophobicContact CG1-CG1 4.34Å; V327-I331 VanDerWaalsContact O-CG1 3.27Å; V327-I331 WeakPolarHBondContact O-CG1 3.35Å; V327-I331 PolarHBondContact O-N 3.12Å; L328-I331 PolarHBondContact O-N 3.45Å; I331-N333 PolarHBondContact O-N 3.46Å; I331-L334 PolarHBondContact O-N 3.19Å; I331-T335 HydrophobicContact CG2-CG2 4.33Å; I331-T335 VanDerWaalsContact O-CG2 3.23Å; I331-T335 WeakPolarHBondContact O-CG2 3.25Å; I331-T335 PolarHBondContact O-N 3.08Å; I331-T335 PolarHBondContact O-OG1 3.21Å; I331-Y350 WeakPolarHBondContact CG2-OH 3.47Å
332K77.6Confident74.2Confident102 Ų10245.8 Ų45.844%0.44326%0.259SS..Hα-helixtrans-57.9-47.2177.1-176.7-173.9173.9-170.70111.7L328 L329 E330 L334 T335 D336L328-K332 WeakPolarHBondContact O-CB 3.33Å; L328-K332 PolarHBondContact O-N 3.45Å; L329-K332 PolarHBondContact O-N 3.25Å; E330-K332 VanDerWaalsContact C-N 3.35Å; K332-L334 VanDerWaalsContact C-N 3.3Å; K332-L334 PolarHBondContact O-N 2.99Å; K332-T335 WeakPolarHBondContact CA-OG1 3.31Å; K332-T335 PolarHBondContact O-N 3.38Å; K332-T335 PolarHBondContact O-OG1 3.23Å; K332-D336 WeakPolarHBondContact CE-OD2 3.36Å; K332-D336 WeakPolarHBondContact O-CB 3.38Å; K332-D336 VanDerWaalsContact O-CG 3.24Å; K332-D336 PolarHBondContact O-N 3.4Å
333N79.6Confident73.8Confident44 Ų4444.4 Ų44.424%0.23525%0.254CS..Hα-helixtrans-59.1-41179.2-70.4-22.9000111.9L329 E330 I331 T337L329-N333 WeakPolarHBondContact O-CB 3.46Å; L329-N333 PolarHBondContact O-N 2.86Å; L329-N333 PolarHBondContact O-ND2 3.39Å; L329-N333 PolarHBondContact O-OD1 2.89Å; E330-N333 PolarHBondContact O-N 3.01Å; I331-N333 PolarHBondContact O-N 3.46Å; N333-T337 WeakPolarHBondContact O-CB 3.46Å; N333-T337 PolarHBondContact O-N 2.79Å; N333-T337 VanDerWaalsContact O-N 3.09Å; N333-T337 PolarHBondContact O-OG1 3.04Å
334L79.9Confident72.9Confident2 Ų247.9 Ų47.91%0.0128%0.281CS..Hα-helixtrans-67.5-41.8177.1-73.3171.1000112.1R299 A305 C308 L309 L312 E330 I331 K332 T337 F338R299-L334 HydrophobicContact CG-CD2 3.86Å; A305-L334 HydrophobicContact CB-CD2 4.5Å; C308-L334 HydrophobicContact CB-CD1 4.4Å; L309-L334 HydrophobicContact CD1-CB 3.99Å; L309-L334 HydrophobicContact CD1-CD1 4.34Å; L312-L334 HydrophobicContact CD1-CD1 3.62Å; E330-L334 WeakPolarHBondContact O-CG 3.46Å; E330-L334 PolarHBondContact O-N 3.19Å; I331-L334 PolarHBondContact O-N 3.19Å; K332-L334 VanDerWaalsContact C-N 3.3Å; K332-L334 PolarHBondContact O-N 2.99Å; L334-T337 PolarHBondContact O-N 3.23Å; L334-F338 PolarHBondContact O-N 3.29Å
335T74Confident71.7Confident15 Ų1553.7 Ų53.79%0.09231%0.308CS..Hα-helixtrans-72.4-32.1-179.356.80000112.5L309 I331 K332 F338 S339 L342L309-T335 HydrophobicContact CD1-CG2 3.66Å; I331-T335 HydrophobicContact CG2-CG2 4.33Å; I331-T335 VanDerWaalsContact O-CG2 3.23Å; I331-T335 WeakPolarHBondContact O-CG2 3.25Å; I331-T335 PolarHBondContact O-N 3.08Å; I331-T335 PolarHBondContact O-OG1 3.21Å; K332-T335 WeakPolarHBondContact CA-OG1 3.31Å; K332-T335 PolarHBondContact O-N 3.38Å; K332-T335 PolarHBondContact O-OG1 3.23Å; T335-F338 CarbonylContact O-C 3.46Å; T335-F338 VanDerWaalsContact O-C 3.3Å; T335-S339 VanDerWaalsContact O-CA 3.3Å; T335-S339 WeakPolarHBondContact O-CA 3.48Å; T335-S339 PolarHBondContact O-N 3Å; T335-L342 HydrophobicContact CG2-CD1 3.19Å; T335-L342 HydrophobicContact CG2-CG 4.02Å
336D77Confident70.6Confident100 Ų10048.8 Ų48.854%0.53529%0.288SS..Hα-helixtrans-70-36.1173-72.4-14.5000110.8K332K332-D336 WeakPolarHBondContact CE-OD2 3.36Å; K332-D336 WeakPolarHBondContact O-CB 3.38Å; K332-D336 VanDerWaalsContact O-CG 3.24Å; K332-D336 PolarHBondContact O-N 3.4Å
337T76.4Confident69.4Low72 Ų7257.6 Ų57.644%0.44232%0.319SS..Hα-helixtrans-72.7-38.3177.8-52.40000111.9R299 N333 L334R299-T337 HydrophobicContact CG-CG2 4.4Å; N333-T337 WeakPolarHBondContact O-CB 3.46Å; N333-T337 PolarHBondContact O-N 2.79Å; N333-T337 VanDerWaalsContact O-N 3.09Å; N333-T337 PolarHBondContact O-OG1 3.04Å; L334-T337 PolarHBondContact O-N 3.23Å
338F77.3Confident68Low42 Ų4261.4 Ų61.418%0.18434%0.34CS..  trans-12474.3179.5-60.5-74.6000110.6G298 E302 A305 L334 T335 G340 I341G298-F338 WeakPolarHBondContact O-CE2 3.29Å; E302-F338 HydrophobicContact CB-CD1 4.07Å; E302-F338 HydrophobicContact CB-CE1 4.22Å; E302-F338 HydrophobicContact CG-CD1 4.19Å; E302-F338 HydrophobicContact CG-CG 4.47Å; A305-F338 HydrophobicContact CB-CD2 3.46Å; A305-F338 VanDerWaalsContact CB-CD2 3.46Å; A305-F338 HydrophobicContact CB-CE2 3.72Å; A305-F338 HydrophobicContact CB-CG 4.26Å; L334-F338 PolarHBondContact O-N 3.29Å; T335-F338 CarbonylContact O-C 3.46Å; T335-F338 VanDerWaalsContact O-C 3.3Å; F338-G340 PolarHBondContact O-N 3.4Å; F338-I341 HydrophobicContact CB-CD1 3.4Å; F338-I341 VanDerWaalsContact CB-CD1 3.4Å; F338-I341 HydrophobicContact CB-CG1 3.81Å; F338-I341 HydrophobicContact CD2-CD1 4.33Å; F338-I341 HydrophobicContact CG-CD1 4.04Å; F338-I341 PolarHBondContact O-N 2.87Å; F338-I341 VanDerWaalsContact O-N 3.1Å
339S66.4Low66.9Low103 Ų10360.6 Ų60.672%0.7234%0.335SS*.THydrogen-bonded Turntrans-61-11.9-176.259.90000114.9T335T335-S339 VanDerWaalsContact O-CA 3.3Å; T335-S339 WeakPolarHBondContact O-CA 3.48Å; T335-S339 PolarHBondContact O-N 3Å
340G63.8Low65.8Low54 Ų5460 Ų6056%0.55733%0.327SS*.THydrogen-bonded Turntrans-83.3-7.2176.200000115.4F338F338-G340 PolarHBondContact O-N 3.4Å
341I65.6Low64.3Low3 Ų367.6 Ų67.62%0.01536%0.355CS..SBendtrans-84.4-33.3-171.4-64.6178.4000114E302 A305 R306 L309 F338 L367E302-I341 HydrophobicContact CG-CD1 3.78Å; E302-I341 HydrophobicContact CG-CG1 3.84Å; A305-I341 HydrophobicContact CB-CD1 3.52Å; R306-I341 HydrophobicContact CG-CD1 4.07Å; R306-I341 HydrophobicContact CG-CG1 4.3Å; R306-I341 HydrophobicContact CG-CG2 3.98Å; L309-I341 HydrophobicContact CD2-CG2 4.28Å; F338-I341 HydrophobicContact CB-CD1 3.4Å; F338-I341 VanDerWaalsContact CB-CD1 3.4Å; F338-I341 HydrophobicContact CB-CG1 3.81Å; F338-I341 HydrophobicContact CD2-CD1 4.33Å; F338-I341 HydrophobicContact CG-CD1 4.04Å; F338-I341 PolarHBondContact O-N 2.87Å; F338-I341 VanDerWaalsContact O-N 3.1Å; I341-L367 HydrophobicContact CG2-CD2 3.93Å
342L60.4Low62.6Low4 Ų474.8 Ų74.82%0.02139%0.39CS..SBendtrans-114.48.4-176.8-72.7178.9000113.9L309 T335 L363 Q366 L367L309-L342 HydrophobicContact CD2-CD1 4.43Å; L309-L342 HydrophobicContact CD2-CD2 4.11Å; L309-L342 HydrophobicContact CD2-CG 4.27Å; T335-L342 HydrophobicContact CG2-CD1 3.19Å; T335-L342 HydrophobicContact CG2-CG 4.02Å; L342-L363 HydrophobicContact CD1-CD2 3.78Å; L342-L363 HydrophobicContact CD2-CD2 4.16Å; L342-Q366 PolarHBondContact O-OE1 3.34Å; L342-L367 HydrophobicContact CD2-CD1 4.47Å; L342-L367 HydrophobicContact CD2-CD2 3.68Å; L342-L367 HydrophobicContact CD2-CG 3.8Å
343G58.5Low61.2Low32 Ų3271.3 Ų71.333%0.3338%0.379SS..  trans60.4177-175.500000114.7Q345 S346G343-Q345 PolarHBondContact O-N 3.05Å; G343-Q345 VanDerWaalsContact O-N 3.15Å; G343-S346 PolarHBondContact O-N 3.34Å; G343-S346 PolarHBondContact O-OG 3.21Å; G343-S346 VanDerWaalsContact O-OG 3.12Å
344T52.5Low60.1Low139 Ų13978.1 Ų78.185%0.85342%0.415SS*.THydrogen-bonded Turntrans-66.8-11.9-176.847.50000114.4
345Q49.2Very low59.2Low128 Ų12880.8 Ų80.860%0.59843%0.434SS*.THydrogen-bonded Turntrans-87.9-7.4-176.6-63.2-175.91.300114.2G343 R347 D348G343-Q345 PolarHBondContact O-N 3.05Å; G343-Q345 VanDerWaalsContact O-N 3.15Å; Q345-R347 VanDerWaalsContact C-N 3.3Å; Q345-R347 PolarHBondContact O-N 3.49Å; Q345-D348 PolarHBondContact O-N 3.39Å
346S50.8Low58.7Low24 Ų2483.4 Ų83.417%0.16844%0.444CS..Hα-helixtrans-62.6-30-176.955.90000114.7G343 D348 I349 Y350G343-S346 PolarHBondContact O-N 3.34Å; G343-S346 PolarHBondContact O-OG 3.21Å; G343-S346 VanDerWaalsContact O-OG 3.12Å; S346-D348 PolarHBondContact O-N 2.89Å; S346-I349 PolarHBondContact O-N 3.49Å; S346-Y350 WeakPolarHBondContact O-CD2 3.13Å
347R53.9Low58Low205 Ų20581.4 Ų81.477%0.77444%0.436SS*.Hα-helixtrans-65.2-25.7178.8-78.6-177.3170.7179.8-2.1113.5Q345Q345-R347 VanDerWaalsContact C-N 3.3Å; Q345-R347 PolarHBondContact O-N 3.49Å
348D50.6Low57.4Low80 Ų8079.7 Ų79.743%0.42843%0.429SS..Hα-helixtrans-88-21.7-177.8-64.3-40.1000112.4Q345 S346 Y350 R351 M352Q345-D348 PolarHBondContact O-N 3.39Å; S346-D348 PolarHBondContact O-N 2.89Å; D348-Y350 VanDerWaalsContact C-N 3.31Å; D348-Y350 PolarHBondContact O-N 3.44Å; D348-R351 WeakPolarHBondContact O-CA 3.33Å; D348-R351 WeakPolarHBondContact O-CB 3.32Å; D348-R351 PolarHBondContact O-N 3.03Å; D348-M352 HydrophobicContact CB-SD 4.47Å; D348-M352 VanDerWaalsContact O-CG 3.25Å; D348-M352 WeakPolarHBondContact O-CG 3.36Å; D348-M352 PolarHBondContact O-N 3.22Å
349I53.6Low56.9Low12 Ų1278.1 Ų78.16%0.06242%0.422CS..Hα-helixtrans-64.6-36.5-177.7-59.9176.9000111.7S346 R351 I359 L362 L363S346-I349 PolarHBondContact O-N 3.49Å; I349-R351 VanDerWaalsContact C-N 3.25Å; I349-R351 PolarHBondContact O-N 3.28Å; I349-I359 HydrophobicContact CG2-CG2 4.21Å; I349-L362 HydrophobicContact CG2-CB 4.05Å; I349-L362 HydrophobicContact CG2-CD1 4.35Å; I349-L363 HydrophobicContact CD1-CD2 4.01Å; I349-L363 HydrophobicContact CG2-CD2 4.33Å; I349-L363 HydrophobicContact CG2-CG 4.22Å
350Y54.5Low56.7Low80 Ų8073.2 Ų73.231%0.31439%0.388SS..THydrogen-bonded Turntrans-72.2-18.1174.5-61.8-79.6000113.3L328 I331 S346 D348L328-Y350 HydrophobicContact CD2-CD1 4.31Å; L328-Y350 HydrophobicContact CD2-CE1 3.74Å; I331-Y350 WeakPolarHBondContact CG2-OH 3.47Å; S346-Y350 WeakPolarHBondContact O-CD2 3.13Å; D348-Y350 VanDerWaalsContact C-N 3.31Å; D348-Y350 PolarHBondContact O-N 3.44Å
351R51.3Low56.9Low179 Ų17977.4 Ų77.468%0.67539%0.391SS*.THydrogen-bonded Turntrans-91.9-21.5178.7-71.3177.9164.9-168.8-11.1113.3D348 I349D348-R351 WeakPolarHBondContact O-CA 3.33Å; D348-R351 WeakPolarHBondContact O-CB 3.32Å; D348-R351 PolarHBondContact O-N 3.03Å; I349-R351 VanDerWaalsContact C-N 3.25Å; I349-R351 PolarHBondContact O-N 3.28Å
352M42.5Very low57Low151 Ų15181 Ų8174%0.74441%0.41SS*.SBendtrans-95.8-4.6-165.8-74.9-17179.600116.2D348D348-M352 HydrophobicContact CB-SD 4.47Å; D348-M352 VanDerWaalsContact O-CG 3.25Å; D348-M352 WeakPolarHBondContact O-CG 3.36Å; D348-M352 PolarHBondContact O-N 3.22Å
353S47.4Very low57.4Low28 Ų2880.8 Ų80.820%0.19641%0.409CS..  trans-148.6140.3178.8790000115.2S355 I359S353-S355 VanDerWaalsContact C-N 3.26Å; S353-S355 PolarHBondContact O-N 2.91Å; S353-S355 PolarHBondContact OG-O 3.07Å; S353-I359 WeakPolarHBondContact OG-CG1 3.5Å
354N56.8Low57.9Low188 Ų18880.7 Ų80.7100%1.00540%0.4SS*.SBendtrans-85.18.7178-64.6-18.2000113.1
355S60.9Low58.6Low58 Ų5882.2 Ų82.241%0.40639%0.39SS..  trans-132.9122.1-174.4174.20000111.1S353 T357 A358 I359S353-S355 VanDerWaalsContact C-N 3.26Å; S353-S355 PolarHBondContact O-N 2.91Å; S353-S355 PolarHBondContact OG-O 3.07Å; S355-T357 PolarHBondContact O-N 3.31Å; S355-A358 WeakPolarHBondContact O-CB 3.29Å; S355-A358 PolarHBondContact O-N 3.28Å; S355-I359 PolarHBondContact O-N 3.01Å; S355-I359 VanDerWaalsContact O-N 3.14Å
356F64.2Low59.5Low69 Ų6977.9 Ų77.930%0.30337%0.37SS..Hα-helixtrans-59.8-30.8-179.5-61.4-65000113.5L316 H321 H324 L328 A358 I359 A360L316-F356 HydrophobicContact CD1-CB 4.38Å; L316-F356 HydrophobicContact CG-CB 4.39Å; H321-F356 AromaticContact ND1-CE2 3.96Å; H324-F356 HydrophobicContact CB-CD1 4.39Å; H324-F356 HydrophobicContact CB-CD2 4.26Å; H324-F356 HydrophobicContact CB-CE1 4.28Å; H324-F356 HydrophobicContact CB-CE2 4.13Å; H324-F356 HydrophobicContact CB-CG 4.4Å; H324-F356 HydrophobicContact CB-CZ 4.13Å; H324-F356 WeakPolarHBondContact CD2-CB 3.43Å; H324-F356 AromaticContact CD2-CD1 3.85Å; H324-F356 AromaticContact CD2-CD2 3.3Å; H324-F356 WeakPolarHBondContact CD2-CD2 3.39Å; H324-F356 AromaticContact CD2-CG 3.2Å; H324-F356 WeakPolarHBondContact CD2-CG 3.28Å; H324-F356 AromaticContact CG-CD2 3.81Å; H324-F356 AromaticContact NE2-CD2 3.7Å; H324-F356 AromaticContact NE2-CG 3.8Å; L328-F356 HydrophobicContact CD1-CD1 3.75Å; L328-F356 HydrophobicContact CD1-CE1 3.42Å; L328-F356 VanDerWaalsContact CD1-CE1 3.42Å; L328-F356 HydrophobicContact CD1-CZ 4.48Å; F356-A358 VanDerWaalsContact C-N 3.33Å; F356-I359 HydrophobicContact CD1-CD1 4.38Å; F356-I359 PolarHBondContact O-N 2.92Å; F356-A360 WeakPolarHBondContact O-CB 3.31Å; F356-A360 PolarHBondContact O-N 3.19Å
357T62.6Low60.3Low58 Ų5877.1 Ų77.136%0.35636%0.364SS..Hα-helixtrans-68.1-32.8174.9-43.60000112.1S355 K361S355-T357 PolarHBondContact O-N 3.31Å; T357-K361 WeakPolarHBondContact O-CG 3.42Å; T357-K361 PolarHBondContact O-N 3.38Å; T357-K361 VanDerWaalsContact O-N 3.1Å
358A62.9Low60.8Low36 Ų3672.3 Ų72.330%0.29835%0.351SS..Hα-helixtrans-72.9-41.117500000111.3S355 F356 A360 K361 L362S355-A358 WeakPolarHBondContact O-CB 3.29Å; S355-A358 PolarHBondContact O-N 3.28Å; F356-A358 VanDerWaalsContact C-N 3.33Å; A358-A360 VanDerWaalsContact C-N 3.35Å; A358-A360 PolarHBondContact O-N 3.44Å; A358-K361 PolarHBondContact O-N 2.9Å; A358-L362 WeakPolarHBondContact O-CG 3.28Å; A358-L362 PolarHBondContact O-N 2.92Å; A358-L362 VanDerWaalsContact O-N 3.09Å
359I66.4Low61.2Low10 Ų1072.7 Ų72.75%0.05135%0.353CS..Hα-helixtrans-56.8-48.9171.2-60.1-179.6000110.2L316 I349 S353 S355 F356 K361 L362 L363L316-I359 HydrophobicContact CD2-CB 4.49Å; L316-I359 HydrophobicContact CD2-CG2 4.15Å; I349-I359 HydrophobicContact CG2-CG2 4.21Å; S353-I359 WeakPolarHBondContact OG-CG1 3.5Å; S355-I359 PolarHBondContact O-N 3.01Å; S355-I359 VanDerWaalsContact O-N 3.14Å; F356-I359 HydrophobicContact CD1-CD1 4.38Å; F356-I359 PolarHBondContact O-N 2.92Å; I359-K361 PolarHBondContact O-N 3.3Å; I359-L362 PolarHBondContact O-N 3.05Å; I359-L363 HydrophobicContact CG2-CD1 3.82Å; I359-L363 HydrophobicContact CG2-CG 4.43Å; I359-L363 WeakPolarHBondContact O-CG 3.28Å; I359-L363 PolarHBondContact O-N 3.2Å
360A62.9Low61.1Low0 Ų074.8 Ų74.80%036%0.364CS..Hα-helixtrans-60.4-45.8179.900000112.5V313 L316 A317 F356 A358 L362 L363 I364V313-A360 HydrophobicContact CG1-CB 4.25Å; V313-A360 VanDerWaalsContact CG1-O 3.3Å; V313-A360 WeakPolarHBondContact CG1-O 3.23Å; L316-A360 HydrophobicContact CB-CB 4.14Å; L316-A360 HydrophobicContact CD2-CB 4.11Å; L316-A360 HydrophobicContact CG-CB 4.27Å; A317-A360 HydrophobicContact CB-CB 3.76Å; F356-A360 WeakPolarHBondContact O-CB 3.31Å; F356-A360 PolarHBondContact O-N 3.19Å; A358-A360 VanDerWaalsContact C-N 3.35Å; A358-A360 PolarHBondContact O-N 3.44Å; A360-L362 VanDerWaalsContact C-N 3.35Å; A360-L362 PolarHBondContact O-N 2.88Å; A360-L363 PolarHBondContact O-N 3.41Å; A360-I364 VanDerWaalsContact O-CG1 3.27Å; A360-I364 WeakPolarHBondContact O-CG1 3.2Å; A360-I364 PolarHBondContact O-N 3.38Å
361K68.6Low60.7Low141 Ų14175.1 Ų75.161%0.61338%0.378SS*.Hα-helixtrans-62.2-38.6177.9-75.9177.7179.2-1790113.2T357 A358 I359 R365T357-K361 WeakPolarHBondContact O-CG 3.42Å; T357-K361 PolarHBondContact O-N 3.38Å; T357-K361 VanDerWaalsContact O-N 3.1Å; A358-K361 PolarHBondContact O-N 2.9Å; I359-K361 PolarHBondContact O-N 3.3Å; K361-R365 PolarHBondContact O-N 3.48Å; K361-R365 VanDerWaalsContact O-N 3.16Å
362L67.4Low60.1Low79 Ų7971.4 Ų71.441%0.41438%0.375SS..Hα-helixtrans-68-41.5176.9-71.9171.2000111.6I349 A358 I359 A360 R365 Q366I349-L362 HydrophobicContact CG2-CB 4.05Å; I349-L362 HydrophobicContact CG2-CD1 4.35Å; A358-L362 WeakPolarHBondContact O-CG 3.28Å; A358-L362 PolarHBondContact O-N 2.92Å; A358-L362 VanDerWaalsContact O-N 3.09Å; I359-L362 PolarHBondContact O-N 3.05Å; A360-L362 VanDerWaalsContact C-N 3.35Å; A360-L362 PolarHBondContact O-N 2.88Å; L362-R365 PolarHBondContact O-N 3.47Å; L362-Q366 PolarHBondContact O-N 3.16Å; L362-Q366 VanDerWaalsContact O-N 3.14Å
363L68.1Low59.9Low0 Ų067.8 Ų67.80%037%0.365CS..Hα-helixtrans-65.6-42176.2-72.1171.8000112.2V313 L342 I349 I359 A360 R365 Q366 L367V313-L363 HydrophobicContact CB-CB 4.48Å; V313-L363 HydrophobicContact CG1-CB 3.55Å; V313-L363 HydrophobicContact CG1-CD1 4.35Å; V313-L363 HydrophobicContact CG2-CB 4.01Å; V313-L363 HydrophobicContact CG2-CD1 4.02Å; L342-L363 HydrophobicContact CD1-CD2 3.78Å; L342-L363 HydrophobicContact CD2-CD2 4.16Å; I349-L363 HydrophobicContact CD1-CD2 4.01Å; I349-L363 HydrophobicContact CG2-CD2 4.33Å; I349-L363 HydrophobicContact CG2-CG 4.22Å; I359-L363 HydrophobicContact CG2-CD1 3.82Å; I359-L363 HydrophobicContact CG2-CG 4.43Å; I359-L363 WeakPolarHBondContact O-CG 3.28Å; I359-L363 PolarHBondContact O-N 3.2Å; A360-L363 PolarHBondContact O-N 3.41Å; L363-R365 PolarHBondContact O-N 3.26Å; L363-Q366 PolarHBondContact O-N 3.06Å; L363-L367 WeakPolarHBondContact O-CD1 3.46Å; L363-L367 VanDerWaalsContact O-CG 3.28Å; L363-L367 WeakPolarHBondContact O-CG 3.4Å; L363-L367 PolarHBondContact O-N 3.06Å
364I69.1Low59.3Low30 Ų3070.1 Ų70.115%0.15439%0.394CS..Hα-helixtrans-58-49.1175-69.4163.9000110.2V313 N314 A360 Q366 L367 E368V313-I364 HydrophobicContact CG1-CD1 4.3Å; V313-I364 HydrophobicContact CG1-CG1 3.62Å; N314-I364 WeakPolarHBondContact OD1-CD1 3.36Å; A360-I364 VanDerWaalsContact O-CG1 3.27Å; A360-I364 WeakPolarHBondContact O-CG1 3.2Å; A360-I364 PolarHBondContact O-N 3.38Å; I364-Q366 VanDerWaalsContact C-N 3.3Å; I364-Q366 PolarHBondContact O-N 3.42Å; I364-L367 PolarHBondContact O-N 2.91Å; I364-E368 HydrophobicContact CG2-CG 4.3Å; I364-E368 WeakPolarHBondContact O-CG 3.38Å; I364-E368 PolarHBondContact O-N 3.07Å
365R68.1Low58.1Low170 Ų17065.2 Ų65.264%0.64238%0.379SS*.Hα-helixtrans-62.4-35.5-178-167.6177.1-177.9-179.4-0.6112.7K361 L362 L363 N369K361-R365 PolarHBondContact O-N 3.48Å; K361-R365 VanDerWaalsContact O-N 3.16Å; L362-R365 PolarHBondContact O-N 3.47Å; L363-R365 PolarHBondContact O-N 3.26Å; R365-N369 VanDerWaalsContact O-CB 3.31Å; R365-N369 WeakPolarHBondContact O-CB 3.42Å; R365-N369 PolarHBondContact O-N 3.43Å; R365-N369 PolarHBondContact O-ND2 3.46Å; R365-N369 PolarHBondContact O-OD1 3.2Å
366Q68.1Low56.6Low37 Ų3773.4 Ų73.417%0.17340%0.401CS..Hα-helixtrans-71.6-40.8175.3-77.8-161.6-21.700112.5L342 L362 L363 I364 E368 N369 D370L342-Q366 PolarHBondContact O-OE1 3.34Å; L362-Q366 PolarHBondContact O-N 3.16Å; L362-Q366 VanDerWaalsContact O-N 3.14Å; L363-Q366 PolarHBondContact O-N 3.06Å; I364-Q366 VanDerWaalsContact C-N 3.3Å; I364-Q366 PolarHBondContact O-N 3.42Å; Q366-E368 VanDerWaalsContact C-N 3.32Å; Q366-E368 PolarHBondContact O-N 3.49Å; Q366-N369 PolarHBondContact O-N 3.11Å; Q366-D370 PolarHBondContact O-N 2.91Å
367L66.9Low55Low9 Ų976.4 Ų76.45%0.04743%0.425CS..Hα-helixtrans-65.6-35.9177.4-69.3161.6000112.5L309 M310 V313 I341 L342 L363 I364 S371L309-L367 HydrophobicContact CD2-CD1 3.45Å; L309-L367 VanDerWaalsContact CD2-CD1 3.45Å; L309-L367 HydrophobicContact CD2-CD2 3.28Å; L309-L367 HydrophobicContact CD2-CG 3.87Å; L309-L367 HydrophobicContact CG-CD1 4.42Å; M310-L367 HydrophobicContact CE-CB 3.55Å; M310-L367 HydrophobicContact CE-CD1 4.19Å; M310-L367 HydrophobicContact CE-CG 4.48Å; V313-L367 HydrophobicContact CG2-CD1 4.27Å; I341-L367 HydrophobicContact CG2-CD2 3.93Å; L342-L367 HydrophobicContact CD2-CD1 4.47Å; L342-L367 HydrophobicContact CD2-CD2 3.68Å; L342-L367 HydrophobicContact CD2-CG 3.8Å; L363-L367 WeakPolarHBondContact O-CD1 3.46Å; L363-L367 VanDerWaalsContact O-CG 3.28Å; L363-L367 WeakPolarHBondContact O-CG 3.4Å; L363-L367 PolarHBondContact O-N 3.06Å; I364-L367 PolarHBondContact O-N 2.91Å; L367-S371 PolarHBondContact O-N 2.98Å
368E65.3Low53.7Low104 Ų10481.4 Ų81.449%0.48645%0.445SS..Hα-helixtrans-69.6-40.7173.7-71.4176.2168.300111.8I364 Q366 S371 T372I364-E368 HydrophobicContact CG2-CG 4.3Å; I364-E368 WeakPolarHBondContact O-CG 3.38Å; I364-E368 PolarHBondContact O-N 3.07Å; Q366-E368 VanDerWaalsContact C-N 3.32Å; Q366-E368 PolarHBondContact O-N 3.49Å; E368-S371 PolarHBondContact O-N 2.94Å; E368-S371 PolarHBondContact O-OG 3.41Å; E368-T372 PolarHBondContact O-N 3.38Å; E368-T372 PolarHBondContact O-OG1 3.36Å
369N57Low51.9Low88 Ų8886.7 Ų86.747%0.47147%0.468SS..Hα-helixtrans-68.7-36.3178.6-72.7-12.6000113.2R365 Q366 T372 S373R365-N369 VanDerWaalsContact O-CB 3.31Å; R365-N369 WeakPolarHBondContact O-CB 3.42Å; R365-N369 PolarHBondContact O-N 3.43Å; R365-N369 PolarHBondContact O-ND2 3.46Å; R365-N369 PolarHBondContact O-OD1 3.2Å; Q366-N369 PolarHBondContact O-N 3.11Å; N369-T372 PolarHBondContact O-N 2.91Å; N369-T372 PolarHBondContact O-OG1 3.16Å; N369-S373 WeakPolarHBondContact O-CB 3.44Å; N369-S373 PolarHBondContact O-N 3.3Å; N369-S373 VanDerWaalsContact O-N 3.11Å
370D51.5Low50Low55 Ų5592.9 Ų92.929%0.29450%0.501SS..Hα-helixtrans-76.2-26.3177-82.6-14.2000112.8Q366 T372 S373 G374Q366-D370 PolarHBondContact O-N 2.91Å; D370-T372 PolarHBondContact O-N 3.48Å; D370-S373 PolarHBondContact O-N 3.15Å; D370-G374 PolarHBondContact O-N 3.38Å
371S46.2Very low48.2Very low88 Ų8899 Ų9962%0.61554%0.539SS*.Hα-helixtrans-66-24.4171.774.80000113.2L367 E368L367-S371 PolarHBondContact O-N 2.98Å; E368-S371 PolarHBondContact O-N 2.94Å; E368-S371 PolarHBondContact O-OG 3.41Å
372T39Very low46.3Very low100 Ų100100.8 Ų100.861%0.61355%0.549SS*.Hα-helixtrans-95.5-20.1176.951.10000113.2E368 N369 D370E368-T372 PolarHBondContact O-N 3.38Å; E368-T372 PolarHBondContact O-OG1 3.36Å; N369-T372 PolarHBondContact O-N 2.91Å; N369-T372 PolarHBondContact O-OG1 3.16Å; D370-T372 PolarHBondContact O-N 3.48Å
373S39.2Very low44.3Very low75 Ų75102.1 Ų102.152%0.52456%0.561SS.*Hα-helixtrans-73.2-31.4176.8176.90000113.8N369 D370 A375 R376N369-S373 WeakPolarHBondContact O-CB 3.44Å; N369-S373 PolarHBondContact O-N 3.3Å; N369-S373 VanDerWaalsContact O-N 3.11Å; D370-S373 PolarHBondContact O-N 3.15Å; S373-A375 PolarHBondContact O-N 3.47Å; S373-R376 PolarHBondContact O-N 2.96Å
374G35.3Very low42.3Very low78 Ų78110.9 Ų110.980%0.80460%0.602SS**THydrogen-bonded Turntrans-64.6-0.5-179.700000116.3D370D370-G374 PolarHBondContact O-N 3.38Å
375A30.4Very low40.2Very low84 Ų84114.3 Ų114.369%0.69463%0.628SS**THydrogen-bonded Turntrans-111.95.1-176.900000115.1S373S373-A375 PolarHBondContact O-N 3.47Å
376R30.1Very low39.3Very low231 Ų231111.4 Ų111.487%0.87263%0.631SS**  trans-13297.1177.6-75-174.9176.9171.1-0.7112.7S373S373-R376 PolarHBondContact O-N 2.96Å
377T29.6Very low37.5Very low131 Ų131116 Ų11680%0.80466%0.662SS**  trans-54.6132.8162.715.40000112.3
378E35.3Very low36.5Very low164 Ų164120.3 Ų120.377%0.76669%0.69SS**  trans26.9123.4144.5-64.5176.4160.700119
379N25.2Very low34.7Very low147 Ų147122.3 Ų122.379%0.78670%0.703SS**  178.2120.6118.3-81.3-23.2000112.3
380D26.5Very low33.2Very low140 Ų140124.7 Ų124.775%0.74972%0.716SS**  trans56.3126.9134.7-66.9-19.9000125.9
381T25.9Very low32.1Very low129 Ų129128.6 Ų128.679%0.79174%0.737SS**  trans87.2128.5132.150.70000123.5
382E29.3Very low31.3Very low178 Ų178132.7 Ų132.783%0.83275%0.751SS**  trans-28.3146.7167.3-56.5175.6153.800118.1
383T25.4Very low31Very low107 Ų107136.7 Ų136.766%0.65676%0.76SS**  158.6134.6104.3-53.60000112.5
384E24.4Very low30.5Very low184 Ų184138.6 Ų138.686%0.8677%0.773SS**  trans65.4146157-81.9168.1-165.200120.1
385S24.8Very low30.5Very low102 Ų102141.4 Ų141.471%0.71377%0.774SS**  cis-170.9161.1-8.9129.50000106.8
386P50.9Low30.5Very low109 Ų109143.4 Ų143.471%0.70878%0.778SS**  trans-102.8-171.2-162.736.6-25.2000114.6
387V28.4Very low30.7Very low133 Ų133136.8 Ų136.881%0.80676%0.76SS**  trans128.9145.9154176.80000112.5
388P46.4Very low30.9Very low100 Ų100140.6 Ų140.665%0.64976%0.759SS**  cis-144.8-176.4-4442.7-23.2000113.1
389L27.9Very low30.9Very low146 Ų146138.7 Ų138.776%0.76475%0.754SS**  trans155.695.6142.9-88.3151.6000107.9
390D25.1Very low31.3Very low138 Ų138137.5 Ų137.574%0.73874%0.744SS**  88.194.896.4-93.37.3000110.7
391D29.9Very low31.9Very low136 Ų136137.6 Ų137.673%0.72774%0.74SS**  92.1105.281.6-1277.6000111.5
392L28.1Very low32.5Very low175 Ų175135 Ų13592%0.91672%0.721SS**  -173.8107.4127.9-100154.9000110
393K32.7Very low33Very low183 Ų183132.9 Ų132.980%0.79671%0.711SS**  trans-54142166.4-70.1170.4175170.20111
394S28.4Very low33.6Very low116 Ų116134.7 Ų134.781%0.81171%0.71SS**  -147.2128.4124.462.80000110.9
395V36.5Very low34.5Very low136 Ų136130.3 Ų130.382%0.82469%0.692SS**  trans-81.5121.7176.7167.20000107.7
396V30.5Very low35.3Very low126 Ų126131.6 Ų131.676%0.76469%0.687SS**  trans-142.3137.6154.5177.80000108.4R398V396-R398 PolarHBondContact O-N 2.92Å
397N33.7Very low34.9Very low92 Ų92131 Ų13149%0.49268%0.681SS.*  trans-28.1109.7-175-94.3-14.9000117.3E400N397-E400 PolarHBondContact ND2-OE2 3.46Å
398R33.9Very low35.5Very low211 Ų211131.2 Ų131.280%0.79667%0.671SS**Hα-helixtrans-70.4-28.1170.6-109.6-177.9-173-155.71.2114.1V396 D402V396-R398 PolarHBondContact O-N 2.92Å; R398-D402 PolarHBondContact O-N 3.3Å
399N35.5Very low35.4Very low124 Ų124130.9 Ų130.966%0.66366%0.663SS**Hα-helixtrans-83.2-33.5-169.2-69-4000113.4E403N399-E403 PolarHBondContact O-N 3.4Å
400E34.3Very low36Very low123 Ų123129.3 Ų129.358%0.57565%0.652SS**Hα-helixtrans-75.3-29-179.7-71.9177.8147.300112.5N397 K404N397-E400 PolarHBondContact ND2-OE2 3.46Å; E400-K404 VanDerWaalsContact O-CB 3.25Å; E400-K404 WeakPolarHBondContact O-CB 3.49Å; E400-K404 PolarHBondContact O-N 3.05Å
401E37.7Very low36.6Very low141 Ų141125.1 Ų125.166%0.65964%0.636SS**Hα-helixtrans-79.7-35.5178.1-63.9-165.9158.400112.3K404 L405E401-K404 PolarHBondContact O-N 3.01Å; E401-L405 WeakPolarHBondContact O-CB 3.33Å; E401-L405 PolarHBondContact O-N 2.93Å
402D39.3Very low37.2Very low75 Ų75125 Ų12540%0.40163%0.629SS.*Hα-helixtrans-65.9-41.3173.7-88.7-22.8000111.5R398 L405 Q406R398-D402 PolarHBondContact O-N 3.3Å; D402-L405 PolarHBondContact O-N 3.48Å; D402-Q406 WeakPolarHBondContact O-CB 3.44Å; D402-Q406 PolarHBondContact O-N 3.45Å
403E40.3Very low37.8Very low133 Ų133121.7 Ų121.762%0.62161%0.61SS**Hα-helixtrans-65.7-41.4174-77.5-176.5170.100111.9N399 L405 Q406 V407N399-E403 PolarHBondContact O-N 3.4Å; E403-L405 VanDerWaalsContact C-N 3.26Å; E403-L405 PolarHBondContact O-N 3.3Å; E403-Q406 PolarHBondContact O-N 2.82Å; E403-V407 WeakPolarHBondContact O-CB 3.47Å; E403-V407 WeakPolarHBondContact O-CG2 3.16Å; E403-V407 PolarHBondContact O-N 3.31Å
404K37.3Very low38.1Very low146 Ų146118.9 Ų118.964%0.63560%0.599SS**Hα-helixtrans-69.2-25179.8-158.4174-169.3175.30112.7E400 E401 K408E400-K404 VanDerWaalsContact O-CB 3.25Å; E400-K404 WeakPolarHBondContact O-CB 3.49Å; E400-K404 PolarHBondContact O-N 3.05Å; E401-K404 PolarHBondContact O-N 3.01Å; K404-K408 WeakPolarHBondContact O-CG 3.44Å; K404-K408 PolarHBondContact O-N 3.13Å
405L42.1Very low38.6Very low92 Ų92120.3 Ų120.348%0.48259%0.591SS.*Hα-helixtrans-84.2-40.5175.9-157.578.4000111.8E401 D402 E403 V407 K408 I409E401-L405 WeakPolarHBondContact O-CB 3.33Å; E401-L405 PolarHBondContact O-N 2.93Å; D402-L405 PolarHBondContact O-N 3.48Å; E403-L405 VanDerWaalsContact C-N 3.26Å; E403-L405 PolarHBondContact O-N 3.3Å; L405-V407 VanDerWaalsContact C-N 3.33Å; L405-V407 PolarHBondContact O-N 3.18Å; L405-K408 PolarHBondContact O-N 3Å; L405-I409 HydrophobicContact CG-CD1 4.28Å; L405-I409 VanDerWaalsContact O-CG1 3.3Å; L405-I409 WeakPolarHBondContact O-CG1 3.49Å; L405-I409 PolarHBondContact O-N 2.96Å
406Q42.5Very low38.7Very low128 Ų128118.3 Ų118.360%0.59858%0.575SS**Hα-helixtrans-62.1-40.5171.6-106.3163.1-11.200111.7D402 E403 K408 I409 Q410D402-Q406 WeakPolarHBondContact O-CB 3.44Å; D402-Q406 PolarHBondContact O-N 3.45Å; E403-Q406 PolarHBondContact O-N 2.82Å; Q406-K408 VanDerWaalsContact C-N 3.33Å; Q406-K408 PolarHBondContact O-N 3.24Å; Q406-I409 PolarHBondContact O-N 3.01Å; Q406-Q410 WeakPolarHBondContact O-CB 3.46Å; Q406-Q410 PolarHBondContact O-N 2.73Å
407V41.9Very low38.9Very low96 Ų96117.2 Ų117.258%0.58256%0.564SS**Hα-helixtrans-65-34.8174.3171.80000111.9E403 L405 A411E403-V407 WeakPolarHBondContact O-CB 3.47Å; E403-V407 WeakPolarHBondContact O-CG2 3.16Å; E403-V407 PolarHBondContact O-N 3.31Å; L405-V407 VanDerWaalsContact C-N 3.33Å; L405-V407 PolarHBondContact O-N 3.18Å; V407-A411 WeakPolarHBondContact O-CB 3.4Å; V407-A411 PolarHBondContact O-N 3.15Å
408K41.2Very low39Very low139 Ų139118.2 Ų118.260%0.60457%0.573SS**Hα-helixtrans-73.2-36.8175.6-82.1178178.9-179.90113.3K404 L405 Q406 F412K404-K408 WeakPolarHBondContact O-CG 3.44Å; K404-K408 PolarHBondContact O-N 3.13Å; L405-K408 PolarHBondContact O-N 3Å; Q406-K408 VanDerWaalsContact C-N 3.33Å; Q406-K408 PolarHBondContact O-N 3.24Å; K408-F412 WeakPolarHBondContact O-CB 3.4Å; K408-F412 PolarHBondContact O-N 2.87Å
409I45.4Very low38.9Very low93 Ų93116.5 Ų116.548%0.47758%0.575SS.*Hα-helixtrans-70.3-43.4176.3-67.8165.7000109.5L405 Q406 F412 E413L405-I409 HydrophobicContact CG-CD1 4.28Å; L405-I409 VanDerWaalsContact O-CG1 3.3Å; L405-I409 WeakPolarHBondContact O-CG1 3.49Å; L405-I409 PolarHBondContact O-N 2.96Å; Q406-I409 PolarHBondContact O-N 3.01Å; I409-F412 PolarHBondContact O-N 3.21Å; I409-E413 PolarHBondContact O-N 3.36Å
410Q40.4Very low38.6Very low112 Ų112114.3 Ų114.352%0.52357%0.569SS.*Hα-helixtrans-73.5-37.8-178.8-160.6147.41600112.8Q406 F412 E413 E414Q406-Q410 WeakPolarHBondContact O-CB 3.46Å; Q406-Q410 PolarHBondContact O-N 2.73Å; Q410-F412 PolarHBondContact O-N 2.9Å; Q410-E413 PolarHBondContact O-N 3.21Å; Q410-E414 WeakPolarHBondContact O-CB 3.28Å; Q410-E414 WeakPolarHBondContact O-CG 3.37Å; Q410-E414 PolarHBondContact O-N 2.9Å
