A0A5K4FBL3_SCHMA Loading...

AAA domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FBL3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 848 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
1M82.6Confident84.7Confident37 Ų3755.7 Ų55.718%0.18230%0.302CS..  0-63.80-175.2-175.866.700111.9D3 L4 V5 L24 F36 D42 L45 L46M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 3.26Å; M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 2.8Å; M1-L4 VanDerWaalsContact O-N 3.13Å; M1-V5 PolarHBondContact O-N 3.11Å; M1-V5 VanDerWaalsContact O-N 3.15Å; M1-L24 HydrophobicContact CG-CD1 3.99Å; M1-L24 HydrophobicContact CG-CD2 4.02Å; M1-L24 HydrophobicContact SD-CD1 4.27Å; M1-F36 HydrophobicContact CB-CE2 3.95Å; M1-F36 HydrophobicContact CB-CZ 4.47Å; M1-D42 HydrophobicContact CE-CB 3.94Å; M1-D42 HydrophobicContact SD-CB 4.06Å; M1-L45 HydrophobicContact CE-CD2 4.22Å; M1-L46 HydrophobicContact SD-CB 4.04Å
2I85.7Confident83.2Confident66 Ų6654.2 Ų54.234%0.33830%0.296SS..Hα-helixtrans-57.9-43.9-175.3-63.1172.6000111.8L4 V5 N6 L45 Y50I2-L4 VanDerWaalsContact C-N 3.33Å; I2-L4 PolarHBondContact O-N 2.94Å; I2-V5 PolarHBondContact O-N 2.94Å; I2-V5 VanDerWaalsContact O-N 3.11Å; I2-N6 PolarHBondContact O-N 2.97Å; I2-L45 HydrophobicContact CD1-CD2 4.47Å; I2-Y50 HydrophobicContact CG1-CE2 4.11Å
3D86.6Confident81.9Confident118 Ų11859.5 Ų59.563%0.63132%0.324SS*.Hα-helixtrans-59.1-42.9177.4-56.4-32.3000112.1M1 V5 N6 D7M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 3.26Å; D3-V5 VanDerWaalsContact C-N 3.3Å; D3-V5 PolarHBondContact O-N 3.05Å; D3-N6 PolarHBondContact O-N 3.27Å; D3-D7 WeakPolarHBondContact O-CB 3.27Å; D3-D7 PolarHBondContact O-N 2.91Å
4L85.6Confident81.5Confident26 Ų2663.4 Ų63.414%0.13634%0.336CS..Hα-helixtrans-60-39.8175.7175.269.1000112.2M1 I2 F8 I17 C20 I21 L24 F36M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 2.8Å; M1-L4 VanDerWaalsContact O-N 3.13Å; I2-L4 VanDerWaalsContact C-N 3.33Å; I2-L4 PolarHBondContact O-N 2.94Å; L4-F8 PolarHBondContact O-N 3.23Å; L4-I17 HydrophobicContact CD1-CG2 4.28Å; L4-C20 HydrophobicContact CD1-CB 3.55Å; L4-C20 HydrophobicContact CD2-CB 3.7Å; L4-C20 HydrophobicContact CG-CB 4.23Å; L4-I21 HydrophobicContact CD2-CD1 4.48Å; L4-I21 HydrophobicContact CG-CD1 4.16Å; L4-L24 HydrophobicContact CD2-CD2 4.26Å; L4-F36 HydrophobicContact CD2-CE1 4.3Å; L4-F36 HydrophobicContact CD2-CZ 4.28Å
5V86.1Confident81.4Confident0 Ų068.1 Ų68.10%036%0.355CS..Hα-helixtrans-69-44.7177.1178.40000110.4M1 I2 D3 D7 F8 L9 I21 L24 Y50 I54M1-V5 PolarHBondContact O-N 3.11Å; M1-V5 VanDerWaalsContact O-N 3.15Å; I2-V5 PolarHBondContact O-N 2.94Å; I2-V5 VanDerWaalsContact O-N 3.11Å; D3-V5 VanDerWaalsContact C-N 3.3Å; D3-V5 PolarHBondContact O-N 3.05Å; V5-D7 VanDerWaalsContact C-N 3.31Å; V5-D7 PolarHBondContact O-N 2.82Å; V5-F8 WeakPolarHBondContact O-CB 3.44Å; V5-F8 PolarHBondContact O-N 2.96Å; V5-L9 HydrophobicContact CG1-CD1 4.02Å; V5-L9 HydrophobicContact CG1-CG 4.32Å; V5-L9 VanDerWaalsContact O-CG 3.26Å; V5-L9 WeakPolarHBondContact O-CG 3.42Å; V5-L9 PolarHBondContact O-N 3.16Å; V5-I21 HydrophobicContact CG2-CD1 4.49Å; V5-L24 HydrophobicContact CG2-CD2 3.87Å; V5-Y50 HydrophobicContact CB-CD1 4.43Å; V5-Y50 HydrophobicContact CG1-CD1 3.84Å; V5-Y50 HydrophobicContact CG1-CG 4.42Å; V5-I54 HydrophobicContact CG1-CD1 4.27Å; V5-I54 HydrophobicContact CG1-CG1 3.99Å; V5-I54 HydrophobicContact CG2-CD1 4.08Å
6N87.5Confident81.5Confident72 Ų7271.8 Ų71.839%0.38538%0.375SS..Hα-helixtrans-62.6-38.8176.5-69.5-25.6000112I2 D3 F8 L9 T10I2-N6 PolarHBondContact O-N 2.97Å; D3-N6 PolarHBondContact O-N 3.27Å; N6-F8 VanDerWaalsContact C-N 3.33Å; N6-F8 PolarHBondContact O-N 3.39Å; N6-L9 PolarHBondContact O-N 2.96Å; N6-T10 WeakPolarHBondContact O-CG2 3.37Å; N6-T10 PolarHBondContact O-N 3.31Å; N6-T10 VanDerWaalsContact O-N 3.1Å; N6-T10 PolarHBondContact O-OG1 3.43Å
7D86.1Confident81.6Confident77 Ų7768.6 Ų68.641%0.41236%0.359SS..Hα-helixtrans-63.5-39.4175.3-74.5-17.6000111.3D3 V5 T10 N11 I17D3-D7 WeakPolarHBondContact O-CB 3.27Å; D3-D7 PolarHBondContact O-N 2.91Å; V5-D7 VanDerWaalsContact C-N 3.31Å; V5-D7 PolarHBondContact O-N 2.82Å; D7-T10 WeakPolarHBondContact CA-OG1 3.11Å; D7-T10 PolarHBondContact O-N 2.96Å; D7-T10 PolarHBondContact O-OG1 3.06Å; D7-N11 WeakPolarHBondContact O-CB 3.38Å; D7-N11 PolarHBondContact O-N 3.25Å; D7-I17 HydrophobicContact CB-CD1 4.07Å
8F86.8Confident81.8Confident0 Ų065.2 Ų65.20%034%0.341CS..Hα-helixtrans-67.1-40.8173.8174.7-104.9000113L4 V5 N6 T10 I17 I18 I21 I54 H57 A58 M70 L73L4-F8 PolarHBondContact O-N 3.23Å; V5-F8 WeakPolarHBondContact O-CB 3.44Å; V5-F8 PolarHBondContact O-N 2.96Å; N6-F8 VanDerWaalsContact C-N 3.33Å; N6-F8 PolarHBondContact O-N 3.39Å; F8-T10 PolarHBondContact O-N 3.48Å; F8-I17 HydrophobicContact CB-CG2 3.62Å; F8-I17 HydrophobicContact CD2-CG2 4.04Å; F8-I17 HydrophobicContact CG-CG2 4.33Å; F8-I18 HydrophobicContact CE2-CG1 4.33Å; F8-I21 HydrophobicContact CB-CD1 3.8Å; F8-I21 HydrophobicContact CB-CG1 3.82Å; F8-I21 HydrophobicContact CD1-CD1 4.36Å; F8-I21 HydrophobicContact CD1-CG1 4.37Å; F8-I21 HydrophobicContact CD2-CG1 3.83Å; F8-I21 HydrophobicContact CG-CD1 4.01Å; F8-I21 HydrophobicContact CG-CG1 3.73Å; F8-I54 HydrophobicContact CD1-CG2 4.46Å; F8-I54 HydrophobicContact CE1-CG2 3.99Å; F8-H57 AromaticContact CD1-ND1 3.95Å; F8-H57 HydrophobicContact CE1-CB 4.32Å; F8-H57 AromaticContact CE1-ND1 3.43Å; F8-H57 WeakPolarHBondContact CE1-ND1 3.04Å; F8-H57 AromaticContact CZ-ND1 3.76Å; F8-H57 PolarHBondContact O-CE1 3.02Å; F8-A58 HydrophobicContact CZ-CB 4.45Å; F8-M70 HydrophobicContact CE2-CE 3.71Å; F8-M70 HydrophobicContact CE2-SD 4.2Å; F8-M70 HydrophobicContact CZ-CE 4.25Å; F8-M70 HydrophobicContact CZ-SD 4.27Å; F8-L73 HydrophobicContact CE1-CD2 4.45Å; F8-L73 HydrophobicContact CE2-CD2 3.54Å; F8-L73 HydrophobicContact CZ-CD2 3.37Å
9L85.1Confident82.1Confident49 Ų4969.9 Ų69.926%0.25736%0.359SS..Hα-helixtrans-69.5-15.9178.2-66.5174.4000113V5 N6 Q53 H57V5-L9 HydrophobicContact CG1-CD1 4.02Å; V5-L9 HydrophobicContact CG1-CG 4.32Å; V5-L9 VanDerWaalsContact O-CG 3.26Å; V5-L9 WeakPolarHBondContact O-CG 3.42Å; V5-L9 PolarHBondContact O-N 3.16Å; N6-L9 PolarHBondContact O-N 2.96Å; L9-Q53 HydrophobicContact CD1-CB 4.3Å; L9-Q53 HydrophobicContact CD2-CB 4.35Å; L9-H57 HydrophobicContact CD2-CB 3.55Å; L9-H57 PolarHBondContact O-NE2 3.19Å
10T83.9Confident82.3Confident102 Ų10269.3 Ų69.363%0.62636%0.36SS*.Hα-helixtrans-108.2-32.5-179.952.70000113.5N6 D7 F8N6-T10 WeakPolarHBondContact O-CG2 3.37Å; N6-T10 PolarHBondContact O-N 3.31Å; N6-T10 VanDerWaalsContact O-N 3.1Å; N6-T10 PolarHBondContact O-OG1 3.43Å; D7-T10 WeakPolarHBondContact CA-OG1 3.11Å; D7-T10 PolarHBondContact O-N 2.96Å; D7-T10 PolarHBondContact O-OG1 3.06Å; F8-T10 PolarHBondContact O-N 3.48Å
11N75.3Confident82.6Confident66 Ų6666 Ų6635%0.35334%0.342SS..  trans-120.2100.7-179.1-63-62.8000110.8D7 K14 I17D7-N11 WeakPolarHBondContact O-CB 3.38Å; D7-N11 PolarHBondContact O-N 3.25Å; N11-K14 HydrophobicContact CB-CD 4.43Å; N11-I17 HydrophobicContact CB-CD1 4.19Å
12T66.6Low82.9Confident37 Ų3766.3 Ų66.323%0.22734%0.343CS..THydrogen-bonded Turntrans-74.9-27.8-17948.30000113.9K14 H57 T61 M70T12-K14 PolarHBondContact O-N 3.49Å; T12-H57 VanDerWaalsContact CG2-CE1 3.45Å; T12-H57 WeakPolarHBondContact CG2-CE1 3.42Å; T12-T61 HydrophobicContact CG2-CG2 3.67Å; T12-M70 HydrophobicContact CG2-CE 4.37Å; T12-M70 WeakPolarHBondContact O-CE 3.32Å
13D67.3Low82.9Confident124 Ų12463.5 Ų63.566%0.66333%0.33SS*.THydrogen-bonded Turntrans-100.216.3-160.4-59.1-11.1000114.5
14K76Confident83Confident113 Ų11357.9 Ų57.949%0.49130%0.3SS..  trans-102.6106.7-179.3-70.8-178.7177.9175.40111.4N11 T12 D16 I17 I18N11-K14 HydrophobicContact CB-CD 4.43Å; T12-K14 PolarHBondContact O-N 3.49Å; K14-D16 PolarHBondContact O-N 3.15Å; K14-D16 VanDerWaalsContact O-N 3.15Å; K14-I17 HydrophobicContact CB-CB 4.16Å; K14-I17 HydrophobicContact CB-CD1 3.81Å; K14-I17 HydrophobicContact CB-CG1 3.78Å; K14-I17 HydrophobicContact CD-CD1 3.62Å; K14-I17 HydrophobicContact CD-CG1 4.21Å; K14-I17 HydrophobicContact CG-CD1 4.28Å; K14-I17 WeakPolarHBondContact O-CB 3.48Å; K14-I17 PolarHBondContact O-N 2.94Å; K14-I18 PolarHBondContact O-N 3.45Å; K14-I18 VanDerWaalsContact O-N 3.15Å
15E80Confident83.2Confident134 Ų13456.6 Ų56.663%0.62629%0.293SS*.Hα-helixtrans-46.6-43.3174.2-77.6-174.2172.600113I17 I18 K19 E69E15-I17 VanDerWaalsContact C-N 3.33Å; E15-I17 PolarHBondContact O-N 3.29Å; E15-I18 PolarHBondContact O-N 3.46Å; E15-K19 WeakPolarHBondContact O-CB 3.49Å; E15-K19 PolarHBondContact O-N 3.44Å; E15-E69 HydrophobicContact CG-CG 4.38Å; E15-E69 VanDerWaalsContact CG-OE1 3.3Å; E15-E69 WeakPolarHBondContact CG-OE1 3.47Å; E15-E69 VanDerWaalsContact CG-OE2 3.25Å; E15-E69 WeakPolarHBondContact CG-OE2 3.4Å
16D82.7Confident83.4Confident127 Ų12757.3 Ų57.368%0.67930%0.296SS*.Hα-helixtrans-62.9-38.2-179.7-72.5-33.9000112.8K14 C20K14-D16 PolarHBondContact O-N 3.15Å; K14-D16 VanDerWaalsContact O-N 3.15Å; D16-C20 PolarHBondContact O-N 3.46Å; D16-C20 PolarHBondContact O-SG 3.36Å
17I84.1Confident83.4Confident18 Ų1855.8 Ų55.89%0.09229%0.286CS..Hα-helixtrans-68.8-46.7177.7-61.6-177.4000109.1L4 D7 F8 N11 K14 E15 K19 C20 I21L4-I17 HydrophobicContact CD1-CG2 4.28Å; D7-I17 HydrophobicContact CB-CD1 4.07Å; F8-I17 HydrophobicContact CB-CG2 3.62Å; F8-I17 HydrophobicContact CD2-CG2 4.04Å; F8-I17 HydrophobicContact CG-CG2 4.33Å; N11-I17 HydrophobicContact CB-CD1 4.19Å; K14-I17 HydrophobicContact CB-CB 4.16Å; K14-I17 HydrophobicContact CB-CD1 3.81Å; K14-I17 HydrophobicContact CB-CG1 3.78Å; K14-I17 HydrophobicContact CD-CD1 3.62Å; K14-I17 HydrophobicContact CD-CG1 4.21Å; K14-I17 HydrophobicContact CG-CD1 4.28Å; K14-I17 WeakPolarHBondContact O-CB 3.48Å; K14-I17 PolarHBondContact O-N 2.94Å; E15-I17 VanDerWaalsContact C-N 3.33Å; E15-I17 PolarHBondContact O-N 3.29Å; I17-K19 VanDerWaalsContact C-N 3.28Å; I17-K19 PolarHBondContact O-N 3.01Å; I17-C20 WeakPolarHBondContact O-CB 3.42Å; I17-C20 PolarHBondContact O-N 2.84Å; I17-C20 VanDerWaalsContact O-N 3.13Å; I17-I21 HydrophobicContact CG2-CG1 4.3Å; I17-I21 WeakPolarHBondContact O-CG1 3.35Å; I17-I21 PolarHBondContact O-N 3.2Å
18I85Confident83.3Confident7 Ų756.3 Ų56.34%0.03629%0.293CS..Hα-helixtrans-58.8-42.3178.3-63.1172.9000110.7F8 K14 E15 I21 K22 E69 M70 L73F8-I18 HydrophobicContact CE2-CG1 4.33Å; K14-I18 PolarHBondContact O-N 3.45Å; K14-I18 VanDerWaalsContact O-N 3.15Å; E15-I18 PolarHBondContact O-N 3.46Å; I18-I21 PolarHBondContact O-N 3.39Å; I18-K22 WeakPolarHBondContact O-CG 3.39Å; I18-K22 PolarHBondContact O-N 3.16Å; I18-E69 HydrophobicContact CD1-CB 3.68Å; I18-E69 WeakPolarHBondContact CD1-OE2 3.44Å; I18-M70 HydrophobicContact CD1-CE 3.76Å; I18-M70 HydrophobicContact CD1-SD 4.5Å; I18-M70 HydrophobicContact CG1-CE 4.04Å; I18-L73 HydrophobicContact CG2-CB 4.16Å; I18-L73 HydrophobicContact CG2-CD1 4.35Å; I18-L73 HydrophobicContact CG2-CD2 4.37Å
19K86.5Confident83.2Confident156 Ų15657.6 Ų57.668%0.67830%0.3SS*.Hα-helixtrans-62.5-42.4176.4-172179179.9-179.10112.2E15 I17 K22 G23E15-K19 WeakPolarHBondContact O-CB 3.49Å; E15-K19 PolarHBondContact O-N 3.44Å; I17-K19 VanDerWaalsContact C-N 3.28Å; I17-K19 PolarHBondContact O-N 3.01Å; K19-K22 PolarHBondContact O-N 3.31Å; K19-G23 PolarHBondContact O-N 2.99Å
20C86.4Confident82.9Confident56 Ų5660.1 Ų60.138%0.37831%0.309SS..Hα-helixtrans-64.6-40.2174.7-69.20000111.9L4 D16 I17 G23 L24L4-C20 HydrophobicContact CD1-CB 3.55Å; L4-C20 HydrophobicContact CD2-CB 3.7Å; L4-C20 HydrophobicContact CG-CB 4.23Å; D16-C20 PolarHBondContact O-N 3.46Å; D16-C20 PolarHBondContact O-SG 3.36Å; I17-C20 WeakPolarHBondContact O-CB 3.42Å; I17-C20 PolarHBondContact O-N 2.84Å; I17-C20 VanDerWaalsContact O-N 3.13Å; C20-G23 PolarHBondContact O-N 3.02Å; C20-L24 WeakPolarHBondContact O-CB 3.41Å; C20-L24 PolarHBondContact O-N 3.33Å
21I88Confident82.5Confident0 Ų060.1 Ų60.10%030%0.302CS..Hα-helixtrans-63.7-43.8175-66.6-68.2000111L4 V5 F8 I17 I18 G23 L24 V25 I54 L73L4-I21 HydrophobicContact CD2-CD1 4.48Å; L4-I21 HydrophobicContact CG-CD1 4.16Å; V5-I21 HydrophobicContact CG2-CD1 4.49Å; F8-I21 HydrophobicContact CB-CD1 3.8Å; F8-I21 HydrophobicContact CB-CG1 3.82Å; F8-I21 HydrophobicContact CD1-CD1 4.36Å; F8-I21 HydrophobicContact CD1-CG1 4.37Å; F8-I21 HydrophobicContact CD2-CG1 3.83Å; F8-I21 HydrophobicContact CG-CD1 4.01Å; F8-I21 HydrophobicContact CG-CG1 3.73Å; I17-I21 HydrophobicContact CG2-CG1 4.3Å; I17-I21 WeakPolarHBondContact O-CG1 3.35Å; I17-I21 PolarHBondContact O-N 3.2Å; I18-I21 PolarHBondContact O-N 3.39Å; I21-G23 PolarHBondContact O-N 2.96Å; I21-L24 PolarHBondContact O-N 3.17Å; I21-V25 HydrophobicContact CG2-CG1 4.23Å; I21-V25 VanDerWaalsContact O-CG2 3.29Å; I21-V25 WeakPolarHBondContact O-CG2 3.09Å; I21-V25 PolarHBondContact O-N 2.94Å; I21-I54 HydrophobicContact CD1-CD1 4.43Å; I21-I54 HydrophobicContact CG2-CG2 3.76Å; I21-L73 HydrophobicContact CG2-CD1 4.08Å; I21-L73 HydrophobicContact CG2-CD2 4.46Å
22K89.3Confident82.4Confident45 Ų4564.8 Ų64.820%0.19633%0.327CS..Hα-helixtrans-57.6-37.3172.5-73.9-177.1178.9178.40112.2I18 K19 H26 S72 L73 Y76I18-K22 WeakPolarHBondContact O-CG 3.39Å; I18-K22 PolarHBondContact O-N 3.16Å; K19-K22 PolarHBondContact O-N 3.31Å; K22-H26 PolarHBondContact O-N 3.49Å; K22-S72 PolarHBondContact NZ-OG 3.37Å; K22-L73 HydrophobicContact CG-CD1 3.69Å; K22-Y76 HydrophobicContact CB-CD1 3.87Å; K22-Y76 HydrophobicContact CB-CD2 4.44Å; K22-Y76 HydrophobicContact CB-CE1 3.63Å; K22-Y76 HydrophobicContact CB-CE2 4.21Å; K22-Y76 HydrophobicContact CB-CG 4.27Å; K22-Y76 HydrophobicContact CD-CD1 4.28Å; K22-Y76 HydrophobicContact CD-CD2 3.84Å; K22-Y76 HydrophobicContact CD-CE2 4.24Å; K22-Y76 HydrophobicContact CD-CG 3.85Å; K22-Y76 HydrophobicContact CG-CD1 3.67Å; K22-Y76 HydrophobicContact CG-CD2 4.14Å; K22-Y76 HydrophobicContact CG-CE1 4Å; K22-Y76 HydrophobicContact CG-CE2 4.41Å; K22-Y76 HydrophobicContact CG-CG 3.75Å; K22-Y76 WeakPolarHBondContact O-CE1 3.46Å; K22-Y76 PolarHBondContact O-OH 3.1Å
23G86.6Confident82.6Confident6 Ų669.1 Ų69.16%0.06234%0.339CS..Hα-helixtrans-65.4-41172.200000112.8K19 C20 I21K19-G23 PolarHBondContact O-N 2.99Å; C20-G23 PolarHBondContact O-N 3.02Å; I21-G23 PolarHBondContact O-N 2.96Å
24L88.4Confident82.7Confident0 Ų063.7 Ų63.70%031%0.31CS..Hα-helixtrans-72.6-37.5-174.8-174.864000112.8M1 L4 V5 C20 I21 L29 L34 F36 L46M1-L24 HydrophobicContact CG-CD1 3.99Å; M1-L24 HydrophobicContact CG-CD2 4.02Å; M1-L24 HydrophobicContact SD-CD1 4.27Å; L4-L24 HydrophobicContact CD2-CD2 4.26Å; V5-L24 HydrophobicContact CG2-CD2 3.87Å; C20-L24 WeakPolarHBondContact O-CB 3.41Å; C20-L24 PolarHBondContact O-N 3.33Å; I21-L24 PolarHBondContact O-N 3.17Å; L24-L29 VanDerWaalsContact O-CD1 3.23Å; L24-L29 WeakPolarHBondContact O-CD1 3.49Å; L24-L34 HydrophobicContact CB-CD2 4.1Å; L24-L34 HydrophobicContact CD1-CD1 4.11Å; L24-L34 HydrophobicContact CD1-CD2 4.42Å; L24-F36 HydrophobicContact CD1-CZ 4.33Å; L24-L46 HydrophobicContact CD1-CD2 3.97Å; L24-L46 HydrophobicContact CD2-CD1 3.81Å; L24-L46 HydrophobicContact CG-CD1 3.95Å; L24-L46 HydrophobicContact CG-CD2 3.78Å; L24-L46 VanDerWaalsContact O-CD2 3.28Å; L24-L46 WeakPolarHBondContact O-CD2 3.32Å
25V89.4Confident82.6Confident0 Ų062.8 Ų62.80%033%0.333CS..Hα-helixtrans-89-5.8-177.8-57.40000113.8I21 Y27 Y47 F51 I54 Y76 L77 S81I21-V25 HydrophobicContact CG2-CG1 4.23Å; I21-V25 VanDerWaalsContact O-CG2 3.29Å; I21-V25 WeakPolarHBondContact O-CG2 3.09Å; I21-V25 PolarHBondContact O-N 2.94Å; V25-Y27 PolarHBondContact O-N 3.31Å; V25-Y47 PolarHBondContact O-OH 3.49Å; V25-F51 HydrophobicContact CB-CE2 4.31Å; V25-F51 HydrophobicContact CG1-CD2 4.29Å; V25-F51 HydrophobicContact CG1-CE2 4.38Å; V25-I54 HydrophobicContact CG1-CD1 4.17Å; V25-I54 HydrophobicContact CG1-CG2 4.37Å; V25-Y76 HydrophobicContact CG2-CD1 4.26Å; V25-Y76 HydrophobicContact CG2-CE1 4.2Å; V25-L77 HydrophobicContact CB-CD2 4Å; V25-L77 HydrophobicContact CG1-CD2 4.05Å; V25-L77 HydrophobicContact CG2-CD2 3.68Å; V25-S81 VanDerWaalsContact O-CA 3.27Å; V25-S81 WeakPolarHBondContact O-CA 3.39Å
26H89.9Confident82.7Confident14 Ų1459.9 Ų59.97%0.06532%0.318CS..  trans-68.1128.9179.9-168.887.1000110.4K22 P28 L29 R33 Y76 F80K22-H26 PolarHBondContact O-N 3.49Å; H26-P28 CarbonylContact O-C 3.42Å; H26-L29 VanDerWaalsContact O-CA 3.32Å; H26-L29 WeakPolarHBondContact O-CA 3.28Å; H26-L29 PolarHBondContact O-N 2.86Å; H26-R33 PolarHBondContact CE1-NH1 2.89Å; H26-R33 PolarHBondContact ND1-NH1 3.35Å; H26-Y76 HydrophobicContact CB-CE1 4.49Å; H26-Y76 AromaticContact ND1-CZ 3.81Å; H26-Y76 PolarHBondContact ND1-OH 3Å; H26-F80 AromaticContact CE1-CD1 3.46Å; H26-F80 VanDerWaalsContact CE1-CD1 3.46Å; H26-F80 WeakPolarHBondContact CE1-CD1 3.2Å; H26-F80 AromaticContact CE1-CG 3.87Å; H26-F80 WeakPolarHBondContact ND1-CB 3.37Å; H26-F80 AromaticContact ND1-CD1 3.76Å; H26-F80 AromaticContact ND1-CG 3.67Å
27Y88.3Confident82.5Confident40 Ų4063.7 Ų63.716%0.15732%0.323CS..SBendtrans-120130.8179.9-175.1-101000111V25 Y47 F80 K82 A126 D129V25-Y27 PolarHBondContact O-N 3.31Å; Y27-Y47 HydrophobicContact CD2-CE2 4.37Å; Y27-F80 PolarHBondContact N-O 3.46Å; Y27-K82 HydrophobicContact CD1-CB 4.23Å; Y27-K82 HydrophobicContact CD1-CG 3.94Å; Y27-K82 HydrophobicContact CD2-CB 4.02Å; Y27-K82 HydrophobicContact CD2-CD 4.37Å; Y27-K82 HydrophobicContact CD2-CG 3.89Å; Y27-K82 HydrophobicContact CE1-CG 3.96Å; Y27-K82 HydrophobicContact CE2-CD 4.14Å; Y27-K82 HydrophobicContact CE2-CG 3.94Å; Y27-K82 HydrophobicContact CG-CB 3.83Å; Y27-K82 HydrophobicContact CG-CG 3.88Å; Y27-A126 HydrophobicContact CE1-CB 3.98Å; Y27-D129 PolarHBondContact OH-OD2 2.83Å
28P84.7Confident82.4Confident88 Ų8863 Ų6357%0.57132%0.32SS*.SBendcis-64.8148.5-5.4-20.733.4000113.1H26 K30H26-P28 CarbonylContact O-C 3.42Å; P28-K30 PolarHBondContact O-N 2.71Å
29L83.3Confident82.3Confident28 Ų2865.6 Ų65.615%0.14734%0.336CS..  trans-65.2115.9-175.4-167.976.1000111.7L24 H26 L34 V38L24-L29 VanDerWaalsContact O-CD1 3.23Å; L24-L29 WeakPolarHBondContact O-CD1 3.49Å; H26-L29 VanDerWaalsContact O-CA 3.32Å; H26-L29 WeakPolarHBondContact O-CA 3.28Å; H26-L29 PolarHBondContact O-N 2.86Å; L29-L34 HydrophobicContact CD1-CD1 3.81Å; L29-L34 HydrophobicContact CD2-CD1 4.38Å; L29-L34 HydrophobicContact CG-CD1 4.24Å; L29-V38 HydrophobicContact CD2-CB 3.63Å; L29-V38 HydrophobicContact CD2-CG1 3.53Å; L29-V38 HydrophobicContact CD2-CG2 4.09Å
30K79.9Confident82Confident101 Ų10168.6 Ų68.644%0.43934%0.343SS..  trans-93.899175.6-65.7-177.8-177.7176.20110.1P28 D32 R33P28-K30 PolarHBondContact O-N 2.71Å; K30-D32 PolarHBondContact O-N 3.39Å; K30-D32 VanDerWaalsContact O-N 3.12Å; K30-R33 HydrophobicContact CB-CG 4.37Å; K30-R33 PolarHBondContact O-N 3.22Å; K30-R33 VanDerWaalsContact O-N 3.1Å
31Q75.1Confident81.8Confident102 Ų10273.7 Ų73.748%0.47736%0.361SS..G310 helixtrans-55.1-31.7-178.1-69-173.2-6.500112.9R33 L34 V38Q31-R33 PolarHBondContact O-N 3.23Å; Q31-L34 PolarHBondContact O-N 3.3Å; Q31-V38 PolarHBondContact NE2-O 2.89Å
32D72.6Confident81.7Confident164 Ų16476 Ų7688%0.87737%0.374SS*.G310 helixtrans-58.8-21.2179.6-51.9-29.5000114.3K30K30-D32 PolarHBondContact O-N 3.39Å; K30-D32 VanDerWaalsContact O-N 3.12Å
33R70.4Confident81.5Confident129 Ų12976.2 Ų76.249%0.48738%0.375SS..G310 helixtrans-87.1-18.9180-65.9-176.4174.3-179.9-2.4113.4H26 K30 Q31 Y76H26-R33 PolarHBondContact CE1-NH1 2.89Å; H26-R33 PolarHBondContact ND1-NH1 3.35Å; K30-R33 HydrophobicContact CB-CG 4.37Å; K30-R33 PolarHBondContact O-N 3.22Å; K30-R33 VanDerWaalsContact O-N 3.1Å; Q31-R33 PolarHBondContact O-N 3.23Å; R33-Y76 PolarHBondContact NH1-OH 3.24Å
34L71Confident81.3Confident10 Ų1081.8 Ų81.85%0.05240%0.398CS..SBendtrans-105.9114.2-176.4-65.2165.9000106.1L24 L29 Q31 F36 V38L24-L34 HydrophobicContact CB-CD2 4.1Å; L24-L34 HydrophobicContact CD1-CD1 4.11Å; L24-L34 HydrophobicContact CD1-CD2 4.42Å; L29-L34 HydrophobicContact CD1-CD1 3.81Å; L29-L34 HydrophobicContact CD2-CD1 4.38Å; L29-L34 HydrophobicContact CG-CD1 4.24Å; Q31-L34 PolarHBondContact O-N 3.3Å; L34-F36 HydrophobicContact CB-CD1 4.33Å; L34-F36 HydrophobicContact CB-CE1 4.13Å; L34-F36 HydrophobicContact CB-CZ 4.28Å; L34-F36 HydrophobicContact CD2-CE1 3.96Å; L34-F36 HydrophobicContact CD2-CZ 3.89Å; L34-F36 HydrophobicContact CG-CZ 4.49Å; L34-F36 PolarHBondContact O-N 3.04Å; L34-V38 HydrophobicContact CD1-CG2 3.82Å
35G73.8Confident81.3Confident94 Ų9484.8 Ų84.897%0.96941%0.413SS*.SBendtrans-62.616177.800000115.1
36F80.7Confident81.3Confident72 Ų7284.8 Ų84.832%0.31641%0.413SS..SBendtrans-143.6153.1179.560.5-88.7000110.6M1 L4 L24 L34 V38M1-F36 HydrophobicContact CB-CE2 3.95Å; M1-F36 HydrophobicContact CB-CZ 4.47Å; L4-F36 HydrophobicContact CD2-CE1 4.3Å; L4-F36 HydrophobicContact CD2-CZ 4.28Å; L24-F36 HydrophobicContact CD1-CZ 4.33Å; L34-F36 HydrophobicContact CB-CD1 4.33Å; L34-F36 HydrophobicContact CB-CE1 4.13Å; L34-F36 HydrophobicContact CB-CZ 4.28Å; L34-F36 HydrophobicContact CD2-CE1 3.96Å; L34-F36 HydrophobicContact CD2-CZ 3.89Å; L34-F36 HydrophobicContact CG-CZ 4.49Å; L34-F36 PolarHBondContact O-N 3.04Å; F36-V38 HydrophobicContact CD2-CG2 3.9Å; F36-V38 HydrophobicContact CE2-CG2 3.54Å; F36-V38 HydrophobicContact CZ-CG2 4.48Å
37R79.8Confident81.3Confident207 Ų20784.4 Ų84.478%0.78141%0.412SS*.  trans-76.7132.3179.1-167.9177.2-175.9-171.40.4110.6
38V80.5Confident81.1Confident4 Ų486.9 Ų86.92%0.02443%0.427CS..  trans-111.1121.7172.6-177.20000108.2L29 Q31 L34 F36 D42 E43L29-V38 HydrophobicContact CD2-CB 3.63Å; L29-V38 HydrophobicContact CD2-CG1 3.53Å; L29-V38 HydrophobicContact CD2-CG2 4.09Å; Q31-V38 PolarHBondContact NE2-O 2.89Å; L34-V38 HydrophobicContact CD1-CG2 3.82Å; F36-V38 HydrophobicContact CD2-CG2 3.9Å; F36-V38 HydrophobicContact CE2-CG2 3.54Å; F36-V38 HydrophobicContact CZ-CG2 4.48Å; V38-D42 HydrophobicContact CG1-CB 3.63Å; V38-E43 HydrophobicContact CG1-CB 4.43Å
39T83.7Confident81.2Confident62 Ų6288.1 Ų88.138%0.3842%0.424SS..  trans-79.7165.7174.268.40000110.8E41 D42 E43T39-E41 PolarHBondContact O-N 2.99Å; T39-E41 PolarHBondContact OG1-N 2.77Å; T39-D42 WeakPolarHBondContact CB-OD2 3.19Å; T39-D42 WeakPolarHBondContact CG2-OD2 3.49Å; T39-D42 PolarHBondContact N-OD2 3.09Å; T39-D42 WeakPolarHBondContact O-CB 3.49Å; T39-D42 PolarHBondContact O-N 3.1Å; T39-D42 PolarHBondContact OG1-N 3.36Å; T39-D42 VanDerWaalsContact OG1-N 3.1Å; T39-D42 PolarHBondContact OG1-OD2 3.43Å; T39-E43 PolarHBondContact O-N 3.28Å
40R79.6Confident81.5Confident219 Ų21987.9 Ų87.983%0.82642%0.421SS*.Hα-helixtrans-61.5-31.5172.8-73.8-175176.2-179.6-2.4112.5K44R40-K44 WeakPolarHBondContact O-CB 3.22Å; R40-K44 PolarHBondContact O-N 3.01Å
41E83.4Confident82.1Confident162 Ų16283.1 Ų83.176%0.75740%0.4SS*.Hα-helixtrans-69.2-39.7175.1-65.4-179.7-178.900111.1T39 K44 L45T39-E41 PolarHBondContact O-N 2.99Å; T39-E41 PolarHBondContact OG1-N 2.77Å; E41-K44 PolarHBondContact O-N 3.23Å; E41-L45 VanDerWaalsContact O-CB 3.27Å; E41-L45 WeakPolarHBondContact O-CB 3.4Å; E41-L45 PolarHBondContact O-N 2.93Å
42D85.3Confident82.8Confident49 Ų4981 Ų8126%0.26239%0.391SS..Hα-helixtrans-64.1-41.9173.8-63.7-51.3000111.6M1 V38 T39 L45 L46M1-D42 HydrophobicContact CE-CB 3.94Å; M1-D42 HydrophobicContact SD-CB 4.06Å; V38-D42 HydrophobicContact CG1-CB 3.63Å; T39-D42 WeakPolarHBondContact CB-OD2 3.19Å; T39-D42 WeakPolarHBondContact CG2-OD2 3.49Å; T39-D42 PolarHBondContact N-OD2 3.09Å; T39-D42 WeakPolarHBondContact O-CB 3.49Å; T39-D42 PolarHBondContact O-N 3.1Å; T39-D42 PolarHBondContact OG1-N 3.36Å; T39-D42 VanDerWaalsContact OG1-N 3.1Å; T39-D42 PolarHBondContact OG1-OD2 3.43Å; D42-L45 PolarHBondContact O-N 2.74Å; D42-L46 WeakPolarHBondContact O-CB 3.29Å; D42-L46 PolarHBondContact O-N 2.95Å
43E84.5Confident83.6Confident49 Ų4977 Ų7723%0.22937%0.366CS..Hα-helixtrans-62.4-45.8176-177176.9-173.500111.2V38 T39 L45 L46 Y47V38-E43 HydrophobicContact CG1-CB 4.43Å; T39-E43 PolarHBondContact O-N 3.28Å; E43-L45 PolarHBondContact O-N 3.47Å; E43-L46 WeakPolarHBondContact O-CB 3.19Å; E43-L46 PolarHBondContact O-N 3.37Å; E43-Y47 HydrophobicContact CG-CD2 3.82Å; E43-Y47 HydrophobicContact CG-CE2 3.72Å; E43-Y47 WeakPolarHBondContact O-CD2 3.5Å; E43-Y47 PolarHBondContact O-N 2.95Å; E43-Y47 VanDerWaalsContact O-N 3.1Å
44K84.2Confident84.6Confident123 Ų12370.9 Ų70.954%0.53534%0.343SS..Hα-helixtrans-60-46.5174.4-175.9173.5-178.1178.30111.4R40 E41 L46 Y47 D48R40-K44 WeakPolarHBondContact O-CB 3.22Å; R40-K44 PolarHBondContact O-N 3.01Å; E41-K44 PolarHBondContact O-N 3.23Å; K44-L46 VanDerWaalsContact C-N 3.34Å; K44-L46 PolarHBondContact O-N 3.07Å; K44-Y47 PolarHBondContact O-N 3.42Å; K44-D48 VanDerWaalsContact CE-OD2 3.28Å; K44-D48 WeakPolarHBondContact CE-OD2 3.31Å; K44-D48 VanDerWaalsContact CG-OD2 3.28Å; K44-D48 WeakPolarHBondContact CG-OD2 3.19Å; K44-D48 VanDerWaalsContact O-CB 3.27Å; K44-D48 WeakPolarHBondContact O-CB 3.31Å; K44-D48 VanDerWaalsContact O-CG 3.22Å; K44-D48 PolarHBondContact O-N 2.82Å
45L87.7Confident85.5Confident63 Ų6370.4 Ų70.433%0.3334%0.341SS..Hα-helixtrans-62.5-39.5177.9-179.365.3000112.5M1 I2 E41 D42 E43 K49 Y50M1-L45 HydrophobicContact CE-CD2 4.22Å; I2-L45 HydrophobicContact CD1-CD2 4.47Å; E41-L45 VanDerWaalsContact O-CB 3.27Å; E41-L45 WeakPolarHBondContact O-CB 3.4Å; E41-L45 PolarHBondContact O-N 2.93Å; D42-L45 PolarHBondContact O-N 2.74Å; E43-L45 PolarHBondContact O-N 3.47Å; L45-K49 HydrophobicContact CD1-CB 4.37Å; L45-K49 HydrophobicContact CD1-CD 4.37Å; L45-K49 WeakPolarHBondContact O-CB 3.41Å; L45-K49 PolarHBondContact O-N 3.13Å; L45-K49 VanDerWaalsContact O-N 3.13Å; L45-Y50 HydrophobicContact CD1-CE2 4.22Å; L45-Y50 HydrophobicContact CD2-CE2 3.98Å; L45-Y50 HydrophobicContact CG-CD2 4.1Å; L45-Y50 HydrophobicContact CG-CE2 3.78Å
46L89.6Confident86.2Confident0 Ų067 Ų670%031%0.305CS..Iπ-helixtrans-56.1-53175171.967.5000109.9M1 L24 D42 E43 K44 Y50 F51 I54M1-L46 HydrophobicContact SD-CB 4.04Å; L24-L46 HydrophobicContact CD1-CD2 3.97Å; L24-L46 HydrophobicContact CD2-CD1 3.81Å; L24-L46 HydrophobicContact CG-CD1 3.95Å; L24-L46 HydrophobicContact CG-CD2 3.78Å; L24-L46 VanDerWaalsContact O-CD2 3.28Å; L24-L46 WeakPolarHBondContact O-CD2 3.32Å; D42-L46 WeakPolarHBondContact O-CB 3.29Å; D42-L46 PolarHBondContact O-N 2.95Å; E43-L46 WeakPolarHBondContact O-CB 3.19Å; E43-L46 PolarHBondContact O-N 3.37Å; K44-L46 VanDerWaalsContact C-N 3.34Å; K44-L46 PolarHBondContact O-N 3.07Å; L46-Y50 CarbonylContact O-C 3.58Å; L46-Y50 WeakPolarHBondContact O-CA 3.48Å; L46-Y50 PolarHBondContact O-N 3.4Å; L46-F51 PolarHBondContact O-N 3.37Å; L46-I54 HydrophobicContact CD1-CD1 4.05Å
47Y88.5Confident86.5Confident7 Ų765.4 Ų65.43%0.02730%0.299CS..Iπ-helixtrans-75.2-39.9-174-81-53.2000113.6V25 Y27 E43 K44 K49 F51 K82 I85V25-Y47 PolarHBondContact O-OH 3.49Å; Y27-Y47 HydrophobicContact CD2-CE2 4.37Å; E43-Y47 HydrophobicContact CG-CD2 3.82Å; E43-Y47 HydrophobicContact CG-CE2 3.72Å; E43-Y47 WeakPolarHBondContact O-CD2 3.5Å; E43-Y47 PolarHBondContact O-N 2.95Å; E43-Y47 VanDerWaalsContact O-N 3.1Å; K44-Y47 PolarHBondContact O-N 3.42Å; Y47-K49 PolarHBondContact O-N 3.28Å; Y47-F51 HydrophobicContact CD1-CB 4.22Å; Y47-F51 HydrophobicContact CD1-CD2 4.09Å; Y47-F51 HydrophobicContact CD1-CG 4.2Å; Y47-F51 HydrophobicContact CE1-CD2 4.01Å; Y47-F51 HydrophobicContact CE1-CE2 4.44Å; Y47-K82 HydrophobicContact CD1-CB 4.09Å; Y47-K82 HydrophobicContact CD2-CD 4.49Å; Y47-K82 HydrophobicContact CE1-CB 3.58Å; Y47-K82 HydrophobicContact CE2-CB 4.48Å; Y47-I85 VanDerWaalsContact CB-CD1 3.42Å; Y47-I85 HydrophobicContact CD1-CD1 3.89Å; Y47-I85 HydrophobicContact CD1-CG2 4.5Å; Y47-I85 HydrophobicContact CG-CD1 3.79Å
48D84.4Confident86.9Confident91 Ų9155.5 Ų55.549%0.48726%0.262SS..Iπ-helixtrans-68.3-34.5179.7-71.9-7000112.2K44K44-D48 VanDerWaalsContact CE-OD2 3.28Å; K44-D48 WeakPolarHBondContact CE-OD2 3.31Å; K44-D48 VanDerWaalsContact CG-OD2 3.28Å; K44-D48 WeakPolarHBondContact CG-OD2 3.19Å; K44-D48 VanDerWaalsContact O-CB 3.27Å; K44-D48 WeakPolarHBondContact O-CB 3.31Å; K44-D48 VanDerWaalsContact O-CG 3.22Å; K44-D48 PolarHBondContact O-N 2.82Å
49K87.2Confident87.2Confident114 Ų11455.4 Ų55.450%0.49626%0.261SS..Iπ-helixtrans-123.8-49.5-169.7-170.5178.7179.1-177.20114.8L45 Y47L45-K49 HydrophobicContact CD1-CB 4.37Å; L45-K49 HydrophobicContact CD1-CD 4.37Å; L45-K49 WeakPolarHBondContact O-CB 3.41Å; L45-K49 PolarHBondContact O-N 3.13Å; L45-K49 VanDerWaalsContact O-N 3.13Å; Y47-K49 PolarHBondContact O-N 3.28Å
50Y90.3Very high87.3Confident24 Ų2458.7 Ų58.79%0.09427%0.27CS..Iπ-helixtrans-88.2-28.1-167.4-69.5-73.6000113.5I2 V5 L45 L46 H52 Q53 I54I2-Y50 HydrophobicContact CG1-CE2 4.11Å; V5-Y50 HydrophobicContact CB-CD1 4.43Å; V5-Y50 HydrophobicContact CG1-CD1 3.84Å; V5-Y50 HydrophobicContact CG1-CG 4.42Å; L45-Y50 HydrophobicContact CD1-CE2 4.22Å; L45-Y50 HydrophobicContact CD2-CE2 3.98Å; L45-Y50 HydrophobicContact CG-CD2 4.1Å; L45-Y50 HydrophobicContact CG-CE2 3.78Å; L46-Y50 CarbonylContact O-C 3.58Å; L46-Y50 WeakPolarHBondContact O-CA 3.48Å; L46-Y50 PolarHBondContact O-N 3.4Å; Y50-H52 VanDerWaalsContact C-N 3.32Å; Y50-H52 PolarHBondContact O-N 3.49Å; Y50-Q53 WeakPolarHBondContact O-CA 3.36Å; Y50-Q53 WeakPolarHBondContact O-CB 3.46Å; Y50-Q53 PolarHBondContact O-N 3.32Å; Y50-I54 WeakPolarHBondContact O-CG1 3.45Å; Y50-I54 PolarHBondContact O-N 3.16Å
51F92.2Very high87.5Confident0 Ų048.9 Ų48.90%023%0.234CC..Hα-helixtrans-60.1-43.7-179.3-175.9-90.9000111.7V25 L46 Y47 Q53 I54 M55 L77 S81 I85 W86 C89V25-F51 HydrophobicContact CB-CE2 4.31Å; V25-F51 HydrophobicContact CG1-CD2 4.29Å; V25-F51 HydrophobicContact CG1-CE2 4.38Å; L46-F51 PolarHBondContact O-N 3.37Å; Y47-F51 HydrophobicContact CD1-CB 4.22Å; Y47-F51 HydrophobicContact CD1-CD2 4.09Å; Y47-F51 HydrophobicContact CD1-CG 4.2Å; Y47-F51 HydrophobicContact CE1-CD2 4.01Å; Y47-F51 HydrophobicContact CE1-CE2 4.44Å; F51-Q53 PolarHBondContact O-N 3.23Å; F51-I54 PolarHBondContact O-N 3.14Å; F51-M55 HydrophobicContact CE1-CB 4.36Å; F51-M55 HydrophobicContact CE1-SD 3.9Å; F51-M55 HydrophobicContact CZ-SD 4.39Å; F51-M55 WeakPolarHBondContact O-CB 3.43Å; F51-M55 PolarHBondContact O-N 2.92Å; F51-L77 HydrophobicContact CE2-CD2 3.95Å; F51-L77 HydrophobicContact CZ-CD2 4.3Å; F51-S81 WeakPolarHBondContact CZ-OG 3.46Å; F51-I85 HydrophobicContact CD1-CG2 3.61Å; F51-I85 HydrophobicContact CE1-CG2 4.13Å; F51-I85 HydrophobicContact CG-CG2 4.19Å; F51-W86 HydrophobicContact CE1-CB 4.33Å; F51-W86 HydrophobicContact CZ-CB 4.19Å; F51-C89 HydrophobicContact CE1-CB 4.37Å
52H90.1Very high87.5Confident59 Ų5941.6 Ų41.627%0.27320%0.201SC..Hα-helixtrans-57.3-37.6174-68.890.8000112.6Y50 G56Y50-H52 VanDerWaalsContact C-N 3.32Å; Y50-H52 PolarHBondContact O-N 3.49Å; H52-G56 PolarHBondContact O-N 3.37Å
53Q89.6Confident87.4Confident79 Ų7942.2 Ų42.237%0.36920%0.204SC..Hα-helixtrans-72.2-43177.4-60.9-178.6-13.200111.4L9 Y50 F51 H57L9-Q53 HydrophobicContact CD1-CB 4.3Å; L9-Q53 HydrophobicContact CD2-CB 4.35Å; Y50-Q53 WeakPolarHBondContact O-CA 3.36Å; Y50-Q53 WeakPolarHBondContact O-CB 3.46Å; Y50-Q53 PolarHBondContact O-N 3.32Å; F51-Q53 PolarHBondContact O-N 3.23Å; Q53-H57 WeakPolarHBondContact O-CB 3.33Å; Q53-H57 PolarHBondContact O-N 3.38Å
54I90.3Very high87.3Confident0 Ų045.4 Ų45.40%022%0.223CC..Hα-helixtrans-61.8-50.3178.1-66.1165.7000110.3V5 F8 I21 V25 L46 Y50 F51 H57 A58 L77V5-I54 HydrophobicContact CG1-CD1 4.27Å; V5-I54 HydrophobicContact CG1-CG1 3.99Å; V5-I54 HydrophobicContact CG2-CD1 4.08Å; F8-I54 HydrophobicContact CD1-CG2 4.46Å; F8-I54 HydrophobicContact CE1-CG2 3.99Å; I21-I54 HydrophobicContact CD1-CD1 4.43Å; I21-I54 HydrophobicContact CG2-CG2 3.76Å; V25-I54 HydrophobicContact CG1-CD1 4.17Å; V25-I54 HydrophobicContact CG1-CG2 4.37Å; L46-I54 HydrophobicContact CD1-CD1 4.05Å; Y50-I54 WeakPolarHBondContact O-CG1 3.45Å; Y50-I54 PolarHBondContact O-N 3.16Å; F51-I54 PolarHBondContact O-N 3.14Å; I54-H57 PolarHBondContact O-N 3.3Å; I54-A58 WeakPolarHBondContact O-CB 3.39Å; I54-A58 PolarHBondContact O-N 3.09Å; I54-L77 HydrophobicContact CG2-CD2 4.49Å
55M90.2Very high87.1Confident0 Ų042.3 Ų42.30%022%0.217CC..Hα-helixtrans-65.6-47.2179.5-173.6171178.200111.2F51 H57 A58 F59 W86 C89 A90 M93 L106F51-M55 HydrophobicContact CE1-CB 4.36Å; F51-M55 HydrophobicContact CE1-SD 3.9Å; F51-M55 HydrophobicContact CZ-SD 4.39Å; F51-M55 WeakPolarHBondContact O-CB 3.43Å; F51-M55 PolarHBondContact O-N 2.92Å; M55-H57 VanDerWaalsContact C-N 3.32Å; M55-H57 PolarHBondContact O-N 2.96Å; M55-A58 PolarHBondContact O-N 2.83Å; M55-F59 HydrophobicContact CE-CD2 4.32Å; M55-F59 HydrophobicContact CE-CE2 3.72Å; M55-F59 HydrophobicContact CE-CZ 4.29Å; M55-F59 HydrophobicContact CG-CD2 3.75Å; M55-F59 HydrophobicContact CG-CE2 3.81Å; M55-F59 WeakPolarHBondContact O-CD2 3.34Å; M55-F59 PolarHBondContact O-N 3.4Å; M55-W86 HydrophobicContact CE-CD2 4.25Å; M55-W86 HydrophobicContact CE-CG 4.3Å; M55-W86 HydrophobicContact CE-CZ2 4.14Å; M55-W86 HydrophobicContact SD-CG 4.4Å; M55-C89 HydrophobicContact SD-CB 3.67Å; M55-A90 HydrophobicContact CE-CB 3.92Å; M55-M93 HydrophobicContact CG-SD 4.24Å; M55-L106 HydrophobicContact CE-CD1 3.89Å
56G88.3Confident86.7Confident22 Ų2243.9 Ų43.923%0.22723%0.231CC..Hα-helixtrans-57.4-43.8176.600000112.8H52 K60H52-G56 PolarHBondContact O-N 3.37Å; G56-K60 WeakPolarHBondContact O-CB 3.38Å; G56-K60 PolarHBondContact O-N 2.88Å; G56-K60 VanDerWaalsContact O-N 3.09Å