411A38.1Very low38.1Very low50 Ų50112.2 Ų112.241%0.41357%0.568SS.*Hα-helixtrans-66-19.7171.400000113.1V407 K415V407-A411 WeakPolarHBondContact O-CB 3.4Å; V407-A411 PolarHBondContact O-N 3.15Å; A411-K415 PolarHBondContact O-N 3.15Å
412F42.4Very low37.8Very low133 Ų133111.8 Ų111.858%0.58358%0.575SS**Hα-helixtrans-90.6-36.5174.9-144.1-89.5000111.9K408 I409 Q410 E414 K415 I416K408-F412 WeakPolarHBondContact O-CB 3.4Å; K408-F412 PolarHBondContact O-N 2.87Å; I409-F412 PolarHBondContact O-N 3.21Å; Q410-F412 PolarHBondContact O-N 2.9Å; F412-E414 VanDerWaalsContact C-N 3.31Å; F412-K415 PolarHBondContact O-N 2.8Å; F412-I416 HydrophobicContact CD1-CD1 3.91Å; F412-I416 HydrophobicContact CD1-CG1 4.43Å; F412-I416 HydrophobicContact CE1-CD1 4.19Å; F412-I416 WeakPolarHBondContact O-CG1 3.19Å; F412-I416 PolarHBondContact O-N 3.42Å
413E40.4Very low37.2Very low107 Ų107114.1 Ų114.150%0.559%0.594SS.*Hα-helixtrans-61.8-37.6168-77.3179.6165.600111.8I409 Q410 I416 N417I409-E413 PolarHBondContact O-N 3.36Å; Q410-E413 PolarHBondContact O-N 3.21Å; E413-I416 PolarHBondContact O-N 2.78Å; E413-N417 WeakPolarHBondContact O-CB 3.49Å; E413-N417 PolarHBondContact O-N 3.39Å
414E38Very low36.4Very low124 Ų124111.1 Ų111.158%0.57960%0.599SS**Hα-helixtrans-67.7-37.8172.6-77.8179.6169.400112.3Q410 F412 I416 N417 V418Q410-E414 WeakPolarHBondContact O-CB 3.28Å; Q410-E414 WeakPolarHBondContact O-CG 3.37Å; Q410-E414 PolarHBondContact O-N 2.9Å; F412-E414 VanDerWaalsContact C-N 3.31Å; E414-I416 VanDerWaalsContact C-N 3.31Å; E414-I416 PolarHBondContact O-N 2.86Å; E414-N417 PolarHBondContact O-N 2.74Å; E414-V418 WeakPolarHBondContact O-CB 3.48Å; E414-V418 WeakPolarHBondContact O-CG2 3.33Å; E414-V418 PolarHBondContact O-N 3.38Å
415K38.5Very low36Very low146 Ų146109.4 Ų109.464%0.63561%0.605SS**Hα-helixtrans-63.4-36172.8-96.4179.2174.4178.10112.9A411 F412 E419A411-K415 PolarHBondContact O-N 3.15Å; F412-K415 PolarHBondContact O-N 2.8Å; K415-E419 PolarHBondContact O-N 3.23Å
416I40.4Very low35.2Very low94 Ų94110.9 Ų110.948%0.48262%0.618SS.*Hα-helixtrans-76.2-33.5176.9-67.1170.1000111.1F412 E413 E414 E419 S420F412-I416 HydrophobicContact CD1-CD1 3.91Å; F412-I416 HydrophobicContact CD1-CG1 4.43Å; F412-I416 HydrophobicContact CE1-CD1 4.19Å; F412-I416 WeakPolarHBondContact O-CG1 3.19Å; F412-I416 PolarHBondContact O-N 3.42Å; E413-I416 PolarHBondContact O-N 2.78Å; E414-I416 VanDerWaalsContact C-N 3.31Å; E414-I416 PolarHBondContact O-N 2.86Å; I416-E419 PolarHBondContact O-N 3.19Å; I416-S420 WeakPolarHBondContact O-CB 3.32Å; I416-S420 PolarHBondContact O-N 2.9Å; I416-S420 PolarHBondContact O-OG 3.25Å
417N34.1Very low34.4Very low103 Ų103115.5 Ų115.555%0.55163%0.63SS**Hα-helixtrans-75.4-25.6175-90-19.6000114.2E413 E414 E419 S420 S421E413-N417 WeakPolarHBondContact O-CB 3.49Å; E413-N417 PolarHBondContact O-N 3.39Å; E414-N417 PolarHBondContact O-N 2.74Å; N417-E419 VanDerWaalsContact C-N 3.3Å; N417-S420 WeakPolarHBondContact CA-OG 3.5Å; N417-S420 PolarHBondContact O-N 2.73Å; N417-S420 PolarHBondContact O-OG 2.67Å; N417-S420 PolarHBondContact OD1-OG 3.49Å; N417-S421 WeakPolarHBondContact O-CB 3.47Å; N417-S421 PolarHBondContact O-N 3.39Å; N417-S421 VanDerWaalsContact O-N 3.11Å; N417-S421 PolarHBondContact O-OG 3.49Å
418V35.5Very low33.7Very low112 Ų112122.7 Ų122.768%0.67965%0.647SS**Hα-helixtrans-72.8-25.1169.81720000111.5E414E414-V418 WeakPolarHBondContact O-CB 3.48Å; E414-V418 WeakPolarHBondContact O-CG2 3.33Å; E414-V418 PolarHBondContact O-N 3.38Å
419E31.6Very low33Very low176 Ų176126.4 Ų126.482%0.82266%0.658SS**Hα-helixtrans-87-15.4171.3-74.3-175.6166.700113.7K415 I416 N417K415-E419 PolarHBondContact O-N 3.23Å; I416-E419 PolarHBondContact O-N 3.19Å; N417-E419 VanDerWaalsContact C-N 3.3Å
420S29.4Very low32Very low77 Ų77128 Ų12854%0.53868%0.677SS.*Hα-helixtrans-101.5-10.6179.878.40000114.8I416 N417I416-S420 WeakPolarHBondContact O-CB 3.32Å; I416-S420 PolarHBondContact O-N 2.9Å; I416-S420 PolarHBondContact O-OG 3.25Å; N417-S420 WeakPolarHBondContact CA-OG 3.5Å; N417-S420 PolarHBondContact O-N 2.73Å; N417-S420 PolarHBondContact O-OG 2.67Å; N417-S420 PolarHBondContact OD1-OG 3.49Å
421S24.6Very low31.4Very low79 Ų79130.6 Ų130.655%0.55269%0.694SS**  trans-98.6112.9175.751.20000111.3N417 P423N417-S421 WeakPolarHBondContact O-CB 3.47Å; N417-S421 PolarHBondContact O-N 3.39Å; N417-S421 VanDerWaalsContact O-N 3.11Å; N417-S421 PolarHBondContact O-OG 3.49Å; S421-P423 WeakPolarHBondContact O-CD 3.47Å
422T30.1Very low30.8Very low133 Ų133131.1 Ų131.182%0.81670%0.704SS**  trans-77.9132.6177.2-35.60000110.8
423P27.2Very low30.1Very low123 Ų123134.4 Ų134.480%0.79972%0.722SS**  trans-120.2125.5138.217.11000109.7S421S421-P423 WeakPolarHBondContact O-CD 3.47Å
424G23Very low29.3Very low70 Ų70135.3 Ų135.372%0.72273%0.734SS**  trans-69.2154.2-16200000116.4
425S28.9Very low28.7Very low110 Ų110134.6 Ų134.677%0.76974%0.743SS**  162.2131.3126.8-172.90000110.3
426V25.1Very low28.5Very low124 Ų124136.9 Ų136.975%0.75275%0.753SS**  trans70.9105.6152.6177.20000118.5
427R27.2Very low28Very low224 Ų224141.1 Ų141.185%0.84577%0.77SS**  trans32.4115141.9-69.6178.2173.1166.5-2118
428R25.8Very low27.8Very low248 Ų248144.4 Ų144.494%0.93678%0.782SS**  -163.3129.6124-102.7164.9-152.4178.16.6110.6
429Y26.4Very low27.5Very low216 Ų216150.8 Ų150.885%0.84779%0.794SS**  trans-74.4131.4-178.8-78.3-97.6000111.3
430S24.2Very low27.6Very low126 Ų126151.3 Ų151.388%0.88179%0.794SS**  trans-96.6114.4159.7-67.40000109G432S430-G432 PolarHBondContact O-N 3.25Å
431L28.4Very low27.4Very low167 Ų167152.9 Ų152.987%0.87480%0.796SS**  trans-71.6114.4179.7-88141.8000110.6
432G24.9Very low27.4Very low61 Ų61156.7 Ų156.763%0.62981%0.807SS**  trans-69.8143.4161.200000111S430 V434S430-G432 PolarHBondContact O-N 3.25Å; G432-V434 PolarHBondContact O-N 2.84Å
433Q27.5Very low27.1Very low203 Ų203160.9 Ų160.995%0.94981%0.808SS**  trans-53126.9177.5-69176-36.100111.2
434V24.7Very low27Very low126 Ų126164.4 Ų164.476%0.76481%0.811SS**  trans-107126170.11750000107.1G432 K436G432-V434 PolarHBondContact O-N 2.84Å; V434-K436 PolarHBondContact O-N 3.15Å
435S26.1Very low27.1Very low108 Ų108169 Ų16976%0.75582%0.819SS**  trans-55.6129172.142.50000110.6E437S435-E437 PolarHBondContact O-N 2.8Å
436K33.4Very low27Very low195 Ų195172.2 Ų172.285%0.84882%0.815SS**  trans-88.894.9173.8-83.8179.7174.3173.70108.6V434V434-K436 PolarHBondContact O-N 3.15Å
437E30.3Very low27.1Very low182 Ų182171 Ų17185%0.8581%0.812SS**  trans-157.7148.8151.6-133.178.7-127.300105.9S435S435-E437 PolarHBondContact O-N 2.8Å
438E30.5Very low27.1Very low172 Ų172170.7 Ų170.780%0.80482%0.817SS**  trans78.657.1-172-55.1-166.614800118
439R28.6Very low27Very low246 Ų246164.3 Ų164.393%0.92881%0.81SS**  trans-135.977.4149.6-91.3-170.6179.4146.81.4111.1
440K33.5Very low27.3Very low188 Ų188161.8 Ų161.882%0.81781%0.81SS**  trans-142.475.6161.2-86.6-170.5177.11750110R778K440-R778 PolarHBondContact O-NH2 2.78Å
441D25.5Very low27.4Very low110 Ų110160.5 Ų160.559%0.58881%0.807SS**SBendtrans-173.4130.3146.3-99.3115.2000112R778D441-R778 VanDerWaalsContact CG-CZ 3.5Å; D441-R778 IonicContact OD1-CZ 3.14Å; D441-R778 IonicContact OD1-NH1 2.68Å; D441-R778 PolarHBondContact OD1-NH1 3.23Å; D441-R778 IonicContact OD1-NH2 2.79Å; D441-R778 PolarHBondContact OD1-NH2 3.03Å; D441-R778 IonicContact OD2-CZ 4Å; D441-R778 VanDerWaalsContact OD2-CZ 3.26Å; D441-R778 IonicContact OD2-NE 3.4Å; D441-R778 IonicContact OD2-NH1 3.69Å; D441-R778 IonicContact OD2-NH2 2.68Å; D441-R778 PolarHBondContact OD2-NH2 3.41Å
442M23.5Very low27.4Very low159 Ų159160.2 Ų160.278%0.78381%0.805SS**  trans68.797.5158.9-53.3-129.2-66.500119.7
443R24.9Very low27.4Very low220 Ų220166.6 Ų166.683%0.8382%0.819SS**  172.2120.8106.4-91.8176.6-176-178.31.5111
444F24.4Very low27.4Very low198 Ų198161.3 Ų161.387%0.86881%0.81SS**  trans-66.7136.2158.4-91.8-100000109.2
445N24.9Very low27.4Very low166 Ų166161.7 Ų161.789%0.88881%0.812SS**  trans-144.2111.9146.7-106.6-12.6000109.5
446R27Very low27.4Very low177 Ų177167.3 Ų167.367%0.66882%0.817SS**  trans-53148142.8-126.3178.8175-175.2-4.3106.6
447S26.6Very low27Very low99 Ų99166.8 Ų166.869%0.69282%0.819SS**  cis-166.9140.727.1-500000108.8
448K27.5Very low26.7Very low218 Ų218167 Ų16795%0.94882%0.817SS**  trans-164.583.2144.2-106.9-174.2-173-175.70107.7
449S24.9Very low26.4Very low113 Ų113164.7 Ų164.779%0.7982%0.815SS**  trans-164.6144.6152.9-167.50000107.4
450L31.4Very low26.2Very low164 Ų164159.6 Ų159.686%0.85981%0.811SS**  trans89.262.1-175.1-51.8170.6000115.6
451A27.7Very low25.7Very low99 Ų99157.9 Ų157.982%0.81881%0.81SS**  trans-146.674.8146.900000108.6
452L27.4Very low25.6Very low160 Ų160158 Ų15884%0.83882%0.82SS**  trans-15761.7163.9-99.1177.4000109
453H25.6Very low25.7Very low196 Ų196157 Ų15791%0.90782%0.818SS**  trans-150.279.2161.4-85.3-66.4000109.8
454A27.8Very low25.7Very low92 Ų92153.7 Ų153.776%0.7682%0.817SS**  trans-163140.6149.500000107.8
455V24.6Very low25.7Very low134 Ų134147.7 Ų147.781%0.81281%0.811SS**  trans93.580.8177-167.60000115.7
456R24.6Very low25.9Very low226 Ų226148.6 Ų148.685%0.85381%0.81SS**  169.5100.7104.9-108.8172.2-175.2-174.31.5111.4
457M25.6Very low25.8Very low183 Ų183148.3 Ų148.390%0.90182%0.821SS**  trans-86113.7142.6-86.6-81.7-176.700106.3
458K24.5Very low26.2Very low187 Ų187152.6 Ų152.681%0.81383%0.831SS**  trans-154.699.8156.6-111.9-177.4-176.8-174.20108.4
459V24.9Very low26.1Very low124 Ų124151.6 Ų151.675%0.75283%0.829SS**  trans-63.6122163.9172.30000108.5
460V22.9Very low26.2Very low138 Ų138154.3 Ų154.384%0.83684%0.835SS**  trans-145.9124.4153.2176.60000107.6
461N23.8Very low25.9Very low152 Ų152149.9 Ų149.981%0.81383%0.829SS**  trans-63.3149.8177.4-75-16000113.8
462S23.5Very low25.8Very low114 Ų114153.1 Ų153.180%0.79783%0.832SS**  trans176.8106.5133.5171.60000111.9
463D24.7Very low25.8Very low137 Ų137152.7 Ų152.773%0.73383%0.829SS**  trans33.8140.2134.3-137.89.8000124.2
464N24.9Very low26.1Very low150 Ų150149.7 Ų149.780%0.80283%0.825SS**  trans73.8129158.8-79.5-29.9000123.2
465G24.2Very low26.3Very low73 Ų73149.1 Ų149.175%0.75382%0.82SS**  trans125.6114139.500000115
466Q29.7Very low26.9Very low185 Ų185144.9 Ų144.986%0.86480%0.803SS**  trans-43.6138.9170.1-68.4161.4-47.400112.6
467D25.6Very low28.1Very low170 Ų170137.2 Ų137.291%0.90978%0.779SS**  -165.7149.7127.9-94.2-28.4000112.3
468Q33.8Very low29.1Very low189 Ų189129.9 Ų129.988%0.88375%0.746SS**  trans-83.5125.5-166.5179.7172.84200111
469E25Very low30.4Very low197 Ų197121.7 Ų121.792%0.92171%0.71SS**  trans-151.6140.5165.1-113176.9-163.900113.7G471E469-G471 PolarHBondContact O-N 3.34Å
470N27.6Very low31.3Very low171 Ų171118.1 Ų118.191%0.91469%0.689SS**  trans-51.5124.8-178.7-73.9-44.2000113.2
471G24.7Very low32Very low70 Ų70118.6 Ų118.672%0.72268%0.682SS**  trans-96.2105.8171.100000111.9E469E469-G471 PolarHBondContact O-N 3.34Å
472D26.5Very low33Very low167 Ų167113.9 Ų113.989%0.89366%0.656SS**  trans-87.199.1163.6-131.6-5.5000107.8
473I28Very low33.7Very low151 Ų151113.8 Ų113.877%0.77464%0.639SS**  trans-93.1106.6178.7-59.3173.3000108.2A475I473-A475 PolarHBondContact O-N 2.97Å; I473-A475 VanDerWaalsContact O-N 3.08Å
474T32.2Very low34.1Very low134 Ų134112.2 Ų112.282%0.82263%0.629SS**  trans-80.384.9173-27.20000110.1
475A30.7Very low34.4Very low79 Ų79108.9 Ų108.965%0.65362%0.618SS**PPolyproline II helixtrans-84.9127.9172.200000110.8I473I473-A475 PolarHBondContact O-N 2.97Å; I473-A475 VanDerWaalsContact O-N 3.08Å
476G37.1Very low35.1Very low45 Ų45112.7 Ų112.746%0.46462%0.616SS.*PPolyproline II helixtrans-70.1147.1168.200000111
477I51Low35.1Very low66 Ų66112.5 Ų112.534%0.33862%0.615SS.*PPolyproline II helixtrans-97.5126.9-175.4-56.2171.1000109.6V640I477-V640 HydrophobicContact CB-CG1 4.43Å; I477-V640 HydrophobicContact CD1-CG1 3.75Å; I477-V640 HydrophobicContact CD1-CG2 4.41Å; I477-V640 HydrophobicContact CG2-CG1 3.87Å; I477-V640 HydrophobicContact CG2-CG2 4.46Å
478S45.6Very low35.1Very low29 Ų29110.5 Ų110.520%0.20361%0.605CS.*BIsolated β-bridgetrans-94.3116.8179-165.90000111.6T480 Q573S478-T480 VanDerWaalsContact C-N 3.3Å; S478-Q573 PolarHBondContact OG-NE2 3.14Å
479F51.5Low34.8Very low15 Ų15108.8 Ų108.87%0.06660%0.601CS.*THydrogen-bonded Turntrans-78.6-15.2179.4-65.1-79.5000112.7E481 I482 Y483 D572 C574 M619 V640 L641 L644F479-E481 VanDerWaalsContact C-N 3.32Å; F479-E481 PolarHBondContact O-N 3.3Å; F479-I482 HydrophobicContact CD1-CD1 4.35Å; F479-I482 PolarHBondContact O-N 3.08Å; F479-Y483 WeakPolarHBondContact O-CD2 3.36Å; F479-D572 VanDerWaalsContact CB-O 3.28Å; F479-D572 WeakPolarHBondContact CB-O 3.49Å; F479-D572 WeakPolarHBondContact CD2-O 3.49Å; F479-D572 PolarHBondContact N-O 3.26Å; F479-C574 HydrophobicContact CE2-CB 4.3Å; F479-M619 HydrophobicContact CD2-CE 3.67Å; F479-M619 HydrophobicContact CE1-CE 4.09Å; F479-M619 HydrophobicContact CE2-CE 3.13Å; F479-M619 HydrophobicContact CG-CE 4.4Å; F479-M619 HydrophobicContact CZ-CE 3.37Å; F479-V640 HydrophobicContact CE1-CG1 3.71Å; F479-V640 HydrophobicContact CZ-CG1 3.81Å; F479-L641 HydrophobicContact CE1-CD2 4.09Å; F479-L641 HydrophobicContact CZ-CD2 3.98Å; F479-L644 HydrophobicContact CZ-CD1 4.21Å
480T43.7Very low35.1Very low49 Ų49108.9 Ų108.930%0.30160%0.599SS.*Hα-helixtrans-70-25.2177.4-35.90000113S478 I482 Y483S478-T480 VanDerWaalsContact C-N 3.3Å; T480-I482 VanDerWaalsContact C-N 3.26Å; T480-I482 PolarHBondContact O-N 2.93Å; T480-Y483 WeakPolarHBondContact O-CB 3.24Å; T480-Y483 PolarHBondContact O-N 3.46Å
481E39.1Very low34.9Very low148 Ų148109 Ų10969%0.69260%0.599SS**Hα-helixtrans-68.6-26.7177.7-75176.6175.600112.4F479 Y483 S485F479-E481 VanDerWaalsContact C-N 3.32Å; F479-E481 PolarHBondContact O-N 3.3Å; E481-Y483 VanDerWaalsContact C-N 3.28Å; E481-Y483 PolarHBondContact O-N 3.38Å; E481-S485 PolarHBondContact O-OG 3.29Å
482I43.2Very low35.6Very low52 Ų52110.4 Ų110.427%0.26760%0.595SS.*Hα-helixtrans-70.9-27176.1-58.9172.8000111F479 T480 S485 P637F479-I482 HydrophobicContact CD1-CD1 4.35Å; F479-I482 PolarHBondContact O-N 3.08Å; T480-I482 VanDerWaalsContact C-N 3.26Å; T480-I482 PolarHBondContact O-N 2.93Å; I482-S485 PolarHBondContact O-OG 2.9Å; I482-S485 VanDerWaalsContact O-OG 3.12Å; I482-P637 HydrophobicContact CD1-CG 4.49Å
483Y39.8Very low35.4Very low112 Ų112112.2 Ų112.244%0.43960%0.595SS.*Hα-helixtrans-75.1-32.6-179.3-86.3-86.8000114.1F479 T480 E481 F622 L626F479-Y483 WeakPolarHBondContact O-CD2 3.36Å; T480-Y483 WeakPolarHBondContact O-CB 3.24Å; T480-Y483 PolarHBondContact O-N 3.46Å; E481-Y483 VanDerWaalsContact C-N 3.28Å; E481-Y483 PolarHBondContact O-N 3.38Å; Y483-F622 WeakPolarHBondContact OH-CE1 3.22Å; Y483-F622 WeakPolarHBondContact OH-CZ 3.34Å; Y483-L626 HydrophobicContact CE1-CD1 3.92Å; Y483-L626 HydrophobicContact CE1-CD2 3.85Å; Y483-L626 HydrophobicContact CE2-CD1 4.01Å; Y483-L626 VanDerWaalsContact CZ-CD1 3.43Å; Y483-L626 WeakPolarHBondContact OH-CD1 3.46Å; Y483-L626 WeakPolarHBondContact OH-CD2 3.31Å
484I33Very low35.2Very low104 Ų104109.5 Ų109.553%0.53359%0.59SS.*Hα-helixtrans-88.6-23.2-171.2-61.5173.7000111.7Q486 E487I484-Q486 PolarHBondContact O-N 3.41Å; I484-E487 PolarHBondContact O-N 3.31Å
485S29.3Very low34.9Very low81 Ų81109 Ų10957%0.56659%0.586SS**THydrogen-bonded Turntrans-65.7-5.2-179.332.10000115.4E481 I482E481-S485 PolarHBondContact O-OG 3.29Å; I482-S485 PolarHBondContact O-OG 2.9Å; I482-S485 VanDerWaalsContact O-OG 3.12Å
486Q40.1Very low34.5Very low153 Ų153112 Ų11272%0.71559%0.591SS**THydrogen-bonded Turntrans-100.7-15.6-179.3-119.3177.62.900115I484I484-Q486 PolarHBondContact O-N 3.41Å
487E28.8Very low33.9Very low181 Ų181114.6 Ų114.685%0.84660%0.598SS**THydrogen-bonded Turntrans-87.4-10.9177.7-90-173.3160.100114I484I484-E487 PolarHBondContact O-N 3.31Å
488N27.1Very low32.6Very low128 Ų128119.5 Ų119.568%0.68462%0.619SS**  trans-101.58-173.5-77.8-42000116.1K490N488-K490 VanDerWaalsContact C-N 3.31Å; N488-K490 PolarHBondContact O-N 3.44Å
489D27.8Very low31.6Very low152 Ų152126 Ų12681%0.81365%0.647SS**  trans-92.652.2174.1-89.1-14.8000113.2
490K29.7Very low30.2Very low199 Ų199131.5 Ų131.587%0.86568%0.675SS**SBendtrans-133.8114.3154.9-78.7-172.4-179.9176.20109.9N488N488-K490 VanDerWaalsContact C-N 3.31Å; N488-K490 PolarHBondContact O-N 3.44Å
491L24.4Very low29.2Very low175 Ų175136.8 Ų136.892%0.91670%0.696SS**  trans-60.4162.2-179.3-93.7130.9000114.2
492P38.6Very low28.5Very low98 Ų98137.5 Ų137.564%0.63670%0.704SS**  trans-99.9154.4-149.438.1-35.1000113.9
493F23.4Very low27.5Very low206 Ų206138.4 Ų138.490%0.90473%0.726SS**  trans-147.1115.2156.5-92.4-77.4000113.1
494S23.3Very low26.6Very low94 Ų94140.9 Ų140.966%0.65775%0.747SS**  trans48.4116.9140.165.30000124.4
495V24.9Very low26.1Very low122 Ų122141 Ų14174%0.73976%0.757SS**  66.2121.3114.8-176.50000120.4
496D23.7Very low25.8Very low143 Ų143145.2 Ų145.277%0.76577%0.772SS**  trans89.1114.2144.9-76.1-4.1000123.6
497T23.3Very low25Very low99 Ų99143.8 Ų143.861%0.60777%0.774SS**  96.2128.4119.8-53.50000121.3
498E25.1Very low24.6Very low169 Ų169140.6 Ų140.679%0.7977%0.771SS**  trans67.1115.7155.1-74.7160.8-154.700119.7
499E23.5Very low24.4Very low166 Ų166142.1 Ų142.178%0.77677%0.774SS**  93136.375.9-135-169.9-157.500113.2
500I23.1Very low24.3Very low130 Ų130143.4 Ų143.467%0.66778%0.775SS**  trans95.1103.3153.7-54.6177.1000121.1
501H22.6Very low23.9Very low160 Ų160141 Ų14174%0.74177%0.772SS**  53.9133.1123.4-65.6-90.5000125.4
502L23.1Very low23.9Very low164 Ų164140.5 Ų140.586%0.85977%0.769SS**  trans60.1133.2136.6-88.191.5000121.8
503G22.2Very low23.1Very low71 Ų71142.4 Ų142.473%0.73277%0.773SS**  trans143.795.5133.900000118
504N22.6Very low23.1Very low163 Ų163143.4 Ų143.487%0.87277%0.773SS**  trans14.9122.2143.2-62.6-14.4000121.6
505S21.2Very low23Very low108 Ų108144.6 Ų144.676%0.75578%0.776SS**  37.9118.3122.3-151.70000120.4
506L23.8Very low22.9Very low168 Ų168148.3 Ų148.388%0.8878%0.782SS**  177.4148.5112.1-102.3137.9000113.5
507V22.8Very low22.9Very low123 Ų123146.3 Ų146.375%0.74578%0.78SS**  trans-60.6143.4-177.2171.20000115.4
508S21.4Very low22.9Very low114 Ų114149.3 Ų149.380%0.79779%0.787SS**  176.1144.5121.7-1750000114.1
509H22.8Very low22.8Very low161 Ų161148 Ų14875%0.74579%0.785SS**  trans-65.2154.2179.4-64.1-93.6000116.6
510Q24.4Very low22.9Very low179 Ų179147.4 Ų147.484%0.83679%0.786SS**  167.2114118.2-91.9179.1-500110.2
511N21.8Very low23.4Very low149 Ų149147.1 Ų147.180%0.79779%0.793SS**  69.7121.992-85.5-3.3000116.3
512I24.1Very low23.5Very low164 Ų164147.6 Ų147.684%0.84180%0.796SS**  trans-142.6124141.6-62.2-173.1000109.8
513D22.3Very low23.7Very low137 Ų137145.2 Ų145.273%0.73379%0.793SS**  trans-60.8166.5173.1-82.2-51.2000115
514Y22.2Very low23.7Very low227 Ų227146.9 Ų146.989%0.8980%0.8SS**  -162.4134.2122.8-107.9-74.5000114
515T21.9Very low23.9Very low119 Ų119148.7 Ų148.773%0.7380%0.8SS**  trans-85148.8179.7-25.60000113.1
516K23.4Very low24.1Very low200 Ų200150.7 Ų150.787%0.8780%0.797SS**  173.8126.1127-105.3176.4176176.50116.9
517S22.9Very low24.1Very low102 Ų102150.9 Ų150.971%0.71379%0.791SS**  22.8120.6128.4-143.80000123.6
518E24.1Very low24.4Very low161 Ų161149.4 Ų149.475%0.75279%0.791SS**  51.9131.8126.2-82.2-173.6-176.700126.3
519N23.2Very low24.6Very low143 Ų143152 Ų15277%0.76579%0.791SS**  trans100.5118.9141-64.1-30.3000121.4
520L26Very low24.9Very low152 Ų152152.9 Ų152.980%0.79680%0.795SS**  trans-64.4163162.7-102147.6000111.6
521P32.9Very low24.9Very low124 Ų124148 Ų14881%0.80579%0.794SS**  -150.7-176.463.937.2-13.3000118.9
522E24Very low25.3Very low170 Ų170146.1 Ų146.179%0.79479%0.792SS**  trans-54.9150.9-167.1-72.1174.413900123.1
523S27.2Very low25.4Very low115 Ų115145 Ų14580%0.80479%0.793SS**  trans67.4129.813181.60000123.1
524A23Very low26.2Very low106 Ų106146.5 Ų146.588%0.87680%0.796SS**  -168.1146.8129.400000111.7
525K27.1Very low26.4Very low200 Ų200142 Ų14287%0.8779%0.792SS**  trans-85154.7-173.1-61163169.8170.90112.9
526E24.4Very low26.8Very low151 Ų151143 Ų14371%0.70679%0.791SS**  151.6124114.7-94.1-167.9136.600115.8
527K24Very low27.2Very low172 Ų172142.5 Ų142.575%0.74879%0.789SS**  trans51.3113.2132.7-65.4175.3-177.2153.40123.2
528A30.1Very low27.5Very low91 Ų91144.2 Ų144.275%0.75279%0.79SS**  41.6123.3116.200000122.9
529H25.5Very low28.2Very low169 Ų169142.2 Ų142.278%0.78279%0.791SS**  -167.5116.2122.5-99.5-66.5000107.7
530E28.9Very low28.9Very low179 Ų179141.8 Ų141.884%0.83679%0.793SS**  81.8123.486.6-122.8176.8-171.700114.7
531G23.8Very low29.9Very low78 Ų78141.1 Ų141.180%0.80479%0.786SS**  trans168.677.1176.100000111.9
532S30Very low30.6Very low109 Ų109143 Ų14376%0.76278%0.778SS**  trans-65.6146.2176.365.60000112.6
533T27.6Very low32.4Very low141 Ų141143.7 Ų143.787%0.86578%0.782SS**  trans-142.4106.813618.70000108.3
534E37.2Very low35.1Very low168 Ų168139.8 Ų139.879%0.78575%0.752SS**  trans-67134.7167.3-65.4-177.8136.500109.2
535T27.6Very low38.1Very low132 Ų132141.1 Ų141.181%0.8174%0.738SS**  trans-156.6128.1137.6-90000111.9
536I30.1Very low41Very low139 Ų139131.6 Ų131.671%0.71370%0.696SS**  trans79.879.1161.8-42.5176.3000115.7N538I536-N538 PolarHBondContact O-N 3.04Å
537K32.4Very low44.1Very low191 Ų191127 Ų12783%0.8367%0.673SS**  trans-61.4112.7150.2-72.7175.6177.3171.30108.7
538N28.8Very low47.2Very low137 Ų137121.2 Ų121.273%0.73365%0.65SS**  trans-84.5120.5159.3-87.8-24.7000108.8I536 V540I536-N538 PolarHBondContact O-N 3.04Å; N538-V540 PolarHBondContact O-N 3.28Å
539P38.5Very low49.9Very low119 Ų119118.4 Ų118.477%0.77362%0.621SS**THydrogen-bonded Turntrans-90.677.1179.834.7-30.1000110.6
540V37.6Very low52.9Low135 Ų135110.5 Ų110.582%0.81858%0.584SS**THydrogen-bonded Turntrans-139.36.7167.9-165.80000112.6N538N538-V540 PolarHBondContact O-N 3.28Å
541E47Very low55.8Low137 Ų137107.2 Ų107.264%0.6457%0.568SS**  trans-83.3139.8166.2-74.7-174.4141.700109.2
542Y47.7Very low58.9Low164 Ų164110.9 Ų110.964%0.64356%0.564SS**SBendtrans93.156175.9-58.2-88.6000118.5L548Y542-L548 HydrophobicContact CD1-CD1 3.7Å; Y542-L548 HydrophobicContact CD1-CD2 3.77Å; Y542-L548 HydrophobicContact CD1-CG 4.35Å; Y542-L548 HydrophobicContact CE1-CD1 4.13Å; Y542-L548 HydrophobicContact CE1-CD2 3.42Å; Y542-L548 VanDerWaalsContact CE1-CD2 3.42Å; Y542-L548 HydrophobicContact CE1-CG 4.43Å
543Q61.5Low61.6Low185 Ų185107 Ų10786%0.86453%0.534SS*.  trans-133.7-14144.9-86.1-172.3-10.900115.2K545Q543-K545 PolarHBondContact O-N 3.21Å
544D83.9Confident64.6Low32 Ų32101.8 Ų101.817%0.17150%0.501CS..  trans-78104.4176.8-171.5-19.6000111L546 Y547 L548 S632 I633D544-L546 VanDerWaalsContact C-N 3.29Å; D544-L546 WeakPolarHBondContact OD1-CA 3.41Å; D544-L546 VanDerWaalsContact OD1-CB 3.25Å; D544-L546 WeakPolarHBondContact OD1-CB 3.42Å; D544-L546 PolarHBondContact OD1-N 3.2Å; D544-Y547 PolarHBondContact OD1-N 3.11Å; D544-L548 WeakPolarHBondContact O-CG 3.39Å; D544-L548 PolarHBondContact O-N 2.9Å; D544-S632 WeakPolarHBondContact OD2-CA 3.33Å; D544-S632 WeakPolarHBondContact OD2-CB 3.46Å; D544-I633 PolarHBondContact OD2-N 3.19Å
545K86.8Confident67.1Low134 Ų13496.4 Ų96.458%0.58349%0.491SS*.Hα-helixtrans-72.7-27.8-179.3-55.6173.7179.3173.30111.2Q543 H549 E657 I661Q543-K545 PolarHBondContact O-N 3.21Å; K545-H549 VanDerWaalsContact O-CB 3.25Å; K545-H549 WeakPolarHBondContact O-CB 3.4Å; K545-H549 PolarHBondContact O-N 2.94Å; K545-E657 VanDerWaalsContact CB-OE1 3.32Å; K545-E657 WeakPolarHBondContact CB-OE1 3.31Å; K545-E657 PolarHBondContact N-OE1 2.96Å; K545-I661 HydrophobicContact CB-CD1 3.7Å
546L87.4Confident70.1Confident0 Ų096.3 Ų96.30%048%0.479CS..Hα-helixtrans-67.4-47.4176.8-17563.1000110.5D544 L548 H549 L550 F620 I633 V638 F656 E657 M660 I661D544-L546 VanDerWaalsContact C-N 3.29Å; D544-L546 WeakPolarHBondContact OD1-CA 3.41Å; D544-L546 VanDerWaalsContact OD1-CB 3.25Å; D544-L546 WeakPolarHBondContact OD1-CB 3.42Å; D544-L546 PolarHBondContact OD1-N 3.2Å; L546-L548 PolarHBondContact O-N 3.39Å; L546-H549 PolarHBondContact O-N 2.89Å; L546-L550 HydrophobicContact CD1-CD1 4.33Å; L546-L550 HydrophobicContact CD1-CG 4.37Å; L546-L550 HydrophobicContact CG-CD1 4.09Å; L546-L550 HydrophobicContact CG-CG 4.49Å; L546-L550 WeakPolarHBondContact O-CB 3.04Å; L546-L550 WeakPolarHBondContact O-CG 3.29Å; L546-L550 PolarHBondContact O-N 3.23Å; L546-F620 HydrophobicContact CD1-CZ 3.88Å; L546-F620 HydrophobicContact CD2-CE2 4.16Å; L546-F620 HydrophobicContact CD2-CZ 4.19Å; L546-F620 HydrophobicContact CG-CZ 4.33Å; L546-I633 HydrophobicContact CD2-CD1 4.24Å; L546-V638 HydrophobicContact CD2-CG1 4.12Å; L546-F656 HydrophobicContact CD2-CE1 4.27Å; L546-E657 HydrophobicContact CB-CG 4.25Å; L546-M660 HydrophobicContact CD1-CB 3.9Å; L546-I661 HydrophobicContact CD1-CG1 4.12Å
547Y89.3Confident73.1Confident55 Ų5589.7 Ų89.722%0.21645%0.445CS..Hα-helixtrans-58.2-47.4178.4177.6-98.6000111.9D544 L550 K551 P630D544-Y547 PolarHBondContact OD1-N 3.11Å; Y547-L550 PolarHBondContact O-N 3.43Å; Y547-K551 HydrophobicContact CE1-CD 4.31Å; Y547-K551 WeakPolarHBondContact O-CB 3.38Å; Y547-K551 PolarHBondContact O-N 2.86Å; Y547-P630 HydrophobicContact CD2-CB 3.77Å; Y547-P630 VanDerWaalsContact CD2-O 3.31Å; Y547-P630 WeakPolarHBondContact CD2-O 3.31Å; Y547-P630 HydrophobicContact CE2-CB 3.75Å; Y547-P630 HydrophobicContact CE2-CG 4.11Å; Y547-P630 VanDerWaalsContact CE2-O 3.25Å; Y547-P630 WeakPolarHBondContact CE2-O 3.42Å
548L88.6Confident75.9Confident51 Ų5184.1 Ų84.127%0.26742%0.421SS..Hα-helixtrans-62.5-45.6178.5-67.3171.5000111.8Y542 D544 L546 L550 K551 E552Y542-L548 HydrophobicContact CD1-CD1 3.7Å; Y542-L548 HydrophobicContact CD1-CD2 3.77Å; Y542-L548 HydrophobicContact CD1-CG 4.35Å; Y542-L548 HydrophobicContact CE1-CD1 4.13Å; Y542-L548 HydrophobicContact CE1-CD2 3.42Å; Y542-L548 VanDerWaalsContact CE1-CD2 3.42Å; Y542-L548 HydrophobicContact CE1-CG 4.43Å; D544-L548 WeakPolarHBondContact O-CG 3.39Å; D544-L548 PolarHBondContact O-N 2.9Å; L546-L548 PolarHBondContact O-N 3.39Å; L548-L550 PolarHBondContact O-N 3.29Å; L548-K551 WeakPolarHBondContact O-CB 3.38Å; L548-K551 PolarHBondContact O-N 3.36Å; L548-E552 WeakPolarHBondContact O-CG 3.42Å; L548-E552 PolarHBondContact O-N 2.87Å; L548-E552 VanDerWaalsContact O-N 3.13Å
549H88.4Confident78.9Confident32 Ų3280.3 Ų80.315%0.14841%0.408CS..Hα-helixtrans-61.1-41.8177.5179.174000112.7K545 L546 N553 I661 T664K545-H549 VanDerWaalsContact O-CB 3.25Å; K545-H549 WeakPolarHBondContact O-CB 3.4Å; K545-H549 PolarHBondContact O-N 2.94Å; L546-H549 PolarHBondContact O-N 2.89Å; H549-N553 WeakPolarHBondContact O-CB 3.43Å; H549-N553 PolarHBondContact O-N 3.38Å; H549-N553 PolarHBondContact O-ND2 3.41Å; H549-I661 HydrophobicContact CB-CG1 4.19Å; H549-I661 PolarHBondContact CE1-O 2.77Å; H549-T664 PolarHBondContact CE1-OG1 2.94Å; H549-T664 VanDerWaalsContact CE1-OG1 3.23Å; H549-T664 PolarHBondContact NE2-OG1 3.31Å
550L88.6Confident81.5Confident2 Ų277 Ų771%0.0138%0.381CS..Hα-helixtrans-69.5-38.6176.6-70.7177.7000111.8L546 Y547 L548 E552 N553 L554 F620 Q624 P630 L631L546-L550 HydrophobicContact CD1-CD1 4.33Å; L546-L550 HydrophobicContact CD1-CG 4.37Å; L546-L550 HydrophobicContact CG-CD1 4.09Å; L546-L550 HydrophobicContact CG-CG 4.49Å; L546-L550 WeakPolarHBondContact O-CB 3.04Å; L546-L550 WeakPolarHBondContact O-CG 3.29Å; L546-L550 PolarHBondContact O-N 3.23Å; Y547-L550 PolarHBondContact O-N 3.43Å; L548-L550 PolarHBondContact O-N 3.29Å; L550-E552 VanDerWaalsContact C-N 3.28Å; L550-E552 PolarHBondContact O-N 2.93Å; L550-N553 CarbonylContact O-C 3.21Å; L550-N553 PolarHBondContact O-N 2.9Å; L550-N553 VanDerWaalsContact O-N 3.11Å; L550-L554 WeakPolarHBondContact O-CA 3.37Å; L550-L554 WeakPolarHBondContact O-CB 3.46Å; L550-L554 PolarHBondContact O-N 3.48Å; L550-F620 HydrophobicContact CD1-CE2 4.28Å; L550-F620 HydrophobicContact CD1-CZ 3.62Å; L550-F620 HydrophobicContact CD2-CE1 4.21Å; L550-F620 HydrophobicContact CD2-CZ 4.05Å; L550-F620 HydrophobicContact CG-CZ 4.3Å; L550-Q624 HydrophobicContact CD1-CG 4.36Å; L550-Q624 HydrophobicContact CD2-CG 4.22Å; L550-P630 HydrophobicContact CB-CB 3.87Å; L550-L631 HydrophobicContact CD1-CB 4.25Å; L550-L631 WeakPolarHBondContact CD1-O 3.44Å
551K88.8Confident84.1Confident111 Ų11170.9 Ų70.948%0.48334%0.344SS..Hα-helixtrans-57.2-42.1175.3-170.4173.5-179.3173.10111.9Y547 L548 N553 P630Y547-K551 HydrophobicContact CE1-CD 4.31Å; Y547-K551 WeakPolarHBondContact O-CB 3.38Å; Y547-K551 PolarHBondContact O-N 2.86Å; L548-K551 WeakPolarHBondContact O-CB 3.38Å; L548-K551 PolarHBondContact O-N 3.36Å; K551-N553 VanDerWaalsContact C-N 3.34Å; K551-P630 HydrophobicContact CB-CB 4.36Å; K551-P630 HydrophobicContact CB-CG 3.74Å; K551-P630 HydrophobicContact CG-CG 4.11Å
552E88.7Confident86.1Confident155 Ų15570.2 Ų70.272%0.72434%0.342SS*.Hα-helixtrans-71.7-26.7177.9-69.5179-178.700113.5L548 L550L548-E552 WeakPolarHBondContact O-CG 3.42Å; L548-E552 PolarHBondContact O-N 2.87Å; L548-E552 VanDerWaalsContact O-N 3.13Å; L550-E552 VanDerWaalsContact C-N 3.28Å; L550-E552 PolarHBondContact O-N 2.93Å
553N88.2Confident88.1Confident26 Ų2667.2 Ų67.214%0.13933%0.334CS..Hα-helixtrans-113.84.6-172.6-67.1-69.4000114.6H549 L550 K551 G555 K556 V557H549-N553 WeakPolarHBondContact O-CB 3.43Å; H549-N553 PolarHBondContact O-N 3.38Å; H549-N553 PolarHBondContact O-ND2 3.41Å; L550-N553 CarbonylContact O-C 3.21Å; L550-N553 PolarHBondContact O-N 2.9Å; L550-N553 VanDerWaalsContact O-N 3.11Å; K551-N553 VanDerWaalsContact C-N 3.34Å; N553-G555 PolarHBondContact O-N 3.24Å; N553-K556 WeakPolarHBondContact O-CA 3.23Å; N553-K556 WeakPolarHBondContact O-CB 3.5Å; N553-K556 PolarHBondContact O-N 3.19Å; N553-K556 PolarHBondContact OD1-NZ 3.37Å; N553-V557 PolarHBondContact O-N 3.1Å
554L89.6Confident89.6Confident32 Ų3258.9 Ų58.917%0.16830%0.295CS..Hα-helixtrans-54.7-46.1-169.3-175.262.1000113.4L550 K556 V557 K558 Q624 A628 P630L550-L554 WeakPolarHBondContact O-CA 3.37Å; L550-L554 WeakPolarHBondContact O-CB 3.46Å; L550-L554 PolarHBondContact O-N 3.48Å; L554-K556 VanDerWaalsContact C-N 3.31Å; L554-K556 PolarHBondContact O-N 3.46Å; L554-V557 PolarHBondContact O-N 3.27Å; L554-K558 PolarHBondContact O-N 2.78Å; L554-Q624 HydrophobicContact CD1-CG 4.13Å; L554-A628 WeakPolarHBondContact CD2-O 3.39Å; L554-P630 HydrophobicContact CD2-CG 4.45Å
555G89.9Confident89.9Confident56 Ų5657.9 Ų57.958%0.57729%0.293SS*.Hα-helixtrans-62.2-38.1177.800000112.8N553 A559N553-G555 PolarHBondContact O-N 3.24Å; G555-A559 WeakPolarHBondContact O-CB 3.39Å; G555-A559 PolarHBondContact O-N 3.36Å; G555-A559 VanDerWaalsContact O-N 3.1Å
556K91.2Very high90.1Very high130 Ų13054.6 Ų54.657%0.56528%0.279SS*.Hα-helixtrans-69.1-39.6176.4-60.2176.7-172.2161.40111.1N553 L554 A559 Y560 F665N553-K556 WeakPolarHBondContact O-CA 3.23Å; N553-K556 WeakPolarHBondContact O-CB 3.5Å; N553-K556 PolarHBondContact O-N 3.19Å; N553-K556 PolarHBondContact OD1-NZ 3.37Å; L554-K556 VanDerWaalsContact C-N 3.31Å; L554-K556 PolarHBondContact O-N 3.46Å; K556-A559 PolarHBondContact O-N 3.45Å; K556-Y560 VanDerWaalsContact O-CB 3.23Å; K556-Y560 WeakPolarHBondContact O-CB 3.41Å; K556-Y560 PolarHBondContact O-N 3.39Å; K556-F665 HydrophobicContact CB-CZ 3.98Å
557V92Very high90.3Very high0 Ų060.1 Ų60.10%030%0.303CS..Hα-helixtrans-62.1-47.4176.4174.60000110.9N553 L554 A559 Y560 V561 L621 Q624 T664 F665N553-V557 PolarHBondContact O-N 3.1Å; L554-V557 PolarHBondContact O-N 3.27Å; V557-A559 PolarHBondContact O-N 3.13Å; V557-Y560 PolarHBondContact O-N 3.46Å; V557-V561 HydrophobicContact CG1-CG2 4.26Å; V557-V561 WeakPolarHBondContact O-CB 3.5Å; V557-V561 VanDerWaalsContact O-CG2 3.25Å; V557-V561 WeakPolarHBondContact O-CG2 3.41Å; V557-V561 PolarHBondContact O-N 3.3Å; V557-L621 HydrophobicContact CG1-CD2 4.04Å; V557-L621 HydrophobicContact CG2-CD2 4.48Å; V557-Q624 HydrophobicContact CG1-CB 4.26Å; V557-Q624 HydrophobicContact CG1-CG 3.96Å; V557-T664 HydrophobicContact CG2-CG2 4.21Å; V557-F665 HydrophobicContact CG2-CE1 3.99Å; V557-F665 HydrophobicContact CG2-CZ 4.22Å
558K91.7Very high90.5Very high73 Ų7357.7 Ų57.732%0.31729%0.293SS..Hα-helixtrans-61.1-45.6177.9-72.6-175.9175-178.20112.5L554 V561 M562 F627L554-K558 PolarHBondContact O-N 2.78Å; K558-V561 PolarHBondContact O-N 3.1Å; K558-M562 WeakPolarHBondContact O-CB 3.47Å; K558-M562 PolarHBondContact O-N 2.98Å; K558-M562 VanDerWaalsContact O-N 3.07Å; K558-F627 WeakPolarHBondContact CE-O 3.3Å; K558-F627 PolarHBondContact NZ-O 3.26Å
559A91.6Very high90.7Very high57 Ų5755.4 Ų55.447%0.47128%0.281SS..Hα-helixtrans-63.2-43.3177.100000112.2G555 K556 V557 M562 E563G555-A559 WeakPolarHBondContact O-CB 3.39Å; G555-A559 PolarHBondContact O-N 3.36Å; G555-A559 VanDerWaalsContact O-N 3.1Å; K556-A559 PolarHBondContact O-N 3.45Å; V557-A559 PolarHBondContact O-N 3.13Å; A559-M562 PolarHBondContact O-N 3.35Å; A559-E563 PolarHBondContact O-N 3.49Å
560Y92.9Very high90.9Very high51 Ų5155.4 Ų55.420%0.228%0.282CS..Hα-helixtrans-63.1-46.4178.4179.1-94.6000112.1K556 V557 M562 E563 M564 L621 F665 P666 L671K556-Y560 VanDerWaalsContact O-CB 3.23Å; K556-Y560 WeakPolarHBondContact O-CB 3.41Å; K556-Y560 PolarHBondContact O-N 3.39Å; V557-Y560 PolarHBondContact O-N 3.46Å; Y560-M562 VanDerWaalsContact C-N 3.31Å; Y560-M562 PolarHBondContact O-N 3.23Å; Y560-E563 PolarHBondContact O-N 3.12Å; Y560-M564 HydrophobicContact CE1-CB 4.34Å; Y560-M564 HydrophobicContact CE1-SD 3.78Å; Y560-M564 VanDerWaalsContact O-CB 3.32Å; Y560-M564 WeakPolarHBondContact O-CB 3.43Å; Y560-M564 PolarHBondContact O-N 3.24Å; Y560-L621 HydrophobicContact CD1-CD1 4.24Å; Y560-L621 HydrophobicContact CE1-CD1 3.93Å; Y560-F665 AromaticContact CD1-CD1 3.53Å; Y560-F665 HydrophobicContact CD1-CD1 3.53Å; Y560-F665 AromaticContact CD1-CE1 3.96Å; Y560-F665 HydrophobicContact CD1-CE1 3.96Å; Y560-F665 HydrophobicContact CD1-CG 4.42Å; Y560-F665 HydrophobicContact CD2-CB 4.49Å; Y560-F665 AromaticContact CD2-CD1 3.91Å; Y560-F665 HydrophobicContact CD2-CD1 3.91Å; Y560-F665 HydrophobicContact CD2-CE1 4.35Å; Y560-F665 HydrophobicContact CD2-CG 4.13Å; Y560-F665 HydrophobicContact CE1-CB 4.34Å; Y560-F665 AromaticContact CE1-CD1 3.83Å; Y560-F665 HydrophobicContact CE1-CD1 3.83Å; Y560-F665 HydrophobicContact CE1-CG 4.44Å; Y560-F665 HydrophobicContact CE2-CB 4.01Å; Y560-F665 HydrophobicContact CE2-CD1 4.18Å; Y560-F665 HydrophobicContact CE2-CG 4.15Å; Y560-F665 AromaticContact CG-CD1 3.54Å; Y560-F665 HydrophobicContact CG-CD1 3.54Å; Y560-F665 AromaticContact CG-CE1 3.75Å; Y560-F665 HydrophobicContact CG-CE1 3.75Å; Y560-F665 HydrophobicContact CG-CG 4.24Å; Y560-P666 WeakPolarHBondContact OH-CD 3.18Å; Y560-P666 PolarHBondContact OH-O 2.85Å; Y560-L671 VanDerWaalsContact OH-CD1 3.28Å; Y560-L671 WeakPolarHBondContact OH-CD1 3.48Å
561V91.5Very high91.1Very high6 Ų655.5 Ų55.54%0.03628%0.283CS..Hα-helixtrans-65.1-36.1-179.61720000111.6V557 K558 E563 M564 G565 L621 F622 S625V557-V561 HydrophobicContact CG1-CG2 4.26Å; V557-V561 WeakPolarHBondContact O-CB 3.5Å; V557-V561 VanDerWaalsContact O-CG2 3.25Å; V557-V561 WeakPolarHBondContact O-CG2 3.41Å; V557-V561 PolarHBondContact O-N 3.3Å; K558-V561 PolarHBondContact O-N 3.1Å; V561-E563 VanDerWaalsContact C-N 3.34Å; V561-E563 PolarHBondContact O-N 3.08Å; V561-M564 HydrophobicContact CG2-CE 4.45Å; V561-M564 PolarHBondContact O-N 3.33Å; V561-G565 WeakPolarHBondContact O-CA 3.31Å; V561-G565 PolarHBondContact O-N 3.15Å; V561-L621 HydrophobicContact CG2-CB 3.82Å; V561-L621 WeakPolarHBondContact CG2-O 3.47Å; V561-F622 HydrophobicContact CG1-CB 4.5Å; V561-F622 HydrophobicContact CG1-CD2 3.6Å; V561-F622 HydrophobicContact CG1-CE2 4.38Å; V561-F622 HydrophobicContact CG1-CG 4.49Å; V561-S625 WeakPolarHBondContact CG1-OG 3.45Å
562M89.6Confident91.1Very high122 Ų12251.8 Ų51.860%0.60127%0.268SS*.Hα-helixtrans-60.6-42.9175.6-173.6-179.1-67.500112.1K558 A559 Y560 K566K558-M562 WeakPolarHBondContact O-CB 3.47Å; K558-M562 PolarHBondContact O-N 2.98Å; K558-M562 VanDerWaalsContact O-N 3.07Å; A559-M562 PolarHBondContact O-N 3.35Å; Y560-M562 VanDerWaalsContact C-N 3.31Å; Y560-M562 PolarHBondContact O-N 3.23Å; M562-K566 WeakPolarHBondContact O-CG 3.4Å
563E90.5Very high91Very high102 Ų10247.3 Ų47.348%0.47725%0.247SC..Hα-helixtrans-77.3-36.7178.9-69.9-58.5113.700112.9A559 Y560 V561 K566A559-E563 PolarHBondContact O-N 3.49Å; Y560-E563 PolarHBondContact O-N 3.12Å; V561-E563 VanDerWaalsContact C-N 3.34Å; V561-E563 PolarHBondContact O-N 3.08Å; E563-K566 IonicContact OE1-NZ 3.17Å; E563-K566 PolarHBondContact OE1-NZ 3.18Å
564M92.9Very high91.3Very high9 Ų946.2 Ų46.24%0.04424%0.242CC..Hα-helixtrans-66.8-42.3174.9-177.4-170.868.800111.4Y560 V561 K566 K567 I568 I618 L671Y560-M564 HydrophobicContact CE1-CB 4.34Å; Y560-M564 HydrophobicContact CE1-SD 3.78Å; Y560-M564 VanDerWaalsContact O-CB 3.32Å; Y560-M564 WeakPolarHBondContact O-CB 3.43Å; Y560-M564 PolarHBondContact O-N 3.24Å; V561-M564 HydrophobicContact CG2-CE 4.45Å; V561-M564 PolarHBondContact O-N 3.33Å; M564-K566 PolarHBondContact O-N 2.8Å; M564-K567 PolarHBondContact O-N 2.85Å; M564-I568 HydrophobicContact CG-CB 4.43Å; M564-I568 HydrophobicContact CG-CD1 4.33Å; M564-I568 PolarHBondContact O-N 3.04Å; M564-I618 HydrophobicContact CE-CG2 3.9Å; M564-I618 HydrophobicContact SD-CG1 4.35Å; M564-I618 HydrophobicContact SD-CG2 4.31Å; M564-L671 HydrophobicContact SD-CD2 4.42Å
565G89.3Confident91.4Very high12 Ų1247.3 Ų47.312%0.12425%0.247CC..Hα-helixtrans-63.6-23.6-176.400000113.9V561 K567 W696V561-G565 WeakPolarHBondContact O-CA 3.31Å; V561-G565 PolarHBondContact O-N 3.15Å; G565-K567 VanDerWaalsContact C-N 3.3Å; G565-W696 PolarHBondContact O-NE1 3.48Å
566K91.4Very high91.4Very high65 Ų6545.6 Ų45.628%0.28323%0.225SC..THydrogen-bonded Turntrans-71.3-22.8171.2-67.3171.2-176.7168.10113.5M562 E563 M564 Y689 W696M562-K566 WeakPolarHBondContact O-CG 3.4Å; E563-K566 IonicContact OE1-NZ 3.17Å; E563-K566 PolarHBondContact OE1-NZ 3.18Å; M564-K566 PolarHBondContact O-N 2.8Å; K566-Y689 HydrophobicContact CB-CD1 4.5Å; K566-Y689 HydrophobicContact CB-CE1 4.44Å; K566-Y689 HydrophobicContact CG-CD1 4.23Å; K566-Y689 HydrophobicContact CG-CE1 3.71Å; K566-Y689 HydrophobicContact CG-CE2 4.47Å; K566-W696 WeakPolarHBondContact O-CZ2 3.49Å
567K90.9Very high91.3Very high116 Ų11643 Ų4350%0.50421%0.214SC..THydrogen-bonded Turntrans-107.9-36.1-174.7-62.7-179.4-1771750113M564 G565M564-K567 PolarHBondContact O-N 2.85Å; G565-K567 VanDerWaalsContact C-N 3.3Å
568I93.7Very high90.7Very high4 Ų449.3 Ų49.32%0.02125%0.248CC..SBendtrans-120.3119.9-175.4-63.8173.4000108.6M564 W615 L671 V674M564-I568 HydrophobicContact CG-CB 4.43Å; M564-I568 HydrophobicContact CG-CD1 4.33Å; M564-I568 PolarHBondContact O-N 3.04Å; I568-W615 HydrophobicContact CG2-CH2 4.19Å; I568-W615 HydrophobicContact CG2-CZ3 4.17Å; I568-L671 HydrophobicContact CD1-CB 3.96Å; I568-L671 HydrophobicContact CD1-CD2 3.66Å; I568-L671 HydrophobicContact CD1-CG 4.25Å; I568-V674 HydrophobicContact CD1-CG1 4.2Å; I568-V674 HydrophobicContact CG1-CG1 4.45Å; I568-V674 HydrophobicContact CG2-CG1 4.09Å
569P93.7Very high89.6Confident2 Ų249 Ų491%0.01325%0.252CS..PPolyproline II helixtrans-69.3151.3174.234.1-39.4000110.7F589 L678 F683 W696P569-F589 HydrophobicContact CB-CD1 3.95Å; P569-F589 HydrophobicContact CB-CE1 3.85Å; P569-F589 HydrophobicContact CG-CD1 4.18Å; P569-F589 HydrophobicContact CG-CE1 3.73Å; P569-F589 HydrophobicContact CG-CZ 4.38Å; P569-L678 HydrophobicContact CG-CD1 4Å; P569-L678 HydrophobicContact CG-CD2 4.24Å; P569-F683 HydrophobicContact CB-CE1 3.76Å; P569-F683 HydrophobicContact CB-CZ 3.61Å; P569-F683 HydrophobicContact CG-CD1 4.09Å; P569-F683 HydrophobicContact CG-CE1 3.45Å; P569-F683 VanDerWaalsContact CG-CE1 3.45Å; P569-F683 HydrophobicContact CG-CE2 4.26Å; P569-F683 HydrophobicContact CG-CZ 3.55Å; P569-W696 HydrophobicContact CB-CD2 4.02Å; P569-W696 HydrophobicContact CB-CG 3.98Å
570I91.7Very high87.9Confident33 Ų3353.5 Ų53.517%0.16927%0.274CS..PPolyproline II helixtrans-99.3132.3174.6-56.3-73.3000108.9F589 I618 F622I570-F589 WeakPolarHBondContact O-CD1 3.39Å; I570-I618 HydrophobicContact CD1-CG2 3.67Å; I570-F622 HydrophobicContact CB-CD1 4.06Å; I570-F622 HydrophobicContact CB-CE1 3.99Å; I570-F622 HydrophobicContact CB-CG 4.34Å; I570-F622 HydrophobicContact CB-CZ 4.36Å; I570-F622 HydrophobicContact CD1-CB 3.53Å; I570-F622 HydrophobicContact CD1-CD1 4.16Å; I570-F622 HydrophobicContact CD1-CD2 3.8Å; I570-F622 HydrophobicContact CD1-CG 3.59Å; I570-F622 HydrophobicContact CG1-CB 4.06Å; I570-F622 HydrophobicContact CG1-CD1 3.74Å; I570-F622 HydrophobicContact CG1-CD2 3.54Å; I570-F622 HydrophobicContact CG1-CE1 3.85Å; I570-F622 HydrophobicContact CG1-CE2 3.77Å; I570-F622 HydrophobicContact CG1-CG 3.52Å; I570-F622 HydrophobicContact CG1-CZ 3.91Å; I570-F622 HydrophobicContact CG2-CB 4.47Å; I570-F622 HydrophobicContact CG2-CD1 3.6Å; I570-F622 HydrophobicContact CG2-CE1 3.86Å; I570-F622 HydrophobicContact CG2-CG 4.12Å
571P93.6Very high86.2Confident3 Ų362 Ų622%0.01931%0.305CS..PPolyproline II helixtrans-75.5141.7176.329.6-33.7000112L587 F588 F589 W615 M619P571-L587 HydrophobicContact CB-CB 3.98Å; P571-L587 HydrophobicContact CB-CD2 4.31Å; P571-L587 HydrophobicContact CG-CB 4.46Å; P571-L587 HydrophobicContact CG-CD2 4.02Å; P571-F588 CarbonylContact C-O 3.58Å; P571-F588 WeakPolarHBondContact CA-O 3.45Å; P571-F589 HydrophobicContact CB-CD1 4.17Å; P571-F589 HydrophobicContact CB-CE1 3.78Å; P571-F589 HydrophobicContact CB-CE2 4.3Å; P571-F589 HydrophobicContact CB-CZ 3.86Å; P571-F589 HydrophobicContact CG-CE1 4.34Å; P571-F589 HydrophobicContact CG-CZ 4.39Å; P571-W615 HydrophobicContact CG-CE3 4.36Å; P571-M619 HydrophobicContact CG-CE 4.42Å; P571-M619 HydrophobicContact CG-CG 4.06Å; P571-M619 HydrophobicContact CG-SD 3.91Å
572D87.6Confident85.3Confident34 Ų3464.7 Ų64.718%0.18233%0.325CS..SBendtrans-76.8-24.3174.5-65.5-66.5000113F479 F588 S590F479-D572 VanDerWaalsContact CB-O 3.28Å; F479-D572 WeakPolarHBondContact CB-O 3.49Å; F479-D572 WeakPolarHBondContact CD2-O 3.49Å; F479-D572 PolarHBondContact N-O 3.26Å; D572-F588 PolarHBondContact N-O 3.26Å; D572-S590 VanDerWaalsContact CG-OG 3.26Å; D572-S590 WeakPolarHBondContact OD2-CA 3.46Å; D572-S590 WeakPolarHBondContact OD2-CB 3.19Å; D572-S590 PolarHBondContact OD2-N 2.91Å; D572-S590 PolarHBondContact OD2-OG 2.8Å
573Q88.5Confident85Confident60 Ų6060.1 Ų60.128%0.2830%0.304SS..EExtended strand (participates in β ladder)trans-144.7145177.5-50.2-168.2-14.500110.4S478 L587 F588S478-Q573 PolarHBondContact OG-NE2 3.14Å; Q573-L587 WeakPolarHBondContact O-CA 3.29Å; Q573-F588 HydrophobicContact CB-CB 4.04Å; Q573-F588 HydrophobicContact CB-CD2 3.8Å; Q573-F588 HydrophobicContact CB-CG 4.27Å; Q573-F588 PolarHBondContact N-O 3.47Å; Q573-F588 PolarHBondContact O-N 2.85Å
574C93.1Very high85Confident3 Ų356 Ų562%0.0229%0.286CS..EExtended strand (participates in β ladder)trans-134.9125.2176.6179.80000109.6F479 K586 L587 M619 L644F479-C574 HydrophobicContact CE2-CB 4.3Å; C574-K586 WeakPolarHBondContact CA-O 3.34Å; C574-L587 HydrophobicContact CB-CD2 3.81Å; C574-L587 WeakPolarHBondContact SG-CD2 3.49Å; C574-M619 HydrophobicContact CB-CE 3.73Å; C574-M619 HydrophobicContact CB-SD 3.89Å; C574-L644 HydrophobicContact CB-CD1 4.23Å
575I91.8Very high85Confident55 Ų5555.6 Ų55.628%0.28228%0.284SS..EExtended strand (participates in β ladder)trans-121.7127.7177.1-57.7178.6000108.3E577 K586 F588I575-E577 HydrophobicContact CG2-CG 4.44Å; I575-K586 HydrophobicContact CB-CB 4.46Å; I575-K586 PolarHBondContact N-O 3.34Å; I575-K586 PolarHBondContact O-N 3.16Å; I575-F588 HydrophobicContact CD1-CE2 3.68Å; I575-F588 HydrophobicContact CD1-CZ 4.15Å; I575-F588 HydrophobicContact CG1-CE2 3.98Å
576I90.8Very high85.2Confident21 Ų2157.8 Ų57.811%0.10829%0.29CS..EExtended strand (participates in β ladder)trans-90118.2173.9-54.1-52.8000108.6C583 V584 A585 P612 L644 K647 T648I576-C583 HydrophobicContact CG2-CB 3.93Å; I576-V584 WeakPolarHBondContact CA-O 3.46Å; I576-A585 HydrophobicContact CD1-CB 3.95Å; I576-P612 HydrophobicContact CD1-CB 3.89Å; I576-L644 HydrophobicContact CG1-CB 4.36Å; I576-L644 HydrophobicContact CG1-CD2 4.05Å; I576-K647 HydrophobicContact CB-CB 4.38Å; I576-K647 HydrophobicContact CG2-CB 4.24Å; I576-T648 HydrophobicContact CD1-CG2 4.01Å; I576-T648 HydrophobicContact CG1-CG2 4.14Å; I576-T648 HydrophobicContact CG2-CG2 4.16Å
577E88.3Confident85.4Confident74 Ų7454.7 Ų54.735%0.34628%0.277SS..EExtended strand (participates in β ladder)trans-103.1126.6175.9-65.3180170.300109.8I575 V584 K586I575-E577 HydrophobicContact CG2-CG 4.44Å; E577-V584 HydrophobicContact CB-CG2 3.92Å; E577-V584 PolarHBondContact N-O 3.04Å; E577-V584 PolarHBondContact O-N 2.94Å; E577-K586 WeakPolarHBondContact OE1-CD 3.28Å; E577-K586 IonicContact OE1-NZ 2.69Å; E577-K586 PolarHBondContact OE1-NZ 2.93Å
578D78.8Confident85.5Confident134 Ų13450.7 Ų50.772%0.71726%0.26SS*.EExtended strand (participates in β ladder)trans-81.5128.1177.4-74.2-29.4000111.1
579T68.5Low85.5Confident66 Ų6650.7 Ų50.741%0.40526%0.26SS..EExtended strand (participates in β ladder)trans-113155.6168.572.80000109.3R581 S582 V584T579-R581 PolarHBondContact O-N 3.49Å; T579-S582 CarbonylContact C-O 3.41Å; T579-S582 WeakPolarHBondContact CA-O 3.35Å; T579-S582 WeakPolarHBondContact CB-O 3.34Å; T579-S582 PolarHBondContact N-O 3.48Å; T579-S582 PolarHBondContact O-N 3.07Å; T579-S582 VanDerWaalsContact O-N 3.16Å; T579-S582 VanDerWaalsContact O-O 3.06Å; T579-S582 PolarHBondContact OG1-N 2.82Å; T579-S582 PolarHBondContact OG1-O 2.95Å; T579-S582 PolarHBondContact OG1-OG 3.08Å; T579-V584 HydrophobicContact CG2-CG2 4.48Å
580V57.2Low85.5Confident152 Ų15251.7 Ų51.792%0.92127%0.266SS*.THydrogen-bonded Turntrans-49.9-17.4-174.3-172.40000114.5
581R56.4Low85.5Confident228 Ų22850.1 Ų50.186%0.8626%0.258SS*.THydrogen-bonded Turntrans-139.12.5180-61.1-176.2-179.9178.9-0.6115.8T579T579-R581 PolarHBondContact O-N 3.49Å
582S73.3Confident85.2Confident64 Ų6453.4 Ų53.445%0.44828%0.28SS..EExtended strand (participates in β ladder)trans-166.8164-177.349.60000112.4T579T579-S582 CarbonylContact C-O 3.41Å; T579-S582 WeakPolarHBondContact CA-O 3.35Å; T579-S582 WeakPolarHBondContact CB-O 3.34Å; T579-S582 PolarHBondContact N-O 3.48Å; T579-S582 PolarHBondContact O-N 3.07Å; T579-S582 VanDerWaalsContact O-N 3.16Å; T579-S582 VanDerWaalsContact O-O 3.06Å; T579-S582 PolarHBondContact OG1-N 2.82Å; T579-S582 PolarHBondContact OG1-O 2.95Å; T579-S582 PolarHBondContact OG1-OG 3.08Å
583C82.9Confident85.2Confident25 Ų2556.4 Ų56.417%0.16930%0.295CS..EExtended strand (participates in β ladder)trans-103146.4168.357.60000110.7I576 T648I576-C583 HydrophobicContact CG2-CB 3.93Å; C583-T648 PolarHBondContact SG-O 3.24Å; C583-T648 VanDerWaalsContact SG-O 3.38Å
584V90.5Very high85.1Confident16 Ų1659.5 Ų59.510%0.09731%0.308CS..EExtended strand (participates in β ladder)trans-124.6147.7172.3-62.40000110I576 E577 T579 I608 S609 R610I576-V584 WeakPolarHBondContact CA-O 3.46Å; E577-V584 HydrophobicContact CB-CG2 3.92Å; E577-V584 PolarHBondContact N-O 3.04Å; E577-V584 PolarHBondContact O-N 2.94Å; T579-V584 HydrophobicContact CG2-CG2 4.48Å; V584-I608 HydrophobicContact CB-CG2 4.22Å; V584-I608 HydrophobicContact CG2-CG2 4.22Å; V584-S609 CarbonylContact C-O 3.57Å; V584-S609 WeakPolarHBondContact CA-O 3.46Å; V584-R610 HydrophobicContact CG1-CG 4.28Å
585A92.3Very high84.7Confident0 Ų060.5 Ų60.50%032%0.319CS..EExtended strand (participates in β ladder)trans-101.1119.4177.300000109I576 L587 S609 P612I576-A585 HydrophobicContact CD1-CB 3.95Å; A585-L587 HydrophobicContact CB-CD2 4.19Å; A585-L587 HydrophobicContact CB-CG 4.43Å; A585-S609 PolarHBondContact N-O 2.69Å; A585-S609 PolarHBondContact O-N 3.42Å; A585-P612 HydrophobicContact CB-CB 3.92Å; A585-P612 HydrophobicContact CB-CG 3.95Å
586K94.2Very high84.2Confident59 Ų5964.6 Ų64.626%0.25734%0.336SS..EExtended strand (participates in β ladder)trans-95.3115170.9-171.7175.1-177.6-179.10108.8C574 I575 E577 F588 T606 L607C574-K586 WeakPolarHBondContact CA-O 3.34Å; I575-K586 HydrophobicContact CB-CB 4.46Å; I575-K586 PolarHBondContact N-O 3.34Å; I575-K586 PolarHBondContact O-N 3.16Å; E577-K586 WeakPolarHBondContact OE1-CD 3.28Å; E577-K586 IonicContact OE1-NZ 2.69Å; E577-K586 PolarHBondContact OE1-NZ 2.93Å; K586-F588 HydrophobicContact CB-CE2 4.49Å; K586-F588 HydrophobicContact CD-CE2 4.28Å; K586-F588 HydrophobicContact CD-CZ 3.83Å; K586-F588 HydrophobicContact CG-CE2 3.9Å; K586-F588 HydrophobicContact CG-CZ 3.81Å; K586-T606 HydrophobicContact CD-CG2 4.31Å; K586-T606 HydrophobicContact CG-CG2 3.73Å; K586-L607 WeakPolarHBondContact CA-O 3.46Å
587L95.2Very high83.8Confident0 Ų067.7 Ų67.70%035%0.347CS..EExtended strand (participates in β ladder)trans-112.5136.9-170.3-55.1171.6000109.3P571 Q573 C574 A585 F589 T606 L607 W615P571-L587 HydrophobicContact CB-CB 3.98Å; P571-L587 HydrophobicContact CB-CD2 4.31Å; P571-L587 HydrophobicContact CG-CB 4.46Å; P571-L587 HydrophobicContact CG-CD2 4.02Å; Q573-L587 WeakPolarHBondContact O-CA 3.29Å; C574-L587 HydrophobicContact CB-CD2 3.81Å; C574-L587 WeakPolarHBondContact SG-CD2 3.49Å; A585-L587 HydrophobicContact CB-CD2 4.19Å; A585-L587 HydrophobicContact CB-CG 4.43Å; L587-F589 HydrophobicContact CB-CE2 3.83Å; L587-F589 HydrophobicContact CB-CZ 4.23Å; L587-T606 CarbonylContact O-C 3.5Å; L587-T606 WeakPolarHBondContact O-CA 2.91Å; L587-L607 HydrophobicContact CB-CB 4.26Å; L587-L607 HydrophobicContact CD1-CD2 4.09Å; L587-L607 PolarHBondContact N-O 2.68Å; L587-L607 PolarHBondContact O-N 3.24Å; L587-W615 HydrophobicContact CD1-CB 4.32Å; L587-W615 HydrophobicContact CD1-CD2 3.29Å; L587-W615 HydrophobicContact CD1-CE3 3.82Å; L587-W615 HydrophobicContact CD1-CG 3.54Å; L587-W615 HydrophobicContact CD1-CH2 4.29Å; L587-W615 HydrophobicContact CD1-CZ2 3.83Å; L587-W615 HydrophobicContact CD1-CZ3 4.29Å; L587-W615 HydrophobicContact CD2-CB 4.4Å; L587-W615 HydrophobicContact CD2-CG 4.46Å
588F93.9Very high83.8Confident32 Ų3264.4 Ų64.414%0.1433%0.332CS..EExtended strand (participates in β ladder)trans-118.2130.5-178.7-57.9-94.5000110P571 D572 Q573 I575 K586 F605 T606P571-F588 CarbonylContact C-O 3.58Å; P571-F588 WeakPolarHBondContact CA-O 3.45Å; D572-F588 PolarHBondContact N-O 3.26Å; Q573-F588 HydrophobicContact CB-CB 4.04Å; Q573-F588 HydrophobicContact CB-CD2 3.8Å; Q573-F588 HydrophobicContact CB-CG 4.27Å; Q573-F588 PolarHBondContact N-O 3.47Å; Q573-F588 PolarHBondContact O-N 2.85Å; I575-F588 HydrophobicContact CD1-CE2 3.68Å; I575-F588 HydrophobicContact CD1-CZ 4.15Å; I575-F588 HydrophobicContact CG1-CE2 3.98Å; K586-F588 HydrophobicContact CB-CE2 4.49Å; K586-F588 HydrophobicContact CD-CE2 4.28Å; K586-F588 HydrophobicContact CD-CZ 3.83Å; K586-F588 HydrophobicContact CG-CE2 3.9Å; K586-F588 HydrophobicContact CG-CZ 3.81Å; F588-F605 CarbonylContact C-O 3.49Å; F588-F605 WeakPolarHBondContact CA-O 3.11Å; F588-T606 HydrophobicContact CD1-CG2 4.34Å; F588-T606 HydrophobicContact CE1-CG2 4.03Å; F588-T606 HydrophobicContact CZ-CG2 4.5Å
589F94.3Very high84.2Confident4 Ų458 Ų582%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-121.5119.9179.2-56.7-96.2000109.2P569 I570 P571 L587 S604 F605 L607 W615 F683P569-F589 HydrophobicContact CB-CD1 3.95Å; P569-F589 HydrophobicContact CB-CE1 3.85Å; P569-F589 HydrophobicContact CG-CD1 4.18Å; P569-F589 HydrophobicContact CG-CE1 3.73Å; P569-F589 HydrophobicContact CG-CZ 4.38Å; I570-F589 WeakPolarHBondContact O-CD1 3.39Å; P571-F589 HydrophobicContact CB-CD1 4.17Å; P571-F589 HydrophobicContact CB-CE1 3.78Å; P571-F589 HydrophobicContact CB-CE2 4.3Å; P571-F589 HydrophobicContact CB-CZ 3.86Å; P571-F589 HydrophobicContact CG-CE1 4.34Å; P571-F589 HydrophobicContact CG-CZ 4.39Å; L587-F589 HydrophobicContact CB-CE2 3.83Å; L587-F589 HydrophobicContact CB-CZ 4.23Å; F589-S604 CarbonylContact O-C 3.48Å; F589-S604 WeakPolarHBondContact O-CA 3.23Å; F589-S604 WeakPolarHBondContact O-CB 3.33Å; F589-F605 HydrophobicContact CB-CB 4.35Å; F589-F605 HydrophobicContact CD2-CD1 4.03Å; F589-F605 PolarHBondContact N-O 3.3Å; F589-F605 PolarHBondContact O-N 2.79Å; F589-L607 HydrophobicContact CE2-CB 3.84Å; F589-L607 HydrophobicContact CE2-CD2 4.08Å; F589-L607 HydrophobicContact CZ-CD2 4.32Å; F589-W615 HydrophobicContact CZ-CH2 4.08Å; F589-W615 HydrophobicContact CZ-CZ3 4.23Å; F589-F683 HydrophobicContact CB-CE2 3.95Å; F589-F683 HydrophobicContact CD1-CE2 4.16Å; F589-F683 HydrophobicContact CD1-CZ 4.34Å; F589-F683 HydrophobicContact CD2-CE2 4.16Å; F589-F683 AromaticContact CG-CE2 3.84Å; F589-F683 HydrophobicContact CG-CE2 3.84Å; F589-F683 HydrophobicContact CG-CZ 4.42Å
590S91.8Very high85.2Confident22 Ų2255.8 Ų55.815%0.15428%0.283CS..  trans-107.2161.5177.776.50000110.5D572D572-S590 VanDerWaalsContact CG-OG 3.26Å; D572-S590 WeakPolarHBondContact OD2-CA 3.46Å; D572-S590 WeakPolarHBondContact OD2-CB 3.19Å; D572-S590 PolarHBondContact OD2-N 2.91Å; D572-S590 PolarHBondContact OD2-OG 2.8Å
591C92.1Very high86.5Confident0 Ų049.7 Ų49.70%025%0.247CC..  trans-92.3119.1174.6-177.70000109.5L593 K594 C598 F687 C698 C701C591-L593 PolarHBondContact O-N 2.99Å; C591-K594 WeakPolarHBondContact O-CG 3.37Å; C591-K594 PolarHBondContact O-N 3.46Å; C591-C598 WeakPolarHBondContact CB-SG 3.36Å; C591-F687 HydrophobicContact CB-CE1 4.26Å; C591-C698 HydrophobicContact CB-CB 4.01Å; C591-C698 PolarHBondContact SG-N 3.1Å; C591-C701 VanDerWaalsContact SG-SG 3.61Å
592P87.6Confident87.9Confident72 Ų7245.1 Ų45.147%0.46823%0.233SC..THydrogen-bonded Turntrans-66.7-36.3-17524.6-33.1000112.7K594 T695 W696P592-K594 VanDerWaalsContact C-N 3.3Å; P592-K594 PolarHBondContact O-N 2.93Å; P592-T695 HydrophobicContact CG-CG2 3.83Å; P592-W696 WeakPolarHBondContact CD-O 3.48Å; P592-W696 WeakPolarHBondContact CG-O 3.44Å
593L87.2Confident88.6Confident98 Ų9844 Ų4451%0.51323%0.225SC..THydrogen-bonded Turntrans-67-27.7-177.1-171.364.1000113.5C591 G595 C701C591-L593 PolarHBondContact O-N 2.99Å; L593-G595 PolarHBondContact O-N 3.43Å; L593-C701 HydrophobicContact CB-CB 4.23Å; L593-C701 HydrophobicContact CD2-CB 3.78Å
594K87.1Confident88.9Confident124 Ų12445 Ų4554%0.53923%0.233SC..  trans37.942.9-176.7-60-171.4179.4178.20114.9C591 P592C591-K594 WeakPolarHBondContact O-CG 3.37Å; C591-K594 PolarHBondContact O-N 3.46Å; P592-K594 VanDerWaalsContact C-N 3.3Å; P592-K594 PolarHBondContact O-N 2.93Å
595G83.8Confident89Confident25 Ų2545.5 Ų45.526%0.25823%0.234SC..  trans-61.7168.9-179.600000113.6L593 Y597 C598L593-G595 PolarHBondContact O-N 3.43Å; G595-Y597 VanDerWaalsContact C-N 3.27Å; G595-Y597 PolarHBondContact O-N 3.49Å; G595-Y597 VanDerWaalsContact O-N 3.14Å; G595-C598 WeakPolarHBondContact O-CB 3.43Å; G595-C598 PolarHBondContact O-N 3.48Å
596H81.4Confident89Confident140 Ų14048.5 Ų48.565%0.64825%0.252SS*.THydrogen-bonded Turntrans-51.5-43.1-175.1-173.7-93.7000114R826H596-R826 PolarHBondContact O-NH1 3.04Å; H596-R826 PolarHBondContact O-NH2 3.43Å; H596-R826 VanDerWaalsContact O-NH2 3.14Å
597Y82.6Confident89Confident87 Ų8745.8 Ų45.834%0.34124%0.24SC..THydrogen-bonded Turntrans-98.919.5178.6-55.9-62.4000113.8G595 L599 M700 A707 T708 N711G595-Y597 VanDerWaalsContact C-N 3.27Å; G595-Y597 PolarHBondContact O-N 3.49Å; G595-Y597 VanDerWaalsContact O-N 3.14Å; Y597-L599 PolarHBondContact O-N 2.98Å; Y597-M700 WeakPolarHBondContact O-CB 3.25Å; Y597-M700 WeakPolarHBondContact O-CG 3.33Å; Y597-A707 HydrophobicContact CD2-CB 3.97Å; Y597-A707 HydrophobicContact CG-CB 4.21Å; Y597-T708 HydrophobicContact CE2-CG2 4.03Å; Y597-N711 HydrophobicContact CD1-CB 4.3Å; Y597-N711 WeakPolarHBondContact CD1-ND2 3.28Å; Y597-N711 HydrophobicContact CE1-CB 3.91Å; Y597-N711 WeakPolarHBondContact CE1-ND2 3.23Å
598C88.5Confident88.9Confident4 Ų450.4 Ų50.43%0.02726%0.264CS..  trans-57.8136.1179.3-177.50000111.2C591 G595 Y600 C698C591-C598 WeakPolarHBondContact CB-SG 3.36Å; G595-C598 WeakPolarHBondContact O-CB 3.43Å; G595-C598 PolarHBondContact O-N 3.48Å; C598-Y600 PolarHBondContact O-N 3.05Å; C598-Y600 PolarHBondContact SG-N 2.83Å; C598-C698 VanDerWaalsContact SG-SG 3.62Å
599L87.7Confident88.7Confident1 Ų149 Ų491%0.00526%0.258CS..THydrogen-bonded Turntrans-70.5-16.9176-60.3179.2000112.9Y597 L686 C698 F699 M700 V815 A818 Q819Y597-L599 PolarHBondContact O-N 2.98Å; L599-L686 HydrophobicContact CD1-CD2 4.27Å; L599-C698 HydrophobicContact CB-CB 4.2Å; L599-C698 HydrophobicContact CD1-CB 4.41Å; L599-C698 HydrophobicContact CG-CB 4.45Å; L599-C698 PolarHBondContact N-SG 3.32Å; L599-C698 VanDerWaalsContact N-SG 3.44Å; L599-F699 HydrophobicContact CD1-CB 4.14Å; L599-M700 HydrophobicContact CD1-CG 4.37Å; L599-M700 HydrophobicContact CD2-CE 4.45Å; L599-M700 HydrophobicContact CD2-CG 3.67Å; L599-M700 HydrophobicContact CG-CB 4.36Å; L599-M700 HydrophobicContact CG-CG 3.81Å; L599-V815 HydrophobicContact CD1-CG1 4.24Å; L599-V815 HydrophobicContact CD1-CG2 4.47Å; L599-V815 HydrophobicContact CD2-CG1 4.27Å; L599-A818 HydrophobicContact CB-CB 4.35Å; L599-A818 HydrophobicContact CD1-CB 4.4Å; L599-A818 HydrophobicContact CD2-CB 4.45Å; L599-Q819 HydrophobicContact CD2-CB 3.75Å; L599-Q819 HydrophobicContact CD2-CG 4.3Å
600Y89Confident88.5Confident18 Ų1859.4 Ų59.47%0.07130%0.297CS..THydrogen-bonded Turntrans-140.455.1-171.3-62.5-71.9000109.8C598 S603 F605 L686 F687 C698C598-Y600 PolarHBondContact O-N 3.05Å; C598-Y600 PolarHBondContact SG-N 2.83Å; Y600-S603 CarbonylContact C-O 3.46Å; Y600-S603 WeakPolarHBondContact CB-O 3.46Å; Y600-F605 HydrophobicContact CE1-CB 4.01Å; Y600-L686 HydrophobicContact CE2-CB 4.37Å; Y600-L686 VanDerWaalsContact OH-CD1 3.23Å; Y600-L686 WeakPolarHBondContact OH-CD1 3.38Å; Y600-F687 HydrophobicContact CD2-CE1 4.39Å; Y600-F687 AromaticContact CD2-CE2 3.54Å; Y600-F687 HydrophobicContact CD2-CE2 3.54Å; Y600-F687 AromaticContact CD2-CZ 3.39Å; Y600-F687 HydrophobicContact CD2-CZ 3.39Å; Y600-F687 HydrophobicContact CE2-CD2 4.11Å; Y600-F687 AromaticContact CE2-CE2 3.21Å; Y600-F687 HydrophobicContact CE2-CE2 3.21Å; Y600-F687 AromaticContact CE2-CZ 3.63Å; Y600-F687 HydrophobicContact CE2-CZ 3.63Å; Y600-F687 HydrophobicContact CG-CE2 4.45Å; Y600-F687 HydrophobicContact CG-CZ 4.11Å; Y600-F687 AromaticContact CZ-CE2 3.9Å; Y600-C698 HydrophobicContact CD2-CB 3.89Å; Y600-C698 HydrophobicContact CE2-CB 4.39Å