57H87.9Confident86.4Confident39 Ų3946.1 Ų46.118%0.18125%0.245CC..Hα-helixtrans-65.3-51.2175.7-175.8-108.2000111.6F8 L9 T12 Q53 I54 M55 F59 K60 T61F8-H57 AromaticContact CD1-ND1 3.95Å; F8-H57 HydrophobicContact CE1-CB 4.32Å; F8-H57 AromaticContact CE1-ND1 3.43Å; F8-H57 WeakPolarHBondContact CE1-ND1 3.04Å; F8-H57 AromaticContact CZ-ND1 3.76Å; F8-H57 PolarHBondContact O-CE1 3.02Å; L9-H57 HydrophobicContact CD2-CB 3.55Å; L9-H57 PolarHBondContact O-NE2 3.19Å; T12-H57 VanDerWaalsContact CG2-CE1 3.45Å; T12-H57 WeakPolarHBondContact CG2-CE1 3.42Å; Q53-H57 WeakPolarHBondContact O-CB 3.33Å; Q53-H57 PolarHBondContact O-N 3.38Å; I54-H57 PolarHBondContact O-N 3.3Å; M55-H57 VanDerWaalsContact C-N 3.32Å; M55-H57 PolarHBondContact O-N 2.96Å; H57-F59 PolarHBondContact O-N 3.47Å; H57-K60 PolarHBondContact O-N 3.23Å; H57-T61 WeakPolarHBondContact O-CB 3.35Å; H57-T61 PolarHBondContact O-N 2.86Å; H57-T61 PolarHBondContact O-OG1 3.47Å
58A87.6Confident86.3Confident0 Ų051.8 Ų51.80%028%0.28CS..Hα-helixtrans-55.9-50.4-178.900000112.5F8 I54 M55 K60 T61 V62 L73 L77F8-A58 HydrophobicContact CZ-CB 4.45Å; I54-A58 WeakPolarHBondContact O-CB 3.39Å; I54-A58 PolarHBondContact O-N 3.09Å; M55-A58 PolarHBondContact O-N 2.83Å; A58-K60 PolarHBondContact O-N 2.97Å; A58-T61 PolarHBondContact O-N 3.19Å; A58-V62 WeakPolarHBondContact O-CG2 3.36Å; A58-V62 PolarHBondContact O-N 2.8Å; A58-L73 HydrophobicContact CB-CD2 4.09Å; A58-L73 HydrophobicContact CB-CG 4.49Å; A58-L77 HydrophobicContact CB-CD1 4.05Å
59F87.3Confident86.3Confident2 Ų250.3 Ų50.31%0.00927%0.27CS..Hα-helixtrans-68.4-34.5179.6-82.1-91000112.6M55 H57 N63 C74 M93 L105 L106 E109M55-F59 HydrophobicContact CE-CD2 4.32Å; M55-F59 HydrophobicContact CE-CE2 3.72Å; M55-F59 HydrophobicContact CE-CZ 4.29Å; M55-F59 HydrophobicContact CG-CD2 3.75Å; M55-F59 HydrophobicContact CG-CE2 3.81Å; M55-F59 WeakPolarHBondContact O-CD2 3.34Å; M55-F59 PolarHBondContact O-N 3.4Å; H57-F59 PolarHBondContact O-N 3.47Å; F59-N63 VanDerWaalsContact O-CG 3.28Å; F59-N63 PolarHBondContact O-N 3.48Å; F59-N63 PolarHBondContact O-ND2 2.84Å; F59-C74 HydrophobicContact CE1-CB 4.34Å; F59-C74 HydrophobicContact CE2-CB 4.3Å; F59-C74 HydrophobicContact CZ-CB 4.06Å; F59-M93 HydrophobicContact CB-CE 3.96Å; F59-L105 HydrophobicContact CD1-CD2 4.04Å; F59-L105 HydrophobicContact CD1-CG 4.16Å; F59-L105 HydrophobicContact CE1-CD2 4.25Å; F59-L105 HydrophobicContact CE1-CG 4.03Å; F59-L106 HydrophobicContact CD1-CB 4.2Å; F59-L106 HydrophobicContact CD1-CD1 4.2Å; F59-L106 HydrophobicContact CE1-CB 4.18Å; F59-L106 HydrophobicContact CE1-CD1 3.85Å; F59-L106 HydrophobicContact CE2-CD1 4.39Å; F59-L106 HydrophobicContact CZ-CD1 3.95Å; F59-E109 HydrophobicContact CE1-CB 4.37Å; F59-E109 HydrophobicContact CE1-CG 4.12Å; F59-E109 HydrophobicContact CZ-CB 4.24Å; F59-E109 HydrophobicContact CZ-CG 4.15Å
60K85Confident86.2Confident131 Ų13144.9 Ų44.957%0.5725%0.247SC*.Hα-helixtrans-66.1-48.1174.3-175.8-179176.1-171.80111.3G56 H57 A58 V62 N63 D64G56-K60 WeakPolarHBondContact O-CB 3.38Å; G56-K60 PolarHBondContact O-N 2.88Å; G56-K60 VanDerWaalsContact O-N 3.09Å; H57-K60 PolarHBondContact O-N 3.23Å; A58-K60 PolarHBondContact O-N 2.97Å; K60-V62 VanDerWaalsContact C-N 3.31Å; K60-V62 PolarHBondContact O-N 2.95Å; K60-N63 WeakPolarHBondContact O-CB 3.27Å; K60-N63 PolarHBondContact O-N 3.44Å; K60-N63 VanDerWaalsContact O-N 3.1Å; K60-D64 WeakPolarHBondContact CE-OD2 3.42Å; K60-D64 WeakPolarHBondContact CG-OD2 3.05Å; K60-D64 PolarHBondContact O-N 3.27Å
61T84.2Confident86Confident13 Ų1347.4 Ų47.48%0.0826%0.261CS..Hα-helixtrans-60.1-40.3179.3-56.10000111.7T12 H57 A58 N63 D64 S65 M70T12-T61 HydrophobicContact CG2-CG2 3.67Å; H57-T61 WeakPolarHBondContact O-CB 3.35Å; H57-T61 PolarHBondContact O-N 2.86Å; H57-T61 PolarHBondContact O-OG1 3.47Å; A58-T61 PolarHBondContact O-N 3.19Å; T61-N63 VanDerWaalsContact C-N 3.34Å; T61-N63 PolarHBondContact O-N 3.32Å; T61-D64 PolarHBondContact O-N 3.43Å; T61-S65 CarbonylContact O-C 3.59Å; T61-S65 VanDerWaalsContact O-C 3.3Å; T61-S65 WeakPolarHBondContact O-CA 3.42Å; T61-S65 PolarHBondContact O-N 3.41Å; T61-S65 PolarHBondContact O-OG 3.44Å; T61-M70 HydrophobicContact CG2-CG 4.14Å
62V84Confident85.8Confident9 Ų949.7 Ų49.76%0.05528%0.277CS..Hα-helixtrans-64.9-38.6175.5176.20000112.2A58 K60 P66 M70 L71 L105A58-V62 WeakPolarHBondContact O-CG2 3.36Å; A58-V62 PolarHBondContact O-N 2.8Å; K60-V62 VanDerWaalsContact C-N 3.31Å; K60-V62 PolarHBondContact O-N 2.95Å; V62-P66 HydrophobicContact CG1-CB 4.32Å; V62-P66 WeakPolarHBondContact O-CA 3.47Å; V62-M70 HydrophobicContact CG2-CB 3.49Å; V62-M70 VanDerWaalsContact CG2-CB 3.49Å; V62-L71 HydrophobicContact CG1-CD2 3.49Å; V62-L71 VanDerWaalsContact CG1-CD2 3.49Å; V62-L71 HydrophobicContact CG1-CG 3.9Å; V62-L71 HydrophobicContact CG2-CG 4.45Å; V62-L105 HydrophobicContact CB-CD2 3.92Å; V62-L105 HydrophobicContact CG1-CD2 3.39Å; V62-L105 HydrophobicContact CG2-CD2 4.5Å
63N81.3Confident85.8Confident61 Ų6146.9 Ų46.933%0.32626%0.264SS..Hα-helixtrans-69.1-36.3177.9-74.7-34.4000112.5F59 K60 T61 A102F59-N63 VanDerWaalsContact O-CG 3.28Å; F59-N63 PolarHBondContact O-N 3.48Å; F59-N63 PolarHBondContact O-ND2 2.84Å; K60-N63 WeakPolarHBondContact O-CB 3.27Å; K60-N63 PolarHBondContact O-N 3.44Å; K60-N63 VanDerWaalsContact O-N 3.1Å; T61-N63 VanDerWaalsContact C-N 3.34Å; T61-N63 PolarHBondContact O-N 3.32Å; N63-A102 WeakPolarHBondContact ND2-CA 3.28Å; N63-A102 WeakPolarHBondContact ND2-CB 3.49Å; N63-A102 PolarHBondContact ND2-O 3.47Å
64D82.8Confident85.8Confident117 Ų11743.1 Ų43.163%0.62625%0.246SC*.Hα-helixtrans-80.2-40.1-179.9-67.1-19.4000111.7K60 T61K60-D64 WeakPolarHBondContact CE-OD2 3.42Å; K60-D64 WeakPolarHBondContact CG-OD2 3.05Å; K60-D64 PolarHBondContact O-N 3.27Å; T61-D64 PolarHBondContact O-N 3.43Å
65S80.2Confident85.8Confident58 Ų5844.1 Ų44.141%0.40626%0.257SS..SBendtrans-151.794.5-179.757.50000111.4T61 T67T61-S65 CarbonylContact O-C 3.59Å; T61-S65 VanDerWaalsContact O-C 3.3Å; T61-S65 WeakPolarHBondContact O-CA 3.42Å; T61-S65 PolarHBondContact O-N 3.41Å; T61-S65 PolarHBondContact O-OG 3.44Å; S65-T67 PolarHBondContact O-N 2.94Å; S65-T67 VanDerWaalsContact O-N 3.09Å
66P79.6Confident85.9Confident95 Ų9545.9 Ų45.962%0.61726%0.264SS*.  trans-71.1109.7-175.426.9-33.4000111.3V62V62-P66 HydrophobicContact CG1-CB 4.32Å; V62-P66 WeakPolarHBondContact O-CA 3.47Å
67T84Confident86.1Confident48 Ų4844.8 Ų44.829%0.29425%0.253SS..  trans-104.4147.5168.563.20000110.4S65 E69 M70 L71S65-T67 PolarHBondContact O-N 2.94Å; S65-T67 VanDerWaalsContact O-N 3.09Å; T67-E69 PolarHBondContact O-N 3.26Å; T67-M70 PolarHBondContact O-N 3.11Å; T67-M70 VanDerWaalsContact OG1-CB 3.28Å; T67-M70 WeakPolarHBondContact OG1-CB 3.34Å; T67-M70 VanDerWaalsContact OG1-CG 3.23Å; T67-M70 WeakPolarHBondContact OG1-CG 3.27Å; T67-M70 PolarHBondContact OG1-N 3.24Å; T67-L71 PolarHBondContact O-N 2.72Å
68T84.9Confident86.3Confident126 Ų12643 Ų4377%0.77324%0.244SC*.Hα-helixtrans-57.1-37.7178.2-49.30000111.5S72T68-S72 WeakPolarHBondContact O-CB 3.42Å; T68-S72 PolarHBondContact O-N 3.36Å
69E85.1Confident86.6Confident60 Ų6047 Ų4728%0.2826%0.263SS..Hα-helixtrans-68.1-43.7179-67.8170-14200112.5E15 I18 T67 S72 L73E15-E69 HydrophobicContact CG-CG 4.38Å; E15-E69 VanDerWaalsContact CG-OE1 3.3Å; E15-E69 WeakPolarHBondContact CG-OE1 3.47Å; E15-E69 VanDerWaalsContact CG-OE2 3.25Å; E15-E69 WeakPolarHBondContact CG-OE2 3.4Å; I18-E69 HydrophobicContact CD1-CB 3.68Å; I18-E69 WeakPolarHBondContact CD1-OE2 3.44Å; T67-E69 PolarHBondContact O-N 3.26Å; E69-S72 CarbonylContact O-C 3.47Å; E69-S72 WeakPolarHBondContact O-CB 3.49Å; E69-S72 PolarHBondContact O-N 2.94Å; E69-S72 PolarHBondContact O-OG 3.39Å; E69-L73 PolarHBondContact O-N 3.46Å
70M84.6Confident86.8Confident0 Ų049.9 Ų49.90%028%0.276CS..Hα-helixtrans-69.9-38.1177.9-73.3-69.2167.100112.1F8 T12 I18 T61 V62 T67 S72 L73 C74F8-M70 HydrophobicContact CE2-CE 3.71Å; F8-M70 HydrophobicContact CE2-SD 4.2Å; F8-M70 HydrophobicContact CZ-CE 4.25Å; F8-M70 HydrophobicContact CZ-SD 4.27Å; T12-M70 HydrophobicContact CG2-CE 4.37Å; T12-M70 WeakPolarHBondContact O-CE 3.32Å; I18-M70 HydrophobicContact CD1-CE 3.76Å; I18-M70 HydrophobicContact CD1-SD 4.5Å; I18-M70 HydrophobicContact CG1-CE 4.04Å; T61-M70 HydrophobicContact CG2-CG 4.14Å; V62-M70 HydrophobicContact CG2-CB 3.49Å; V62-M70 VanDerWaalsContact CG2-CB 3.49Å; T67-M70 PolarHBondContact O-N 3.11Å; T67-M70 VanDerWaalsContact OG1-CB 3.28Å; T67-M70 WeakPolarHBondContact OG1-CB 3.34Å; T67-M70 VanDerWaalsContact OG1-CG 3.23Å; T67-M70 WeakPolarHBondContact OG1-CG 3.27Å; T67-M70 PolarHBondContact OG1-N 3.24Å; M70-S72 VanDerWaalsContact C-N 3.29Å; M70-S72 PolarHBondContact O-N 3.36Å; M70-L73 WeakPolarHBondContact O-CB 3.09Å; M70-L73 PolarHBondContact O-N 3.22Å; M70-L73 VanDerWaalsContact O-N 3.08Å; M70-L73 HydrophobicContact SD-CD2 4.11Å; M70-C74 PolarHBondContact O-N 2.98Å
71L86.6Confident87.2Confident76 Ų7643.6 Ų43.640%0.39825%0.249SC..Hα-helixtrans-58.9-42.5169.6-78.3166.1000111.3V62 T67 L73 C74 G75 L105V62-L71 HydrophobicContact CG1-CD2 3.49Å; V62-L71 VanDerWaalsContact CG1-CD2 3.49Å; V62-L71 HydrophobicContact CG1-CG 3.9Å; V62-L71 HydrophobicContact CG2-CG 4.45Å; T67-L71 PolarHBondContact O-N 2.72Å; L71-L73 VanDerWaalsContact C-N 3.26Å; L71-L73 PolarHBondContact O-N 3.5Å; L71-C74 PolarHBondContact O-N 3.25Å; L71-G75 PolarHBondContact O-N 3.41Å; L71-L105 HydrophobicContact CD2-CD1 4.26Å; L71-L105 HydrophobicContact CD2-CD2 4.24Å
72S89.1Confident87.6Confident48 Ų4843.7 Ų43.734%0.33625%0.248SC..Hα-helixtrans-64.8-30175.287.50000112.7K22 T68 E69 M70 Y76K22-S72 PolarHBondContact NZ-OG 3.37Å; T68-S72 WeakPolarHBondContact O-CB 3.42Å; T68-S72 PolarHBondContact O-N 3.36Å; E69-S72 CarbonylContact O-C 3.47Å; E69-S72 WeakPolarHBondContact O-CB 3.49Å; E69-S72 PolarHBondContact O-N 2.94Å; E69-S72 PolarHBondContact O-OG 3.39Å; M70-S72 VanDerWaalsContact C-N 3.29Å; M70-S72 PolarHBondContact O-N 3.36Å; S72-Y76 WeakPolarHBondContact O-CB 3.43Å; S72-Y76 PolarHBondContact O-N 3.37Å
73L89.2Confident88Confident0 Ų043.3 Ų43.30%025%0.246CC..Hα-helixtrans-73.3-43.6175.2179.763.1000111F8 I18 I21 K22 A58 E69 M70 L71 G75 Y76 L77F8-L73 HydrophobicContact CE1-CD2 4.45Å; F8-L73 HydrophobicContact CE2-CD2 3.54Å; F8-L73 HydrophobicContact CZ-CD2 3.37Å; I18-L73 HydrophobicContact CG2-CB 4.16Å; I18-L73 HydrophobicContact CG2-CD1 4.35Å; I18-L73 HydrophobicContact CG2-CD2 4.37Å; I21-L73 HydrophobicContact CG2-CD1 4.08Å; I21-L73 HydrophobicContact CG2-CD2 4.46Å; K22-L73 HydrophobicContact CG-CD1 3.69Å; A58-L73 HydrophobicContact CB-CD2 4.09Å; A58-L73 HydrophobicContact CB-CG 4.49Å; E69-L73 PolarHBondContact O-N 3.46Å; M70-L73 WeakPolarHBondContact O-CB 3.09Å; M70-L73 PolarHBondContact O-N 3.22Å; M70-L73 VanDerWaalsContact O-N 3.08Å; M70-L73 HydrophobicContact SD-CD2 4.11Å; L71-L73 VanDerWaalsContact C-N 3.26Å; L71-L73 PolarHBondContact O-N 3.5Å; L73-G75 PolarHBondContact O-N 3.01Å; L73-Y76 PolarHBondContact O-N 3.36Å; L73-L77 HydrophobicContact CD1-CG 4.38Å; L73-L77 HydrophobicContact CG-CD1 4.25Å; L73-L77 HydrophobicContact CG-CG 4.46Å; L73-L77 WeakPolarHBondContact O-CB 3.45Å; L73-L77 VanDerWaalsContact O-CG 3.3Å; L73-L77 WeakPolarHBondContact O-CG 3.36Å; L73-L77 PolarHBondContact O-N 3.26Å
74C89.7Confident88.6Confident0 Ų040.4 Ų40.40%023%0.23CC..Hα-helixtrans-56.5-49.6173.9-74.30000111.6F59 M70 L71 Y76 L77 T78F59-C74 HydrophobicContact CE1-CB 4.34Å; F59-C74 HydrophobicContact CE2-CB 4.3Å; F59-C74 HydrophobicContact CZ-CB 4.06Å; M70-C74 PolarHBondContact O-N 2.98Å; L71-C74 PolarHBondContact O-N 3.25Å; C74-Y76 VanDerWaalsContact C-N 3.34Å; C74-Y76 PolarHBondContact O-N 3.43Å; C74-L77 WeakPolarHBondContact O-CB 3.47Å; C74-L77 PolarHBondContact O-N 3.09Å; C74-T78 PolarHBondContact O-N 3.4Å; C74-T78 VanDerWaalsContact O-N 3.09Å; C74-T78 PolarHBondContact O-OG1 2.79Å; C74-T78 VanDerWaalsContact O-OG1 3.07Å
75G90.7Very high89.1Confident21 Ų2135 Ų3522%0.21620%0.201CC..Hα-helixtrans-61.4-41.5175.900000112.7L71 L73 L77 T78 E79L71-G75 PolarHBondContact O-N 3.41Å; L73-G75 PolarHBondContact O-N 3.01Å; G75-L77 PolarHBondContact O-N 3.35Å; G75-T78 WeakPolarHBondContact O-CB 3.26Å; G75-T78 PolarHBondContact O-N 3.03Å; G75-E79 WeakPolarHBondContact O-CB 3Å; G75-E79 PolarHBondContact O-N 2.74Å
76Y92Very high89.8Confident37 Ų3732.3 Ų32.315%0.14518%0.182CC..Hα-helixtrans-64.9-37.4176.8-170.1-79.5000112.6K22 V25 H26 R33 S72 L73 C74 E79 F80K22-Y76 HydrophobicContact CB-CD1 3.87Å; K22-Y76 HydrophobicContact CB-CD2 4.44Å; K22-Y76 HydrophobicContact CB-CE1 3.63Å; K22-Y76 HydrophobicContact CB-CE2 4.21Å; K22-Y76 HydrophobicContact CB-CG 4.27Å; K22-Y76 HydrophobicContact CD-CD1 4.28Å; K22-Y76 HydrophobicContact CD-CD2 3.84Å; K22-Y76 HydrophobicContact CD-CE2 4.24Å; K22-Y76 HydrophobicContact CD-CG 3.85Å; K22-Y76 HydrophobicContact CG-CD1 3.67Å; K22-Y76 HydrophobicContact CG-CD2 4.14Å; K22-Y76 HydrophobicContact CG-CE1 4Å; K22-Y76 HydrophobicContact CG-CE2 4.41Å; K22-Y76 HydrophobicContact CG-CG 3.75Å; K22-Y76 WeakPolarHBondContact O-CE1 3.46Å; K22-Y76 PolarHBondContact O-OH 3.1Å; V25-Y76 HydrophobicContact CG2-CD1 4.26Å; V25-Y76 HydrophobicContact CG2-CE1 4.2Å; H26-Y76 HydrophobicContact CB-CE1 4.49Å; H26-Y76 AromaticContact ND1-CZ 3.81Å; H26-Y76 PolarHBondContact ND1-OH 3Å; R33-Y76 PolarHBondContact NH1-OH 3.24Å; S72-Y76 WeakPolarHBondContact O-CB 3.43Å; S72-Y76 PolarHBondContact O-N 3.37Å; L73-Y76 PolarHBondContact O-N 3.36Å; C74-Y76 VanDerWaalsContact C-N 3.34Å; C74-Y76 PolarHBondContact O-N 3.43Å; Y76-E79 PolarHBondContact O-N 3.43Å; Y76-F80 HydrophobicContact CD1-CB 4.2Å; Y76-F80 HydrophobicContact CD1-CD2 4.12Å; Y76-F80 AromaticContact CD2-CD2 3.41Å; Y76-F80 HydrophobicContact CD2-CD2 3.41Å; Y76-F80 VanDerWaalsContact CD2-CD2 3.41Å; Y76-F80 AromaticContact CD2-CE2 3.82Å; Y76-F80 HydrophobicContact CD2-CE2 3.82Å; Y76-F80 HydrophobicContact CD2-CG 4.47Å; Y76-F80 HydrophobicContact CE1-CB 3.82Å; Y76-F80 HydrophobicContact CE1-CD2 4.08Å; Y76-F80 HydrophobicContact CE1-CG 4.31Å; Y76-F80 AromaticContact CE2-CD2 3.39Å; Y76-F80 HydrophobicContact CE2-CD2 3.39Å; Y76-F80 AromaticContact CE2-CE2 3.81Å; Y76-F80 HydrophobicContact CE2-CE2 3.81Å; Y76-F80 HydrophobicContact CE2-CG 4.16Å; Y76-F80 AromaticContact CG-CD2 3.8Å; Y76-F80 HydrophobicContact CG-CD2 3.8Å; Y76-F80 AromaticContact CZ-CD2 3.75Å; Y76-F80 PolarHBondContact O-N 2.81Å
77L92.9Very high90.5Very high0 Ų027.8 Ų27.80%015%0.153CC..Hα-helixtrans-60.8-46.4173.4-73.7167.6000109.9V25 F51 I54 A58 L73 C74 G75 E79 S81V25-L77 HydrophobicContact CB-CD2 4Å; V25-L77 HydrophobicContact CG1-CD2 4.05Å; V25-L77 HydrophobicContact CG2-CD2 3.68Å; F51-L77 HydrophobicContact CE2-CD2 3.95Å; F51-L77 HydrophobicContact CZ-CD2 4.3Å; I54-L77 HydrophobicContact CG2-CD2 4.49Å; A58-L77 HydrophobicContact CB-CD1 4.05Å; L73-L77 HydrophobicContact CD1-CG 4.38Å; L73-L77 HydrophobicContact CG-CD1 4.25Å; L73-L77 HydrophobicContact CG-CG 4.46Å; L73-L77 WeakPolarHBondContact O-CB 3.45Å; L73-L77 VanDerWaalsContact O-CG 3.3Å; L73-L77 WeakPolarHBondContact O-CG 3.36Å; L73-L77 PolarHBondContact O-N 3.26Å; C74-L77 WeakPolarHBondContact O-CB 3.47Å; C74-L77 PolarHBondContact O-N 3.09Å; G75-L77 PolarHBondContact O-N 3.35Å; L77-E79 PolarHBondContact O-N 2.69Å; L77-S81 WeakPolarHBondContact O-CB 3.43Å; L77-S81 PolarHBondContact O-N 3.18Å; L77-S81 PolarHBondContact O-OG 2.9Å
78T92.3Very high91Very high0 Ų027.8 Ų27.80%015%0.149CC..Hα-helixtrans-59.7-46.5176.8-48.40000112.2C74 G75 W86 E109 F113 L117 R119C74-T78 PolarHBondContact O-N 3.4Å; C74-T78 VanDerWaalsContact O-N 3.09Å; C74-T78 PolarHBondContact O-OG1 2.79Å; C74-T78 VanDerWaalsContact O-OG1 3.07Å; G75-T78 WeakPolarHBondContact O-CB 3.26Å; G75-T78 PolarHBondContact O-N 3.03Å; T78-W86 HydrophobicContact CG2-CH2 3.86Å; T78-W86 HydrophobicContact CG2-CZ2 3.61Å; T78-W86 WeakPolarHBondContact OG1-CZ2 3.31Å; T78-E109 WeakPolarHBondContact CB-OE2 3.48Å; T78-E109 HydrophobicContact CG2-CB 4.47Å; T78-E109 WeakPolarHBondContact CG2-O 3.32Å; T78-E109 PolarHBondContact OG1-OE2 2.9Å; T78-F113 HydrophobicContact CG2-CB 4.04Å; T78-F113 HydrophobicContact CG2-CD2 4.43Å; T78-L117 HydrophobicContact CG2-CD1 3.59Å; T78-R119 PolarHBondContact O-NE 2.84Å; T78-R119 PolarHBondContact O-NH2 3.44Å; T78-R119 VanDerWaalsContact O-NH2 3.15Å
79E92.9Very high91.4Very high86 Ų8621.9 Ų21.940%0.40211%0.113SC..Hα-helixtrans-78.7-33.7-171.5-173.1178.1179.900114.3G75 Y76 L77 L117 R119G75-E79 WeakPolarHBondContact O-CB 3Å; G75-E79 PolarHBondContact O-N 2.74Å; Y76-E79 PolarHBondContact O-N 3.43Å; L77-E79 PolarHBondContact O-N 2.69Å; E79-L117 HydrophobicContact CB-CD1 4.24Å; E79-L117 HydrophobicContact CB-CD2 4.42Å; E79-L117 HydrophobicContact CG-CD2 4.06Å; E79-R119 VanDerWaalsContact C-CZ 3.46Å; E79-R119 PolarHBondContact O-NE 3.2Å; E79-R119 PolarHBondContact O-NH1 2.67Å; E79-R119 PolarHBondContact O-NH2 3.15Å
80F92.4Very high91.7Very high61 Ų6119 Ų1927%0.26810%0.1SC..Hα-helixtrans-126-7-167.5-64.5-66.6000115.8H26 Y27 Y76H26-F80 AromaticContact CE1-CD1 3.46Å; H26-F80 VanDerWaalsContact CE1-CD1 3.46Å; H26-F80 WeakPolarHBondContact CE1-CD1 3.2Å; H26-F80 AromaticContact CE1-CG 3.87Å; H26-F80 WeakPolarHBondContact ND1-CB 3.37Å; H26-F80 AromaticContact ND1-CD1 3.76Å; H26-F80 AromaticContact ND1-CG 3.67Å; Y27-F80 PolarHBondContact N-O 3.46Å; Y76-F80 HydrophobicContact CD1-CB 4.2Å; Y76-F80 HydrophobicContact CD1-CD2 4.12Å; Y76-F80 AromaticContact CD2-CD2 3.41Å; Y76-F80 HydrophobicContact CD2-CD2 3.41Å; Y76-F80 VanDerWaalsContact CD2-CD2 3.41Å; Y76-F80 AromaticContact CD2-CE2 3.82Å; Y76-F80 HydrophobicContact CD2-CE2 3.82Å; Y76-F80 HydrophobicContact CD2-CG 4.47Å; Y76-F80 HydrophobicContact CE1-CB 3.82Å; Y76-F80 HydrophobicContact CE1-CD2 4.08Å; Y76-F80 HydrophobicContact CE1-CG 4.31Å; Y76-F80 AromaticContact CE2-CD2 3.39Å; Y76-F80 HydrophobicContact CE2-CD2 3.39Å; Y76-F80 AromaticContact CE2-CE2 3.81Å; Y76-F80 HydrophobicContact CE2-CE2 3.81Å; Y76-F80 HydrophobicContact CE2-CG 4.16Å; Y76-F80 AromaticContact CG-CD2 3.8Å; Y76-F80 HydrophobicContact CG-CD2 3.8Å; Y76-F80 AromaticContact CZ-CD2 3.75Å; Y76-F80 PolarHBondContact O-N 2.81Å
81S92.8Very high92Very high0 Ų019 Ų190%010%0.1CC..SBendtrans-77.1173.1178.571.50000113.4V25 F51 L77 S83 W86 R119V25-S81 VanDerWaalsContact O-CA 3.27Å; V25-S81 WeakPolarHBondContact O-CA 3.39Å; F51-S81 WeakPolarHBondContact CZ-OG 3.46Å; L77-S81 WeakPolarHBondContact O-CB 3.43Å; L77-S81 PolarHBondContact O-N 3.18Å; L77-S81 PolarHBondContact O-OG 2.9Å; S81-S83 PolarHBondContact O-N 2.89Å; S81-S83 VanDerWaalsContact O-N 3.09Å; S81-W86 WeakPolarHBondContact OG-CB 3.13Å; S81-R119 PolarHBondContact O-NH2 2.87Å
82K92.8Very high92.1Very high15 Ų1518.2 Ų18.27%0.06510%0.096CC..  trans-64.7111.6174.7-162.5-169.8175.9-163.30109.7Y27 Y47 D84 I85 W86 A126 E130Y27-K82 HydrophobicContact CD1-CB 4.23Å; Y27-K82 HydrophobicContact CD1-CG 3.94Å; Y27-K82 HydrophobicContact CD2-CB 4.02Å; Y27-K82 HydrophobicContact CD2-CD 4.37Å; Y27-K82 HydrophobicContact CD2-CG 3.89Å; Y27-K82 HydrophobicContact CE1-CG 3.96Å; Y27-K82 HydrophobicContact CE2-CD 4.14Å; Y27-K82 HydrophobicContact CE2-CG 3.94Å; Y27-K82 HydrophobicContact CG-CB 3.83Å; Y27-K82 HydrophobicContact CG-CG 3.88Å; Y47-K82 HydrophobicContact CD1-CB 4.09Å; Y47-K82 HydrophobicContact CD2-CD 4.49Å; Y47-K82 HydrophobicContact CE1-CB 3.58Å; Y47-K82 HydrophobicContact CE2-CB 4.48Å; K82-D84 VanDerWaalsContact C-N 3.34Å; K82-D84 VanDerWaalsContact CD-OD1 3.3Å; K82-D84 WeakPolarHBondContact CD-OD1 3.49Å; K82-D84 WeakPolarHBondContact CE-OD1 3.41Å; K82-D84 VanDerWaalsContact CG-OD1 3.26Å; K82-D84 WeakPolarHBondContact CG-OD1 3.45Å; K82-D84 IonicContact NZ-OD1 3.43Å; K82-D84 PolarHBondContact O-N 3.19Å; K82-I85 HydrophobicContact CD-CD1 3.69Å; K82-I85 HydrophobicContact CD-CG1 4.04Å; K82-I85 PolarHBondContact O-N 3.32Å; K82-W86 PolarHBondContact O-N 2.63Å; K82-A126 HydrophobicContact CG-CB 3.85Å; K82-E130 IonicContact NZ-OE2 3.02Å; K82-E130 PolarHBondContact NZ-OE2 2.66Å
83S93Very high92.1Very high1 Ų117.6 Ų17.61%0.0079%0.088CC..Hα-helixtrans-61.6-34.3-164.8-63.50000114.8S81 L87 R119 D122S81-S83 PolarHBondContact O-N 2.89Å; S81-S83 VanDerWaalsContact O-N 3.09Å; S83-L87 WeakPolarHBondContact O-CB 3.43Å; S83-L87 PolarHBondContact O-N 3.15Å; S83-R119 PolarHBondContact OG-NH1 3.37Å; S83-R119 PolarHBondContact OG-NH2 2.83Å; S83-D122 WeakPolarHBondContact OG-CB 3.48Å
84D93Very high91.9Very high0 Ų017.8 Ų17.80%09%0.089CC..Hα-helixtrans-70.9-40.1-179.875-56.7000112.9K82 E88 F123 A126 C127 R143K82-D84 VanDerWaalsContact C-N 3.34Å; K82-D84 VanDerWaalsContact CD-OD1 3.3Å; K82-D84 WeakPolarHBondContact CD-OD1 3.49Å; K82-D84 WeakPolarHBondContact CE-OD1 3.41Å; K82-D84 VanDerWaalsContact CG-OD1 3.26Å; K82-D84 WeakPolarHBondContact CG-OD1 3.45Å; K82-D84 IonicContact NZ-OD1 3.43Å; K82-D84 PolarHBondContact O-N 3.19Å; D84-E88 WeakPolarHBondContact O-CB 3.34Å; D84-E88 PolarHBondContact O-N 3.04Å; D84-F123 VanDerWaalsContact CA-CD2 3.42Å; D84-F123 HydrophobicContact CB-CD2 3.79Å; D84-F123 HydrophobicContact CB-CE2 3.74Å; D84-F123 HydrophobicContact CB-CG 4.48Å; D84-F123 HydrophobicContact CB-CZ 4.43Å; D84-A126 HydrophobicContact CB-CB 4.43Å; D84-C127 VanDerWaalsContact CB-SG 3.58Å; D84-R143 IonicContact OD2-CZ 3.02Å; D84-R143 IonicContact OD2-NE 2.73Å; D84-R143 PolarHBondContact OD2-NE 3.42Å; D84-R143 IonicContact OD2-NH2 2.75Å; D84-R143 PolarHBondContact OD2-NH2 2.77Å
85I93.1Very high91.7Very high4 Ų421.1 Ų21.12%0.02111%0.112CC..Hα-helixtrans-75.4-38.4178.1-59.5-175.1000110.9Y47 F51 K82 L87 E88 C89Y47-I85 VanDerWaalsContact CB-CD1 3.42Å; Y47-I85 HydrophobicContact CD1-CD1 3.89Å; Y47-I85 HydrophobicContact CD1-CG2 4.5Å; Y47-I85 HydrophobicContact CG-CD1 3.79Å; F51-I85 HydrophobicContact CD1-CG2 3.61Å; F51-I85 HydrophobicContact CE1-CG2 4.13Å; F51-I85 HydrophobicContact CG-CG2 4.19Å; K82-I85 HydrophobicContact CD-CD1 3.69Å; K82-I85 HydrophobicContact CD-CG1 4.04Å; K82-I85 PolarHBondContact O-N 3.32Å; I85-L87 VanDerWaalsContact C-N 3.32Å; I85-L87 PolarHBondContact O-N 3.29Å; I85-E88 PolarHBondContact O-N 3.34Å; I85-C89 VanDerWaalsContact O-CB 3.32Å; I85-C89 WeakPolarHBondContact O-CB 3.42Å; I85-C89 PolarHBondContact O-N 3.36Å
86W95.3Very high91.2Very high0 Ų027.1 Ų27.10%014%0.135CC..Hα-helixtrans-58-46.8171.9-175.493.1000111.3F51 M55 T78 S81 K82 E88 C89 A90 E109 L110 F113F51-W86 HydrophobicContact CE1-CB 4.33Å; F51-W86 HydrophobicContact CZ-CB 4.19Å; M55-W86 HydrophobicContact CE-CD2 4.25Å; M55-W86 HydrophobicContact CE-CG 4.3Å; M55-W86 HydrophobicContact CE-CZ2 4.14Å; M55-W86 HydrophobicContact SD-CG 4.4Å; T78-W86 HydrophobicContact CG2-CH2 3.86Å; T78-W86 HydrophobicContact CG2-CZ2 3.61Å; T78-W86 WeakPolarHBondContact OG1-CZ2 3.31Å; S81-W86 WeakPolarHBondContact OG-CB 3.13Å; K82-W86 PolarHBondContact O-N 2.63Å; W86-E88 VanDerWaalsContact C-N 3.35Å; W86-E88 PolarHBondContact O-N 3.3Å; W86-C89 PolarHBondContact O-N 3.11Å; W86-A90 HydrophobicContact CE3-CB 4.45Å; W86-A90 HydrophobicContact CH2-CB 4.34Å; W86-A90 HydrophobicContact CZ3-CB 4.26Å; W86-A90 VanDerWaalsContact O-CB 3.31Å; W86-A90 WeakPolarHBondContact O-CB 3.39Å; W86-A90 PolarHBondContact O-N 3.47Å; W86-E109 HydrophobicContact CZ2-CB 4.23Å; W86-L110 HydrophobicContact CH2-CB 4.38Å; W86-L110 HydrophobicContact CH2-CD1 4.21Å; W86-L110 HydrophobicContact CZ3-CD1 3.93Å; W86-F113 HydrophobicContact CD2-CD2 4.24Å; W86-F113 AromaticContact CE3-CD2 3.37Å; W86-F113 HydrophobicContact CE3-CD2 3.37Å; W86-F113 AromaticContact CE3-CE2 3.65Å; W86-F113 HydrophobicContact CE3-CE2 3.65Å; W86-F113 HydrophobicContact CE3-CG 4.04Å; W86-F113 HydrophobicContact CH2-CB 3.86Å; W86-F113 HydrophobicContact CH2-CD2 4.15Å; W86-F113 HydrophobicContact CH2-CG 4.23Å; W86-F113 HydrophobicContact CZ3-CB 3.63Å; W86-F113 HydrophobicContact CZ3-CD1 4.32Å; W86-F113 AromaticContact CZ3-CD2 3.32Å; W86-F113 HydrophobicContact CZ3-CD2 3.32Å; W86-F113 HydrophobicContact CZ3-CE2 4.01Å; W86-F113 AromaticContact CZ3-CG 3.5Å; W86-F113 HydrophobicContact CZ3-CG 3.5Å
87L95Very high90.2Very high0 Ų028 Ų280%014%0.142CC..Hα-helixtrans-65.6-39.1179.1-172.464.6000111.9S83 I85 A90 C91 L110 F113 F114 F123 L146 L147 V150S83-L87 WeakPolarHBondContact O-CB 3.43Å; S83-L87 PolarHBondContact O-N 3.15Å; I85-L87 VanDerWaalsContact C-N 3.32Å; I85-L87 PolarHBondContact O-N 3.29Å; L87-A90 PolarHBondContact O-N 2.93Å; L87-C91 WeakPolarHBondContact O-CB 3.46Å; L87-C91 PolarHBondContact O-N 3.38Å; L87-C91 PolarHBondContact O-SG 3.17Å; L87-L110 HydrophobicContact CD1-CD1 3.58Å; L87-F113 HydrophobicContact CD1-CE1 4.44Å; L87-F114 HydrophobicContact CD1-CE2 4.1Å; L87-F114 HydrophobicContact CD1-CZ 4.31Å; L87-F114 HydrophobicContact CD2-CZ 4.49Å; L87-F123 HydrophobicContact CB-CD2 4.28Å; L87-F123 HydrophobicContact CB-CE2 4.3Å; L87-F123 HydrophobicContact CD2-CD2 3.78Å; L87-F123 HydrophobicContact CD2-CE2 3.63Å; L87-F123 HydrophobicContact CD2-CZ 4.46Å; L87-L146 HydrophobicContact CB-CD2 4.39Å; L87-L146 HydrophobicContact CD2-CD2 4.41Å; L87-L146 HydrophobicContact CD2-CG 4.3Å; L87-L146 HydrophobicContact CG-CD2 4.27Å; L87-L146 HydrophobicContact CG-CG 4.29Å; L87-L147 HydrophobicContact CD2-CD1 3.88Å; L87-V150 HydrophobicContact CD1-CG2 3.97Å; L87-V150 HydrophobicContact CD2-CG2 4.16Å; L87-V150 HydrophobicContact CG-CG2 4.37Å
88E94.1Very high88.6Confident48 Ų4834.6 Ų34.622%0.22418%0.182CC..Hα-helixtrans-62.2-49.4175.7177.7166.5-138.100111.1D84 I85 W86 A90 C91 N92 R143 L146D84-E88 WeakPolarHBondContact O-CB 3.34Å; D84-E88 PolarHBondContact O-N 3.04Å; I85-E88 PolarHBondContact O-N 3.34Å; W86-E88 VanDerWaalsContact C-N 3.35Å; W86-E88 PolarHBondContact O-N 3.3Å; E88-A90 PolarHBondContact O-N 3.35Å; E88-C91 PolarHBondContact O-N 3.14Å; E88-N92 WeakPolarHBondContact O-CB 3.45Å; E88-N92 PolarHBondContact O-N 2.97Å; E88-N92 PolarHBondContact O-ND2 3.46Å; E88-R143 IonicContact OE1-NH1 3.22Å; E88-R143 PolarHBondContact OE1-NH1 3.27Å; E88-R143 VanDerWaalsContact OE1-NH1 3.12Å; E88-R143 IonicContact OE2-CZ 3.67Å; E88-R143 IonicContact OE2-NH1 3.39Å; E88-R143 PolarHBondContact OE2-NH1 2.58Å; E88-R143 IonicContact OE2-NH2 3.8Å; E88-R143 PolarHBondContact OE2-NH2 3.12Å; E88-L146 HydrophobicContact CB-CD2 3.73Å
89C92Very high87.3Confident3 Ų338.4 Ų38.42%0.0221%0.205CC..Hα-helixtrans-62.7-43.7178.5-173.10000111.2F51 M55 I85 W86 C91 N92 M93F51-C89 HydrophobicContact CE1-CB 4.37Å; M55-C89 HydrophobicContact SD-CB 3.67Å; I85-C89 VanDerWaalsContact O-CB 3.32Å; I85-C89 WeakPolarHBondContact O-CB 3.42Å; I85-C89 PolarHBondContact O-N 3.36Å; W86-C89 PolarHBondContact O-N 3.11Å; C89-C91 PolarHBondContact O-N 2.89Å; C89-N92 PolarHBondContact O-N 3.32Å; C89-M93 WeakPolarHBondContact O-CB 3.4Å; C89-M93 VanDerWaalsContact O-CG 3.28Å; C89-M93 WeakPolarHBondContact O-CG 3.37Å; C89-M93 PolarHBondContact O-N 2.89Å
90A91.5Very high85.9Confident0 Ų038.9 Ų38.90%022%0.215CC..Hα-helixtrans-58.7-48.7175.500000112.1M55 W86 L87 E88 N92 M93 L94 L106M55-A90 HydrophobicContact CE-CB 3.92Å; W86-A90 HydrophobicContact CE3-CB 4.45Å; W86-A90 HydrophobicContact CH2-CB 4.34Å; W86-A90 HydrophobicContact CZ3-CB 4.26Å; W86-A90 VanDerWaalsContact O-CB 3.31Å; W86-A90 WeakPolarHBondContact O-CB 3.39Å; W86-A90 PolarHBondContact O-N 3.47Å; L87-A90 PolarHBondContact O-N 2.93Å; E88-A90 PolarHBondContact O-N 3.35Å; A90-N92 PolarHBondContact O-N 2.94Å; A90-M93 PolarHBondContact O-N 3.45Å; A90-L94 WeakPolarHBondContact O-CG 3.43Å; A90-L94 PolarHBondContact O-N 2.94Å; A90-L106 HydrophobicContact CB-CD1 3.97Å
91C91.2Very high84.7Confident0 Ų041.2 Ų41.20%024%0.235CC..Hα-helixtrans-65.6-38.7179.2-660000112.4L87 E88 C89 L94 S95 L146 Y153L87-C91 WeakPolarHBondContact O-CB 3.46Å; L87-C91 PolarHBondContact O-N 3.38Å; L87-C91 PolarHBondContact O-SG 3.17Å; E88-C91 PolarHBondContact O-N 3.14Å; C89-C91 PolarHBondContact O-N 2.89Å; C91-L94 PolarHBondContact O-N 3.46Å; C91-S95 PolarHBondContact O-N 3.11Å; C91-L146 HydrophobicContact CB-CD1 3.63Å; C91-Y153 HydrophobicContact CB-CD1 4.35Å; C91-Y153 HydrophobicContact CB-CD2 3.95Å; C91-Y153 HydrophobicContact CB-CE1 4.42Å; C91-Y153 HydrophobicContact CB-CE2 4.02Å; C91-Y153 HydrophobicContact CB-CG 4.12Å
92N90.1Very high83.6Confident59 Ų5942.2 Ų42.232%0.31624%0.243SC..Hα-helixtrans-66.2-40175.5-72.6-21.3000111.8E88 C89 A90 S95 H96E88-N92 WeakPolarHBondContact O-CB 3.45Å; E88-N92 PolarHBondContact O-N 2.97Å; E88-N92 PolarHBondContact O-ND2 3.46Å; C89-N92 PolarHBondContact O-N 3.32Å; A90-N92 PolarHBondContact O-N 2.94Å; N92-S95 PolarHBondContact O-N 3.45Å; N92-S95 PolarHBondContact O-OG 3.11Å; N92-H96 PolarHBondContact O-CD2 3.48Å; N92-H96 PolarHBondContact O-N 2.89Å; N92-H96 VanDerWaalsContact O-N 3.14Å
93M87.6Confident82.9Confident34 Ų3441.6 Ų41.617%0.16724%0.241CC..Hα-helixtrans-65-40.6173.9-72.8-176.470.400111.4M55 F59 C89 A90 S95 H96 N97 L106M55-M93 HydrophobicContact CG-SD 4.24Å; F59-M93 HydrophobicContact CB-CE 3.96Å; C89-M93 WeakPolarHBondContact O-CB 3.4Å; C89-M93 VanDerWaalsContact O-CG 3.28Å; C89-M93 WeakPolarHBondContact O-CG 3.37Å; C89-M93 PolarHBondContact O-N 2.89Å; A90-M93 PolarHBondContact O-N 3.45Å; M93-S95 VanDerWaalsContact C-N 3.32Å; M93-S95 PolarHBondContact O-N 3.48Å; M93-H96 PolarHBondContact O-N 3.03Å; M93-N97 VanDerWaalsContact O-CB 3.25Å; M93-N97 WeakPolarHBondContact O-CB 3.42Å; M93-N97 PolarHBondContact O-N 3.4Å; M93-N97 PolarHBondContact O-ND2 3.15Å; M93-N97 VanDerWaalsContact O-ND2 3.11Å; M93-L106 HydrophobicContact CB-CD2 3.58Å
94L86Confident82.4Confident5 Ų546.9 Ų46.93%0.02627%0.265CS..Hα-helixtrans-63.1-35.5175-71.9174000112.9A90 C91 A103 L106 L107 L110 V157A90-L94 WeakPolarHBondContact O-CG 3.43Å; A90-L94 PolarHBondContact O-N 2.94Å; C91-L94 PolarHBondContact O-N 3.46Å; L94-A103 HydrophobicContact CD2-CB 4.1Å; L94-L106 HydrophobicContact CD2-CB 4.5Å; L94-L106 HydrophobicContact CD2-CD2 3.77Å; L94-L106 HydrophobicContact CD2-CG 4.15Å; L94-L106 HydrophobicContact CG-CD2 3.71Å; L94-L106 HydrophobicContact CG-CG 4.24Å; L94-L107 HydrophobicContact CD1-CD2 3.97Å; L94-L107 HydrophobicContact CD2-CD2 3.81Å; L94-L107 HydrophobicContact CD2-CG 3.96Å; L94-L110 HydrophobicContact CD1-CD2 3.58Å; L94-V157 HydrophobicContact CB-CG2 4.36Å; L94-V157 HydrophobicContact CD2-CG2 4.19Å
95S84.7Confident82Confident69 Ų6948.2 Ų48.248%0.48327%0.272SS..Hα-helixtrans-74-29.3178.669.40000113.4C91 N92 M93C91-S95 PolarHBondContact O-N 3.11Å; N92-S95 PolarHBondContact O-N 3.45Å; N92-S95 PolarHBondContact O-OG 3.11Å; M93-S95 VanDerWaalsContact C-N 3.32Å; M93-S95 PolarHBondContact O-N 3.48Å
96H81.5Confident81.8Confident148 Ų14848.1 Ų48.169%0.68527%0.271SS*.Hα-helixtrans-93.3-16.8179.3-71.7-61.8000114.6N92 M93 V98N92-H96 PolarHBondContact O-CD2 3.48Å; N92-H96 PolarHBondContact O-N 2.89Å; N92-H96 VanDerWaalsContact O-N 3.14Å; M93-H96 PolarHBondContact O-N 3.03Å; H96-V98 PolarHBondContact O-N 2.86Å; H96-V98 VanDerWaalsContact O-N 3.16Å
97N69.6Low81.4Confident56 Ų5648.2 Ų48.230%0.29927%0.272SS..  trans-69.6111-177.4-85.4-25.2000112M93 A103M93-N97 VanDerWaalsContact O-CB 3.25Å; M93-N97 WeakPolarHBondContact O-CB 3.42Å; M93-N97 PolarHBondContact O-N 3.4Å; M93-N97 PolarHBondContact O-ND2 3.15Å; M93-N97 VanDerWaalsContact O-ND2 3.11Å; N97-A103 HydrophobicContact CB-CB 4.46Å
98V59.7Low81.1Confident138 Ų13850.3 Ų50.384%0.83629%0.285SS*.  trans-78.2-24.9175.2-175.20000111.8H96H96-V98 PolarHBondContact O-N 2.86Å; H96-V98 VanDerWaalsContact O-N 3.16Å
99V64Low80.9Confident79 Ų7948.5 Ų48.548%0.47928%0.276SS..  trans-103.6117-173-169.90000110.9T101 A102V99-T101 VanDerWaalsContact C-N 3.31Å; V99-T101 VanDerWaalsContact CG1-OG1 3.25Å; V99-T101 WeakPolarHBondContact CG1-OG1 3.47Å; V99-T101 PolarHBondContact O-N 3.45Å; V99-A102 HydrophobicContact CB-CB 4.36Å; V99-A102 PolarHBondContact O-N 3.48Å
100P65.1Low80.8Confident96 Ų9648.4 Ų48.462%0.62328%0.275SS*.Hα-helixtrans-61.8-32.9-177.1-23.732.5000114.6A103 H104P100-A103 PolarHBondContact O-N 3.36Å; P100-H104 PolarHBondContact O-N 3.08Å
101T67Low80.8Confident110 Ų11050.3 Ų50.368%0.67528%0.284SS*.Hα-helixtrans-66.1-42.3-179.8480000111.7V99 A103 H104V99-T101 VanDerWaalsContact C-N 3.31Å; V99-T101 VanDerWaalsContact CG1-OG1 3.25Å; V99-T101 WeakPolarHBondContact CG1-OG1 3.47Å; V99-T101 PolarHBondContact O-N 3.45Å; T101-A103 PolarHBondContact O-N 3.24Å; T101-H104 WeakPolarHBondContact O-CB 3.26Å; T101-H104 PolarHBondContact O-N 2.89Å; T101-H104 VanDerWaalsContact O-N 3.09Å
102A68.5Low80.8Confident22 Ų2253.3 Ų53.318%0.18230%0.297CS..Hα-helixtrans-64.4-26.917800000112.9N63 V99N63-A102 WeakPolarHBondContact ND2-CA 3.28Å; N63-A102 WeakPolarHBondContact ND2-CB 3.49Å; N63-A102 PolarHBondContact ND2-O 3.47Å; V99-A102 HydrophobicContact CB-CB 4.36Å; V99-A102 PolarHBondContact O-N 3.48Å
103A79.2Confident81Confident1 Ų150.5 Ų50.51%0.00828%0.282CS..Hα-helixtrans-80.6-1517700000113.4L94 N97 P100 T101 L106 L107 V157L94-A103 HydrophobicContact CD2-CB 4.1Å; N97-A103 HydrophobicContact CB-CB 4.46Å; P100-A103 PolarHBondContact O-N 3.36Å; T101-A103 PolarHBondContact O-N 3.24Å; A103-L106 PolarHBondContact O-N 3.41Å; A103-L107 WeakPolarHBondContact O-CB 3.34Å; A103-L107 VanDerWaalsContact O-CG 3.24Å; A103-L107 WeakPolarHBondContact O-CG 3.46Å; A103-L107 PolarHBondContact O-N 3.18Å; A103-V157 HydrophobicContact CB-CG1 3.58Å
104H81.9Confident81.3Confident112 Ų11248.9 Ų48.952%0.51928%0.275SS..Hα-helixtrans-64-49.5-174.4-175.371000112.6P100 T101 L106 L107 V108P100-H104 PolarHBondContact O-N 3.08Å; T101-H104 WeakPolarHBondContact O-CB 3.26Å; T101-H104 PolarHBondContact O-N 2.89Å; T101-H104 VanDerWaalsContact O-N 3.09Å; H104-L106 VanDerWaalsContact C-N 3.32Å; H104-L106 PolarHBondContact O-N 3.44Å; H104-L107 WeakPolarHBondContact O-CB 3.4Å; H104-L107 PolarHBondContact O-N 3.41Å; H104-V108 WeakPolarHBondContact O-CG2 3.5Å; H104-V108 PolarHBondContact O-N 3.1Å