601S85.7Confident88.4Confident24 Ų2461.8 Ų61.817%0.16831%0.306CS..SBendtrans-77.8-38.7-179.662.30000112.6E822 R826S601-E822 WeakPolarHBondContact CA-OE1 3.14Å; S601-E822 WeakPolarHBondContact CB-OE1 3.42Å; S601-E822 PolarHBondContact N-OE1 3.48Å; S601-E822 PolarHBondContact OG-OE1 3.07Å; S601-R826 PolarHBondContact OG-NE 3.02Å; S601-R826 VanDerWaalsContact OG-NE 3.17Å; S601-R826 PolarHBondContact OG-NH2 3.1Å
602K84Confident88.4Confident132 Ų13261.9 Ų61.957%0.57431%0.307SS*.SBendtrans-118.5-11.2177.2-66-176.6173-177.60112.9E822 R826 T829K602-E822 PolarHBondContact N-OE1 2.97Å; K602-R826 HydrophobicContact CD-CG 4.28Å; K602-T829 PolarHBondContact NZ-OG1 2.94Å
603S87.9Confident88.5Confident41 Ų4160.7 Ų60.729%0.28730%0.299SS..  trans-114.4173179.364.30000112.1Y600 E822Y600-S603 CarbonylContact C-O 3.46Å; Y600-S603 WeakPolarHBondContact CB-O 3.46Å; S603-E822 VanDerWaalsContact CB-OE2 3.29Å; S603-E822 WeakPolarHBondContact CB-OE2 3.39Å; S603-E822 PolarHBondContact OG-OE2 2.91Å
604S90.3Very high88.8Confident47 Ų4757 Ų5733%0.32928%0.28SS..  trans-133.9147.3176-59.20000110.4F589F589-S604 CarbonylContact O-C 3.48Å; F589-S604 WeakPolarHBondContact O-CA 3.23Å; F589-S604 WeakPolarHBondContact O-CB 3.33Å
605F92.6Very high89.1Confident25 Ų2551.1 Ų51.111%0.1125%0.254CS..EExtended strand (participates in β ladder)trans-68.4132.5168-179.1-85.3000109.6F588 F589 Y600 L607 V681 F683 L686 F687F588-F605 CarbonylContact C-O 3.49Å; F588-F605 WeakPolarHBondContact CA-O 3.11Å; F589-F605 HydrophobicContact CB-CB 4.35Å; F589-F605 HydrophobicContact CD2-CD1 4.03Å; F589-F605 PolarHBondContact N-O 3.3Å; F589-F605 PolarHBondContact O-N 2.79Å; Y600-F605 HydrophobicContact CE1-CB 4.01Å; F605-L607 HydrophobicContact CE1-CB 4.22Å; F605-V681 HydrophobicContact CE1-CG2 4.24Å; F605-V681 HydrophobicContact CZ-CB 4.36Å; F605-V681 HydrophobicContact CZ-CG2 3.89Å; F605-F683 AromaticContact CD1-CD2 3.65Å; F605-F683 HydrophobicContact CD1-CD2 3.65Å; F605-F683 HydrophobicContact CD1-CE2 4.09Å; F605-F683 HydrophobicContact CE1-CB 4.45Å; F605-F683 AromaticContact CE1-CD2 3.69Å; F605-F683 HydrophobicContact CE1-CD2 3.69Å; F605-F683 HydrophobicContact CG-CD2 4.16Å; F605-F683 HydrophobicContact CG-CE2 4.46Å; F605-F683 HydrophobicContact CZ-CB 4.34Å; F605-F683 HydrophobicContact CZ-CD2 4.2Å; F605-L686 HydrophobicContact CD2-CD1 3.94Å; F605-L686 HydrophobicContact CE2-CD1 3.91Å; F605-F687 HydrophobicContact CB-CE2 3.79Å; F605-F687 HydrophobicContact CB-CZ 4.43Å; F605-F687 HydrophobicContact CG-CE2 4.46Å
606T92.8Very high89.5Confident63 Ų6350 Ų5039%0.38724%0.242SC..EExtended strand (participates in β ladder)trans-111.3126.5-177.6-55.80000111K586 L587 F588K586-T606 HydrophobicContact CD-CG2 4.31Å; K586-T606 HydrophobicContact CG-CG2 3.73Å; L587-T606 CarbonylContact O-C 3.5Å; L587-T606 WeakPolarHBondContact O-CA 2.91Å; F588-T606 HydrophobicContact CD1-CG2 4.34Å; F588-T606 HydrophobicContact CE1-CG2 4.03Å; F588-T606 HydrophobicContact CZ-CG2 4.5Å
607L93.4Very high90.1Very high3 Ų344.1 Ų44.12%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-116.7135.5175.2176.965.1000110.2K586 L587 F589 F605 W615 L678 V681K586-L607 WeakPolarHBondContact CA-O 3.46Å; L587-L607 HydrophobicContact CB-CB 4.26Å; L587-L607 HydrophobicContact CD1-CD2 4.09Å; L587-L607 PolarHBondContact N-O 2.68Å; L587-L607 PolarHBondContact O-N 3.24Å; F589-L607 HydrophobicContact CE2-CB 3.84Å; F589-L607 HydrophobicContact CE2-CD2 4.08Å; F589-L607 HydrophobicContact CZ-CD2 4.32Å; F605-L607 HydrophobicContact CE1-CB 4.22Å; L607-W615 HydrophobicContact CD2-CH2 4.34Å; L607-W615 HydrophobicContact CD2-CZ2 3.76Å; L607-L678 HydrophobicContact CD2-CD2 3.79Å; L607-V681 HydrophobicContact CD1-CB 4.4Å; L607-V681 HydrophobicContact CD1-CG1 3.9Å; L607-V681 HydrophobicContact CD1-CG2 3.8Å
608I92.3Very high90.6Very high96 Ų9640 Ų4049%0.49220%0.198SC..EExtended strand (participates in β ladder)trans-108.8108.6174.4-58.4174.9000108.9V584 H677V584-I608 HydrophobicContact CB-CG2 4.22Å; V584-I608 HydrophobicContact CG2-CG2 4.22Å; I608-H677 PolarHBondContact O-CE1 2.65Å; I608-H677 VanDerWaalsContact O-CE1 3.25Å
609S91.8Very high90.8Very high2 Ų240 Ų401%0.01420%0.198CC..EExtended strand (participates in β ladder)trans-102.8139.8-179.2-179.60000112.6V584 A585 Q611 W615V584-S609 CarbonylContact C-O 3.57Å; V584-S609 WeakPolarHBondContact CA-O 3.46Å; A585-S609 PolarHBondContact N-O 2.69Å; A585-S609 PolarHBondContact O-N 3.42Å; S609-Q611 VanDerWaalsContact C-N 3.33Å; S609-Q611 PolarHBondContact OG-N 3.41Å; S609-Q611 VanDerWaalsContact OG-N 3.15Å; S609-W615 PolarHBondContact OG-NE1 3.31Å
610R89.9Confident91Very high223 Ų22340 Ų4084%0.84220%0.199SC*.SBendtrans-90.76.6172.4-63.7-175.9179.5176.20.5113.6V584 P612V584-R610 HydrophobicContact CG1-CG 4.28Å; R610-P612 WeakPolarHBondContact O-CD 3.41Å
611Q89.7Confident91.2Very high72 Ų7239.2 Ų39.234%0.33620%0.195SC..  trans-120.964.6176.9-64.4177-51.700111.3S609 P613 L614 W615S609-Q611 VanDerWaalsContact C-N 3.33Å; S609-Q611 PolarHBondContact OG-N 3.41Å; S609-Q611 VanDerWaalsContact OG-N 3.15Å; Q611-P613 VanDerWaalsContact C-CD 3.48Å; Q611-L614 HydrophobicContact CB-CB 4.14Å; Q611-L614 HydrophobicContact CB-CD2 4.5Å; Q611-L614 PolarHBondContact O-N 3.16Å; Q611-W615 PolarHBondContact O-N 3.31Å
612P90.7Very high91.4Very high3 Ų340.4 Ų40.42%0.01920%0.197CC..Hα-helixtrans-53.3-44177.6-24.232.3000115.3I576 A585 R610 L614 W615 I616 T648I576-P612 HydrophobicContact CD1-CB 3.89Å; A585-P612 HydrophobicContact CB-CB 3.92Å; A585-P612 HydrophobicContact CB-CG 3.95Å; R610-P612 WeakPolarHBondContact O-CD 3.41Å; P612-L614 VanDerWaalsContact C-N 3.29Å; P612-L614 PolarHBondContact O-N 3.18Å; P612-W615 PolarHBondContact O-N 3.15Å; P612-I616 WeakPolarHBondContact O-CG1 3.4Å; P612-I616 PolarHBondContact O-N 3.02Å; P612-T648 HydrophobicContact CB-CG2 3.44Å; P612-T648 VanDerWaalsContact CB-CG2 3.44Å; P612-T648 HydrophobicContact CG-CG2 4.29Å
613P90.6Very high91.7Very high47 Ų4734.8 Ų34.831%0.30517%0.173SC..Hα-helixtrans-59.2-39.7-178.2-26.937.2000113.1Q611 I616 H617 W645Q611-P613 VanDerWaalsContact C-CD 3.48Å; P613-I616 PolarHBondContact O-N 3.49Å; P613-H617 PolarHBondContact O-N 2.94Å; P613-W645 HydrophobicContact CB-CE3 4.25Å; P613-W645 HydrophobicContact CB-CH2 3.78Å; P613-W645 HydrophobicContact CB-CZ3 3.56Å; P613-W645 WeakPolarHBondContact O-CZ3 3.49Å
614L92.4Very high91.7Very high20 Ų2032.9 Ų32.911%0.10516%0.16CC..Hα-helixtrans-65.3-42.9179.7179.361.3000111.8Q611 P612 H617 I618 P666 D670 V674Q611-L614 HydrophobicContact CB-CB 4.14Å; Q611-L614 HydrophobicContact CB-CD2 4.5Å; Q611-L614 PolarHBondContact O-N 3.16Å; P612-L614 VanDerWaalsContact C-N 3.29Å; P612-L614 PolarHBondContact O-N 3.18Å; L614-H617 WeakPolarHBondContact O-CB 3.17Å; L614-H617 PolarHBondContact O-N 3.22Å; L614-I618 HydrophobicContact CD1-CD1 4.37Å; L614-I618 HydrophobicContact CG-CD1 4.14Å; L614-I618 WeakPolarHBondContact O-CG1 3.45Å; L614-I618 PolarHBondContact O-N 3.17Å; L614-P666 HydrophobicContact CD1-CB 3.77Å; L614-P666 HydrophobicContact CD1-CG 4.16Å; L614-D670 HydrophobicContact CD1-CB 4.12Å; L614-D670 HydrophobicContact CD2-CB 3.84Å; L614-V674 HydrophobicContact CD2-CG2 3.43Å; L614-V674 VanDerWaalsContact CD2-CG2 3.43Å; L614-V674 HydrophobicContact CG-CG2 4.25Å
615W94Very high91.7Very high1 Ų131.9 Ų31.90%0.00415%0.153CC..Hα-helixtrans-66.8-39177.2-79.3102.4000112.4I568 P571 L587 F589 L607 S609 Q611 P612 H617 I618 M619 V674 L678I568-W615 HydrophobicContact CG2-CH2 4.19Å; I568-W615 HydrophobicContact CG2-CZ3 4.17Å; P571-W615 HydrophobicContact CG-CE3 4.36Å; L587-W615 HydrophobicContact CD1-CB 4.32Å; L587-W615 HydrophobicContact CD1-CD2 3.29Å; L587-W615 HydrophobicContact CD1-CE3 3.82Å; L587-W615 HydrophobicContact CD1-CG 3.54Å; L587-W615 HydrophobicContact CD1-CH2 4.29Å; L587-W615 HydrophobicContact CD1-CZ2 3.83Å; L587-W615 HydrophobicContact CD1-CZ3 4.29Å; L587-W615 HydrophobicContact CD2-CB 4.4Å; L587-W615 HydrophobicContact CD2-CG 4.46Å; F589-W615 HydrophobicContact CZ-CH2 4.08Å; F589-W615 HydrophobicContact CZ-CZ3 4.23Å; L607-W615 HydrophobicContact CD2-CH2 4.34Å; L607-W615 HydrophobicContact CD2-CZ2 3.76Å; S609-W615 PolarHBondContact OG-NE1 3.31Å; Q611-W615 PolarHBondContact O-N 3.31Å; P612-W615 PolarHBondContact O-N 3.15Å; W615-H617 VanDerWaalsContact C-N 3.29Å; W615-H617 PolarHBondContact O-N 3.31Å; W615-I618 HydrophobicContact CE3-CD1 4.37Å; W615-I618 PolarHBondContact O-N 2.96Å; W615-M619 WeakPolarHBondContact O-CB 3.41Å; W615-M619 WeakPolarHBondContact O-CG 3.43Å; W615-M619 PolarHBondContact O-N 3.37Å; W615-V674 HydrophobicContact CH2-CG1 3.68Å; W615-V674 HydrophobicContact CZ2-CG1 3.45Å; W615-V674 VanDerWaalsContact CZ2-CG1 3.45Å; W615-L678 HydrophobicContact CH2-CD1 4.44Å
616I93.1Very high91.3Very high0 Ų034.3 Ų34.30%017%0.167CC..Hα-helixtrans-62-40.4174.7-65.4165000110.6P612 P613 M619 F620 L641 L644 W645 T648 F656P612-I616 WeakPolarHBondContact O-CG1 3.4Å; P612-I616 PolarHBondContact O-N 3.02Å; P613-I616 PolarHBondContact O-N 3.49Å; I616-M619 PolarHBondContact O-N 2.81Å; I616-F620 WeakPolarHBondContact O-CB 3.36Å; I616-F620 PolarHBondContact O-N 3.11Å; I616-L641 HydrophobicContact CG2-CB 4.13Å; I616-L641 HydrophobicContact CG2-CD2 4.41Å; I616-L644 HydrophobicContact CD1-CB 3.97Å; I616-L644 HydrophobicContact CG1-CB 4.36Å; I616-W645 HydrophobicContact CB-CE3 4.17Å; I616-W645 HydrophobicContact CD1-CB 4.33Å; I616-W645 HydrophobicContact CD1-CE3 4.36Å; I616-W645 HydrophobicContact CG2-CB 4.44Å; I616-W645 HydrophobicContact CG2-CE3 3.95Å; I616-T648 HydrophobicContact CD1-CG2 3.93Å; I616-F656 HydrophobicContact CG2-CE2 4.1Å
617H92.3Very high90.9Very high17 Ų1734 Ų348%0.07916%0.16CC..Hα-helixtrans-64.4-44.9175.6-171.6-174.3000112.3P613 L614 W615 M619 F620 L621 M660 S663 T664P613-H617 PolarHBondContact O-N 2.94Å; L614-H617 WeakPolarHBondContact O-CB 3.17Å; L614-H617 PolarHBondContact O-N 3.22Å; W615-H617 VanDerWaalsContact C-N 3.29Å; W615-H617 PolarHBondContact O-N 3.31Å; H617-M619 VanDerWaalsContact C-N 3.34Å; H617-M619 PolarHBondContact O-N 2.85Å; H617-F620 WeakPolarHBondContact O-CB 3.32Å; H617-F620 PolarHBondContact O-N 3.2Å; H617-L621 WeakPolarHBondContact O-CG 3.46Å; H617-L621 PolarHBondContact O-N 2.85Å; H617-M660 HydrophobicContact CB-CE 3.95Å; H617-M660 HydrophobicContact CB-SD 4.19Å; H617-M660 PolarHBondContact CD2-SD 3.02Å; H617-S663 PolarHBondContact CE1-O 3.16Å; H617-S663 PolarHBondContact NE2-O 3Å; H617-T664 PolarHBondContact NE2-O 3.03Å; H617-T664 VanDerWaalsContact NE2-O 3.11Å
618I93.4Very high90.4Very high0 Ų037.4 Ų37.40%019%0.189CC..Hα-helixtrans-58.9-46.1174.7-70.1166.6000110.8M564 I570 L614 W615 F620 L621 F622 P666 L671M564-I618 HydrophobicContact CE-CG2 3.9Å; M564-I618 HydrophobicContact SD-CG1 4.35Å; M564-I618 HydrophobicContact SD-CG2 4.31Å; I570-I618 HydrophobicContact CD1-CG2 3.67Å; L614-I618 HydrophobicContact CD1-CD1 4.37Å; L614-I618 HydrophobicContact CG-CD1 4.14Å; L614-I618 WeakPolarHBondContact O-CG1 3.45Å; L614-I618 PolarHBondContact O-N 3.17Å; W615-I618 HydrophobicContact CE3-CD1 4.37Å; W615-I618 PolarHBondContact O-N 2.96Å; I618-F620 PolarHBondContact O-N 3.47Å; I618-L621 PolarHBondContact O-N 2.7Å; I618-F622 PolarHBondContact O-N 3.05Å; I618-P666 HydrophobicContact CG1-CG 4.33Å; I618-L671 HydrophobicContact CD1-CD2 4.01Å; I618-L671 HydrophobicContact CG1-CD2 4.34Å
619M93.1Very high90.1Very high4 Ų439 Ų392%0.0219%0.194CC..Hα-helixtrans-63.3-40.1178.2-68.9166.973.200112F479 P571 C574 W615 I616 H617 F622 Q623 L641F479-M619 HydrophobicContact CD2-CE 3.67Å; F479-M619 HydrophobicContact CE1-CE 4.09Å; F479-M619 HydrophobicContact CE2-CE 3.13Å; F479-M619 HydrophobicContact CG-CE 4.4Å; F479-M619 HydrophobicContact CZ-CE 3.37Å; P571-M619 HydrophobicContact CG-CE 4.42Å; P571-M619 HydrophobicContact CG-CG 4.06Å; P571-M619 HydrophobicContact CG-SD 3.91Å; C574-M619 HydrophobicContact CB-CE 3.73Å; C574-M619 HydrophobicContact CB-SD 3.89Å; W615-M619 WeakPolarHBondContact O-CB 3.41Å; W615-M619 WeakPolarHBondContact O-CG 3.43Å; W615-M619 PolarHBondContact O-N 3.37Å; I616-M619 PolarHBondContact O-N 2.81Å; H617-M619 VanDerWaalsContact C-N 3.34Å; H617-M619 PolarHBondContact O-N 2.85Å; M619-F622 PolarHBondContact O-N 2.9Å; M619-Q623 WeakPolarHBondContact O-CG 3.23Å; M619-Q623 PolarHBondContact O-N 3.36Å; M619-L641 HydrophobicContact CB-CD1 4.3Å; M619-L641 HydrophobicContact CB-CD2 4.05Å; M619-L641 HydrophobicContact CE-CD2 4.01Å
620F93Very high90Very high3 Ų339.5 Ų39.51%0.01320%0.197CC..Hα-helixtrans-60.9-48.7175.9168.2-104.6000112L546 L550 I616 H617 I618 F622 Q623 Q624 V638 L641 F656 M660L546-F620 HydrophobicContact CD1-CZ 3.88Å; L546-F620 HydrophobicContact CD2-CE2 4.16Å; L546-F620 HydrophobicContact CD2-CZ 4.19Å; L546-F620 HydrophobicContact CG-CZ 4.33Å; L550-F620 HydrophobicContact CD1-CE2 4.28Å; L550-F620 HydrophobicContact CD1-CZ 3.62Å; L550-F620 HydrophobicContact CD2-CE1 4.21Å; L550-F620 HydrophobicContact CD2-CZ 4.05Å; L550-F620 HydrophobicContact CG-CZ 4.3Å; I616-F620 WeakPolarHBondContact O-CB 3.36Å; I616-F620 PolarHBondContact O-N 3.11Å; H617-F620 WeakPolarHBondContact O-CB 3.32Å; H617-F620 PolarHBondContact O-N 3.2Å; I618-F620 PolarHBondContact O-N 3.47Å; F620-F622 VanDerWaalsContact C-N 3.28Å; F620-F622 PolarHBondContact O-N 2.74Å; F620-Q623 PolarHBondContact O-N 3.27Å; F620-Q624 PolarHBondContact O-N 2.78Å; F620-V638 HydrophobicContact CD2-CG2 4.49Å; F620-V638 HydrophobicContact CE2-CG2 4.18Å; F620-L641 HydrophobicContact CB-CD1 3.61Å; F620-L641 HydrophobicContact CD2-CD1 4.44Å; F620-F656 AromaticContact CD2-CZ 4Å; F620-F656 HydrophobicContact CD2-CZ 4Å; F620-F656 HydrophobicContact CE2-CZ 4.49Å; F620-F656 HydrophobicContact CG-CZ 4.35Å; F620-M660 HydrophobicContact CB-SD 4.31Å; F620-M660 HydrophobicContact CD1-CB 4.43Å; F620-M660 HydrophobicContact CD1-CG 4.05Å; F620-M660 HydrophobicContact CD1-SD 3.62Å; F620-M660 HydrophobicContact CE1-CB 4.05Å; F620-M660 HydrophobicContact CE1-CG 4.11Å; F620-M660 HydrophobicContact CE1-SD 4.2Å; F620-M660 HydrophobicContact CG-CG 4.45Å; F620-M660 HydrophobicContact CG-SD 4.08Å
621L92.4Very high89.9Confident1 Ų129.3 Ų29.31%0.00516%0.159CC..Hα-helixtrans-60.6-41.7178.1-69.1177000111.5V557 Y560 V561 H617 I618 Q624 S625 T664 F665 P666V557-L621 HydrophobicContact CG1-CD2 4.04Å; V557-L621 HydrophobicContact CG2-CD2 4.48Å; Y560-L621 HydrophobicContact CD1-CD1 4.24Å; Y560-L621 HydrophobicContact CE1-CD1 3.93Å; V561-L621 HydrophobicContact CG2-CB 3.82Å; V561-L621 WeakPolarHBondContact CG2-O 3.47Å; H617-L621 WeakPolarHBondContact O-CG 3.46Å; H617-L621 PolarHBondContact O-N 2.85Å; I618-L621 PolarHBondContact O-N 2.7Å; L621-Q624 PolarHBondContact O-N 2.59Å; L621-S625 PolarHBondContact O-N 3.05Å; L621-T664 WeakPolarHBondContact CD2-O 3.28Å; L621-F665 HydrophobicContact CD1-CD1 4.31Å; L621-P666 HydrophobicContact CD1-CG 4.33Å
622F90.2Very high89.8Confident48 Ų4827.3 Ų27.321%0.21115%0.154CC..Hα-helixtrans-65-46.2177.3-171.4-108.2000112.2Y483 V561 I570 I618 M619 F620 Q624 S625 L626Y483-F622 WeakPolarHBondContact OH-CE1 3.22Å; Y483-F622 WeakPolarHBondContact OH-CZ 3.34Å; V561-F622 HydrophobicContact CG1-CB 4.5Å; V561-F622 HydrophobicContact CG1-CD2 3.6Å; V561-F622 HydrophobicContact CG1-CE2 4.38Å; V561-F622 HydrophobicContact CG1-CG 4.49Å; I570-F622 HydrophobicContact CB-CD1 4.06Å; I570-F622 HydrophobicContact CB-CE1 3.99Å; I570-F622 HydrophobicContact CB-CG 4.34Å; I570-F622 HydrophobicContact CB-CZ 4.36Å; I570-F622 HydrophobicContact CD1-CB 3.53Å; I570-F622 HydrophobicContact CD1-CD1 4.16Å; I570-F622 HydrophobicContact CD1-CD2 3.8Å; I570-F622 HydrophobicContact CD1-CG 3.59Å; I570-F622 HydrophobicContact CG1-CB 4.06Å; I570-F622 HydrophobicContact CG1-CD1 3.74Å; I570-F622 HydrophobicContact CG1-CD2 3.54Å; I570-F622 HydrophobicContact CG1-CE1 3.85Å; I570-F622 HydrophobicContact CG1-CE2 3.77Å; I570-F622 HydrophobicContact CG1-CG 3.52Å; I570-F622 HydrophobicContact CG1-CZ 3.91Å; I570-F622 HydrophobicContact CG2-CB 4.47Å; I570-F622 HydrophobicContact CG2-CD1 3.6Å; I570-F622 HydrophobicContact CG2-CE1 3.86Å; I570-F622 HydrophobicContact CG2-CG 4.12Å; I618-F622 PolarHBondContact O-N 3.05Å; M619-F622 PolarHBondContact O-N 2.9Å; F620-F622 VanDerWaalsContact C-N 3.28Å; F620-F622 PolarHBondContact O-N 2.74Å; F622-Q624 VanDerWaalsContact C-N 3.32Å; F622-Q624 PolarHBondContact O-N 2.94Å; F622-S625 WeakPolarHBondContact O-CB 3.35Å; F622-S625 PolarHBondContact O-N 3.23Å; F622-S625 PolarHBondContact O-OG 3.37Å; F622-L626 HydrophobicContact CD1-CD1 4.4Å; F622-L626 HydrophobicContact CE1-CD1 4.43Å; F622-L626 HydrophobicContact CZ-CD2 4.5Å; F622-L626 WeakPolarHBondContact O-CG 3.35Å; F622-L626 PolarHBondContact O-N 3.11Å
623Q89.5Confident89.6Confident15 Ų1528.6 Ų28.67%0.0716%0.16CC..Hα-helixtrans-54.7-48.7173.4-76.6-177.7-16.800111.2M619 F620 S625 L626 F627 L631 P637M619-Q623 WeakPolarHBondContact O-CG 3.23Å; M619-Q623 PolarHBondContact O-N 3.36Å; F620-Q623 PolarHBondContact O-N 3.27Å; Q623-S625 PolarHBondContact O-N 3.43Å; Q623-L626 WeakPolarHBondContact O-CB 3.19Å; Q623-L626 PolarHBondContact O-N 3.04Å; Q623-F627 WeakPolarHBondContact O-CD2 3.45Å; Q623-L631 HydrophobicContact CB-CD1 4.27Å; Q623-P637 PolarHBondContact OE1-O 3.2Å
624Q89.4Confident89.3Confident0 Ų033.9 Ų33.90%018%0.18CC..Hα-helixtrans-57.3-34.8176.9178.856.666.600112.9L550 L554 V557 F620 L621 F622 L626 F627 E629 L631L550-Q624 HydrophobicContact CD1-CG 4.36Å; L550-Q624 HydrophobicContact CD2-CG 4.22Å; L554-Q624 HydrophobicContact CD1-CG 4.13Å; V557-Q624 HydrophobicContact CG1-CB 4.26Å; V557-Q624 HydrophobicContact CG1-CG 3.96Å; F620-Q624 PolarHBondContact O-N 2.78Å; L621-Q624 PolarHBondContact O-N 2.59Å; F622-Q624 VanDerWaalsContact C-N 3.32Å; F622-Q624 PolarHBondContact O-N 2.94Å; Q624-L626 VanDerWaalsContact C-N 3.25Å; Q624-L626 PolarHBondContact O-N 3.45Å; Q624-F627 PolarHBondContact O-N 3.24Å; Q624-E629 PolarHBondContact NE2-O 2.95Å; Q624-E629 VanDerWaalsContact NE2-O 3.1Å; Q624-L631 HydrophobicContact CB-CD1 4.16Å; Q624-L631 VanDerWaalsContact OE1-CB 3.3Å
625S88.6Confident89Confident27 Ų2734.2 Ų34.219%0.18918%0.184CC..Hα-helixtrans-66.6-27.3179.379.20000113.5V561 L621 F622 Q623V561-S625 WeakPolarHBondContact CG1-OG 3.45Å; L621-S625 PolarHBondContact O-N 3.05Å; F622-S625 WeakPolarHBondContact O-CB 3.35Å; F622-S625 PolarHBondContact O-N 3.23Å; F622-S625 PolarHBondContact O-OG 3.37Å; Q623-S625 PolarHBondContact O-N 3.43Å
626L85.3Confident88.6Confident75 Ų7539.7 Ų39.739%0.39321%0.214SC..Hα-helixtrans-74.9-29.4-179.9-56.2169.8000112.3Y483 F622 Q623 Q624Y483-L626 HydrophobicContact CE1-CD1 3.92Å; Y483-L626 HydrophobicContact CE1-CD2 3.85Å; Y483-L626 HydrophobicContact CE2-CD1 4.01Å; Y483-L626 VanDerWaalsContact CZ-CD1 3.43Å; Y483-L626 WeakPolarHBondContact OH-CD1 3.46Å; Y483-L626 WeakPolarHBondContact OH-CD2 3.31Å; F622-L626 HydrophobicContact CD1-CD1 4.4Å; F622-L626 HydrophobicContact CE1-CD1 4.43Å; F622-L626 HydrophobicContact CZ-CD2 4.5Å; F622-L626 WeakPolarHBondContact O-CG 3.35Å; F622-L626 PolarHBondContact O-N 3.11Å; Q623-L626 WeakPolarHBondContact O-CB 3.19Å; Q623-L626 PolarHBondContact O-N 3.04Å; Q624-L626 VanDerWaalsContact C-N 3.25Å; Q624-L626 PolarHBondContact O-N 3.45Å
627F84.9Confident88.3Confident57 Ų5740.3 Ų40.325%0.2522%0.218CC..  trans-87.2140.5-179.7-65.8-86.3000111.6K558 Q623 Q624 E629 L631 P637K558-F627 WeakPolarHBondContact CE-O 3.3Å; K558-F627 PolarHBondContact NZ-O 3.26Å; Q623-F627 WeakPolarHBondContact O-CD2 3.45Å; Q624-F627 PolarHBondContact O-N 3.24Å; F627-E629 WeakPolarHBondContact CB-O 3.3Å; F627-L631 HydrophobicContact CB-CD2 4.47Å; F627-L631 HydrophobicContact CD1-CD2 4.45Å; F627-L631 HydrophobicContact CD2-CD1 4.07Å; F627-L631 HydrophobicContact CD2-CD2 3.65Å; F627-L631 HydrophobicContact CD2-CG 4.1Å; F627-L631 HydrophobicContact CE2-CD1 4.47Å; F627-L631 HydrophobicContact CE2-CD2 3.99Å; F627-L631 HydrophobicContact CG-CD2 3.93Å; F627-P637 HydrophobicContact CE2-CG 4.12Å; F627-P637 HydrophobicContact CZ-CG 3.99Å
628A82.4Confident88.1Confident75 Ų7539.5 Ų39.562%0.6221%0.214SC*.SBendtrans-68.7-39.7172.700000111.1L554L554-A628 WeakPolarHBondContact CD2-O 3.39Å
629E85.7Confident87.9Confident130 Ų13043.3 Ų43.361%0.60723%0.232SC*.SBendtrans-96155179.4-67.3-60.2147.200112.4Q624 F627Q624-E629 PolarHBondContact NE2-O 2.95Å; Q624-E629 VanDerWaalsContact NE2-O 3.1Å; F627-E629 WeakPolarHBondContact CB-O 3.3Å
630P88.5Confident87.7Confident11 Ų1144 Ų447%0.07124%0.237CC..PPolyproline II helixtrans-62.2136.5173.4-18.231.5000111.7Y547 L550 K551 L554Y547-P630 HydrophobicContact CD2-CB 3.77Å; Y547-P630 VanDerWaalsContact CD2-O 3.31Å; Y547-P630 WeakPolarHBondContact CD2-O 3.31Å; Y547-P630 HydrophobicContact CE2-CB 3.75Å; Y547-P630 HydrophobicContact CE2-CG 4.11Å; Y547-P630 VanDerWaalsContact CE2-O 3.25Å; Y547-P630 WeakPolarHBondContact CE2-O 3.42Å; L550-P630 HydrophobicContact CB-CB 3.87Å; K551-P630 HydrophobicContact CB-CB 4.36Å; K551-P630 HydrophobicContact CB-CG 3.74Å; K551-P630 HydrophobicContact CG-CG 4.11Å; L554-P630 HydrophobicContact CD2-CG 4.45Å
631L89Confident87.6Confident9 Ų943.9 Ų43.95%0.04724%0.236CC..PPolyproline II helixtrans-74.7140.3175.8-68.8171000110.6L550 Q623 Q624 F627 V638L550-L631 HydrophobicContact CD1-CB 4.25Å; L550-L631 WeakPolarHBondContact CD1-O 3.44Å; Q623-L631 HydrophobicContact CB-CD1 4.27Å; Q624-L631 HydrophobicContact CB-CD1 4.16Å; Q624-L631 VanDerWaalsContact OE1-CB 3.3Å; F627-L631 HydrophobicContact CB-CD2 4.47Å; F627-L631 HydrophobicContact CD1-CD2 4.45Å; F627-L631 HydrophobicContact CD2-CD1 4.07Å; F627-L631 HydrophobicContact CD2-CD2 3.65Å; F627-L631 HydrophobicContact CD2-CG 4.1Å; F627-L631 HydrophobicContact CE2-CD1 4.47Å; F627-L631 HydrophobicContact CE2-CD2 3.99Å; F627-L631 HydrophobicContact CG-CD2 3.93Å; L631-V638 HydrophobicContact CB-CG2 3.75Å; L631-V638 HydrophobicContact CD1-CG2 3.97Å; L631-V638 HydrophobicContact CG-CG2 4.33Å
632S88.2Confident87.5Confident31 Ų3146.6 Ų46.622%0.21725%0.248CC..PPolyproline II helixtrans-95.2161.8170.967.50000111.2D544 E634 S635 V638D544-S632 WeakPolarHBondContact OD2-CA 3.33Å; D544-S632 WeakPolarHBondContact OD2-CB 3.46Å; S632-E634 PolarHBondContact O-N 3.05Å; S632-E634 PolarHBondContact OG-N 3.37Å; S632-S635 PolarHBondContact N-OG 3.01Å; S632-S635 WeakPolarHBondContact O-CB 3.19Å; S632-S635 PolarHBondContact O-N 3.43Å; S632-S635 PolarHBondContact O-OG 2.98Å; S632-S635 PolarHBondContact OG-N 3.2Å; S632-S635 PolarHBondContact OG-OG 2.64Å; S632-V638 WeakPolarHBondContact O-CB 3.34Å; S632-V638 WeakPolarHBondContact O-CG2 2.86Å
633I86.3Confident87.5Confident30 Ų3046.5 Ų46.515%0.15426%0.255CS..THydrogen-bonded Turntrans-59.8-24.5172.4-162.564.2000112.3D544 L546 V638 Q639 K642 F656 E657D544-I633 PolarHBondContact OD2-N 3.19Å; L546-I633 HydrophobicContact CD2-CD1 4.24Å; I633-V638 HydrophobicContact CD1-CG1 4.05Å; I633-Q639 PolarHBondContact O-NE2 3.22Å; I633-K642 HydrophobicContact CD1-CD 4.25Å; I633-F656 HydrophobicContact CD1-CD1 3.98Å; I633-F656 HydrophobicContact CD1-CE1 4.33Å; I633-E657 HydrophobicContact CD1-CB 4.47Å
634E83.2Confident87.5Confident157 Ų15746.3 Ų46.373%0.73426%0.255SS*.THydrogen-bonded Turntrans-84.7-11.4178-61.7-174.8171.900113.2S632 N636S632-E634 PolarHBondContact O-N 3.05Å; S632-E634 PolarHBondContact OG-N 3.37Å; E634-N636 PolarHBondContact O-N 3.37Å
635S86.4Confident87.5Confident27 Ų2747.5 Ų47.519%0.18926%0.259CS..SBendtrans-63.1132.4178.9-62.10000110.4S632 P637 V638 Q639S632-S635 PolarHBondContact N-OG 3.01Å; S632-S635 WeakPolarHBondContact O-CB 3.19Å; S632-S635 PolarHBondContact O-N 3.43Å; S632-S635 PolarHBondContact O-OG 2.98Å; S632-S635 PolarHBondContact OG-N 3.2Å; S632-S635 PolarHBondContact OG-OG 2.64Å; S635-P637 VanDerWaalsContact C-CD 3.45Å; S635-V638 WeakPolarHBondContact O-CA 3.44Å; S635-V638 WeakPolarHBondContact O-CB 3.04Å; S635-V638 PolarHBondContact O-N 2.98Å; S635-Q639 PolarHBondContact O-N 3.02Å
636N86.7Confident87.4Confident116 Ų11651.7 Ų51.762%0.6228%0.276SS*.Hα-helixtrans-50.9-45.2-177.9-174.321.9000113.6E634 V638 Q639 V640E634-N636 PolarHBondContact O-N 3.37Å; N636-V638 VanDerWaalsContact C-N 3.27Å; N636-V638 PolarHBondContact O-N 3.4Å; N636-Q639 PolarHBondContact O-N 3.25Å; N636-V640 WeakPolarHBondContact O-CG2 3.29Å; N636-V640 PolarHBondContact O-N 3.28Å; N636-V640 VanDerWaalsContact O-N 3.08Å
637P85.1Confident87.4Confident13 Ų1354.2 Ų54.28%0.08428%0.284CS..Hα-helixtrans-60-36.6176.2-21.733.5000113.3I482 Q623 F627 S635 L641I482-P637 HydrophobicContact CD1-CG 4.49Å; Q623-P637 PolarHBondContact OE1-O 3.2Å; F627-P637 HydrophobicContact CE2-CG 4.12Å; F627-P637 HydrophobicContact CZ-CG 3.99Å; S635-P637 VanDerWaalsContact C-CD 3.45Å; P637-L641 PolarHBondContact O-N 2.61Å
638V89.1Confident87.3Confident0 Ų052 Ų520%028%0.275CS..Hα-helixtrans-73.4-39.4179.4-178.20000111.2L546 F620 L631 S632 I633 S635 N636 V640 L641 K642 F656L546-V638 HydrophobicContact CD2-CG1 4.12Å; F620-V638 HydrophobicContact CD2-CG2 4.49Å; F620-V638 HydrophobicContact CE2-CG2 4.18Å; L631-V638 HydrophobicContact CB-CG2 3.75Å; L631-V638 HydrophobicContact CD1-CG2 3.97Å; L631-V638 HydrophobicContact CG-CG2 4.33Å; S632-V638 WeakPolarHBondContact O-CB 3.34Å; S632-V638 WeakPolarHBondContact O-CG2 2.86Å; I633-V638 HydrophobicContact CD1-CG1 4.05Å; S635-V638 WeakPolarHBondContact O-CA 3.44Å; S635-V638 WeakPolarHBondContact O-CB 3.04Å; S635-V638 PolarHBondContact O-N 2.98Å; N636-V638 VanDerWaalsContact C-N 3.27Å; N636-V638 PolarHBondContact O-N 3.4Å; V638-V640 VanDerWaalsContact C-N 3.32Å; V638-V640 PolarHBondContact O-N 3.41Å; V638-L641 PolarHBondContact O-N 2.7Å; V638-K642 VanDerWaalsContact O-CB 3.24Å; V638-K642 WeakPolarHBondContact O-CB 3.28Å; V638-K642 PolarHBondContact O-N 3.17Å; V638-F656 HydrophobicContact CG1-CE1 3.63Å; V638-F656 HydrophobicContact CG1-CZ 4.16Å
639Q88.7Confident86.8Confident80 Ų8051.4 Ų51.437%0.37426%0.26SS..Hα-helixtrans-60.9-40.8174.8-72.3-73.7-6.400111.8I633 S635 N636 K642 A643I633-Q639 PolarHBondContact O-NE2 3.22Å; S635-Q639 PolarHBondContact O-N 3.02Å; N636-Q639 PolarHBondContact O-N 3.25Å; Q639-K642 PolarHBondContact O-N 3Å; Q639-A643 PolarHBondContact O-N 3.17Å
640V89.3Confident85.5Confident20 Ų2052 Ų5212%0.12127%0.266CS..Hα-helixtrans-60-49.6174.5167.10000111.2I477 F479 N636 V638 K642 A643 L644I477-V640 HydrophobicContact CB-CG1 4.43Å; I477-V640 HydrophobicContact CD1-CG1 3.75Å; I477-V640 HydrophobicContact CD1-CG2 4.41Å; I477-V640 HydrophobicContact CG2-CG1 3.87Å; I477-V640 HydrophobicContact CG2-CG2 4.46Å; F479-V640 HydrophobicContact CE1-CG1 3.71Å; F479-V640 HydrophobicContact CZ-CG1 3.81Å; N636-V640 WeakPolarHBondContact O-CG2 3.29Å; N636-V640 PolarHBondContact O-N 3.28Å; N636-V640 VanDerWaalsContact O-N 3.08Å; V638-V640 VanDerWaalsContact C-N 3.32Å; V638-V640 PolarHBondContact O-N 3.41Å; V640-K642 VanDerWaalsContact C-N 3.34Å; V640-K642 PolarHBondContact O-N 2.97Å; V640-A643 PolarHBondContact O-N 2.83Å; V640-L644 PolarHBondContact O-N 3.18Å; V640-L644 VanDerWaalsContact O-N 3.14Å
641L90.9Very high83.6Confident0 Ų062 Ų620%031%0.309CS..Hα-helixtrans-67.4-34.8179.3-68.5-174.7000112.7F479 I616 M619 F620 P637 V638 L644 W645 F656F479-L641 HydrophobicContact CE1-CD2 4.09Å; F479-L641 HydrophobicContact CZ-CD2 3.98Å; I616-L641 HydrophobicContact CG2-CB 4.13Å; I616-L641 HydrophobicContact CG2-CD2 4.41Å; M619-L641 HydrophobicContact CB-CD1 4.3Å; M619-L641 HydrophobicContact CB-CD2 4.05Å; M619-L641 HydrophobicContact CE-CD2 4.01Å; F620-L641 HydrophobicContact CB-CD1 3.61Å; F620-L641 HydrophobicContact CD2-CD1 4.44Å; P637-L641 PolarHBondContact O-N 2.61Å; V638-L641 PolarHBondContact O-N 2.7Å; L641-L644 HydrophobicContact CD2-CD1 4.28Å; L641-L644 PolarHBondContact O-N 3.31Å; L641-W645 WeakPolarHBondContact O-CB 3.44Å; L641-W645 PolarHBondContact O-N 3.3Å; L641-F656 HydrophobicContact CB-CE2 4.14Å; L641-F656 HydrophobicContact CB-CZ 4.3Å
642K90Very high81.9Confident58 Ų5865.7 Ų65.725%0.25235%0.349SS..Hα-helixtrans-62.4-44.8174.1-178.3-176.8174.6-1730111.2I633 V638 Q639 V640 L644 W645 E646 F656I633-K642 HydrophobicContact CD1-CD 4.25Å; V638-K642 VanDerWaalsContact O-CB 3.24Å; V638-K642 WeakPolarHBondContact O-CB 3.28Å; V638-K642 PolarHBondContact O-N 3.17Å; Q639-K642 PolarHBondContact O-N 3Å; V640-K642 VanDerWaalsContact C-N 3.34Å; V640-K642 PolarHBondContact O-N 2.97Å; K642-L644 VanDerWaalsContact C-N 3.32Å; K642-L644 PolarHBondContact O-N 3.44Å; K642-W645 WeakPolarHBondContact O-CB 3.43Å; K642-W645 PolarHBondContact O-N 3.14Å; K642-W645 VanDerWaalsContact O-N 3.13Å; K642-E646 WeakPolarHBondContact CE-OE1 3.36Å; K642-E646 WeakPolarHBondContact O-CG 3.13Å; K642-E646 PolarHBondContact O-N 3.25Å; K642-F656 HydrophobicContact CB-CD1 4.35Å; K642-F656 HydrophobicContact CB-CG 4.26Å; K642-F656 HydrophobicContact CG-CB 4.18Å; K642-F656 HydrophobicContact CG-CG 4.34Å
643A89.4Confident80.6Confident45 Ų4567.9 Ų67.937%0.37236%0.361SS..Hα-helixtrans-62-39.717600000112.1Q639 V640 K647Q639-A643 PolarHBondContact O-N 3.17Å; V640-A643 PolarHBondContact O-N 2.83Å; A643-K647 WeakPolarHBondContact O-CG 3.42Å; A643-K647 PolarHBondContact O-N 3.47Å
644L89.6Confident79.9Confident12 Ų1272.1 Ų72.16%0.06338%0.38CS..Hα-helixtrans-64.5-42.1172.7-65.6174.7000111.3F479 C574 I576 I616 V640 L641 K642 E646 K647 T648F479-L644 HydrophobicContact CZ-CD1 4.21Å; C574-L644 HydrophobicContact CB-CD1 4.23Å; I576-L644 HydrophobicContact CG1-CB 4.36Å; I576-L644 HydrophobicContact CG1-CD2 4.05Å; I616-L644 HydrophobicContact CD1-CB 3.97Å; I616-L644 HydrophobicContact CG1-CB 4.36Å; V640-L644 PolarHBondContact O-N 3.18Å; V640-L644 VanDerWaalsContact O-N 3.14Å; L641-L644 HydrophobicContact CD2-CD1 4.28Å; L641-L644 PolarHBondContact O-N 3.31Å; K642-L644 VanDerWaalsContact C-N 3.32Å; K642-L644 PolarHBondContact O-N 3.44Å; L644-E646 PolarHBondContact O-N 3.38Å; L644-K647 PolarHBondContact O-N 3.11Å; L644-T648 WeakPolarHBondContact O-CG2 3.45Å; L644-T648 PolarHBondContact O-N 3.41Å
645W89.6Confident80Confident24 Ų2467.3 Ų67.39%0.09136%0.364CS..Hα-helixtrans-61.9-44.2178.6-177.1-87.3000111.9P613 I616 L641 K642 K647 T648 Q649 H654 F656 A659 M660P613-W645 HydrophobicContact CB-CE3 4.25Å; P613-W645 HydrophobicContact CB-CH2 3.78Å; P613-W645 HydrophobicContact CB-CZ3 3.56Å; P613-W645 WeakPolarHBondContact O-CZ3 3.49Å; I616-W645 HydrophobicContact CB-CE3 4.17Å; I616-W645 HydrophobicContact CD1-CB 4.33Å; I616-W645 HydrophobicContact CD1-CE3 4.36Å; I616-W645 HydrophobicContact CG2-CB 4.44Å; I616-W645 HydrophobicContact CG2-CE3 3.95Å; L641-W645 WeakPolarHBondContact O-CB 3.44Å; L641-W645 PolarHBondContact O-N 3.3Å; K642-W645 WeakPolarHBondContact O-CB 3.43Å; K642-W645 PolarHBondContact O-N 3.14Å; K642-W645 VanDerWaalsContact O-N 3.13Å; W645-K647 VanDerWaalsContact C-N 3.3Å; W645-K647 PolarHBondContact O-N 2.93Å; W645-T648 WeakPolarHBondContact O-CB 3.24Å; W645-T648 PolarHBondContact O-N 3.32Å; W645-T648 PolarHBondContact O-OG1 3.26Å; W645-Q649 VanDerWaalsContact CE2-NE2 3.26Å; W645-H654 PolarHBondContact NE1-O 3.46Å; W645-F656 HydrophobicContact CB-CB 4.43Å; W645-F656 HydrophobicContact CB-CD2 3.75Å; W645-F656 HydrophobicContact CD2-CD2 4.04Å; W645-F656 HydrophobicContact CE3-CD2 4.29Å; W645-F656 HydrophobicContact CG-CB 4.06Å; W645-F656 AromaticContact CG-CD2 3.82Å; W645-F656 HydrophobicContact CG-CD2 3.82Å; W645-F656 HydrophobicContact CG-CG 4.44Å; W645-A659 HydrophobicContact CH2-CB 3.71Å; W645-A659 HydrophobicContact CZ2-CB 3.48Å; W645-A659 VanDerWaalsContact CZ2-CB 3.48Å; W645-M660 HydrophobicContact CE3-CE 3.99Å; W645-M660 HydrophobicContact CH2-CE 4.32Å; W645-M660 HydrophobicContact CZ3-CE 3.71Å
646E87.8Confident80Confident116 Ų11666.3 Ų66.354%0.54236%0.356SS..Hα-helixtrans-61.6-37.9179.3-73172179.200112K642 L644 T648 Q649K642-E646 WeakPolarHBondContact CE-OE1 3.36Å; K642-E646 WeakPolarHBondContact O-CG 3.13Å; K642-E646 PolarHBondContact O-N 3.25Å; L644-E646 PolarHBondContact O-N 3.38Å; E646-T648 PolarHBondContact O-N 2.95Å; E646-Q649 PolarHBondContact O-N 3.3Å
647K85.2Confident80Confident127 Ų12763.1 Ų63.155%0.55234%0.337SS*.Hα-helixtrans-62.4-23.2173-70.7-179.9179.5-175.10113.4I576 A643 L644 W645I576-K647 HydrophobicContact CB-CB 4.38Å; I576-K647 HydrophobicContact CG2-CB 4.24Å; A643-K647 WeakPolarHBondContact O-CG 3.42Å; A643-K647 PolarHBondContact O-N 3.47Å; L644-K647 PolarHBondContact O-N 3.11Å; W645-K647 VanDerWaalsContact C-N 3.3Å; W645-K647 PolarHBondContact O-N 2.93Å
648T82.8Confident80Confident12 Ų1265.5 Ų65.57%0.07435%0.349CS..THydrogen-bonded Turntrans-81.8-13.9-179.568.90000113.8I576 C583 P612 I616 L644 W645 E646I576-T648 HydrophobicContact CD1-CG2 4.01Å; I576-T648 HydrophobicContact CG1-CG2 4.14Å; I576-T648 HydrophobicContact CG2-CG2 4.16Å; C583-T648 PolarHBondContact SG-O 3.24Å; C583-T648 VanDerWaalsContact SG-O 3.38Å; P612-T648 HydrophobicContact CB-CG2 3.44Å; P612-T648 VanDerWaalsContact CB-CG2 3.44Å; P612-T648 HydrophobicContact CG-CG2 4.29Å; I616-T648 HydrophobicContact CD1-CG2 3.93Å; L644-T648 WeakPolarHBondContact O-CG2 3.45Å; L644-T648 PolarHBondContact O-N 3.41Å; W645-T648 WeakPolarHBondContact O-CB 3.24Å; W645-T648 PolarHBondContact O-N 3.32Å; W645-T648 PolarHBondContact O-OG1 3.26Å; E646-T648 PolarHBondContact O-N 2.95Å
649Q72Confident79.9Confident61 Ų6166.5 Ų66.529%0.28536%0.357SS..  trans-91.8124.5-168.4-60.8-55.7-7.900113.9W645 E646 T653W645-Q649 VanDerWaalsContact CE2-NE2 3.26Å; E646-Q649 PolarHBondContact O-N 3.3Å; Q649-T653 WeakPolarHBondContact CB-OG1 3.48Å; Q649-T653 VanDerWaalsContact OE1-CG2 3.31Å; Q649-T653 PolarHBondContact OE1-OG1 3.4Å
650L58.4Low79.8Confident142 Ų14262.8 Ų62.874%0.74334%0.34SS*.  trans-81.5113.7162.2-65.6168.6000107.7G652L650-G652 PolarHBondContact O-N 3.24Å
651K48.4Very low79.7Confident223 Ų22363.8 Ų63.897%0.9734%0.344SS*.SBendtrans-10.4104.4179.9-67.9-177.9177.3-177.80115.4
652G52.7Low79.4Confident86 Ų8670.3 Ų70.389%0.88738%0.375SS*.SBendtrans131.34.6168.500000117.9L650L650-G652 PolarHBondContact O-N 3.24Å
653T61.3Low79.1Confident77 Ų7769.5 Ų69.547%0.47238%0.376SS..PPolyproline II helixtrans-93163-175.113.60000114.3Q649Q649-T653 WeakPolarHBondContact CB-OG1 3.48Å; Q649-T653 VanDerWaalsContact OE1-CG2 3.31Å; Q649-T653 PolarHBondContact OE1-OG1 3.4Å
654H72.1Confident78.9Confident118 Ų11868.5 Ų68.555%0.54637%0.366SS..PPolyproline II helixtrans-54.6141.3-179.1-60.8-77.8000112.9W645W645-H654 PolarHBondContact NE1-O 3.46Å
655S84.2Confident79Confident57 Ų5770.9 Ų70.940%0.39938%0.376SS..PPolyproline II helixtrans-61.5150.7172.861.50000111.3E657 N658 A659S655-E657 VanDerWaalsContact C-N 3.29Å; S655-E657 PolarHBondContact O-N 3.4Å; S655-N658 PolarHBondContact O-N 3.03Å; S655-N658 VanDerWaalsContact O-N 3.15Å; S655-N658 WeakPolarHBondContact OG-CB 3.36Å; S655-N658 VanDerWaalsContact OG-CG 3.32Å; S655-N658 PolarHBondContact OG-ND2 3.03Å; S655-A659 PolarHBondContact O-N 3.03Å
656F86.3Confident79.1Confident6 Ų670.2 Ų70.23%0.02637%0.374CS..Hα-helixtrans-49.6-49.3178.4172.4-91.6000112.1L546 I616 F620 I633 V638 L641 K642 W645 N658 A659 M660L546-F656 HydrophobicContact CD2-CE1 4.27Å; I616-F656 HydrophobicContact CG2-CE2 4.1Å; F620-F656 AromaticContact CD2-CZ 4Å; F620-F656 HydrophobicContact CD2-CZ 4Å; F620-F656 HydrophobicContact CE2-CZ 4.49Å; F620-F656 HydrophobicContact CG-CZ 4.35Å; I633-F656 HydrophobicContact CD1-CD1 3.98Å; I633-F656 HydrophobicContact CD1-CE1 4.33Å; V638-F656 HydrophobicContact CG1-CE1 3.63Å; V638-F656 HydrophobicContact CG1-CZ 4.16Å; L641-F656 HydrophobicContact CB-CE2 4.14Å; L641-F656 HydrophobicContact CB-CZ 4.3Å; K642-F656 HydrophobicContact CB-CD1 4.35Å; K642-F656 HydrophobicContact CB-CG 4.26Å; K642-F656 HydrophobicContact CG-CB 4.18Å; K642-F656 HydrophobicContact CG-CG 4.34Å; W645-F656 HydrophobicContact CB-CB 4.43Å; W645-F656 HydrophobicContact CB-CD2 3.75Å; W645-F656 HydrophobicContact CD2-CD2 4.04Å; W645-F656 HydrophobicContact CE3-CD2 4.29Å; W645-F656 HydrophobicContact CG-CB 4.06Å; W645-F656 AromaticContact CG-CD2 3.82Å; W645-F656 HydrophobicContact CG-CD2 3.82Å; W645-F656 HydrophobicContact CG-CG 4.44Å; F656-N658 PolarHBondContact O-N 3.32Å; F656-A659 PolarHBondContact O-N 3.03Å; F656-M660 HydrophobicContact CD1-CG 4.4Å; F656-M660 HydrophobicContact CD2-CE 3.95Å; F656-M660 HydrophobicContact CD2-CG 4.47Å; F656-M660 HydrophobicContact CE1-CG 4.01Å; F656-M660 HydrophobicContact CE2-CE 3.63Å; F656-M660 HydrophobicContact CE2-CG 4.13Å; F656-M660 HydrophobicContact CE2-SD 4.48Å; F656-M660 HydrophobicContact CZ-CE 4.25Å; F656-M660 HydrophobicContact CZ-CG 3.88Å; F656-M660 WeakPolarHBondContact O-CG 3.31Å; F656-M660 PolarHBondContact O-N 2.95Å
657E87.4Confident79.2Confident49 Ų4970.7 Ų70.723%0.22938%0.376CS..Hα-helixtrans-57.2-48.8178.9178.4179.4-165.900112.1K545 L546 I633 S655 A659 M660 I661K545-E657 VanDerWaalsContact CB-OE1 3.32Å; K545-E657 WeakPolarHBondContact CB-OE1 3.31Å; K545-E657 PolarHBondContact N-OE1 2.96Å; L546-E657 HydrophobicContact CB-CG 4.25Å; I633-E657 HydrophobicContact CD1-CB 4.47Å; S655-E657 VanDerWaalsContact C-N 3.29Å; S655-E657 PolarHBondContact O-N 3.4Å; E657-A659 VanDerWaalsContact C-N 3.31Å; E657-A659 PolarHBondContact O-N 3.32Å; E657-M660 PolarHBondContact O-N 2.9Å; E657-I661 HydrophobicContact CG-CD1 3.64Å; E657-I661 WeakPolarHBondContact O-CB 3.4Å; E657-I661 VanDerWaalsContact O-CG1 3.23Å; E657-I661 WeakPolarHBondContact O-CG1 3.47Å; E657-I661 PolarHBondContact O-N 2.83Å
658N85.8Confident79.5Confident63 Ų6369.8 Ų69.834%0.33737%0.374SS..Hα-helixtrans-64.9-36.6179.8-75-26.7000111.8S655 F656 I661 Q662S655-N658 PolarHBondContact O-N 3.03Å; S655-N658 VanDerWaalsContact O-N 3.15Å; S655-N658 WeakPolarHBondContact OG-CB 3.36Å; S655-N658 VanDerWaalsContact OG-CG 3.32Å; S655-N658 PolarHBondContact OG-ND2 3.03Å; F656-N658 PolarHBondContact O-N 3.32Å; N658-I661 PolarHBondContact O-N 3.35Å; N658-Q662 WeakPolarHBondContact O-CB 3.32Å; N658-Q662 WeakPolarHBondContact O-CG 3.28Å; N658-Q662 PolarHBondContact O-N 3.33Å
659A85.6Confident79.8Confident20 Ų2076.9 Ų76.917%0.16540%0.404CS..Hα-helixtrans-64.8-44.3177.700000112W645 S655 F656 E657 S663W645-A659 HydrophobicContact CH2-CB 3.71Å; W645-A659 HydrophobicContact CZ2-CB 3.48Å; W645-A659 VanDerWaalsContact CZ2-CB 3.48Å; S655-A659 PolarHBondContact O-N 3.03Å; F656-A659 PolarHBondContact O-N 3.03Å; E657-A659 VanDerWaalsContact C-N 3.31Å; E657-A659 PolarHBondContact O-N 3.32Å; A659-S663 PolarHBondContact O-N 3.12Å
660M87.8Confident80.7Confident3 Ų376.4 Ų76.42%0.01540%0.403CS..Hα-helixtrans-70.2-30.6179.3-60.9-57.2147.200112.8L546 H617 F620 W645 F656 E657L546-M660 HydrophobicContact CD1-CB 3.9Å; H617-M660 HydrophobicContact CB-CE 3.95Å; H617-M660 HydrophobicContact CB-SD 4.19Å; H617-M660 PolarHBondContact CD2-SD 3.02Å; F620-M660 HydrophobicContact CB-SD 4.31Å; F620-M660 HydrophobicContact CD1-CB 4.43Å; F620-M660 HydrophobicContact CD1-CG 4.05Å; F620-M660 HydrophobicContact CD1-SD 3.62Å; F620-M660 HydrophobicContact CE1-CB 4.05Å; F620-M660 HydrophobicContact CE1-CG 4.11Å; F620-M660 HydrophobicContact CE1-SD 4.2Å; F620-M660 HydrophobicContact CG-CG 4.45Å; F620-M660 HydrophobicContact CG-SD 4.08Å; W645-M660 HydrophobicContact CE3-CE 3.99Å; W645-M660 HydrophobicContact CH2-CE 4.32Å; W645-M660 HydrophobicContact CZ3-CE 3.71Å; F656-M660 HydrophobicContact CD1-CG 4.4Å; F656-M660 HydrophobicContact CD2-CE 3.95Å; F656-M660 HydrophobicContact CD2-CG 4.47Å; F656-M660 HydrophobicContact CE1-CG 4.01Å; F656-M660 HydrophobicContact CE2-CE 3.63Å; F656-M660 HydrophobicContact CE2-CG 4.13Å; F656-M660 HydrophobicContact CE2-SD 4.48Å; F656-M660 HydrophobicContact CZ-CE 4.25Å; F656-M660 HydrophobicContact CZ-CG 3.88Å; F656-M660 WeakPolarHBondContact O-CG 3.31Å; F656-M660 PolarHBondContact O-N 2.95Å; E657-M660 PolarHBondContact O-N 2.9Å
661I87Confident82.2Confident41 Ų4170.1 Ų70.121%0.2137%0.371CS..Hα-helixtrans-80.3-45.5178.3-64.9169.5000111.8K545 L546 H549 E657 N658 S663K545-I661 HydrophobicContact CB-CD1 3.7Å; L546-I661 HydrophobicContact CD1-CG1 4.12Å; H549-I661 HydrophobicContact CB-CG1 4.19Å; H549-I661 PolarHBondContact CE1-O 2.77Å; E657-I661 HydrophobicContact CG-CD1 3.64Å; E657-I661 WeakPolarHBondContact O-CB 3.4Å; E657-I661 VanDerWaalsContact O-CG1 3.23Å; E657-I661 WeakPolarHBondContact O-CG1 3.47Å; E657-I661 PolarHBondContact O-N 2.83Å; N658-I661 PolarHBondContact O-N 3.35Å; I661-S663 VanDerWaalsContact C-N 3.29Å; I661-S663 PolarHBondContact O-N 3.29Å
662Q84.9Confident84.2Confident136 Ų13662.9 Ų62.964%0.63634%0.342SS*.Hα-helixtrans-65.5-33.1-177.5-75177.7-7.700112.6N658N658-Q662 WeakPolarHBondContact O-CB 3.32Å; N658-Q662 WeakPolarHBondContact O-CG 3.28Å; N658-Q662 PolarHBondContact O-N 3.33Å
663S83.6Confident86Confident41 Ų4163.4 Ų63.429%0.28732%0.322SS..THydrogen-bonded Turntrans-131.185.3177.3-171.30000109.4H617 A659 I661 F665H617-S663 PolarHBondContact CE1-O 3.16Å; H617-S663 PolarHBondContact NE2-O 3Å; A659-S663 PolarHBondContact O-N 3.12Å; I661-S663 VanDerWaalsContact C-N 3.29Å; I661-S663 PolarHBondContact O-N 3.29Å; S663-F665 PolarHBondContact O-N 3.28Å; S663-F665 PolarHBondContact OG-O 3.41Å; S663-F665 VanDerWaalsContact OG-O 3.08Å
664T84.6Confident87.5Confident25 Ų2559.9 Ų59.915%0.15330%0.3CS..SBendtrans-55.2-38.9179.4-45.90000112.1H549 V557 H617 L621H549-T664 PolarHBondContact CE1-OG1 2.94Å; H549-T664 VanDerWaalsContact CE1-OG1 3.23Å; H549-T664 PolarHBondContact NE2-OG1 3.31Å; V557-T664 HydrophobicContact CG2-CG2 4.21Å; H617-T664 PolarHBondContact NE2-O 3.03Å; H617-T664 VanDerWaalsContact NE2-O 3.11Å; L621-T664 WeakPolarHBondContact CD2-O 3.28Å
665F92Very high88.4Confident61 Ų6157.2 Ų57.227%0.26829%0.288SS..SBendtrans-120.9138.2-178.3-55.1-58.7000111.1K556 V557 Y560 L621 S663K556-F665 HydrophobicContact CB-CZ 3.98Å; V557-F665 HydrophobicContact CG2-CE1 3.99Å; V557-F665 HydrophobicContact CG2-CZ 4.22Å; Y560-F665 AromaticContact CD1-CD1 3.53Å; Y560-F665 HydrophobicContact CD1-CD1 3.53Å; Y560-F665 AromaticContact CD1-CE1 3.96Å; Y560-F665 HydrophobicContact CD1-CE1 3.96Å; Y560-F665 HydrophobicContact CD1-CG 4.42Å; Y560-F665 HydrophobicContact CD2-CB 4.49Å; Y560-F665 AromaticContact CD2-CD1 3.91Å; Y560-F665 HydrophobicContact CD2-CD1 3.91Å; Y560-F665 HydrophobicContact CD2-CE1 4.35Å; Y560-F665 HydrophobicContact CD2-CG 4.13Å; Y560-F665 HydrophobicContact CE1-CB 4.34Å; Y560-F665 AromaticContact CE1-CD1 3.83Å; Y560-F665 HydrophobicContact CE1-CD1 3.83Å; Y560-F665 HydrophobicContact CE1-CG 4.44Å; Y560-F665 HydrophobicContact CE2-CB 4.01Å; Y560-F665 HydrophobicContact CE2-CD1 4.18Å; Y560-F665 HydrophobicContact CE2-CG 4.15Å; Y560-F665 AromaticContact CG-CD1 3.54Å; Y560-F665 HydrophobicContact CG-CD1 3.54Å; Y560-F665 AromaticContact CG-CE1 3.75Å; Y560-F665 HydrophobicContact CG-CE1 3.75Å; Y560-F665 HydrophobicContact CG-CG 4.24Å; L621-F665 HydrophobicContact CD1-CD1 4.31Å; S663-F665 PolarHBondContact O-N 3.28Å; S663-F665 PolarHBondContact OG-O 3.41Å; S663-F665 VanDerWaalsContact OG-O 3.08Å
666P91.9Very high88.6Confident10 Ų1059 Ų597%0.06529%0.291CS..  trans-55.9148169.3-25.432.2000112.7Y560 L614 I618 L621 L671Y560-P666 WeakPolarHBondContact OH-CD 3.18Å; Y560-P666 PolarHBondContact OH-O 2.85Å; L614-P666 HydrophobicContact CD1-CB 3.77Å; L614-P666 HydrophobicContact CD1-CG 4.16Å; I618-P666 HydrophobicContact CG1-CG 4.33Å; L621-P666 HydrophobicContact CD1-CG 4.33Å; P666-L671 HydrophobicContact CB-CD2 3.88Å; P666-L671 HydrophobicContact CB-CG 4.17Å; P666-L671 HydrophobicContact CG-CD2 4.32Å
667H89.9Confident88.8Confident127 Ų12761 Ų6159%0.58830%0.3SS*.  trans-67143.5174.7-69.1-58.5000111.4K669 D670 L671H667-K669 PolarHBondContact O-N 3.29Å; H667-D670 IonicContact CD2-OD2 3.76Å; H667-D670 WeakPolarHBondContact O-CB 3.41Å; H667-D670 PolarHBondContact O-N 3.14Å; H667-L671 PolarHBondContact O-N 3.22Å
668Q90.3Very high89Confident107 Ų10758.7 Ų58.750%0.529%0.289SS..Hα-helixtrans-56.1-39.1179.9-172.459.144.600112.6D670 L671 D672Q668-D670 VanDerWaalsContact C-N 3.26Å; Q668-D670 PolarHBondContact O-N 2.97Å; Q668-L671 PolarHBondContact O-N 2.86Å; Q668-D672 PolarHBondContact NE2-OD1 2.86Å; Q668-D672 PolarHBondContact O-N 3.43Å
669K89.9Confident89.2Confident162 Ų16260.1 Ų60.170%0.70429%0.294SS*.Hα-helixtrans-60.3-35.2177-69.4-178.4179.2177.20112.9H667 H673H667-K669 PolarHBondContact O-N 3.29Å; K669-H673 VanDerWaalsContact O-CG 3.23Å; K669-H673 PolarHBondContact O-N 2.91Å; K669-H673 VanDerWaalsContact O-N 3.11Å; K669-H673 PolarHBondContact O-ND1 2.68Å; K669-H673 VanDerWaalsContact O-ND1 3.16Å
670D90.4Very high89.1Confident51 Ų5166 Ų6627%0.27332%0.318SS..Hα-helixtrans-74.7-38.1179.5-66.7-35.5000111L614 H667 Q668 H673 V674L614-D670 HydrophobicContact CD1-CB 4.12Å; L614-D670 HydrophobicContact CD2-CB 3.84Å; H667-D670 IonicContact CD2-OD2 3.76Å; H667-D670 WeakPolarHBondContact O-CB 3.41Å; H667-D670 PolarHBondContact O-N 3.14Å; Q668-D670 VanDerWaalsContact C-N 3.26Å; Q668-D670 PolarHBondContact O-N 2.97Å; D670-H673 WeakPolarHBondContact O-CB 3.46Å; D670-H673 PolarHBondContact O-N 3.32Å; D670-V674 WeakPolarHBondContact O-CG2 3.43Å; D670-V674 PolarHBondContact O-N 3.4Å
671L90.6Very high89.1Confident10 Ų1068.3 Ų68.35%0.05233%0.332CS..Hα-helixtrans-64.5-40.8171.5-63.3-174.1000112.2Y560 M564 I568 I618 P666 H667 Q668 H673 V674 Q675Y560-L671 VanDerWaalsContact OH-CD1 3.28Å; Y560-L671 WeakPolarHBondContact OH-CD1 3.48Å; M564-L671 HydrophobicContact SD-CD2 4.42Å; I568-L671 HydrophobicContact CD1-CB 3.96Å; I568-L671 HydrophobicContact CD1-CD2 3.66Å; I568-L671 HydrophobicContact CD1-CG 4.25Å; I618-L671 HydrophobicContact CD1-CD2 4.01Å; I618-L671 HydrophobicContact CG1-CD2 4.34Å; P666-L671 HydrophobicContact CB-CD2 3.88Å; P666-L671 HydrophobicContact CB-CG 4.17Å; P666-L671 HydrophobicContact CG-CD2 4.32Å; H667-L671 PolarHBondContact O-N 3.22Å; Q668-L671 PolarHBondContact O-N 2.86Å; L671-H673 VanDerWaalsContact C-N 3.28Å; L671-H673 PolarHBondContact O-N 3.4Å; L671-V674 WeakPolarHBondContact O-CB 3.45Å; L671-V674 PolarHBondContact O-N 3.4Å; L671-V674 VanDerWaalsContact O-N 3.15Å; L671-Q675 WeakPolarHBondContact O-CB 3.46Å; L671-Q675 PolarHBondContact O-N 3.11Å
672D90.8Very high89.1Confident70 Ų7067.8 Ų67.837%0.37433%0.328SS..Hα-helixtrans-61.5-38.4175.6-63.4-18.8000110.6Q668 Q675 M676Q668-D672 PolarHBondContact NE2-OD1 2.86Å; Q668-D672 PolarHBondContact O-N 3.43Å; D672-Q675 PolarHBondContact O-N 3Å; D672-M676 WeakPolarHBondContact O-CB 3.49Å; D672-M676 VanDerWaalsContact O-CG 3.31Å; D672-M676 WeakPolarHBondContact O-CG 3.49Å; D672-M676 PolarHBondContact O-N 3.46Å
673H90.1Very high89.4Confident98 Ų9861.3 Ų61.345%0.45430%0.298SS..Hα-helixtrans-65.8-39.9173.3-67.1148.9000112.9K669 D670 L671 M676 H677K669-H673 VanDerWaalsContact O-CG 3.23Å; K669-H673 PolarHBondContact O-N 2.91Å; K669-H673 VanDerWaalsContact O-N 3.11Å; K669-H673 PolarHBondContact O-ND1 2.68Å; K669-H673 VanDerWaalsContact O-ND1 3.16Å; D670-H673 WeakPolarHBondContact O-CB 3.46Å; D670-H673 PolarHBondContact O-N 3.32Å; L671-H673 VanDerWaalsContact C-N 3.28Å; L671-H673 PolarHBondContact O-N 3.4Å; H673-M676 PolarHBondContact O-N 2.83Å; H673-H677 WeakPolarHBondContact O-CB 2.86Å; H673-H677 PolarHBondContact O-N 2.86Å
674V92.6Very high89.8Confident3 Ų362.2 Ų62.22%0.01830%0.296CS..Hα-helixtrans-62.6-45.5174.4167.20000110.6I568 L614 W615 D670 L671 H677 L678I568-V674 HydrophobicContact CD1-CG1 4.2Å; I568-V674 HydrophobicContact CG1-CG1 4.45Å; I568-V674 HydrophobicContact CG2-CG1 4.09Å; L614-V674 HydrophobicContact CD2-CG2 3.43Å; L614-V674 VanDerWaalsContact CD2-CG2 3.43Å; L614-V674 HydrophobicContact CG-CG2 4.25Å; W615-V674 HydrophobicContact CH2-CG1 3.68Å; W615-V674 HydrophobicContact CZ2-CG1 3.45Å; W615-V674 VanDerWaalsContact CZ2-CG1 3.45Å; D670-V674 WeakPolarHBondContact O-CG2 3.43Å; D670-V674 PolarHBondContact O-N 3.4Å; L671-V674 WeakPolarHBondContact O-CB 3.45Å; L671-V674 PolarHBondContact O-N 3.4Å; L671-V674 VanDerWaalsContact O-N 3.15Å; V674-H677 PolarHBondContact O-N 3.34Å; V674-L678 HydrophobicContact CG1-CD1 4.08Å; V674-L678 WeakPolarHBondContact O-CG 3.4Å; V674-L678 PolarHBondContact O-N 2.98Å
675Q91.6Very high90Very high61 Ų6161.4 Ų61.429%0.28529%0.291SS..Hα-helixtrans-62.5-47.1177.5-173179.7-30.600111.3L671 D672 H677 L678 E679 F684L671-Q675 WeakPolarHBondContact O-CB 3.46Å; L671-Q675 PolarHBondContact O-N 3.11Å; D672-Q675 PolarHBondContact O-N 3Å; Q675-H677 VanDerWaalsContact C-N 3.27Å; Q675-H677 PolarHBondContact O-N 3.02Å; Q675-L678 WeakPolarHBondContact O-CB 3.5Å; Q675-L678 PolarHBondContact O-N 3.46Å; Q675-L678 VanDerWaalsContact O-N 3.14Å; Q675-E679 PolarHBondContact NE2-OE1 3.06Å; Q675-E679 VanDerWaalsContact NE2-OE1 3.14Å; Q675-E679 WeakPolarHBondContact O-CG 3.42Å; Q675-E679 PolarHBondContact O-N 3.4Å; Q675-F684 HydrophobicContact CG-CE2 4.36Å; Q675-F684 HydrophobicContact CG-CZ 4.47Å
676M88.4Confident90Very high95 Ų9559.1 Ų59.147%0.46828%0.282SS..Hα-helixtrans-56.6-41.3173.9-79.2-178.753.600111.9D672 H673 E679 E680D672-M676 WeakPolarHBondContact O-CB 3.49Å; D672-M676 VanDerWaalsContact O-CG 3.31Å; D672-M676 WeakPolarHBondContact O-CG 3.49Å; D672-M676 PolarHBondContact O-N 3.46Å; H673-M676 PolarHBondContact O-N 2.83Å; M676-E679 WeakPolarHBondContact O-CB 3.05Å; M676-E679 PolarHBondContact O-N 3.27Å; M676-E680 WeakPolarHBondContact O-CB 3.42Å; M676-E680 VanDerWaalsContact O-CG 3.31Å; M676-E680 WeakPolarHBondContact O-CG 3.32Å; M676-E680 PolarHBondContact O-N 2.86Å
677H90.1Very high90Very high48 Ų4859 Ų5922%0.22228%0.28CS..Hα-helixtrans-66.4-39.1178.4-174.7-148.2000112I608 H673 V674 Q675 E679 E680 V681I608-H677 PolarHBondContact O-CE1 2.65Å; I608-H677 VanDerWaalsContact O-CE1 3.25Å; H673-H677 WeakPolarHBondContact O-CB 2.86Å; H673-H677 PolarHBondContact O-N 2.86Å; V674-H677 PolarHBondContact O-N 3.34Å; Q675-H677 VanDerWaalsContact C-N 3.27Å; Q675-H677 PolarHBondContact O-N 3.02Å; H677-E679 VanDerWaalsContact C-N 3.34Å; H677-E680 PolarHBondContact O-N 2.76Å; H677-V681 WeakPolarHBondContact O-CG2 3.23Å; H677-V681 PolarHBondContact O-N 3.22Å
678L91.5Very high90.2Very high0 Ų053.9 Ų53.90%026%0.262CS..Hα-helixtrans-63.2-38.8172.8-71.9165.4000112.1P569 L607 W615 V674 Q675 V681 R682 F683 F684P569-L678 HydrophobicContact CG-CD1 4Å; P569-L678 HydrophobicContact CG-CD2 4.24Å; L607-L678 HydrophobicContact CD2-CD2 3.79Å; W615-L678 HydrophobicContact CH2-CD1 4.44Å; V674-L678 HydrophobicContact CG1-CD1 4.08Å; V674-L678 WeakPolarHBondContact O-CG 3.4Å; V674-L678 PolarHBondContact O-N 2.98Å; Q675-L678 WeakPolarHBondContact O-CB 3.5Å; Q675-L678 PolarHBondContact O-N 3.46Å; Q675-L678 VanDerWaalsContact O-N 3.14Å; L678-V681 WeakPolarHBondContact O-CG2 3.44Å; L678-R682 PolarHBondContact O-N 2.88Å; L678-R682 VanDerWaalsContact O-N 3.16Å; L678-F683 HydrophobicContact CB-CB 4.2Å; L678-F683 HydrophobicContact CD2-CB 3.87Å; L678-F683 HydrophobicContact CD2-CD1 4.25Å; L678-F683 HydrophobicContact CD2-CD2 4.21Å; L678-F683 HydrophobicContact CD2-CG 3.84Å; L678-F683 WeakPolarHBondContact O-CB 3.31Å; L678-F683 PolarHBondContact O-N 3.06Å; L678-F684 HydrophobicContact CB-CD2 4.44Å; L678-F684 HydrophobicContact CB-CE2 3.61Å; L678-F684 HydrophobicContact CB-CZ 3.79Å; L678-F684 HydrophobicContact CD1-CZ 4.04Å
679E88.6Confident90.3Very high94 Ų9451.3 Ų51.344%0.43925%0.248SC..Hα-helixtrans-64.4-44.3172.6-69.9170-171.400111.4Q675 M676 H677 V681 R682 F684Q675-E679 PolarHBondContact NE2-OE1 3.06Å; Q675-E679 VanDerWaalsContact NE2-OE1 3.14Å; Q675-E679 WeakPolarHBondContact O-CG 3.42Å; Q675-E679 PolarHBondContact O-N 3.4Å; M676-E679 WeakPolarHBondContact O-CB 3.05Å; M676-E679 PolarHBondContact O-N 3.27Å; H677-E679 VanDerWaalsContact C-N 3.34Å; E679-V681 VanDerWaalsContact C-N 3.33Å; E679-V681 PolarHBondContact O-N 2.92Å; E679-R682 WeakPolarHBondContact O-CA 3.48Å; E679-R682 PolarHBondContact O-N 3.43Å; E679-F684 HydrophobicContact CG-CD2 3.79Å; E679-F684 HydrophobicContact CG-CE2 3.76Å
680E85.3Confident90.4Very high142 Ų14244.1 Ų44.166%0.66422%0.218SC*.Hα-helixtrans-61.7-38.1178.4-77.7178.9174.900112.6M676 H677 R682M676-E680 WeakPolarHBondContact O-CB 3.42Å; M676-E680 VanDerWaalsContact O-CG 3.31Å; M676-E680 WeakPolarHBondContact O-CG 3.32Å; M676-E680 PolarHBondContact O-N 2.86Å; H677-E680 PolarHBondContact O-N 2.76Å; E680-R682 VanDerWaalsContact C-N 3.26Å
681V86.1Confident90.3Very high53 Ų5348.1 Ų48.132%0.32124%0.235SC..THydrogen-bonded Turntrans-85.84.3174.9-560000113.4F605 L607 H677 L678 E679 F683F605-V681 HydrophobicContact CE1-CG2 4.24Å; F605-V681 HydrophobicContact CZ-CB 4.36Å; F605-V681 HydrophobicContact CZ-CG2 3.89Å; L607-V681 HydrophobicContact CD1-CB 4.4Å; L607-V681 HydrophobicContact CD1-CG1 3.9Å; L607-V681 HydrophobicContact CD1-CG2 3.8Å; H677-V681 WeakPolarHBondContact O-CG2 3.23Å; H677-V681 PolarHBondContact O-N 3.22Å; L678-V681 WeakPolarHBondContact O-CG2 3.44Å; E679-V681 VanDerWaalsContact C-N 3.33Å; E679-V681 PolarHBondContact O-N 2.92Å; V681-F683 HydrophobicContact CG2-CB 4.19Å; V681-F683 PolarHBondContact O-N 3.27Å
682R87.5Confident90Very high29 Ų2957 Ų5711%0.10928%0.276CS..THydrogen-bonded Turntrans57.434.3178-56.4-70.3-69.7-175.74.2113.3L678 E679 E680 F684 D685 E807L678-R682 PolarHBondContact O-N 2.88Å; L678-R682 VanDerWaalsContact O-N 3.16Å; E679-R682 WeakPolarHBondContact O-CA 3.48Å; E679-R682 PolarHBondContact O-N 3.43Å; E680-R682 VanDerWaalsContact C-N 3.26Å; R682-F684 PolarHBondContact O-N 3.39Å; R682-D685 HydrophobicContact CB-CB 4.48Å; R682-D685 IonicContact CZ-OD1 2.87Å; R682-D685 IonicContact CZ-OD2 3.32Å; R682-D685 VanDerWaalsContact NE-CG 3.34Å; R682-D685 IonicContact NE-OD1 3.93Å; R682-D685 PolarHBondContact NE-OD1 2.95Å; R682-D685 IonicContact NE-OD2 2.72Å; R682-D685 PolarHBondContact NE-OD2 2.61Å; R682-D685 IonicContact NH2-OD1 2.79Å; R682-D685 PolarHBondContact NH2-OD1 3.17Å; R682-D685 IonicContact NH2-OD2 2.93Å; R682-D685 PolarHBondContact NH2-OD2 2.76Å; R682-D685 WeakPolarHBondContact O-CB 3.26Å; R682-D685 PolarHBondContact O-N 3.1Å; R682-E807 IonicContact CZ-OE1 2.75Å; R682-E807 IonicContact CZ-OE2 3.47Å; R682-E807 VanDerWaalsContact NH1-CD 3.29Å; R682-E807 IonicContact NH1-OE1 3.21Å; R682-E807 PolarHBondContact NH1-OE1 3.41Å; R682-E807 IonicContact NH1-OE2 3.2Å; R682-E807 PolarHBondContact NH1-OE2 2.7Å; R682-E807 VanDerWaalsContact NH2-CD 3.32Å; R682-E807 IonicContact NH2-OE1 2.88Å; R682-E807 PolarHBondContact NH2-OE1 2.71Å; R682-E807 IonicContact NH2-OE2 2.9Å; R682-E807 PolarHBondContact NH2-OE2 3.29Å
683F92.3Very high89.6Confident1 Ų156.1 Ų56.10%0.00428%0.279CS..Hα-helixtrans-56.2-43.1176.5177.1-91.5000111.4P569 F589 F605 L678 V681 D685 L686 F687 W696P569-F683 HydrophobicContact CB-CE1 3.76Å; P569-F683 HydrophobicContact CB-CZ 3.61Å; P569-F683 HydrophobicContact CG-CD1 4.09Å; P569-F683 HydrophobicContact CG-CE1 3.45Å; P569-F683 VanDerWaalsContact CG-CE1 3.45Å; P569-F683 HydrophobicContact CG-CE2 4.26Å; P569-F683 HydrophobicContact CG-CZ 3.55Å; F589-F683 HydrophobicContact CB-CE2 3.95Å; F589-F683 HydrophobicContact CD1-CE2 4.16Å; F589-F683 HydrophobicContact CD1-CZ 4.34Å; F589-F683 HydrophobicContact CD2-CE2 4.16Å; F589-F683 AromaticContact CG-CE2 3.84Å; F589-F683 HydrophobicContact CG-CE2 3.84Å; F589-F683 HydrophobicContact CG-CZ 4.42Å; F605-F683 AromaticContact CD1-CD2 3.65Å; F605-F683 HydrophobicContact CD1-CD2 3.65Å; F605-F683 HydrophobicContact CD1-CE2 4.09Å; F605-F683 HydrophobicContact CE1-CB 4.45Å; F605-F683 AromaticContact CE1-CD2 3.69Å; F605-F683 HydrophobicContact CE1-CD2 3.69Å; F605-F683 HydrophobicContact CG-CD2 4.16Å; F605-F683 HydrophobicContact CG-CE2 4.46Å; F605-F683 HydrophobicContact CZ-CB 4.34Å; F605-F683 HydrophobicContact CZ-CD2 4.2Å; L678-F683 HydrophobicContact CB-CB 4.2Å; L678-F683 HydrophobicContact CD2-CB 3.87Å; L678-F683 HydrophobicContact CD2-CD1 4.25Å; L678-F683 HydrophobicContact CD2-CD2 4.21Å; L678-F683 HydrophobicContact CD2-CG 3.84Å; L678-F683 WeakPolarHBondContact O-CB 3.31Å; L678-F683 PolarHBondContact O-N 3.06Å; V681-F683 HydrophobicContact CG2-CB 4.19Å; V681-F683 PolarHBondContact O-N 3.27Å; F683-D685 PolarHBondContact O-N 2.89Å; F683-L686 PolarHBondContact O-N 2.51Å; F683-F687 HydrophobicContact CD1-CB 4.14Å; F683-F687 HydrophobicContact CD2-CD2 4.17Å; F683-F687 HydrophobicContact CE1-CB 3.45Å; F683-F687 VanDerWaalsContact CE1-CB 3.45Å; F683-F687 HydrophobicContact CE1-CD2 4.4Å; F683-F687 HydrophobicContact CE1-CG 4.06Å; F683-F687 HydrophobicContact CE2-CB 4.22Å; F683-F687 AromaticContact CE2-CD2 3.62Å; F683-F687 HydrophobicContact CE2-CD2 3.62Å; F683-F687 HydrophobicContact CE2-CE2 4.11Å; F683-F687 AromaticContact CE2-CG 3.95Å; F683-F687 HydrophobicContact CE2-CG 3.95Å; F683-F687 HydrophobicContact CZ-CB 3.51Å; F683-F687 HydrophobicContact CZ-CD1 4.16Å; F683-F687 AromaticContact CZ-CD2 3.75Å; F683-F687 HydrophobicContact CZ-CD2 3.75Å; F683-F687 HydrophobicContact CZ-CE2 4.5Å; F683-F687 AromaticContact CZ-CG 3.56Å; F683-F687 HydrophobicContact CZ-CG 3.56Å; F683-F687 PolarHBondContact O-N 3.19Å; F683-W696 AromaticContact CE1-CE3 3.95Å; F683-W696 HydrophobicContact CE1-CE3 3.95Å; F683-W696 HydrophobicContact CE1-CZ3 4.15Å
684F91.3Very high89.4Confident59 Ų5953.6 Ų53.626%0.25928%0.28SS..Hα-helixtrans-70.3-10.5-177.3-57.1-59.4000114.6Q675 L678 E679 R682 L686 F687 W696Q675-F684 HydrophobicContact CG-CE2 4.36Å; Q675-F684 HydrophobicContact CG-CZ 4.47Å; L678-F684 HydrophobicContact CB-CD2 4.44Å; L678-F684 HydrophobicContact CB-CE2 3.61Å; L678-F684 HydrophobicContact CB-CZ 3.79Å; L678-F684 HydrophobicContact CD1-CZ 4.04Å; E679-F684 HydrophobicContact CG-CD2 3.79Å; E679-F684 HydrophobicContact CG-CE2 3.76Å; R682-F684 PolarHBondContact O-N 3.39Å; F684-L686 VanDerWaalsContact C-N 3.28Å; F684-F687 WeakPolarHBondContact CA-O 3.49Å; F684-W696 AromaticContact CD1-CH2 3.75Å; F684-W696 HydrophobicContact CD1-CH2 3.75Å; F684-W696 AromaticContact CD1-CZ3 3.69Å; F684-W696 HydrophobicContact CD1-CZ3 3.69Å; F684-W696 AromaticContact CE1-CH2 3.39Å; F684-W696 HydrophobicContact CE1-CH2 3.39Å; F684-W696 HydrophobicContact CE1-CZ2 4.27Å; F684-W696 AromaticContact CE1-CZ3 3.75Å; F684-W696 HydrophobicContact CE1-CZ3 3.75Å