105L85Confident81.5Confident29 Ų2951.2 Ų51.215%0.15229%0.291CS..Hα-helixtrans-61.2-42.6177.6178.964.7000111.5F59 V62 L71 L107 V108 E109F59-L105 HydrophobicContact CD1-CD2 4.04Å; F59-L105 HydrophobicContact CD1-CG 4.16Å; F59-L105 HydrophobicContact CE1-CD2 4.25Å; F59-L105 HydrophobicContact CE1-CG 4.03Å; V62-L105 HydrophobicContact CB-CD2 3.92Å; V62-L105 HydrophobicContact CG1-CD2 3.39Å; V62-L105 HydrophobicContact CG2-CD2 4.5Å; L71-L105 HydrophobicContact CD2-CD1 4.26Å; L71-L105 HydrophobicContact CD2-CD2 4.24Å; L105-L107 VanDerWaalsContact C-N 3.28Å; L105-L107 PolarHBondContact O-N 2.97Å; L105-V108 PolarHBondContact O-N 3.21Å; L105-E109 HydrophobicContact CD1-CG 4.39Å; L105-E109 WeakPolarHBondContact O-CG 3.22Å; L105-E109 PolarHBondContact O-N 3Å
106L88.5Confident81.7Confident1 Ų154.8 Ų54.81%0.00530%0.3CS..Hα-helixtrans-61.4-38.8177.1-175.861.5000111.7M55 F59 A90 M93 L94 A103 H104 L110M55-L106 HydrophobicContact CE-CD1 3.89Å; F59-L106 HydrophobicContact CD1-CB 4.2Å; F59-L106 HydrophobicContact CD1-CD1 4.2Å; F59-L106 HydrophobicContact CE1-CB 4.18Å; F59-L106 HydrophobicContact CE1-CD1 3.85Å; F59-L106 HydrophobicContact CE2-CD1 4.39Å; F59-L106 HydrophobicContact CZ-CD1 3.95Å; A90-L106 HydrophobicContact CB-CD1 3.97Å; M93-L106 HydrophobicContact CB-CD2 3.58Å; L94-L106 HydrophobicContact CD2-CB 4.5Å; L94-L106 HydrophobicContact CD2-CD2 3.77Å; L94-L106 HydrophobicContact CD2-CG 4.15Å; L94-L106 HydrophobicContact CG-CD2 3.71Å; L94-L106 HydrophobicContact CG-CG 4.24Å; A103-L106 PolarHBondContact O-N 3.41Å; H104-L106 VanDerWaalsContact C-N 3.32Å; H104-L106 PolarHBondContact O-N 3.44Å; L106-L110 WeakPolarHBondContact O-CB 3.32Å; L106-L110 PolarHBondContact O-N 3.32Å
107L87.7Confident82.1Confident3 Ų350.4 Ų50.42%0.01628%0.281CS..Hα-helixtrans-66.9-40.6173.9-72.8173.5000112.2L94 A103 H104 L105 L110 E111 V154 V157 K158L94-L107 HydrophobicContact CD1-CD2 3.97Å; L94-L107 HydrophobicContact CD2-CD2 3.81Å; L94-L107 HydrophobicContact CD2-CG 3.96Å; A103-L107 WeakPolarHBondContact O-CB 3.34Å; A103-L107 VanDerWaalsContact O-CG 3.24Å; A103-L107 WeakPolarHBondContact O-CG 3.46Å; A103-L107 PolarHBondContact O-N 3.18Å; H104-L107 WeakPolarHBondContact O-CB 3.4Å; H104-L107 PolarHBondContact O-N 3.41Å; L105-L107 VanDerWaalsContact C-N 3.28Å; L105-L107 PolarHBondContact O-N 2.97Å; L107-L110 HydrophobicContact CD2-CD2 4.48Å; L107-L110 PolarHBondContact O-N 3.34Å; L107-E111 WeakPolarHBondContact O-CB 3.25Å; L107-E111 VanDerWaalsContact O-CG 3.28Å; L107-E111 WeakPolarHBondContact O-CG 3.31Å; L107-E111 PolarHBondContact O-N 3.48Å; L107-V154 HydrophobicContact CD2-CB 4.19Å; L107-V154 HydrophobicContact CD2-CG1 3.89Å; L107-V154 HydrophobicContact CD2-CG2 3.77Å; L107-V157 HydrophobicContact CD1-CB 4.47Å; L107-V157 HydrophobicContact CD1-CG1 3.95Å; L107-K158 HydrophobicContact CD1-CD 4.04Å; L107-K158 HydrophobicContact CD1-CG 3.83Å
108V88Confident83.2Confident44 Ų4450.4 Ų50.427%0.26728%0.282SS..Hα-helixtrans-61.7-47.1175.8170.50000110.6H104 L105 L110 E111 K112H104-V108 WeakPolarHBondContact O-CG2 3.5Å; H104-V108 PolarHBondContact O-N 3.1Å; L105-V108 PolarHBondContact O-N 3.21Å; V108-L110 VanDerWaalsContact C-N 3.34Å; V108-L110 PolarHBondContact O-N 3.22Å; V108-E111 PolarHBondContact O-N 3.43Å; V108-K112 WeakPolarHBondContact O-CG 3.29Å; V108-K112 PolarHBondContact O-N 3.5Å
109E89.6Confident84.8Confident10 Ų1044.7 Ų44.75%0.04725%0.245CC..Hα-helixtrans-66-35.8177.1-69.3-57.9129.600112.3F59 T78 W86 L105 K112 F113F59-E109 HydrophobicContact CE1-CB 4.37Å; F59-E109 HydrophobicContact CE1-CG 4.12Å; F59-E109 HydrophobicContact CZ-CB 4.24Å; F59-E109 HydrophobicContact CZ-CG 4.15Å; T78-E109 WeakPolarHBondContact CB-OE2 3.48Å; T78-E109 HydrophobicContact CG2-CB 4.47Å; T78-E109 WeakPolarHBondContact CG2-O 3.32Å; T78-E109 PolarHBondContact OG1-OE2 2.9Å; W86-E109 HydrophobicContact CZ2-CB 4.23Å; L105-E109 HydrophobicContact CD1-CG 4.39Å; L105-E109 WeakPolarHBondContact O-CG 3.22Å; L105-E109 PolarHBondContact O-N 3Å; E109-K112 PolarHBondContact O-N 2.8Å; E109-K112 IonicContact OE1-NZ 3.97Å; E109-K112 PolarHBondContact OE1-NZ 3.21Å; E109-F113 WeakPolarHBondContact O-CB 3.11Å; E109-F113 PolarHBondContact O-N 3.35Å
110L91.3Very high86.2Confident0 Ų041 Ų410%022%0.222CC..Hα-helixtrans-65.7-40.2171.9-175.664.5000112.5W86 L87 L94 L106 L107 V108 F113 F114 V150 V154 F165W86-L110 HydrophobicContact CH2-CB 4.38Å; W86-L110 HydrophobicContact CH2-CD1 4.21Å; W86-L110 HydrophobicContact CZ3-CD1 3.93Å; L87-L110 HydrophobicContact CD1-CD1 3.58Å; L94-L110 HydrophobicContact CD1-CD2 3.58Å; L106-L110 WeakPolarHBondContact O-CB 3.32Å; L106-L110 PolarHBondContact O-N 3.32Å; L107-L110 HydrophobicContact CD2-CD2 4.48Å; L107-L110 PolarHBondContact O-N 3.34Å; V108-L110 VanDerWaalsContact C-N 3.34Å; V108-L110 PolarHBondContact O-N 3.22Å; L110-F113 WeakPolarHBondContact O-CB 3.41Å; L110-F113 PolarHBondContact O-N 2.92Å; L110-F114 HydrophobicContact CD1-CD2 4.44Å; L110-F114 HydrophobicContact CD1-CE2 3.95Å; L110-F114 WeakPolarHBondContact O-CD2 3.49Å; L110-V150 HydrophobicContact CD1-CG1 4.19Å; L110-V150 HydrophobicContact CD2-CG1 3.95Å; L110-V150 HydrophobicContact CG-CG1 4.28Å; L110-V154 HydrophobicContact CD2-CG2 3.71Å; L110-F165 HydrophobicContact CD2-CE2 4.36Å; L110-F165 HydrophobicContact CD2-CZ 4.36Å; L110-F165 HydrophobicContact CG-CE2 4.19Å; L110-F165 HydrophobicContact CG-CZ 3.94Å
111E90.7Very high87.5Confident40 Ų4037 Ų3719%0.18720%0.197CC..Hα-helixtrans-63.3-47.2173.7-71.4178-162.100110L107 V108 F113 F114 S115 K158 S163 F165L107-E111 WeakPolarHBondContact O-CB 3.25Å; L107-E111 VanDerWaalsContact O-CG 3.28Å; L107-E111 WeakPolarHBondContact O-CG 3.31Å; L107-E111 PolarHBondContact O-N 3.48Å; V108-E111 PolarHBondContact O-N 3.43Å; E111-F113 VanDerWaalsContact C-N 3.31Å; E111-F113 PolarHBondContact O-N 3.25Å; E111-F114 PolarHBondContact O-N 3.38Å; E111-F114 VanDerWaalsContact O-N 3.12Å; E111-S115 PolarHBondContact O-N 3.45Å; E111-S115 PolarHBondContact O-OG 3.11Å; E111-K158 IonicContact OE1-NZ 3.13Å; E111-K158 PolarHBondContact OE1-NZ 2.84Å; E111-S163 VanDerWaalsContact OE1-CB 3.28Å; E111-S163 WeakPolarHBondContact OE1-CB 3.43Å; E111-F165 HydrophobicContact CG-CD2 4.11Å; E111-F165 HydrophobicContact CG-CE2 3.63Å
112K91.6Very high88.7Confident63 Ų6335.1 Ų35.127%0.27418%0.182SC..Hα-helixtrans-57.9-38.7175.7-71.3-179.3-173.81670113.6V108 E109 F114 S115 E116 L117V108-K112 WeakPolarHBondContact O-CG 3.29Å; V108-K112 PolarHBondContact O-N 3.5Å; E109-K112 PolarHBondContact O-N 2.8Å; E109-K112 IonicContact OE1-NZ 3.97Å; E109-K112 PolarHBondContact OE1-NZ 3.21Å; K112-F114 PolarHBondContact O-N 2.88Å; K112-S115 PolarHBondContact O-N 2.85Å; K112-E116 PolarHBondContact O-N 2.98Å; K112-E116 VanDerWaalsContact O-N 3.16Å; K112-L117 HydrophobicContact CB-CD1 4.48Å; K112-L117 WeakPolarHBondContact O-CB 2.93Å; K112-L117 PolarHBondContact O-N 3.01Å
113F94.4Very high89.9Confident0 Ų034 Ų340%017%0.174CC..Hα-helixtrans-54.4-40.9176.8177.7-84000111.8T78 W86 L87 E109 L110 E111 N118 R119 F123T78-F113 HydrophobicContact CG2-CB 4.04Å; T78-F113 HydrophobicContact CG2-CD2 4.43Å; W86-F113 HydrophobicContact CD2-CD2 4.24Å; W86-F113 AromaticContact CE3-CD2 3.37Å; W86-F113 HydrophobicContact CE3-CD2 3.37Å; W86-F113 AromaticContact CE3-CE2 3.65Å; W86-F113 HydrophobicContact CE3-CE2 3.65Å; W86-F113 HydrophobicContact CE3-CG 4.04Å; W86-F113 HydrophobicContact CH2-CB 3.86Å; W86-F113 HydrophobicContact CH2-CD2 4.15Å; W86-F113 HydrophobicContact CH2-CG 4.23Å; W86-F113 HydrophobicContact CZ3-CB 3.63Å; W86-F113 HydrophobicContact CZ3-CD1 4.32Å; W86-F113 AromaticContact CZ3-CD2 3.32Å; W86-F113 HydrophobicContact CZ3-CD2 3.32Å; W86-F113 HydrophobicContact CZ3-CE2 4.01Å; W86-F113 AromaticContact CZ3-CG 3.5Å; W86-F113 HydrophobicContact CZ3-CG 3.5Å; L87-F113 HydrophobicContact CD1-CE1 4.44Å; E109-F113 WeakPolarHBondContact O-CB 3.11Å; E109-F113 PolarHBondContact O-N 3.35Å; L110-F113 WeakPolarHBondContact O-CB 3.41Å; L110-F113 PolarHBondContact O-N 2.92Å; E111-F113 VanDerWaalsContact C-N 3.31Å; E111-F113 PolarHBondContact O-N 3.25Å; F113-N118 PolarHBondContact O-N 3.49Å; F113-R119 HydrophobicContact CD1-CB 4.1Å; F113-R119 HydrophobicContact CD2-CB 3.55Å; F113-R119 HydrophobicContact CD2-CG 3.91Å; F113-R119 HydrophobicContact CE1-CB 3.9Å; F113-R119 HydrophobicContact CE2-CB 3.33Å; F113-R119 HydrophobicContact CE2-CG 4.09Å; F113-R119 HydrophobicContact CG-CB 3.94Å; F113-R119 HydrophobicContact CG-CG 4.36Å; F113-R119 HydrophobicContact CZ-CB 3.51Å; F113-R119 PolarHBondContact O-N 3.26Å; F113-F123 HydrophobicContact CZ-CB 4.47Å
114F92.9Very high90.5Very high1 Ų134 Ų340%0.00417%0.173CC..Hα-helixtrans-85.5-47.5178.1-74.3-87.5000112.5L87 L110 E111 K112 V120 L147 V150 Y164 F165 F171 N174 I175L87-F114 HydrophobicContact CD1-CE2 4.1Å; L87-F114 HydrophobicContact CD1-CZ 4.31Å; L87-F114 HydrophobicContact CD2-CZ 4.49Å; L110-F114 HydrophobicContact CD1-CD2 4.44Å; L110-F114 HydrophobicContact CD1-CE2 3.95Å; L110-F114 WeakPolarHBondContact O-CD2 3.49Å; E111-F114 PolarHBondContact O-N 3.38Å; E111-F114 VanDerWaalsContact O-N 3.12Å; K112-F114 PolarHBondContact O-N 2.88Å; F114-V120 HydrophobicContact CD1-CG2 3.76Å; F114-V120 HydrophobicContact CE1-CG2 3.8Å; F114-L147 HydrophobicContact CE1-CD1 3.81Å; F114-L147 HydrophobicContact CZ-CD1 3.86Å; F114-V150 HydrophobicContact CE2-CB 4.44Å; F114-V150 HydrophobicContact CE2-CG1 3.83Å; F114-V150 HydrophobicContact CE2-CG2 4.28Å; F114-V150 HydrophobicContact CZ-CB 4.31Å; F114-V150 HydrophobicContact CZ-CG1 4.19Å; F114-V150 HydrophobicContact CZ-CG2 3.95Å; F114-Y164 HydrophobicContact CB-CD1 4.22Å; F114-Y164 HydrophobicContact CB-CE1 3.46Å; F114-Y164 VanDerWaalsContact CB-CE1 3.46Å; F114-Y164 HydrophobicContact CG-CE1 4.13Å; F114-F165 AromaticContact CD2-CE1 3.68Å; F114-F165 HydrophobicContact CD2-CE1 3.68Å; F114-F165 AromaticContact CD2-CZ 3.59Å; F114-F165 HydrophobicContact CD2-CZ 3.59Å; F114-F165 AromaticContact CE2-CE1 3.95Å; F114-F165 HydrophobicContact CE2-CE1 3.95Å; F114-F165 HydrophobicContact CE2-CZ 4.01Å; F114-F165 HydrophobicContact CG-CE1 4.13Å; F114-F165 HydrophobicContact CG-CZ 4.33Å; F114-F171 HydrophobicContact CD1-CE2 4.24Å; F114-F171 AromaticContact CE1-CE2 3.9Å; F114-F171 HydrophobicContact CE1-CE2 3.9Å; F114-F171 HydrophobicContact CZ-CE2 4.26Å; F114-N174 PolarHBondContact O-ND2 3.29Å; F114-I175 HydrophobicContact CE1-CG1 4.37Å
115S90.1Very high90.9Very high53 Ų5330.5 Ų30.537%0.37116%0.162SC..THydrogen-bonded Turntrans-80.9-66.8-170.559.40000113.5E111 K112E111-S115 PolarHBondContact O-N 3.45Å; E111-S115 PolarHBondContact O-OG 3.11Å; K112-S115 PolarHBondContact O-N 2.85Å
116E89.3Confident91.1Very high145 Ų14529.1 Ų29.168%0.67815%0.154SC*.THydrogen-bonded Turntrans-77.9-43.1-170.3-68.3176.3-168.900111.9K112K112-E116 PolarHBondContact O-N 2.98Å; K112-E116 VanDerWaalsContact O-N 3.16Å
117L90.8Very high91.2Very high55 Ų5529.1 Ų29.129%0.28815%0.154SC..SBendtrans-91.1-18.7-173.2-59.7173.7000113.1T78 E79 K112 R119T78-L117 HydrophobicContact CG2-CD1 3.59Å; E79-L117 HydrophobicContact CB-CD1 4.24Å; E79-L117 HydrophobicContact CB-CD2 4.42Å; E79-L117 HydrophobicContact CG-CD2 4.06Å; K112-L117 HydrophobicContact CB-CD1 4.48Å; K112-L117 WeakPolarHBondContact O-CB 2.93Å; K112-L117 PolarHBondContact O-N 3.01Å; L117-R119 HydrophobicContact CB-CG 3.48Å; L117-R119 VanDerWaalsContact CB-CG 3.48Å; L117-R119 HydrophobicContact CD1-CG 4.41Å; L117-R119 PolarHBondContact O-N 3.3Å
118N91.8Very high91.1Very high57 Ų5729.9 Ų29.931%0.30516%0.158SC..  trans44.254.8-177.9-172.122.3000113.4F113 V120 P121 N174F113-N118 PolarHBondContact O-N 3.49Å; N118-V120 VanDerWaalsContact C-N 3.28Å; N118-V120 PolarHBondContact O-N 2.96Å; N118-P121 WeakPolarHBondContact O-CD 3.33Å; N118-N174 PolarHBondContact OD1-OD1 2.94Å
119R93.5Very high90.9Very high18 Ų1832.4 Ų32.47%0.06817%0.17CC..  trans-84.96.7-170-63.6-86.8-76.3155.7-4114.1T78 E79 S81 S83 F113 L117 D122 F123T78-R119 PolarHBondContact O-NE 2.84Å; T78-R119 PolarHBondContact O-NH2 3.44Å; T78-R119 VanDerWaalsContact O-NH2 3.15Å; E79-R119 VanDerWaalsContact C-CZ 3.46Å; E79-R119 PolarHBondContact O-NE 3.2Å; E79-R119 PolarHBondContact O-NH1 2.67Å; E79-R119 PolarHBondContact O-NH2 3.15Å; S81-R119 PolarHBondContact O-NH2 2.87Å; S83-R119 PolarHBondContact OG-NH1 3.37Å; S83-R119 PolarHBondContact OG-NH2 2.83Å; F113-R119 HydrophobicContact CD1-CB 4.1Å; F113-R119 HydrophobicContact CD2-CB 3.55Å; F113-R119 HydrophobicContact CD2-CG 3.91Å; F113-R119 HydrophobicContact CE1-CB 3.9Å; F113-R119 HydrophobicContact CE2-CB 3.33Å; F113-R119 HydrophobicContact CE2-CG 4.09Å; F113-R119 HydrophobicContact CG-CB 3.94Å; F113-R119 HydrophobicContact CG-CG 4.36Å; F113-R119 HydrophobicContact CZ-CB 3.51Å; F113-R119 PolarHBondContact O-N 3.26Å; L117-R119 HydrophobicContact CB-CG 3.48Å; L117-R119 VanDerWaalsContact CB-CG 3.48Å; L117-R119 HydrophobicContact CD1-CG 4.41Å; L117-R119 PolarHBondContact O-N 3.3Å; R119-D122 WeakPolarHBondContact CD-OD2 3.36Å; R119-D122 IonicContact CZ-OD2 3.12Å; R119-D122 IonicContact NE-OD2 3.62Å; R119-D122 IonicContact NH1-OD2 2.93Å; R119-D122 PolarHBondContact NH1-OD2 3.31Å; R119-D122 WeakPolarHBondContact O-CB 3.31Å; R119-D122 PolarHBondContact O-N 3.34Å; R119-F123 PolarHBondContact O-N 3.06Å
120V93.9Very high90.4Very high0 Ų034.4 Ų34.40%018%0.18CC..Hα-helixtrans-64.7-39.8179-175.30000113F114 N118 D122 F123 I124 L147 A178F114-V120 HydrophobicContact CD1-CG2 3.76Å; F114-V120 HydrophobicContact CE1-CG2 3.8Å; N118-V120 VanDerWaalsContact C-N 3.28Å; N118-V120 PolarHBondContact O-N 2.96Å; V120-D122 VanDerWaalsContact C-N 3.32Å; V120-D122 PolarHBondContact O-N 3.22Å; V120-F123 WeakPolarHBondContact O-CB 3.5Å; V120-F123 PolarHBondContact O-N 3.36Å; V120-I124 HydrophobicContact CG1-CD1 4.27Å; V120-I124 WeakPolarHBondContact O-CG1 3.42Å; V120-I124 PolarHBondContact O-N 3.49Å; V120-L147 HydrophobicContact CG1-CD2 4.22Å; V120-A178 HydrophobicContact CB-CB 3.68Å; V120-A178 HydrophobicContact CG1-CB 3.55Å
121P92.5Very high89.5Confident13 Ų1335.8 Ų35.88%0.08419%0.187CC..Hα-helixtrans-59.6-43.7171.8-2133.5000111.8N118 F123 I124 S125 A178 L181N118-P121 WeakPolarHBondContact O-CD 3.33Å; P121-F123 VanDerWaalsContact C-N 3.29Å; P121-F123 PolarHBondContact O-N 2.69Å; P121-I124 PolarHBondContact O-N 3.29Å; P121-I124 VanDerWaalsContact O-N 3.11Å; P121-S125 PolarHBondContact O-N 3.44Å; P121-S125 PolarHBondContact O-OG 3.01Å; P121-A178 HydrophobicContact CG-CB 3.81Å; P121-L181 HydrophobicContact CB-CB 3.95Å; P121-L181 HydrophobicContact CG-CB 3.79Å; P121-L181 HydrophobicContact CG-CD1 3.64Å; P121-L181 HydrophobicContact CG-CG 4.34Å
122D92Very high88Confident70 Ų7039.1 Ų39.137%0.37422%0.221SC..Hα-helixtrans-62.7-37.6177.2-61-25.3000111.7S83 R119 V120 I124 A126S83-D122 WeakPolarHBondContact OG-CB 3.48Å; R119-D122 WeakPolarHBondContact CD-OD2 3.36Å; R119-D122 IonicContact CZ-OD2 3.12Å; R119-D122 IonicContact NE-OD2 3.62Å; R119-D122 IonicContact NH1-OD2 2.93Å; R119-D122 PolarHBondContact NH1-OD2 3.31Å; R119-D122 WeakPolarHBondContact O-CB 3.31Å; R119-D122 PolarHBondContact O-N 3.34Å; V120-D122 VanDerWaalsContact C-N 3.32Å; V120-D122 PolarHBondContact O-N 3.22Å; D122-I124 VanDerWaalsContact C-N 3.35Å; D122-A126 WeakPolarHBondContact O-CB 3.49Å; D122-A126 PolarHBondContact O-N 3Å
123F93.9Very high86.3Confident0 Ų038.7 Ų38.70%023%0.229CC..Hα-helixtrans-58.9-45.9172.3173.3-82000111.6D84 L87 F113 R119 V120 P121 C127 R143 L146 L147D84-F123 VanDerWaalsContact CA-CD2 3.42Å; D84-F123 HydrophobicContact CB-CD2 3.79Å; D84-F123 HydrophobicContact CB-CE2 3.74Å; D84-F123 HydrophobicContact CB-CG 4.48Å; D84-F123 HydrophobicContact CB-CZ 4.43Å; L87-F123 HydrophobicContact CB-CD2 4.28Å; L87-F123 HydrophobicContact CB-CE2 4.3Å; L87-F123 HydrophobicContact CD2-CD2 3.78Å; L87-F123 HydrophobicContact CD2-CE2 3.63Å; L87-F123 HydrophobicContact CD2-CZ 4.46Å; F113-F123 HydrophobicContact CZ-CB 4.47Å; R119-F123 PolarHBondContact O-N 3.06Å; V120-F123 WeakPolarHBondContact O-CB 3.5Å; V120-F123 PolarHBondContact O-N 3.36Å; P121-F123 VanDerWaalsContact C-N 3.29Å; P121-F123 PolarHBondContact O-N 2.69Å; F123-C127 PolarHBondContact O-N 3.44Å; F123-C127 VanDerWaalsContact O-N 3.09Å; F123-C127 PolarHBondContact O-SG 3.11Å; F123-R143 HydrophobicContact CE1-CB 4.5Å; F123-R143 HydrophobicContact CZ-CB 3.98Å; F123-R143 WeakPolarHBondContact CZ-O 3.17Å; F123-L146 HydrophobicContact CE2-CD2 4.37Å; F123-L147 HydrophobicContact CD1-CD2 4.1Å; F123-L147 HydrophobicContact CE1-CB 4.13Å; F123-L147 HydrophobicContact CE1-CD2 3.98Å; F123-L147 HydrophobicContact CE1-CG 4.5Å; F123-L147 HydrophobicContact CZ-CB 4.1Å
124I91.8Very high84.5Confident0 Ų047 Ų470%027%0.274CS..Hα-helixtrans-65.9-47.4-179.7-65.7164.2000110.3V120 P121 D122 A126 C127 I128 A178 F179 V182 L192 L193 I196V120-I124 HydrophobicContact CG1-CD1 4.27Å; V120-I124 WeakPolarHBondContact O-CG1 3.42Å; V120-I124 PolarHBondContact O-N 3.49Å; P121-I124 PolarHBondContact O-N 3.29Å; P121-I124 VanDerWaalsContact O-N 3.11Å; D122-I124 VanDerWaalsContact C-N 3.35Å; I124-A126 PolarHBondContact O-N 3.05Å; I124-C127 WeakPolarHBondContact O-CB 3.31Å; I124-C127 PolarHBondContact O-N 3.12Å; I124-I128 HydrophobicContact CG2-CD1 3.75Å; I124-I128 WeakPolarHBondContact O-CD1 3.26Å; I124-I128 WeakPolarHBondContact O-CG1 3.48Å; I124-I128 PolarHBondContact O-N 2.9Å; I124-I128 VanDerWaalsContact O-N 3.11Å; I124-A178 HydrophobicContact CD1-CB 4.39Å; I124-F179 HydrophobicContact CD1-CD1 3.9Å; I124-F179 HydrophobicContact CD1-CE1 4.17Å; I124-V182 HydrophobicContact CB-CG2 4Å; I124-V182 HydrophobicContact CD1-CG2 3.91Å; I124-V182 HydrophobicContact CG2-CG1 4.05Å; I124-V182 HydrophobicContact CG2-CG2 3.63Å; I124-L192 HydrophobicContact CG2-CD2 4.11Å; I124-L193 HydrophobicContact CD1-CD2 3.95Å; I124-L193 HydrophobicContact CG2-CD2 4.25Å; I124-I196 HydrophobicContact CG1-CD1 4.34Å
125S89.8Confident83.1Confident39 Ų3950.2 Ų50.227%0.27330%0.296SS..Hα-helixtrans-60.3-45.7177.9-59.50000111.7P121 C127 I128 D129P121-S125 PolarHBondContact O-N 3.44Å; P121-S125 PolarHBondContact O-OG 3.01Å; S125-C127 VanDerWaalsContact C-N 3.29Å; S125-C127 PolarHBondContact O-N 3.4Å; S125-I128 PolarHBondContact O-N 2.98Å; S125-D129 PolarHBondContact O-N 3.35Å
126A89.1Confident82.5Confident0 Ų049.7 Ų49.70%029%0.291CS..Hα-helixtrans-61.1-35.8177.800000113.1Y27 K82 D84 D122 I124Y27-A126 HydrophobicContact CE1-CB 3.98Å; K82-A126 HydrophobicContact CG-CB 3.85Å; D84-A126 HydrophobicContact CB-CB 4.43Å; D122-A126 WeakPolarHBondContact O-CB 3.49Å; D122-A126 PolarHBondContact O-N 3Å; I124-A126 PolarHBondContact O-N 3.05Å
127C89.9Confident82.3Confident0 Ų047.4 Ų47.40%028%0.281CS..Hα-helixtrans-69.1-33.2174.3-710000112.6D84 F123 I124 S125 I131 F139 L192D84-C127 VanDerWaalsContact CB-SG 3.58Å; F123-C127 PolarHBondContact O-N 3.44Å; F123-C127 VanDerWaalsContact O-N 3.09Å; F123-C127 PolarHBondContact O-SG 3.11Å; I124-C127 WeakPolarHBondContact O-CB 3.31Å; I124-C127 PolarHBondContact O-N 3.12Å; S125-C127 VanDerWaalsContact C-N 3.29Å; S125-C127 PolarHBondContact O-N 3.4Å; C127-I131 WeakPolarHBondContact O-CG1 3.31Å; C127-F139 HydrophobicContact CB-CE1 4.37Å; C127-L192 HydrophobicContact CB-CD2 3.55Å
128I86.7Confident82Confident20 Ų2052 Ų5210%0.10330%0.299CS..Hα-helixtrans-74.9-40.4-179.7-68161.3000110.7I124 S125 E130 I131 V182 T189 L192I124-I128 HydrophobicContact CG2-CD1 3.75Å; I124-I128 WeakPolarHBondContact O-CD1 3.26Å; I124-I128 WeakPolarHBondContact O-CG1 3.48Å; I124-I128 PolarHBondContact O-N 2.9Å; I124-I128 VanDerWaalsContact O-N 3.11Å; S125-I128 PolarHBondContact O-N 2.98Å; I128-E130 PolarHBondContact O-N 2.98Å; I128-I131 WeakPolarHBondContact O-CB 3.25Å; I128-I131 WeakPolarHBondContact O-CG1 3.48Å; I128-I131 PolarHBondContact O-N 3.33Å; I128-V182 HydrophobicContact CD1-CG1 4.22Å; I128-T189 HydrophobicContact CD1-CG2 3.85Å; I128-T189 WeakPolarHBondContact CD1-OG1 3.45Å; I128-L192 HydrophobicContact CG1-CD2 4.39Å
129D83.5Confident81.9Confident97 Ų9751.3 Ų51.352%0.51929%0.293SS..Hα-helixtrans-60.6-26.2178.5-73.3-14.3000113Y27 S125Y27-D129 PolarHBondContact OH-OD2 2.83Å; S125-D129 PolarHBondContact O-N 3.35Å
130E79.2Confident81.8Confident52 Ų5250.4 Ų50.424%0.24329%0.29CS..THydrogen-bonded Turntrans-83.1-8.9-177-166.4167.8168.500114.5K82 I128 A132 F139K82-E130 IonicContact NZ-OE2 3.02Å; K82-E130 PolarHBondContact NZ-OE2 2.66Å; I128-E130 PolarHBondContact O-N 2.98Å; E130-A132 PolarHBondContact O-N 3.29Å; E130-F139 HydrophobicContact CB-CE1 4.11Å; E130-F139 HydrophobicContact CB-CZ 4.05Å; E130-F139 HydrophobicContact CG-CE1 4.38Å; E130-F139 HydrophobicContact CG-CE2 4.41Å; E130-F139 HydrophobicContact CG-CZ 4.03Å; E130-F139 WeakPolarHBondContact OE1-CE2 3.4Å; E130-F139 WeakPolarHBondContact OE2-CZ 3.3Å
131I71.4Confident81.7Confident29 Ų2953.4 Ų53.415%0.14930%0.304CS..  trans-65.8-1.6-168.7-68177.2000114.7C127 I128 A133 P136 L140 N188C127-I131 WeakPolarHBondContact O-CG1 3.31Å; I128-I131 WeakPolarHBondContact O-CB 3.25Å; I128-I131 WeakPolarHBondContact O-CG1 3.48Å; I128-I131 PolarHBondContact O-N 3.33Å; I131-A133 PolarHBondContact O-N 2.91Å; I131-P136 HydrophobicContact CG2-CB 3.94Å; I131-L140 HydrophobicContact CD1-CD1 4.1Å; I131-L140 HydrophobicContact CD1-CD2 3.98Å; I131-L140 HydrophobicContact CD1-CG 4.47Å; I131-L140 HydrophobicContact CG1-CD2 4.32Å; I131-N188 HydrophobicContact CD1-CB 3.53Å; I131-N188 WeakPolarHBondContact CG2-ND2 3.41Å
132A59.9Low81.6Confident109 Ų10954.6 Ų54.690%0.90131%0.312SS*.  trans-67.318172.700000115.5E130E130-A132 PolarHBondContact O-N 3.29Å
133A55Low81.7Confident54 Ų5451.9 Ų51.945%0.44630%0.297SS..SBendtrans-114158-174.400000114.6I131 S135I131-A133 PolarHBondContact O-N 2.91Å; A133-S135 PolarHBondContact O-N 2.8Å
134D57.4Low81.7Confident176 Ų17651.9 Ų51.994%0.94130%0.297SS*.SBendtrans-63.32.5-167.7-79.2-32.4000117.8
135S64.5Low81.8Confident67 Ų6757.9 Ų57.947%0.46932%0.319SS..  trans-159.774.2173.355.60000113.1A133 Q137 F138A133-S135 PolarHBondContact O-N 2.8Å; S135-Q137 PolarHBondContact O-N 3.01Å; S135-Q137 VanDerWaalsContact O-N 3.08Å; S135-F138 PolarHBondContact O-N 3.31Å
136P77.7Confident82.1Confident43 Ų4356.6 Ų56.628%0.27931%0.309SS..Hα-helixtrans-63.4-26-17126.2-35.5000113.3I131 L140I131-P136 HydrophobicContact CG2-CB 3.94Å; P136-L140 WeakPolarHBondContact O-CB 3.34Å; P136-L140 WeakPolarHBondContact O-CG 3.31Å; P136-L140 PolarHBondContact O-N 3.5Å
137Q83.1Confident82.4Confident97 Ų9756.6 Ų56.645%0.45331%0.309SS..Hα-helixtrans-65.5-49.9-177.7-176.4164.6-4.800113.8S135 F139 L140 E141S135-Q137 PolarHBondContact O-N 3.01Å; S135-Q137 VanDerWaalsContact O-N 3.08Å; Q137-F139 VanDerWaalsContact C-N 3.31Å; Q137-F139 PolarHBondContact O-N 3.5Å; Q137-L140 PolarHBondContact O-N 2.91Å; Q137-E141 WeakPolarHBondContact O-CB 3.48Å; Q137-E141 PolarHBondContact O-N 3.05Å
138F86.3Confident82.6Confident152 Ų15256.6 Ų56.667%0.66731%0.309SS*.Hα-helixtrans-66.6-38.4-176.9-71.4-71.4000111.2S135 S142S135-F138 PolarHBondContact O-N 3.31Å; F138-S142 WeakPolarHBondContact O-CB 3.28Å; F138-S142 PolarHBondContact O-N 3.29Å
139F90Very high82.9Confident41 Ų4157.7 Ų57.718%0.1832%0.315CS..Hα-helixtrans-59.7-54.5174.4175.3-101000111.4C127 E130 Q137 E141 S142 R143C127-F139 HydrophobicContact CB-CE1 4.37Å; E130-F139 HydrophobicContact CB-CE1 4.11Å; E130-F139 HydrophobicContact CB-CZ 4.05Å; E130-F139 HydrophobicContact CG-CE1 4.38Å; E130-F139 HydrophobicContact CG-CE2 4.41Å; E130-F139 HydrophobicContact CG-CZ 4.03Å; E130-F139 WeakPolarHBondContact OE1-CE2 3.4Å; E130-F139 WeakPolarHBondContact OE2-CZ 3.3Å; Q137-F139 VanDerWaalsContact C-N 3.31Å; Q137-F139 PolarHBondContact O-N 3.5Å; F139-E141 VanDerWaalsContact C-N 3.33Å; F139-E141 PolarHBondContact O-N 3.23Å; F139-S142 WeakPolarHBondContact O-CB 3.24Å; F139-S142 PolarHBondContact O-N 3.24Å; F139-S142 VanDerWaalsContact O-N 3.14Å; F139-R143 HydrophobicContact CD1-CG 4.48Å; F139-R143 HydrophobicContact CD2-CG 4.45Å; F139-R143 HydrophobicContact CE1-CG 4.06Å; F139-R143 HydrophobicContact CE2-CG 4.04Å; F139-R143 HydrophobicContact CZ-CG 3.82Å; F139-R143 WeakPolarHBondContact O-CG 3.38Å; F139-R143 PolarHBondContact O-N 3Å
140L90.4Very high83.4Confident0 Ų053 Ų530%029%0.29CS..Hα-helixtrans-62.2-38.4-179.5-65.6175.6000112.6I131 P136 Q137 R143 A144 R191 L192 L195I131-L140 HydrophobicContact CD1-CD1 4.1Å; I131-L140 HydrophobicContact CD1-CD2 3.98Å; I131-L140 HydrophobicContact CD1-CG 4.47Å; I131-L140 HydrophobicContact CG1-CD2 4.32Å; P136-L140 WeakPolarHBondContact O-CB 3.34Å; P136-L140 WeakPolarHBondContact O-CG 3.31Å; P136-L140 PolarHBondContact O-N 3.5Å; Q137-L140 PolarHBondContact O-N 2.91Å; L140-R143 PolarHBondContact O-N 2.65Å; L140-A144 VanDerWaalsContact O-CB 3.3Å; L140-A144 WeakPolarHBondContact O-CB 3.39Å; L140-A144 PolarHBondContact O-N 2.93Å; L140-R191 HydrophobicContact CD1-CG 4.46Å; L140-L192 HydrophobicContact CB-CD1 4.29Å; L140-L192 HydrophobicContact CD2-CB 4.15Å; L140-L192 HydrophobicContact CD2-CD1 3.99Å; L140-L192 HydrophobicContact CD2-CD2 4.15Å; L140-L192 HydrophobicContact CD2-CG 4.31Å; L140-L195 HydrophobicContact CB-CD1 3.9Å
141E91Very high83.9Confident63 Ų6351.1 Ų51.129%0.29428%0.282SS..Hα-helixtrans-65.1-41.1175.8-168.1175.1171.500111.4Q137 F139 R143 A144 R145 L195 H199Q137-E141 WeakPolarHBondContact O-CB 3.48Å; Q137-E141 PolarHBondContact O-N 3.05Å; F139-E141 VanDerWaalsContact C-N 3.33Å; F139-E141 PolarHBondContact O-N 3.23Å; E141-R143 PolarHBondContact O-N 2.61Å; E141-A144 PolarHBondContact O-N 3.17Å; E141-R145 VanDerWaalsContact O-CB 3.26Å; E141-R145 WeakPolarHBondContact O-CB 3.48Å; E141-R145 PolarHBondContact O-N 3.43Å; E141-L195 HydrophobicContact CB-CD1 4.45Å; E141-H199 WeakPolarHBondContact CG-NE2 3.39Å
142S91.7Very high84.7Confident37 Ų3754 Ų5426%0.25930%0.295SS..Hα-helixtrans-61.2-44.9175.4-166.90000111.7F138 F139 R145 L146F138-S142 WeakPolarHBondContact O-CB 3.28Å; F138-S142 PolarHBondContact O-N 3.29Å; F139-S142 WeakPolarHBondContact O-CB 3.24Å; F139-S142 PolarHBondContact O-N 3.24Å; F139-S142 VanDerWaalsContact O-N 3.14Å; S142-R145 PolarHBondContact O-N 3.23Å; S142-L146 WeakPolarHBondContact O-CB 3.49Å; S142-L146 PolarHBondContact O-N 2.96Å
143R93.6Very high85.9Confident14 Ų1451.6 Ų51.65%0.05326%0.263CS..Hα-helixtrans-67.1-43.7178.7-67.6-66.5-176.7-105.17112.5D84 E88 F123 F139 L140 E141 R145 L146 L147D84-R143 IonicContact OD2-CZ 3.02Å; D84-R143 IonicContact OD2-NE 2.73Å; D84-R143 PolarHBondContact OD2-NE 3.42Å; D84-R143 IonicContact OD2-NH2 2.75Å; D84-R143 PolarHBondContact OD2-NH2 2.77Å; E88-R143 IonicContact OE1-NH1 3.22Å; E88-R143 PolarHBondContact OE1-NH1 3.27Å; E88-R143 VanDerWaalsContact OE1-NH1 3.12Å; E88-R143 IonicContact OE2-CZ 3.67Å; E88-R143 IonicContact OE2-NH1 3.39Å; E88-R143 PolarHBondContact OE2-NH1 2.58Å; E88-R143 IonicContact OE2-NH2 3.8Å; E88-R143 PolarHBondContact OE2-NH2 3.12Å; F123-R143 HydrophobicContact CE1-CB 4.5Å; F123-R143 HydrophobicContact CZ-CB 3.98Å; F123-R143 WeakPolarHBondContact CZ-O 3.17Å; F139-R143 HydrophobicContact CD1-CG 4.48Å; F139-R143 HydrophobicContact CD2-CG 4.45Å; F139-R143 HydrophobicContact CE1-CG 4.06Å; F139-R143 HydrophobicContact CE2-CG 4.04Å; F139-R143 HydrophobicContact CZ-CG 3.82Å; F139-R143 WeakPolarHBondContact O-CG 3.38Å; F139-R143 PolarHBondContact O-N 3Å; L140-R143 PolarHBondContact O-N 2.65Å; E141-R143 PolarHBondContact O-N 2.61Å; R143-R145 VanDerWaalsContact C-N 3.33Å; R143-R145 PolarHBondContact O-N 3.19Å; R143-L146 WeakPolarHBondContact O-CB 3.31Å; R143-L146 PolarHBondContact O-N 3.35Å; R143-L147 PolarHBondContact O-N 3.31Å
144A94Very high87.4Confident0 Ų049.1 Ų49.10%024%0.242CC..Hα-helixtrans-61-42.6174.700000112.1L140 E141 A148 L192 L195 I196L140-A144 VanDerWaalsContact O-CB 3.3Å; L140-A144 WeakPolarHBondContact O-CB 3.39Å; L140-A144 PolarHBondContact O-N 2.93Å; E141-A144 PolarHBondContact O-N 3.17Å; A144-A148 WeakPolarHBondContact O-CB 3.26Å; A144-A148 PolarHBondContact O-N 3.02Å; A144-A148 VanDerWaalsContact O-N 3.08Å; A144-L192 HydrophobicContact CB-CD1 4.39Å; A144-L195 HydrophobicContact CB-CB 3.73Å; A144-I196 HydrophobicContact CB-CG1 3.83Å
145R94.8Very high88.6Confident126 Ų12643.7 Ų43.748%0.47522%0.222SC..Hα-helixtrans-64.7-41.5175.5-179.1178.562.2-171.8-3.5112.3E141 S142 R143 N149E141-R145 VanDerWaalsContact O-CB 3.26Å; E141-R145 WeakPolarHBondContact O-CB 3.48Å; E141-R145 PolarHBondContact O-N 3.43Å; S142-R145 PolarHBondContact O-N 3.23Å; R143-R145 VanDerWaalsContact C-N 3.33Å; R143-R145 PolarHBondContact O-N 3.19Å; R145-N149 WeakPolarHBondContact CG-ND2 3.35Å; R145-N149 VanDerWaalsContact O-CB 3.29Å; R145-N149 WeakPolarHBondContact O-CB 3.48Å; R145-N149 PolarHBondContact O-N 3.49Å; R145-N149 VanDerWaalsContact O-N 3.09Å; R145-N149 PolarHBondContact O-ND2 3.44Å
146L95.4Very high89.3Confident12 Ų1247.1 Ų47.16%0.06324%0.235CC..Hα-helixtrans-57-53.7176.3173.667.6000110.3L87 E88 C91 F123 S142 R143 A148 N149 V150 Y153L87-L146 HydrophobicContact CB-CD2 4.39Å; L87-L146 HydrophobicContact CD2-CD2 4.41Å; L87-L146 HydrophobicContact CD2-CG 4.3Å; L87-L146 HydrophobicContact CG-CD2 4.27Å; L87-L146 HydrophobicContact CG-CG 4.29Å; E88-L146 HydrophobicContact CB-CD2 3.73Å; C91-L146 HydrophobicContact CB-CD1 3.63Å; F123-L146 HydrophobicContact CE2-CD2 4.37Å; S142-L146 WeakPolarHBondContact O-CB 3.49Å; S142-L146 PolarHBondContact O-N 2.96Å; R143-L146 WeakPolarHBondContact O-CB 3.31Å; R143-L146 PolarHBondContact O-N 3.35Å; L146-A148 PolarHBondContact O-N 3.08Å; L146-N149 PolarHBondContact O-N 3.45Å; L146-V150 WeakPolarHBondContact O-CG2 3.43Å; L146-V150 PolarHBondContact O-N 2.98Å; L146-Y153 HydrophobicContact CD1-CE2 4.43Å
147L95.7Very high89.3Confident0 Ų046.7 Ų46.70%023%0.232CC..Hα-helixtrans-60.3-45.1-178.9-175.663.4000112.3L87 F114 V120 F123 R143 N149 V150 I175 I196L87-L147 HydrophobicContact CD2-CD1 3.88Å; F114-L147 HydrophobicContact CE1-CD1 3.81Å; F114-L147 HydrophobicContact CZ-CD1 3.86Å; V120-L147 HydrophobicContact CG1-CD2 4.22Å; F123-L147 HydrophobicContact CD1-CD2 4.1Å; F123-L147 HydrophobicContact CE1-CB 4.13Å; F123-L147 HydrophobicContact CE1-CD2 3.98Å; F123-L147 HydrophobicContact CE1-CG 4.5Å; F123-L147 HydrophobicContact CZ-CB 4.1Å; R143-L147 PolarHBondContact O-N 3.31Å; L147-N149 VanDerWaalsContact C-N 3.3Å; L147-N149 PolarHBondContact O-N 3.21Å; L147-V150 WeakPolarHBondContact O-CG2 3.46Å; L147-I175 HydrophobicContact CD1-CD1 4.33Å; L147-I175 HydrophobicContact CD1-CG1 4.49Å; L147-I175 HydrophobicContact CD2-CG2 3.99Å; L147-I175 HydrophobicContact CG-CD1 4.06Å; L147-I175 HydrophobicContact CG-CG1 4.46Å; L147-I196 HydrophobicContact CD2-CD1 3.98Å; L147-I196 HydrophobicContact CD2-CG1 4.29Å; L147-I196 HydrophobicContact CD2-CG2 4.18Å
148A94.4Very high88.8Confident0 Ų044.3 Ų44.30%022%0.219CC..Hα-helixtrans-67.7-28-179.400000113.7A144 L146 H199 L200A144-A148 WeakPolarHBondContact O-CB 3.26Å; A144-A148 PolarHBondContact O-N 3.02Å; A144-A148 VanDerWaalsContact O-N 3.08Å; L146-A148 PolarHBondContact O-N 3.08Å; A148-H199 HydrophobicContact CB-CB 3.66Å; A148-L200 HydrophobicContact CB-CD2 3.96Å; A148-L200 HydrophobicContact CB-CG 4.25Å
149N93.2Very high87.7Confident42 Ų4248.4 Ų48.423%0.22523%0.231CC..Hα-helixtrans-95.41-175.3-74.7-26.4000114.6R145 L146 L147 P151 H152 Y153R145-N149 WeakPolarHBondContact CG-ND2 3.35Å; R145-N149 VanDerWaalsContact O-CB 3.29Å; R145-N149 WeakPolarHBondContact O-CB 3.48Å; R145-N149 PolarHBondContact O-N 3.49Å; R145-N149 VanDerWaalsContact O-N 3.09Å; R145-N149 PolarHBondContact O-ND2 3.44Å; L146-N149 PolarHBondContact O-N 3.45Å; L147-N149 VanDerWaalsContact C-N 3.3Å; L147-N149 PolarHBondContact O-N 3.21Å; N149-P151 VanDerWaalsContact C-CD 3.45Å; N149-P151 VanDerWaalsContact C-N 3.3Å; N149-H152 WeakPolarHBondContact O-CA 3.24Å; N149-H152 VanDerWaalsContact O-CB 3.32Å; N149-H152 WeakPolarHBondContact O-CB 3.03Å; N149-H152 PolarHBondContact O-N 3.24Å; N149-Y153 HydrophobicContact CB-CD2 4.39Å; N149-Y153 HydrophobicContact CB-CE2 3.9Å; N149-Y153 WeakPolarHBondContact O-CD2 3.35Å; N149-Y153 PolarHBondContact O-N 3.13Å
150V92.4Very high86.3Confident0 Ų055.1 Ų55.10%026%0.263CS..Hα-helixtrans-46.6-47.1176.41780000112.9L87 L110 F114 L146 L147 H152 Y153 V154 F165 F171L87-V150 HydrophobicContact CD1-CG2 3.97Å; L87-V150 HydrophobicContact CD2-CG2 4.16Å; L87-V150 HydrophobicContact CG-CG2 4.37Å; L110-V150 HydrophobicContact CD1-CG1 4.19Å; L110-V150 HydrophobicContact CD2-CG1 3.95Å; L110-V150 HydrophobicContact CG-CG1 4.28Å; F114-V150 HydrophobicContact CE2-CB 4.44Å; F114-V150 HydrophobicContact CE2-CG1 3.83Å; F114-V150 HydrophobicContact CE2-CG2 4.28Å; F114-V150 HydrophobicContact CZ-CB 4.31Å; F114-V150 HydrophobicContact CZ-CG1 4.19Å; F114-V150 HydrophobicContact CZ-CG2 3.95Å; L146-V150 WeakPolarHBondContact O-CG2 3.43Å; L146-V150 PolarHBondContact O-N 2.98Å; L147-V150 WeakPolarHBondContact O-CG2 3.46Å; V150-H152 PolarHBondContact O-N 3.06Å; V150-Y153 PolarHBondContact O-N 3.14Å; V150-Y153 VanDerWaalsContact O-N 3.14Å; V150-V154 HydrophobicContact CG1-CG2 4.44Å; V150-V154 WeakPolarHBondContact O-CG2 3.41Å; V150-V154 PolarHBondContact O-N 3.22Å; V150-V154 VanDerWaalsContact O-N 3.12Å; V150-F165 HydrophobicContact CB-CE1 4.49Å; V150-F165 HydrophobicContact CG1-CD1 4.2Å; V150-F165 HydrophobicContact CG1-CE1 3.56Å; V150-F165 HydrophobicContact CG1-CZ 3.79Å; V150-F171 HydrophobicContact CB-CE2 4.46Å; V150-F171 HydrophobicContact CB-CZ 4.37Å