685D88.9Confident89.3Confident9 Ų955.9 Ų55.95%0.04829%0.294CS..Hα-helixtrans-72.1-30.3168.4-69.90.1000111.4R682 F683 Q811 N814R682-D685 HydrophobicContact CB-CB 4.48Å; R682-D685 IonicContact CZ-OD1 2.87Å; R682-D685 IonicContact CZ-OD2 3.32Å; R682-D685 VanDerWaalsContact NE-CG 3.34Å; R682-D685 IonicContact NE-OD1 3.93Å; R682-D685 PolarHBondContact NE-OD1 2.95Å; R682-D685 IonicContact NE-OD2 2.72Å; R682-D685 PolarHBondContact NE-OD2 2.61Å; R682-D685 IonicContact NH2-OD1 2.79Å; R682-D685 PolarHBondContact NH2-OD1 3.17Å; R682-D685 IonicContact NH2-OD2 2.93Å; R682-D685 PolarHBondContact NH2-OD2 2.76Å; R682-D685 WeakPolarHBondContact O-CB 3.26Å; R682-D685 PolarHBondContact O-N 3.1Å; F683-D685 PolarHBondContact O-N 2.89Å; D685-Q811 HydrophobicContact CB-CG 4.26Å; D685-N814 HydrophobicContact CB-CB 4.26Å; D685-N814 PolarHBondContact OD2-ND2 2.79Å
686L91Very high89.4Confident13 Ų1354.5 Ų54.57%0.06829%0.286CS..Hα-helixtrans-105.8-23.8-168.3-61.7172.4000112.4L599 Y600 F605 F683 F684 C698 F699 N814 V815 A818L599-L686 HydrophobicContact CD1-CD2 4.27Å; Y600-L686 HydrophobicContact CE2-CB 4.37Å; Y600-L686 VanDerWaalsContact OH-CD1 3.23Å; Y600-L686 WeakPolarHBondContact OH-CD1 3.38Å; F605-L686 HydrophobicContact CD2-CD1 3.94Å; F605-L686 HydrophobicContact CE2-CD1 3.91Å; F683-L686 PolarHBondContact O-N 2.51Å; F684-L686 VanDerWaalsContact C-N 3.28Å; L686-C698 CarbonylContact O-C 3.54Å; L686-C698 WeakPolarHBondContact O-CA 3.4Å; L686-F699 PolarHBondContact O-N 2.96Å; L686-N814 HydrophobicContact CD2-CB 4.05Å; L686-N814 WeakPolarHBondContact CD2-O 3.44Å; L686-V815 HydrophobicContact CD2-CG2 4.18Å; L686-A818 HydrophobicContact CD2-CB 3.97Å
687F93.9Very high89.6Confident6 Ų650.8 Ų50.83%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-131140.8179.2-76.4-97000111C591 Y600 F605 F683 F684 W696 Q697 C698C591-F687 HydrophobicContact CB-CE1 4.26Å; Y600-F687 HydrophobicContact CD2-CE1 4.39Å; Y600-F687 AromaticContact CD2-CE2 3.54Å; Y600-F687 HydrophobicContact CD2-CE2 3.54Å; Y600-F687 AromaticContact CD2-CZ 3.39Å; Y600-F687 HydrophobicContact CD2-CZ 3.39Å; Y600-F687 HydrophobicContact CE2-CD2 4.11Å; Y600-F687 AromaticContact CE2-CE2 3.21Å; Y600-F687 HydrophobicContact CE2-CE2 3.21Å; Y600-F687 AromaticContact CE2-CZ 3.63Å; Y600-F687 HydrophobicContact CE2-CZ 3.63Å; Y600-F687 HydrophobicContact CG-CE2 4.45Å; Y600-F687 HydrophobicContact CG-CZ 4.11Å; Y600-F687 AromaticContact CZ-CE2 3.9Å; F605-F687 HydrophobicContact CB-CE2 3.79Å; F605-F687 HydrophobicContact CB-CZ 4.43Å; F605-F687 HydrophobicContact CG-CE2 4.46Å; F683-F687 HydrophobicContact CD1-CB 4.14Å; F683-F687 HydrophobicContact CD2-CD2 4.17Å; F683-F687 HydrophobicContact CE1-CB 3.45Å; F683-F687 VanDerWaalsContact CE1-CB 3.45Å; F683-F687 HydrophobicContact CE1-CD2 4.4Å; F683-F687 HydrophobicContact CE1-CG 4.06Å; F683-F687 HydrophobicContact CE2-CB 4.22Å; F683-F687 AromaticContact CE2-CD2 3.62Å; F683-F687 HydrophobicContact CE2-CD2 3.62Å; F683-F687 HydrophobicContact CE2-CE2 4.11Å; F683-F687 AromaticContact CE2-CG 3.95Å; F683-F687 HydrophobicContact CE2-CG 3.95Å; F683-F687 HydrophobicContact CZ-CB 3.51Å; F683-F687 HydrophobicContact CZ-CD1 4.16Å; F683-F687 AromaticContact CZ-CD2 3.75Å; F683-F687 HydrophobicContact CZ-CD2 3.75Å; F683-F687 HydrophobicContact CZ-CE2 4.5Å; F683-F687 AromaticContact CZ-CG 3.56Å; F683-F687 HydrophobicContact CZ-CG 3.56Å; F683-F687 PolarHBondContact O-N 3.19Å; F684-F687 WeakPolarHBondContact CA-O 3.49Å; F687-W696 HydrophobicContact CB-CE3 4.14Å; F687-Q697 WeakPolarHBondContact CA-O 3.33Å; F687-C698 HydrophobicContact CD1-CB 4.41Å; F687-C698 HydrophobicContact CE1-CB 4.21Å; F687-C698 HydrophobicContact CZ-CB 4.42Å
688G92.8Very high89.8Confident20 Ų2048.5 Ų48.521%0.20626%0.257CS..EExtended strand (participates in β ladder)trans-133.4147.7171.800000110.7W696 Q697G688-W696 VanDerWaalsContact C-CE3 3.46Å; G688-Q697 PolarHBondContact N-O 3.29Å; G688-Q697 PolarHBondContact O-N 3.49Å
689Y93.3Very high89.7Confident54 Ų5450 Ų5021%0.21226%0.263CS..EExtended strand (participates in β ladder)trans-73.7127.4172.5-171.5-100000109.5K566 E691 G694 W696K566-Y689 HydrophobicContact CB-CD1 4.5Å; K566-Y689 HydrophobicContact CB-CE1 4.44Å; K566-Y689 HydrophobicContact CG-CD1 4.23Å; K566-Y689 HydrophobicContact CG-CE1 3.71Å; K566-Y689 HydrophobicContact CG-CE2 4.47Å; Y689-E691 HydrophobicContact CD1-CG 4.4Å; Y689-E691 HydrophobicContact CE1-CG 4.45Å; Y689-G694 WeakPolarHBondContact OH-CA 3.43Å; Y689-G694 PolarHBondContact OH-O 3.36Å; Y689-W696 AromaticContact CD2-CD1 3.78Å; Y689-W696 HydrophobicContact CD2-CD2 4.32Å; Y689-W696 AromaticContact CD2-CE2 3.98Å; Y689-W696 HydrophobicContact CD2-CG 4.21Å; Y689-W696 AromaticContact CD2-NE1 3.62Å
690S91.3Very high89.7Confident11 Ų1145.7 Ų45.78%0.07724%0.243CC..EExtended strand (participates in β ladder)trans-95.8113.1172.8177.30000108.3E692 A693 G694 T695 N702S690-E692 PolarHBondContact O-N 3.44Å; S690-A693 PolarHBondContact O-N 3.07Å; S690-A693 PolarHBondContact OG-N 2.91Å; S690-G694 WeakPolarHBondContact O-CA 3.43Å; S690-G694 PolarHBondContact O-N 3.46Å; S690-T695 PolarHBondContact N-O 2.91Å; S690-T695 PolarHBondContact O-N 3.49Å; S690-N702 WeakPolarHBondContact CB-OD1 3.49Å
691E87.7Confident89.9Confident135 Ų13539.6 Ų39.663%0.63122%0.216SC*.THydrogen-bonded Turntrans-63.2-33174.7-66.9-68.3168.500111.3Y689Y689-E691 HydrophobicContact CD1-CG 4.4Å; Y689-E691 HydrophobicContact CE1-CG 4.45Å
692E84.6Confident90.1Very high195 Ų19539.5 Ų39.591%0.91121%0.214SC*.THydrogen-bonded Turntrans-68.7-42.8178.8-63.9176.9-176.100112.1S690S690-E692 PolarHBondContact O-N 3.44Å
693A83.6Confident90Very high53 Ų5340 Ų4044%0.43822%0.218SC..THydrogen-bonded Turntrans-90.5-6.8179.700000113.5S690 T695 Q697S690-A693 PolarHBondContact O-N 3.07Å; S690-A693 PolarHBondContact OG-N 2.91Å; A693-T695 HydrophobicContact CB-CG2 3.93Å; A693-T695 PolarHBondContact O-N 3.32Å; A693-Q697 VanDerWaalsContact CB-NE2 3.26Å
694G85.6Confident89.4Confident45 Ų4544 Ų4446%0.46424%0.244SC..THydrogen-bonded Turntrans58.524.7-175.900000114.1Y689 S690Y689-G694 WeakPolarHBondContact OH-CA 3.43Å; Y689-G694 PolarHBondContact OH-O 3.36Å; S690-G694 WeakPolarHBondContact O-CA 3.43Å; S690-G694 PolarHBondContact O-N 3.46Å
695T89.9Confident88.8Confident51 Ų5148.7 Ų48.731%0.31327%0.267SS..EExtended strand (participates in β ladder)trans-149.5160.1-172.8-166.40000112.7P592 S690 A693 Q697P592-T695 HydrophobicContact CG-CG2 3.83Å; S690-T695 PolarHBondContact N-O 2.91Å; S690-T695 PolarHBondContact O-N 3.49Å; A693-T695 HydrophobicContact CB-CG2 3.93Å; A693-T695 PolarHBondContact O-N 3.32Å; T695-Q697 HydrophobicContact CG2-CG 4.06Å
696W93.5Very high88Confident31 Ų3153.3 Ų53.312%0.11729%0.287CS..EExtended strand (participates in β ladder)trans-75.4129.2173.9-71.785.5000110.5G565 K566 P569 P592 F683 F684 F687 G688 Y689G565-W696 PolarHBondContact O-NE1 3.48Å; K566-W696 WeakPolarHBondContact O-CZ2 3.49Å; P569-W696 HydrophobicContact CB-CD2 4.02Å; P569-W696 HydrophobicContact CB-CG 3.98Å; P592-W696 WeakPolarHBondContact CD-O 3.48Å; P592-W696 WeakPolarHBondContact CG-O 3.44Å; F683-W696 AromaticContact CE1-CE3 3.95Å; F683-W696 HydrophobicContact CE1-CE3 3.95Å; F683-W696 HydrophobicContact CE1-CZ3 4.15Å; F684-W696 AromaticContact CD1-CH2 3.75Å; F684-W696 HydrophobicContact CD1-CH2 3.75Å; F684-W696 AromaticContact CD1-CZ3 3.69Å; F684-W696 HydrophobicContact CD1-CZ3 3.69Å; F684-W696 AromaticContact CE1-CH2 3.39Å; F684-W696 HydrophobicContact CE1-CH2 3.39Å; F684-W696 HydrophobicContact CE1-CZ2 4.27Å; F684-W696 AromaticContact CE1-CZ3 3.75Å; F684-W696 HydrophobicContact CE1-CZ3 3.75Å; F687-W696 HydrophobicContact CB-CE3 4.14Å; G688-W696 VanDerWaalsContact C-CE3 3.46Å; Y689-W696 AromaticContact CD2-CD1 3.78Å; Y689-W696 HydrophobicContact CD2-CD2 4.32Å; Y689-W696 AromaticContact CD2-CE2 3.98Å; Y689-W696 HydrophobicContact CD2-CG 4.21Å; Y689-W696 AromaticContact CD2-NE1 3.62Å
697Q93.6Very high87Confident17 Ų1752.8 Ų52.88%0.07928%0.284CS..EExtended strand (participates in β ladder)trans-128148.9177.7-62.5-176.6-700109.9F687 G688 A693 T695 C701 N702F687-Q697 WeakPolarHBondContact CA-O 3.33Å; G688-Q697 PolarHBondContact N-O 3.29Å; G688-Q697 PolarHBondContact O-N 3.49Å; A693-Q697 VanDerWaalsContact CB-NE2 3.26Å; T695-Q697 HydrophobicContact CG2-CG 4.06Å; Q697-C701 HydrophobicContact CB-CB 4.13Å; Q697-N702 HydrophobicContact CB-CB 4.18Å
698C93.1Very high85.6Confident0 Ų055.3 Ų55.30%030%0.3CS..EExtended strand (participates in β ladder)trans-63.2157174.381.30000110.6C591 C598 L599 Y600 L686 F687 M700 C701 N702C591-C698 HydrophobicContact CB-CB 4.01Å; C591-C698 PolarHBondContact SG-N 3.1Å; C598-C698 VanDerWaalsContact SG-SG 3.62Å; L599-C698 HydrophobicContact CB-CB 4.2Å; L599-C698 HydrophobicContact CD1-CB 4.41Å; L599-C698 HydrophobicContact CG-CB 4.45Å; L599-C698 PolarHBondContact N-SG 3.32Å; L599-C698 VanDerWaalsContact N-SG 3.44Å; Y600-C698 HydrophobicContact CD2-CB 3.89Å; Y600-C698 HydrophobicContact CE2-CB 4.39Å; L686-C698 CarbonylContact O-C 3.54Å; L686-C698 WeakPolarHBondContact O-CA 3.4Å; F687-C698 HydrophobicContact CD1-CB 4.41Å; F687-C698 HydrophobicContact CE1-CB 4.21Å; F687-C698 HydrophobicContact CZ-CB 4.42Å; C698-M700 VanDerWaalsContact C-N 3.26Å; C698-M700 PolarHBondContact O-N 2.81Å; C698-M700 VanDerWaalsContact O-N 3.12Å; C698-C701 PolarHBondContact O-N 3.17Å; C698-C701 VanDerWaalsContact SG-SG 3.64Å; C698-N702 PolarHBondContact O-N 3.41Å
699F90.2Very high84.1Confident33 Ų3357.7 Ų57.715%0.14531%0.31CS..Hα-helixtrans-50.6-43.6-173.8179.8-92.4000113.1L599 L686 N702 N703 K706 V815L599-F699 HydrophobicContact CD1-CB 4.14Å; L686-F699 PolarHBondContact O-N 2.96Å; F699-N702 PolarHBondContact O-N 2.98Å; F699-N703 WeakPolarHBondContact O-CB 3.09Å; F699-N703 PolarHBondContact O-N 3.41Å; F699-N703 PolarHBondContact O-ND2 3.22Å; F699-K706 HydrophobicContact CE1-CD 4.41Å; F699-K706 HydrophobicContact CZ-CD 4.07Å; F699-V815 HydrophobicContact CB-CG2 4.04Å; F699-V815 HydrophobicContact CD1-CG1 4Å; F699-V815 HydrophobicContact CD1-CG2 3.84Å; F699-V815 HydrophobicContact CD2-CG2 4.46Å; F699-V815 HydrophobicContact CE1-CG1 4.49Å; F699-V815 HydrophobicContact CE1-CG2 4.43Å; F699-V815 HydrophobicContact CG-CG2 3.86Å
700M88.3Confident82.5Confident3 Ų356 Ų562%0.01531%0.306CS..Hα-helixtrans-70.4-36.9179.8-65.9-56.6-168.600113.2Y597 L599 C698 N703 A707 V710 V815Y597-M700 WeakPolarHBondContact O-CB 3.25Å; Y597-M700 WeakPolarHBondContact O-CG 3.33Å; L599-M700 HydrophobicContact CD1-CG 4.37Å; L599-M700 HydrophobicContact CD2-CE 4.45Å; L599-M700 HydrophobicContact CD2-CG 3.67Å; L599-M700 HydrophobicContact CG-CB 4.36Å; L599-M700 HydrophobicContact CG-CG 3.81Å; C698-M700 VanDerWaalsContact C-N 3.26Å; C698-M700 PolarHBondContact O-N 2.81Å; C698-M700 VanDerWaalsContact O-N 3.12Å; M700-N703 CarbonylContact O-C 3.59Å; M700-N703 PolarHBondContact O-N 2.84Å; M700-A707 HydrophobicContact CB-CB 3.99Å; M700-A707 HydrophobicContact CG-CB 4.31Å; M700-A707 HydrophobicContact SD-CB 3.67Å; M700-V710 HydrophobicContact CE-CB 3.97Å; M700-V710 HydrophobicContact CE-CG1 3.84Å; M700-V710 HydrophobicContact CE-CG2 3.95Å; M700-V815 HydrophobicContact CE-CG1 3.45Å; M700-V815 VanDerWaalsContact CE-CG1 3.45Å; M700-V815 HydrophobicContact SD-CG1 4.43Å
701C89.3Confident81Confident13 Ų1357 Ų579%0.08831%0.31CS..Hα-helixtrans-69.8-36.9175.7-770000111.7C591 L593 Q697 C698 N703C591-C701 VanDerWaalsContact SG-SG 3.61Å; L593-C701 HydrophobicContact CB-CB 4.23Å; L593-C701 HydrophobicContact CD2-CB 3.78Å; Q697-C701 HydrophobicContact CB-CB 4.13Å; C698-C701 PolarHBondContact O-N 3.17Å; C698-C701 VanDerWaalsContact SG-SG 3.64Å; C701-N703 VanDerWaalsContact C-N 3.27Å; C701-N703 PolarHBondContact O-N 3.41Å
702N89.6Confident79.7Confident51 Ų5155.3 Ų55.327%0.27330%0.302SS..Hα-helixtrans-78.8-11176.5-151.722.3000112.7S690 Q697 C698 F699S690-N702 WeakPolarHBondContact CB-OD1 3.49Å; Q697-N702 HydrophobicContact CB-CB 4.18Å; C698-N702 PolarHBondContact O-N 3.41Å; F699-N702 PolarHBondContact O-N 2.98Å
703N85.9Confident78.4Confident40 Ų4053.7 Ų53.721%0.21430%0.3CS..  trans-13965.7179.8-60.8-106000111F699 M700 C701 E705 K706 A707F699-N703 WeakPolarHBondContact O-CB 3.09Å; F699-N703 PolarHBondContact O-N 3.41Å; F699-N703 PolarHBondContact O-ND2 3.22Å; M700-N703 CarbonylContact O-C 3.59Å; M700-N703 PolarHBondContact O-N 2.84Å; C701-N703 VanDerWaalsContact C-N 3.27Å; C701-N703 PolarHBondContact O-N 3.41Å; N703-E705 VanDerWaalsContact C-N 3.28Å; N703-E705 PolarHBondContact O-N 2.96Å; N703-K706 HydrophobicContact CB-CB 4.09Å; N703-K706 HydrophobicContact CB-CD 3.96Å; N703-K706 HydrophobicContact CB-CG 4.18Å; N703-K706 PolarHBondContact O-N 3.02Å; N703-K706 PolarHBondContact OD1-NZ 3.1Å; N703-A707 PolarHBondContact O-N 3.26Å; N703-A707 VanDerWaalsContact O-N 3.09Å
704P80.3Confident77.1Confident84 Ų8454.8 Ų54.855%0.54532%0.317SS..Hα-helixtrans-61.4-34.2-174.723.9-33.5000113.4K706 A707 T708P704-K706 VanDerWaalsContact C-N 3.32Å; P704-K706 PolarHBondContact O-N 3.1Å; P704-A707 WeakPolarHBondContact O-CB 3.28Å; P704-A707 PolarHBondContact O-N 3.04Å; P704-T708 PolarHBondContact O-N 2.58Å
705E78.1Confident76.2Confident159 Ų15957.4 Ų57.474%0.74332%0.317SS*.Hα-helixtrans-59.5-37.6173.6-70.4-80.6170.800112.9N703 T708N703-E705 VanDerWaalsContact C-N 3.28Å; N703-E705 PolarHBondContact O-N 2.96Å; E705-T708 PolarHBondContact O-OG1 3.14Å
706K72.8Confident75.2Confident106 Ų10657.5 Ų57.546%0.46132%0.318SS..Hα-helixtrans-75.6-37.7175.8-65.1179.4-172.9152.90110.1F699 N703 P704 T708 V709 V710F699-K706 HydrophobicContact CE1-CD 4.41Å; F699-K706 HydrophobicContact CZ-CD 4.07Å; N703-K706 HydrophobicContact CB-CB 4.09Å; N703-K706 HydrophobicContact CB-CD 3.96Å; N703-K706 HydrophobicContact CB-CG 4.18Å; N703-K706 PolarHBondContact O-N 3.02Å; N703-K706 PolarHBondContact OD1-NZ 3.1Å; P704-K706 VanDerWaalsContact C-N 3.32Å; P704-K706 PolarHBondContact O-N 3.1Å; K706-T708 VanDerWaalsContact C-N 3.27Å; K706-T708 PolarHBondContact O-N 3Å; K706-V709 PolarHBondContact O-N 3.07Å; K706-V709 VanDerWaalsContact O-N 3.09Å; K706-V710 WeakPolarHBondContact O-CG2 3.38Å; K706-V710 PolarHBondContact O-N 3.31Å
707A69.4Low74.6Confident1 Ų158.2 Ų58.21%0.00832%0.324CS..Hα-helixtrans-60.7-33.2-177.900000113.3Y597 M700 N703 P704 N711Y597-A707 HydrophobicContact CD2-CB 3.97Å; Y597-A707 HydrophobicContact CG-CB 4.21Å; M700-A707 HydrophobicContact CB-CB 3.99Å; M700-A707 HydrophobicContact CG-CB 4.31Å; M700-A707 HydrophobicContact SD-CB 3.67Å; N703-A707 PolarHBondContact O-N 3.26Å; N703-A707 VanDerWaalsContact O-N 3.09Å; P704-A707 WeakPolarHBondContact O-CB 3.28Å; P704-A707 PolarHBondContact O-N 3.04Å; A707-N711 PolarHBondContact O-N 3.42Å; A707-N711 PolarHBondContact O-ND2 3.15Å
708T64.5Low74.2Confident60 Ų6058.6 Ų58.637%0.36833%0.327SS..Hα-helixtrans-71.2-38.4174.351.90000112.1Y597 P704 E705 K706 Q712Y597-T708 HydrophobicContact CE2-CG2 4.03Å; P704-T708 PolarHBondContact O-N 2.58Å; E705-T708 PolarHBondContact O-OG1 3.14Å; K706-T708 VanDerWaalsContact C-N 3.27Å; K706-T708 PolarHBondContact O-N 3Å; T708-Q712 PolarHBondContact O-N 2.75Å
709V60.8Low74Confident69 Ų6963.6 Ų63.642%0.41835%0.35SS..Hα-helixtrans-69.7-43177.5178.30000111.8K706 N711 Q712K706-V709 PolarHBondContact O-N 3.07Å; K706-V709 VanDerWaalsContact O-N 3.09Å; V709-N711 PolarHBondContact O-N 3.3Å; V709-Q712 PolarHBondContact O-N 3.15Å
710V60.5Low73.9Confident20 Ų2062.7 Ų62.712%0.12135%0.35CS..Hα-helixtrans-62.8-25.9178.8-176.10000112.4M700 K706 L717M700-V710 HydrophobicContact CE-CB 3.97Å; M700-V710 HydrophobicContact CE-CG1 3.84Å; M700-V710 HydrophobicContact CE-CG2 3.95Å; K706-V710 WeakPolarHBondContact O-CG2 3.38Å; K706-V710 PolarHBondContact O-N 3.31Å; V710-L717 HydrophobicContact CB-CD1 4.23Å; V710-L717 HydrophobicContact CG1-CD1 3.93Å; V710-L717 HydrophobicContact CG1-CD2 4.14Å; V710-L717 HydrophobicContact CG1-CG 4.46Å; V710-L717 HydrophobicContact CG2-CD1 3.35Å
711N59.5Low73.9Confident30 Ų3069.7 Ų69.716%0.1638%0.38CS..THydrogen-bonded Turntrans-983.1-178.1-74.4-58.9000114.4Y597 A707 V709 D713 Q819 R823Y597-N711 HydrophobicContact CD1-CB 4.3Å; Y597-N711 WeakPolarHBondContact CD1-ND2 3.28Å; Y597-N711 HydrophobicContact CE1-CB 3.91Å; Y597-N711 WeakPolarHBondContact CE1-ND2 3.23Å; A707-N711 PolarHBondContact O-N 3.42Å; A707-N711 PolarHBondContact O-ND2 3.15Å; V709-N711 PolarHBondContact O-N 3.3Å; N711-D713 PolarHBondContact O-N 3.07Å; N711-Q819 PolarHBondContact ND2-NE2 2.94Å; N711-Q819 PolarHBondContact OD1-NE2 3.48Å; N711-R823 PolarHBondContact OD1-NH2 3.21Å
712Q61.5Low73.9Confident100 Ų10069.1 Ų69.147%0.46738%0.376SS..SBendtrans-76.1112.4168.6-73.9174.12800109T708 V709 G714 Q715T708-Q712 PolarHBondContact O-N 2.75Å; V709-Q712 PolarHBondContact O-N 3.15Å; Q712-G714 PolarHBondContact O-N 3.4Å; Q712-G714 VanDerWaalsContact O-N 3.07Å; Q712-Q715 PolarHBondContact O-N 3.37Å
713D55.6Low73.8Confident162 Ų16271.2 Ų71.287%0.86638%0.383SS*.THydrogen-bonded Turntrans-53.6116.4179.9-75.1-38.8000110.9N711N711-D713 PolarHBondContact O-N 3.07Å
714G56.6Low73.9Confident76 Ų7669.6 Ų69.678%0.78437%0.374SS*.THydrogen-bonded Turntrans107.9-10.5173.500000116.5Q712Q712-G714 PolarHBondContact O-N 3.4Å; Q712-G714 VanDerWaalsContact O-N 3.07Å
715Q66.3Low74Confident100 Ų10068.2 Ų68.247%0.46736%0.359SS..  trans-89.3135.7173.2-73-166.7-0.300112.4Q712Q712-Q715 PolarHBondContact O-N 3.37Å
716P70.8Confident73.6Confident53 Ų5363.3 Ų63.334%0.34434%0.337SS..  trans-75.8129179.431.6-35.2000111.5I718 E719 T741 L742P716-I718 VanDerWaalsContact C-N 3.27Å; P716-I718 PolarHBondContact O-N 2.82Å; P716-E719 HydrophobicContact CB-CB 4.27Å; P716-E719 HydrophobicContact CB-CG 4.48Å; P716-E719 HydrophobicContact CG-CG 4.23Å; P716-T741 HydrophobicContact CB-CG2 3.58Å; P716-L742 CarbonylContact C-O 3.55Å; P716-L742 WeakPolarHBondContact CA-O 3.47Å
717L79.1Confident72.6Confident46 Ų4662.4 Ų62.424%0.24134%0.34CS..SBendtrans-62.4-38.4171.7179.955.8000111.4V710 L742 C812 A816V710-L717 HydrophobicContact CB-CD1 4.23Å; V710-L717 HydrophobicContact CG1-CD1 3.93Å; V710-L717 HydrophobicContact CG1-CD2 4.14Å; V710-L717 HydrophobicContact CG1-CG 4.46Å; V710-L717 HydrophobicContact CG2-CD1 3.35Å; L717-L742 HydrophobicContact CB-CD2 4.25Å; L717-L742 HydrophobicContact CB-CG 4.32Å; L717-L742 HydrophobicContact CD2-CD2 3.82Å; L717-L742 HydrophobicContact CG-CD2 4.24Å; L717-L742 PolarHBondContact N-O 3.46Å; L717-C812 HydrophobicContact CD2-CB 4.08Å; L717-C812 WeakPolarHBondContact CD2-O 3.29Å; L717-C812 HydrophobicContact CG-CB 4.09Å; L717-A816 HydrophobicContact CD2-CB 4.05Å
718I86.6Confident71.4Confident25 Ų2572 Ų7213%0.12838%0.376CS..EExtended strand (participates in β ladder)trans-156.1142.2170.2-176167.5000108.7P716 L742 E808 W809 C812P716-I718 VanDerWaalsContact C-N 3.27Å; P716-I718 PolarHBondContact O-N 2.82Å; I718-L742 HydrophobicContact CG2-CB 3.72Å; I718-L742 HydrophobicContact CG2-CD2 3.79Å; I718-L742 HydrophobicContact CG2-CG 4.41Å; I718-L742 PolarHBondContact O-N 3.49Å; I718-E808 HydrophobicContact CD1-CB 4.23Å; I718-W809 HydrophobicContact CD1-CD2 3.8Å; I718-W809 HydrophobicContact CD1-CE3 4.34Å; I718-W809 HydrophobicContact CD1-CG 3.92Å; I718-W809 HydrophobicContact CD1-CZ2 4.42Å; I718-W809 HydrophobicContact CG1-CD2 4.22Å; I718-W809 HydrophobicContact CG1-CE3 4.48Å; I718-W809 HydrophobicContact CG1-CH2 4.31Å; I718-W809 HydrophobicContact CG1-CZ2 4.05Å; I718-W809 HydrophobicContact CG2-CD2 4.18Å; I718-W809 HydrophobicContact CG2-CE3 3.62Å; I718-W809 HydrophobicContact CG2-CH2 3.98Å; I718-W809 HydrophobicContact CG2-CZ2 4.49Å; I718-W809 HydrophobicContact CG2-CZ3 3.51Å; I718-C812 HydrophobicContact CB-CB 4.27Å; I718-C812 HydrophobicContact CG2-CB 3.63Å
719E87.6Confident70.4Confident104 Ų10472.6 Ų72.649%0.48637%0.371SS..EExtended strand (participates in β ladder)trans-137.1148.6173.161172-159.800111.5P716 Y739 F740P716-E719 HydrophobicContact CB-CB 4.27Å; P716-E719 HydrophobicContact CB-CG 4.48Å; P716-E719 HydrophobicContact CG-CG 4.23Å; E719-Y739 HydrophobicContact CB-CE1 3.9Å; E719-Y739 HydrophobicContact CG-CE1 4.46Å; E719-Y739 VanDerWaalsContact CG-OH 3.29Å; E719-Y739 WeakPolarHBondContact CG-OH 3.3Å; E719-Y739 PolarHBondContact OE1-OH 2.94Å; E719-Y739 PolarHBondContact OE2-OH 2.84Å; E719-F740 CarbonylContact C-O 3.54Å; E719-F740 VanDerWaalsContact CA-O 3.28Å; E719-F740 WeakPolarHBondContact CA-O 3.44Å
720G88.1Confident69.6Low14 Ų1475.6 Ų75.614%0.14438%0.379CS..EExtended strand (participates in β ladder)trans164.3177.2-177.300000114.9F740G720-F740 PolarHBondContact N-O 2.85Å; G720-F740 PolarHBondContact O-N 3.41Å
721K88.9Confident68.7Low150 Ų15079.4 Ų79.465%0.65239%0.394SS*.EExtended strand (participates in β ladder)trans-88.3117.8-178.6-66.5178.4-176.7172.90110.8T737 R738 Y739K721-T737 HydrophobicContact CB-CG2 4.11Å; K721-T737 HydrophobicContact CD-CG2 4.43Å; K721-R738 CarbonylContact C-O 3.59Å; K721-R738 VanDerWaalsContact CA-O 3.29Å; K721-R738 WeakPolarHBondContact CA-O 3.46Å; K721-Y739 HydrophobicContact CG-CD2 3.87Å
722L89.8Confident68Low1 Ų182.2 Ų82.21%0.00541%0.408CS..EExtended strand (participates in β ladder)trans-113.4149.5168.4-63.1171.8000110.2R738 F740 F787 F798 A800 W809L722-R738 PolarHBondContact N-O 2.79Å; L722-R738 PolarHBondContact O-N 3.3Å; L722-R738 VanDerWaalsContact O-O 3.11Å; L722-F740 HydrophobicContact CB-CD2 3.6Å; L722-F740 HydrophobicContact CB-CE2 3.77Å; L722-F740 HydrophobicContact CD1-CB 4.36Å; L722-F740 HydrophobicContact CD1-CD2 4.07Å; L722-F740 HydrophobicContact CD1-CG 4.21Å; L722-F740 HydrophobicContact CG-CD2 4.13Å; L722-F787 HydrophobicContact CD1-CZ 4.05Å; L722-F787 HydrophobicContact CD2-CE1 4.46Å; L722-F798 HydrophobicContact CD1-CB 4.37Å; L722-F798 HydrophobicContact CD1-CG 4.42Å; L722-A800 HydrophobicContact CD2-CB 4.05Å; L722-W809 HydrophobicContact CD1-CD2 3.81Å; L722-W809 HydrophobicContact CD1-CE3 4Å; L722-W809 HydrophobicContact CD1-CG 4.31Å; L722-W809 HydrophobicContact CD1-CH2 4.29Å; L722-W809 HydrophobicContact CD1-CZ2 4.1Å; L722-W809 HydrophobicContact CD1-CZ3 4.22Å; L722-W809 HydrophobicContact CD2-CD2 4.3Å; L722-W809 HydrophobicContact CD2-CG 4.13Å; L722-W809 HydrophobicContact CG-CD2 4.31Å; L722-W809 HydrophobicContact CG-CZ2 4.18Å
723K88.3Confident67.5Low95 Ų9584.2 Ų84.241%0.41342%0.415SS..EExtended strand (participates in β ladder)trans-89.1109.5169.2-69.6-178.1178.3-176.50108.6W735 F798 K799K723-W735 HydrophobicContact CB-CB 4.41Å; K723-W735 HydrophobicContact CB-CD2 4.49Å; K723-W735 HydrophobicContact CB-CE3 3.79Å; K723-W735 HydrophobicContact CD-CB 4.48Å; K723-W735 WeakPolarHBondContact O-CZ3 3.16Å; K723-F798 CarbonylContact O-C 3.56Å; K723-F798 WeakPolarHBondContact O-CA 3.47Å; K723-K799 HydrophobicContact CB-CB 4.1Å; K723-K799 PolarHBondContact N-O 3.25Å; K723-K799 PolarHBondContact O-N 2.94Å
724E86.8Confident68.1Low7 Ų785.2 Ų85.23%0.03341%0.407CS..EExtended strand (participates in β ladder)trans-79.4128170.8-175.1-163.7-170.300109Q726 W735 K736 R738 F740 F798E724-Q726 HydrophobicContact CG-CG 4.47Å; E724-Q726 PolarHBondContact O-N 3.29Å; E724-Q726 PolarHBondContact OE2-NE2 3.34Å; E724-Q726 VanDerWaalsContact OE2-NE2 3.14Å; E724-W735 WeakPolarHBondContact O-CA 3.47Å; E724-K736 PolarHBondContact N-O 3.32Å; E724-K736 PolarHBondContact O-N 3.35Å; E724-R738 WeakPolarHBondContact OE2-CD 3.17Å; E724-R738 IonicContact OE2-CZ 3.8Å; E724-R738 IonicContact OE2-NE 3.64Å; E724-R738 PolarHBondContact OE2-NE 2.85Å; E724-R738 IonicContact OE2-NH2 3.65Å; E724-F740 HydrophobicContact CB-CZ 4.24Å; E724-F798 HydrophobicContact CB-CD1 4.14Å; E724-F798 HydrophobicContact CB-CE1 4.05Å; E724-F798 HydrophobicContact CG-CD1 4.33Å; E724-F798 HydrophobicContact CG-CE1 3.89Å
725K82.3Confident69.2Low54 Ų5486.8 Ų86.824%0.23539%0.389CS..EExtended strand (participates in β ladder)trans-77103.4167.9-169.2-176176.6-1730107.8V727 W735 V797K725-V727 HydrophobicContact CD-CG2 4.34Å; K725-V727 HydrophobicContact CG-CG2 4.27Å; K725-V727 PolarHBondContact O-N 2.89Å; K725-V727 VanDerWaalsContact O-N 3.15Å; K725-W735 HydrophobicContact CB-CE3 3.94Å; K725-W735 HydrophobicContact CB-CH2 3.99Å; K725-W735 HydrophobicContact CB-CZ3 3.66Å; K725-W735 HydrophobicContact CD-CH2 4.36Å; K725-W735 HydrophobicContact CG-CH2 4.38Å; K725-W735 HydrophobicContact CG-CZ2 4.49Å; K725-W735 HydrophobicContact CG-CZ3 4.44Å; K725-V797 HydrophobicContact CB-CB 3.83Å; K725-V797 HydrophobicContact CB-CG1 4.23Å; K725-V797 WeakPolarHBondContact CB-O 3.29Å; K725-V797 HydrophobicContact CD-CB 3.93Å; K725-V797 HydrophobicContact CD-CG1 3.98Å; K725-V797 HydrophobicContact CD-CG2 4.24Å; K725-V797 PolarHBondContact N-O 2.72Å
726Q69.1Low69.8Low57 Ų5785.8 Ų85.827%0.26638%0.383SS..EExtended strand (participates in β ladder)trans-79.6103171.7-63.9-143.2-42.800108.5E724 R728 R734 K736E724-Q726 HydrophobicContact CG-CG 4.47Å; E724-Q726 PolarHBondContact O-N 3.29Å; E724-Q726 PolarHBondContact OE2-NE2 3.34Å; E724-Q726 VanDerWaalsContact OE2-NE2 3.14Å; Q726-R728 PolarHBondContact O-N 3.45Å; Q726-R728 VanDerWaalsContact O-N 3.15Å; Q726-R734 PolarHBondContact N-O 2.72Å; Q726-K736 HydrophobicContact CG-CB 4.17Å
727V53.3Low70.6Confident87 Ų8787.1 Ų87.153%0.52739%0.39SS..EExtended strand (participates in β ladder)trans-83.878.6164.1-171.30000106K725 W729K725-V727 HydrophobicContact CD-CG2 4.34Å; K725-V727 HydrophobicContact CG-CG2 4.27Å; K725-V727 PolarHBondContact O-N 2.89Å; K725-V727 VanDerWaalsContact O-N 3.15Å; V727-W729 WeakPolarHBondContact CG1-O 3.23Å
728R43.4Very low70.8Confident203 Ų20385.8 Ų85.877%0.76638%0.382SS*.SBendtrans-73.2-28.1168.4-141.1175.3-174.6-172.2-0.1109.8Q726Q726-R728 PolarHBondContact O-N 3.45Å; Q726-R728 VanDerWaalsContact O-N 3.15Å
729W44Very low70.8Confident71 Ų7189.6 Ų89.627%0.26940%0.396SS..SBendtrans-148.7151.3177.7-59.3105.6000109.5G18 F21 V727 F731G18-W729 WeakPolarHBondContact O-CH2 3.44Å; F21-W729 HydrophobicContact CB-CH2 4.5Å; F21-W729 HydrophobicContact CD1-CZ3 4.28Å; F21-W729 HydrophobicContact CD2-CE3 4.44Å; F21-W729 AromaticContact CD2-CH2 3.54Å; F21-W729 HydrophobicContact CD2-CH2 3.54Å; F21-W729 AromaticContact CD2-CZ3 3.22Å; F21-W729 HydrophobicContact CD2-CZ3 3.22Å; F21-W729 HydrophobicContact CE1-CZ3 4.29Å; F21-W729 HydrophobicContact CE2-CE3 4.15Å; F21-W729 AromaticContact CE2-CH2 3.99Å; F21-W729 HydrophobicContact CE2-CH2 3.99Å; F21-W729 AromaticContact CE2-CZ3 3.27Å; F21-W729 HydrophobicContact CE2-CZ3 3.27Å; F21-W729 HydrophobicContact CG-CH2 4.1Å; F21-W729 AromaticContact CG-CZ3 3.77Å; F21-W729 HydrophobicContact CG-CZ3 3.77Å; F21-W729 HydrophobicContact CZ-CE3 4.41Å; F21-W729 AromaticContact CZ-CZ3 3.81Å; F21-W729 HydrophobicContact CZ-CZ3 3.81Å; V727-W729 WeakPolarHBondContact CG1-O 3.23Å; W729-F731 PolarHBondContact O-N 2.78Å
730K44.3Very low70.8Confident132 Ų13284.7 Ų84.757%0.57437%0.373SS*.SBendtrans-60-16.3-177.8-78.4-179.3178.9172.50114.4T63T63-K730 HydrophobicContact CG2-CD 4.42Å
731F41.8Very low70.8Confident100 Ų10085.7 Ų85.744%0.43938%0.376SS..SBendtrans-118.9-19.4-171.7-47.1-78.2000114.7E59 T63 W729 K733E59-F731 HydrophobicContact CG-CD2 4Å; E59-F731 HydrophobicContact CG-CE2 4.01Å; E59-F731 VanDerWaalsContact OE1-CB 3.29Å; E59-F731 WeakPolarHBondContact OE1-CB 3.18Å; E59-F731 VanDerWaalsContact OE1-CD1 3.28Å; E59-F731 WeakPolarHBondContact OE1-CD1 3.41Å; E59-F731 WeakPolarHBondContact OE1-CD2 3.3Å; E59-F731 WeakPolarHBondContact OE1-CG 3.37Å; T63-F731 WeakPolarHBondContact OG1-CE2 2.98Å; W729-F731 PolarHBondContact O-N 2.78Å; F731-K733 PolarHBondContact O-N 3.29Å
732I43.3Very low70.7Confident90 Ų9078.6 Ų78.646%0.46235%0.345SS..  trans-97.190.6171.9-58173.6000109.4R734I732-R734 HydrophobicContact CG2-CG 3.89Å; I732-R734 PolarHBondContact O-N 2.79Å
733K52.5Low70.2Confident141 Ų14179.5 Ų79.561%0.61335%0.353SS*.EExtended strand (participates in β ladder)trans-82.997.2173.8-65171.7-172.3165.80109.2F731F731-K733 PolarHBondContact O-N 3.29Å
734R67.3Low69.7Low184 Ų18476.8 Ų76.869%0.69435%0.352SS*.EExtended strand (participates in β ladder)trans-107126.1171.4-75.5179.5-175-179.53.2110.7Q726 I732Q726-R734 PolarHBondContact N-O 2.72Å; I732-R734 HydrophobicContact CG2-CG 3.89Å; I732-R734 PolarHBondContact O-N 2.79Å
735W79.1Confident69.2Low108 Ų10879.2 Ų79.241%0.40937%0.365SS..EExtended strand (participates in β ladder)trans-85.1120.6171.8-67.398.8000109.2K723 E724 K725 V797 K799K723-W735 HydrophobicContact CB-CB 4.41Å; K723-W735 HydrophobicContact CB-CD2 4.49Å; K723-W735 HydrophobicContact CB-CE3 3.79Å; K723-W735 HydrophobicContact CD-CB 4.48Å; K723-W735 WeakPolarHBondContact O-CZ3 3.16Å; E724-W735 WeakPolarHBondContact O-CA 3.47Å; K725-W735 HydrophobicContact CB-CE3 3.94Å; K725-W735 HydrophobicContact CB-CH2 3.99Å; K725-W735 HydrophobicContact CB-CZ3 3.66Å; K725-W735 HydrophobicContact CD-CH2 4.36Å; K725-W735 HydrophobicContact CG-CH2 4.38Å; K725-W735 HydrophobicContact CG-CZ2 4.49Å; K725-W735 HydrophobicContact CG-CZ3 4.44Å; W735-V797 HydrophobicContact CH2-CG1 4.31Å; W735-K799 HydrophobicContact CE3-CB 4.01Å; W735-K799 HydrophobicContact CH2-CB 3.75Å; W735-K799 HydrophobicContact CH2-CD 4.24Å; W735-K799 HydrophobicContact CZ2-CD 4.3Å; W735-K799 HydrophobicContact CZ3-CB 3.41Å; W735-K799 VanDerWaalsContact CZ3-CB 3.41Å; W735-K799 HydrophobicContact CZ3-CD 4.42Å