151P90.1Very high84.7Confident11 Ų1160.7 Ų60.77%0.07129%0.292CS..Hα-helixtrans-60.9-30.3178.4-25.236.5000113.8N149 V154 A155 F165 F171 Y205N149-P151 VanDerWaalsContact C-CD 3.45Å; N149-P151 VanDerWaalsContact C-N 3.3Å; P151-V154 PolarHBondContact O-N 3.11Å; P151-A155 VanDerWaalsContact O-CB 3.29Å; P151-A155 WeakPolarHBondContact O-CB 3.35Å; P151-A155 PolarHBondContact O-N 3.49Å; P151-F165 HydrophobicContact CB-CB 4.21Å; P151-F165 HydrophobicContact CG-CB 4.48Å; P151-F165 HydrophobicContact CG-CD1 4.15Å; P151-F171 VanDerWaalsContact CD-CZ 3.41Å; P151-F171 HydrophobicContact CG-CD1 3.72Å; P151-F171 HydrophobicContact CG-CD2 4.18Å; P151-F171 HydrophobicContact CG-CE1 3.42Å; P151-F171 VanDerWaalsContact CG-CE1 3.42Å; P151-F171 HydrophobicContact CG-CE2 3.92Å; P151-F171 HydrophobicContact CG-CG 4.08Å; P151-F171 HydrophobicContact CG-CZ 3.52Å; P151-Y205 WeakPolarHBondContact CG-OH 3.39Å
152H87.6Confident83Confident89 Ų8963 Ų6341%0.41231%0.313SS..Hα-helixtrans-70.5-40.7177.2-6688.9000111.6N149 V150 V154 A155 N156N149-H152 WeakPolarHBondContact O-CA 3.24Å; N149-H152 VanDerWaalsContact O-CB 3.32Å; N149-H152 WeakPolarHBondContact O-CB 3.03Å; N149-H152 PolarHBondContact O-N 3.24Å; V150-H152 PolarHBondContact O-N 3.06Å; H152-V154 VanDerWaalsContact C-N 3.3Å; H152-V154 PolarHBondContact O-N 3.25Å; H152-A155 PolarHBondContact O-N 2.84Å; H152-N156 VanDerWaalsContact O-CG 3.27Å; H152-N156 PolarHBondContact O-N 3.07Å; H152-N156 VanDerWaalsContact O-N 3.11Å; H152-N156 PolarHBondContact O-ND2 2.98Å
153Y86.6Confident81.9Confident60 Ų6061.9 Ų61.924%0.23531%0.305CS..Hα-helixtrans-62.3-40.4174.3-65.3-74.6000111.3C91 L146 N149 V150C91-Y153 HydrophobicContact CB-CD1 4.35Å; C91-Y153 HydrophobicContact CB-CD2 3.95Å; C91-Y153 HydrophobicContact CB-CE1 4.42Å; C91-Y153 HydrophobicContact CB-CE2 4.02Å; C91-Y153 HydrophobicContact CB-CG 4.12Å; L146-Y153 HydrophobicContact CD1-CE2 4.43Å; N149-Y153 HydrophobicContact CB-CD2 4.39Å; N149-Y153 HydrophobicContact CB-CE2 3.9Å; N149-Y153 WeakPolarHBondContact O-CD2 3.35Å; N149-Y153 PolarHBondContact O-N 3.13Å; V150-Y153 PolarHBondContact O-N 3.14Å; V150-Y153 VanDerWaalsContact O-N 3.14Å
154V85.6Confident81.3Confident2 Ų262.9 Ų62.91%0.01231%0.309CS..Hα-helixtrans-67.6-44.8177.9175.70000111.8L107 L110 V150 P151 H152 N156 V157 K158 F165L107-V154 HydrophobicContact CD2-CB 4.19Å; L107-V154 HydrophobicContact CD2-CG1 3.89Å; L107-V154 HydrophobicContact CD2-CG2 3.77Å; L110-V154 HydrophobicContact CD2-CG2 3.71Å; V150-V154 HydrophobicContact CG1-CG2 4.44Å; V150-V154 WeakPolarHBondContact O-CG2 3.41Å; V150-V154 PolarHBondContact O-N 3.22Å; V150-V154 VanDerWaalsContact O-N 3.12Å; P151-V154 PolarHBondContact O-N 3.11Å; H152-V154 VanDerWaalsContact C-N 3.3Å; H152-V154 PolarHBondContact O-N 3.25Å; V154-N156 VanDerWaalsContact C-N 3.27Å; V154-N156 PolarHBondContact O-N 3.15Å; V154-V157 PolarHBondContact O-N 3.12Å; V154-K158 PolarHBondContact O-N 2.84Å; V154-F165 HydrophobicContact CB-CD2 4.18Å; V154-F165 HydrophobicContact CG1-CD2 3.96Å; V154-F165 HydrophobicContact CG2-CD2 3.69Å; V154-F165 HydrophobicContact CG2-CE2 3.83Å; V154-F165 HydrophobicContact CG2-CG 4.25Å
155A82.5Confident80.8Confident62 Ų6263.4 Ų63.451%0.51231%0.311SS..Hα-helixtrans-62.8-31.817900000112.9P151 H152 V157 K158P151-A155 VanDerWaalsContact O-CB 3.29Å; P151-A155 WeakPolarHBondContact O-CB 3.35Å; P151-A155 PolarHBondContact O-N 3.49Å; H152-A155 PolarHBondContact O-N 2.84Å; A155-V157 PolarHBondContact O-N 2.73Å; A155-K158 VanDerWaalsContact O-O 3.12Å
156N79.6Confident80.1Confident138 Ų13861.6 Ų61.674%0.73831%0.314SS*.Hα-helixtrans-65.8-24.3175.2-73.1-18000113H152 V154H152-N156 VanDerWaalsContact O-CG 3.27Å; H152-N156 PolarHBondContact O-N 3.07Å; H152-N156 VanDerWaalsContact O-N 3.11Å; H152-N156 PolarHBondContact O-ND2 2.98Å; V154-N156 VanDerWaalsContact C-N 3.27Å; V154-N156 PolarHBondContact O-N 3.15Å
157V78.2Confident79.7Confident35 Ų3565.1 Ų65.121%0.21233%0.333CS..Hα-helixtrans-99-43.7-176.9179.80000112L94 A103 L107 V154 A155L94-V157 HydrophobicContact CB-CG2 4.36Å; L94-V157 HydrophobicContact CD2-CG2 4.19Å; A103-V157 HydrophobicContact CB-CG1 3.58Å; L107-V157 HydrophobicContact CD1-CB 4.47Å; L107-V157 HydrophobicContact CD1-CG1 3.95Å; V154-V157 PolarHBondContact O-N 3.12Å; A155-V157 PolarHBondContact O-N 2.73Å
158K71.4Confident79.5Confident46 Ų4670.3 Ų70.320%0.236%0.356CS..  trans-97.2115.6177.1-84.3-178.2175.9175.40110.3L107 E111 V154 A155L107-K158 HydrophobicContact CD1-CD 4.04Å; L107-K158 HydrophobicContact CD1-CG 3.83Å; E111-K158 IonicContact OE1-NZ 3.13Å; E111-K158 PolarHBondContact OE1-NZ 2.84Å; V154-K158 PolarHBondContact O-N 2.84Å; A155-K158 VanDerWaalsContact O-O 3.12Å
159R64.4Low79.3Confident239 Ų23972.1 Ų72.190%0.90237%0.368SS*.SBendtrans-78-31.6176.6-71.7-174.2-177.7174.71.6114.8
160E60.8Low79.2Confident182 Ų18274.4 Ų74.485%0.8538%0.377SS*.SBendtrans-144.7-11.2-164.6-68.2-179.9177.200117.7
161N56.4Low79.3Confident116 Ų11674.4 Ų74.462%0.6238%0.377SS*.  trans-86.4139.1-176.5-79.2-15.6000113S163N161-S163 PolarHBondContact O-N 3.27Å; N161-S163 VanDerWaalsContact O-N 3.11Å
162P55.4Low79.5Confident113 Ų11373.9 Ų73.973%0.73437%0.374SS*.  trans-60.9117.8169.625.9-31.5000108.8
163S67.7Low79.8Confident13 Ų1373.5 Ų73.59%0.09137%0.371CS..  trans-110.5162.117163.10000109.1E111 N161 F165 T166E111-S163 VanDerWaalsContact OE1-CB 3.28Å; E111-S163 WeakPolarHBondContact OE1-CB 3.43Å; N161-S163 PolarHBondContact O-N 3.27Å; N161-S163 VanDerWaalsContact O-N 3.11Å; S163-F165 PolarHBondContact O-N 2.78Å; S163-F165 PolarHBondContact OG-N 3.26Å; S163-T166 WeakPolarHBondContact O-CB 3.48Å; S163-T166 PolarHBondContact O-N 2.79Å; S163-T166 PolarHBondContact O-OG1 2.9Å
164Y80.6Confident80.1Confident35 Ų3571.5 Ų71.514%0.13736%0.364CS..G310 helixtrans-43.5-35.3167171.4-89.4000112.9F114 T166 H170 F171 N174F114-Y164 HydrophobicContact CB-CD1 4.22Å; F114-Y164 HydrophobicContact CB-CE1 3.46Å; F114-Y164 VanDerWaalsContact CB-CE1 3.46Å; F114-Y164 HydrophobicContact CG-CE1 4.13Å; Y164-T166 VanDerWaalsContact C-N 3.34Å; Y164-T166 PolarHBondContact O-N 3.21Å; Y164-H170 AromaticContact CD2-CD2 4Å; Y164-H170 AromaticContact CE2-CD2 3.27Å; Y164-H170 WeakPolarHBondContact CE2-CD2 3.34Å; Y164-H170 AromaticContact CE2-NE2 3.32Å; Y164-H170 VanDerWaalsContact CE2-NE2 3.32Å; Y164-H170 WeakPolarHBondContact CE2-NE2 3.49Å; Y164-H170 AromaticContact CZ-CD2 3.66Å; Y164-H170 AromaticContact CZ-NE2 3.94Å; Y164-F171 HydrophobicContact CE1-CD2 4.29Å; Y164-N174 WeakPolarHBondContact OH-CB 3.32Å; Y164-N174 PolarHBondContact OH-ND2 3.02Å
165F83.5Confident80.5Confident11 Ų1171.4 Ų71.45%0.04836%0.364CS..G310 helixtrans-80.4-5.6-178.2-57.7-75.4000115.3L110 E111 F114 V150 P151 V154 S163 F171L110-F165 HydrophobicContact CD2-CE2 4.36Å; L110-F165 HydrophobicContact CD2-CZ 4.36Å; L110-F165 HydrophobicContact CG-CE2 4.19Å; L110-F165 HydrophobicContact CG-CZ 3.94Å; E111-F165 HydrophobicContact CG-CD2 4.11Å; E111-F165 HydrophobicContact CG-CE2 3.63Å; F114-F165 AromaticContact CD2-CE1 3.68Å; F114-F165 HydrophobicContact CD2-CE1 3.68Å; F114-F165 AromaticContact CD2-CZ 3.59Å; F114-F165 HydrophobicContact CD2-CZ 3.59Å; F114-F165 AromaticContact CE2-CE1 3.95Å; F114-F165 HydrophobicContact CE2-CE1 3.95Å; F114-F165 HydrophobicContact CE2-CZ 4.01Å; F114-F165 HydrophobicContact CG-CE1 4.13Å; F114-F165 HydrophobicContact CG-CZ 4.33Å; V150-F165 HydrophobicContact CB-CE1 4.49Å; V150-F165 HydrophobicContact CG1-CD1 4.2Å; V150-F165 HydrophobicContact CG1-CE1 3.56Å; V150-F165 HydrophobicContact CG1-CZ 3.79Å; P151-F165 HydrophobicContact CB-CB 4.21Å; P151-F165 HydrophobicContact CG-CB 4.48Å; P151-F165 HydrophobicContact CG-CD1 4.15Å; V154-F165 HydrophobicContact CB-CD2 4.18Å; V154-F165 HydrophobicContact CG1-CD2 3.96Å; V154-F165 HydrophobicContact CG2-CD2 3.69Å; V154-F165 HydrophobicContact CG2-CE2 3.83Å; V154-F165 HydrophobicContact CG2-CG 4.25Å; S163-F165 PolarHBondContact O-N 2.78Å; S163-F165 PolarHBondContact OG-N 3.26Å; F165-F171 AromaticContact CD1-CD2 3.72Å; F165-F171 HydrophobicContact CD1-CD2 3.72Å; F165-F171 AromaticContact CD1-CE2 3.9Å; F165-F171 HydrophobicContact CD1-CE2 3.9Å; F165-F171 AromaticContact CE1-CD2 3.97Å; F165-F171 HydrophobicContact CE1-CD2 3.97Å; F165-F171 AromaticContact CE1-CE2 3.87Å; F165-F171 HydrophobicContact CE1-CE2 3.87Å
166T81.1Confident81Confident88 Ų8868.4 Ų68.454%0.5434%0.339SS..G310 helixtrans-74.7-30174.756.80000112.4S163 Y164 K168S163-T166 WeakPolarHBondContact O-CB 3.48Å; S163-T166 PolarHBondContact O-N 2.79Å; S163-T166 PolarHBondContact O-OG1 2.9Å; Y164-T166 VanDerWaalsContact C-N 3.34Å; Y164-T166 PolarHBondContact O-N 3.21Å; T166-K168 PolarHBondContact O-N 3.33Å; T166-K168 VanDerWaalsContact O-N 3.13Å
167D87.4Confident81.6Confident85 Ų8563.9 Ų63.946%0.45532%0.319SS..  trans-80.393.9171.4-171.9-15.2000110.4S169 H170 F171D167-S169 PolarHBondContact O-N 3.04Å; D167-S169 WeakPolarHBondContact OD1-CB 3.42Å; D167-S169 PolarHBondContact OD1-N 2.91Å; D167-H170 HydrophobicContact CB-CB 3.92Å; D167-H170 VanDerWaalsContact CG-CB 3.47Å; D167-H170 PolarHBondContact O-N 2.94Å; D167-H170 PolarHBondContact OD1-N 3.2Å; D167-H170 WeakPolarHBondContact OD2-CB 3.35Å; D167-F171 PolarHBondContact O-N 3.01Å
168K89.7Confident82.2Confident110 Ų11062.2 Ų62.248%0.47831%0.309SS..Hα-helixtrans-58.5-34.7178.5-60.3-173.4179-178.40112.6T166 V172 Y205 Y208T166-K168 PolarHBondContact O-N 3.33Å; T166-K168 VanDerWaalsContact O-N 3.13Å; K168-V172 WeakPolarHBondContact O-CG2 3.21Å; K168-V172 PolarHBondContact O-N 3.03Å; K168-Y205 HydrophobicContact CB-CD1 4.18Å; K168-Y205 HydrophobicContact CB-CE1 3.89Å; K168-Y205 HydrophobicContact CD-CE1 4.02Å; K168-Y205 HydrophobicContact CG-CE1 3.9Å; K168-Y208 HydrophobicContact CB-CD2 4.31Å; K168-Y208 HydrophobicContact CB-CE2 3.78Å; K168-Y208 HydrophobicContact CD-CE2 4.22Å
169S91.4Very high83.1Confident37 Ų3760.4 Ų60.426%0.25930%0.301SS..Hα-helixtrans-71.8-48.5-178.7-173.90000110D167 F171 V172 K173D167-S169 PolarHBondContact O-N 3.04Å; D167-S169 WeakPolarHBondContact OD1-CB 3.42Å; D167-S169 PolarHBondContact OD1-N 2.91Å; S169-F171 PolarHBondContact O-N 3.48Å; S169-V172 PolarHBondContact O-N 2.95Å; S169-K173 WeakPolarHBondContact O-CB 3.37Å; S169-K173 VanDerWaalsContact O-CG 3.27Å; S169-K173 WeakPolarHBondContact O-CG 3.34Å; S169-K173 PolarHBondContact O-N 3.25Å
170H91.3Very high84.1Confident90 Ų9053 Ų5342%0.41728%0.275SS..Hα-helixtrans-61.6-43.1180-171.673.3000112.2Y164 D167 V172 K173 N174Y164-H170 AromaticContact CD2-CD2 4Å; Y164-H170 AromaticContact CE2-CD2 3.27Å; Y164-H170 WeakPolarHBondContact CE2-CD2 3.34Å; Y164-H170 AromaticContact CE2-NE2 3.32Å; Y164-H170 VanDerWaalsContact CE2-NE2 3.32Å; Y164-H170 WeakPolarHBondContact CE2-NE2 3.49Å; Y164-H170 AromaticContact CZ-CD2 3.66Å; Y164-H170 AromaticContact CZ-NE2 3.94Å; D167-H170 HydrophobicContact CB-CB 3.92Å; D167-H170 VanDerWaalsContact CG-CB 3.47Å; D167-H170 PolarHBondContact O-N 2.94Å; D167-H170 PolarHBondContact OD1-N 3.2Å; D167-H170 WeakPolarHBondContact OD2-CB 3.35Å; H170-V172 PolarHBondContact O-N 2.84Å; H170-K173 PolarHBondContact O-N 3.34Å; H170-N174 WeakPolarHBondContact O-CB 3.3Å; H170-N174 PolarHBondContact O-N 3.28Å
171F93.5Very high85.2Confident0 Ų049.3 Ų49.30%026%0.26CS..Hα-helixtrans-57.6-49.4176.1174.9-107.1000112.6F114 V150 P151 Y164 F165 D167 S169 N174 I175 L200 Y205F114-F171 HydrophobicContact CD1-CE2 4.24Å; F114-F171 AromaticContact CE1-CE2 3.9Å; F114-F171 HydrophobicContact CE1-CE2 3.9Å; F114-F171 HydrophobicContact CZ-CE2 4.26Å; V150-F171 HydrophobicContact CB-CE2 4.46Å; V150-F171 HydrophobicContact CB-CZ 4.37Å; P151-F171 VanDerWaalsContact CD-CZ 3.41Å; P151-F171 HydrophobicContact CG-CD1 3.72Å; P151-F171 HydrophobicContact CG-CD2 4.18Å; P151-F171 HydrophobicContact CG-CE1 3.42Å; P151-F171 VanDerWaalsContact CG-CE1 3.42Å; P151-F171 HydrophobicContact CG-CE2 3.92Å; P151-F171 HydrophobicContact CG-CG 4.08Å; P151-F171 HydrophobicContact CG-CZ 3.52Å; Y164-F171 HydrophobicContact CE1-CD2 4.29Å; F165-F171 AromaticContact CD1-CD2 3.72Å; F165-F171 HydrophobicContact CD1-CD2 3.72Å; F165-F171 AromaticContact CD1-CE2 3.9Å; F165-F171 HydrophobicContact CD1-CE2 3.9Å; F165-F171 AromaticContact CE1-CD2 3.97Å; F165-F171 HydrophobicContact CE1-CD2 3.97Å; F165-F171 AromaticContact CE1-CE2 3.87Å; F165-F171 HydrophobicContact CE1-CE2 3.87Å; D167-F171 PolarHBondContact O-N 3.01Å; S169-F171 PolarHBondContact O-N 3.48Å; F171-N174 PolarHBondContact O-N 3.4Å; F171-I175 HydrophobicContact CD1-CD1 4.18Å; F171-I175 HydrophobicContact CD2-CD1 4.32Å; F171-I175 HydrophobicContact CE1-CD1 3.52Å; F171-I175 HydrophobicContact CE2-CD1 3.68Å; F171-I175 HydrophobicContact CE2-CG1 4.44Å; F171-I175 HydrophobicContact CZ-CD1 3.24Å; F171-I175 HydrophobicContact CZ-CG1 4.41Å; F171-I175 PolarHBondContact O-N 3.45Å; F171-L200 HydrophobicContact CE1-CD2 4.25Å; F171-Y205 HydrophobicContact CE1-CE2 4.39Å
172V94.1Very high86.4Confident0 Ų044.5 Ų44.50%024%0.235CC..Hα-helixtrans-65.1-43.5179.1173.30000111K168 S169 H170 N174 I175 L176 Y205 V209K168-V172 WeakPolarHBondContact O-CG2 3.21Å; K168-V172 PolarHBondContact O-N 3.03Å; S169-V172 PolarHBondContact O-N 2.95Å; H170-V172 PolarHBondContact O-N 2.84Å; V172-N174 VanDerWaalsContact C-N 3.32Å; V172-N174 PolarHBondContact O-N 3.09Å; V172-I175 PolarHBondContact O-N 3.3Å; V172-L176 HydrophobicContact CG1-CD1 3.66Å; V172-L176 HydrophobicContact CG1-CG 4.14Å; V172-L176 WeakPolarHBondContact O-CB 3.46Å; V172-L176 WeakPolarHBondContact O-CG 3.49Å; V172-L176 PolarHBondContact O-N 2.92Å; V172-Y205 HydrophobicContact CG2-CD1 3.77Å; V172-Y205 HydrophobicContact CG2-CD2 4.4Å; V172-Y205 HydrophobicContact CG2-CG 3.7Å; V172-V209 HydrophobicContact CG1-CG2 3.84Å
173K93.6Very high87.1Confident82 Ų8243.8 Ų43.836%0.35723%0.233SC..Hα-helixtrans-58.4-44.2176.8-76.3-173.4173.9-163.40111.6S169 H170 L176 S177 F212 E215S169-K173 WeakPolarHBondContact O-CB 3.37Å; S169-K173 VanDerWaalsContact O-CG 3.27Å; S169-K173 WeakPolarHBondContact O-CG 3.34Å; S169-K173 PolarHBondContact O-N 3.25Å; H170-K173 PolarHBondContact O-N 3.34Å; K173-L176 PolarHBondContact O-N 2.91Å; K173-S177 WeakPolarHBondContact O-CB 3.46Å; K173-S177 PolarHBondContact O-N 3.5Å; K173-S177 PolarHBondContact O-OG 2.96Å; K173-F212 HydrophobicContact CB-CD2 4.39Å; K173-F212 HydrophobicContact CB-CE2 4.46Å; K173-F212 HydrophobicContact CG-CD2 3.87Å; K173-F212 HydrophobicContact CG-CE2 4.36Å; K173-E215 IonicContact NZ-OE2 2.73Å
174N93.1Very high87.2Confident17 Ų1747.5 Ų47.59%0.09125%0.252CS..Hα-helixtrans-59.5-52177.9-172.610.4000110.9F114 N118 Y164 H170 F171 V172 L176 S177 A178F114-N174 PolarHBondContact O-ND2 3.29Å; N118-N174 PolarHBondContact OD1-OD1 2.94Å; Y164-N174 WeakPolarHBondContact OH-CB 3.32Å; Y164-N174 PolarHBondContact OH-ND2 3.02Å; H170-N174 WeakPolarHBondContact O-CB 3.3Å; H170-N174 PolarHBondContact O-N 3.28Å; F171-N174 PolarHBondContact O-N 3.4Å; V172-N174 VanDerWaalsContact C-N 3.32Å; V172-N174 PolarHBondContact O-N 3.09Å; N174-L176 PolarHBondContact O-N 3.49Å; N174-S177 PolarHBondContact O-N 3.12Å; N174-S177 PolarHBondContact O-OG 3.19Å; N174-A178 PolarHBondContact O-N 3.43Å
175I94.4Very high86.9Confident0 Ų051.6 Ų51.60%028%0.275CS..Hα-helixtrans-58.2-49.6179.2-68.1172.1000112F114 L147 F171 V172 S177 A178 F179 I196 L200F114-I175 HydrophobicContact CE1-CG1 4.37Å; L147-I175 HydrophobicContact CD1-CD1 4.33Å; L147-I175 HydrophobicContact CD1-CG1 4.49Å; L147-I175 HydrophobicContact CD2-CG2 3.99Å; L147-I175 HydrophobicContact CG-CD1 4.06Å; L147-I175 HydrophobicContact CG-CG1 4.46Å; F171-I175 HydrophobicContact CD1-CD1 4.18Å; F171-I175 HydrophobicContact CD2-CD1 4.32Å; F171-I175 HydrophobicContact CE1-CD1 3.52Å; F171-I175 HydrophobicContact CE2-CD1 3.68Å; F171-I175 HydrophobicContact CE2-CG1 4.44Å; F171-I175 HydrophobicContact CZ-CD1 3.24Å; F171-I175 HydrophobicContact CZ-CG1 4.41Å; F171-I175 PolarHBondContact O-N 3.45Å; V172-I175 PolarHBondContact O-N 3.3Å; I175-S177 VanDerWaalsContact C-N 3.34Å; I175-S177 PolarHBondContact O-N 3.23Å; I175-A178 WeakPolarHBondContact O-CB 3.48Å; I175-A178 PolarHBondContact O-N 2.76Å; I175-F179 HydrophobicContact CG2-CE1 4.13Å; I175-F179 WeakPolarHBondContact O-CD1 3.44Å; I175-F179 WeakPolarHBondContact O-CE1 3.38Å; I175-I196 HydrophobicContact CG2-CG2 3.8Å; I175-L200 HydrophobicContact CD1-CD2 4.17Å; I175-L200 HydrophobicContact CG2-CD1 4.13Å
176L93.6Very high87Confident0 Ų052.9 Ų52.90%029%0.285CS..Hα-helixtrans-72.8-28.1-175.6-63.8-178.5000112.5V172 K173 N174 A178 F179 V197 L200 V209 F212 W225V172-L176 HydrophobicContact CG1-CD1 3.66Å; V172-L176 HydrophobicContact CG1-CG 4.14Å; V172-L176 WeakPolarHBondContact O-CB 3.46Å; V172-L176 WeakPolarHBondContact O-CG 3.49Å; V172-L176 PolarHBondContact O-N 2.92Å; K173-L176 PolarHBondContact O-N 2.91Å; N174-L176 PolarHBondContact O-N 3.49Å; L176-A178 VanDerWaalsContact C-N 3.28Å; L176-A178 PolarHBondContact O-N 3.27Å; L176-F179 HydrophobicContact CD2-CD2 4.31Å; L176-F179 HydrophobicContact CD2-CE1 4.34Å; L176-F179 HydrophobicContact CD2-CE2 3.63Å; L176-F179 HydrophobicContact CD2-CZ 3.66Å; L176-F179 WeakPolarHBondContact O-CB 3.32Å; L176-F179 PolarHBondContact O-N 2.78Å; L176-V197 HydrophobicContact CD2-CG2 4.09Å; L176-L200 HydrophobicContact CD2-CD1 4.01Å; L176-L200 HydrophobicContact CG-CD1 4.44Å; L176-V209 HydrophobicContact CD1-CB 4.38Å; L176-V209 HydrophobicContact CD1-CG1 4.25Å; L176-V209 HydrophobicContact CD1-CG2 4.29Å; L176-F212 HydrophobicContact CB-CD1 3.42Å; L176-F212 VanDerWaalsContact CB-CD1 3.42Å; L176-F212 HydrophobicContact CB-CE1 3.29Å; L176-F212 HydrophobicContact CB-CG 4.11Å; L176-F212 HydrophobicContact CB-CZ 3.89Å; L176-F212 HydrophobicContact CD1-CB 3.88Å; L176-F212 HydrophobicContact CD1-CD1 3.54Å; L176-F212 HydrophobicContact CD1-CE1 4.32Å; L176-F212 HydrophobicContact CD1-CG 3.88Å; L176-F212 HydrophobicContact CG-CD1 4.13Å; L176-F212 HydrophobicContact CG-CE1 4.45Å; L176-W225 HydrophobicContact CB-CH2 4.28Å; L176-W225 HydrophobicContact CD2-CH2 4.46Å; L176-W225 HydrophobicContact CD2-CZ3 4.49Å
177S91.6Very high87.2Confident43 Ų4354.6 Ų54.630%0.30129%0.287SS..Hα-helixtrans-66.5-32174.373.80000112.4K173 N174 I175 F179 K180K173-S177 WeakPolarHBondContact O-CB 3.46Å; K173-S177 PolarHBondContact O-N 3.5Å; K173-S177 PolarHBondContact O-OG 2.96Å; N174-S177 PolarHBondContact O-N 3.12Å; N174-S177 PolarHBondContact O-OG 3.19Å; I175-S177 VanDerWaalsContact C-N 3.34Å; I175-S177 PolarHBondContact O-N 3.23Å; S177-F179 PolarHBondContact O-N 3.3Å; S177-K180 PolarHBondContact O-N 3.45Å
178A91.2Very high87.1Confident0 Ų053.3 Ų53.30%028%0.28CS..Hα-helixtrans-61.4-24.917700000112.9V120 P121 I124 N174 I175 L176 K180 L181V120-A178 HydrophobicContact CB-CB 3.68Å; V120-A178 HydrophobicContact CG1-CB 3.55Å; P121-A178 HydrophobicContact CG-CB 3.81Å; I124-A178 HydrophobicContact CD1-CB 4.39Å; N174-A178 PolarHBondContact O-N 3.43Å; I175-A178 WeakPolarHBondContact O-CB 3.48Å; I175-A178 PolarHBondContact O-N 2.76Å; L176-A178 VanDerWaalsContact C-N 3.28Å; L176-A178 PolarHBondContact O-N 3.27Å; A178-K180 PolarHBondContact O-N 3.29Å; A178-K180 VanDerWaalsContact O-N 3.12Å; A178-L181 PolarHBondContact O-N 3.01Å
179F90.3Very high87Confident8 Ų848.4 Ų48.44%0.03526%0.259CS..THydrogen-bonded Turntrans-61.1-26.3-178.4-67.710.5000112.3I124 I175 L176 S177 L193 I196 V197 W225 L228I124-F179 HydrophobicContact CD1-CD1 3.9Å; I124-F179 HydrophobicContact CD1-CE1 4.17Å; I175-F179 HydrophobicContact CG2-CE1 4.13Å; I175-F179 WeakPolarHBondContact O-CD1 3.44Å; I175-F179 WeakPolarHBondContact O-CE1 3.38Å; L176-F179 HydrophobicContact CD2-CD2 4.31Å; L176-F179 HydrophobicContact CD2-CE1 4.34Å; L176-F179 HydrophobicContact CD2-CE2 3.63Å; L176-F179 HydrophobicContact CD2-CZ 3.66Å; L176-F179 WeakPolarHBondContact O-CB 3.32Å; L176-F179 PolarHBondContact O-N 2.78Å; S177-F179 PolarHBondContact O-N 3.3Å; F179-L193 HydrophobicContact CB-CD1 4.23Å; F179-L193 HydrophobicContact CB-CD2 4.43Å; F179-L193 HydrophobicContact CD1-CD2 3.54Å; F179-L193 HydrophobicContact CD2-CB 4.21Å; F179-L193 HydrophobicContact CD2-CD1 4.11Å; F179-L193 HydrophobicContact CD2-CD2 4.04Å; F179-L193 HydrophobicContact CD2-CG 4.33Å; F179-L193 HydrophobicContact CE1-CD2 3.64Å; F179-L193 HydrophobicContact CE2-CB 3.96Å; F179-L193 HydrophobicContact CE2-CD2 4.11Å; F179-L193 HydrophobicContact CE2-CG 4.45Å; F179-L193 HydrophobicContact CG-CD1 4.14Å; F179-L193 HydrophobicContact CG-CD2 3.75Å; F179-L193 HydrophobicContact CG-CG 4.41Å; F179-L193 HydrophobicContact CZ-CB 4.29Å; F179-L193 HydrophobicContact CZ-CD2 3.92Å; F179-I196 HydrophobicContact CE1-CD1 4.26Å; F179-I196 HydrophobicContact CE1-CG2 4.14Å; F179-I196 HydrophobicContact CZ-CB 4.05Å; F179-I196 HydrophobicContact CZ-CD1 4.47Å; F179-I196 HydrophobicContact CZ-CG2 3.79Å; F179-V197 HydrophobicContact CE2-CG2 3.91Å; F179-V197 HydrophobicContact CZ-CG2 4.35Å; F179-W225 AromaticContact CD2-CH2 3.9Å; F179-W225 HydrophobicContact CD2-CH2 3.9Å; F179-W225 AromaticContact CD2-CZ3 3.96Å; F179-W225 HydrophobicContact CD2-CZ3 3.96Å; F179-W225 HydrophobicContact CE2-CH2 4.45Å; F179-W225 HydrophobicContact CE2-CZ3 4.19Å; F179-L228 HydrophobicContact CD2-CD2 4.15Å; F179-L228 HydrophobicContact CE2-CD2 4.35Å
180K84.7Confident87Confident83 Ų8347.3 Ų47.336%0.36125%0.25SC..THydrogen-bonded Turntrans-78-21.1177-63.2-177.6178.8-176.30113.9S177 A178 V182 Q216 Y220S177-K180 PolarHBondContact O-N 3.45Å; A178-K180 PolarHBondContact O-N 3.29Å; A178-K180 VanDerWaalsContact O-N 3.12Å; K180-V182 VanDerWaalsContact C-N 3.33Å; K180-Q216 VanDerWaalsContact CE-OE1 3.25Å; K180-Y220 VanDerWaalsContact NZ-CD2 3.27Å; K180-Y220 VanDerWaalsContact NZ-CZ 3.26Å
181L84.8Confident87Confident104 Ų10446.1 Ų46.155%0.54524%0.242SC..THydrogen-bonded Turntrans-89.4-6.5-176.6-60.3175.8000111.9P121 A178 S183P121-L181 HydrophobicContact CB-CB 3.95Å; P121-L181 HydrophobicContact CG-CB 3.79Å; P121-L181 HydrophobicContact CG-CD1 3.64Å; P121-L181 HydrophobicContact CG-CG 4.34Å; A178-L181 PolarHBondContact O-N 3.01Å; L181-S183 PolarHBondContact O-N 3.12Å
182V81Confident86.9Confident15 Ų1546.1 Ų46.19%0.09124%0.242CC..  trans-77.6113.8177.3-174.90000108.7I124 I128 K180 T189I124-V182 HydrophobicContact CB-CG2 4Å; I124-V182 HydrophobicContact CD1-CG2 3.91Å; I124-V182 HydrophobicContact CG2-CG1 4.05Å; I124-V182 HydrophobicContact CG2-CG2 3.63Å; I128-V182 HydrophobicContact CD1-CG1 4.22Å; K180-V182 VanDerWaalsContact C-N 3.33Å; V182-T189 HydrophobicContact CG1-CG2 3.87Å
183S70.2Confident86.9Confident99 Ų9946.3 Ų46.369%0.69224%0.242SC*.  trans-69.9-31.7-178.151.70000113.5L181L181-S183 PolarHBondContact O-N 3.12Å
184D70.7Confident86.9Confident90 Ų9042.4 Ų42.448%0.48123%0.225SC..  trans-90.9108.6-173.3-86.2-7000112.5S186 T189D184-S186 PolarHBondContact O-N 3.04Å; D184-T189 WeakPolarHBondContact O-CB 3.32Å; D184-T189 VanDerWaalsContact O-CG2 3.31Å; D184-T189 WeakPolarHBondContact O-CG2 3.28Å; D184-T189 PolarHBondContact O-OG1 3.45Å
185I74.7Confident86.9Confident121 Ų12142 Ų4262%0.62122%0.224SC*.  trans-93.168.6176.3-51.3179.4000109.3Y190I185-Y190 HydrophobicContact CG2-CE1 4.45Å; I185-Y190 HydrophobicContact CG2-CE2 3.59Å; I185-Y190 VanDerWaalsContact CG2-CZ 3.42Å; I185-Y190 WeakPolarHBondContact CG2-OH 3.33Å
186S84.1Confident87Confident38 Ų3842 Ų4227%0.26622%0.224SC..  trans-98160.8175.580.50000111.8D184 N188 T189 Y190D184-S186 PolarHBondContact O-N 3.04Å; S186-N188 PolarHBondContact O-N 2.73Å; S186-N188 PolarHBondContact OG-N 3.28Å; S186-T189 PolarHBondContact N-OG1 3.5Å; S186-T189 VanDerWaalsContact O-CB 3.26Å; S186-T189 WeakPolarHBondContact O-CB 3.38Å; S186-T189 PolarHBondContact O-N 3.31Å; S186-T189 PolarHBondContact OG-N 3.4Å; S186-T189 VanDerWaalsContact OG-N 3.07Å; S186-T189 PolarHBondContact OG-OG1 2.86Å; S186-Y190 VanDerWaalsContact O-CD2 3.3Å; S186-Y190 WeakPolarHBondContact O-CD2 3.22Å; S186-Y190 PolarHBondContact O-N 3.1Å
187Q85.2Confident87.1Confident125 Ų12542.1 Ų42.158%0.58422%0.224SC*.Hα-helixtrans-58.6-33.2173.6-171.264.94.500112.2R191 H231Q187-R191 PolarHBondContact O-N 3.31Å; Q187-R191 VanDerWaalsContact O-N 3.13Å; Q187-H231 PolarHBondContact NE2-CE1 2.91Å; Q187-H231 VanDerWaalsContact NE2-CE1 3.29Å; Q187-H231 PolarHBondContact NE2-NE2 3.14Å; Q187-H231 VanDerWaalsContact NE2-NE2 3.15Å
188N85.8Confident87.3Confident58 Ų5840 Ų4031%0.3121%0.21SC..Hα-helixtrans-71.3-33.7176.6-71.1-32.1000112.4I131 S186 R191 L192I131-N188 HydrophobicContact CD1-CB 3.53Å; I131-N188 WeakPolarHBondContact CG2-ND2 3.41Å; S186-N188 PolarHBondContact O-N 2.73Å; S186-N188 PolarHBondContact OG-N 3.28Å; N188-R191 WeakPolarHBondContact O-CB 3.41Å; N188-R191 PolarHBondContact O-N 3.39Å; N188-L192 PolarHBondContact O-N 2.86Å
189T88.7Confident87.6Confident6 Ų641 Ų414%0.03721%0.214CC..Hα-helixtrans-58.4-54.8171.9-49.90000109.6I128 V182 D184 S186 R191 L192 L193I128-T189 HydrophobicContact CD1-CG2 3.85Å; I128-T189 WeakPolarHBondContact CD1-OG1 3.45Å; V182-T189 HydrophobicContact CG1-CG2 3.87Å; D184-T189 WeakPolarHBondContact O-CB 3.32Å; D184-T189 VanDerWaalsContact O-CG2 3.31Å; D184-T189 WeakPolarHBondContact O-CG2 3.28Å; D184-T189 PolarHBondContact O-OG1 3.45Å; S186-T189 PolarHBondContact N-OG1 3.5Å; S186-T189 VanDerWaalsContact O-CB 3.26Å; S186-T189 WeakPolarHBondContact O-CB 3.38Å; S186-T189 PolarHBondContact O-N 3.31Å; S186-T189 PolarHBondContact OG-N 3.4Å; S186-T189 VanDerWaalsContact OG-N 3.07Å; S186-T189 PolarHBondContact OG-OG1 2.86Å; T189-R191 PolarHBondContact O-N 3.36Å; T189-L192 PolarHBondContact O-N 2.93Å; T189-L192 VanDerWaalsContact O-N 3.08Å; T189-L193 HydrophobicContact CG2-CD1 4.05Å; T189-L193 HydrophobicContact CG2-CG 4.19Å; T189-L193 VanDerWaalsContact O-CG 3.29Å; T189-L193 WeakPolarHBondContact O-CG 3.08Å; T189-L193 PolarHBondContact O-N 3.48Å
190Y90.3Very high87.9Confident15 Ų1540.6 Ų40.66%0.05921%0.212CC..Hα-helixtrans-57.2-36.4178.6-68.1-62000112.9I185 S186 G194 I224 K227 L228I185-Y190 HydrophobicContact CG2-CE1 4.45Å; I185-Y190 HydrophobicContact CG2-CE2 3.59Å; I185-Y190 VanDerWaalsContact CG2-CZ 3.42Å; I185-Y190 WeakPolarHBondContact CG2-OH 3.33Å; S186-Y190 VanDerWaalsContact O-CD2 3.3Å; S186-Y190 WeakPolarHBondContact O-CD2 3.22Å; S186-Y190 PolarHBondContact O-N 3.1Å; Y190-G194 PolarHBondContact O-N 3Å; Y190-I224 HydrophobicContact CE1-CG2 4.26Å; Y190-K227 HydrophobicContact CD1-CB 3.71Å; Y190-K227 HydrophobicContact CD2-CB 4.38Å; Y190-K227 HydrophobicContact CE1-CB 3.69Å; Y190-K227 HydrophobicContact CE1-CD 4.07Å; Y190-K227 HydrophobicContact CE2-CB 4.37Å; Y190-K227 HydrophobicContact CE2-CD 3.89Å; Y190-K227 HydrophobicContact CG-CB 4.05Å; Y190-K227 WeakPolarHBondContact OH-CD 3.42Å; Y190-L228 HydrophobicContact CD1-CB 4.29Å
191R90.8Very high88.4Confident65 Ų6536.8 Ų36.825%0.24520%0.196CC..Hα-helixtrans-62.8-48.7175.2-169.8-179.1-170.8169.710.4112.4L140 Q187 N188 T189 G194 L195L140-R191 HydrophobicContact CD1-CG 4.46Å; Q187-R191 PolarHBondContact O-N 3.31Å; Q187-R191 VanDerWaalsContact O-N 3.13Å; N188-R191 WeakPolarHBondContact O-CB 3.41Å; N188-R191 PolarHBondContact O-N 3.39Å; T189-R191 PolarHBondContact O-N 3.36Å; R191-G194 PolarHBondContact O-N 3.03Å; R191-L195 HydrophobicContact CG-CD1 4.36Å; R191-L195 VanDerWaalsContact O-CG 3.28Å; R191-L195 WeakPolarHBondContact O-CG 3.35Å; R191-L195 PolarHBondContact O-N 3.42Å
192L92Very high88.9Confident0 Ų035.5 Ų35.50%019%0.189CC..Hα-helixtrans-62.6-47.1177.3178.555.2000111.2I124 C127 I128 L140 A144 N188 T189 G194 L195 I196I124-L192 HydrophobicContact CG2-CD2 4.11Å; C127-L192 HydrophobicContact CB-CD2 3.55Å; I128-L192 HydrophobicContact CG1-CD2 4.39Å; L140-L192 HydrophobicContact CB-CD1 4.29Å; L140-L192 HydrophobicContact CD2-CB 4.15Å; L140-L192 HydrophobicContact CD2-CD1 3.99Å; L140-L192 HydrophobicContact CD2-CD2 4.15Å; L140-L192 HydrophobicContact CD2-CG 4.31Å; A144-L192 HydrophobicContact CB-CD1 4.39Å; N188-L192 PolarHBondContact O-N 2.86Å; T189-L192 PolarHBondContact O-N 2.93Å; T189-L192 VanDerWaalsContact O-N 3.08Å; L192-G194 VanDerWaalsContact C-N 3.33Å; L192-G194 PolarHBondContact O-N 3.03Å; L192-L195 PolarHBondContact O-N 2.75Å; L192-L195 VanDerWaalsContact O-N 3.17Å; L192-I196 HydrophobicContact CD1-CD1 4.1Å; L192-I196 HydrophobicContact CD1-CG1 4.22Å; L192-I196 HydrophobicContact CG-CD1 3.97Å; L192-I196 WeakPolarHBondContact O-CG1 3.45Å; L192-I196 PolarHBondContact O-N 2.48Å
193L93.5Very high89.4Confident3 Ų335.9 Ų35.92%0.01619%0.194CC..Hα-helixtrans-60.6-42.7178.8-61.3-173000111.8I124 F179 T189 I196 V197 L228I124-L193 HydrophobicContact CD1-CD2 3.95Å; I124-L193 HydrophobicContact CG2-CD2 4.25Å; F179-L193 HydrophobicContact CB-CD1 4.23Å; F179-L193 HydrophobicContact CB-CD2 4.43Å; F179-L193 HydrophobicContact CD1-CD2 3.54Å; F179-L193 HydrophobicContact CD2-CB 4.21Å; F179-L193 HydrophobicContact CD2-CD1 4.11Å; F179-L193 HydrophobicContact CD2-CD2 4.04Å; F179-L193 HydrophobicContact CD2-CG 4.33Å; F179-L193 HydrophobicContact CE1-CD2 3.64Å; F179-L193 HydrophobicContact CE2-CB 3.96Å; F179-L193 HydrophobicContact CE2-CD2 4.11Å; F179-L193 HydrophobicContact CE2-CG 4.45Å; F179-L193 HydrophobicContact CG-CD1 4.14Å; F179-L193 HydrophobicContact CG-CD2 3.75Å; F179-L193 HydrophobicContact CG-CG 4.41Å; F179-L193 HydrophobicContact CZ-CB 4.29Å; F179-L193 HydrophobicContact CZ-CD2 3.92Å; T189-L193 HydrophobicContact CG2-CD1 4.05Å; T189-L193 HydrophobicContact CG2-CG 4.19Å; T189-L193 VanDerWaalsContact O-CG 3.29Å; T189-L193 WeakPolarHBondContact O-CG 3.08Å; T189-L193 PolarHBondContact O-N 3.48Å; L193-I196 HydrophobicContact CD2-CD1 4.45Å; L193-I196 PolarHBondContact O-N 3.06Å; L193-V197 WeakPolarHBondContact O-CG2 3.4Å; L193-V197 PolarHBondContact O-N 3.17Å; L193-L228 HydrophobicContact CB-CB 4.1Å; L193-L228 HydrophobicContact CB-CD2 4.13Å; L193-L228 HydrophobicContact CD1-CD2 4.43Å
194G93.6Very high90.5Very high0 Ų034 Ų340%019%0.19CC..Hα-helixtrans-61.6-41.7174.500000112.7Y190 R191 L192 V197 S198 L228Y190-G194 PolarHBondContact O-N 3Å; R191-G194 PolarHBondContact O-N 3.03Å; L192-G194 VanDerWaalsContact C-N 3.33Å; L192-G194 PolarHBondContact O-N 3.03Å; G194-V197 PolarHBondContact O-N 3.18Å; G194-S198 PolarHBondContact O-N 2.88Å; G194-S198 PolarHBondContact O-OG 2.99Å; G194-L228 VanDerWaalsContact CA-O 3.28Å; G194-L228 WeakPolarHBondContact CA-O 3.07Å
195L94.9Very high91.7Very high10 Ų1030.3 Ų30.35%0.05217%0.169CC..Hα-helixtrans-66.7-38175.1-71171.9000112.5L140 E141 A144 R191 L192 S198 H199L140-L195 HydrophobicContact CB-CD1 3.9Å; E141-L195 HydrophobicContact CB-CD1 4.45Å; A144-L195 HydrophobicContact CB-CB 3.73Å; R191-L195 HydrophobicContact CG-CD1 4.36Å; R191-L195 VanDerWaalsContact O-CG 3.28Å; R191-L195 WeakPolarHBondContact O-CG 3.35Å; R191-L195 PolarHBondContact O-N 3.42Å; L192-L195 PolarHBondContact O-N 2.75Å; L192-L195 VanDerWaalsContact O-N 3.17Å; L195-S198 WeakPolarHBondContact O-CB 3.2Å; L195-S198 PolarHBondContact O-N 3.34Å; L195-H199 PolarHBondContact O-CD2 3.33Å; L195-H199 PolarHBondContact O-N 3Å
196I95.8Very high92.6Very high0 Ų025.1 Ų25.10%014%0.144CC..Hα-helixtrans-61.4-48174.6-68.5165.1000109.6I124 A144 L147 I175 F179 L192 L193 S198 H199 L200I124-I196 HydrophobicContact CG1-CD1 4.34Å; A144-I196 HydrophobicContact CB-CG1 3.83Å; L147-I196 HydrophobicContact CD2-CD1 3.98Å; L147-I196 HydrophobicContact CD2-CG1 4.29Å; L147-I196 HydrophobicContact CD2-CG2 4.18Å; I175-I196 HydrophobicContact CG2-CG2 3.8Å; F179-I196 HydrophobicContact CE1-CD1 4.26Å; F179-I196 HydrophobicContact CE1-CG2 4.14Å; F179-I196 HydrophobicContact CZ-CB 4.05Å; F179-I196 HydrophobicContact CZ-CD1 4.47Å; F179-I196 HydrophobicContact CZ-CG2 3.79Å; L192-I196 HydrophobicContact CD1-CD1 4.1Å; L192-I196 HydrophobicContact CD1-CG1 4.22Å; L192-I196 HydrophobicContact CG-CD1 3.97Å; L192-I196 WeakPolarHBondContact O-CG1 3.45Å; L192-I196 PolarHBondContact O-N 2.48Å; L193-I196 HydrophobicContact CD2-CD1 4.45Å; L193-I196 PolarHBondContact O-N 3.06Å; I196-S198 VanDerWaalsContact C-N 3.32Å; I196-S198 PolarHBondContact O-N 3.18Å; I196-H199 PolarHBondContact O-N 3.44Å; I196-L200 HydrophobicContact CG2-CD1 3.98Å; I196-L200 HydrophobicContact CG2-CG 4.35Å; I196-L200 WeakPolarHBondContact O-CB 3.31Å; I196-L200 WeakPolarHBondContact O-CG 3.27Å; I196-L200 PolarHBondContact O-N 3.12Å
197V95.9Very high93.1Very high1 Ų129 Ų291%0.00616%0.156CC..Hα-helixtrans-57.3-46.1174.8167.20000111L176 F179 L193 G194 H199 L200 C201 V209 L228 T232L176-V197 HydrophobicContact CD2-CG2 4.09Å; F179-V197 HydrophobicContact CE2-CG2 3.91Å; F179-V197 HydrophobicContact CZ-CG2 4.35Å; L193-V197 WeakPolarHBondContact O-CG2 3.4Å; L193-V197 PolarHBondContact O-N 3.17Å; G194-V197 PolarHBondContact O-N 3.18Å; V197-H199 PolarHBondContact O-N 3.36Å; V197-L200 PolarHBondContact O-N 2.83Å; V197-C201 PolarHBondContact O-N 2.93Å; V197-C201 PolarHBondContact O-SG 2.88Å; V197-V209 HydrophobicContact CG1-CG1 4.04Å; V197-L228 HydrophobicContact CB-CD1 4.44Å; V197-L228 HydrophobicContact CG2-CD1 3.88Å; V197-T232 HydrophobicContact CG1-CG2 4.42Å
198S96Very high93.6Very high0 Ų026.7 Ų26.70%014%0.142CC..Hα-helixtrans-56.3-47.4175.9-74.80000113.3G194 L195 I196 C201 L202 T232 S233 S236G194-S198 PolarHBondContact O-N 2.88Å; G194-S198 PolarHBondContact O-OG 2.99Å; L195-S198 WeakPolarHBondContact O-CB 3.2Å; L195-S198 PolarHBondContact O-N 3.34Å; I196-S198 VanDerWaalsContact C-N 3.32Å; I196-S198 PolarHBondContact O-N 3.18Å; S198-C201 PolarHBondContact O-N 3.3Å; S198-L202 VanDerWaalsContact O-CG 3.27Å; S198-L202 WeakPolarHBondContact O-CG 3.45Å; S198-L202 PolarHBondContact O-N 3.25Å; S198-T232 WeakPolarHBondContact OG-CA 3.28Å; S198-T232 WeakPolarHBondContact OG-CB 3.42Å; S198-S233 PolarHBondContact OG-N 2.96Å; S198-S236 WeakPolarHBondContact CB-OG 2.93Å; S198-S236 PolarHBondContact OG-OG 3.38Å
199H96.1Very high94Very high20 Ų2024 Ų249%0.09313%0.128CC..Hα-helixtrans-73-33.5-178.6-79-67.9000112.7E141 A148 L195 I196 V197 L202 A203E141-H199 WeakPolarHBondContact CG-NE2 3.39Å; A148-H199 HydrophobicContact CB-CB 3.66Å; L195-H199 PolarHBondContact O-CD2 3.33Å; L195-H199 PolarHBondContact O-N 3Å; I196-H199 PolarHBondContact O-N 3.44Å; V197-H199 PolarHBondContact O-N 3.36Å; H199-L202 PolarHBondContact O-N 2.97Å; H199-A203 VanDerWaalsContact O-CB 3.28Å; H199-A203 WeakPolarHBondContact O-CB 3.31Å; H199-A203 PolarHBondContact O-N 3.39Å