736K80.8Confident69.3Low80 Ų8080 Ų8035%0.34837%0.37SS..EExtended strand (participates in β ladder)trans-108.2118.2173.6-169.4167175.9179.50109E724 Q726 R738E724-K736 PolarHBondContact N-O 3.32Å; E724-K736 PolarHBondContact O-N 3.35Å; Q726-K736 HydrophobicContact CG-CB 4.17Å; K736-R738 HydrophobicContact CG-CG 4.22Å; K736-R738 PolarHBondContact O-N 3.14Å
737T85.9Confident70.2Confident80 Ų8077.3 Ų77.349%0.49136%0.357SS..EExtended strand (participates in β ladder)trans-70.7125.2171.7-51.20000108.7K721K721-T737 HydrophobicContact CB-CG2 4.11Å; K721-T737 HydrophobicContact CD-CG2 4.43Å
738R84.3Confident71.6Confident19 Ų1976.1 Ų76.17%0.07235%0.347CS..EExtended strand (participates in β ladder)trans-133157.4174.9-59.5177.9177.8-8710109.5K721 L722 E724 K736 F740 R750K721-R738 CarbonylContact C-O 3.59Å; K721-R738 VanDerWaalsContact CA-O 3.29Å; K721-R738 WeakPolarHBondContact CA-O 3.46Å; L722-R738 PolarHBondContact N-O 2.79Å; L722-R738 PolarHBondContact O-N 3.3Å; L722-R738 VanDerWaalsContact O-O 3.11Å; E724-R738 WeakPolarHBondContact OE2-CD 3.17Å; E724-R738 IonicContact OE2-CZ 3.8Å; E724-R738 IonicContact OE2-NE 3.64Å; E724-R738 PolarHBondContact OE2-NE 2.85Å; E724-R738 IonicContact OE2-NH2 3.65Å; K736-R738 HydrophobicContact CG-CG 4.22Å; K736-R738 PolarHBondContact O-N 3.14Å; R738-F740 HydrophobicContact CB-CD2 4.19Å; R738-F740 HydrophobicContact CB-CE2 3.56Å; R738-F740 HydrophobicContact CB-CZ 4.05Å; R738-R750 PolarHBondContact NH1-O 3.21Å
739Y86Confident73.4Confident105 Ų10567.2 Ų67.241%0.41231%0.314SS..EExtended strand (participates in β ladder)trans-91.3125.7171.6-161.6-86.8000108E719 K721E719-Y739 HydrophobicContact CB-CE1 3.9Å; E719-Y739 HydrophobicContact CG-CE1 4.46Å; E719-Y739 VanDerWaalsContact CG-OH 3.29Å; E719-Y739 WeakPolarHBondContact CG-OH 3.3Å; E719-Y739 PolarHBondContact OE1-OH 2.94Å; E719-Y739 PolarHBondContact OE2-OH 2.84Å; K721-Y739 HydrophobicContact CG-CD2 3.87Å
740F87.7Confident74.5Confident0 Ų073.8 Ų73.80%034%0.339CS..EExtended strand (participates in β ladder)trans-114.6144.5179.8-71.3-95.4000109.4E719 G720 L722 E724 R738 L747 L748 F749 F798 W809E719-F740 CarbonylContact C-O 3.54Å; E719-F740 VanDerWaalsContact CA-O 3.28Å; E719-F740 WeakPolarHBondContact CA-O 3.44Å; G720-F740 PolarHBondContact N-O 2.85Å; G720-F740 PolarHBondContact O-N 3.41Å; L722-F740 HydrophobicContact CB-CD2 3.6Å; L722-F740 HydrophobicContact CB-CE2 3.77Å; L722-F740 HydrophobicContact CD1-CB 4.36Å; L722-F740 HydrophobicContact CD1-CD2 4.07Å; L722-F740 HydrophobicContact CD1-CG 4.21Å; L722-F740 HydrophobicContact CG-CD2 4.13Å; E724-F740 HydrophobicContact CB-CZ 4.24Å; R738-F740 HydrophobicContact CB-CD2 4.19Å; R738-F740 HydrophobicContact CB-CE2 3.56Å; R738-F740 HydrophobicContact CB-CZ 4.05Å; F740-L747 HydrophobicContact CB-CD1 4.14Å; F740-L747 HydrophobicContact CD1-CD1 4.23Å; F740-L747 HydrophobicContact CD1-CD2 4.39Å; F740-L747 HydrophobicContact CD1-CG 4.14Å; F740-L748 CarbonylContact C-O 3.6Å; F740-L748 VanDerWaalsContact CA-O 3.29Å; F740-L748 WeakPolarHBondContact CA-O 3.35Å; F740-F749 HydrophobicContact CD1-CB 3.51Å; F740-F749 HydrophobicContact CD1-CD1 4.19Å; F740-F749 HydrophobicContact CD1-CG 4.12Å; F740-F749 HydrophobicContact CE1-CB 3.42Å; F740-F749 VanDerWaalsContact CE1-CB 3.42Å; F740-F749 AromaticContact CE1-CD1 3.62Å; F740-F749 HydrophobicContact CE1-CD1 3.62Å; F740-F749 HydrophobicContact CE1-CD2 4.42Å; F740-F749 AromaticContact CE1-CG 3.56Å; F740-F749 HydrophobicContact CE1-CG 3.56Å; F740-F749 HydrophobicContact CG-CB 4.1Å; F740-F749 HydrophobicContact CZ-CB 3.99Å; F740-F749 HydrophobicContact CZ-CD1 4.49Å; F740-F749 HydrophobicContact CZ-CG 4.11Å; F740-F798 HydrophobicContact CD1-CE1 4.49Å; F740-F798 HydrophobicContact CE1-CD1 4.4Å; F740-F798 AromaticContact CE1-CE1 3.56Å; F740-F798 HydrophobicContact CE1-CE1 3.56Å; F740-F798 AromaticContact CE1-CZ 3.92Å; F740-F798 HydrophobicContact CE1-CZ 3.92Å; F740-F798 HydrophobicContact CE2-CD1 4.28Å; F740-F798 HydrophobicContact CE2-CE1 4.12Å; F740-F798 AromaticContact CZ-CD1 3.94Å; F740-F798 HydrophobicContact CZ-CD1 3.94Å; F740-F798 AromaticContact CZ-CE1 3.34Å; F740-F798 HydrophobicContact CZ-CE1 3.34Å; F740-F798 HydrophobicContact CZ-CZ 4.18Å; F740-W809 HydrophobicContact CB-CH2 3.73Å; F740-W809 HydrophobicContact CB-CZ2 4.36Å; F740-W809 HydrophobicContact CB-CZ3 4.34Å
741T87.6Confident75.1Confident35 Ų3571.9 Ų71.922%0.21533%0.33CS..EExtended strand (participates in β ladder)trans-133115.5177.4-63.20000107.7P716 A743 L748P716-T741 HydrophobicContact CB-CG2 3.58Å; T741-A743 HydrophobicContact CG2-CB 4.34Å; T741-L748 PolarHBondContact N-O 2.98Å; T741-L748 PolarHBondContact O-N 3.26Å
742L86.5Confident75.4Confident1 Ų169.3 Ų69.31%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-90.4112.1172.9-176.467.9000108P716 L717 I718 L747 L765 W809 C812 I813 A816P716-L742 CarbonylContact C-O 3.55Å; P716-L742 WeakPolarHBondContact CA-O 3.47Å; L717-L742 HydrophobicContact CB-CD2 4.25Å; L717-L742 HydrophobicContact CB-CG 4.32Å; L717-L742 HydrophobicContact CD2-CD2 3.82Å; L717-L742 HydrophobicContact CG-CD2 4.24Å; L717-L742 PolarHBondContact N-O 3.46Å; I718-L742 HydrophobicContact CG2-CB 3.72Å; I718-L742 HydrophobicContact CG2-CD2 3.79Å; I718-L742 HydrophobicContact CG2-CG 4.41Å; I718-L742 PolarHBondContact O-N 3.49Å; L742-L747 HydrophobicContact CB-CD1 4.01Å; L742-L747 HydrophobicContact CD1-CB 4Å; L742-L747 HydrophobicContact CD1-CD1 4.12Å; L742-L765 HydrophobicContact CD1-CD1 3.63Å; L742-L765 HydrophobicContact CD1-CD2 4.01Å; L742-L765 HydrophobicContact CD1-CG 4.37Å; L742-W809 HydrophobicContact CB-CZ3 4.25Å; L742-C812 HydrophobicContact CD2-CB 3.88Å; L742-I813 HydrophobicContact CD2-CG1 4.06Å; L742-A816 HydrophobicContact CD1-CB 4.31Å; L742-A816 HydrophobicContact CD2-CB 4.07Å; L742-A816 HydrophobicContact CG-CB 4.4Å
743A81.1Confident75.3Confident21 Ų2174.4 Ų74.417%0.17435%0.351CS..EExtended strand (participates in β ladder)trans-142.8131.1-179.400000110.3T741 N745 Q746T741-A743 HydrophobicContact CG2-CB 4.34Å; A743-N745 PolarHBondContact O-N 2.97Å; A743-Q746 PolarHBondContact N-O 3.32Å; A743-Q746 PolarHBondContact O-N 2.96Å; A743-Q746 VanDerWaalsContact O-N 3.1Å; A743-Q746 VanDerWaalsContact O-O 3.05Å
744G76.1Confident74.7Confident37 Ų3772.2 Ų72.238%0.38135%0.354SS..THydrogen-bonded Turntrans54.3-124.3-177.900000112.7
745N77.5Confident73.5Confident58 Ų5873.2 Ų73.231%0.3136%0.363SS..THydrogen-bonded Turntrans-9415.6-178.9-167.117.2000113.6A743 L765 S766 A820A743-N745 PolarHBondContact O-N 2.97Å; N745-L765 PolarHBondContact O-N 2.77Å; N745-L765 WeakPolarHBondContact OD1-CB 3.5Å; N745-S766 PolarHBondContact OD1-N 3.47Å; N745-A820 WeakPolarHBondContact OD1-CB 3.07Å
746Q84.5Confident71.7Confident72 Ų7275.4 Ų75.434%0.33638%0.383SS..EExtended strand (participates in β ladder)trans-138.2141.5-173-64.6-177.2-3.900112.7A743 L748 P762 I763A743-Q746 PolarHBondContact N-O 3.32Å; A743-Q746 PolarHBondContact O-N 2.96Å; A743-Q746 VanDerWaalsContact O-N 3.1Å; A743-Q746 VanDerWaalsContact O-O 3.05Å; Q746-L748 HydrophobicContact CB-CD2 4.44Å; Q746-L748 HydrophobicContact CB-CG 4.35Å; Q746-P762 HydrophobicContact CB-CB 3.95Å; Q746-P762 HydrophobicContact CG-CB 3.93Å; Q746-I763 WeakPolarHBondContact CA-O 3.25Å
747L86.5Confident69.6Low0 Ų077.1 Ų77.10%040%0.396CS..EExtended strand (participates in β ladder)trans-101.3105.3163.7176.767.6000108.6F740 L742 I763 L765 I789 F798 W809F740-L747 HydrophobicContact CB-CD1 4.14Å; F740-L747 HydrophobicContact CD1-CD1 4.23Å; F740-L747 HydrophobicContact CD1-CD2 4.39Å; F740-L747 HydrophobicContact CD1-CG 4.14Å; L742-L747 HydrophobicContact CB-CD1 4.01Å; L742-L747 HydrophobicContact CD1-CB 4Å; L742-L747 HydrophobicContact CD1-CD1 4.12Å; L747-I763 HydrophobicContact CB-CB 4.15Å; L747-I763 HydrophobicContact CD2-CD1 4.11Å; L747-I763 PolarHBondContact N-O 3.35Å; L747-I763 PolarHBondContact O-N 2.96Å; L747-L765 HydrophobicContact CB-CD2 4.21Å; L747-I789 HydrophobicContact CD2-CD1 3.86Å; L747-F798 HydrophobicContact CD2-CE2 4.43Å; L747-W809 HydrophobicContact CD1-CZ3 3.86Å
748L83.8Confident67.6Low62 Ų6279 Ų7933%0.32541%0.409SS..EExtended strand (participates in β ladder)trans-91.5142.9-174-64.4163.5000111.1F740 T741 Q746 P762F740-L748 CarbonylContact C-O 3.6Å; F740-L748 VanDerWaalsContact CA-O 3.29Å; F740-L748 WeakPolarHBondContact CA-O 3.35Å; T741-L748 PolarHBondContact N-O 2.98Å; T741-L748 PolarHBondContact O-N 3.26Å; Q746-L748 HydrophobicContact CB-CD2 4.44Å; Q746-L748 HydrophobicContact CB-CG 4.35Å; L748-P762 HydrophobicContact CD2-CB 3.9Å
749F81.7Confident65.8Low16 Ų1682.8 Ų82.87%0.0743%0.431CS..EExtended strand (participates in β ladder)trans-152.2137.7169.968.8-85.1000112.1F740 K751 I763F740-F749 HydrophobicContact CD1-CB 3.51Å; F740-F749 HydrophobicContact CD1-CD1 4.19Å; F740-F749 HydrophobicContact CD1-CG 4.12Å; F740-F749 HydrophobicContact CE1-CB 3.42Å; F740-F749 VanDerWaalsContact CE1-CB 3.42Å; F740-F749 AromaticContact CE1-CD1 3.62Å; F740-F749 HydrophobicContact CE1-CD1 3.62Å; F740-F749 HydrophobicContact CE1-CD2 4.42Å; F740-F749 AromaticContact CE1-CG 3.56Å; F740-F749 HydrophobicContact CE1-CG 3.56Å; F740-F749 HydrophobicContact CG-CB 4.1Å; F740-F749 HydrophobicContact CZ-CB 3.99Å; F740-F749 HydrophobicContact CZ-CD1 4.49Å; F740-F749 HydrophobicContact CZ-CG 4.11Å; F749-K751 HydrophobicContact CD2-CG 4.45Å; F749-K751 HydrophobicContact CE2-CG 3.84Å; F749-I763 HydrophobicContact CE1-CD1 4.49Å; F749-I763 HydrophobicContact CE1-CG1 4.48Å
750R66.1Low64.2Low208 Ų20882.6 Ų82.679%0.78544%0.437SS*.  trans-79.8125.8179.6-169.8173.8-74.1160.1-2.1111.6R738 G752R738-R750 PolarHBondContact NH1-O 3.21Å; R750-G752 PolarHBondContact O-N 3.19Å
751K58Low62.9Low92 Ų9285 Ų8540%0.445%0.454SS..  trans-78.794.6168-74.4178-164.7149.30110.7F749 K753 D759 C761F749-K751 HydrophobicContact CD2-CG 4.45Å; F749-K751 HydrophobicContact CE2-CG 3.84Å; K751-K753 PolarHBondContact O-N 3.33Å; K751-D759 PolarHBondContact NZ-O 3.35Å; K751-C761 PolarHBondContact NZ-SG 3.47Å
752G47.7Very low62.4Low47 Ų4785.2 Ų85.249%0.48546%0.456SS..  trans-63.998.6173.800000112.6R750R750-G752 PolarHBondContact O-N 3.19Å
753K40.8Very low62.3Low196 Ų19685.4 Ų85.485%0.85246%0.456SS*.SBend177.1137.8126.1-90.5-175.9-177.3-1690110.1K751K751-K753 PolarHBondContact O-N 3.33Å
754S39.4Very low62.5Low95 Ų9587.6 Ų87.666%0.66446%0.463SS*.  trans86.7140.6-176.894.60000115.4D756S754-D756 VanDerWaalsContact C-N 3.34Å
755K41.5Very low63Low206 Ų20685.8 Ų85.890%0.89645%0.445SS*.SBendtrans-92.35-170.4-137.3-176.7-178.8-172.50112.1
756D42.3Very low63.2Low153 Ų15383.9 Ų83.982%0.81844%0.436SS*.SBendtrans-142.135.5-169.6-69.1-50.2000113.4S754S754-D756 VanDerWaalsContact C-N 3.34Å
757D37.7Very low63.3Low116 Ų11684.8 Ų84.862%0.6244%0.439SS*.  trans-128.8103.3175.7-153.89.8000110.3D759D757-D759 PolarHBondContact O-N 2.99Å
758P43.8Very low63.3Low119 Ų11984.9 Ų84.977%0.77344%0.44SS*.  trans-83.742.5-17636.2-34.8000112.2D760P758-D760 PolarHBondContact O-N 2.97Å
759D45.6Very low63.2Low99 Ų9986.9 Ų86.953%0.52945%0.447SS..  trans-105.154.5-179.6-119.720.3000111.3K751 D757 C761K751-D759 PolarHBondContact NZ-O 3.35Å; D757-D759 PolarHBondContact O-N 2.99Å; D759-C761 PolarHBondContact O-N 2.89Å; D759-C761 VanDerWaalsContact O-N 3.12Å
760D52.3Low63.3Low101 Ų10187.9 Ų87.954%0.5446%0.456SS..  trans-63.398.5154.8-74.4-31.7000106.4P758 P762P758-D760 PolarHBondContact O-N 2.97Å; D760-P762 VanDerWaalsContact C-CD 3.48Å; D760-P762 WeakPolarHBondContact O-CD 3.49Å
761C61.2Low64.3Low52 Ų5278.9 Ų78.935%0.35142%0.424SS..  trans-8993.3169-53.30000107.6K751 D759K751-C761 PolarHBondContact NZ-SG 3.47Å; D759-C761 PolarHBondContact O-N 2.89Å; D759-C761 VanDerWaalsContact O-N 3.12Å
762P77.2Confident65.5Low39 Ų3979.8 Ų79.825%0.25343%0.428SS..  trans-60143.817325.5-34.3000110Q746 L748 D760 E764Q746-P762 HydrophobicContact CB-CB 3.95Å; Q746-P762 HydrophobicContact CG-CB 3.93Å; L748-P762 HydrophobicContact CD2-CB 3.9Å; D760-P762 VanDerWaalsContact C-CD 3.48Å; D760-P762 WeakPolarHBondContact O-CD 3.49Å; P762-E764 PolarHBondContact O-N 3.44Å
763I84.4Confident67.2Low4 Ų479.7 Ų79.72%0.02142%0.418CS..EExtended strand (participates in β ladder)trans-81.6103.2163.8-61.4166.9000106Q746 L747 F749 L765 V768 T791 Y796 F798Q746-I763 WeakPolarHBondContact CA-O 3.25Å; L747-I763 HydrophobicContact CB-CB 4.15Å; L747-I763 HydrophobicContact CD2-CD1 4.11Å; L747-I763 PolarHBondContact N-O 3.35Å; L747-I763 PolarHBondContact O-N 2.96Å; F749-I763 HydrophobicContact CE1-CD1 4.49Å; F749-I763 HydrophobicContact CE1-CG1 4.48Å; I763-L765 PolarHBondContact O-N 2.9Å; I763-V768 HydrophobicContact CG2-CG2 4.34Å; I763-T791 HydrophobicContact CG2-CG2 3.98Å; I763-Y796 HydrophobicContact CD1-CD1 3.87Å; I763-Y796 HydrophobicContact CD1-CD2 3.88Å; I763-Y796 HydrophobicContact CD1-CE1 3.92Å; I763-Y796 HydrophobicContact CD1-CE2 3.94Å; I763-Y796 HydrophobicContact CD1-CG 3.84Å; I763-Y796 HydrophobicContact CG1-CD2 4.33Å; I763-Y796 HydrophobicContact CG1-CE1 4.18Å; I763-Y796 HydrophobicContact CG1-CE2 3.89Å; I763-F798 HydrophobicContact CD1-CE2 4.42Å; I763-F798 HydrophobicContact CD1-CZ 3.95Å
764E85.5Confident68.9Low67 Ų6772.7 Ų72.731%0.31339%0.391SS..EExtended strand (participates in β ladder)trans-66.4125.1173.1-70.2171.3-153.600110P762 S766 K767P762-E764 PolarHBondContact O-N 3.44Å; E764-S766 VanDerWaalsContact C-N 3.35Å; E764-K767 HydrophobicContact CB-CD 4.25Å; E764-K767 HydrophobicContact CB-CG 4.41Å; E764-K767 PolarHBondContact O-N 2.76Å; E764-K767 IonicContact OE1-NZ 3.11Å; E764-K767 PolarHBondContact OE1-NZ 2.91Å; E764-K767 VanDerWaalsContact OE2-CD 3.32Å; E764-K767 WeakPolarHBondContact OE2-CD 3.47Å; E764-K767 WeakPolarHBondContact OE2-CE 3.23Å; E764-K767 IonicContact OE2-NZ 2.64Å; E764-K767 PolarHBondContact OE2-NZ 2.91Å
765L85.9Confident69.8Low0 Ų072.7 Ų72.70%040%0.398CS..SBendtrans-74.9-26.6-172.8-59.1176.7000112.5L742 N745 L747 I763 K767 V768 A816 V817 A820L742-L765 HydrophobicContact CD1-CD1 3.63Å; L742-L765 HydrophobicContact CD1-CD2 4.01Å; L742-L765 HydrophobicContact CD1-CG 4.37Å; N745-L765 PolarHBondContact O-N 2.77Å; N745-L765 WeakPolarHBondContact OD1-CB 3.5Å; L747-L765 HydrophobicContact CB-CD2 4.21Å; I763-L765 PolarHBondContact O-N 2.9Å; L765-K767 VanDerWaalsContact C-N 3.27Å; L765-K767 PolarHBondContact O-N 3.44Å; L765-V768 HydrophobicContact CD2-CG2 4.39Å; L765-V768 VanDerWaalsContact O-CB 3.28Å; L765-V768 WeakPolarHBondContact O-CB 3.42Å; L765-V768 PolarHBondContact O-N 3.41Å; L765-V768 VanDerWaalsContact O-N 3.12Å; L765-A816 HydrophobicContact CD1-CB 3.52Å; L765-V817 HydrophobicContact CB-CG2 4.13Å; L765-V817 HydrophobicContact CD2-CG2 4.2Å; L765-A820 HydrophobicContact CB-CB 4.04Å
766S82.4Confident70.6Confident18 Ų1867.1 Ų67.113%0.12637%0.373CS..THydrogen-bonded Turntrans-62.4-33.8172.752.80000113.5N745 E764 V768 E824N745-S766 PolarHBondContact OD1-N 3.47Å; E764-S766 VanDerWaalsContact C-N 3.35Å; S766-V768 PolarHBondContact O-N 3.32Å; S766-E824 WeakPolarHBondContact CB-OE1 3.44Å; S766-E824 WeakPolarHBondContact CB-OE2 3.47Å; S766-E824 PolarHBondContact OG-OE1 3.45Å; S766-E824 VanDerWaalsContact OG-OE1 3.11Å
767K84.9Confident70.8Confident90 Ų9069.6 Ų69.639%0.39138%0.377SS..THydrogen-bonded Turntrans-76.7-2.4176.1-67.9177.1176.5151.50113.6E764 L765 Q769 T791 D792E764-K767 HydrophobicContact CB-CD 4.25Å; E764-K767 HydrophobicContact CB-CG 4.41Å; E764-K767 PolarHBondContact O-N 2.76Å; E764-K767 IonicContact OE1-NZ 3.11Å; E764-K767 PolarHBondContact OE1-NZ 2.91Å; E764-K767 VanDerWaalsContact OE2-CD 3.32Å; E764-K767 WeakPolarHBondContact OE2-CD 3.47Å; E764-K767 WeakPolarHBondContact OE2-CE 3.23Å; E764-K767 IonicContact OE2-NZ 2.64Å; E764-K767 PolarHBondContact OE2-NZ 2.91Å; L765-K767 VanDerWaalsContact C-N 3.27Å; L765-K767 PolarHBondContact O-N 3.44Å; K767-Q769 PolarHBondContact O-N 3.32Å; K767-T791 VanDerWaalsContact O-CA 3.28Å; K767-T791 WeakPolarHBondContact O-CA 3.04Å; K767-D792 PolarHBondContact O-N 3.47Å
768V86.4Confident71.1Confident3 Ų372.9 Ų72.92%0.01838%0.38CS..EExtended strand (participates in β ladder)trans-76.6115.2178.7178.40000110.4I763 L765 S766 V771 I789 F790 T791 V817 K821I763-V768 HydrophobicContact CG2-CG2 4.34Å; L765-V768 HydrophobicContact CD2-CG2 4.39Å; L765-V768 VanDerWaalsContact O-CB 3.28Å; L765-V768 WeakPolarHBondContact O-CB 3.42Å; L765-V768 PolarHBondContact O-N 3.41Å; L765-V768 VanDerWaalsContact O-N 3.12Å; S766-V768 PolarHBondContact O-N 3.32Å; V768-V771 HydrophobicContact CG1-CG2 3.89Å; V768-I789 HydrophobicContact CB-CG2 4.46Å; V768-I789 HydrophobicContact CG1-CG2 3.78Å; V768-I789 HydrophobicContact CG2-CG2 3.81Å; V768-F790 CarbonylContact C-O 3.56Å; V768-T791 HydrophobicContact CG2-CG2 4.24Å; V768-V817 HydrophobicContact CB-CG1 4.22Å; V768-V817 HydrophobicContact CB-CG2 3.88Å; V768-V817 HydrophobicContact CG1-CG1 4.33Å; V768-V817 HydrophobicContact CG1-CG2 3.94Å; V768-V817 HydrophobicContact CG2-CG2 4.16Å; V768-K821 VanDerWaalsContact O-CE 3.31Å; V768-K821 WeakPolarHBondContact O-CE 3.43Å; V768-K821 PolarHBondContact O-NZ 3.42Å
769Q83.1Confident71.1Confident104 Ų10478.9 Ų78.949%0.48639%0.388SS..EExtended strand (participates in β ladder)trans-77.9-46.1176.1-64.8-174.2-6.200111.7K767 F790K767-Q769 PolarHBondContact O-N 3.32Å; Q769-F790 PolarHBondContact N-O 3.44Å
770S83.4Confident70.8Confident37 Ų3779 Ų7926%0.25939%0.388SS..EExtended strand (participates in β ladder)trans-159.2152.3179.166.20000112.2F790S770-F790 PolarHBondContact N-O 2.7Å; S770-F790 WeakPolarHBondContact O-CB 3.17Å; S770-F790 PolarHBondContact O-N 2.79Å; S770-F790 WeakPolarHBondContact OG-CD2 3.47Å
771V86.3Confident70.7Confident18 Ų1886.5 Ų86.511%0.10941%0.409CS..EExtended strand (participates in β ladder)trans-117.1128.5171-174.70000107.5V768 F787 E788 I789 L810 I813V768-V771 HydrophobicContact CG1-CG2 3.89Å; V771-F787 HydrophobicContact CG1-CD2 4.48Å; V771-E788 CarbonylContact C-O 3.59Å; V771-E788 WeakPolarHBondContact CA-O 3.48Å; V771-I789 HydrophobicContact CG1-CG1 4.37Å; V771-I789 HydrophobicContact CG2-CG1 4.46Å; V771-I789 HydrophobicContact CG2-CG2 4.48Å; V771-L810 HydrophobicContact CG1-CD2 3.53Å; V771-I813 HydrophobicContact CG2-CG2 3.8Å
772K83.8Confident70.5Confident112 Ų11285.6 Ų85.649%0.48740%0.403SS..EExtended strand (participates in β ladder)trans-135.8144.9-175-63.7-170.1178.6-173.20112F787 E788 F790K772-F787 CarbonylContact O-C 3.59Å; K772-F787 VanDerWaalsContact O-CA 3.29Å; K772-F787 WeakPolarHBondContact O-CA 3.18Å; K772-F787 WeakPolarHBondContact O-CB 3.35Å; K772-E788 PolarHBondContact N-O 2.94Å; K772-E788 PolarHBondContact O-N 2.91Å; K772-F790 HydrophobicContact CB-CE2 4.21Å; K772-F790 HydrophobicContact CD-CE2 4.1Å; K772-F790 HydrophobicContact CG-CE2 4.2Å
773V82.4Confident69.7Low45 Ų4585.4 Ų85.427%0.27340%0.4SS..EExtended strand (participates in β ladder)trans-78.5139.9172.4-165.30000109.8A775 L783 P784 L810V773-A775 PolarHBondContact O-N 2.9Å; V773-L783 HydrophobicContact CG1-CG 4.44Å; V773-L783 HydrophobicContact CG2-CD1 4.49Å; V773-P784 HydrophobicContact CG1-CB 3.66Å; V773-P784 HydrophobicContact CG1-CG 3.58Å; V773-L810 HydrophobicContact CG2-CD1 3.7Å
774V77.1Confident69.1Low48 Ų4886.4 Ų86.429%0.29141%0.406SS..  trans-74113.5179.21790000109.4K776 P784 A786 E788 V797V774-K776 PolarHBondContact O-N 3.14Å; V774-P784 VanDerWaalsContact O-CB 3.23Å; V774-P784 WeakPolarHBondContact O-CB 3.36Å; V774-P784 WeakPolarHBondContact O-CG 3.42Å; V774-A786 HydrophobicContact CB-CB 4.24Å; V774-A786 WeakPolarHBondContact CB-O 3.45Å; V774-A786 HydrophobicContact CG2-CB 4.06Å; V774-A786 PolarHBondContact N-O 3.14Å; V774-E788 HydrophobicContact CG2-CG 3.5Å; V774-E788 VanDerWaalsContact CG2-CG 3.5Å; V774-V797 HydrophobicContact CG2-CG1 4.17Å
775A59.7Low69Low96 Ų9689.7 Ų89.779%0.79342%0.416SS*.  trans-55.2130.6-175.800000113.4V773V773-A775 PolarHBondContact O-N 2.9Å
776K57.9Low69Low88 Ų8890.5 Ų90.538%0.38342%0.423SS..  trans-81.7154.4170.1-91.7177.7-178.4-179.40111.2V774 R778 D780 S782 P784V774-K776 PolarHBondContact O-N 3.14Å; K776-R778 PolarHBondContact O-N 2.96Å; K776-R778 VanDerWaalsContact O-N 3.07Å; K776-D780 HydrophobicContact CD-CB 4.26Å; K776-D780 IonicContact NZ-OD2 3.15Å; K776-D780 PolarHBondContact NZ-OD2 3.33Å; K776-S782 PolarHBondContact NZ-O 3.17Å; K776-S782 PolarHBondContact NZ-OG 3.14Å; K776-P784 HydrophobicContact CB-CG 4.46Å; K776-P784 HydrophobicContact CD-CG 4.22Å; K776-P784 HydrophobicContact CG-CB 4.36Å; K776-P784 HydrophobicContact CG-CG 3.97Å
777K45.1Very low69.3Low206 Ų20689.7 Ų89.790%0.89642%0.417SS*.  trans-66.6101.1168.1-71.6-176.5176.4-177.20110.1R779K777-R779 VanDerWaalsContact C-N 3.33Å; K777-R779 PolarHBondContact O-N 3Å
778R45.7Very low69.5Low184 Ų18487.7 Ų87.769%0.69441%0.409SS*.SBendtrans33-6.6159.3-76.8-169-178.9-175.4-1.2124.6K440 D441 K776K440-R778 PolarHBondContact O-NH2 2.78Å; D441-R778 VanDerWaalsContact CG-CZ 3.5Å; D441-R778 IonicContact OD1-CZ 3.14Å; D441-R778 IonicContact OD1-NH1 2.68Å; D441-R778 PolarHBondContact OD1-NH1 3.23Å; D441-R778 IonicContact OD1-NH2 2.79Å; D441-R778 PolarHBondContact OD1-NH2 3.03Å; D441-R778 IonicContact OD2-CZ 4Å; D441-R778 VanDerWaalsContact OD2-CZ 3.26Å; D441-R778 IonicContact OD2-NE 3.4Å; D441-R778 IonicContact OD2-NH1 3.69Å; D441-R778 IonicContact OD2-NH2 2.68Å; D441-R778 PolarHBondContact OD2-NH2 3.41Å; K776-R778 PolarHBondContact O-N 2.96Å; K776-R778 VanDerWaalsContact O-N 3.07Å
779R42.3Very low69.7Low245 Ų24587.6 Ų87.693%0.92541%0.408SS*.SBendtrans-131.718.3-170.5-72.3-166.6-174.6-177.12.8118K777K777-R779 VanDerWaalsContact C-N 3.33Å; K777-R779 PolarHBondContact O-N 3Å
780D39.5Very low69.8Low101 Ų10184.1 Ų84.154%0.5439%0.391SS..  trans-138.5123.3-176.6-163.26.1000110.9K776 S782K776-D780 HydrophobicContact CD-CB 4.26Å; K776-D780 IonicContact NZ-OD2 3.15Å; K776-D780 PolarHBondContact NZ-OD2 3.33Å; D780-S782 PolarHBondContact O-N 2.8Å; D780-S782 PolarHBondContact OD1-OG 2.85Å; D780-S782 VanDerWaalsContact OD1-OG 3.04Å; D780-S782 PolarHBondContact OD2-OG 2.74Å
781R51.2Low69.9Low260 Ų26083 Ų8398%0.98138%0.383SS*.  trans-76.8-3.9-176-80-178174.8174.1-2.9113.6
782S57Low69.5Low32 Ų3286.4 Ų86.422%0.22440%0.401CS..SBendtrans-86.4135.1-178.549.70000112.7K776 D780 E803K776-S782 PolarHBondContact NZ-O 3.17Å; K776-S782 PolarHBondContact NZ-OG 3.14Å; D780-S782 PolarHBondContact O-N 2.8Å; D780-S782 PolarHBondContact OD1-OG 2.85Å; D780-S782 VanDerWaalsContact OD1-OG 3.04Å; D780-S782 PolarHBondContact OD2-OG 2.74Å; S782-E803 WeakPolarHBondContact CA-OE1 3.39Å; S782-E803 VanDerWaalsContact CB-OE2 3.23Å; S782-E803 WeakPolarHBondContact CB-OE2 3.48Å
783L59.4Low69Low36 Ų3685.9 Ų85.919%0.18841%0.411CS..PPolyproline II helixtrans-57.6128.9179.1-176.2124.1000110.8V773 R785 E803 A806 E807 L810V773-L783 HydrophobicContact CG1-CG 4.44Å; V773-L783 HydrophobicContact CG2-CD1 4.49Å; L783-R785 PolarHBondContact O-N 2.93Å; L783-E803 HydrophobicContact CB-CG 3.71Å; L783-E803 WeakPolarHBondContact CB-OE1 3.41Å; L783-E803 HydrophobicContact CD2-CG 4.29Å; L783-E803 VanDerWaalsContact N-CD 3.29Å; L783-E803 PolarHBondContact N-OE1 2.95Å; L783-E803 WeakPolarHBondContact O-CG 3.33Å; L783-A806 HydrophobicContact CD2-CB 4.01Å; L783-E807 WeakPolarHBondContact CD1-OE2 3.11Å; L783-E807 WeakPolarHBondContact CD2-OE2 2.88Å; L783-L810 HydrophobicContact CD2-CD1 4.27Å
784P72Confident68.9Low24 Ų2488.6 Ų88.616%0.15642%0.419CS..PPolyproline II helixtrans-59.5135.6179.6-23.628.3000112.6V773 V774 K776 A786V773-P784 HydrophobicContact CG1-CB 3.66Å; V773-P784 HydrophobicContact CG1-CG 3.58Å; V774-P784 VanDerWaalsContact O-CB 3.23Å; V774-P784 WeakPolarHBondContact O-CB 3.36Å; V774-P784 WeakPolarHBondContact O-CG 3.42Å; K776-P784 HydrophobicContact CB-CG 4.46Å; K776-P784 HydrophobicContact CD-CG 4.22Å; K776-P784 HydrophobicContact CG-CB 4.36Å; K776-P784 HydrophobicContact CG-CG 3.97Å; P784-A786 PolarHBondContact O-N 2.72Å
785R83.6Confident69.3Low137 Ų13789.4 Ų89.452%0.51742%0.424SS..SBendtrans-67.63.3175.8-55.9-175.8-173.3-173.87.3114.1L783 K799 A800 K801L783-R785 PolarHBondContact O-N 2.93Å; R785-K799 CarbonylContact O-C 3.49Å; R785-K799 VanDerWaalsContact O-CA 3.28Å; R785-K799 WeakPolarHBondContact O-CA 3.12Å; R785-A800 PolarHBondContact O-N 3Å; R785-K801 PolarHBondContact NH1-O 3.04Å
786A86.5Confident70.5Confident17 Ų1786.1 Ų86.114%0.1439%0.392CS..EExtended strand (participates in β ladder)trans-131.7140.7-174.800000111V774 P784 F798 K799V774-A786 HydrophobicContact CB-CB 4.24Å; V774-A786 WeakPolarHBondContact CB-O 3.45Å; V774-A786 HydrophobicContact CG2-CB 4.06Å; V774-A786 PolarHBondContact N-O 3.14Å; P784-A786 PolarHBondContact O-N 2.72Å; A786-F798 CarbonylContact C-O 3.48Å; A786-F798 WeakPolarHBondContact CA-O 3.28Å; A786-F798 WeakPolarHBondContact CB-O 3.35Å; A786-K799 HydrophobicContact CB-CB 4.12Å; A786-K799 HydrophobicContact CB-CG 4.39Å
787F88.7Confident72Confident0 Ų082.6 Ų82.60%038%0.377CS..EExtended strand (participates in β ladder)trans-142161.2-177.560.9-91.3000111L722 V771 K772 I789 V797 F798 W809 L810 I813L722-F787 HydrophobicContact CD1-CZ 4.05Å; L722-F787 HydrophobicContact CD2-CE1 4.46Å; V771-F787 HydrophobicContact CG1-CD2 4.48Å; K772-F787 CarbonylContact O-C 3.59Å; K772-F787 VanDerWaalsContact O-CA 3.29Å; K772-F787 WeakPolarHBondContact O-CA 3.18Å; K772-F787 WeakPolarHBondContact O-CB 3.35Å; F787-I789 HydrophobicContact CD2-CG1 4.34Å; F787-I789 HydrophobicContact CE2-CD1 4.35Å; F787-I789 HydrophobicContact CE2-CG1 4.3Å; F787-V797 CarbonylContact O-C 3.57Å; F787-V797 WeakPolarHBondContact O-CA 3.35Å; F787-F798 HydrophobicContact CD2-CB 4.27Å; F787-F798 HydrophobicContact CD2-CD2 4.25Å; F787-F798 HydrophobicContact CE1-CB 4.07Å; F787-F798 HydrophobicContact CE2-CB 3.82Å; F787-F798 AromaticContact CE2-CD2 3.67Å; F787-F798 HydrophobicContact CE2-CD2 3.67Å; F787-F798 HydrophobicContact CE2-CG 4.17Å; F787-F798 HydrophobicContact CZ-CB 3.71Å; F787-F798 HydrophobicContact CZ-CD2 4.25Å; F787-F798 HydrophobicContact CZ-CG 4.33Å; F787-F798 PolarHBondContact N-O 2.82Å; F787-F798 PolarHBondContact O-N 2.8Å; F787-W809 HydrophobicContact CE1-CB 4.09Å; F787-W809 HydrophobicContact CZ-CB 4Å; F787-L810 HydrophobicContact CB-CD1 4.44Å; F787-L810 HydrophobicContact CB-CD2 3.67Å; F787-L810 HydrophobicContact CB-CG 4.29Å; F787-L810 HydrophobicContact CD1-CD2 4.36Å; F787-L810 HydrophobicContact CD1-CG 4.28Å; F787-L810 HydrophobicContact CD2-CD2 4Å; F787-L810 HydrophobicContact CG-CD2 3.78Å; F787-L810 HydrophobicContact CG-CG 4.19Å; F787-I813 HydrophobicContact CE2-CD1 3.76Å; F787-I813 HydrophobicContact CZ-CD1 4.12Å
788E89.4Confident74.1Confident49 Ų4972.8 Ų72.823%0.22934%0.335CS..EExtended strand (participates in β ladder)trans-122.3133.1-176.1-51.8-169.1151.100110V771 K772 V774 F790 T795 Y796 V797V771-E788 CarbonylContact C-O 3.59Å; V771-E788 WeakPolarHBondContact CA-O 3.48Å; K772-E788 PolarHBondContact N-O 2.94Å; K772-E788 PolarHBondContact O-N 2.91Å; V774-E788 HydrophobicContact CG2-CG 3.5Å; V774-E788 VanDerWaalsContact CG2-CG 3.5Å; E788-F790 HydrophobicContact CB-CD2 4.39Å; E788-F790 HydrophobicContact CB-CE2 3.72Å; E788-F790 HydrophobicContact CB-CZ 4.14Å; E788-F790 VanDerWaalsContact OE2-CZ 3.24Å; E788-F790 WeakPolarHBondContact OE2-CZ 3.49Å; E788-T795 HydrophobicContact CB-CG2 4.26Å; E788-Y796 CarbonylContact C-O 3.59Å; E788-Y796 WeakPolarHBondContact CA-O 3.34Å; E788-V797 HydrophobicContact CB-CG2 4.49Å; E788-V797 HydrophobicContact CG-CB 4.31Å; E788-V797 HydrophobicContact CG-CG1 4.09Å; E788-V797 HydrophobicContact CG-CG2 3.82Å; E788-V797 WeakPolarHBondContact OE1-CG2 3.46Å
789I89.2Confident76.2Confident0 Ų067.8 Ų67.80%032%0.318CS..EExtended strand (participates in β ladder)trans-107.3118.6170.4-54.6-175.1000107.3L747 V768 V771 F787 T791 T795 Y796 F798 I813L747-I789 HydrophobicContact CD2-CD1 3.86Å; V768-I789 HydrophobicContact CB-CG2 4.46Å; V768-I789 HydrophobicContact CG1-CG2 3.78Å; V768-I789 HydrophobicContact CG2-CG2 3.81Å; V771-I789 HydrophobicContact CG1-CG1 4.37Å; V771-I789 HydrophobicContact CG2-CG1 4.46Å; V771-I789 HydrophobicContact CG2-CG2 4.48Å; F787-I789 HydrophobicContact CD2-CG1 4.34Å; F787-I789 HydrophobicContact CE2-CD1 4.35Å; F787-I789 HydrophobicContact CE2-CG1 4.3Å; I789-T791 HydrophobicContact CG2-CG2 4.48Å; I789-T795 WeakPolarHBondContact O-CA 3.44Å; I789-Y796 PolarHBondContact N-O 3.03Å; I789-Y796 PolarHBondContact O-N 2.9Å; I789-F798 HydrophobicContact CB-CE2 4.44Å; I789-F798 HydrophobicContact CD1-CD2 4Å; I789-F798 HydrophobicContact CD1-CE2 3.61Å; I789-F798 HydrophobicContact CG1-CD2 4.09Å; I789-F798 HydrophobicContact CG1-CE2 3.94Å; I789-I813 HydrophobicContact CD1-CD1 3.93Å; I789-I813 HydrophobicContact CD1-CG2 4.23Å