200L96.5Very high94.3Very high0 Ų023.8 Ų23.80%013%0.127CC..Hα-helixtrans-61.4-45.3170-72173000111.2A148 F171 I175 L176 I196 V197 L202 A203 G204 Y205 V209A148-L200 HydrophobicContact CB-CD2 3.96Å; A148-L200 HydrophobicContact CB-CG 4.25Å; F171-L200 HydrophobicContact CE1-CD2 4.25Å; I175-L200 HydrophobicContact CD1-CD2 4.17Å; I175-L200 HydrophobicContact CG2-CD1 4.13Å; L176-L200 HydrophobicContact CD2-CD1 4.01Å; L176-L200 HydrophobicContact CG-CD1 4.44Å; I196-L200 HydrophobicContact CG2-CD1 3.98Å; I196-L200 HydrophobicContact CG2-CG 4.35Å; I196-L200 WeakPolarHBondContact O-CB 3.31Å; I196-L200 WeakPolarHBondContact O-CG 3.27Å; I196-L200 PolarHBondContact O-N 3.12Å; V197-L200 PolarHBondContact O-N 2.83Å; L200-L202 PolarHBondContact O-N 3.33Å; L200-A203 PolarHBondContact O-N 2.88Å; L200-G204 PolarHBondContact O-N 2.65Å; L200-Y205 HydrophobicContact CD2-CD2 3.92Å; L200-Y205 HydrophobicContact CD2-CE2 4.49Å; L200-Y205 WeakPolarHBondContact O-CB 3.48Å; L200-Y205 WeakPolarHBondContact O-CD2 3.44Å; L200-Y205 PolarHBondContact O-N 3.44Å; L200-V209 HydrophobicContact CB-CG2 3.86Å; L200-V209 HydrophobicContact CD1-CG2 4.26Å
201C95.9Very high94.5Very high3 Ų325.9 Ų25.92%0.0214%0.139CC..Iπ-helixtrans-59.6-46.8174.2-66.20000111.6V197 S198 A203 G204 S206 C240V197-C201 PolarHBondContact O-N 2.93Å; V197-C201 PolarHBondContact O-SG 2.88Å; S198-C201 PolarHBondContact O-N 3.3Å; C201-A203 VanDerWaalsContact C-N 3.26Å; C201-A203 PolarHBondContact O-N 3.22Å; C201-G204 PolarHBondContact O-N 3.18Å; C201-S206 VanDerWaalsContact CA-OG 3.27Å; C201-S206 WeakPolarHBondContact CA-OG 2.94Å; C201-S206 WeakPolarHBondContact CB-OG 3.49Å; C201-S206 PolarHBondContact O-OG 3.08Å; C201-C240 HydrophobicContact CB-CB 4.37Å; C201-C240 WeakPolarHBondContact CB-SG 2.93Å; C201-C240 VanDerWaalsContact SG-CA 3.54Å; C201-C240 WeakPolarHBondContact SG-CB 3.5Å; C201-C240 CovalentContact SG-SG 2.06Å; C201-C240 PolarHBondContact SG-SG 3.13Å
202L95.1Very high94.6Very high77 Ų7723.3 Ų23.340%0.40313%0.129SC..Iπ-helixtrans-64.1-30.3179.8-72.5168.3000112.8S198 H199 L200 G204 I239S198-L202 VanDerWaalsContact O-CG 3.27Å; S198-L202 WeakPolarHBondContact O-CG 3.45Å; S198-L202 PolarHBondContact O-N 3.25Å; H199-L202 PolarHBondContact O-N 2.97Å; L200-L202 PolarHBondContact O-N 3.33Å; L202-G204 PolarHBondContact O-N 2.78Å; L202-I239 HydrophobicContact CD2-CD1 4.15Å
203A92.6Very high94.7Very high23 Ų2323.3 Ų23.319%0.1913%0.129CC..Iπ-helixtrans-76.90.4174.100000113.7H199 L200 C201 Y205H199-A203 VanDerWaalsContact O-CB 3.28Å; H199-A203 WeakPolarHBondContact O-CB 3.31Å; H199-A203 PolarHBondContact O-N 3.39Å; L200-A203 PolarHBondContact O-N 2.88Å; C201-A203 VanDerWaalsContact C-N 3.26Å; C201-A203 PolarHBondContact O-N 3.22Å; A203-Y205 HydrophobicContact CB-CD2 3.75Å; A203-Y205 HydrophobicContact CB-CE2 3.72Å
204G92.5Very high94.6Very high58 Ų5824 Ų2460%0.59813%0.133SC*.Iπ-helixtrans9213.7177.400000114.8L200 C201 L202L200-G204 PolarHBondContact O-N 2.65Å; C201-G204 PolarHBondContact O-N 3.18Å; L202-G204 PolarHBondContact O-N 2.78Å
205Y95.2Very high94.4Very high13 Ų1328 Ų285%0.05115%0.152CC..Iπ-helixtrans-92.99.9179.1-58.2-66000114.4P151 K168 F171 V172 L200 A203 K207 Y208 V209P151-Y205 WeakPolarHBondContact CG-OH 3.39Å; K168-Y205 HydrophobicContact CB-CD1 4.18Å; K168-Y205 HydrophobicContact CB-CE1 3.89Å; K168-Y205 HydrophobicContact CD-CE1 4.02Å; K168-Y205 HydrophobicContact CG-CE1 3.9Å; F171-Y205 HydrophobicContact CE1-CE2 4.39Å; V172-Y205 HydrophobicContact CG2-CD1 3.77Å; V172-Y205 HydrophobicContact CG2-CD2 4.4Å; V172-Y205 HydrophobicContact CG2-CG 3.7Å; L200-Y205 HydrophobicContact CD2-CD2 3.92Å; L200-Y205 HydrophobicContact CD2-CE2 4.49Å; L200-Y205 WeakPolarHBondContact O-CB 3.48Å; L200-Y205 WeakPolarHBondContact O-CD2 3.44Å; L200-Y205 PolarHBondContact O-N 3.44Å; A203-Y205 HydrophobicContact CB-CD2 3.75Å; A203-Y205 HydrophobicContact CB-CE2 3.72Å; Y205-K207 VanDerWaalsContact C-N 3.29Å; Y205-K207 PolarHBondContact O-N 3.4Å; Y205-K207 VanDerWaalsContact O-N 3.13Å; Y205-Y208 HydrophobicContact CD1-CD2 4.05Å; Y205-Y208 HydrophobicContact CD1-CE2 4.4Å; Y205-Y208 PolarHBondContact O-N 2.95Å; Y205-V209 WeakPolarHBondContact O-CG2 3.25Å; Y205-V209 PolarHBondContact O-N 3.35Å
206S94.2Very high94.1Very high12 Ų1228.4 Ų28.48%0.08415%0.154CC..Hα-helixtrans-51.6-42.1-172-56.70000114.5C201 V209 S210 I239 S243C201-S206 VanDerWaalsContact CA-OG 3.27Å; C201-S206 WeakPolarHBondContact CA-OG 2.94Å; C201-S206 WeakPolarHBondContact CB-OG 3.49Å; C201-S206 PolarHBondContact O-OG 3.08Å; S206-V209 PolarHBondContact O-N 3.48Å; S206-S210 PolarHBondContact O-N 2.91Å; S206-S210 PolarHBondContact O-OG 3.29Å; S206-S210 VanDerWaalsContact O-OG 3.08Å; S206-I239 WeakPolarHBondContact OG-CG2 3.34Å; S206-S243 PolarHBondContact O-OG 3.13Å
207K94Very high93.5Very high119 Ų11929.3 Ų29.352%0.51716%0.159SC..Hα-helixtrans-60.4-53.1177.4-175.6-177.1174.9-175.10111.3Y205 V209 S210 D211Y205-K207 VanDerWaalsContact C-N 3.29Å; Y205-K207 PolarHBondContact O-N 3.4Å; Y205-K207 VanDerWaalsContact O-N 3.13Å; K207-V209 VanDerWaalsContact C-N 3.27Å; K207-V209 PolarHBondContact O-N 2.91Å; K207-S210 PolarHBondContact O-N 3.01Å; K207-S210 VanDerWaalsContact O-N 3.11Å; K207-D211 PolarHBondContact O-N 3.45Å
208Y95.3Very high92.8Very high77 Ų7734.4 Ų34.430%0.30218%0.182SC..Hα-helixtrans-62.8-35.4-179.1-52.4-71.2000112.6K168 Y205 F212K168-Y208 HydrophobicContact CB-CD2 4.31Å; K168-Y208 HydrophobicContact CB-CE2 3.78Å; K168-Y208 HydrophobicContact CD-CE2 4.22Å; Y205-Y208 HydrophobicContact CD1-CD2 4.05Å; Y205-Y208 HydrophobicContact CD1-CE2 4.4Å; Y205-Y208 PolarHBondContact O-N 2.95Å; Y208-F212 WeakPolarHBondContact O-CB 3.34Å; Y208-F212 PolarHBondContact O-N 3.37Å
209V96Very high91.9Very high3 Ų340.9 Ų40.92%0.01821%0.213CC..Hα-helixtrans-63.7-48.2173.9172.60000110.2V172 L176 V197 L200 Y205 S206 K207 F212 I213V172-V209 HydrophobicContact CG1-CG2 3.84Å; L176-V209 HydrophobicContact CD1-CB 4.38Å; L176-V209 HydrophobicContact CD1-CG1 4.25Å; L176-V209 HydrophobicContact CD1-CG2 4.29Å; V197-V209 HydrophobicContact CG1-CG1 4.04Å; L200-V209 HydrophobicContact CB-CG2 3.86Å; L200-V209 HydrophobicContact CD1-CG2 4.26Å; Y205-V209 WeakPolarHBondContact O-CG2 3.25Å; Y205-V209 PolarHBondContact O-N 3.35Å; S206-V209 PolarHBondContact O-N 3.48Å; K207-V209 VanDerWaalsContact C-N 3.27Å; K207-V209 PolarHBondContact O-N 2.91Å; V209-F212 PolarHBondContact O-N 3.11Å; V209-I213 HydrophobicContact CG1-CD1 3.77Å; V209-I213 WeakPolarHBondContact O-CB 3.49Å; V209-I213 VanDerWaalsContact O-CG1 3.23Å; V209-I213 WeakPolarHBondContact O-CG1 3.47Å; V209-I213 PolarHBondContact O-N 2.71Å
210S94.3Very high90.7Very high1 Ų145.9 Ų45.91%0.00723%0.231CC..Hα-helixtrans-62.3-46.9177-62.50000112.2S206 K207 F212 I213 V214 S243 L244S206-S210 PolarHBondContact O-N 2.91Å; S206-S210 PolarHBondContact O-OG 3.29Å; S206-S210 VanDerWaalsContact O-OG 3.08Å; K207-S210 PolarHBondContact O-N 3.01Å; K207-S210 VanDerWaalsContact O-N 3.11Å; S210-F212 VanDerWaalsContact C-N 3.31Å; S210-F212 PolarHBondContact O-N 3.06Å; S210-I213 PolarHBondContact O-N 3.43Å; S210-V214 WeakPolarHBondContact O-CB 3.28Å; S210-V214 VanDerWaalsContact O-CG2 3.26Å; S210-V214 WeakPolarHBondContact O-CG2 3.4Å; S210-V214 PolarHBondContact O-N 3.49Å; S210-S243 WeakPolarHBondContact CB-OG 3.44Å; S210-S243 WeakPolarHBondContact OG-CB 3.48Å; S210-S243 PolarHBondContact OG-OG 3.46Å; S210-L244 PolarHBondContact OG-N 3.27Å
211D93.7Very high89.6Confident58 Ų5850.6 Ų50.631%0.3126%0.262SS..Hα-helixtrans-56.8-46.6178.9-65.4-12.2000110.6K207 V214 E215K207-D211 PolarHBondContact O-N 3.45Å; D211-V214 PolarHBondContact O-N 3.43Å; D211-E215 WeakPolarHBondContact O-CB 3.35Å; D211-E215 PolarHBondContact O-N 3.15Å
212F93.7Very high88.7Confident11 Ų1152.5 Ų52.55%0.04827%0.273CS..Hα-helixtrans-63-49177.1-176.3-95.2000112.1K173 L176 Y208 V209 S210 V214 E215 Q216 W225K173-F212 HydrophobicContact CB-CD2 4.39Å; K173-F212 HydrophobicContact CB-CE2 4.46Å; K173-F212 HydrophobicContact CG-CD2 3.87Å; K173-F212 HydrophobicContact CG-CE2 4.36Å; L176-F212 HydrophobicContact CB-CD1 3.42Å; L176-F212 VanDerWaalsContact CB-CD1 3.42Å; L176-F212 HydrophobicContact CB-CE1 3.29Å; L176-F212 HydrophobicContact CB-CG 4.11Å; L176-F212 HydrophobicContact CB-CZ 3.89Å; L176-F212 HydrophobicContact CD1-CB 3.88Å; L176-F212 HydrophobicContact CD1-CD1 3.54Å; L176-F212 HydrophobicContact CD1-CE1 4.32Å; L176-F212 HydrophobicContact CD1-CG 3.88Å; L176-F212 HydrophobicContact CG-CD1 4.13Å; L176-F212 HydrophobicContact CG-CE1 4.45Å; Y208-F212 WeakPolarHBondContact O-CB 3.34Å; Y208-F212 PolarHBondContact O-N 3.37Å; V209-F212 PolarHBondContact O-N 3.11Å; S210-F212 VanDerWaalsContact C-N 3.31Å; S210-F212 PolarHBondContact O-N 3.06Å; F212-V214 VanDerWaalsContact C-N 3.29Å; F212-V214 PolarHBondContact O-N 3.31Å; F212-E215 PolarHBondContact O-N 3.25Å; F212-Q216 HydrophobicContact CD1-CG 3.82Å; F212-Q216 HydrophobicContact CD2-CG 4.48Å; F212-Q216 HydrophobicContact CE1-CG 3.45Å; F212-Q216 VanDerWaalsContact CE1-CG 3.45Å; F212-Q216 HydrophobicContact CE2-CG 4.21Å; F212-Q216 HydrophobicContact CG-CG 4.35Å; F212-Q216 HydrophobicContact CZ-CG 3.69Å; F212-Q216 VanDerWaalsContact O-CG 3.27Å; F212-Q216 WeakPolarHBondContact O-CG 3.43Å; F212-Q216 PolarHBondContact O-N 3.2Å; F212-W225 HydrophobicContact CD1-CH2 4.05Å; F212-W225 HydrophobicContact CD1-CZ2 4.19Å; F212-W225 AromaticContact CE1-CH2 3.85Å; F212-W225 HydrophobicContact CE1-CH2 3.85Å; F212-W225 AromaticContact CE1-CZ2 3.8Å; F212-W225 HydrophobicContact CE1-CZ2 3.8Å
213I93.3Very high88Confident0 Ų052.6 Ų52.60%028%0.275CS..Hα-helixtrans-59-44.6-179.8-70.1172.8000110.4V209 S210 Q216 I217 W225 L244 L257V209-I213 HydrophobicContact CG1-CD1 3.77Å; V209-I213 WeakPolarHBondContact O-CB 3.49Å; V209-I213 VanDerWaalsContact O-CG1 3.23Å; V209-I213 WeakPolarHBondContact O-CG1 3.47Å; V209-I213 PolarHBondContact O-N 2.71Å; S210-I213 PolarHBondContact O-N 3.43Å; I213-Q216 PolarHBondContact O-N 3.06Å; I213-I217 HydrophobicContact CG2-CD1 3.61Å; I213-I217 VanDerWaalsContact O-CD1 3.26Å; I213-I217 WeakPolarHBondContact O-CD1 3.37Å; I213-I217 VanDerWaalsContact O-CG1 3.22Å; I213-I217 WeakPolarHBondContact O-CG1 3.46Å; I213-I217 PolarHBondContact O-N 3.33Å; I213-I217 VanDerWaalsContact O-N 3.11Å; I213-W225 HydrophobicContact CD1-CE3 3.86Å; I213-W225 HydrophobicContact CD1-CZ3 3.99Å; I213-W225 HydrophobicContact CG1-CD2 4.14Å; I213-W225 HydrophobicContact CG1-CE3 3.62Å; I213-W225 HydrophobicContact CG1-CH2 4.16Å; I213-W225 HydrophobicContact CG1-CZ3 3.64Å; I213-W225 HydrophobicContact CG2-CD2 4.36Å; I213-W225 HydrophobicContact CG2-CE3 4.48Å; I213-W225 HydrophobicContact CG2-CG 4.43Å; I213-L244 HydrophobicContact CB-CD2 4.14Å; I213-L244 HydrophobicContact CD1-CD2 4.3Å; I213-L244 HydrophobicContact CG2-CD2 3.98Å; I213-L257 HydrophobicContact CG2-CD1 3.84Å; I213-L257 HydrophobicContact CG2-CD2 3.9Å; I213-L257 HydrophobicContact CG2-CG 4.49Å
214V91.3Very high87.7Confident17 Ų1754.4 Ų54.410%0.10328%0.28CS..Hα-helixtrans-63.2-43.5178.7169.70000111.5S210 D211 F212 Q218 P249S210-V214 WeakPolarHBondContact O-CB 3.28Å; S210-V214 VanDerWaalsContact O-CG2 3.26Å; S210-V214 WeakPolarHBondContact O-CG2 3.4Å; S210-V214 PolarHBondContact O-N 3.49Å; D211-V214 PolarHBondContact O-N 3.43Å; F212-V214 VanDerWaalsContact C-N 3.29Å; F212-V214 PolarHBondContact O-N 3.31Å; V214-Q218 WeakPolarHBondContact O-CG 3.42Å; V214-P249 HydrophobicContact CG1-CG 4.25Å
215E90.7Very high87.6Confident84 Ų8452.1 Ų52.139%0.39325%0.253SS..Hα-helixtrans-60.3-44.4174.9-173.1-177.7173.200111.1K173 D211 F212 I217 Q218K173-E215 IonicContact NZ-OE2 2.73Å; D211-E215 WeakPolarHBondContact O-CB 3.35Å; D211-E215 PolarHBondContact O-N 3.15Å; F212-E215 PolarHBondContact O-N 3.25Å; E215-I217 PolarHBondContact O-N 2.64Å; E215-Q218 WeakPolarHBondContact O-CB 3.39Å; E215-Q218 PolarHBondContact O-N 2.93Å
216Q87.6Confident87.5Confident19 Ų1951.9 Ų51.99%0.08925%0.254CS..Hα-helixtrans-66.6-37.9-177.5-69.3-47.5-49.100113.7K180 F212 I213 Q218 H219 Y220 W225K180-Q216 VanDerWaalsContact CE-OE1 3.25Å; F212-Q216 HydrophobicContact CD1-CG 3.82Å; F212-Q216 HydrophobicContact CD2-CG 4.48Å; F212-Q216 HydrophobicContact CE1-CG 3.45Å; F212-Q216 VanDerWaalsContact CE1-CG 3.45Å; F212-Q216 HydrophobicContact CE2-CG 4.21Å; F212-Q216 HydrophobicContact CG-CG 4.35Å; F212-Q216 HydrophobicContact CZ-CG 3.69Å; F212-Q216 VanDerWaalsContact O-CG 3.27Å; F212-Q216 WeakPolarHBondContact O-CG 3.43Å; F212-Q216 PolarHBondContact O-N 3.2Å; I213-Q216 PolarHBondContact O-N 3.06Å; Q216-Q218 PolarHBondContact O-N 2.81Å; Q216-H219 PolarHBondContact O-N 3Å; Q216-Y220 WeakPolarHBondContact O-CB 3.48Å; Q216-Y220 PolarHBondContact O-N 2.97Å; Q216-W225 HydrophobicContact CG-CZ2 4.36Å
217I84.6Confident87.3Confident19 Ų1955 Ų5510%0.09727%0.266CS..Hα-helixtrans-68.3-18.5-178.4-68.3161.1000112.2I213 E215 H219 T222 K253 L257I213-I217 HydrophobicContact CG2-CD1 3.61Å; I213-I217 VanDerWaalsContact O-CD1 3.26Å; I213-I217 WeakPolarHBondContact O-CD1 3.37Å; I213-I217 VanDerWaalsContact O-CG1 3.22Å; I213-I217 WeakPolarHBondContact O-CG1 3.46Å; I213-I217 PolarHBondContact O-N 3.33Å; I213-I217 VanDerWaalsContact O-N 3.11Å; E215-I217 PolarHBondContact O-N 2.64Å; I217-H219 PolarHBondContact O-N 3.3Å; I217-T222 HydrophobicContact CB-CG2 4.28Å; I217-T222 HydrophobicContact CD1-CG2 4.5Å; I217-T222 HydrophobicContact CG1-CG2 4.03Å; I217-T222 HydrophobicContact CG2-CG2 3.42Å; I217-T222 VanDerWaalsContact CG2-CG2 3.42Å; I217-K253 HydrophobicContact CG2-CB 4.42Å; I217-K253 HydrophobicContact CG2-CD 4.48Å; I217-K253 HydrophobicContact CG2-CG 4.12Å; I217-L257 HydrophobicContact CD1-CD1 3.51Å; I217-L257 HydrophobicContact CD1-CD2 3.27Å; I217-L257 HydrophobicContact CD1-CG 3.42Å; I217-L257 VanDerWaalsContact CD1-CG 3.42Å; I217-L257 HydrophobicContact CG1-CD2 4.34Å
218Q79.7Confident87.2Confident108 Ų10849.3 Ų49.351%0.50524%0.241SC..THydrogen-bonded Turntrans-66.5-26.9172.7-56.9-170.5200112.3V214 E215 Q216V214-Q218 WeakPolarHBondContact O-CG 3.42Å; E215-Q218 WeakPolarHBondContact O-CB 3.39Å; E215-Q218 PolarHBondContact O-N 2.93Å; Q216-Q218 PolarHBondContact O-N 2.81Å
219H77.8Confident87.1Confident137 Ų13745.6 Ų45.663%0.63423%0.227SC*.THydrogen-bonded Turntrans-117.6-19.9-170.8-58.5-60.1000113.9Q216 I217Q216-H219 PolarHBondContact O-N 3Å; I217-H219 PolarHBondContact O-N 3.3Å
220Y70.3Confident86.9Confident125 Ų12547.9 Ų47.949%0.4924%0.238SC..SBendtrans-131156-168.7-69.2-83.1000113.1K180 Q216 T222K180-Y220 VanDerWaalsContact NZ-CD2 3.27Å; K180-Y220 VanDerWaalsContact NZ-CZ 3.26Å; Q216-Y220 WeakPolarHBondContact O-CB 3.48Å; Q216-Y220 PolarHBondContact O-N 2.97Å; Y220-T222 PolarHBondContact O-N 2.85Å
221P73.2Confident86.8Confident98 Ų9850.2 Ų50.264%0.63625%0.249SC*.  trans-61.1137.4177.124.6-33.7000112D223P221-D223 PolarHBondContact O-N 3.13Å
222T78Confident86.7Confident43 Ų4348 Ų4826%0.26424%0.237SC..THydrogen-bonded Turntrans-72.4-9.7-175.7470000114.7I217 Y220 I224 W225 S226 A256I217-T222 HydrophobicContact CB-CG2 4.28Å; I217-T222 HydrophobicContact CD1-CG2 4.5Å; I217-T222 HydrophobicContact CG1-CG2 4.03Å; I217-T222 HydrophobicContact CG2-CG2 3.42Å; I217-T222 VanDerWaalsContact CG2-CG2 3.42Å; Y220-T222 PolarHBondContact O-N 2.85Å; T222-I224 PolarHBondContact O-N 3.06Å; T222-W225 PolarHBondContact O-N 2.81Å; T222-S226 PolarHBondContact O-N 2.66Å; T222-S226 PolarHBondContact O-OG 3.35Å; T222-A256 HydrophobicContact CG2-CB 3.81Å
223D80.7Confident86.5Confident80 Ų8048.7 Ų48.743%0.42824%0.244SC..Hα-helixtrans-65.3-35.4-166.2-16737.6000113.7P221 S226 K227P221-D223 PolarHBondContact O-N 3.13Å; D223-S226 PolarHBondContact O-OG 3.06Å; D223-S226 VanDerWaalsContact O-OG 3.07Å; D223-K227 VanDerWaalsContact CG-NZ 3.29Å; D223-K227 WeakPolarHBondContact O-CB 3.4Å; D223-K227 WeakPolarHBondContact O-CD 3.27Å; D223-K227 VanDerWaalsContact O-CG 3.29Å; D223-K227 WeakPolarHBondContact O-CG 3.06Å; D223-K227 PolarHBondContact O-N 3.28Å; D223-K227 WeakPolarHBondContact OD1-CE 3.46Å; D223-K227 IonicContact OD1-NZ 2.88Å; D223-K227 PolarHBondContact OD1-NZ 2.66Å; D223-K227 IonicContact OD2-NZ 3.22Å; D223-K227 PolarHBondContact OD2-NZ 2.81Å
224I86.3Confident86.3Confident60 Ų6053 Ų5331%0.30828%0.279SS..Hα-helixtrans-66.7-45.4177.9-63.2172.3000110.4Y190 T222 L228Y190-I224 HydrophobicContact CE1-CG2 4.26Å; T222-I224 PolarHBondContact O-N 3.06Å; I224-L228 HydrophobicContact CG2-CD2 4.15Å; I224-L228 WeakPolarHBondContact O-CD2 3.42Å; I224-L228 WeakPolarHBondContact O-CG 3.19Å; I224-L228 PolarHBondContact O-N 2.73Å; I224-L228 VanDerWaalsContact O-N 3.09Å
225W90.5Very high86.2Confident10 Ų1060.3 Ų60.34%0.03831%0.31CS..Hα-helixtrans-70.2-40.3-176.8-63.9107.8000112L176 F179 F212 I213 Q216 T222 K227 L228 L229 L257L176-W225 HydrophobicContact CB-CH2 4.28Å; L176-W225 HydrophobicContact CD2-CH2 4.46Å; L176-W225 HydrophobicContact CD2-CZ3 4.49Å; F179-W225 AromaticContact CD2-CH2 3.9Å; F179-W225 HydrophobicContact CD2-CH2 3.9Å; F179-W225 AromaticContact CD2-CZ3 3.96Å; F179-W225 HydrophobicContact CD2-CZ3 3.96Å; F179-W225 HydrophobicContact CE2-CH2 4.45Å; F179-W225 HydrophobicContact CE2-CZ3 4.19Å; F212-W225 HydrophobicContact CD1-CH2 4.05Å; F212-W225 HydrophobicContact CD1-CZ2 4.19Å; F212-W225 AromaticContact CE1-CH2 3.85Å; F212-W225 HydrophobicContact CE1-CH2 3.85Å; F212-W225 AromaticContact CE1-CZ2 3.8Å; F212-W225 HydrophobicContact CE1-CZ2 3.8Å; I213-W225 HydrophobicContact CD1-CE3 3.86Å; I213-W225 HydrophobicContact CD1-CZ3 3.99Å; I213-W225 HydrophobicContact CG1-CD2 4.14Å; I213-W225 HydrophobicContact CG1-CE3 3.62Å; I213-W225 HydrophobicContact CG1-CH2 4.16Å; I213-W225 HydrophobicContact CG1-CZ3 3.64Å; I213-W225 HydrophobicContact CG2-CD2 4.36Å; I213-W225 HydrophobicContact CG2-CE3 4.48Å; I213-W225 HydrophobicContact CG2-CG 4.43Å; Q216-W225 HydrophobicContact CG-CZ2 4.36Å; T222-W225 PolarHBondContact O-N 2.81Å; W225-K227 PolarHBondContact O-N 3.3Å; W225-L228 HydrophobicContact CD2-CD2 4.34Å; W225-L228 HydrophobicContact CE3-CD1 4.17Å; W225-L228 HydrophobicContact CE3-CD2 3.66Å; W225-L228 HydrophobicContact CE3-CG 4.31Å; W225-L228 HydrophobicContact CZ3-CD2 4Å; W225-L228 WeakPolarHBondContact O-CG 3.19Å; W225-L229 WeakPolarHBondContact O-CB 3.3Å; W225-L229 WeakPolarHBondContact O-CD1 3.5Å; W225-L229 WeakPolarHBondContact O-CG 3.4Å; W225-L229 PolarHBondContact O-N 3.23Å; W225-L229 VanDerWaalsContact O-N 3.08Å; W225-L257 HydrophobicContact CB-CD2 3.45Å; W225-L257 VanDerWaalsContact CB-CD2 3.45Å; W225-L257 HydrophobicContact CG-CD2 4.4Å
226S91.4Very high86.3Confident8 Ų856.3 Ų56.36%0.05629%0.291CS..Hα-helixtrans-63.9-42.3177.361.40000111.9T222 D223 L229 L257T222-S226 PolarHBondContact O-N 2.66Å; T222-S226 PolarHBondContact O-OG 3.35Å; D223-S226 PolarHBondContact O-OG 3.06Å; D223-S226 VanDerWaalsContact O-OG 3.07Å; S226-L229 PolarHBondContact O-N 3.34Å; S226-L257 VanDerWaalsContact CA-O 3.24Å; S226-L257 WeakPolarHBondContact CA-O 3.35Å; S226-L257 WeakPolarHBondContact CB-O 3.47Å
227K90.9Very high86.6Confident77 Ų7756.4 Ų56.434%0.33529%0.292SS..Hα-helixtrans-66.6-44.6178.6-73.3172.4177.5164.30113Y190 D223 W225 L229 L230 H231Y190-K227 HydrophobicContact CD1-CB 3.71Å; Y190-K227 HydrophobicContact CD2-CB 4.38Å; Y190-K227 HydrophobicContact CE1-CB 3.69Å; Y190-K227 HydrophobicContact CE1-CD 4.07Å; Y190-K227 HydrophobicContact CE2-CB 4.37Å; Y190-K227 HydrophobicContact CE2-CD 3.89Å; Y190-K227 HydrophobicContact CG-CB 4.05Å; Y190-K227 WeakPolarHBondContact OH-CD 3.42Å; D223-K227 VanDerWaalsContact CG-NZ 3.29Å; D223-K227 WeakPolarHBondContact O-CB 3.4Å; D223-K227 WeakPolarHBondContact O-CD 3.27Å; D223-K227 VanDerWaalsContact O-CG 3.29Å; D223-K227 WeakPolarHBondContact O-CG 3.06Å; D223-K227 PolarHBondContact O-N 3.28Å; D223-K227 WeakPolarHBondContact OD1-CE 3.46Å; D223-K227 IonicContact OD1-NZ 2.88Å; D223-K227 PolarHBondContact OD1-NZ 2.66Å; D223-K227 IonicContact OD2-NZ 3.22Å; D223-K227 PolarHBondContact OD2-NZ 2.81Å; W225-K227 PolarHBondContact O-N 3.3Å; K227-L229 VanDerWaalsContact C-N 3.33Å; K227-L229 PolarHBondContact O-N 3.19Å; K227-L230 PolarHBondContact O-N 3.2Å; K227-H231 PolarHBondContact O-CD2 3.09Å
228L91.6Very high87Confident0 Ų056.7 Ų56.70%029%0.293CS..Hα-helixtrans-69.5-30.817970.285.3000112.7F179 Y190 L193 G194 V197 I224 W225 L230 H231F179-L228 HydrophobicContact CD2-CD2 4.15Å; F179-L228 HydrophobicContact CE2-CD2 4.35Å; Y190-L228 HydrophobicContact CD1-CB 4.29Å; L193-L228 HydrophobicContact CB-CB 4.1Å; L193-L228 HydrophobicContact CB-CD2 4.13Å; L193-L228 HydrophobicContact CD1-CD2 4.43Å; G194-L228 VanDerWaalsContact CA-O 3.28Å; G194-L228 WeakPolarHBondContact CA-O 3.07Å; V197-L228 HydrophobicContact CB-CD1 4.44Å; V197-L228 HydrophobicContact CG2-CD1 3.88Å; I224-L228 HydrophobicContact CG2-CD2 4.15Å; I224-L228 WeakPolarHBondContact O-CD2 3.42Å; I224-L228 WeakPolarHBondContact O-CG 3.19Å; I224-L228 PolarHBondContact O-N 2.73Å; I224-L228 VanDerWaalsContact O-N 3.09Å; W225-L228 HydrophobicContact CD2-CD2 4.34Å; W225-L228 HydrophobicContact CE3-CD1 4.17Å; W225-L228 HydrophobicContact CE3-CD2 3.66Å; W225-L228 HydrophobicContact CE3-CG 4.31Å; W225-L228 HydrophobicContact CZ3-CD2 4Å; W225-L228 WeakPolarHBondContact O-CG 3.19Å; L228-L230 PolarHBondContact O-N 3.46Å; L228-H231 PolarHBondContact O-N 3.45Å
229L93.6Very high87.8Confident0 Ų055.1 Ų55.10%029%0.287CS..Hα-helixtrans-64.8-29.8-179.9-77.2171.2000111.9W225 S226 K227 H231 T232 L244 L257 F261W225-L229 WeakPolarHBondContact O-CB 3.3Å; W225-L229 WeakPolarHBondContact O-CD1 3.5Å; W225-L229 WeakPolarHBondContact O-CG 3.4Å; W225-L229 PolarHBondContact O-N 3.23Å; W225-L229 VanDerWaalsContact O-N 3.08Å; S226-L229 PolarHBondContact O-N 3.34Å; K227-L229 VanDerWaalsContact C-N 3.33Å; K227-L229 PolarHBondContact O-N 3.19Å; L229-H231 PolarHBondContact O-N 3.45Å; L229-T232 HydrophobicContact CD2-CG2 4.08Å; L229-T232 WeakPolarHBondContact O-CB 3.06Å; L229-T232 WeakPolarHBondContact O-CG2 3.3Å; L229-T232 PolarHBondContact O-N 3.32Å; L229-T232 VanDerWaalsContact O-N 3.08Å; L229-T232 PolarHBondContact O-OG1 3.17Å; L229-L244 HydrophobicContact CD1-CD1 3.98Å; L229-L244 HydrophobicContact CD2-CD1 3.97Å; L229-L257 HydrophobicContact CD1-CB 4.06Å; L229-L257 HydrophobicContact CD1-CD2 3.94Å; L229-L257 HydrophobicContact CD1-CG 4.48Å; L229-F261 HydrophobicContact CB-CE2 3.91Å; L229-F261 HydrophobicContact CB-CZ 4.26Å; L229-F261 WeakPolarHBondContact O-CZ 3.35Å
230L92.8Very high88.6Confident50 Ų5048.7 Ų48.726%0.26226%0.257SS..THydrogen-bonded Turntrans-61.9-23173.7-63.6172.5000113.3K227 L228 F261 I268K227-L230 PolarHBondContact O-N 3.2Å; L228-L230 PolarHBondContact O-N 3.46Å; L230-F261 HydrophobicContact CD2-CD2 3.72Å; L230-F261 HydrophobicContact CD2-CE2 3.78Å; L230-F261 HydrophobicContact CD2-CG 4.23Å; L230-F261 HydrophobicContact CD2-CZ 4.31Å; L230-F261 HydrophobicContact CG-CE2 4.42Å; L230-I268 HydrophobicContact CB-CD1 4.49Å; L230-I268 HydrophobicContact CD2-CD1 4.26Å; L230-I268 HydrophobicContact CD2-CG2 4.39Å
231H91.1Very high89.7Confident51 Ų5142.8 Ų42.824%0.23623%0.234CC..THydrogen-bonded Turntrans-96.19.4178.6-63.5-62.4000113.6Q187 K227 L228 L229 S233Q187-H231 PolarHBondContact NE2-CE1 2.91Å; Q187-H231 VanDerWaalsContact NE2-CE1 3.29Å; Q187-H231 PolarHBondContact NE2-NE2 3.14Å; Q187-H231 VanDerWaalsContact NE2-NE2 3.15Å; K227-H231 PolarHBondContact O-CD2 3.09Å; L228-H231 PolarHBondContact O-N 3.45Å; L229-H231 PolarHBondContact O-N 3.45Å; H231-S233 PolarHBondContact O-N 3.44Å
232T91.5Very high90.8Very high10 Ų1038.6 Ų38.66%0.06121%0.208CC..  trans-6413717354.10000110.9V197 S198 L229V197-T232 HydrophobicContact CG1-CG2 4.42Å; S198-T232 WeakPolarHBondContact OG-CA 3.28Å; S198-T232 WeakPolarHBondContact OG-CB 3.42Å; L229-T232 HydrophobicContact CD2-CG2 4.08Å; L229-T232 WeakPolarHBondContact O-CB 3.06Å; L229-T232 WeakPolarHBondContact O-CG2 3.3Å; L229-T232 PolarHBondContact O-N 3.32Å; L229-T232 VanDerWaalsContact O-N 3.08Å; L229-T232 PolarHBondContact O-OG1 3.17Å
233S90.6Very high91.5Very high26 Ų2637.5 Ų37.518%0.18220%0.202CC..  trans-64.5142.8178.576.70000110.8S198 H231 K235 S236 M237S198-S233 PolarHBondContact OG-N 2.96Å; H231-S233 PolarHBondContact O-N 3.44Å; S233-K235 PolarHBondContact O-N 2.84Å; S233-S236 PolarHBondContact N-OG 3.01Å; S233-S236 PolarHBondContact O-N 2.7Å; S233-S236 PolarHBondContact O-OG 3.28Å; S233-S236 PolarHBondContact OG-N 3.45Å; S233-S236 PolarHBondContact OG-OG 3.49Å; S233-S236 VanDerWaalsContact OG-OG 3.08Å; S233-M237 PolarHBondContact O-N 2.9Å
234A87.9Confident92.2Very high90 Ų9033.8 Ų33.874%0.74418%0.182SC*.Hα-helixtrans-54.9-30.8179.800000113.4
235K90Very high92.6Very high171 Ų17131 Ų3174%0.74317%0.168SC*.Hα-helixtrans-68.7-32.4177.1-64.2177.9-176.5170.80112.9S233S233-K235 PolarHBondContact O-N 2.84Å
236S92.6Very high92.7Very high0 Ų033.5 Ų33.50%018%0.179CC..Hα-helixtrans-94.7-18.4-177.370.20000113.6S198 S233 E238 I239 C240S198-S236 WeakPolarHBondContact CB-OG 2.93Å; S198-S236 PolarHBondContact OG-OG 3.38Å; S233-S236 PolarHBondContact N-OG 3.01Å; S233-S236 PolarHBondContact O-N 2.7Å; S233-S236 PolarHBondContact O-OG 3.28Å; S233-S236 PolarHBondContact OG-N 3.45Å; S233-S236 PolarHBondContact OG-OG 3.49Å; S233-S236 VanDerWaalsContact OG-OG 3.08Å; S236-E238 VanDerWaalsContact C-N 3.29Å; S236-E238 PolarHBondContact O-N 3.47Å; S236-I239 PolarHBondContact O-N 3.3Å; S236-C240 PolarHBondContact O-N 3.07Å
237M93.1Very high92.7Very high21 Ų2135.7 Ų35.710%0.10319%0.188CC..Hα-helixtrans-51.2-46.4-172.3-174.4-176.3-74.100112.3S233 L241 F261 L275S233-M237 PolarHBondContact O-N 2.9Å; M237-L241 HydrophobicContact CG-CD1 3.63Å; M237-L241 HydrophobicContact CG-CG 4.22Å; M237-L241 VanDerWaalsContact O-CB 3.26Å; M237-L241 WeakPolarHBondContact O-CB 3.44Å; M237-L241 VanDerWaalsContact O-CG 3.3Å; M237-L241 WeakPolarHBondContact O-CG 3.28Å; M237-L241 PolarHBondContact O-N 2.76Å; M237-F261 HydrophobicContact CE-CE1 4.39Å; M237-L275 HydrophobicContact CG-CD2 4.1Å
238E94.6Very high92.8Very high26 Ų2632 Ų3212%0.12117%0.173CC..Hα-helixtrans-60.7-49.5176.6177.2173157.300112.2S236 C240 A242 L275 R278 L279 R283S236-E238 VanDerWaalsContact C-N 3.29Å; S236-E238 PolarHBondContact O-N 3.47Å; E238-C240 VanDerWaalsContact C-N 3.34Å; E238-C240 PolarHBondContact O-N 3.4Å; E238-A242 WeakPolarHBondContact O-CB 3.39Å; E238-A242 PolarHBondContact O-N 2.96Å; E238-L275 HydrophobicContact CB-CD1 3.57Å; E238-L275 HydrophobicContact CG-CD1 3.62Å; E238-R278 IonicContact OE1-CZ 3.59Å; E238-R278 IonicContact OE1-NE 2.83Å; E238-R278 VanDerWaalsContact OE2-CD 3.23Å; E238-R278 WeakPolarHBondContact OE2-CD 3.39Å; E238-R278 IonicContact OE2-CZ 2.78Å; E238-R278 IonicContact OE2-NE 2.76Å; E238-R278 PolarHBondContact OE2-NE 2.94Å; E238-R278 IonicContact OE2-NH1 3.66Å; E238-R278 PolarHBondContact OE2-NH1 2.72Å; E238-R278 IonicContact OE2-NH2 2.74Å; E238-L279 HydrophobicContact CG-CD2 4.47Å; E238-R283 IonicContact OE1-CZ 3.1Å; E238-R283 IonicContact OE1-NE 2.64Å; E238-R283 PolarHBondContact OE1-NE 3.23Å; E238-R283 IonicContact OE1-NH2 3.66Å; E238-R283 PolarHBondContact OE1-NH2 3.24Å
239I94.6Very high92.8Very high75 Ų7534.9 Ų34.939%0.38519%0.191SC..Hα-helixtrans-68.3-38.5-173.4-44.5178.5000110.3L202 S206 S236 S243L202-I239 HydrophobicContact CD2-CD1 4.15Å; S206-I239 WeakPolarHBondContact OG-CG2 3.34Å; S236-I239 PolarHBondContact O-N 3.3Å; I239-S243 VanDerWaalsContact O-CB 3.3Å; I239-S243 WeakPolarHBondContact O-CB 3.28Å; I239-S243 PolarHBondContact O-N 2.83Å
240C94.7Very high92.7Very high2 Ų237 Ų371%0.01420%0.204CC..Hα-helixtrans-72.5-51.9177.5-61.10000111.9C201 S236 E238 S243 L244C201-C240 HydrophobicContact CB-CB 4.37Å; C201-C240 WeakPolarHBondContact CB-SG 2.93Å; C201-C240 VanDerWaalsContact SG-CA 3.54Å; C201-C240 WeakPolarHBondContact SG-CB 3.5Å; C201-C240 CovalentContact SG-SG 2.06Å; C201-C240 PolarHBondContact SG-SG 3.13Å; S236-C240 PolarHBondContact O-N 3.07Å; E238-C240 VanDerWaalsContact C-N 3.34Å; E238-C240 PolarHBondContact O-N 3.4Å; C240-S243 PolarHBondContact O-N 3.32Å; C240-L244 WeakPolarHBondContact O-CG 3.34Å; C240-L244 PolarHBondContact O-N 3.28Å
241L95.1Very high92.6Very high0 Ų034.8 Ų34.80%019%0.192CC..Hα-helixtrans-73.9-34-174.4-61.5-175.8000112.7M237 S243 L244 A245 L258 F261 Y272 L275M237-L241 HydrophobicContact CG-CD1 3.63Å; M237-L241 HydrophobicContact CG-CG 4.22Å; M237-L241 VanDerWaalsContact O-CB 3.26Å; M237-L241 WeakPolarHBondContact O-CB 3.44Å; M237-L241 VanDerWaalsContact O-CG 3.3Å; M237-L241 WeakPolarHBondContact O-CG 3.28Å; M237-L241 PolarHBondContact O-N 2.76Å; L241-S243 VanDerWaalsContact C-N 3.32Å; L241-S243 PolarHBondContact O-N 3.42Å; L241-L244 HydrophobicContact CD2-CD1 4.24Å; L241-L244 PolarHBondContact O-N 3Å; L241-A245 VanDerWaalsContact O-CB 3.27Å; L241-A245 WeakPolarHBondContact O-CB 3.47Å; L241-A245 PolarHBondContact O-N 3.4Å; L241-L258 HydrophobicContact CD1-CD2 4.45Å; L241-L258 HydrophobicContact CD2-CD1 4.22Å; L241-L258 HydrophobicContact CD2-CD2 4.4Å; L241-L258 HydrophobicContact CD2-CG 4.39Å; L241-F261 HydrophobicContact CD1-CD1 4.29Å; L241-F261 HydrophobicContact CD1-CE1 3.75Å; L241-F261 HydrophobicContact CD1-CZ 4.11Å; L241-F261 HydrophobicContact CD2-CZ 4.31Å; L241-Y272 HydrophobicContact CD1-CD2 3.99Å; L241-Y272 HydrophobicContact CD1-CE2 4.27Å; L241-L275 HydrophobicContact CB-CD2 3.93Å; L241-L275 HydrophobicContact CD1-CD2 3.87Å; L241-L275 HydrophobicContact CG-CD2 4.42Å
242A94.6Very high92.7Very high10 Ų1036.5 Ų36.58%0.08320%0.201CC..Hα-helixtrans-64.8-39.217500000111.8E238 K246 L279 F285E238-A242 WeakPolarHBondContact O-CB 3.39Å; E238-A242 PolarHBondContact O-N 2.96Å; A242-K246 WeakPolarHBondContact O-CB 3.47Å; A242-K246 PolarHBondContact O-N 3.23Å; A242-L279 HydrophobicContact CB-CD1 4.41Å; A242-L279 HydrophobicContact CB-CD2 3.69Å; A242-F285 HydrophobicContact CB-CE1 4.45Å; A242-F285 HydrophobicContact CB-CZ 4.09Å
243S94Very high92.7Very high20 Ų2038.6 Ų38.614%0.1421%0.209CC..Hα-helixtrans-64.8-46.7175-171.30000110.4S206 S210 I239 C240 L241 A245 K246 E247S206-S243 PolarHBondContact O-OG 3.13Å; S210-S243 WeakPolarHBondContact CB-OG 3.44Å; S210-S243 WeakPolarHBondContact OG-CB 3.48Å; S210-S243 PolarHBondContact OG-OG 3.46Å; I239-S243 VanDerWaalsContact O-CB 3.3Å; I239-S243 WeakPolarHBondContact O-CB 3.28Å; I239-S243 PolarHBondContact O-N 2.83Å; C240-S243 PolarHBondContact O-N 3.32Å; L241-S243 VanDerWaalsContact C-N 3.32Å; L241-S243 PolarHBondContact O-N 3.42Å; S243-A245 PolarHBondContact O-N 3.03Å; S243-K246 PolarHBondContact O-N 3.09Å; S243-E247 WeakPolarHBondContact O-CG 3.27Å; S243-E247 PolarHBondContact O-N 2.93Å
244L94.8Very high92.9Very high3 Ų337.4 Ų37.42%0.01620%0.2CC..Hα-helixtrans-61.1-45175.8-74.7169.7000112.8S210 I213 L229 C240 L241 K246 E247 C248 Y254 L257S210-L244 PolarHBondContact OG-N 3.27Å; I213-L244 HydrophobicContact CB-CD2 4.14Å; I213-L244 HydrophobicContact CD1-CD2 4.3Å; I213-L244 HydrophobicContact CG2-CD2 3.98Å; L229-L244 HydrophobicContact CD1-CD1 3.98Å; L229-L244 HydrophobicContact CD2-CD1 3.97Å; C240-L244 WeakPolarHBondContact O-CG 3.34Å; C240-L244 PolarHBondContact O-N 3.28Å; L241-L244 HydrophobicContact CD2-CD1 4.24Å; L241-L244 PolarHBondContact O-N 3Å; L244-K246 PolarHBondContact O-N 2.75Å; L244-E247 PolarHBondContact O-N 3.44Å; L244-C248 VanDerWaalsContact O-CB 3.28Å; L244-C248 WeakPolarHBondContact O-CB 3.4Å; L244-C248 PolarHBondContact O-N 2.9Å; L244-C248 PolarHBondContact O-SG 2.88Å; L244-Y254 HydrophobicContact CB-CE2 4.38Å; L244-L257 HydrophobicContact CD2-CD1 4.12Å
245A94.8Very high93.2Very high0 Ų034.1 Ų34.10%017%0.169CC..Hα-helixtrans-61-34.1177.900000111.8L241 S243 Y254 N289 T290 N293 V294L241-A245 VanDerWaalsContact O-CB 3.27Å; L241-A245 WeakPolarHBondContact O-CB 3.47Å; L241-A245 PolarHBondContact O-N 3.4Å; S243-A245 PolarHBondContact O-N 3.03Å; A245-Y254 VanDerWaalsContact CA-CE2 3.41Å; A245-Y254 HydrophobicContact CB-CD2 4.27Å; A245-Y254 HydrophobicContact CB-CE2 3.55Å; A245-N289 CarbonylContact O-C 3.56Å; A245-T290 HydrophobicContact CB-CG2 3.91Å; A245-T290 WeakPolarHBondContact O-CA 3.36Å; A245-T290 PolarHBondContact O-N 2.64Å; A245-N293 PolarHBondContact O-ND2 3.41Å; A245-V294 HydrophobicContact CB-CG2 4.31Å
246K93.6Very high93.3Very high63 Ų6327.1 Ų27.127%0.27414%0.143SC..Hα-helixtrans-75.1-45.7179.2-174.8-175.4167.2-116.10112.7A242 S243 L244 F285 N289 T290A242-K246 WeakPolarHBondContact O-CB 3.47Å; A242-K246 PolarHBondContact O-N 3.23Å; S243-K246 PolarHBondContact O-N 3.09Å; L244-K246 PolarHBondContact O-N 2.75Å; K246-F285 HydrophobicContact CD-CD1 4.41Å; K246-N289 PolarHBondContact O-N 3.24Å; K246-T290 WeakPolarHBondContact CA-OG1 3.37Å
247E91.3Very high93.4Very high54 Ų5427.1 Ų27.125%0.25214%0.143SC..Hα-helixtrans-89.9-15.9-170.9-55.5-57.7148.400113.3S243 L244 P249S243-E247 WeakPolarHBondContact O-CG 3.27Å; S243-E247 PolarHBondContact O-N 2.93Å; L244-E247 PolarHBondContact O-N 3.44Å; E247-P249 WeakPolarHBondContact O-CD 3.29Å
248C93Very high93.5Very high1 Ų126.1 Ų26.11%0.00714%0.138CC..  trans-62.9124174.7-79.40000110.7L244 T250 Y254 N289 N293L244-C248 VanDerWaalsContact O-CB 3.28Å; L244-C248 WeakPolarHBondContact O-CB 3.4Å; L244-C248 PolarHBondContact O-N 2.9Å; L244-C248 PolarHBondContact O-SG 2.88Å; C248-T250 PolarHBondContact O-N 3.49Å; C248-Y254 HydrophobicContact CB-CD2 4.48Å; C248-N289 PolarHBondContact O-ND2 3.03Å; C248-N293 WeakPolarHBondContact CB-ND2 3.34Å; C248-N293 PolarHBondContact O-ND2 3.3Å