790F85.8Confident78.5Confident31 Ų3156.4 Ų56.414%0.13628%0.276CS..EExtended strand (participates in β ladder)trans-96.8114.9175.4-65-92.3000109V768 Q769 S770 K772 E788 T795V768-F790 CarbonylContact C-O 3.56Å; Q769-F790 PolarHBondContact N-O 3.44Å; S770-F790 PolarHBondContact N-O 2.7Å; S770-F790 WeakPolarHBondContact O-CB 3.17Å; S770-F790 PolarHBondContact O-N 2.79Å; S770-F790 WeakPolarHBondContact OG-CD2 3.47Å; K772-F790 HydrophobicContact CB-CE2 4.21Å; K772-F790 HydrophobicContact CD-CE2 4.1Å; K772-F790 HydrophobicContact CG-CE2 4.2Å; E788-F790 HydrophobicContact CB-CD2 4.39Å; E788-F790 HydrophobicContact CB-CE2 3.72Å; E788-F790 HydrophobicContact CB-CZ 4.14Å; E788-F790 VanDerWaalsContact OE2-CZ 3.24Å; E788-F790 WeakPolarHBondContact OE2-CZ 3.49Å; F790-T795 HydrophobicContact CD1-CG2 3.7Å; F790-T795 WeakPolarHBondContact CD1-OG1 3.49Å; F790-T795 HydrophobicContact CE1-CG2 3.48Å; F790-T795 VanDerWaalsContact CE1-CG2 3.48Å; F790-T795 WeakPolarHBondContact CE1-OG1 3.42Å; F790-T795 HydrophobicContact CE2-CG2 4.42Å; F790-T795 HydrophobicContact CG-CG2 4.26Å; F790-T795 HydrophobicContact CZ-CG2 3.87Å
791T85.1Confident80.7Confident13 Ų1359.5 Ų59.58%0.0829%0.285CS..EExtended strand (participates in β ladder)trans-97.2175166.273.40000110.4I763 K767 V768 I789 S793 K794 Y796I763-T791 HydrophobicContact CG2-CG2 3.98Å; K767-T791 VanDerWaalsContact O-CA 3.28Å; K767-T791 WeakPolarHBondContact O-CA 3.04Å; V768-T791 HydrophobicContact CG2-CG2 4.24Å; I789-T791 HydrophobicContact CG2-CG2 4.48Å; T791-S793 PolarHBondContact O-N 3.25Å; T791-S793 PolarHBondContact OG1-N 3.12Å; T791-S793 PolarHBondContact OG1-OG 3.05Å; T791-K794 PolarHBondContact N-O 2.93Å; T791-K794 PolarHBondContact OG1-N 3.4Å; T791-K794 PolarHBondContact OG1-O 3.47Å; T791-Y796 HydrophobicContact CG2-CD2 4.28Å; T791-Y796 HydrophobicContact CG2-CE2 4.01Å
792D77.9Confident82.4Confident90 Ų9049.8 Ų49.848%0.48125%0.253SS..SBendtrans-49.7-37.4168.958.5-8.2000114.7K767K767-D792 PolarHBondContact O-N 3.47Å
793S73.3Confident83.7Confident101 Ų10152 Ų5271%0.70626%0.26SS*.SBendtrans-111.7-27.6-167.2470000113.2T791T791-S793 PolarHBondContact O-N 3.25Å; T791-S793 PolarHBondContact OG1-N 3.12Å; T791-S793 PolarHBondContact OG1-OG 3.05Å
794K80.9Confident85Confident102 Ų10257.6 Ų57.644%0.44328%0.282SS..  trans-152.4146.7-171.3-174.3168.4167.8-167.80113.4T791 Y796T791-K794 PolarHBondContact N-O 2.93Å; T791-K794 PolarHBondContact OG1-N 3.4Å; T791-K794 PolarHBondContact OG1-O 3.47Å; K794-Y796 HydrophobicContact CB-CE2 3.94Å; K794-Y796 HydrophobicContact CD-CE1 3.87Å; K794-Y796 HydrophobicContact CD-CE2 4.17Å; K794-Y796 HydrophobicContact CG-CD2 4.39Å; K794-Y796 HydrophobicContact CG-CE1 4.41Å; K794-Y796 HydrophobicContact CG-CE2 4.01Å
795T84.5Confident85.8Confident65 Ų6558.3 Ų58.340%0.39929%0.285SS..EExtended strand (participates in β ladder)trans-98.8124.4166.7-54.90000110.1E788 I789 F790E788-T795 HydrophobicContact CB-CG2 4.26Å; I789-T795 WeakPolarHBondContact O-CA 3.44Å; F790-T795 HydrophobicContact CD1-CG2 3.7Å; F790-T795 WeakPolarHBondContact CD1-OG1 3.49Å; F790-T795 HydrophobicContact CE1-CG2 3.48Å; F790-T795 VanDerWaalsContact CE1-CG2 3.48Å; F790-T795 WeakPolarHBondContact CE1-OG1 3.42Å; F790-T795 HydrophobicContact CE2-CG2 4.42Å; F790-T795 HydrophobicContact CG-CG2 4.26Å; F790-T795 HydrophobicContact CZ-CG2 3.87Å
796Y86.6Confident86Confident28 Ų2851.8 Ų51.811%0.1126%0.26CS..EExtended strand (participates in β ladder)trans-102.3134.5173-61.2-92.2000109.4I763 E788 I789 T791 K794 F798I763-Y796 HydrophobicContact CD1-CD1 3.87Å; I763-Y796 HydrophobicContact CD1-CD2 3.88Å; I763-Y796 HydrophobicContact CD1-CE1 3.92Å; I763-Y796 HydrophobicContact CD1-CE2 3.94Å; I763-Y796 HydrophobicContact CD1-CG 3.84Å; I763-Y796 HydrophobicContact CG1-CD2 4.33Å; I763-Y796 HydrophobicContact CG1-CE1 4.18Å; I763-Y796 HydrophobicContact CG1-CE2 3.89Å; E788-Y796 CarbonylContact C-O 3.59Å; E788-Y796 WeakPolarHBondContact CA-O 3.34Å; I789-Y796 PolarHBondContact N-O 3.03Å; I789-Y796 PolarHBondContact O-N 2.9Å; T791-Y796 HydrophobicContact CG2-CD2 4.28Å; T791-Y796 HydrophobicContact CG2-CE2 4.01Å; K794-Y796 HydrophobicContact CB-CE2 3.94Å; K794-Y796 HydrophobicContact CD-CE1 3.87Å; K794-Y796 HydrophobicContact CD-CE2 4.17Å; K794-Y796 HydrophobicContact CG-CD2 4.39Å; K794-Y796 HydrophobicContact CG-CE1 4.41Å; K794-Y796 HydrophobicContact CG-CE2 4.01Å; Y796-F798 VanDerWaalsContact CB-CE2 3.49Å; Y796-F798 HydrophobicContact CD1-CZ 4.21Å; Y796-F798 HydrophobicContact CG-CE2 4.38Å; Y796-F798 HydrophobicContact CG-CZ 4.13Å
797V88.3Confident86Confident13 Ų1354 Ų548%0.07927%0.267CS..EExtended strand (participates in β ladder)trans-116.4121.3174.9-1760000108.8K725 W735 V774 F787 E788K725-V797 HydrophobicContact CB-CB 3.83Å; K725-V797 HydrophobicContact CB-CG1 4.23Å; K725-V797 WeakPolarHBondContact CB-O 3.29Å; K725-V797 HydrophobicContact CD-CB 3.93Å; K725-V797 HydrophobicContact CD-CG1 3.98Å; K725-V797 HydrophobicContact CD-CG2 4.24Å; K725-V797 PolarHBondContact N-O 2.72Å; W735-V797 HydrophobicContact CH2-CG1 4.31Å; V774-V797 HydrophobicContact CG2-CG1 4.17Å; F787-V797 CarbonylContact O-C 3.57Å; F787-V797 WeakPolarHBondContact O-CA 3.35Å; E788-V797 HydrophobicContact CB-CG2 4.49Å; E788-V797 HydrophobicContact CG-CB 4.31Å; E788-V797 HydrophobicContact CG-CG1 4.09Å; E788-V797 HydrophobicContact CG-CG2 3.82Å; E788-V797 WeakPolarHBondContact OE1-CG2 3.46Å
798F89.6Confident86Confident0 Ų057.6 Ų57.60%029%0.285CS..EExtended strand (participates in β ladder)trans-113.8152.5-179-59.9-64.6000111.2L722 K723 E724 F740 L747 I763 A786 F787 I789 Y796L722-F798 HydrophobicContact CD1-CB 4.37Å; L722-F798 HydrophobicContact CD1-CG 4.42Å; K723-F798 CarbonylContact O-C 3.56Å; K723-F798 WeakPolarHBondContact O-CA 3.47Å; E724-F798 HydrophobicContact CB-CD1 4.14Å; E724-F798 HydrophobicContact CB-CE1 4.05Å; E724-F798 HydrophobicContact CG-CD1 4.33Å; E724-F798 HydrophobicContact CG-CE1 3.89Å; F740-F798 HydrophobicContact CD1-CE1 4.49Å; F740-F798 HydrophobicContact CE1-CD1 4.4Å; F740-F798 AromaticContact CE1-CE1 3.56Å; F740-F798 HydrophobicContact CE1-CE1 3.56Å; F740-F798 AromaticContact CE1-CZ 3.92Å; F740-F798 HydrophobicContact CE1-CZ 3.92Å; F740-F798 HydrophobicContact CE2-CD1 4.28Å; F740-F798 HydrophobicContact CE2-CE1 4.12Å; F740-F798 AromaticContact CZ-CD1 3.94Å; F740-F798 HydrophobicContact CZ-CD1 3.94Å; F740-F798 AromaticContact CZ-CE1 3.34Å; F740-F798 HydrophobicContact CZ-CE1 3.34Å; F740-F798 HydrophobicContact CZ-CZ 4.18Å; L747-F798 HydrophobicContact CD2-CE2 4.43Å; I763-F798 HydrophobicContact CD1-CE2 4.42Å; I763-F798 HydrophobicContact CD1-CZ 3.95Å; A786-F798 CarbonylContact C-O 3.48Å; A786-F798 WeakPolarHBondContact CA-O 3.28Å; A786-F798 WeakPolarHBondContact CB-O 3.35Å; F787-F798 HydrophobicContact CD2-CB 4.27Å; F787-F798 HydrophobicContact CD2-CD2 4.25Å; F787-F798 HydrophobicContact CE1-CB 4.07Å; F787-F798 HydrophobicContact CE2-CB 3.82Å; F787-F798 AromaticContact CE2-CD2 3.67Å; F787-F798 HydrophobicContact CE2-CD2 3.67Å; F787-F798 HydrophobicContact CE2-CG 4.17Å; F787-F798 HydrophobicContact CZ-CB 3.71Å; F787-F798 HydrophobicContact CZ-CD2 4.25Å; F787-F798 HydrophobicContact CZ-CG 4.33Å; F787-F798 PolarHBondContact N-O 2.82Å; F787-F798 PolarHBondContact O-N 2.8Å; I789-F798 HydrophobicContact CB-CE2 4.44Å; I789-F798 HydrophobicContact CD1-CD2 4Å; I789-F798 HydrophobicContact CD1-CE2 3.61Å; I789-F798 HydrophobicContact CG1-CD2 4.09Å; I789-F798 HydrophobicContact CG1-CE2 3.94Å; Y796-F798 VanDerWaalsContact CB-CE2 3.49Å; Y796-F798 HydrophobicContact CD1-CZ 4.21Å; Y796-F798 HydrophobicContact CG-CE2 4.38Å; Y796-F798 HydrophobicContact CG-CZ 4.13Å
799K90.2Very high86Confident79 Ų7955.3 Ų55.334%0.34327%0.274SS..EExtended strand (participates in β ladder)trans-132.3120.6173176.4176.7-176.8174.60110.1K723 W735 R785 A786K723-K799 HydrophobicContact CB-CB 4.1Å; K723-K799 PolarHBondContact N-O 3.25Å; K723-K799 PolarHBondContact O-N 2.94Å; W735-K799 HydrophobicContact CE3-CB 4.01Å; W735-K799 HydrophobicContact CH2-CB 3.75Å; W735-K799 HydrophobicContact CH2-CD 4.24Å; W735-K799 HydrophobicContact CZ2-CD 4.3Å; W735-K799 HydrophobicContact CZ3-CB 3.41Å; W735-K799 VanDerWaalsContact CZ3-CB 3.41Å; W735-K799 HydrophobicContact CZ3-CD 4.42Å; R785-K799 CarbonylContact O-C 3.49Å; R785-K799 VanDerWaalsContact O-CA 3.28Å; R785-K799 WeakPolarHBondContact O-CA 3.12Å; A786-K799 HydrophobicContact CB-CB 4.12Å; A786-K799 HydrophobicContact CB-CG 4.39Å
800A89.9Confident86Confident6 Ų655.4 Ų55.45%0.0527%0.274CS..  trans-79.3171175.900000111.9L722 R785 N805 A806L722-A800 HydrophobicContact CD2-CB 4.05Å; R785-A800 PolarHBondContact O-N 3Å; A800-N805 HydrophobicContact CB-CB 4.3Å; A800-A806 HydrophobicContact CB-CB 3.76Å
801K86.9Confident86.1Confident166 Ų16656.9 Ų56.972%0.72228%0.282SS*.SBendtrans-66.2-47.8179.4-176.5-174.1175.3-168.30111.6R785R785-K801 PolarHBondContact NH1-O 3.04Å
802D85.6Confident86.3Confident57 Ų5757.5 Ų57.531%0.30529%0.286SS..SBendtrans-144.9178.9-177.252.156.6000109.8K804 N805 A806D802-K804 PolarHBondContact OD1-N 2.93Å; D802-N805 WeakPolarHBondContact OD1-CB 3.49Å; D802-N805 PolarHBondContact OD1-N 2.9Å; D802-A806 PolarHBondContact O-N 2.95Å; D802-A806 VanDerWaalsContact O-N 3.08Å
803E84.8Confident86.9Confident79 Ų7953.2 Ų53.237%0.36926%0.263SS..Hα-helixtrans-67.2-44.6-177-178.2175174.300112.2S782 L783 N805 A806 E807S782-E803 WeakPolarHBondContact CA-OE1 3.39Å; S782-E803 VanDerWaalsContact CB-OE2 3.23Å; S782-E803 WeakPolarHBondContact CB-OE2 3.48Å; L783-E803 HydrophobicContact CB-CG 3.71Å; L783-E803 WeakPolarHBondContact CB-OE1 3.41Å; L783-E803 HydrophobicContact CD2-CG 4.29Å; L783-E803 VanDerWaalsContact N-CD 3.29Å; L783-E803 PolarHBondContact N-OE1 2.95Å; L783-E803 WeakPolarHBondContact O-CG 3.33Å; E803-N805 VanDerWaalsContact C-N 3.32Å; E803-N805 PolarHBondContact O-N 3.27Å; E803-A806 WeakPolarHBondContact O-CB 3.25Å; E803-A806 PolarHBondContact O-N 2.75Å; E803-A806 VanDerWaalsContact O-N 3.11Å; E803-E807 PolarHBondContact O-N 3.1Å
804K86.8Confident87.6Confident153 Ų15349.3 Ų49.367%0.66523%0.234SC*.Hα-helixtrans-59.8-44.1177.4-175.9178.6176.7-178.70111.3D802 A806 E807 E808D802-K804 PolarHBondContact OD1-N 2.93Å; K804-A806 VanDerWaalsContact C-N 3.34Å; K804-A806 PolarHBondContact O-N 2.88Å; K804-E807 WeakPolarHBondContact O-CB 3.23Å; K804-E807 PolarHBondContact O-N 3.26Å; K804-E808 VanDerWaalsContact CE-OE1 3.23Å; K804-E808 WeakPolarHBondContact CE-OE1 3.15Å; K804-E808 WeakPolarHBondContact O-CG 3.42Å; K804-E808 PolarHBondContact O-N 3.4Å
805N87.7Confident88Confident38 Ų3844.6 Ų44.620%0.20321%0.214CC..Hα-helixtrans-65.7-37176.3-169.3-102.2000112A800 D802 E803 E807 W809A800-N805 HydrophobicContact CB-CB 4.3Å; D802-N805 WeakPolarHBondContact OD1-CB 3.49Å; D802-N805 PolarHBondContact OD1-N 2.9Å; E803-N805 VanDerWaalsContact C-N 3.32Å; E803-N805 PolarHBondContact O-N 3.27Å; N805-E807 VanDerWaalsContact C-N 3.33Å; N805-W809 PolarHBondContact O-N 3.44Å; N805-W809 VanDerWaalsContact O-N 3.08Å; N805-W809 VanDerWaalsContact OD1-CD1 3.32Å
806A87.9Confident88.1Confident0 Ų041.6 Ų41.60%020%0.196CC..Hα-helixtrans-62.5-42.8174.300000111.6L783 A800 D802 E803 K804 W809 L810L783-A806 HydrophobicContact CD2-CB 4.01Å; A800-A806 HydrophobicContact CB-CB 3.76Å; D802-A806 PolarHBondContact O-N 2.95Å; D802-A806 VanDerWaalsContact O-N 3.08Å; E803-A806 WeakPolarHBondContact O-CB 3.25Å; E803-A806 PolarHBondContact O-N 2.75Å; E803-A806 VanDerWaalsContact O-N 3.11Å; K804-A806 VanDerWaalsContact C-N 3.34Å; K804-A806 PolarHBondContact O-N 2.88Å; A806-W809 PolarHBondContact O-N 2.87Å; A806-L810 WeakPolarHBondContact O-CB 3.4Å; A806-L810 WeakPolarHBondContact O-CD1 3.48Å; A806-L810 VanDerWaalsContact O-CG 3.25Å; A806-L810 WeakPolarHBondContact O-CG 3.34Å; A806-L810 PolarHBondContact O-N 3.02Å
807E86.8Confident88.2Confident63 Ų6340.9 Ų40.929%0.29419%0.194SC..Hα-helixtrans-61.4-48.1177.9-167.660.7-150.600111.8R682 L783 E803 K804 N805 W809 L810 Q811R682-E807 IonicContact CZ-OE1 2.75Å; R682-E807 IonicContact CZ-OE2 3.47Å; R682-E807 VanDerWaalsContact NH1-CD 3.29Å; R682-E807 IonicContact NH1-OE1 3.21Å; R682-E807 PolarHBondContact NH1-OE1 3.41Å; R682-E807 IonicContact NH1-OE2 3.2Å; R682-E807 PolarHBondContact NH1-OE2 2.7Å; R682-E807 VanDerWaalsContact NH2-CD 3.32Å; R682-E807 IonicContact NH2-OE1 2.88Å; R682-E807 PolarHBondContact NH2-OE1 2.71Å; R682-E807 IonicContact NH2-OE2 2.9Å; R682-E807 PolarHBondContact NH2-OE2 3.29Å; L783-E807 WeakPolarHBondContact CD1-OE2 3.11Å; L783-E807 WeakPolarHBondContact CD2-OE2 2.88Å; E803-E807 PolarHBondContact O-N 3.1Å; K804-E807 WeakPolarHBondContact O-CB 3.23Å; K804-E807 PolarHBondContact O-N 3.26Å; N805-E807 VanDerWaalsContact C-N 3.33Å; E807-W809 PolarHBondContact O-N 2.99Å; E807-L810 PolarHBondContact O-N 3.12Å; E807-Q811 WeakPolarHBondContact O-CB 3.44Å; E807-Q811 PolarHBondContact O-N 2.9Å
808E88.4Confident88.1Confident77 Ų7740.8 Ų40.836%0.3620%0.195SC..Hα-helixtrans-57.9-46.9176.1-72.5167.9-176.500111.5I718 K804 C812I718-E808 HydrophobicContact CD1-CB 4.23Å; K804-E808 VanDerWaalsContact CE-OE1 3.23Å; K804-E808 WeakPolarHBondContact CE-OE1 3.15Å; K804-E808 WeakPolarHBondContact O-CG 3.42Å; K804-E808 PolarHBondContact O-N 3.4Å; E808-C812 WeakPolarHBondContact O-CB 3.35Å; E808-C812 PolarHBondContact O-N 2.79Å; E808-C812 PolarHBondContact O-SG 2.98Å; E808-C812 VanDerWaalsContact O-SG 3.34Å
809W90.4Very high87.9Confident1 Ų141.6 Ų41.60%0.00420%0.199CC..Hα-helixtrans-62.6-44.7177-87.5102.8000112.6I718 L722 F740 L742 L747 F787 N805 A806 E807 I813I718-W809 HydrophobicContact CD1-CD2 3.8Å; I718-W809 HydrophobicContact CD1-CE3 4.34Å; I718-W809 HydrophobicContact CD1-CG 3.92Å; I718-W809 HydrophobicContact CD1-CZ2 4.42Å; I718-W809 HydrophobicContact CG1-CD2 4.22Å; I718-W809 HydrophobicContact CG1-CE3 4.48Å; I718-W809 HydrophobicContact CG1-CH2 4.31Å; I718-W809 HydrophobicContact CG1-CZ2 4.05Å; I718-W809 HydrophobicContact CG2-CD2 4.18Å; I718-W809 HydrophobicContact CG2-CE3 3.62Å; I718-W809 HydrophobicContact CG2-CH2 3.98Å; I718-W809 HydrophobicContact CG2-CZ2 4.49Å; I718-W809 HydrophobicContact CG2-CZ3 3.51Å; L722-W809 HydrophobicContact CD1-CD2 3.81Å; L722-W809 HydrophobicContact CD1-CE3 4Å; L722-W809 HydrophobicContact CD1-CG 4.31Å; L722-W809 HydrophobicContact CD1-CH2 4.29Å; L722-W809 HydrophobicContact CD1-CZ2 4.1Å; L722-W809 HydrophobicContact CD1-CZ3 4.22Å; L722-W809 HydrophobicContact CD2-CD2 4.3Å; L722-W809 HydrophobicContact CD2-CG 4.13Å; L722-W809 HydrophobicContact CG-CD2 4.31Å; L722-W809 HydrophobicContact CG-CZ2 4.18Å; F740-W809 HydrophobicContact CB-CH2 3.73Å; F740-W809 HydrophobicContact CB-CZ2 4.36Å; F740-W809 HydrophobicContact CB-CZ3 4.34Å; L742-W809 HydrophobicContact CB-CZ3 4.25Å; L747-W809 HydrophobicContact CD1-CZ3 3.86Å; F787-W809 HydrophobicContact CE1-CB 4.09Å; F787-W809 HydrophobicContact CZ-CB 4Å; N805-W809 PolarHBondContact O-N 3.44Å; N805-W809 VanDerWaalsContact O-N 3.08Å; N805-W809 VanDerWaalsContact OD1-CD1 3.32Å; A806-W809 PolarHBondContact O-N 2.87Å; E807-W809 PolarHBondContact O-N 2.99Å; W809-I813 HydrophobicContact CE3-CD1 4.07Å; W809-I813 HydrophobicContact CE3-CG1 4.39Å; W809-I813 WeakPolarHBondContact O-CB 3.46Å; W809-I813 WeakPolarHBondContact O-CD1 3.02Å; W809-I813 WeakPolarHBondContact O-CG1 3.49Å; W809-I813 PolarHBondContact O-N 3.37Å
810L89.1Confident87.7Confident2 Ų238 Ų381%0.0118%0.184CC..Hα-helixtrans-62.2-46.8179.6-77.6166000111.7V771 V773 L783 F787 A806 E807 I813 N814V771-L810 HydrophobicContact CG1-CD2 3.53Å; V773-L810 HydrophobicContact CG2-CD1 3.7Å; L783-L810 HydrophobicContact CD2-CD1 4.27Å; F787-L810 HydrophobicContact CB-CD1 4.44Å; F787-L810 HydrophobicContact CB-CD2 3.67Å; F787-L810 HydrophobicContact CB-CG 4.29Å; F787-L810 HydrophobicContact CD1-CD2 4.36Å; F787-L810 HydrophobicContact CD1-CG 4.28Å; F787-L810 HydrophobicContact CD2-CD2 4Å; F787-L810 HydrophobicContact CG-CD2 3.78Å; F787-L810 HydrophobicContact CG-CG 4.19Å; A806-L810 WeakPolarHBondContact O-CB 3.4Å; A806-L810 WeakPolarHBondContact O-CD1 3.48Å; A806-L810 VanDerWaalsContact O-CG 3.25Å; A806-L810 WeakPolarHBondContact O-CG 3.34Å; A806-L810 PolarHBondContact O-N 3.02Å; E807-L810 PolarHBondContact O-N 3.12Å; L810-I813 PolarHBondContact O-N 2.99Å; L810-N814 WeakPolarHBondContact O-CB 3.38Å; L810-N814 PolarHBondContact O-N 3.46Å; L810-N814 PolarHBondContact O-ND2 3.2Å
811Q88.1Confident87.4Confident62 Ų6242 Ų4229%0.2920%0.2SC..Hα-helixtrans-60.2-50.8177.9-174.1176.737.800111.1D685 E807 I813 N814 V815D685-Q811 HydrophobicContact CB-CG 4.26Å; E807-Q811 WeakPolarHBondContact O-CB 3.44Å; E807-Q811 PolarHBondContact O-N 2.9Å; Q811-I813 PolarHBondContact O-N 2.85Å; Q811-N814 PolarHBondContact O-N 3.34Å; Q811-V815 WeakPolarHBondContact O-CB 3.32Å; Q811-V815 VanDerWaalsContact O-CG2 3.29Å; Q811-V815 WeakPolarHBondContact O-CG2 3.46Å; Q811-V815 PolarHBondContact O-N 3.43Å
812C88.7Confident87.3Confident25 Ų2534.3 Ų34.317%0.16917%0.167CC..Hα-helixtrans-60-43.2179-72.30000112.5L717 I718 L742 E808 A816L717-C812 HydrophobicContact CD2-CB 4.08Å; L717-C812 WeakPolarHBondContact CD2-O 3.29Å; L717-C812 HydrophobicContact CG-CB 4.09Å; I718-C812 HydrophobicContact CB-CB 4.27Å; I718-C812 HydrophobicContact CG2-CB 3.63Å; L742-C812 HydrophobicContact CD2-CB 3.88Å; E808-C812 WeakPolarHBondContact O-CB 3.35Å; E808-C812 PolarHBondContact O-N 2.79Å; E808-C812 PolarHBondContact O-SG 2.98Å; E808-C812 VanDerWaalsContact O-SG 3.34Å; C812-A816 WeakPolarHBondContact O-CB 3.32Å; C812-A816 PolarHBondContact O-N 2.88Å
813I89.7Confident87Confident0 Ų035.6 Ų35.60%017%0.167CC..Hα-helixtrans-66.2-45.8178.5-67.2163.8000110.6L742 V771 F787 I789 W809 L810 Q811 V815 A816 V817L742-I813 HydrophobicContact CD2-CG1 4.06Å; V771-I813 HydrophobicContact CG2-CG2 3.8Å; F787-I813 HydrophobicContact CE2-CD1 3.76Å; F787-I813 HydrophobicContact CZ-CD1 4.12Å; I789-I813 HydrophobicContact CD1-CD1 3.93Å; I789-I813 HydrophobicContact CD1-CG2 4.23Å; W809-I813 HydrophobicContact CE3-CD1 4.07Å; W809-I813 HydrophobicContact CE3-CG1 4.39Å; W809-I813 WeakPolarHBondContact O-CB 3.46Å; W809-I813 WeakPolarHBondContact O-CD1 3.02Å; W809-I813 WeakPolarHBondContact O-CG1 3.49Å; W809-I813 PolarHBondContact O-N 3.37Å; L810-I813 PolarHBondContact O-N 2.99Å; Q811-I813 PolarHBondContact O-N 2.85Å; I813-V815 VanDerWaalsContact C-N 3.35Å; I813-V815 PolarHBondContact O-N 2.85Å; I813-A816 PolarHBondContact O-N 3.41Å; I813-V817 HydrophobicContact CG2-CG2 4.13Å; I813-V817 WeakPolarHBondContact O-CB 3.41Å; I813-V817 VanDerWaalsContact O-CG2 3.25Å; I813-V817 WeakPolarHBondContact O-CG2 3.38Å; I813-V817 PolarHBondContact O-N 3.22Å
814N89.3Confident86.8Confident20 Ų2036.1 Ų36.111%0.10717%0.17CC..Hα-helixtrans-60.9-44.5179.7-79.9-31.3000111.4D685 L686 L810 Q811 V817 A818D685-N814 HydrophobicContact CB-CB 4.26Å; D685-N814 PolarHBondContact OD2-ND2 2.79Å; L686-N814 HydrophobicContact CD2-CB 4.05Å; L686-N814 WeakPolarHBondContact CD2-O 3.44Å; L810-N814 WeakPolarHBondContact O-CB 3.38Å; L810-N814 PolarHBondContact O-N 3.46Å; L810-N814 PolarHBondContact O-ND2 3.2Å; Q811-N814 PolarHBondContact O-N 3.34Å; N814-V817 PolarHBondContact O-N 2.89Å; N814-A818 WeakPolarHBondContact O-CB 3.19Å; N814-A818 PolarHBondContact O-N 3.44Å
815V88.1Confident86.2Confident2 Ų230.7 Ų30.71%0.01215%0.151CC..Hα-helixtrans-59.6-47.6175169.10000111.1L599 L686 F699 M700 Q811 I813 V817 A818 Q819L599-V815 HydrophobicContact CD1-CG1 4.24Å; L599-V815 HydrophobicContact CD1-CG2 4.47Å; L599-V815 HydrophobicContact CD2-CG1 4.27Å; L686-V815 HydrophobicContact CD2-CG2 4.18Å; F699-V815 HydrophobicContact CB-CG2 4.04Å; F699-V815 HydrophobicContact CD1-CG1 4Å; F699-V815 HydrophobicContact CD1-CG2 3.84Å; F699-V815 HydrophobicContact CD2-CG2 4.46Å; F699-V815 HydrophobicContact CE1-CG1 4.49Å; F699-V815 HydrophobicContact CE1-CG2 4.43Å; F699-V815 HydrophobicContact CG-CG2 3.86Å; M700-V815 HydrophobicContact CE-CG1 3.45Å; M700-V815 VanDerWaalsContact CE-CG1 3.45Å; M700-V815 HydrophobicContact SD-CG1 4.43Å; Q811-V815 WeakPolarHBondContact O-CB 3.32Å; Q811-V815 VanDerWaalsContact O-CG2 3.29Å; Q811-V815 WeakPolarHBondContact O-CG2 3.46Å; Q811-V815 PolarHBondContact O-N 3.43Å; I813-V815 VanDerWaalsContact C-N 3.35Å; I813-V815 PolarHBondContact O-N 2.85Å; V815-V817 PolarHBondContact O-N 2.86Å; V815-A818 PolarHBondContact O-N 3.08Å; V815-Q819 WeakPolarHBondContact O-CB 3.29Å; V815-Q819 PolarHBondContact O-N 2.84Å
816A87.1Confident85.4Confident3 Ų332.7 Ų32.73%0.02516%0.156CC..Hα-helixtrans-67-36.2-179.300000112.9L717 L742 L765 C812 I813 Q819 A820L717-A816 HydrophobicContact CD2-CB 4.05Å; L742-A816 HydrophobicContact CD1-CB 4.31Å; L742-A816 HydrophobicContact CD2-CB 4.07Å; L742-A816 HydrophobicContact CG-CB 4.4Å; L765-A816 HydrophobicContact CD1-CB 3.52Å; C812-A816 WeakPolarHBondContact O-CB 3.32Å; C812-A816 PolarHBondContact O-N 2.88Å; I813-A816 PolarHBondContact O-N 3.41Å; A816-Q819 PolarHBondContact O-N 3.18Å; A816-A820 WeakPolarHBondContact O-CB 3.37Å; A816-A820 PolarHBondContact O-N 3.11Å
817V88.5Confident84.5Confident12 Ų1238.5 Ų38.57%0.07318%0.183CC..Hα-helixtrans-66.2-44.1173.9169.90000111.3L765 V768 I813 N814 V815 Q819 A820 K821L765-V817 HydrophobicContact CB-CG2 4.13Å; L765-V817 HydrophobicContact CD2-CG2 4.2Å; V768-V817 HydrophobicContact CB-CG1 4.22Å; V768-V817 HydrophobicContact CB-CG2 3.88Å; V768-V817 HydrophobicContact CG1-CG1 4.33Å; V768-V817 HydrophobicContact CG1-CG2 3.94Å; V768-V817 HydrophobicContact CG2-CG2 4.16Å; I813-V817 HydrophobicContact CG2-CG2 4.13Å; I813-V817 WeakPolarHBondContact O-CB 3.41Å; I813-V817 VanDerWaalsContact O-CG2 3.25Å; I813-V817 WeakPolarHBondContact O-CG2 3.38Å; I813-V817 PolarHBondContact O-N 3.22Å; N814-V817 PolarHBondContact O-N 2.89Å; V815-V817 PolarHBondContact O-N 2.86Å; V817-Q819 VanDerWaalsContact C-N 3.3Å; V817-Q819 PolarHBondContact O-N 2.97Å; V817-A820 PolarHBondContact O-N 3.08Å; V817-K821 HydrophobicContact CG1-CD 4.28Å; V817-K821 WeakPolarHBondContact O-CG 3.43Å; V817-K821 PolarHBondContact O-N 3Å
818A86.8Confident83.3Confident11 Ų1138.5 Ų38.59%0.09119%0.194CC..Hα-helixtrans-61-43.2175.900000110.9L599 L686 N814 V815 K821 E822L599-A818 HydrophobicContact CB-CB 4.35Å; L599-A818 HydrophobicContact CD1-CB 4.4Å; L599-A818 HydrophobicContact CD2-CB 4.45Å; L686-A818 HydrophobicContact CD2-CB 3.97Å; N814-A818 WeakPolarHBondContact O-CB 3.19Å; N814-A818 PolarHBondContact O-N 3.44Å; V815-A818 PolarHBondContact O-N 3.08Å; A818-K821 PolarHBondContact O-N 3.4Å; A818-E822 WeakPolarHBondContact O-CB 3.44Å; A818-E822 PolarHBondContact O-N 3.05Å
819Q85.7Confident81.7Confident17 Ų1738.3 Ų38.38%0.07920%0.198CC..Hα-helixtrans-64-42.3176.9-166.9177.412.900112.9L599 N711 V815 A816 V817 E822 R823L599-Q819 HydrophobicContact CD2-CB 3.75Å; L599-Q819 HydrophobicContact CD2-CG 4.3Å; N711-Q819 PolarHBondContact ND2-NE2 2.94Å; N711-Q819 PolarHBondContact OD1-NE2 3.48Å; V815-Q819 WeakPolarHBondContact O-CB 3.29Å; V815-Q819 PolarHBondContact O-N 2.84Å; A816-Q819 PolarHBondContact O-N 3.18Å; V817-Q819 VanDerWaalsContact C-N 3.3Å; V817-Q819 PolarHBondContact O-N 2.97Å; Q819-E822 PolarHBondContact O-N 3.34Å; Q819-R823 WeakPolarHBondContact O-CG 3.4Å; Q819-R823 PolarHBondContact O-N 3.28Å
820A85Confident79.9Confident4 Ų443.3 Ų43.33%0.03323%0.228CC..Hα-helixtrans-60-45.8176.300000112N745 L765 A816 V817 E822 R823 E824N745-A820 WeakPolarHBondContact OD1-CB 3.07Å; L765-A820 HydrophobicContact CB-CB 4.04Å; A816-A820 WeakPolarHBondContact O-CB 3.37Å; A816-A820 PolarHBondContact O-N 3.11Å; V817-A820 PolarHBondContact O-N 3.08Å; A820-E822 VanDerWaalsContact C-N 3.33Å; A820-E822 PolarHBondContact O-N 2.76Å; A820-R823 PolarHBondContact O-N 2.8Å; A820-E824 PolarHBondContact O-N 3.41Å
821K84.5Confident77.7Confident90 Ų9053.1 Ų53.139%0.39127%0.267SS..Hα-helixtrans-64.6-37177.5-71.8178.6179.5177.10112.6V768 V817 A818 E824 S825V768-K821 VanDerWaalsContact O-CE 3.31Å; V768-K821 WeakPolarHBondContact O-CE 3.43Å; V768-K821 PolarHBondContact O-NZ 3.42Å; V817-K821 HydrophobicContact CG1-CD 4.28Å; V817-K821 WeakPolarHBondContact O-CG 3.43Å; V817-K821 PolarHBondContact O-N 3Å; A818-K821 PolarHBondContact O-N 3.4Å; K821-E824 PolarHBondContact O-N 2.93Å; K821-S825 PolarHBondContact O-N 2.88Å
822E84.1Confident75.2Confident4 Ų460 Ų602%0.01931%0.305CS..Hα-helixtrans-71.7-31.5176.5-174.763.4-178.900112.6S601 K602 S603 A818 Q819 A820 S825 R826S601-E822 WeakPolarHBondContact CA-OE1 3.14Å; S601-E822 WeakPolarHBondContact CB-OE1 3.42Å; S601-E822 PolarHBondContact N-OE1 3.48Å; S601-E822 PolarHBondContact OG-OE1 3.07Å; K602-E822 PolarHBondContact N-OE1 2.97Å; S603-E822 VanDerWaalsContact CB-OE2 3.29Å; S603-E822 WeakPolarHBondContact CB-OE2 3.39Å; S603-E822 PolarHBondContact OG-OE2 2.91Å; A818-E822 WeakPolarHBondContact O-CB 3.44Å; A818-E822 PolarHBondContact O-N 3.05Å; Q819-E822 PolarHBondContact O-N 3.34Å; A820-E822 VanDerWaalsContact C-N 3.33Å; A820-E822 PolarHBondContact O-N 2.76Å; E822-S825 WeakPolarHBondContact CA-OG 3.17Å; E822-S825 PolarHBondContact O-OG 3.18Å; E822-S825 PolarHBondContact OE2-OG 3.09Å; E822-R826 VanDerWaalsContact O-CG 3.26Å; E822-R826 WeakPolarHBondContact O-CG 3.37Å; E822-R826 PolarHBondContact O-N 3.09Å; E822-R826 VanDerWaalsContact O-N 3.1Å
823R79.7Confident74.5Confident85 Ų8561.8 Ų61.832%0.32131%0.312SS..Hα-helixtrans-66.3-45.7171-72.7-180-173.6-174.62.3111.2N711 Q819 A820 S825 R826 E827N711-R823 PolarHBondContact OD1-NH2 3.21Å; Q819-R823 WeakPolarHBondContact O-CG 3.4Å; Q819-R823 PolarHBondContact O-N 3.28Å; A820-R823 PolarHBondContact O-N 2.8Å; R823-S825 VanDerWaalsContact C-N 3.31Å; R823-S825 PolarHBondContact O-N 3.34Å; R823-R826 WeakPolarHBondContact O-CB 3.29Å; R823-R826 PolarHBondContact O-N 3.45Å; R823-E827 WeakPolarHBondContact O-CG 3.28Å; R823-E827 PolarHBondContact O-N 3.25Å
824E80.1Confident73.7Confident90 Ų9065.1 Ų65.142%0.42133%0.328SS..Hα-helixtrans-60-40.3175.2-74.3-173.1157.800112.3S766 A820 K821 R826 E827 A828S766-E824 WeakPolarHBondContact CB-OE1 3.44Å; S766-E824 WeakPolarHBondContact CB-OE2 3.47Å; S766-E824 PolarHBondContact OG-OE1 3.45Å; S766-E824 VanDerWaalsContact OG-OE1 3.11Å; A820-E824 PolarHBondContact O-N 3.41Å; K821-E824 PolarHBondContact O-N 2.93Å; E824-R826 VanDerWaalsContact C-N 3.34Å; E824-R826 PolarHBondContact O-N 3.48Å; E824-E827 PolarHBondContact O-N 2.93Å; E824-A828 WeakPolarHBondContact O-CB 3.29Å; E824-A828 PolarHBondContact O-N 3.27Å
825S75.1Confident72.9Confident38 Ų3867.6 Ų67.627%0.26634%0.34SS..Hα-helixtrans-65.1-37.1177.277.70000112.3K821 E822 R823 T829K821-S825 PolarHBondContact O-N 2.88Å; E822-S825 WeakPolarHBondContact CA-OG 3.17Å; E822-S825 PolarHBondContact O-OG 3.18Å; E822-S825 PolarHBondContact OE2-OG 3.09Å; R823-S825 VanDerWaalsContact C-N 3.31Å; R823-S825 PolarHBondContact O-N 3.34Å; S825-T829 PolarHBondContact O-N 3.28Å; S825-T829 PolarHBondContact O-OG1 3.22Å
826R70.5Confident72Confident81 Ų8171.4 Ų71.431%0.30636%0.36SS..Hα-helixtrans-66.3-45.1174.1-73.4172.7179.1-166.42.2111.6H596 S601 K602 E822 R823 E824 T829 T830H596-R826 PolarHBondContact O-NH1 3.04Å; H596-R826 PolarHBondContact O-NH2 3.43Å; H596-R826 VanDerWaalsContact O-NH2 3.14Å; S601-R826 PolarHBondContact OG-NE 3.02Å; S601-R826 VanDerWaalsContact OG-NE 3.17Å; S601-R826 PolarHBondContact OG-NH2 3.1Å; K602-R826 HydrophobicContact CD-CG 4.28Å; E822-R826 VanDerWaalsContact O-CG 3.26Å; E822-R826 WeakPolarHBondContact O-CG 3.37Å; E822-R826 PolarHBondContact O-N 3.09Å; E822-R826 VanDerWaalsContact O-N 3.1Å; R823-R826 WeakPolarHBondContact O-CB 3.29Å; R823-R826 PolarHBondContact O-N 3.45Å; E824-R826 VanDerWaalsContact C-N 3.34Å; E824-R826 PolarHBondContact O-N 3.48Å; R826-T829 PolarHBondContact O-N 3.48Å; R826-T829 PolarHBondContact O-OG1 3.45Å; R826-T830 PolarHBondContact O-N 3.29Å; R826-T830 PolarHBondContact O-OG1 3.21Å
827E69.6Low71Confident121 Ų12175.7 Ų75.757%0.56538%0.381SS*.Hα-helixtrans-64.8-45.5178.6-71.5172-166.400111.3R823 E824 T829 T830 Y831R823-E827 WeakPolarHBondContact O-CG 3.28Å; R823-E827 PolarHBondContact O-N 3.25Å; E824-E827 PolarHBondContact O-N 2.93Å; E827-T829 VanDerWaalsContact C-N 3.27Å; E827-T829 PolarHBondContact O-N 3.17Å; E827-T830 PolarHBondContact O-N 2.92Å; E827-Y831 VanDerWaalsContact O-CD2 3.23Å; E827-Y831 WeakPolarHBondContact O-CD2 3.23Å
828A61Low69.9Low64 Ų6479.9 Ų79.953%0.52940%0.401SS..Hα-helixtrans-61.5-30.6178.400000114E824 T830E824-A828 WeakPolarHBondContact O-CB 3.29Å; E824-A828 PolarHBondContact O-N 3.27Å; A828-T830 VanDerWaalsContact C-N 3.34Å
829T54.7Low68.7Low72 Ų7284.9 Ų84.944%0.44242%0.423SS..THydrogen-bonded Turntrans-83.8-3.6176.135.10000114.3K602 S825 R826 E827K602-T829 PolarHBondContact NZ-OG1 2.94Å; S825-T829 PolarHBondContact O-N 3.28Å; S825-T829 PolarHBondContact O-OG1 3.22Å; R826-T829 PolarHBondContact O-N 3.48Å; R826-T829 PolarHBondContact O-OG1 3.45Å; E827-T829 VanDerWaalsContact C-N 3.27Å; E827-T829 PolarHBondContact O-N 3.17Å
830T52.6Low67.3Low106 Ų10690.1 Ų90.165%0.6545%0.45SS*.THydrogen-bonded Turntrans-92.7-12.4178-45.20000112R826 E827 A828R826-T830 PolarHBondContact O-N 3.29Å; R826-T830 PolarHBondContact O-OG1 3.21Å; E827-T830 PolarHBondContact O-N 2.92Å; A828-T830 VanDerWaalsContact C-N 3.34Å
831Y43.3Very low65.9Low208 Ų20897.3 Ų97.382%0.81648%0.484SS*.  trans-106.64.1179.9-67.3-77.9000114.4E827E827-Y831 VanDerWaalsContact O-CD2 3.23Å; E827-Y831 WeakPolarHBondContact O-CD2 3.23Å
832L35.3Very low64.2Low208 Ų20897.9 Ų97.9100%1.08949%0.493SS*.  trans-110.80168.5-80.2164.1000108.1

Retrieved 832 of 832 residues in 407.2 ms (Link to these results)

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