249P90.4Very high93.3Very high59 Ų5927.3 Ų27.338%0.38315%0.149SC..SBendtrans-71.2-34.3-17626.4-34000112V214 E247 K253 N289V214-P249 HydrophobicContact CG1-CG 4.25Å; E247-P249 WeakPolarHBondContact O-CD 3.29Å; P249-K253 HydrophobicContact CG-CD 4.06Å; P249-N289 PolarHBondContact O-ND2 3.24Å
250T91Very high93.1Very high44 Ų4424.8 Ų24.827%0.2714%0.142SC..SBendtrans-129.2140.6-175.459.10000110.5C248 Q252 K253 Y254C248-T250 PolarHBondContact O-N 3.49Å; T250-Q252 PolarHBondContact O-N 2.89Å; T250-K253 PolarHBondContact O-N 3.47Å; T250-K253 VanDerWaalsContact O-N 3.17Å; T250-K253 WeakPolarHBondContact OG1-CD 3.35Å; T250-K253 VanDerWaalsContact OG1-CG 3.28Å; T250-K253 WeakPolarHBondContact OG1-CG 3.45Å; T250-Y254 PolarHBondContact O-N 3.32Å
251P92.1Very high93Very high4 Ų424.8 Ų24.83%0.02614%0.142CC..Hα-helixtrans-62.3-27.9178-25.134.5000114.7K253 Y254 Y255 N293 N296 L440P251-K253 VanDerWaalsContact C-N 3.3Å; P251-K253 PolarHBondContact O-N 3.12Å; P251-Y254 PolarHBondContact O-N 2.93Å; P251-Y255 WeakPolarHBondContact O-CB 3.16Å; P251-Y255 PolarHBondContact O-N 2.85Å; P251-N293 WeakPolarHBondContact CA-OD1 3.42Å; P251-N293 WeakPolarHBondContact CD-OD1 3.39Å; P251-N293 WeakPolarHBondContact CG-OD1 3.48Å; P251-N296 HydrophobicContact CB-CB 3.6Å; P251-N296 WeakPolarHBondContact CB-OD1 3.5Å; P251-N296 HydrophobicContact CG-CB 3.86Å; P251-L440 HydrophobicContact CG-CD1 3.57Å; P251-L440 HydrophobicContact CG-CD2 4.43Å
252Q92Very high92.9Very high88 Ų8825.5 Ų25.541%0.41115%0.145SC..Hα-helixtrans-56-45.9175.4-68.272.9700111T250 Y255 A256 M300T250-Q252 PolarHBondContact O-N 2.89Å; Q252-Y255 PolarHBondContact O-N 2.79Å; Q252-A256 WeakPolarHBondContact O-CB 3.49Å; Q252-A256 PolarHBondContact O-N 3.21Å; Q252-M300 HydrophobicContact CB-CE 4.18Å; Q252-M300 HydrophobicContact CG-CE 3.42Å; Q252-M300 VanDerWaalsContact CG-CE 3.42Å; Q252-M300 HydrophobicContact CG-SD 4.28Å
253K91.6Very high92.6Very high54 Ų5430.6 Ų30.624%0.23517%0.167CC..Hα-helixtrans-67.3-42.5178.4-70.4176-175.7171.10111.2I217 P249 T250 P251 A256 L257I217-K253 HydrophobicContact CG2-CB 4.42Å; I217-K253 HydrophobicContact CG2-CD 4.48Å; I217-K253 HydrophobicContact CG2-CG 4.12Å; P249-K253 HydrophobicContact CG-CD 4.06Å; T250-K253 PolarHBondContact O-N 3.47Å; T250-K253 VanDerWaalsContact O-N 3.17Å; T250-K253 WeakPolarHBondContact OG1-CD 3.35Å; T250-K253 VanDerWaalsContact OG1-CG 3.28Å; T250-K253 WeakPolarHBondContact OG1-CG 3.45Å; P251-K253 VanDerWaalsContact C-N 3.3Å; P251-K253 PolarHBondContact O-N 3.12Å; K253-A256 PolarHBondContact O-N 2.94Å; K253-L257 PolarHBondContact O-N 2.91Å; K253-L257 VanDerWaalsContact O-N 3.13Å
254Y95Very high92.2Very high0 Ų032.9 Ų32.90%018%0.18CC..Hα-helixtrans-62.4-45.3176.2-178-108.5000111.5L244 A245 C248 T250 P251 A256 L257 L258 Y272 N293 V294L244-Y254 HydrophobicContact CB-CE2 4.38Å; A245-Y254 VanDerWaalsContact CA-CE2 3.41Å; A245-Y254 HydrophobicContact CB-CD2 4.27Å; A245-Y254 HydrophobicContact CB-CE2 3.55Å; C248-Y254 HydrophobicContact CB-CD2 4.48Å; T250-Y254 PolarHBondContact O-N 3.32Å; P251-Y254 PolarHBondContact O-N 2.93Å; Y254-A256 PolarHBondContact O-N 3.2Å; Y254-L257 WeakPolarHBondContact O-CB 3.32Å; Y254-L257 PolarHBondContact O-N 3.45Å; Y254-L258 HydrophobicContact CD2-CD1 3.91Å; Y254-L258 HydrophobicContact CE1-CD2 3.99Å; Y254-L258 HydrophobicContact CE2-CD1 3.58Å; Y254-L258 HydrophobicContact CE2-CD2 3.99Å; Y254-L258 HydrophobicContact CE2-CG 4.43Å; Y254-L258 VanDerWaalsContact CZ-CD2 3.48Å; Y254-L258 WeakPolarHBondContact O-CD1 3.38Å; Y254-L258 PolarHBondContact O-N 3.21Å; Y254-L258 VanDerWaalsContact O-N 3.07Å; Y254-L258 WeakPolarHBondContact OH-CD2 3.44Å; Y254-Y272 WeakPolarHBondContact CE1-OH 3.31Å; Y254-Y272 PolarHBondContact OH-OH 3.11Å; Y254-N293 HydrophobicContact CD1-CB 3.91Å; Y254-N293 WeakPolarHBondContact CD1-O 3.37Å; Y254-N293 HydrophobicContact CG-CB 4.03Å; Y254-V294 HydrophobicContact CE1-CG2 3.97Å
255Y94.8Very high91.7Very high21 Ų2137.5 Ų37.58%0.08221%0.213CC..Hα-helixtrans-60.1-44.3174.1172.9-98.2000112.3P251 Q252 L257 L258 S259 F262 S297 M300 A301 K304P251-Y255 WeakPolarHBondContact O-CB 3.16Å; P251-Y255 PolarHBondContact O-N 2.85Å; Q252-Y255 PolarHBondContact O-N 2.79Å; Y255-L257 VanDerWaalsContact C-N 3.25Å; Y255-L257 PolarHBondContact O-N 3.42Å; Y255-L258 CarbonylContact O-C 3.46Å; Y255-L258 PolarHBondContact O-N 3.44Å; Y255-L258 VanDerWaalsContact O-N 3.08Å; Y255-S259 WeakPolarHBondContact O-CA 3.28Å; Y255-S259 PolarHBondContact O-N 3.12Å; Y255-F262 HydrophobicContact CD2-CD2 4.05Å; Y255-F262 AromaticContact CD2-CE2 3.62Å; Y255-F262 HydrophobicContact CD2-CE2 3.62Å; Y255-F262 HydrophobicContact CD2-CZ 4.26Å; Y255-F262 AromaticContact CE2-CD2 3.8Å; Y255-F262 HydrophobicContact CE2-CD2 3.8Å; Y255-F262 AromaticContact CE2-CE2 3.88Å; Y255-F262 HydrophobicContact CE2-CE2 3.88Å; Y255-S297 WeakPolarHBondContact CD2-O 3.41Å; Y255-M300 HydrophobicContact CD1-CB 3.99Å; Y255-M300 HydrophobicContact CD1-SD 4.05Å; Y255-M300 HydrophobicContact CD2-CB 3.7Å; Y255-M300 HydrophobicContact CE1-CB 4.25Å; Y255-M300 HydrophobicContact CE2-CB 3.95Å; Y255-M300 HydrophobicContact CG-CB 3.71Å; Y255-M300 HydrophobicContact CG-CG 4.44Å; Y255-M300 HydrophobicContact CG-SD 3.92Å; Y255-A301 HydrophobicContact CE2-CB 3.81Å; Y255-K304 HydrophobicContact CE1-CD 3.98Å; Y255-K304 VanDerWaalsContact CE1-CE 3.45Å; Y255-K304 VanDerWaalsContact OH-CD 3.3Å; Y255-K304 WeakPolarHBondContact OH-CD 3.31Å
256A92.6Very high91.4Very high24 Ų2438.5 Ų38.520%0.19822%0.22CC..Hα-helixtrans-60.9-35.7179.700000112.5T222 Q252 K253 Y254 S259T222-A256 HydrophobicContact CG2-CB 3.81Å; Q252-A256 WeakPolarHBondContact O-CB 3.49Å; Q252-A256 PolarHBondContact O-N 3.21Å; K253-A256 PolarHBondContact O-N 2.94Å; Y254-A256 PolarHBondContact O-N 3.2Å; A256-S259 PolarHBondContact O-OG 3.41Å
257L93.8Very high91.3Very high0 Ų040 Ų400%024%0.236CC..Hα-helixtrans-68.9-38.4172.7-77.3174.4000113.2I213 I217 W225 S226 L229 L244 K253 Y254 Y255I213-L257 HydrophobicContact CG2-CD1 3.84Å; I213-L257 HydrophobicContact CG2-CD2 3.9Å; I213-L257 HydrophobicContact CG2-CG 4.49Å; I217-L257 HydrophobicContact CD1-CD1 3.51Å; I217-L257 HydrophobicContact CD1-CD2 3.27Å; I217-L257 HydrophobicContact CD1-CG 3.42Å; I217-L257 VanDerWaalsContact CD1-CG 3.42Å; I217-L257 HydrophobicContact CG1-CD2 4.34Å; W225-L257 HydrophobicContact CB-CD2 3.45Å; W225-L257 VanDerWaalsContact CB-CD2 3.45Å; W225-L257 HydrophobicContact CG-CD2 4.4Å; S226-L257 VanDerWaalsContact CA-O 3.24Å; S226-L257 WeakPolarHBondContact CA-O 3.35Å; S226-L257 WeakPolarHBondContact CB-O 3.47Å; L229-L257 HydrophobicContact CD1-CB 4.06Å; L229-L257 HydrophobicContact CD1-CD2 3.94Å; L229-L257 HydrophobicContact CD1-CG 4.48Å; L244-L257 HydrophobicContact CD2-CD1 4.12Å; K253-L257 PolarHBondContact O-N 2.91Å; K253-L257 VanDerWaalsContact O-N 3.13Å; Y254-L257 WeakPolarHBondContact O-CB 3.32Å; Y254-L257 PolarHBondContact O-N 3.45Å; Y255-L257 VanDerWaalsContact C-N 3.25Å; Y255-L257 PolarHBondContact O-N 3.42Å
258L94.4Very high91.3Very high0 Ų039.5 Ų39.50%023%0.234CC..Hα-helixtrans-98.711.9-174-84.177.6000113.4L241 Y254 Y255 G260 F261 F262 Y272L241-L258 HydrophobicContact CD1-CD2 4.45Å; L241-L258 HydrophobicContact CD2-CD1 4.22Å; L241-L258 HydrophobicContact CD2-CD2 4.4Å; L241-L258 HydrophobicContact CD2-CG 4.39Å; Y254-L258 HydrophobicContact CD2-CD1 3.91Å; Y254-L258 HydrophobicContact CE1-CD2 3.99Å; Y254-L258 HydrophobicContact CE2-CD1 3.58Å; Y254-L258 HydrophobicContact CE2-CD2 3.99Å; Y254-L258 HydrophobicContact CE2-CG 4.43Å; Y254-L258 VanDerWaalsContact CZ-CD2 3.48Å; Y254-L258 WeakPolarHBondContact O-CD1 3.38Å; Y254-L258 PolarHBondContact O-N 3.21Å; Y254-L258 VanDerWaalsContact O-N 3.07Å; Y254-L258 WeakPolarHBondContact OH-CD2 3.44Å; Y255-L258 CarbonylContact O-C 3.46Å; Y255-L258 PolarHBondContact O-N 3.44Å; Y255-L258 VanDerWaalsContact O-N 3.08Å; L258-G260 VanDerWaalsContact C-N 3.25Å; L258-G260 PolarHBondContact O-N 3.49Å; L258-G260 VanDerWaalsContact O-N 3.11Å; L258-F261 HydrophobicContact CB-CB 4.36Å; L258-F261 HydrophobicContact CB-CD2 4.08Å; L258-F261 HydrophobicContact CB-CG 4.47Å; L258-F261 HydrophobicContact CG-CD2 3.94Å; L258-F261 HydrophobicContact CG-CE2 4.35Å; L258-F261 HydrophobicContact CG-CG 4.34Å; L258-F261 WeakPolarHBondContact O-CA 3.41Å; L258-F261 VanDerWaalsContact O-CB 3.3Å; L258-F261 WeakPolarHBondContact O-CB 3.27Å; L258-F261 PolarHBondContact O-N 2.88Å; L258-F262 HydrophobicContact CB-CE2 3.82Å; L258-F262 HydrophobicContact CB-CZ 4.38Å; L258-F262 WeakPolarHBondContact O-CD2 3.38Å; L258-F262 VanDerWaalsContact O-CE2 3.27Å; L258-F262 WeakPolarHBondContact O-CE2 3.22Å; L258-Y272 HydrophobicContact CD2-CD2 4.21Å; L258-Y272 HydrophobicContact CD2-CE1 4.35Å; L258-Y272 HydrophobicContact CD2-CE2 3.42Å; L258-Y272 VanDerWaalsContact CD2-CE2 3.42Å; L258-Y272 VanDerWaalsContact CD2-CZ 3.5Å; L258-Y272 WeakPolarHBondContact CD2-OH 3.36Å
259S90.8Very high91.4Very high51 Ų5139.4 Ų39.436%0.35723%0.234SC..G310 helixtrans-51.9-41.7-173.8570000113.4Y255 A256 F261 F262Y255-S259 WeakPolarHBondContact O-CA 3.28Å; Y255-S259 PolarHBondContact O-N 3.12Å; A256-S259 PolarHBondContact O-OG 3.41Å; S259-F261 VanDerWaalsContact C-N 3.3Å; S259-F261 PolarHBondContact O-N 3.17Å; S259-F262 PolarHBondContact O-N 2.92Å
260G90.1Very high91.5Very high23 Ų2339.7 Ų39.724%0.23723%0.232CC..G310 helixtrans-73-13.5176.500000115.4L258 F262L258-G260 VanDerWaalsContact C-N 3.25Å; L258-G260 PolarHBondContact O-N 3.49Å; L258-G260 VanDerWaalsContact O-N 3.11Å; G260-F262 VanDerWaalsContact C-N 3.3Å
261F93.3Very high91.6Very high1 Ų139.1 Ų39.10%0.00423%0.23CC..G310 helixtrans-78.5-15.8176.8-72.7-102.7000112.6L229 L230 M237 L241 L258 S259 E263 I268 F269 Y272L229-F261 HydrophobicContact CB-CE2 3.91Å; L229-F261 HydrophobicContact CB-CZ 4.26Å; L229-F261 WeakPolarHBondContact O-CZ 3.35Å; L230-F261 HydrophobicContact CD2-CD2 3.72Å; L230-F261 HydrophobicContact CD2-CE2 3.78Å; L230-F261 HydrophobicContact CD2-CG 4.23Å; L230-F261 HydrophobicContact CD2-CZ 4.31Å; L230-F261 HydrophobicContact CG-CE2 4.42Å; M237-F261 HydrophobicContact CE-CE1 4.39Å; L241-F261 HydrophobicContact CD1-CD1 4.29Å; L241-F261 HydrophobicContact CD1-CE1 3.75Å; L241-F261 HydrophobicContact CD1-CZ 4.11Å; L241-F261 HydrophobicContact CD2-CZ 4.31Å; L258-F261 HydrophobicContact CB-CB 4.36Å; L258-F261 HydrophobicContact CB-CD2 4.08Å; L258-F261 HydrophobicContact CB-CG 4.47Å; L258-F261 HydrophobicContact CG-CD2 3.94Å; L258-F261 HydrophobicContact CG-CE2 4.35Å; L258-F261 HydrophobicContact CG-CG 4.34Å; L258-F261 WeakPolarHBondContact O-CA 3.41Å; L258-F261 VanDerWaalsContact O-CB 3.3Å; L258-F261 WeakPolarHBondContact O-CB 3.27Å; L258-F261 PolarHBondContact O-N 2.88Å; S259-F261 VanDerWaalsContact C-N 3.3Å; S259-F261 PolarHBondContact O-N 3.17Å; F261-E263 VanDerWaalsContact C-N 3.34Å; F261-I268 HydrophobicContact CD1-CG2 3.42Å; F261-I268 VanDerWaalsContact CD1-CG2 3.42Å; F261-I268 HydrophobicContact CE1-CG2 3.72Å; F261-I268 HydrophobicContact CG-CG2 4.12Å; F261-F269 WeakPolarHBondContact O-CA 3.22Å; F261-F269 WeakPolarHBondContact O-CD2 3.25Å; F261-Y272 HydrophobicContact CB-CD1 4.4Å; F261-Y272 HydrophobicContact CB-CG 4.39Å; F261-Y272 HydrophobicContact CD1-CD2 4.42Å; F261-Y272 HydrophobicContact CD1-CG 4.36Å
262F92.4Very high91.8Very high16 Ų1639 Ų397%0.0723%0.229CC..G310 helixtrans-89.76.9-177.4-61.5-76.2000113.9Y255 L258 S259 G260 T264 Y272 S297 F298 A301Y255-F262 HydrophobicContact CD2-CD2 4.05Å; Y255-F262 AromaticContact CD2-CE2 3.62Å; Y255-F262 HydrophobicContact CD2-CE2 3.62Å; Y255-F262 HydrophobicContact CD2-CZ 4.26Å; Y255-F262 AromaticContact CE2-CD2 3.8Å; Y255-F262 HydrophobicContact CE2-CD2 3.8Å; Y255-F262 AromaticContact CE2-CE2 3.88Å; Y255-F262 HydrophobicContact CE2-CE2 3.88Å; L258-F262 HydrophobicContact CB-CE2 3.82Å; L258-F262 HydrophobicContact CB-CZ 4.38Å; L258-F262 WeakPolarHBondContact O-CD2 3.38Å; L258-F262 VanDerWaalsContact O-CE2 3.27Å; L258-F262 WeakPolarHBondContact O-CE2 3.22Å; S259-F262 PolarHBondContact O-N 2.92Å; G260-F262 VanDerWaalsContact C-N 3.3Å; F262-T264 PolarHBondContact O-N 3.28Å; F262-T264 VanDerWaalsContact O-N 3.14Å; F262-Y272 AromaticContact CE1-CE1 3.83Å; F262-Y272 HydrophobicContact CE1-CE1 3.83Å; F262-Y272 HydrophobicContact CZ-CE1 4.1Å; F262-S297 WeakPolarHBondContact CZ-OG 3.35Å; F262-F298 AromaticContact CD1-CD1 3.76Å; F262-F298 HydrophobicContact CD1-CD1 3.76Å; F262-F298 AromaticContact CD1-CE1 3.8Å; F262-F298 HydrophobicContact CD1-CE1 3.8Å; F262-F298 AromaticContact CE1-CD1 3.48Å; F262-F298 HydrophobicContact CE1-CD1 3.48Å; F262-F298 VanDerWaalsContact CE1-CD1 3.48Å; F262-F298 AromaticContact CE1-CE1 3.57Å; F262-F298 HydrophobicContact CE1-CE1 3.57Å; F262-F298 AromaticContact CE1-CG 3.99Å; F262-F298 HydrophobicContact CE1-CG 3.99Å; F262-F298 HydrophobicContact CE1-CZ 4.16Å; F262-A301 HydrophobicContact CB-CB 3.76Å; F262-A301 HydrophobicContact CD1-CB 3.53Å; F262-A301 HydrophobicContact CD2-CB 4.06Å; F262-A301 HydrophobicContact CE1-CB 4.13Å; F262-A301 HydrophobicContact CG-CB 3.5Å
263E89.1Confident92Very high117 Ų11735.2 Ų35.255%0.54721%0.211SC..  trans-74.9101.8175.9-169.8-176169.300110.9F261 S265 S266 F269F261-E263 VanDerWaalsContact C-N 3.34Å; E263-S265 WeakPolarHBondContact CG-OG 3.47Å; E263-S265 PolarHBondContact O-N 3.36Å; E263-S265 VanDerWaalsContact O-N 3.07Å; E263-S265 PolarHBondContact OE1-OG 3.17Å; E263-S265 VanDerWaalsContact OE1-OG 3.04Å; E263-S266 WeakPolarHBondContact O-CB 3.44Å; E263-S266 PolarHBondContact O-N 3.26Å; E263-F269 VanDerWaalsContact O-CB 3.28Å; E263-F269 WeakPolarHBondContact O-CB 3.34Å
264T84.9Confident92.1Very high67 Ų6740.5 Ų40.541%0.41123%0.23SC..THydrogen-bonded Turntrans-58.5-24.6-173.2-430000114.5F262 S266 F269F262-T264 PolarHBondContact O-N 3.28Å; F262-T264 VanDerWaalsContact O-N 3.14Å; T264-S266 VanDerWaalsContact C-N 3.3Å; T264-F269 HydrophobicContact CG2-CD1 4.35Å; T264-F269 HydrophobicContact CG2-CE1 4.22Å
265S85.8Confident92.2Very high101 Ų10141 Ų4171%0.70623%0.233SC*.THydrogen-bonded Turntrans-75.2-15175.632.30000114E263E263-S265 WeakPolarHBondContact CG-OG 3.47Å; E263-S265 PolarHBondContact O-N 3.36Å; E263-S265 VanDerWaalsContact O-N 3.07Å; E263-S265 PolarHBondContact OE1-OG 3.17Å; E263-S265 VanDerWaalsContact OE1-OG 3.04Å
266S88.4Confident92.3Very high20 Ų2040 Ų4014%0.1423%0.229CC..SBendtrans-90.8139.9-172.7179.60000112.3E263 T264 I268 F269E263-S266 WeakPolarHBondContact O-CB 3.44Å; E263-S266 PolarHBondContact O-N 3.26Å; T264-S266 VanDerWaalsContact C-N 3.3Å; S266-I268 PolarHBondContact O-N 3.07Å; S266-I268 VanDerWaalsContact O-N 3.09Å; S266-I268 WeakPolarHBondContact OG-CB 3.32Å; S266-I268 PolarHBondContact OG-N 2.98Å; S266-F269 WeakPolarHBondContact O-CB 3.44Å; S266-F269 PolarHBondContact O-N 2.73Å
267P90.2Very high92.4Very high94 Ų9446.4 Ų46.461%0.6125%0.248SC*.Hα-helixtrans-62.9-16.4171.128.4-36.3000113S271P267-S271 PolarHBondContact O-N 3.42Å; P267-S271 VanDerWaalsContact O-N 3.17Å; P267-S271 PolarHBondContact O-OG 2.83Å
268I92.1Very high92.5Very high44 Ų4451.8 Ų51.823%0.22627%0.268CS..Hα-helixtrans-66.3-40.3173.7-60.6174.3000110L230 F261 S266 D270 S271 Y272L230-I268 HydrophobicContact CB-CD1 4.49Å; L230-I268 HydrophobicContact CD2-CD1 4.26Å; L230-I268 HydrophobicContact CD2-CG2 4.39Å; F261-I268 HydrophobicContact CD1-CG2 3.42Å; F261-I268 VanDerWaalsContact CD1-CG2 3.42Å; F261-I268 HydrophobicContact CE1-CG2 3.72Å; F261-I268 HydrophobicContact CG-CG2 4.12Å; S266-I268 PolarHBondContact O-N 3.07Å; S266-I268 VanDerWaalsContact O-N 3.09Å; S266-I268 WeakPolarHBondContact OG-CB 3.32Å; S266-I268 PolarHBondContact OG-N 2.98Å; I268-D270 PolarHBondContact O-N 3.29Å; I268-S271 WeakPolarHBondContact O-CB 3.49Å; I268-S271 PolarHBondContact O-N 2.95Å; I268-Y272 WeakPolarHBondContact O-CB 3.33Å; I268-Y272 PolarHBondContact O-N 2.97Å
269F94.4Very high92.6Very high0 Ų051.8 Ų51.80%027%0.268CS..Hα-helixtrans-60.5-47.4177.5177.4-97.4000111.4F261 E263 T264 S266 S271 Y272 M273 F298 L314 R317F261-F269 WeakPolarHBondContact O-CA 3.22Å; F261-F269 WeakPolarHBondContact O-CD2 3.25Å; E263-F269 VanDerWaalsContact O-CB 3.28Å; E263-F269 WeakPolarHBondContact O-CB 3.34Å; T264-F269 HydrophobicContact CG2-CD1 4.35Å; T264-F269 HydrophobicContact CG2-CE1 4.22Å; S266-F269 WeakPolarHBondContact O-CB 3.44Å; S266-F269 PolarHBondContact O-N 2.73Å; F269-S271 VanDerWaalsContact C-N 3.25Å; F269-S271 PolarHBondContact O-N 3.5Å; F269-Y272 PolarHBondContact O-N 2.91Å; F269-Y272 VanDerWaalsContact O-N 3.12Å; F269-M273 HydrophobicContact CD1-CG 4.09Å; F269-M273 HydrophobicContact CE1-CG 3.6Å; F269-M273 HydrophobicContact CE1-SD 4.38Å; F269-M273 HydrophobicContact CE2-CG 4.19Å; F269-M273 HydrophobicContact CE2-SD 4.36Å; F269-M273 HydrophobicContact CZ-CG 3.65Å; F269-M273 HydrophobicContact CZ-SD 3.88Å; F269-M273 WeakPolarHBondContact O-CG 3.48Å; F269-M273 PolarHBondContact O-N 3.25Å; F269-F298 HydrophobicContact CE2-CE1 4.18Å; F269-L314 HydrophobicContact CE2-CD1 3.66Å; F269-L314 HydrophobicContact CZ-CD1 3.47Å; F269-L314 VanDerWaalsContact CZ-CD1 3.47Å; F269-R317 VanDerWaalsContact CE1-NH1 3.35Å
270D93.4Very high92.8Very high64 Ų6449.4 Ų49.434%0.34225%0.251SS..Hα-helixtrans-63-33.5177.1-68.2-29.2000112.6I268 R274 R317I268-D270 PolarHBondContact O-N 3.29Å; D270-R274 VanDerWaalsContact O-CG 3.31Å; D270-R274 WeakPolarHBondContact O-CG 3.4Å; D270-R274 PolarHBondContact O-N 3.33Å; D270-R274 VanDerWaalsContact O-N 3.15Å; D270-R274 PolarHBondContact O-NE 3.15Å; D270-R274 VanDerWaalsContact O-NE 3.16Å; D270-R317 IonicContact OD1-CZ 3.32Å; D270-R317 IonicContact OD1-NH1 2.69Å; D270-R317 PolarHBondContact OD1-NH1 3.38Å; D270-R317 IonicContact OD1-NH2 2.63Å; D270-R317 PolarHBondContact OD1-NH2 3.1Å
271S93.3Very high93Very high33 Ų3350.4 Ų50.423%0.23125%0.248CC..Hα-helixtrans-69.8-40175-56.80000111.5P267 I268 F269 R274 L275P267-S271 PolarHBondContact O-N 3.42Å; P267-S271 VanDerWaalsContact O-N 3.17Å; P267-S271 PolarHBondContact O-OG 2.83Å; I268-S271 WeakPolarHBondContact O-CB 3.49Å; I268-S271 PolarHBondContact O-N 2.95Å; F269-S271 VanDerWaalsContact C-N 3.25Å; F269-S271 PolarHBondContact O-N 3.5Å; S271-R274 PolarHBondContact O-N 3.5Å; S271-R274 PolarHBondContact OG-NH2 3.23Å; S271-L275 PolarHBondContact O-N 2.98Å
272Y95.6Very high93Very high0 Ų056.3 Ų56.30%028%0.279CS..Hα-helixtrans-67.2-43.2174.9-178.2-119.2000112.3L241 Y254 L258 F261 F262 I268 F269 R274 L275 C276 F298L241-Y272 HydrophobicContact CD1-CD2 3.99Å; L241-Y272 HydrophobicContact CD1-CE2 4.27Å; Y254-Y272 WeakPolarHBondContact CE1-OH 3.31Å; Y254-Y272 PolarHBondContact OH-OH 3.11Å; L258-Y272 HydrophobicContact CD2-CD2 4.21Å; L258-Y272 HydrophobicContact CD2-CE1 4.35Å; L258-Y272 HydrophobicContact CD2-CE2 3.42Å; L258-Y272 VanDerWaalsContact CD2-CE2 3.42Å; L258-Y272 VanDerWaalsContact CD2-CZ 3.5Å; L258-Y272 WeakPolarHBondContact CD2-OH 3.36Å; F261-Y272 HydrophobicContact CB-CD1 4.4Å; F261-Y272 HydrophobicContact CB-CG 4.39Å; F261-Y272 HydrophobicContact CD1-CD2 4.42Å; F261-Y272 HydrophobicContact CD1-CG 4.36Å; F262-Y272 AromaticContact CE1-CE1 3.83Å; F262-Y272 HydrophobicContact CE1-CE1 3.83Å; F262-Y272 HydrophobicContact CZ-CE1 4.1Å; I268-Y272 WeakPolarHBondContact O-CB 3.33Å; I268-Y272 PolarHBondContact O-N 2.97Å; F269-Y272 PolarHBondContact O-N 2.91Å; F269-Y272 VanDerWaalsContact O-N 3.12Å; Y272-R274 VanDerWaalsContact C-N 3.33Å; Y272-R274 PolarHBondContact O-N 3.2Å; Y272-L275 HydrophobicContact CD2-CD2 4.45Å; Y272-L275 CarbonylContact O-C 3.44Å; Y272-L275 WeakPolarHBondContact O-CA 3.38Å; Y272-L275 WeakPolarHBondContact O-CB 3.26Å; Y272-L275 PolarHBondContact O-N 3.39Å; Y272-C276 PolarHBondContact O-N 3.31Å; Y272-C276 PolarHBondContact O-SG 3.45Å; Y272-C276 VanDerWaalsContact O-SG 3.37Å; Y272-F298 HydrophobicContact CD1-CE1 4.48Å; Y272-F298 AromaticContact CD1-CZ 3.99Å; Y272-F298 HydrophobicContact CD1-CZ 3.99Å; Y272-F298 HydrophobicContact CE1-CE1 4.15Å; Y272-F298 HydrophobicContact CE1-CE2 4.08Å; Y272-F298 AromaticContact CE1-CZ 3.54Å; Y272-F298 HydrophobicContact CE1-CZ 3.54Å
273M95.7Very high93Very high9 Ų960.9 Ų60.94%0.04430%0.295CS..Hα-helixtrans-58.4-44.4174.4-74.8-62.6-68.900111.9F269 L275 C276 R277 F298 R317 D321 L322F269-M273 HydrophobicContact CD1-CG 4.09Å; F269-M273 HydrophobicContact CE1-CG 3.6Å; F269-M273 HydrophobicContact CE1-SD 4.38Å; F269-M273 HydrophobicContact CE2-CG 4.19Å; F269-M273 HydrophobicContact CE2-SD 4.36Å; F269-M273 HydrophobicContact CZ-CG 3.65Å; F269-M273 HydrophobicContact CZ-SD 3.88Å; F269-M273 WeakPolarHBondContact O-CG 3.48Å; F269-M273 PolarHBondContact O-N 3.25Å; M273-L275 VanDerWaalsContact C-N 3.31Å; M273-L275 PolarHBondContact O-N 3.47Å; M273-C276 PolarHBondContact O-N 3.41Å; M273-R277 PolarHBondContact O-N 3.29Å; M273-F298 HydrophobicContact SD-CE1 3.75Å; M273-F298 HydrophobicContact SD-CZ 3.52Å; M273-F298 VanDerWaalsContact SD-CZ 3.52Å; M273-R317 HydrophobicContact CE-CG 4.41Å; M273-D321 HydrophobicContact CE-CB 3.63Å; M273-L322 HydrophobicContact CE-CD1 3.93Å; M273-L322 HydrophobicContact CE-CD2 4.43Å; M273-L322 HydrophobicContact CE-CG 3.85Å; M273-L322 HydrophobicContact SD-CD1 4.04Å
274R95.1Very high93Very high166 Ų16658.6 Ų58.663%0.62629%0.285SS*.Hα-helixtrans-62.2-38.7173.9-75-179.3-67.9156-2.4112.3D270 S271 Y272 R278D270-R274 VanDerWaalsContact O-CG 3.31Å; D270-R274 WeakPolarHBondContact O-CG 3.4Å; D270-R274 PolarHBondContact O-N 3.33Å; D270-R274 VanDerWaalsContact O-N 3.15Å; D270-R274 PolarHBondContact O-NE 3.15Å; D270-R274 VanDerWaalsContact O-NE 3.16Å; S271-R274 PolarHBondContact O-N 3.5Å; S271-R274 PolarHBondContact OG-NH2 3.23Å; Y272-R274 VanDerWaalsContact C-N 3.33Å; Y272-R274 PolarHBondContact O-N 3.2Å; R274-R278 PolarHBondContact O-N 2.92Å
275L95.6Very high93.1Very high11 Ų1157.4 Ų57.46%0.05827%0.274CS..Hα-helixtrans-63.2-51.5174.2173.660.5000111.2M237 E238 L241 S271 Y272 M273 R277 R278 L279M237-L275 HydrophobicContact CG-CD2 4.1Å; E238-L275 HydrophobicContact CB-CD1 3.57Å; E238-L275 HydrophobicContact CG-CD1 3.62Å; L241-L275 HydrophobicContact CB-CD2 3.93Å; L241-L275 HydrophobicContact CD1-CD2 3.87Å; L241-L275 HydrophobicContact CG-CD2 4.42Å; S271-L275 PolarHBondContact O-N 2.98Å; Y272-L275 HydrophobicContact CD2-CD2 4.45Å; Y272-L275 CarbonylContact O-C 3.44Å; Y272-L275 WeakPolarHBondContact O-CA 3.38Å; Y272-L275 WeakPolarHBondContact O-CB 3.26Å; Y272-L275 PolarHBondContact O-N 3.39Å; M273-L275 VanDerWaalsContact C-N 3.31Å; M273-L275 PolarHBondContact O-N 3.47Å; L275-R277 VanDerWaalsContact C-N 3.27Å; L275-R277 PolarHBondContact O-N 3.42Å; L275-R278 CarbonylContact O-C 3.55Å; L275-R278 WeakPolarHBondContact O-CA 3.46Å; L275-R278 WeakPolarHBondContact O-CB 3.45Å; L275-R278 PolarHBondContact O-N 3.37Å; L275-L279 HydrophobicContact CD1-CD1 4.26Å; L275-L279 HydrophobicContact CD1-CD2 4.05Å; L275-L279 HydrophobicContact CD1-CG 3.92Å; L275-L279 HydrophobicContact CG-CD1 4.09Å; L275-L279 HydrophobicContact CG-CG 4.17Å; L275-L279 WeakPolarHBondContact O-CG 3.5Å; L275-L279 PolarHBondContact O-N 2.95Å
276C96.9Very high93.1Very high0 Ų059 Ų590%027%0.268CS..Hα-helixtrans-54.1-45.4177.5-68.60000111.4Y272 M273 R278 L279 F280 V294 L322Y272-C276 PolarHBondContact O-N 3.31Å; Y272-C276 PolarHBondContact O-SG 3.45Å; Y272-C276 VanDerWaalsContact O-SG 3.37Å; M273-C276 PolarHBondContact O-N 3.41Å; C276-R278 VanDerWaalsContact C-N 3.31Å; C276-R278 PolarHBondContact O-N 2.93Å; C276-L279 PolarHBondContact O-N 3.04Å; C276-L279 VanDerWaalsContact O-N 3.12Å; C276-F280 WeakPolarHBondContact O-CG 3.1Å; C276-F280 PolarHBondContact O-N 3.36Å; C276-V294 HydrophobicContact CB-CG1 4.44Å; C276-L322 HydrophobicContact CB-CD1 3.86Å; C276-L322 HydrophobicContact CB-CD2 3.86Å
277R96.2Very high92.8Very high158 Ų15862.7 Ų62.760%0.59629%0.29SS*.Hα-helixtrans-58-43.1174-169.1179.4172.9172.1-2111.7M273 L275 F280 Y281 L322M273-R277 PolarHBondContact O-N 3.29Å; L275-R277 VanDerWaalsContact C-N 3.27Å; L275-R277 PolarHBondContact O-N 3.42Å; R277-F280 PolarHBondContact O-N 2.92Å; R277-Y281 HydrophobicContact CB-CD2 4.42Å; R277-Y281 HydrophobicContact CG-CD2 3.62Å; R277-Y281 HydrophobicContact CG-CE2 4.18Å; R277-Y281 WeakPolarHBondContact O-CB 3.32Å; R277-Y281 VanDerWaalsContact O-CD2 3.22Å; R277-Y281 WeakPolarHBondContact O-CD2 3.38Å; R277-Y281 PolarHBondContact O-N 2.84Å; R277-L322 HydrophobicContact CB-CD2 4.13Å
278R95.3Very high92.3Very high112 Ų11259.7 Ų59.742%0.42328%0.276SS..Hα-helixtrans-64.4-41.2174.9-174.1174.6-171.8-178.57.9112.2E238 R274 L275 C276 F280 I282 R283E238-R278 IonicContact OE1-CZ 3.59Å; E238-R278 IonicContact OE1-NE 2.83Å; E238-R278 VanDerWaalsContact OE2-CD 3.23Å; E238-R278 WeakPolarHBondContact OE2-CD 3.39Å; E238-R278 IonicContact OE2-CZ 2.78Å; E238-R278 IonicContact OE2-NE 2.76Å; E238-R278 PolarHBondContact OE2-NE 2.94Å; E238-R278 IonicContact OE2-NH1 3.66Å; E238-R278 PolarHBondContact OE2-NH1 2.72Å; E238-R278 IonicContact OE2-NH2 2.74Å; R274-R278 PolarHBondContact O-N 2.92Å; L275-R278 CarbonylContact O-C 3.55Å; L275-R278 WeakPolarHBondContact O-CA 3.46Å; L275-R278 WeakPolarHBondContact O-CB 3.45Å; L275-R278 PolarHBondContact O-N 3.37Å; C276-R278 VanDerWaalsContact C-N 3.31Å; C276-R278 PolarHBondContact O-N 2.93Å; R278-F280 VanDerWaalsContact C-N 3.29Å; R278-F280 PolarHBondContact O-N 3.43Å; R278-I282 HydrophobicContact CB-CD1 4.4Å; R278-I282 HydrophobicContact CG-CB 4.01Å; R278-I282 HydrophobicContact CG-CD1 4Å; R278-I282 HydrophobicContact CG-CG2 4.37Å; R278-I282 WeakPolarHBondContact O-CA 3.37Å; R278-I282 WeakPolarHBondContact O-CB 3.01Å; R278-I282 PolarHBondContact O-N 2.78Å; R278-R283 PolarHBondContact O-N 3.16Å
279L95.5Very high92.1Very high1 Ų160.6 Ų60.61%0.00528%0.281CS..Hα-helixtrans-64.7-32.9178.7-64.1-179.1000112.7E238 A242 L275 C276 R283 F285 Y346E238-L279 HydrophobicContact CG-CD2 4.47Å; A242-L279 HydrophobicContact CB-CD1 4.41Å; A242-L279 HydrophobicContact CB-CD2 3.69Å; L275-L279 HydrophobicContact CD1-CD1 4.26Å; L275-L279 HydrophobicContact CD1-CD2 4.05Å; L275-L279 HydrophobicContact CD1-CG 3.92Å; L275-L279 HydrophobicContact CG-CD1 4.09Å; L275-L279 HydrophobicContact CG-CG 4.17Å; L275-L279 WeakPolarHBondContact O-CG 3.5Å; L275-L279 PolarHBondContact O-N 2.95Å; C276-L279 PolarHBondContact O-N 3.04Å; C276-L279 VanDerWaalsContact O-N 3.12Å; L279-R283 HydrophobicContact CD2-CG 4.37Å; L279-F285 HydrophobicContact CB-CE2 4.31Å; L279-F285 HydrophobicContact CD2-CE2 4.02Å; L279-F285 HydrophobicContact CD2-CZ 3.86Å; L279-Y346 WeakPolarHBondContact O-CE1 3.5Å; L279-Y346 PolarHBondContact O-OH 3.32Å
280F96.4Very high92.1Very high0 Ų060.7 Ų60.70%028%0.282CS..Hα-helixtrans-88.2-39.9-178.9-67.3-8.7000113.1C276 R277 R278 V291 V294 F295 L322 R343 I350C276-F280 WeakPolarHBondContact O-CG 3.1Å; C276-F280 PolarHBondContact O-N 3.36Å; R277-F280 PolarHBondContact O-N 2.92Å; R278-F280 VanDerWaalsContact C-N 3.29Å; R278-F280 PolarHBondContact O-N 3.43Å; F280-V291 HydrophobicContact CE1-CB 4.49Å; F280-V291 HydrophobicContact CE1-CG1 4.45Å; F280-V291 HydrophobicContact CE1-CG2 4.24Å; F280-V294 HydrophobicContact CE1-CB 4.31Å; F280-V294 HydrophobicContact CE1-CG1 4.3Å; F280-V294 HydrophobicContact CE2-CG1 4.27Å; F280-V294 HydrophobicContact CZ-CB 3.87Å; F280-V294 HydrophobicContact CZ-CG1 3.55Å; F280-F295 HydrophobicContact CD2-CE2 4.36Å; F280-F295 HydrophobicContact CD2-CZ 4.13Å; F280-F295 HydrophobicContact CE2-CD2 4.27Å; F280-F295 HydrophobicContact CE2-CE1 4.07Å; F280-F295 AromaticContact CE2-CE2 3.56Å; F280-F295 HydrophobicContact CE2-CE2 3.56Å; F280-F295 AromaticContact CE2-CZ 3.42Å; F280-F295 HydrophobicContact CE2-CZ 3.42Å; F280-F295 VanDerWaalsContact CE2-CZ 3.42Å; F280-F295 HydrophobicContact CZ-CD2 4.1Å; F280-F295 AromaticContact CZ-CE2 3.76Å; F280-F295 HydrophobicContact CZ-CE2 3.76Å; F280-F295 HydrophobicContact CZ-CZ 4.08Å; F280-L322 HydrophobicContact CD2-CB 4.46Å; F280-L322 HydrophobicContact CD2-CD2 4.4Å; F280-L322 HydrophobicContact CE2-CB 4.34Å; F280-L322 HydrophobicContact CE2-CD1 4.46Å; F280-R343 PolarHBondContact O-NH1 2.93Å; F280-R343 PolarHBondContact O-NH2 2.88Å; F280-I350 HydrophobicContact CB-CD1 3.78Å; F280-I350 HydrophobicContact CB-CG1 4.44Å; F280-I350 HydrophobicContact CB-CG2 4.49Å; F280-I350 HydrophobicContact CD1-CD1 4.34Å; F280-I350 HydrophobicContact CD1-CG1 4.29Å; F280-I350 HydrophobicContact CD2-CG2 4.18Å; F280-I350 HydrophobicContact CG-CD1 4.18Å; F280-I350 HydrophobicContact CG-CG1 4.33Å; F280-I350 HydrophobicContact CG-CG2 4.31Å; F280-I350 VanDerWaalsContact O-CD1 3.24Å; F280-I350 WeakPolarHBondContact O-CD1 3.14Å
281Y94.4Very high92.2Very high44 Ų4457.7 Ų57.717%0.17327%0.266CS..Hα-helixtrans-103.4-25.2-168.6-60.5-67.5000114.7R277 L322 P325 A326 R343 L347R277-Y281 HydrophobicContact CB-CD2 4.42Å; R277-Y281 HydrophobicContact CG-CD2 3.62Å; R277-Y281 HydrophobicContact CG-CE2 4.18Å; R277-Y281 WeakPolarHBondContact O-CB 3.32Å; R277-Y281 VanDerWaalsContact O-CD2 3.22Å; R277-Y281 WeakPolarHBondContact O-CD2 3.38Å; R277-Y281 PolarHBondContact O-N 2.84Å; Y281-L322 PolarHBondContact OH-O 3.37Å; Y281-P325 HydrophobicContact CE1-CB 4.27Å; Y281-P325 HydrophobicContact CE2-CB 4.36Å; Y281-A326 HydrophobicContact CE1-CB 4.41Å; Y281-A326 WeakPolarHBondContact OH-CA 3.37Å; Y281-A326 WeakPolarHBondContact OH-CB 3.45Å; Y281-A326 PolarHBondContact OH-N 2.88Å; Y281-R343 VanDerWaalsContact CA-NH2 3.26Å; Y281-R343 PolarHBondContact O-NH2 3.4Å; Y281-R343 VanDerWaalsContact O-NH2 3.13Å; Y281-L347 HydrophobicContact CE1-CD1 4.42Å
282I92.2Very high92.3Very high125 Ų12557 Ų5764%0.64126%0.259SS*.THydrogen-bonded Turntrans-112.1-41.4-175.7-61.5170.4000111.4R278R278-I282 HydrophobicContact CB-CD1 4.4Å; R278-I282 HydrophobicContact CG-CB 4.01Å; R278-I282 HydrophobicContact CG-CD1 4Å; R278-I282 HydrophobicContact CG-CG2 4.37Å; R278-I282 WeakPolarHBondContact O-CA 3.37Å; R278-I282 WeakPolarHBondContact O-CB 3.01Å; R278-I282 PolarHBondContact O-N 2.78Å
283R92Very high92.3Very high113 Ų11357.1 Ų57.143%0.42626%0.259SS..  trans-85.5161.4174.9-60.9-60-164.8170.86.1111E238 R278 L279 F285 Y346E238-R283 IonicContact OE1-CZ 3.1Å; E238-R283 IonicContact OE1-NE 2.64Å; E238-R283 PolarHBondContact OE1-NE 3.23Å; E238-R283 IonicContact OE1-NH2 3.66Å; E238-R283 PolarHBondContact OE1-NH2 3.24Å; R278-R283 PolarHBondContact O-N 3.16Å; L279-R283 HydrophobicContact CD2-CG 4.37Å; R283-F285 HydrophobicContact CB-CE2 3.83Å; R283-F285 HydrophobicContact CB-CZ 4.31Å; R283-Y346 WeakPolarHBondContact O-CE1 3.48Å
284Q89Confident92.4Very high69 Ų6956.7 Ų56.732%0.32226%0.257SS..  trans-136.4127.4174.1-175-169.7-4200108.2E342 Y346Q284-E342 PolarHBondContact NE2-OE2 2.71Å; Q284-Y346 HydrophobicContact CB-CD1 4.42Å; Q284-Y346 HydrophobicContact CG-CD1 4.21Å; Q284-Y346 HydrophobicContact CG-CG 4.22Å
285F88.6Confident92.5Very high41 Ų4148.8 Ų48.818%0.1823%0.227CC..  trans-110.9125.5175.5-62.6-91.5000108.2A242 K246 L279 R283 T290 Y346A242-F285 HydrophobicContact CB-CE1 4.45Å; A242-F285 HydrophobicContact CB-CZ 4.09Å; K246-F285 HydrophobicContact CD-CD1 4.41Å; L279-F285 HydrophobicContact CB-CE2 4.31Å; L279-F285 HydrophobicContact CD2-CE2 4.02Å; L279-F285 HydrophobicContact CD2-CZ 3.86Å; R283-F285 HydrophobicContact CB-CE2 3.83Å; R283-F285 HydrophobicContact CB-CZ 4.31Å; F285-T290 HydrophobicContact CD2-CG2 4.34Å; F285-T290 HydrophobicContact CE2-CG2 4.24Å; F285-Y346 HydrophobicContact CB-CE2 4.04Å; F285-Y346 HydrophobicContact CD2-CE1 4.49Å; F285-Y346 HydrophobicContact CD2-CE2 4.18Å; F285-Y346 AromaticContact CD2-CZ 3.78Å; F285-Y346 VanDerWaalsContact CD2-OH 3.32Å; F285-Y346 WeakPolarHBondContact CD2-OH 3.18Å; F285-Y346 WeakPolarHBondContact O-CD2 3.46Å
286K84.2Confident92.5Very high136 Ų13648.8 Ų48.859%0.59123%0.227SC*.SBendtrans-78.1-28.2178.3-62.9-168.2175-151.90112.2E342K286-E342 WeakPolarHBondContact CE-OE2 3.44Å; K286-E342 VanDerWaalsContact NZ-CD 3.27Å; K286-E342 IonicContact NZ-OE1 3.5Å; K286-E342 PolarHBondContact NZ-OE1 3.42Å; K286-E342 IonicContact NZ-OE2 2.76Å; K286-E342 PolarHBondContact NZ-OE2 2.83Å
287T82.8Confident92.5Very high96 Ų9648.8 Ų48.859%0.58923%0.227SC*.SBendtrans-145.9156.8-173.462.10000110.9
288G80.1Confident92.5Very high32 Ų3241.3 Ų41.333%0.3320%0.199SC..SBendtrans104.9177.7172.900000113.7Y436G288-Y436 PolarHBondContact O-OH 3.04Å
289N88.4Confident92.6Very high62 Ų6237.2 Ų37.233%0.33218%0.184SC..SBendtrans-96.810.1-167.6-66.9-20.4000113.8A245 K246 C248 P249 V291 R292 N293A245-N289 CarbonylContact O-C 3.56Å; K246-N289 PolarHBondContact O-N 3.24Å; C248-N289 PolarHBondContact O-ND2 3.03Å; P249-N289 PolarHBondContact O-ND2 3.24Å; N289-V291 VanDerWaalsContact C-N 3.31Å; N289-V291 PolarHBondContact O-N 2.91Å; N289-V291 VanDerWaalsContact O-N 3.11Å; N289-R292 PolarHBondContact O-N 3.26Å; N289-R292 VanDerWaalsContact O-N 3.12Å; N289-N293 WeakPolarHBondContact CB-ND2 3.48Å; N289-N293 VanDerWaalsContact O-CB 3.31Å; N289-N293 WeakPolarHBondContact O-CB 3.42Å; N289-N293 PolarHBondContact O-N 3.41Å
290T94Very high92.5Very high2 Ų238.6 Ų38.61%0.01219%0.191CC..Hα-helixtrans-44.9-52.4-170.2-54.20000113.2A245 K246 F285 V294A245-T290 HydrophobicContact CB-CG2 3.91Å; A245-T290 WeakPolarHBondContact O-CA 3.36Å; A245-T290 PolarHBondContact O-N 2.64Å; K246-T290 WeakPolarHBondContact CA-OG1 3.37Å; F285-T290 HydrophobicContact CD2-CG2 4.34Å; F285-T290 HydrophobicContact CE2-CG2 4.24Å; T290-V294 WeakPolarHBondContact O-CB 3.43Å; T290-V294 WeakPolarHBondContact O-CG2 3.31Å; T290-V294 PolarHBondContact O-N 3.44Å
291V95.6Very high92.4Very high1 Ų138.8 Ų38.81%0.00619%0.193CC..Hα-helixtrans-66.8-48.7-174.9-179.10000111.4F280 N289 V294 F295 Y346 I350 S353F280-V291 HydrophobicContact CE1-CB 4.49Å; F280-V291 HydrophobicContact CE1-CG1 4.45Å; F280-V291 HydrophobicContact CE1-CG2 4.24Å; N289-V291 VanDerWaalsContact C-N 3.31Å; N289-V291 PolarHBondContact O-N 2.91Å; N289-V291 VanDerWaalsContact O-N 3.11Å; V291-V294 PolarHBondContact O-N 3.26Å; V291-F295 HydrophobicContact CG1-CD2 3.8Å; V291-F295 HydrophobicContact CG1-CE2 3.89Å; V291-F295 WeakPolarHBondContact O-CD2 3.1Å; V291-F295 PolarHBondContact O-N 2.95Å; V291-Y346 HydrophobicContact CG2-CD2 4.42Å; V291-Y346 HydrophobicContact CG2-CE2 3.48Å; V291-Y346 VanDerWaalsContact CG2-CE2 3.48Å; V291-I350 HydrophobicContact CG1-CB 4.27Å; V291-I350 HydrophobicContact CG1-CG1 3.94Å; V291-I350 HydrophobicContact CG2-CG1 3.84Å; V291-S353 VanDerWaalsContact CG1-CB 3.46Å; V291-S353 VanDerWaalsContact CG1-OG 3.25Å; V291-S353 WeakPolarHBondContact CG1-OG 3.4Å
292R95.7Very high92.5Very high20 Ų2036.8 Ų36.88%0.07519%0.185CC..Hα-helixtrans-65-44.8-179.9-55.8-161.674.4167.97.1111.3N289 V294 F295 N296 D357 P435 Y436 V438N289-R292 PolarHBondContact O-N 3.26Å; N289-R292 VanDerWaalsContact O-N 3.12Å; R292-V294 VanDerWaalsContact C-N 3.32Å; R292-V294 PolarHBondContact O-N 2.88Å; R292-F295 PolarHBondContact O-N 3.46Å; R292-N296 WeakPolarHBondContact O-CB 3.27Å; R292-N296 PolarHBondContact O-N 3.45Å; R292-D357 WeakPolarHBondContact CB-OD2 3.24Å; R292-D357 VanDerWaalsContact CG-OD2 3.25Å; R292-D357 WeakPolarHBondContact CG-OD2 3.42Å; R292-D357 IonicContact CZ-OD1 3.56Å; R292-D357 IonicContact CZ-OD2 3.12Å; R292-D357 IonicContact NE-OD1 2.89Å; R292-D357 PolarHBondContact NE-OD1 3.17Å; R292-D357 IonicContact NE-OD2 2.83Å; R292-D357 PolarHBondContact NE-OD2 3.41Å; R292-D357 IonicContact NH2-OD1 3.35Å; R292-D357 PolarHBondContact NH2-OD1 3.27Å; R292-D357 IonicContact NH2-OD2 3.14Å; R292-P435 PolarHBondContact NH1-O 2.92Å; R292-Y436 HydrophobicContact CG-CD1 3.76Å; R292-Y436 HydrophobicContact CG-CE1 3.48Å; R292-Y436 VanDerWaalsContact CG-CE1 3.48Å; R292-V438 PolarHBondContact NH1-O 3.28Å; R292-V438 VanDerWaalsContact NH1-O 3.08Å; R292-V438 PolarHBondContact NH2-O 2.98Å
293N95.9Very high92.6Very high1 Ų133.2 Ų33.21%0.00517%0.171CC..Hα-helixtrans-57.8-45.6177.1-77.7-13.7000111.2A245 C248 P251 Y254 N289 S297A245-N293 PolarHBondContact O-ND2 3.41Å; C248-N293 WeakPolarHBondContact CB-ND2 3.34Å; C248-N293 PolarHBondContact O-ND2 3.3Å; P251-N293 WeakPolarHBondContact CA-OD1 3.42Å; P251-N293 WeakPolarHBondContact CD-OD1 3.39Å; P251-N293 WeakPolarHBondContact CG-OD1 3.48Å; Y254-N293 HydrophobicContact CD1-CB 3.91Å; Y254-N293 WeakPolarHBondContact CD1-O 3.37Å; Y254-N293 HydrophobicContact CG-CB 4.03Å; N289-N293 WeakPolarHBondContact CB-ND2 3.48Å; N289-N293 VanDerWaalsContact O-CB 3.31Å; N289-N293 WeakPolarHBondContact O-CB 3.42Å; N289-N293 PolarHBondContact O-N 3.41Å; N293-S297 WeakPolarHBondContact O-CB 3.47Å; N293-S297 PolarHBondContact O-N 2.89Å; N293-S297 PolarHBondContact O-OG 2.82Å; N293-S297 VanDerWaalsContact O-OG 3.07Å
294V96.9Very high92.6Very high0 Ų034.9 Ų34.90%018%0.181CC..Hα-helixtrans-65.6-54.8178.4172.30000111.3A245 Y254 C276 F280 T290 V291 R292 N296 S297 F298A245-V294 HydrophobicContact CB-CG2 4.31Å; Y254-V294 HydrophobicContact CE1-CG2 3.97Å; C276-V294 HydrophobicContact CB-CG1 4.44Å; F280-V294 HydrophobicContact CE1-CB 4.31Å; F280-V294 HydrophobicContact CE1-CG1 4.3Å; F280-V294 HydrophobicContact CE2-CG1 4.27Å; F280-V294 HydrophobicContact CZ-CB 3.87Å; F280-V294 HydrophobicContact CZ-CG1 3.55Å; T290-V294 WeakPolarHBondContact O-CB 3.43Å; T290-V294 WeakPolarHBondContact O-CG2 3.31Å; T290-V294 PolarHBondContact O-N 3.44Å; V291-V294 PolarHBondContact O-N 3.26Å; R292-V294 VanDerWaalsContact C-N 3.32Å; R292-V294 PolarHBondContact O-N 2.88Å; V294-N296 PolarHBondContact O-N 2.88Å; V294-S297 PolarHBondContact O-N 3.35Å; V294-S297 PolarHBondContact O-OG 3.12Å; V294-F298 HydrophobicContact CG1-CD2 3.92Å; V294-F298 HydrophobicContact CG1-CE2 3.63Å; V294-F298 VanDerWaalsContact O-CD2 3.24Å; V294-F298 WeakPolarHBondContact O-CD2 3.42Å; V294-F298 PolarHBondContact O-N 2.74Å; V294-F298 VanDerWaalsContact O-N 3.1Å
295F97.6Very high92.7Very high0 Ų033.4 Ų33.40%018%0.178CC..Hα-helixtrans-63.2-44.2-177-83.4-60000113.1F280 V291 R292 S297 F298 F299 L322 I350 W354 D357 F358F280-F295 HydrophobicContact CD2-CE2 4.36Å; F280-F295 HydrophobicContact CD2-CZ 4.13Å; F280-F295 HydrophobicContact CE2-CD2 4.27Å; F280-F295 HydrophobicContact CE2-CE1 4.07Å; F280-F295 AromaticContact CE2-CE2 3.56Å; F280-F295 HydrophobicContact CE2-CE2 3.56Å; F280-F295 AromaticContact CE2-CZ 3.42Å; F280-F295 HydrophobicContact CE2-CZ 3.42Å; F280-F295 VanDerWaalsContact CE2-CZ 3.42Å; F280-F295 HydrophobicContact CZ-CD2 4.1Å; F280-F295 AromaticContact CZ-CE2 3.76Å; F280-F295 HydrophobicContact CZ-CE2 3.76Å; F280-F295 HydrophobicContact CZ-CZ 4.08Å; V291-F295 HydrophobicContact CG1-CD2 3.8Å; V291-F295 HydrophobicContact CG1-CE2 3.89Å; V291-F295 WeakPolarHBondContact O-CD2 3.1Å; V291-F295 PolarHBondContact O-N 2.95Å; R292-F295 PolarHBondContact O-N 3.46Å; F295-S297 VanDerWaalsContact C-N 3.32Å; F295-S297 PolarHBondContact O-N 3.26Å; F295-F298 WeakPolarHBondContact O-CB 3.09Å; F295-F298 PolarHBondContact O-N 3.44Å; F295-F298 VanDerWaalsContact O-N 3.17Å; F295-F299 PolarHBondContact O-N 3.48Å; F295-L322 HydrophobicContact CE1-CB 4.15Å; F295-L322 HydrophobicContact CZ-CB 4.45Å; F295-I350 HydrophobicContact CE2-CG2 3.91Å; F295-I350 HydrophobicContact CZ-CG2 4.16Å; F295-W354 HydrophobicContact CD1-CB 4.3Å; F295-W354 HydrophobicContact CD2-CB 4.35Å; F295-W354 HydrophobicContact CE1-CB 3.83Å; F295-W354 AromaticContact CE1-CD1 3.95Å; F295-W354 HydrophobicContact CE1-CG 4.21Å; F295-W354 HydrophobicContact CE2-CB 3.87Å; F295-W354 HydrophobicContact CZ-CB 3.6Å; F295-W354 HydrophobicContact CZ-CG 4.31Å; F295-D357 HydrophobicContact CB-CB 4.23Å; F295-F358 HydrophobicContact CB-CB 4.01Å; F295-F358 HydrophobicContact CD1-CB 3.99Å; F295-F358 HydrophobicContact CD1-CG 4.34Å; F295-F358 HydrophobicContact CG-CB 4.35Å
296N95.9Very high92.6Very high12 Ų1239.3 Ų39.36%0.06421%0.207CC..Hα-helixtrans-68.5-32.6178.5-168.4-83.4000111.8P251 R292 V294 F298 F299 M300 D357 L440P251-N296 HydrophobicContact CB-CB 3.6Å; P251-N296 WeakPolarHBondContact CB-OD1 3.5Å; P251-N296 HydrophobicContact CG-CB 3.86Å; R292-N296 WeakPolarHBondContact O-CB 3.27Å; R292-N296 PolarHBondContact O-N 3.45Å; V294-N296 PolarHBondContact O-N 2.88Å; N296-F298 VanDerWaalsContact C-N 3.31Å; N296-F298 PolarHBondContact O-N 3.36Å; N296-F299 WeakPolarHBondContact O-CB 3.45Å; N296-F299 PolarHBondContact O-N 3.24Å; N296-F299 VanDerWaalsContact O-N 3.16Å; N296-M300 WeakPolarHBondContact O-CG 3.42Å; N296-M300 PolarHBondContact O-N 2.94Å; N296-M300 WeakPolarHBondContact OD1-CE 3.33Å; N296-D357 WeakPolarHBondContact CA-O 3.32Å; N296-D357 HydrophobicContact CB-CB 4.17Å; N296-L440 HydrophobicContact CB-CD1 3.94Å; N296-L440 WeakPolarHBondContact ND2-CD1 3.48Å
297S95.7Very high92.9Very high0 Ų035.9 Ų35.90%020%0.197CC..Hα-helixtrans-63.8-35.4171.671.50000113Y255 F262 N293 V294 F295 M300 A301Y255-S297 WeakPolarHBondContact CD2-O 3.41Å; F262-S297 WeakPolarHBondContact CZ-OG 3.35Å; N293-S297 WeakPolarHBondContact O-CB 3.47Å; N293-S297 PolarHBondContact O-N 2.89Å; N293-S297 PolarHBondContact O-OG 2.82Å; N293-S297 VanDerWaalsContact O-OG 3.07Å; V294-S297 PolarHBondContact O-N 3.35Å; V294-S297 PolarHBondContact O-OG 3.12Å; F295-S297 VanDerWaalsContact C-N 3.32Å; F295-S297 PolarHBondContact O-N 3.26Å; S297-M300 PolarHBondContact O-N 3.17Å; S297-A301 WeakPolarHBondContact O-CB 3.43Å; S297-A301 PolarHBondContact O-N 3.2Å
298F97.3Very high93.3Very high0 Ų037 Ų370%020%0.199CC..Hα-helixtrans-66.5-40.9171-79.7-68000111.8F262 F269 Y272 M273 V294 F295 N296 M300 A301 V302 V318 L322 F358F262-F298 AromaticContact CD1-CD1 3.76Å; F262-F298 HydrophobicContact CD1-CD1 3.76Å; F262-F298 AromaticContact CD1-CE1 3.8Å; F262-F298 HydrophobicContact CD1-CE1 3.8Å; F262-F298 AromaticContact CE1-CD1 3.48Å; F262-F298 HydrophobicContact CE1-CD1 3.48Å; F262-F298 VanDerWaalsContact CE1-CD1 3.48Å; F262-F298 AromaticContact CE1-CE1 3.57Å; F262-F298 HydrophobicContact CE1-CE1 3.57Å; F262-F298 AromaticContact CE1-CG 3.99Å; F262-F298 HydrophobicContact CE1-CG 3.99Å; F262-F298 HydrophobicContact CE1-CZ 4.16Å; F269-F298 HydrophobicContact CE2-CE1 4.18Å; Y272-F298 HydrophobicContact CD1-CE1 4.48Å; Y272-F298 AromaticContact CD1-CZ 3.99Å; Y272-F298 HydrophobicContact CD1-CZ 3.99Å; Y272-F298 HydrophobicContact CE1-CE1 4.15Å; Y272-F298 HydrophobicContact CE1-CE2 4.08Å; Y272-F298 AromaticContact CE1-CZ 3.54Å; Y272-F298 HydrophobicContact CE1-CZ 3.54Å; M273-F298 HydrophobicContact SD-CE1 3.75Å; M273-F298 HydrophobicContact SD-CZ 3.52Å; M273-F298 VanDerWaalsContact SD-CZ 3.52Å; V294-F298 HydrophobicContact CG1-CD2 3.92Å; V294-F298 HydrophobicContact CG1-CE2 3.63Å; V294-F298 VanDerWaalsContact O-CD2 3.24Å; V294-F298 WeakPolarHBondContact O-CD2 3.42Å; V294-F298 PolarHBondContact O-N 2.74Å; V294-F298 VanDerWaalsContact O-N 3.1Å; F295-F298 WeakPolarHBondContact O-CB 3.09Å; F295-F298 PolarHBondContact O-N 3.44Å; F295-F298 VanDerWaalsContact O-N 3.17Å; N296-F298 VanDerWaalsContact C-N 3.31Å; N296-F298 PolarHBondContact O-N 3.36Å; F298-M300 VanDerWaalsContact C-N 3.34Å; F298-M300 PolarHBondContact O-N 3.16Å; F298-A301 WeakPolarHBondContact O-CB 3.31Å; F298-A301 PolarHBondContact O-N 3.4Å; F298-V302 VanDerWaalsContact O-CG2 3.28Å; F298-V302 WeakPolarHBondContact O-CG2 3.14Å; F298-V302 PolarHBondContact O-N 3.35Å; F298-V318 HydrophobicContact CB-CG1 4.12Å; F298-V318 HydrophobicContact CB-CG2 4.14Å; F298-V318 HydrophobicContact CD1-CG2 3.38Å; F298-V318 HydrophobicContact CD2-CG1 4.22Å; F298-V318 HydrophobicContact CD2-CG2 4.38Å; F298-V318 HydrophobicContact CE1-CG2 3.78Å; F298-V318 HydrophobicContact CG-CG1 4.08Å; F298-V318 HydrophobicContact CG-CG2 3.73Å; F298-V318 HydrophobicContact CZ-CG2 4.42Å; F298-L322 HydrophobicContact CD2-CD1 4.25Å; F298-L322 HydrophobicContact CE2-CD1 3.54Å; F298-L322 HydrophobicContact CZ-CD1 3.93Å; F298-F358 HydrophobicContact CB-CD2 3.89Å; F298-F358 HydrophobicContact CB-CE2 3.81Å
299F95.7Very high93.8Very high26 Ų2642 Ų4211%0.11421%0.214CC..Hα-helixtrans-56.9-48.5173.4162.6-111.8000111.1F295 N296 A301 V302 S303 F358 P361 V362 N365 L366F295-F299 PolarHBondContact O-N 3.48Å; N296-F299 WeakPolarHBondContact O-CB 3.45Å; N296-F299 PolarHBondContact O-N 3.24Å; N296-F299 VanDerWaalsContact O-N 3.16Å; F299-A301 VanDerWaalsContact C-N 3.32Å; F299-A301 PolarHBondContact O-N 3.4Å; F299-V302 WeakPolarHBondContact O-CB 3.24Å; F299-V302 PolarHBondContact O-N 2.98Å; F299-V302 VanDerWaalsContact O-N 3.15Å; F299-S303 WeakPolarHBondContact CE2-OG 3.24Å; F299-S303 PolarHBondContact O-N 3.34Å; F299-S303 PolarHBondContact O-OG 2.77Å; F299-S303 VanDerWaalsContact O-OG 3.12Å; F299-F358 HydrophobicContact CB-CD2 4.12Å; F299-P361 HydrophobicContact CD1-CB 4.01Å; F299-P361 HydrophobicContact CD2-CB 3.56Å; F299-P361 HydrophobicContact CE1-CB 3.95Å; F299-P361 VanDerWaalsContact CE2-C 3.48Å; F299-P361 HydrophobicContact CE2-CB 3.48Å; F299-P361 VanDerWaalsContact CE2-CB 3.48Å; F299-P361 WeakPolarHBondContact CE2-O 3.37Å; F299-P361 HydrophobicContact CG-CB 3.83Å; F299-P361 HydrophobicContact CZ-CB 3.7Å; F299-V362 HydrophobicContact CD2-CG2 3.79Å; F299-N365 HydrophobicContact CE2-CB 4.36Å; F299-N365 HydrophobicContact CZ-CB 4.26Å; F299-L366 HydrophobicContact CE2-CD1 4.36Å
300M95Very high94Very high30 Ų3044.1 Ų44.115%0.14822%0.22CC..Hα-helixtrans-60.6-39.7176.1-68.9-177.9-178.200112.7Q252 Y255 N296 S297 F298 V302 S303 K304Q252-M300 HydrophobicContact CB-CE 4.18Å; Q252-M300 HydrophobicContact CG-CE 3.42Å; Q252-M300 VanDerWaalsContact CG-CE 3.42Å; Q252-M300 HydrophobicContact CG-SD 4.28Å; Y255-M300 HydrophobicContact CD1-CB 3.99Å; Y255-M300 HydrophobicContact CD1-SD 4.05Å; Y255-M300 HydrophobicContact CD2-CB 3.7Å; Y255-M300 HydrophobicContact CE1-CB 4.25Å; Y255-M300 HydrophobicContact CE2-CB 3.95Å; Y255-M300 HydrophobicContact CG-CB 3.71Å; Y255-M300 HydrophobicContact CG-CG 4.44Å; Y255-M300 HydrophobicContact CG-SD 3.92Å; N296-M300 WeakPolarHBondContact O-CG 3.42Å; N296-M300 PolarHBondContact O-N 2.94Å; N296-M300 WeakPolarHBondContact OD1-CE 3.33Å; S297-M300 PolarHBondContact O-N 3.17Å; F298-M300 VanDerWaalsContact C-N 3.34Å; F298-M300 PolarHBondContact O-N 3.16Å; M300-V302 VanDerWaalsContact C-N 3.34Å; M300-S303 PolarHBondContact O-N 2.89Å; M300-K304 WeakPolarHBondContact O-CG 3.48Å; M300-K304 PolarHBondContact O-N 3.38Å
301A94.6Very high93.9Very high5 Ų544.4 Ų44.44%0.04122%0.222CC..Hα-helixtrans-60.7-43.6175.200000111.8Y255 F262 S297 F298 F299 K304 C305 L314Y255-A301 HydrophobicContact CE2-CB 3.81Å; F262-A301 HydrophobicContact CB-CB 3.76Å; F262-A301 HydrophobicContact CD1-CB 3.53Å; F262-A301 HydrophobicContact CD2-CB 4.06Å; F262-A301 HydrophobicContact CE1-CB 4.13Å; F262-A301 HydrophobicContact CG-CB 3.5Å; S297-A301 WeakPolarHBondContact O-CB 3.43Å; S297-A301 PolarHBondContact O-N 3.2Å; F298-A301 WeakPolarHBondContact O-CB 3.31Å; F298-A301 PolarHBondContact O-N 3.4Å; F299-A301 VanDerWaalsContact C-N 3.32Å; F299-A301 PolarHBondContact O-N 3.4Å; A301-K304 PolarHBondContact O-N 2.84Å; A301-C305 PolarHBondContact O-N 3.05Å; A301-C305 PolarHBondContact O-SG 2.88Å; A301-L314 HydrophobicContact CB-CD2 3.89Å
302V95.4Very high93.8Very high2 Ų246.3 Ų46.31%0.01223%0.234CC..Hα-helixtrans-62.3-45175.4176.60000110.3F298 F299 M300 K304 C305 S311 L314 A315 F358 V362 L366 I368F298-V302 VanDerWaalsContact O-CG2 3.28Å; F298-V302 WeakPolarHBondContact O-CG2 3.14Å; F298-V302 PolarHBondContact O-N 3.35Å; F299-V302 WeakPolarHBondContact O-CB 3.24Å; F299-V302 PolarHBondContact O-N 2.98Å; F299-V302 VanDerWaalsContact O-N 3.15Å; M300-V302 VanDerWaalsContact C-N 3.34Å; V302-K304 VanDerWaalsContact C-N 3.27Å; V302-K304 PolarHBondContact O-N 3.34Å; V302-C305 WeakPolarHBondContact O-CB 3.26Å; V302-C305 PolarHBondContact O-N 3.2Å; V302-S311 WeakPolarHBondContact CG1-O 3.37Å; V302-L314 HydrophobicContact CG2-CB 4.15Å; V302-L314 HydrophobicContact CG2-CD2 3.79Å; V302-L314 HydrophobicContact CG2-CG 3.77Å; V302-A315 HydrophobicContact CG1-CB 4.15Å; V302-A315 HydrophobicContact CG2-CB 4.18Å; V302-F358 HydrophobicContact CG2-CE2 4.23Å; V302-V362 HydrophobicContact CG1-CG2 4.48Å; V302-L366 HydrophobicContact CB-CD1 4.27Å; V302-L366 HydrophobicContact CG1-CD1 3.51Å; V302-I368 HydrophobicContact CG1-CD1 3.83Å
303S93.4Very high93.7Very high50 Ų5049.6 Ų49.635%0.3525%0.253SS..Hα-helixtrans-64.1-27.5178.8-57.10000114.1F299 M300F299-S303 WeakPolarHBondContact CE2-OG 3.24Å; F299-S303 PolarHBondContact O-N 3.34Å; F299-S303 PolarHBondContact O-OG 2.77Å; F299-S303 VanDerWaalsContact O-OG 3.12Å; M300-S303 PolarHBondContact O-N 2.89Å
304K92.2Very high93.6Very high147 Ų14749.6 Ų49.664%0.63925%0.253SS*.THydrogen-bonded Turntrans-91.91178.5-64.5-154-162.5-177.20114.3Y255 M300 A301 V302Y255-K304 HydrophobicContact CE1-CD 3.98Å; Y255-K304 VanDerWaalsContact CE1-CE 3.45Å; Y255-K304 VanDerWaalsContact OH-CD 3.3Å; Y255-K304 WeakPolarHBondContact OH-CD 3.31Å; M300-K304 WeakPolarHBondContact O-CG 3.48Å; M300-K304 PolarHBondContact O-N 3.38Å; A301-K304 PolarHBondContact O-N 2.84Å; V302-K304 VanDerWaalsContact C-N 3.27Å; V302-K304 PolarHBondContact O-N 3.34Å
305C90.9Very high93.5Very high38 Ų3849.6 Ų49.626%0.25725%0.253SS..  trans-65.1139.1175.5-73.60000111.1A301 V302 T307 K310A301-C305 PolarHBondContact O-N 3.05Å; A301-C305 PolarHBondContact O-SG 2.88Å; V302-C305 WeakPolarHBondContact O-CB 3.26Å; V302-C305 PolarHBondContact O-N 3.2Å; C305-T307 PolarHBondContact O-N 3.13Å; C305-K310 HydrophobicContact CB-CB 4.22Å
306E87.8Confident93.3Very high166 Ų16652.2 Ų52.278%0.77627%0.269SS*.SBendtrans-69.2-32.1-177-60167.2153.400113.6K310E306-K310 IonicContact OE2-NZ 2.76Å; E306-K310 PolarHBondContact OE2-NZ 3.01Å
307T90.2Very high93.2Very high63 Ų6355.1 Ų55.139%0.38728%0.279SS..SBendtrans-123.1145.8-17667.20000110.6C305 E309 K310 S311C305-T307 PolarHBondContact O-N 3.13Å; T307-E309 PolarHBondContact O-N 3.34Å; T307-K310 PolarHBondContact O-N 2.7Å; T307-K310 WeakPolarHBondContact OG1-CB 3.24Å; T307-K310 VanDerWaalsContact OG1-CG 3.26Å; T307-K310 WeakPolarHBondContact OG1-CG 3.46Å; T307-K310 PolarHBondContact OG1-N 2.84Å; T307-S311 PolarHBondContact O-N 3.34Å
308L91.1Very high93.2Very high120 Ų12055.1 Ų55.163%0.62828%0.279SS*.Hα-helixtrans-57-40.2175.9-175.663.9000110.8K310 S311 T312 I368L308-K310 PolarHBondContact O-N 3.04Å; L308-S311 WeakPolarHBondContact CA-OG 3.2Å; L308-S311 PolarHBondContact O-N 2.8Å; L308-S311 PolarHBondContact O-OG 3.12Å; L308-T312 HydrophobicContact CD1-CG2 4.3Å; L308-T312 HydrophobicContact CG-CG2 4.29Å; L308-T312 WeakPolarHBondContact O-CG2 3.14Å; L308-T312 PolarHBondContact O-N 3.4Å; L308-T312 PolarHBondContact O-OG1 2.89Å; L308-I368 HydrophobicContact CD1-CG1 4.24Å
309E90.9Very high93.1Very high137 Ų13755.7 Ų55.764%0.6428%0.282SS*.Hα-helixtrans-60.4-45.1177.4-171.7-173.517100113.2T307 S311 T312 N313T307-E309 PolarHBondContact O-N 3.34Å; E309-S311 VanDerWaalsContact C-N 3.31Å; E309-S311 PolarHBondContact O-N 2.81Å; E309-T312 WeakPolarHBondContact CA-OG1 3.32Å; E309-T312 PolarHBondContact O-N 3.17Å; E309-T312 PolarHBondContact O-OG1 2.83Å; E309-N313 WeakPolarHBondContact O-CB 2.96Å; E309-N313 PolarHBondContact O-N 3.14Å; E309-N313 PolarHBondContact O-ND2 3.01Å
310K91.6Very high93Very high107 Ų10760.2 Ų60.247%0.46530%0.304SS..Hα-helixtrans-62.7-42.2175.4-75.9176.8-175.7179.80110.7C305 E306 T307 L308 N313 L314C305-K310 HydrophobicContact CB-CB 4.22Å; E306-K310 IonicContact OE2-NZ 2.76Å; E306-K310 PolarHBondContact OE2-NZ 3.01Å; T307-K310 PolarHBondContact O-N 2.7Å; T307-K310 WeakPolarHBondContact OG1-CB 3.24Å; T307-K310 VanDerWaalsContact OG1-CG 3.26Å; T307-K310 WeakPolarHBondContact OG1-CG 3.46Å; T307-K310 PolarHBondContact OG1-N 2.84Å; L308-K310 PolarHBondContact O-N 3.04Å; K310-N313 PolarHBondContact O-N 2.72Å; K310-L314 WeakPolarHBondContact O-CB 3.3Å; K310-L314 PolarHBondContact O-N 3.13Å
311S92.7Very high93Very high8 Ų861.9 Ų61.96%0.05631%0.313CS..Hα-helixtrans-63.6-43.7178.678.10000111.8V302 T307 L308 E309 L314 A315 I368V302-S311 WeakPolarHBondContact CG1-O 3.37Å; T307-S311 PolarHBondContact O-N 3.34Å; L308-S311 WeakPolarHBondContact CA-OG 3.2Å; L308-S311 PolarHBondContact O-N 2.8Å; L308-S311 PolarHBondContact O-OG 3.12Å; E309-S311 VanDerWaalsContact C-N 3.31Å; E309-S311 PolarHBondContact O-N 2.81Å; S311-L314 PolarHBondContact O-N 3.36Å; S311-A315 WeakPolarHBondContact O-CB 3.4Å; S311-A315 PolarHBondContact O-N 3.22Å; S311-I368 WeakPolarHBondContact OG-CD1 3.2Å
312T93.2Very high93.1Very high41 Ų4161.7 Ų61.725%0.25231%0.311SS..Hα-helixtrans-66.3-4317852.40000111L308 E309 A315 T316 I368L308-T312 HydrophobicContact CD1-CG2 4.3Å; L308-T312 HydrophobicContact CG-CG2 4.29Å; L308-T312 WeakPolarHBondContact O-CG2 3.14Å; L308-T312 PolarHBondContact O-N 3.4Å; L308-T312 PolarHBondContact O-OG1 2.89Å; E309-T312 WeakPolarHBondContact CA-OG1 3.32Å; E309-T312 PolarHBondContact O-N 3.17Å; E309-T312 PolarHBondContact O-OG1 2.83Å; T312-A315 PolarHBondContact O-N 3.3Å; T312-T316 WeakPolarHBondContact O-CG2 3.31Å; T312-T316 PolarHBondContact O-N 2.74Å; T312-T316 PolarHBondContact O-OG1 3.46Å; T312-T316 VanDerWaalsContact O-OG1 3.05Å; T312-I368 HydrophobicContact CG2-CD1 4.23Å; T312-I368 HydrophobicContact CG2-CG1 4Å; T312-I368 HydrophobicContact CG2-CG2 4.01Å
313N92.9Very high93.1Very high88 Ų8861.6 Ų61.647%0.47131%0.311SS..Hα-helixtrans-65.2-40.2179.3-71.4-16.3000112.5E309 K310 T316 R317E309-N313 WeakPolarHBondContact O-CB 2.96Å; E309-N313 PolarHBondContact O-N 3.14Å; E309-N313 PolarHBondContact O-ND2 3.01Å; K310-N313 PolarHBondContact O-N 2.72Å; N313-T316 PolarHBondContact O-OG1 2.78Å; N313-T316 VanDerWaalsContact O-OG1 3.05Å; N313-R317 VanDerWaalsContact O-CB 3.26Å; N313-R317 WeakPolarHBondContact O-CB 3.42Å; N313-R317 PolarHBondContact O-N 3.34Å; N313-R317 VanDerWaalsContact O-N 3.14Å
314L94.5Very high93.2Very high1 Ų160.4 Ų60.41%0.00530%0.3CS..Hα-helixtrans-67.8-42174179.359.5000110.8F269 A301 V302 K310 S311 R317 V318F269-L314 HydrophobicContact CE2-CD1 3.66Å; F269-L314 HydrophobicContact CZ-CD1 3.47Å; F269-L314 VanDerWaalsContact CZ-CD1 3.47Å; A301-L314 HydrophobicContact CB-CD2 3.89Å; V302-L314 HydrophobicContact CG2-CB 4.15Å; V302-L314 HydrophobicContact CG2-CD2 3.79Å; V302-L314 HydrophobicContact CG2-CG 3.77Å; K310-L314 WeakPolarHBondContact O-CB 3.3Å; K310-L314 PolarHBondContact O-N 3.13Å; S311-L314 PolarHBondContact O-N 3.36Å; L314-R317 PolarHBondContact O-N 2.81Å; L314-V318 HydrophobicContact CD1-CG2 4.16Å; L314-V318 WeakPolarHBondContact O-CG2 3.25Å; L314-V318 PolarHBondContact O-N 3.04Å
315A95.3Very high93.3Very high0 Ų055 Ų550%028%0.28CS..Hα-helixtrans-62.2-48-179.600000112.2V302 S311 T312 V318 D319 F358 V362 I368V302-A315 HydrophobicContact CG1-CB 4.15Å; V302-A315 HydrophobicContact CG2-CB 4.18Å; S311-A315 WeakPolarHBondContact O-CB 3.4Å; S311-A315 PolarHBondContact O-N 3.22Å; T312-A315 PolarHBondContact O-N 3.3Å; A315-V318 PolarHBondContact O-N 3.24Å; A315-D319 WeakPolarHBondContact O-CB 3.03Å; A315-D319 PolarHBondContact O-N 3.38Å; A315-F358 HydrophobicContact CB-CZ 4.43Å; A315-V362 HydrophobicContact CB-CG1 4.1Å; A315-I368 HydrophobicContact CB-CD1 4.49Å; A315-I368 HydrophobicContact CB-CG2 4.2Å
316T93.6Very high93.6Very high56 Ų5653.1 Ų53.134%0.34427%0.268SS..Hα-helixtrans-62.8-43.2177.353.10000111.4T312 N313 V318 D319 E320 L370T312-T316 WeakPolarHBondContact O-CG2 3.31Å; T312-T316 PolarHBondContact O-N 2.74Å; T312-T316 PolarHBondContact O-OG1 3.46Å; T312-T316 VanDerWaalsContact O-OG1 3.05Å; N313-T316 PolarHBondContact O-OG1 2.78Å; N313-T316 VanDerWaalsContact O-OG1 3.05Å; T316-V318 PolarHBondContact O-N 3.27Å; T316-D319 WeakPolarHBondContact O-CB 3.43Å; T316-D319 PolarHBondContact O-N 3.43Å; T316-E320 WeakPolarHBondContact O-CB 3.25Å; T316-E320 WeakPolarHBondContact O-CG 3.29Å; T316-E320 PolarHBondContact O-N 3.29Å; T316-L370 HydrophobicContact CG2-CD2 4.36Å
317R94.1Very high94Very high72 Ų7245.3 Ų45.327%0.27223%0.231SC..Hα-helixtrans-61.6-42.7178.9-170.4170.3-177.8-174.4-2.7112.6F269 D270 M273 N313 L314 D321F269-R317 VanDerWaalsContact CE1-NH1 3.35Å; D270-R317 IonicContact OD1-CZ 3.32Å; D270-R317 IonicContact OD1-NH1 2.69Å; D270-R317 PolarHBondContact OD1-NH1 3.38Å; D270-R317 IonicContact OD1-NH2 2.63Å; D270-R317 PolarHBondContact OD1-NH2 3.1Å; M273-R317 HydrophobicContact CE-CG 4.41Å; N313-R317 VanDerWaalsContact O-CB 3.26Å; N313-R317 WeakPolarHBondContact O-CB 3.42Å; N313-R317 PolarHBondContact O-N 3.34Å; N313-R317 VanDerWaalsContact O-N 3.14Å; L314-R317 PolarHBondContact O-N 2.81Å; R317-D321 WeakPolarHBondContact CG-OD2 3.31Å; R317-D321 IonicContact NE-OD2 2.67Å; R317-D321 WeakPolarHBondContact O-CB 3.45Å; R317-D321 PolarHBondContact O-N 3.26Å
318V95.8Very high94.2Very high0 Ų049.2 Ų49.20%024%0.239CC..Hα-helixtrans-67.3-41.2175.6172.70000111.1F298 L314 A315 T316 E320 L322 G323 F358F298-V318 HydrophobicContact CB-CG1 4.12Å; F298-V318 HydrophobicContact CB-CG2 4.14Å; F298-V318 HydrophobicContact CD1-CG2 3.38Å; F298-V318 HydrophobicContact CD2-CG1 4.22Å; F298-V318 HydrophobicContact CD2-CG2 4.38Å; F298-V318 HydrophobicContact CE1-CG2 3.78Å; F298-V318 HydrophobicContact CG-CG1 4.08Å; F298-V318 HydrophobicContact CG-CG2 3.73Å; F298-V318 HydrophobicContact CZ-CG2 4.42Å; L314-V318 HydrophobicContact CD1-CG2 4.16Å; L314-V318 WeakPolarHBondContact O-CG2 3.25Å; L314-V318 PolarHBondContact O-N 3.04Å; A315-V318 PolarHBondContact O-N 3.24Å; T316-V318 PolarHBondContact O-N 3.27Å; V318-E320 PolarHBondContact O-N 2.84Å; V318-L322 HydrophobicContact CG1-CD1 4.36Å; V318-L322 WeakPolarHBondContact O-CB 3.34Å; V318-L322 PolarHBondContact O-N 2.83Å; V318-G323 PolarHBondContact O-N 3.41Å; V318-G323 VanDerWaalsContact O-N 3.16Å; V318-F358 HydrophobicContact CB-CE1 4.01Å; V318-F358 HydrophobicContact CB-CE2 4.03Å; V318-F358 HydrophobicContact CB-CZ 3.51Å; V318-F358 HydrophobicContact CG1-CD1 4.12Å; V318-F358 HydrophobicContact CG1-CD2 4.12Å; V318-F358 HydrophobicContact CG1-CE1 3.67Å; V318-F358 HydrophobicContact CG1-CE2 3.68Å; V318-F358 HydrophobicContact CG1-CG 4.32Å; V318-F358 HydrophobicContact CG1-CZ 3.42Å; V318-F358 VanDerWaalsContact CG1-CZ 3.42Å; V318-F358 HydrophobicContact CG2-CE2 4.5Å; V318-F358 HydrophobicContact CG2-CZ 4.35Å
319D94.8Very high94.4Very high12 Ų1245.9 Ų45.96%0.06422%0.223CC..Iπ-helixtrans-59.7-45.8176.6-160.161.9000111.4A315 T316 G323 L324 W354 F358 R359 L370A315-D319 WeakPolarHBondContact O-CB 3.03Å; A315-D319 PolarHBondContact O-N 3.38Å; T316-D319 WeakPolarHBondContact O-CB 3.43Å; T316-D319 PolarHBondContact O-N 3.43Å; D319-G323 CarbonylContact O-C 3.56Å; D319-G323 WeakPolarHBondContact O-CA 3.46Å; D319-G323 PolarHBondContact O-N 3.07Å; D319-L324 WeakPolarHBondContact O-CG 3.26Å; D319-L324 PolarHBondContact O-N 3.24Å; D319-W354 VanDerWaalsContact OD1-CE2 3.24Å; D319-W354 WeakPolarHBondContact OD1-CZ2 3.42Å; D319-W354 PolarHBondContact OD1-NE1 3.3Å; D319-F358 HydrophobicContact CB-CE1 4.48Å; D319-R359 IonicContact OD1-CZ 2.88Å; D319-R359 IonicContact OD1-NH1 3.46Å; D319-R359 PolarHBondContact OD1-NH1 2.8Å; D319-R359 IonicContact OD2-CZ 3.61Å; D319-R359 IonicContact OD2-NH1 3.91Å; D319-R359 PolarHBondContact OD2-NH1 3.45Å; D319-L370 HydrophobicContact CB-CD2 4.18Å
320E93.9Very high94.7Very high122 Ų12239.3 Ų39.357%0.5719%0.193SC*.Iπ-helixtrans-77.3-43-177.5-69.6179.117600114.1T316 V318 L324 P325T316-E320 WeakPolarHBondContact O-CB 3.25Å; T316-E320 WeakPolarHBondContact O-CG 3.29Å; T316-E320 PolarHBondContact O-N 3.29Å; V318-E320 PolarHBondContact O-N 2.84Å; E320-L324 HydrophobicContact CG-CD1 4.19Å; E320-P325 VanDerWaalsContact O-CD 3.25Å; E320-P325 WeakPolarHBondContact O-CD 3.36Å; E320-P325 WeakPolarHBondContact O-CG 3.46Å
321D94.1Very high94.9Very high65 Ų6534.5 Ų34.535%0.34817%0.172SC..Iπ-helixtrans-83.9-30.6-173.7-73.5-22.6000113M273 R317M273-D321 HydrophobicContact CE-CB 3.63Å; R317-D321 WeakPolarHBondContact CG-OD2 3.31Å; R317-D321 IonicContact NE-OD2 2.67Å; R317-D321 WeakPolarHBondContact O-CB 3.45Å; R317-D321 PolarHBondContact O-N 3.26Å
322L96.1Very high95Very high1 Ų137 Ų371%0.00519%0.185CC..Iπ-helixtrans-118.7-36.4-172.3-59-179.3000113.6M273 C276 R277 F280 Y281 F295 F298 V318M273-L322 HydrophobicContact CE-CD1 3.93Å; M273-L322 HydrophobicContact CE-CD2 4.43Å; M273-L322 HydrophobicContact CE-CG 3.85Å; M273-L322 HydrophobicContact SD-CD1 4.04Å; C276-L322 HydrophobicContact CB-CD1 3.86Å; C276-L322 HydrophobicContact CB-CD2 3.86Å; R277-L322 HydrophobicContact CB-CD2 4.13Å; F280-L322 HydrophobicContact CD2-CB 4.46Å; F280-L322 HydrophobicContact CD2-CD2 4.4Å; F280-L322 HydrophobicContact CE2-CB 4.34Å; F280-L322 HydrophobicContact CE2-CD1 4.46Å; Y281-L322 PolarHBondContact OH-O 3.37Å; F295-L322 HydrophobicContact CE1-CB 4.15Å; F295-L322 HydrophobicContact CZ-CB 4.45Å; F298-L322 HydrophobicContact CD2-CD1 4.25Å; F298-L322 HydrophobicContact CE2-CD1 3.54Å; F298-L322 HydrophobicContact CZ-CD1 3.93Å; V318-L322 HydrophobicContact CG1-CD1 4.36Å; V318-L322 WeakPolarHBondContact O-CB 3.34Å; V318-L322 PolarHBondContact O-N 2.83Å
323G95.6Very high94.8Very high0 Ų038 Ų380%019%0.188CC..Iπ-helixtrans-85.2-66.1-173.800000114.8V318 D319 P325 A326 W354V318-G323 PolarHBondContact O-N 3.41Å; V318-G323 VanDerWaalsContact O-N 3.16Å; D319-G323 CarbonylContact O-C 3.56Å; D319-G323 WeakPolarHBondContact O-CA 3.46Å; D319-G323 PolarHBondContact O-N 3.07Å; G323-P325 VanDerWaalsContact C-N 3.31Å; G323-A326 WeakPolarHBondContact O-CA 3.28Å; G323-A326 WeakPolarHBondContact O-CB 3.27Å; G323-A326 PolarHBondContact O-N 3.46Å; G323-W354 VanDerWaalsContact CA-CD1 3.46Å; G323-W354 VanDerWaalsContact CA-CE2 3.43Å
324L94.9Very high94.7Very high25 Ų2538.5 Ų38.513%0.13119%0.191CC..Hα-helixtrans-52-38.6-179.1-73.4174.9000114D319 E320 A326 L327 R328 W354 L375D319-L324 WeakPolarHBondContact O-CG 3.26Å; D319-L324 PolarHBondContact O-N 3.24Å; E320-L324 HydrophobicContact CG-CD1 4.19Å; L324-A326 PolarHBondContact O-N 3.02Å; L324-L327 PolarHBondContact O-N 3.49Å; L324-R328 WeakPolarHBondContact O-CG 3.23Å; L324-R328 PolarHBondContact O-N 3.4Å; L324-W354 HydrophobicContact CD2-CH2 3.9Å; L324-W354 HydrophobicContact CD2-CZ2 4.05Å; L324-W354 HydrophobicContact CG-CH2 4.44Å; L324-W354 HydrophobicContact CG-CZ2 4.18Å; L324-L375 HydrophobicContact CD2-CD2 3.57Å
325P95.6Very high94.6Very high32 Ų3239.3 Ų39.321%0.20820%0.197CC..Hα-helixtrans-63.1-27.4175.9-21.133.8000112.8Y281 E320 G323 R328 V329Y281-P325 HydrophobicContact CE1-CB 4.27Å; Y281-P325 HydrophobicContact CE2-CB 4.36Å; E320-P325 VanDerWaalsContact O-CD 3.25Å; E320-P325 WeakPolarHBondContact O-CD 3.36Å; E320-P325 WeakPolarHBondContact O-CG 3.46Å; G323-P325 VanDerWaalsContact C-N 3.31Å; P325-R328 PolarHBondContact O-N 2.82Å; P325-V329 WeakPolarHBondContact O-CB 3.46Å; P325-V329 WeakPolarHBondContact O-CG2 3.37Å; P325-V329 PolarHBondContact O-N 2.91Å
326A96.3Very high94.4Very high0 Ų039.4 Ų39.40%020%0.197CC..Hα-helixtrans-66.9-44.2176.500000110.8Y281 G323 L324 W330 L347 I350Y281-A326 HydrophobicContact CE1-CB 4.41Å; Y281-A326 WeakPolarHBondContact OH-CA 3.37Å; Y281-A326 WeakPolarHBondContact OH-CB 3.45Å; Y281-A326 PolarHBondContact OH-N 2.88Å; G323-A326 WeakPolarHBondContact O-CA 3.28Å; G323-A326 WeakPolarHBondContact O-CB 3.27Å; G323-A326 PolarHBondContact O-N 3.46Å; L324-A326 PolarHBondContact O-N 3.02Å; A326-W330 WeakPolarHBondContact O-CB 3.45Å; A326-W330 PolarHBondContact O-N 2.93Å; A326-L347 HydrophobicContact CB-CD1 4.28Å; A326-I350 HydrophobicContact CB-CB 4.49Å; A326-I350 HydrophobicContact CB-CG2 3.67Å
327L96.3Very high94.1Very high2 Ų238.3 Ų38.31%0.0119%0.188CC..Hα-helixtrans-63.7-45.2175.5177.658.9000111.6L324 V329 W330 S331 L351 W354 L375 D378 V379L324-L327 PolarHBondContact O-N 3.49Å; L327-V329 PolarHBondContact O-N 3.14Å; L327-W330 HydrophobicContact CD1-CE3 4.09Å; L327-W330 CarbonylContact O-C 3.52Å; L327-W330 WeakPolarHBondContact O-CB 3.43Å; L327-W330 PolarHBondContact O-N 3.12Å; L327-S331 WeakPolarHBondContact O-CB 3.36Å; L327-S331 PolarHBondContact O-N 2.72Å; L327-S331 PolarHBondContact O-OG 3.15Å; L327-L351 HydrophobicContact CB-CD1 3.86Å; L327-L351 HydrophobicContact CD1-CD1 4.09Å; L327-L351 HydrophobicContact CD1-CD2 4.49Å; L327-W354 HydrophobicContact CB-CZ3 4.08Å; L327-L375 HydrophobicContact CD2-CB 4.22Å; L327-L375 HydrophobicContact CD2-CD2 3.69Å; L327-L375 HydrophobicContact CD2-CG 4.48Å; L327-D378 HydrophobicContact CD1-CB 4.31Å; L327-D378 HydrophobicContact CD2-CB 3.75Å; L327-D378 HydrophobicContact CG-CB 3.82Å; L327-V379 HydrophobicContact CD1-CG2 3.72Å; L327-V379 HydrophobicContact CD2-CG2 4.24Å
328R95.3Very high93.8Very high145 Ų14538.9 Ų38.955%0.54720%0.199SC..Hα-helixtrans-62.8-42.5179.3-69.31751801662.2112.8L324 P325 W330 S331 D332L324-R328 WeakPolarHBondContact O-CG 3.23Å; L324-R328 PolarHBondContact O-N 3.4Å; P325-R328 PolarHBondContact O-N 2.82Å; R328-W330 VanDerWaalsContact C-N 3.32Å; R328-S331 PolarHBondContact O-N 3.08Å; R328-S331 PolarHBondContact O-OG 2.98Å; R328-D332 WeakPolarHBondContact O-CB 3.42Å; R328-D332 PolarHBondContact O-N 3.05Å
329V95.5Very high93.4Very high49 Ų4939.6 Ų39.630%0.29721%0.206SC..Hα-helixtrans-71.9-31.8175.8178.70000110.7P325 L327 S331 S335 R344 L347P325-V329 WeakPolarHBondContact O-CB 3.46Å; P325-V329 WeakPolarHBondContact O-CG2 3.37Å; P325-V329 PolarHBondContact O-N 2.91Å; L327-V329 PolarHBondContact O-N 3.14Å; V329-S331 VanDerWaalsContact C-N 3.34Å; V329-S335 VanDerWaalsContact CG1-OG 3.27Å; V329-S335 WeakPolarHBondContact CG1-OG 3.11Å; V329-S335 WeakPolarHBondContact O-CB 3.32Å; V329-S335 PolarHBondContact O-OG 3.34Å; V329-R344 PolarHBondContact O-NH1 3.37Å; V329-L347 HydrophobicContact CB-CD1 4.38Å; V329-L347 HydrophobicContact CB-CD2 4.11Å; V329-L347 HydrophobicContact CG1-CD1 4.34Å; V329-L347 HydrophobicContact CG1-CD2 3.66Å
330W96.8Very high93.2Very high0 Ų040.7 Ų40.70%021%0.214CC..Hα-helixtrans-67.1-38.2174.4-177.985000110.9A326 L327 R328 R344 L347 L351 I383 H386 I401A326-W330 WeakPolarHBondContact O-CB 3.45Å; A326-W330 PolarHBondContact O-N 2.93Å; L327-W330 HydrophobicContact CD1-CE3 4.09Å; L327-W330 CarbonylContact O-C 3.52Å; L327-W330 WeakPolarHBondContact O-CB 3.43Å; L327-W330 PolarHBondContact O-N 3.12Å; R328-W330 VanDerWaalsContact C-N 3.32Å; W330-R344 PolarHBondContact O-NH2 3.23Å; W330-L347 HydrophobicContact CB-CD2 4.08Å; W330-L347 HydrophobicContact CB-CG 4.42Å; W330-L351 HydrophobicContact CB-CD2 4.13Å; W330-L351 HydrophobicContact CD2-CD2 3.74Å; W330-L351 HydrophobicContact CE3-CD2 4.17Å; W330-L351 HydrophobicContact CG-CD2 3.72Å; W330-I383 HydrophobicContact CH2-CG1 4.03Å; W330-H386 AromaticContact CD1-CE1 3.8Å; W330-H386 AromaticContact CD1-NE2 3.96Å; W330-H386 AromaticContact CD2-CE1 3.62Å; W330-H386 AromaticContact CE2-CE1 3.2Å; W330-H386 AromaticContact CE2-ND1 3.93Å; W330-H386 AromaticContact CE2-NE2 3.76Å; W330-H386 AromaticContact CG-CE1 3.99Å; W330-H386 AromaticContact CZ2-CE1 3.51Å; W330-H386 AromaticContact CZ2-ND1 3.79Å; W330-H386 AromaticContact NE1-CE1 3.31Å; W330-H386 PolarHBondContact NE1-CE1 3.26Å; W330-H386 VanDerWaalsContact NE1-CE1 3.31Å; W330-H386 AromaticContact NE1-NE2 3.41Å; W330-H386 PolarHBondContact NE1-NE2 3.25Å; W330-H386 PolarHBondContact O-CE1 3.35Å; W330-I401 HydrophobicContact CH2-CG2 4.38Å; W330-I401 HydrophobicContact CZ2-CB 4.01Å; W330-I401 HydrophobicContact CZ2-CG2 3.73Å
331S95.4Very high93Very high5 Ų536.9 Ų36.94%0.03520%0.198CC..Hα-helixtrans-83.6-17.6-179.467.40000114.9L327 R328 V329 D378 N381 N385L327-S331 WeakPolarHBondContact O-CB 3.36Å; L327-S331 PolarHBondContact O-N 2.72Å; L327-S331 PolarHBondContact O-OG 3.15Å; R328-S331 PolarHBondContact O-N 3.08Å; R328-S331 PolarHBondContact O-OG 2.98Å; V329-S331 VanDerWaalsContact C-N 3.34Å; S331-D378 WeakPolarHBondContact CB-O 3.28Å; S331-N381 PolarHBondContact O-ND2 3.39Å; S331-N385 PolarHBondContact O-ND2 3Å
332D94.3Very high92.9Very high62 Ų6238.2 Ų38.233%0.33220%0.202SC..  trans-71.3126.7-178.517548.2000113.8R328 N334 S335 I336R328-D332 WeakPolarHBondContact O-CB 3.42Å; R328-D332 PolarHBondContact O-N 3.05Å; D332-N334 PolarHBondContact O-N 2.99Å; D332-N334 PolarHBondContact OD1-N 3.13Å; D332-N334 PolarHBondContact OD1-ND2 3.24Å; D332-N334 WeakPolarHBondContact OD2-CB 3.46Å; D332-N334 PolarHBondContact OD2-N 2.64Å; D332-S335 PolarHBondContact O-N 3.18Å; D332-S335 WeakPolarHBondContact OD2-CB 3.46Å; D332-S335 PolarHBondContact OD2-N 3.5Å; D332-I336 WeakPolarHBondContact O-CG1 3.37Å; D332-I336 PolarHBondContact O-N 2.81Å
333I90.7Very high92.7Very high61 Ų6140 Ų4031%0.31321%0.208SC..Hα-helixtrans-64.1-37.5-180-170.662.5000112.4I336 Q337 N385I333-I336 PolarHBondContact O-N 2.98Å; I333-Q337 WeakPolarHBondContact O-CG 3.39Å; I333-Q337 PolarHBondContact O-N 2.75Å; I333-N385 HydrophobicContact CD1-CB 4.13Å
334N90.7Very high92.6Very high99 Ų9940 Ų4053%0.52921%0.209SC..Hα-helixtrans-68.2-41-179.5-59.8-60.6000110.5D332 I336 Q337 T338D332-N334 PolarHBondContact O-N 2.99Å; D332-N334 PolarHBondContact OD1-N 3.13Å; D332-N334 PolarHBondContact OD1-ND2 3.24Å; D332-N334 WeakPolarHBondContact OD2-CB 3.46Å; D332-N334 PolarHBondContact OD2-N 2.64Å; N334-I336 VanDerWaalsContact C-N 3.34Å; N334-I336 PolarHBondContact O-N 2.87Å; N334-Q337 PolarHBondContact O-N 3.22Å; N334-T338 WeakPolarHBondContact O-CB 3.47Å; N334-T338 WeakPolarHBondContact O-CG2 3.28Å; N334-T338 PolarHBondContact O-N 2.72Å; N334-T338 PolarHBondContact O-OG1 3.35Å
335S91.4Very high92.6Very high18 Ų1839.7 Ų39.713%0.12621%0.207CC..Hα-helixtrans-59.8-43172.1-174.50000112.1V329 D332 Q337 T338 A339 R344V329-S335 VanDerWaalsContact CG1-OG 3.27Å; V329-S335 WeakPolarHBondContact CG1-OG 3.11Å; V329-S335 WeakPolarHBondContact O-CB 3.32Å; V329-S335 PolarHBondContact O-OG 3.34Å; D332-S335 PolarHBondContact O-N 3.18Å; D332-S335 WeakPolarHBondContact OD2-CB 3.46Å; D332-S335 PolarHBondContact OD2-N 3.5Å; S335-Q337 VanDerWaalsContact C-N 3.32Å; S335-Q337 PolarHBondContact O-N 2.73Å; S335-T338 PolarHBondContact O-N 3.49Å; S335-A339 WeakPolarHBondContact O-CB 3.43Å; S335-A339 PolarHBondContact O-N 3.26Å; S335-R344 PolarHBondContact OG-NH1 3.01Å
336I91.4Very high92.6Very high2 Ų238.4 Ų38.41%0.0120%0.198CC..Hα-helixtrans-60.9-41.7177.5-70.6164000111.4D332 I333 N334 N385 I394D332-I336 WeakPolarHBondContact O-CG1 3.37Å; D332-I336 PolarHBondContact O-N 2.81Å; I333-I336 PolarHBondContact O-N 2.98Å; N334-I336 VanDerWaalsContact C-N 3.34Å; N334-I336 PolarHBondContact O-N 2.87Å; I336-N385 HydrophobicContact CD1-CB 3.62Å; I336-I394 HydrophobicContact CG2-CG2 3.67Å
337Q87.8Confident92.6Very high33 Ų3338.6 Ų38.615%0.15420%0.198CC..Hα-helixtrans-78.1-27.3-177.7-71.4179.8-30.300113.8I333 N334 S335 E760 P761I333-Q337 WeakPolarHBondContact O-CG 3.39Å; I333-Q337 PolarHBondContact O-N 2.75Å; N334-Q337 PolarHBondContact O-N 3.22Å; S335-Q337 VanDerWaalsContact C-N 3.32Å; S335-Q337 PolarHBondContact O-N 2.73Å; Q337-E760 PolarHBondContact NE2-OE2 2.83Å; Q337-P761 WeakPolarHBondContact O-CG 3.38Å
338T86.6Confident92.6Very high83 Ų8338.5 Ų38.551%0.50920%0.198SC..Hα-helixtrans-101.6-23.1-174.9570000113.9N334 S335 A821N334-T338 WeakPolarHBondContact O-CB 3.47Å; N334-T338 WeakPolarHBondContact O-CG2 3.28Å; N334-T338 PolarHBondContact O-N 2.72Å; N334-T338 PolarHBondContact O-OG1 3.35Å; S335-T338 PolarHBondContact O-N 3.49Å; T338-A821 WeakPolarHBondContact O-CB 3.1Å
339A89Confident92.6Very high16 Ų1632.2 Ų32.213%0.13218%0.175CC..SBendtrans-81.6146.6-178.600000112.8S335 R343 R344S335-A339 WeakPolarHBondContact O-CB 3.43Å; S335-A339 PolarHBondContact O-N 3.26Å; A339-R343 HydrophobicContact CB-CB 4.39Å; A339-R343 HydrophobicContact CB-CG 4.18Å; A339-R344 HydrophobicContact CB-CG 4.09Å
340S89.4Confident92.7Very high35 Ų3529.9 Ų29.925%0.24516%0.161CC..  trans-66.3155.7169.571.30000111.3E342 R343 R344S340-E342 VanDerWaalsContact C-N 3.3Å; S340-E342 PolarHBondContact O-N 2.98Å; S340-R343 WeakPolarHBondContact O-CB 3.29Å; S340-R343 PolarHBondContact O-N 3.46Å; S340-R343 VanDerWaalsContact O-N 3.14Å; S340-R343 VanDerWaalsContact OG-CB 3.32Å; S340-R343 WeakPolarHBondContact OG-CB 3.39Å; S340-R343 PolarHBondContact OG-N 3.24Å; S340-R344 WeakPolarHBondContact O-CG 3.24Å; S340-R344 PolarHBondContact O-N 3.5Å
341L90.3Very high92.7Very high42 Ų4229.9 Ų29.922%0.2216%0.161CC..Hα-helixtrans-58-44.1177.1178.161.5000111.4R343 R344 I345 E393 I394 F429L341-R343 VanDerWaalsContact C-N 3.27Å; L341-R343 PolarHBondContact O-N 3.27Å; L341-R344 WeakPolarHBondContact O-CB 3.47Å; L341-R344 PolarHBondContact O-N 3.08Å; L341-R344 VanDerWaalsContact O-N 3.1Å; L341-I345 HydrophobicContact CD1-CD1 4.38Å; L341-I345 HydrophobicContact CD1-CG1 4.43Å; L341-I345 HydrophobicContact CG-CD1 4Å; L341-I345 WeakPolarHBondContact O-CG1 3.4Å; L341-I345 PolarHBondContact O-N 3.37Å; L341-E393 HydrophobicContact CD1-CB 3.88Å; L341-E393 HydrophobicContact CD2-CB 3.91Å; L341-E393 HydrophobicContact CD2-CG 4.04Å; L341-I394 HydrophobicContact CD1-CD1 4.03Å; L341-F429 HydrophobicContact CD2-CD1 4.39Å
342E91.1Very high92.8Very high92 Ų9229.6 Ų29.643%0.4316%0.159SC..Hα-helixtrans-59.6-38.8178.2-53-173.9160.100112.1Q284 K286 S340 R344 I345 Y346Q284-E342 PolarHBondContact NE2-OE2 2.71Å; K286-E342 WeakPolarHBondContact CE-OE2 3.44Å; K286-E342 VanDerWaalsContact NZ-CD 3.27Å; K286-E342 IonicContact NZ-OE1 3.5Å; K286-E342 PolarHBondContact NZ-OE1 3.42Å; K286-E342 IonicContact NZ-OE2 2.76Å; K286-E342 PolarHBondContact NZ-OE2 2.83Å; S340-E342 VanDerWaalsContact C-N 3.3Å; S340-E342 PolarHBondContact O-N 2.98Å; E342-R344 VanDerWaalsContact C-N 3.35Å; E342-I345 PolarHBondContact O-N 3.49Å; E342-Y346 PolarHBondContact O-N 3Å
343R92.6Very high92.9Very high39 Ų3926.7 Ų26.715%0.14714%0.143CC..Hα-helixtrans-66.2-38.2176.6177.761.4-173.8113.3-11.3112F280 Y281 A339 S340 L341 Y346 L347F280-R343 PolarHBondContact O-NH1 2.93Å; F280-R343 PolarHBondContact O-NH2 2.88Å; Y281-R343 VanDerWaalsContact CA-NH2 3.26Å; Y281-R343 PolarHBondContact O-NH2 3.4Å; Y281-R343 VanDerWaalsContact O-NH2 3.13Å; A339-R343 HydrophobicContact CB-CB 4.39Å; A339-R343 HydrophobicContact CB-CG 4.18Å; S340-R343 WeakPolarHBondContact O-CB 3.29Å; S340-R343 PolarHBondContact O-N 3.46Å; S340-R343 VanDerWaalsContact O-N 3.14Å; S340-R343 VanDerWaalsContact OG-CB 3.32Å; S340-R343 WeakPolarHBondContact OG-CB 3.39Å; S340-R343 PolarHBondContact OG-N 3.24Å; L341-R343 VanDerWaalsContact C-N 3.27Å; L341-R343 PolarHBondContact O-N 3.27Å; R343-Y346 PolarHBondContact O-N 3.46Å; R343-L347 WeakPolarHBondContact O-CB 3.36Å; R343-L347 PolarHBondContact O-N 3.31Å
344R93.6Very high93.2Very high1 Ų123.8 Ų23.80%0.00413%0.129CC..Hα-helixtrans-66.4-43.3176.3-65.7-60.7-60.3-177.3-1.6111.3V329 W330 S335 A339 S340 L341 E342 Y346 L347 S348 H386 I394 L397V329-R344 PolarHBondContact O-NH1 3.37Å; W330-R344 PolarHBondContact O-NH2 3.23Å; S335-R344 PolarHBondContact OG-NH1 3.01Å; A339-R344 HydrophobicContact CB-CG 4.09Å; S340-R344 WeakPolarHBondContact O-CG 3.24Å; S340-R344 PolarHBondContact O-N 3.5Å; L341-R344 WeakPolarHBondContact O-CB 3.47Å; L341-R344 PolarHBondContact O-N 3.08Å; L341-R344 VanDerWaalsContact O-N 3.1Å; E342-R344 VanDerWaalsContact C-N 3.35Å; R344-Y346 VanDerWaalsContact C-N 3.34Å; R344-Y346 PolarHBondContact O-N 2.9Å; R344-L347 WeakPolarHBondContact O-CB 3.34Å; R344-L347 PolarHBondContact O-N 3.02Å; R344-S348 WeakPolarHBondContact O-CB 3.31Å; R344-S348 PolarHBondContact O-N 2.85Å; R344-S348 PolarHBondContact O-OG 3.02Å; R344-S348 VanDerWaalsContact O-OG 3.04Å; R344-H386 PolarHBondContact NH2-CE1 3.33Å; R344-H386 PolarHBondContact NH2-NE2 2.95Å; R344-I394 HydrophobicContact CG-CD1 4.21Å; R344-L397 HydrophobicContact CB-CD2 3.8Å
345I94.5Very high93.4Very high18 Ų1819.3 Ų19.39%0.09210%0.104CC..Hα-helixtrans-56.6-49.4173.4-66.9163.8000110.3L341 E342 L347 S348 Q349 F429 H432 I433L341-I345 HydrophobicContact CD1-CD1 4.38Å; L341-I345 HydrophobicContact CD1-CG1 4.43Å; L341-I345 HydrophobicContact CG-CD1 4Å; L341-I345 WeakPolarHBondContact O-CG1 3.4Å; L341-I345 PolarHBondContact O-N 3.37Å; E342-I345 PolarHBondContact O-N 3.49Å; I345-L347 VanDerWaalsContact C-N 3.35Å; I345-L347 PolarHBondContact O-N 2.76Å; I345-S348 WeakPolarHBondContact O-CB 3.32Å; I345-S348 PolarHBondContact O-N 3.48Å; I345-Q349 WeakPolarHBondContact O-CG 3.46Å; I345-Q349 PolarHBondContact O-N 3.3Å; I345-F429 HydrophobicContact CD1-CB 3.74Å; I345-F429 HydrophobicContact CD1-CD2 3.85Å; I345-F429 HydrophobicContact CD1-CG 4.01Å; I345-F429 HydrophobicContact CG1-CD2 3.96Å; I345-H432 HydrophobicContact CG2-CB 4.19Å; I345-I433 HydrophobicContact CG1-CD1 4.25Å; I345-I433 HydrophobicContact CG2-CD1 4.14Å; I345-I433 HydrophobicContact CG2-CG1 3.86Å
346Y96.1Very high93.6Very high5 Ų518.7 Ų18.72%0.0210%0.1CC..Hα-helixtrans-63.5-38.8178.5-176.4-117.8000112.6L279 R283 Q284 F285 V291 E342 R343 R344 S348 Q349 I350L279-Y346 WeakPolarHBondContact O-CE1 3.5Å; L279-Y346 PolarHBondContact O-OH 3.32Å; R283-Y346 WeakPolarHBondContact O-CE1 3.48Å; Q284-Y346 HydrophobicContact CB-CD1 4.42Å; Q284-Y346 HydrophobicContact CG-CD1 4.21Å; Q284-Y346 HydrophobicContact CG-CG 4.22Å; F285-Y346 HydrophobicContact CB-CE2 4.04Å; F285-Y346 HydrophobicContact CD2-CE1 4.49Å; F285-Y346 HydrophobicContact CD2-CE2 4.18Å; F285-Y346 AromaticContact CD2-CZ 3.78Å; F285-Y346 VanDerWaalsContact CD2-OH 3.32Å; F285-Y346 WeakPolarHBondContact CD2-OH 3.18Å; F285-Y346 WeakPolarHBondContact O-CD2 3.46Å; V291-Y346 HydrophobicContact CG2-CD2 4.42Å; V291-Y346 HydrophobicContact CG2-CE2 3.48Å; V291-Y346 VanDerWaalsContact CG2-CE2 3.48Å; E342-Y346 PolarHBondContact O-N 3Å; R343-Y346 PolarHBondContact O-N 3.46Å; R344-Y346 VanDerWaalsContact C-N 3.34Å; R344-Y346 PolarHBondContact O-N 2.9Å; Y346-S348 VanDerWaalsContact C-N 3.32Å; Y346-S348 PolarHBondContact O-N 3.21Å; Y346-Q349 WeakPolarHBondContact O-CB 3.4Å; Y346-Q349 PolarHBondContact O-N 3.39Å; Y346-I350 HydrophobicContact CD1-CD1 3.89Å; Y346-I350 HydrophobicContact CE1-CD1 3.61Å; Y346-I350 HydrophobicContact CE1-CG1 4.44Å; Y346-I350 HydrophobicContact CG-CD1 4.48Å; Y346-I350 WeakPolarHBondContact O-CG1 3.23Å; Y346-I350 PolarHBondContact O-N 3.04Å
347L96.2Very high93.8Very high3 Ų318.7 Ų18.72%0.01610%0.1CC..Hα-helixtrans-62.7-39.9173.9-177.265.9000112.1Y281 A326 V329 W330 R343 R344 I345 I350 L351Y281-L347 HydrophobicContact CE1-CD1 4.42Å; A326-L347 HydrophobicContact CB-CD1 4.28Å; V329-L347 HydrophobicContact CB-CD1 4.38Å; V329-L347 HydrophobicContact CB-CD2 4.11Å; V329-L347 HydrophobicContact CG1-CD1 4.34Å; V329-L347 HydrophobicContact CG1-CD2 3.66Å; W330-L347 HydrophobicContact CB-CD2 4.08Å; W330-L347 HydrophobicContact CB-CG 4.42Å; R343-L347 WeakPolarHBondContact O-CB 3.36Å; R343-L347 PolarHBondContact O-N 3.31Å; R344-L347 WeakPolarHBondContact O-CB 3.34Å; R344-L347 PolarHBondContact O-N 3.02Å; I345-L347 VanDerWaalsContact C-N 3.35Å; I345-L347 PolarHBondContact O-N 2.76Å; L347-I350 WeakPolarHBondContact O-CB 3.15Å; L347-I350 PolarHBondContact O-N 3.07Å; L347-L351 PolarHBondContact O-N 2.82Å
348S96.2Very high94.2Very high0 Ų017.1 Ų17.10%09%0.092CC..Hα-helixtrans-63.5-41.6174.6-64.90000112R344 I345 Y346 I350 L351 I352 I401R344-S348 WeakPolarHBondContact O-CB 3.31Å; R344-S348 PolarHBondContact O-N 2.85Å; R344-S348 PolarHBondContact O-OG 3.02Å; R344-S348 VanDerWaalsContact O-OG 3.04Å; I345-S348 WeakPolarHBondContact O-CB 3.32Å; I345-S348 PolarHBondContact O-N 3.48Å; Y346-S348 VanDerWaalsContact C-N 3.32Å; Y346-S348 PolarHBondContact O-N 3.21Å; S348-I350 VanDerWaalsContact C-N 3.29Å; S348-I350 PolarHBondContact O-N 3Å; S348-L351 PolarHBondContact O-N 3.44Å; S348-I352 WeakPolarHBondContact O-CB 3.41Å; S348-I352 VanDerWaalsContact O-CD1 3.26Å; S348-I352 WeakPolarHBondContact O-CD1 3.35Å; S348-I352 WeakPolarHBondContact O-CG1 3.32Å; S348-I352 PolarHBondContact O-N 3.11Å; S348-I401 WeakPolarHBondContact OG-CD1 3.49Å
349Q96.4Very high94.5Very high13 Ų1313.3 Ų13.36%0.0617%0.069CC..Hα-helixtrans-59.5-40.1173.2-67.3168.6-16.500111.8I345 Y346 S353 H432 Y436I345-Q349 WeakPolarHBondContact O-CG 3.46Å; I345-Q349 PolarHBondContact O-N 3.3Å; Y346-Q349 WeakPolarHBondContact O-CB 3.4Å; Y346-Q349 PolarHBondContact O-N 3.39Å; Q349-S353 VanDerWaalsContact O-CB 3.3Å; Q349-S353 WeakPolarHBondContact O-CB 3.48Å; Q349-S353 PolarHBondContact O-N 2.97Å; Q349-S353 PolarHBondContact O-OG 2.94Å; Q349-H432 PolarHBondContact NE2-O 3.48Å; Q349-Y436 HydrophobicContact CB-CD1 4.18Å; Q349-Y436 HydrophobicContact CB-CD2 4.4Å; Q349-Y436 HydrophobicContact CB-CE1 3.92Å; Q349-Y436 HydrophobicContact CB-CE2 4.19Å; Q349-Y436 HydrophobicContact CB-CG 4.4Å; Q349-Y436 HydrophobicContact CG-CD1 4.47Å; Q349-Y436 HydrophobicContact CG-CD2 3.82Å; Q349-Y436 HydrophobicContact CG-CE1 4.27Å; Q349-Y436 HydrophobicContact CG-CE2 3.61Å; Q349-Y436 HydrophobicContact CG-CG 4.25Å
350I97.3Very high94.7Very high0 Ų015.3 Ų15.30%08%0.077CC..Hα-helixtrans-61.4-50.8173.8-64.5159.6000111F280 V291 F295 A326 Y346 L347 S348 I352 S353 W354F280-I350 HydrophobicContact CB-CD1 3.78Å; F280-I350 HydrophobicContact CB-CG1 4.44Å; F280-I350 HydrophobicContact CB-CG2 4.49Å; F280-I350 HydrophobicContact CD1-CD1 4.34Å; F280-I350 HydrophobicContact CD1-CG1 4.29Å; F280-I350 HydrophobicContact CD2-CG2 4.18Å; F280-I350 HydrophobicContact CG-CD1 4.18Å; F280-I350 HydrophobicContact CG-CG1 4.33Å; F280-I350 HydrophobicContact CG-CG2 4.31Å; F280-I350 VanDerWaalsContact O-CD1 3.24Å; F280-I350 WeakPolarHBondContact O-CD1 3.14Å; V291-I350 HydrophobicContact CG1-CB 4.27Å; V291-I350 HydrophobicContact CG1-CG1 3.94Å; V291-I350 HydrophobicContact CG2-CG1 3.84Å; F295-I350 HydrophobicContact CE2-CG2 3.91Å; F295-I350 HydrophobicContact CZ-CG2 4.16Å; A326-I350 HydrophobicContact CB-CB 4.49Å; A326-I350 HydrophobicContact CB-CG2 3.67Å; Y346-I350 HydrophobicContact CD1-CD1 3.89Å; Y346-I350 HydrophobicContact CE1-CD1 3.61Å; Y346-I350 HydrophobicContact CE1-CG1 4.44Å; Y346-I350 HydrophobicContact CG-CD1 4.48Å; Y346-I350 WeakPolarHBondContact O-CG1 3.23Å; Y346-I350 PolarHBondContact O-N 3.04Å; L347-I350 WeakPolarHBondContact O-CB 3.15Å; L347-I350 PolarHBondContact O-N 3.07Å; S348-I350 VanDerWaalsContact C-N 3.29Å; S348-I350 PolarHBondContact O-N 3Å; I350-I352 PolarHBondContact O-N 2.98Å; I350-S353 PolarHBondContact O-N 3.18Å; I350-W354 WeakPolarHBondContact O-CB 3.26Å; I350-W354 PolarHBondContact O-N 3.08Å
351L96.9Very high94.9Very high0 Ų014.6 Ų14.60%07%0.072CC..Hα-helixtrans-57.4-48.2178.9176.562.7000111.7L327 W330 L347 S348 W354 I355 I401 I405L327-L351 HydrophobicContact CB-CD1 3.86Å; L327-L351 HydrophobicContact CD1-CD1 4.09Å; L327-L351 HydrophobicContact CD1-CD2 4.49Å; W330-L351 HydrophobicContact CB-CD2 4.13Å; W330-L351 HydrophobicContact CD2-CD2 3.74Å; W330-L351 HydrophobicContact CE3-CD2 4.17Å; W330-L351 HydrophobicContact CG-CD2 3.72Å; L347-L351 PolarHBondContact O-N 2.82Å; S348-L351 PolarHBondContact O-N 3.44Å; L351-W354 HydrophobicContact CD1-CE3 3.8Å; L351-W354 HydrophobicContact CD1-CZ3 3.81Å; L351-W354 PolarHBondContact O-N 3Å; L351-I355 HydrophobicContact CD1-CD1 4.12Å; L351-I355 HydrophobicContact CG-CD1 4.32Å; L351-I355 WeakPolarHBondContact O-CG1 3.45Å; L351-I355 PolarHBondContact O-N 2.85Å; L351-I401 HydrophobicContact CD2-CG2 4.26Å; L351-I405 HydrophobicContact CD2-CD1 3.9Å; L351-I405 HydrophobicContact CG-CD1 4.4Å
352I96.7Very high95.1Very high0 Ų012.6 Ų12.60%06%0.061CC..Hα-helixtrans-64.9-47.9-179-63.9158.3000110.6S348 I350 W354 I355 I356 W404 I433 Y436 F437S348-I352 WeakPolarHBondContact O-CB 3.41Å; S348-I352 VanDerWaalsContact O-CD1 3.26Å; S348-I352 WeakPolarHBondContact O-CD1 3.35Å; S348-I352 WeakPolarHBondContact O-CG1 3.32Å; S348-I352 PolarHBondContact O-N 3.11Å; I350-I352 PolarHBondContact O-N 2.98Å; I352-W354 VanDerWaalsContact C-N 3.33Å; I352-W354 PolarHBondContact O-N 2.72Å; I352-I355 PolarHBondContact O-N 2.69Å; I352-I355 VanDerWaalsContact O-N 3.14Å; I352-I356 HydrophobicContact CG2-CD1 3.86Å; I352-I356 PolarHBondContact O-N 3Å; I352-W404 HydrophobicContact CB-CH2 4.27Å; I352-W404 HydrophobicContact CB-CZ3 4.11Å; I352-W404 HydrophobicContact CG1-CE3 4.02Å; I352-W404 HydrophobicContact CG1-CH2 4.34Å; I352-W404 HydrophobicContact CG1-CZ3 3.71Å; I352-W404 HydrophobicContact CG2-CH2 3.81Å; I352-W404 HydrophobicContact CG2-CZ2 4.16Å; I352-W404 HydrophobicContact CG2-CZ3 4.03Å; I352-I433 HydrophobicContact CD1-CG2 3.49Å; I352-I433 VanDerWaalsContact CD1-CG2 3.49Å; I352-Y436 WeakPolarHBondContact CG2-O 3.24Å; I352-F437 HydrophobicContact CD1-CD1 3.93Å; I352-F437 HydrophobicContact CD1-CE1 3.37Å; I352-F437 HydrophobicContact CD1-CZ 4.27Å; I352-F437 HydrophobicContact CG1-CD1 4.22Å; I352-F437 HydrophobicContact CG1-CE1 3.85Å; I352-F437 HydrophobicContact CG2-CD1 3.84Å; I352-F437 HydrophobicContact CG2-CE1 4.33Å
353S96.4Very high95.1Very high0 Ų013.2 Ų13.20%06%0.06CC..Hα-helixtrans-64.6-37.7179.9-52.50000111.9V291 Q349 I350 I355 D357 Y436V291-S353 VanDerWaalsContact CG1-CB 3.46Å; V291-S353 VanDerWaalsContact CG1-OG 3.25Å; V291-S353 WeakPolarHBondContact CG1-OG 3.4Å; Q349-S353 VanDerWaalsContact O-CB 3.3Å; Q349-S353 WeakPolarHBondContact O-CB 3.48Å; Q349-S353 PolarHBondContact O-N 2.97Å; Q349-S353 PolarHBondContact O-OG 2.94Å; I350-S353 PolarHBondContact O-N 3.18Å; S353-I355 VanDerWaalsContact C-N 3.28Å; S353-I355 PolarHBondContact O-N 3.1Å; S353-D357 WeakPolarHBondContact CB-OD2 2.97Å; S353-D357 WeakPolarHBondContact O-CA 3.17Å; S353-D357 WeakPolarHBondContact O-CB 3.48Å; S353-D357 PolarHBondContact O-N 3.39Å; S353-Y436 WeakPolarHBondContact OG-CD1 3.47Å; S353-Y436 WeakPolarHBondContact OG-CE1 3.48Å
354W96.7Very high94.9Very high1 Ų114.4 Ų14.40%0.0048%0.078CC..Iπ-helixtrans-59.3-41.8173.9165.555.6000111.5F295 D319 G323 L324 L327 I350 L351 I352 F358 R359 L375F295-W354 HydrophobicContact CD1-CB 4.3Å; F295-W354 HydrophobicContact CD2-CB 4.35Å; F295-W354 HydrophobicContact CE1-CB 3.83Å; F295-W354 AromaticContact CE1-CD1 3.95Å; F295-W354 HydrophobicContact CE1-CG 4.21Å; F295-W354 HydrophobicContact CE2-CB 3.87Å; F295-W354 HydrophobicContact CZ-CB 3.6Å; F295-W354 HydrophobicContact CZ-CG 4.31Å; D319-W354 VanDerWaalsContact OD1-CE2 3.24Å; D319-W354 WeakPolarHBondContact OD1-CZ2 3.42Å; D319-W354 PolarHBondContact OD1-NE1 3.3Å; G323-W354 VanDerWaalsContact CA-CD1 3.46Å; G323-W354 VanDerWaalsContact CA-CE2 3.43Å; L324-W354 HydrophobicContact CD2-CH2 3.9Å; L324-W354 HydrophobicContact CD2-CZ2 4.05Å; L324-W354 HydrophobicContact CG-CH2 4.44Å; L324-W354 HydrophobicContact CG-CZ2 4.18Å; L327-W354 HydrophobicContact CB-CZ3 4.08Å; I350-W354 WeakPolarHBondContact O-CB 3.26Å; I350-W354 PolarHBondContact O-N 3.08Å; L351-W354 HydrophobicContact CD1-CE3 3.8Å; L351-W354 HydrophobicContact CD1-CZ3 3.81Å; L351-W354 PolarHBondContact O-N 3Å; I352-W354 VanDerWaalsContact C-N 3.33Å; I352-W354 PolarHBondContact O-N 2.72Å; W354-F358 AromaticContact CD1-CD1 3.9Å; W354-F358 WeakPolarHBondContact O-CB 3.38Å; W354-R359 VanDerWaalsContact CZ2-NH1 3.28Å; W354-R359 WeakPolarHBondContact O-CB 3.42Å; W354-R359 PolarHBondContact O-N 3.42Å; W354-L375 HydrophobicContact CH2-CD1 4.41Å; W354-L375 HydrophobicContact CH2-CD2 3.87Å
355I95.6Very high94.6Very high4 Ų419.5 Ų19.52%0.02111%0.105CC..Iπ-helixtrans-70.3-54.6178.4-67167000111.1L351 I352 S353 N360 W404 I405 F408 F409L351-I355 HydrophobicContact CD1-CD1 4.12Å; L351-I355 HydrophobicContact CG-CD1 4.32Å; L351-I355 WeakPolarHBondContact O-CG1 3.45Å; L351-I355 PolarHBondContact O-N 2.85Å; I352-I355 PolarHBondContact O-N 2.69Å; I352-I355 VanDerWaalsContact O-N 3.14Å; S353-I355 VanDerWaalsContact C-N 3.28Å; S353-I355 PolarHBondContact O-N 3.1Å; I355-N360 VanDerWaalsContact O-CB 3.25Å; I355-N360 WeakPolarHBondContact O-CB 3.48Å; I355-N360 PolarHBondContact O-N 3.27Å; I355-W404 HydrophobicContact CB-CH2 3.95Å; I355-W404 HydrophobicContact CD1-CH2 4.14Å; I355-W404 HydrophobicContact CD1-CZ3 3.99Å; I355-W404 HydrophobicContact CG2-CH2 3.77Å; I355-W404 HydrophobicContact CG2-CZ2 4.45Å; I355-I405 HydrophobicContact CD1-CD1 4.29Å; I355-I405 HydrophobicContact CD1-CG1 4.21Å; I355-F408 HydrophobicContact CG2-CD1 3.57Å; I355-F408 HydrophobicContact CG2-CE1 3.29Å; I355-F408 HydrophobicContact CG2-CG 4.31Å; I355-F408 HydrophobicContact CG2-CZ 3.8Å; I355-F409 HydrophobicContact CD1-CE2 4.22Å; I355-F409 HydrophobicContact CD1-CZ 4.41Å; I355-F409 HydrophobicContact CG1-CZ 4.3Å; I355-F409 HydrophobicContact CG2-CE1 4.49Å; I355-F409 HydrophobicContact CG2-CE2 4.41Å; I355-F409 HydrophobicContact CG2-CZ 3.85Å
356I95.2Very high94.4Very high6 Ų621 Ų213%0.03111%0.113CC..Iπ-helixtrans-77.3-46.7-172.9-75.3174.9000112.7I352 P361 W404 F408 Y436 F437 P439I352-I356 HydrophobicContact CG2-CD1 3.86Å; I352-I356 PolarHBondContact O-N 3Å; I356-P361 WeakPolarHBondContact O-CD 3.34Å; I356-P361 WeakPolarHBondContact O-CG 3.43Å; I356-W404 HydrophobicContact CD1-CH2 3.96Å; I356-W404 HydrophobicContact CD1-CZ2 3.24Å; I356-W404 HydrophobicContact CG1-CH2 3.94Å; I356-W404 HydrophobicContact CG1-CZ2 3.49Å; I356-W404 VanDerWaalsContact CG1-CZ2 3.49Å; I356-F408 HydrophobicContact CG1-CE2 3.9Å; I356-F408 HydrophobicContact CG1-CZ 4.33Å; I356-Y436 WeakPolarHBondContact CD1-O 3.2Å; I356-F437 VanDerWaalsContact CD1-C 3.42Å; I356-F437 WeakPolarHBondContact CD1-O 3.47Å; I356-P439 HydrophobicContact CG2-CB 4.24Å; I356-P439 HydrophobicContact CG2-CG 4.26Å
357D95.1Very high93.9Very high2 Ų225.8 Ų25.81%0.01115%0.147CC..Iπ-helixtrans-91.9-12.4-167.9-59.9-41.7000112.9R292 F295 N296 S353R292-D357 WeakPolarHBondContact CB-OD2 3.24Å; R292-D357 VanDerWaalsContact CG-OD2 3.25Å; R292-D357 WeakPolarHBondContact CG-OD2 3.42Å; R292-D357 IonicContact CZ-OD1 3.56Å; R292-D357 IonicContact CZ-OD2 3.12Å; R292-D357 IonicContact NE-OD1 2.89Å; R292-D357 PolarHBondContact NE-OD1 3.17Å; R292-D357 IonicContact NE-OD2 2.83Å; R292-D357 PolarHBondContact NE-OD2 3.41Å; R292-D357 IonicContact NH2-OD1 3.35Å; R292-D357 PolarHBondContact NH2-OD1 3.27Å; R292-D357 IonicContact NH2-OD2 3.14Å; F295-D357 HydrophobicContact CB-CB 4.23Å; N296-D357 WeakPolarHBondContact CA-O 3.32Å; N296-D357 HydrophobicContact CB-CB 4.17Å; S353-D357 WeakPolarHBondContact CB-OD2 2.97Å; S353-D357 WeakPolarHBondContact O-CA 3.17Å; S353-D357 WeakPolarHBondContact O-CB 3.48Å; S353-D357 PolarHBondContact O-N 3.39Å
358F96.3Very high93.5Very high0 Ų026.1 Ų26.10%015%0.149CC..Iπ-helixtrans-127.6-67.1-179.4177.8-99.9000113F295 F298 F299 V302 A315 V318 D319 W354 N360 P361 V362 L370F295-F358 HydrophobicContact CB-CB 4.01Å; F295-F358 HydrophobicContact CD1-CB 3.99Å; F295-F358 HydrophobicContact CD1-CG 4.34Å; F295-F358 HydrophobicContact CG-CB 4.35Å; F298-F358 HydrophobicContact CB-CD2 3.89Å; F298-F358 HydrophobicContact CB-CE2 3.81Å; F299-F358 HydrophobicContact CB-CD2 4.12Å; V302-F358 HydrophobicContact CG2-CE2 4.23Å; A315-F358 HydrophobicContact CB-CZ 4.43Å; V318-F358 HydrophobicContact CB-CE1 4.01Å; V318-F358 HydrophobicContact CB-CE2 4.03Å; V318-F358 HydrophobicContact CB-CZ 3.51Å; V318-F358 HydrophobicContact CG1-CD1 4.12Å; V318-F358 HydrophobicContact CG1-CD2 4.12Å; V318-F358 HydrophobicContact CG1-CE1 3.67Å; V318-F358 HydrophobicContact CG1-CE2 3.68Å; V318-F358 HydrophobicContact CG1-CG 4.32Å; V318-F358 HydrophobicContact CG1-CZ 3.42Å; V318-F358 VanDerWaalsContact CG1-CZ 3.42Å; V318-F358 HydrophobicContact CG2-CE2 4.5Å; V318-F358 HydrophobicContact CG2-CZ 4.35Å; D319-F358 HydrophobicContact CB-CE1 4.48Å; W354-F358 AromaticContact CD1-CD1 3.9Å; W354-F358 WeakPolarHBondContact O-CB 3.38Å; F358-N360 PolarHBondContact O-N 3.12Å; F358-P361 WeakPolarHBondContact O-CD 3.5Å; F358-V362 HydrophobicContact CD2-CG2 4.14Å; F358-V362 HydrophobicContact CE2-CG2 3.93Å; F358-V362 HydrophobicContact CZ-CG2 4.15Å; F358-V362 WeakPolarHBondContact O-CB 3.27Å; F358-V362 WeakPolarHBondContact O-CG2 3.38Å; F358-V362 PolarHBondContact O-N 2.85Å; F358-L370 HydrophobicContact CE1-CD1 4.37Å
359R94.3Very high92.9Very high2 Ų231.9 Ų31.91%0.00818%0.18CC..Iπ-helixtrans-63.2-47.9-168.5-171.4175.4-174.4116.8-1.4112.7D319 W354 R363 L370 S371D319-R359 IonicContact OD1-CZ 2.88Å; D319-R359 IonicContact OD1-NH1 3.46Å; D319-R359 PolarHBondContact OD1-NH1 2.8Å; D319-R359 IonicContact OD2-CZ 3.61Å; D319-R359 IonicContact OD2-NH1 3.91Å; D319-R359 PolarHBondContact OD2-NH1 3.45Å; W354-R359 VanDerWaalsContact CZ2-NH1 3.28Å; W354-R359 WeakPolarHBondContact O-CB 3.42Å; W354-R359 PolarHBondContact O-N 3.42Å; R359-R363 WeakPolarHBondContact O-CB 3.32Å; R359-R363 PolarHBondContact O-N 2.83Å; R359-L370 HydrophobicContact CB-CD1 4.46Å; R359-L370 HydrophobicContact CG-CB 4.35Å; R359-L370 HydrophobicContact CG-CD1 3.81Å; R359-L370 PolarHBondContact NH2-O 3.36Å; R359-S371 PolarHBondContact NH2-O 3.41Å
360N92.9Very high92.4Very high58 Ų5831.6 Ų31.631%0.3118%0.179SC..Hα-helixtrans-66.5-48-180-178.657.8000112.5I355 F358 V362 R363 A364 F408I355-N360 VanDerWaalsContact O-CB 3.25Å; I355-N360 WeakPolarHBondContact O-CB 3.48Å; I355-N360 PolarHBondContact O-N 3.27Å; F358-N360 PolarHBondContact O-N 3.12Å; N360-V362 PolarHBondContact O-N 2.98Å; N360-R363 PolarHBondContact O-N 3.4Å; N360-A364 VanDerWaalsContact O-CB 3.27Å; N360-A364 WeakPolarHBondContact O-CB 3.37Å; N360-A364 PolarHBondContact O-N 2.93Å; N360-F408 HydrophobicContact CB-CE1 4.02Å; N360-F408 HydrophobicContact CB-CZ 3.59Å
361P93.1Very high91.7Very high20 Ų2034 Ų3413%0.1320%0.195CC..Hα-helixtrans-58.1-42.4172.8-28.635.1000113.7F299 I356 F358 R363 N365F299-P361 HydrophobicContact CD1-CB 4.01Å; F299-P361 HydrophobicContact CD2-CB 3.56Å; F299-P361 HydrophobicContact CE1-CB 3.95Å; F299-P361 VanDerWaalsContact CE2-C 3.48Å; F299-P361 HydrophobicContact CE2-CB 3.48Å; F299-P361 VanDerWaalsContact CE2-CB 3.48Å; F299-P361 WeakPolarHBondContact CE2-O 3.37Å; F299-P361 HydrophobicContact CG-CB 3.83Å; F299-P361 HydrophobicContact CZ-CB 3.7Å; I356-P361 WeakPolarHBondContact O-CD 3.34Å; I356-P361 WeakPolarHBondContact O-CG 3.43Å; F358-P361 WeakPolarHBondContact O-CD 3.5Å; P361-R363 VanDerWaalsContact C-N 3.32Å; P361-R363 PolarHBondContact O-N 2.73Å; P361-N365 VanDerWaalsContact O-CB 3.23Å; P361-N365 WeakPolarHBondContact O-CB 3.27Å; P361-N365 PolarHBondContact O-N 3.43Å
362V93.5Very high90.9Very high0 Ų036.3 Ų36.30%020%0.204CC..Hα-helixtrans-58.4-44.9175.8166.50000110.9F299 V302 A315 F358 N360 L366 I368 L370F299-V362 HydrophobicContact CD2-CG2 3.79Å; V302-V362 HydrophobicContact CG1-CG2 4.48Å; A315-V362 HydrophobicContact CB-CG1 4.1Å; F358-V362 HydrophobicContact CD2-CG2 4.14Å; F358-V362 HydrophobicContact CE2-CG2 3.93Å; F358-V362 HydrophobicContact CZ-CG2 4.15Å; F358-V362 WeakPolarHBondContact O-CB 3.27Å; F358-V362 WeakPolarHBondContact O-CG2 3.38Å; F358-V362 PolarHBondContact O-N 2.85Å; N360-V362 PolarHBondContact O-N 2.98Å; V362-L366 WeakPolarHBondContact O-CA 3.27Å; V362-L366 VanDerWaalsContact O-CB 3.29Å; V362-L366 WeakPolarHBondContact O-CB 3.49Å; V362-L366 PolarHBondContact O-N 3.27Å; V362-I368 HydrophobicContact CG1-CB 3.72Å; V362-I368 HydrophobicContact CG1-CD1 4.2Å; V362-I368 HydrophobicContact CG1-CG1 4.49Å; V362-I368 HydrophobicContact CG1-CG2 3.98Å; V362-L370 HydrophobicContact CB-CD1 4.46Å; V362-L370 HydrophobicContact CG1-CD1 4.02Å
363R91.2Very high89.9Confident106 Ų10642.4 Ų42.440%0.424%0.237SC..Hα-helixtrans-70.7-49.5179-178.6-176163.798.50.7112.3R359 N360 P361 S367 N369 Y372R359-R363 WeakPolarHBondContact O-CB 3.32Å; R359-R363 PolarHBondContact O-N 2.83Å; N360-R363 PolarHBondContact O-N 3.4Å; P361-R363 VanDerWaalsContact C-N 3.32Å; P361-R363 PolarHBondContact O-N 2.73Å; R363-S367 VanDerWaalsContact O-CA 3.3Å; R363-S367 WeakPolarHBondContact O-CA 3.33Å; R363-S367 PolarHBondContact O-N 2.88Å; R363-S367 VanDerWaalsContact O-N 3.13Å; R363-N369 PolarHBondContact NH1-OD1 3.3Å; R363-Y372 VanDerWaalsContact CD-OH 3.29Å; R363-Y372 WeakPolarHBondContact CD-OH 3.47Å
364A88.9Confident89.1Confident64 Ų6449.1 Ų49.153%0.52927%0.268SS..Hα-helixtrans-69.5-42.6-17400000112.3N360N360-A364 VanDerWaalsContact O-CB 3.27Å; N360-A364 WeakPolarHBondContact O-CB 3.37Å; N360-A364 PolarHBondContact O-N 2.93Å
365N88.3Confident88.9Confident108 Ų10849.2 Ų49.258%0.57827%0.269SS*.Hα-helixtrans-94.5-28.3-171.9-60.6-11.4000113F299 P361F299-N365 HydrophobicContact CE2-CB 4.36Å; F299-N365 HydrophobicContact CZ-CB 4.26Å; P361-N365 VanDerWaalsContact O-CB 3.23Å; P361-N365 WeakPolarHBondContact O-CB 3.27Å; P361-N365 PolarHBondContact O-N 3.43Å
366L88.6Confident88.7Confident49 Ų4952.2 Ų52.226%0.25728%0.284SS..Hα-helixtrans-114-2.8-175.7-51.6174.8000113.6F299 V302 V362 I368F299-L366 HydrophobicContact CE2-CD1 4.36Å; V302-L366 HydrophobicContact CB-CD1 4.27Å; V302-L366 HydrophobicContact CG1-CD1 3.51Å; V362-L366 WeakPolarHBondContact O-CA 3.27Å; V362-L366 VanDerWaalsContact O-CB 3.29Å; V362-L366 WeakPolarHBondContact O-CB 3.49Å; V362-L366 PolarHBondContact O-N 3.27Å; L366-I368 HydrophobicContact CB-CD1 3.94Å; L366-I368 HydrophobicContact CB-CG1 4.01Å; L366-I368 HydrophobicContact CD1-CD1 4.11Å; L366-I368 PolarHBondContact O-N 2.97Å; L366-I368 VanDerWaalsContact O-N 3.07Å
367S86Confident88.6Confident106 Ų10655.7 Ų55.774%0.74131%0.307SS*.  trans55.722-176.9-55.20000114.3R363 N369R363-S367 VanDerWaalsContact O-CA 3.3Å; R363-S367 WeakPolarHBondContact O-CA 3.33Å; R363-S367 PolarHBondContact O-N 2.88Å; R363-S367 VanDerWaalsContact O-N 3.13Å; S367-N369 PolarHBondContact O-N 3.42Å
368I87.4Confident88.5Confident9 Ų957.7 Ų57.75%0.04632%0.318CS..  trans-80.2115.8175.8-64170.8000108V302 L308 S311 T312 A315 V362 L366 L370V302-I368 HydrophobicContact CG1-CD1 3.83Å; L308-I368 HydrophobicContact CD1-CG1 4.24Å; S311-I368 WeakPolarHBondContact OG-CD1 3.2Å; T312-I368 HydrophobicContact CG2-CD1 4.23Å; T312-I368 HydrophobicContact CG2-CG1 4Å; T312-I368 HydrophobicContact CG2-CG2 4.01Å; A315-I368 HydrophobicContact CB-CD1 4.49Å; A315-I368 HydrophobicContact CB-CG2 4.2Å; V362-I368 HydrophobicContact CG1-CB 3.72Å; V362-I368 HydrophobicContact CG1-CD1 4.2Å; V362-I368 HydrophobicContact CG1-CG1 4.49Å; V362-I368 HydrophobicContact CG1-CG2 3.98Å; L366-I368 HydrophobicContact CB-CD1 3.94Å; L366-I368 HydrophobicContact CB-CG1 4.01Å; L366-I368 HydrophobicContact CD1-CD1 4.11Å; L366-I368 PolarHBondContact O-N 2.97Å; L366-I368 VanDerWaalsContact O-N 3.07Å; I368-L370 PolarHBondContact O-N 2.88Å
369N84.8Confident88.4Confident121 Ų12157.9 Ų57.965%0.64732%0.319SS*.  trans-84.699.3-175.1-16518.6000111.6R363 S367R363-N369 PolarHBondContact NH1-OD1 3.3Å; S367-N369 PolarHBondContact O-N 3.42Å
370L86.3Confident88.4Confident8 Ų862.2 Ų62.24%0.04234%0.342CS..  trans-86.8107.5167.6-61.7171.2000108.6T316 D319 F358 R359 V362 I368 Y372T316-L370 HydrophobicContact CG2-CD2 4.36Å; D319-L370 HydrophobicContact CB-CD2 4.18Å; F358-L370 HydrophobicContact CE1-CD1 4.37Å; R359-L370 HydrophobicContact CB-CD1 4.46Å; R359-L370 HydrophobicContact CG-CB 4.35Å; R359-L370 HydrophobicContact CG-CD1 3.81Å; R359-L370 PolarHBondContact NH2-O 3.36Å; V362-L370 HydrophobicContact CB-CD1 4.46Å; V362-L370 HydrophobicContact CG1-CD1 4.02Å; I368-L370 PolarHBondContact O-N 2.88Å; L370-Y372 PolarHBondContact O-N 2.93Å
371S81.1Confident88.5Confident49 Ų4963 Ų6334%0.34335%0.346SS..  trans-57.9129.9-172168.30000113.4R359 D373R359-S371 PolarHBondContact NH2-O 3.41Å; S371-D373 WeakPolarHBondContact OG-CB 3.47Å; S371-D373 PolarHBondContact OG-N 3.05Å; S371-D373 VanDerWaalsContact OG-N 3.09Å; S371-D373 PolarHBondContact OG-OD2 3.44Å
372Y80.2Confident88.6Confident49 Ų4962 Ų6219%0.19234%0.34CS..  trans-84.3-7.5174.2-63.5-46.3000114R363 L370 H374 L375 F409R363-Y372 VanDerWaalsContact CD-OH 3.29Å; R363-Y372 WeakPolarHBondContact CD-OH 3.47Å; L370-Y372 PolarHBondContact O-N 2.93Å; Y372-H374 PolarHBondContact O-N 3.1Å; Y372-L375 HydrophobicContact CD1-CD1 3.69Å; Y372-L375 HydrophobicContact CD1-CG 4.49Å; Y372-L375 HydrophobicContact CE1-CD1 4.34Å; Y372-L375 PolarHBondContact O-N 3.06Å; Y372-F409 HydrophobicContact CD1-CD1 4.26Å; Y372-F409 AromaticContact CD1-CE1 3.89Å; Y372-F409 HydrophobicContact CD1-CE1 3.89Å; Y372-F409 HydrophobicContact CD1-CZ 4.33Å; Y372-F409 AromaticContact CE1-CD1 3.75Å; Y372-F409 HydrophobicContact CE1-CD1 3.75Å; Y372-F409 AromaticContact CE1-CE1 3.16Å; Y372-F409 HydrophobicContact CE1-CE1 3.16Å; Y372-F409 AromaticContact CE1-CZ 3.85Å; Y372-F409 HydrophobicContact CE1-CZ 3.85Å; Y372-F409 HydrophobicContact CE2-CD1 4.18Å; Y372-F409 HydrophobicContact CE2-CE1 4.34Å; Y372-F409 AromaticContact CZ-CD1 3.69Å; Y372-F409 AromaticContact CZ-CE1 3.43Å; Y372-F409 VanDerWaalsContact CZ-CE1 3.43Å; Y372-F409 WeakPolarHBondContact OH-CE1 3.3Å
373D75.2Confident88.7Confident129 Ų12962.7 Ų62.769%0.6934%0.343SS*.THydrogen-bonded Turntrans-60.4-26.1-167.1-56.5-32.8000112.5S371S371-D373 WeakPolarHBondContact OG-CB 3.47Å; S371-D373 PolarHBondContact OG-N 3.05Å; S371-D373 VanDerWaalsContact OG-N 3.09Å; S371-D373 PolarHBondContact OG-OD2 3.44Å
374H80.9Confident88.8Confident141 Ų14161 Ų6165%0.65335%0.348SS*.THydrogen-bonded Turntrans-98-7.1179.6-53.9-50000114.2Y372Y372-H374 PolarHBondContact O-N 3.1Å
375L91.7Very high89.1Confident3 Ų359.4 Ų59.42%0.01633%0.33CS..Hα-helixtrans-83.4-42.9-176.4-57.1-168000112.7L324 L327 W354 Y372 D378 V379 F409 W411L324-L375 HydrophobicContact CD2-CD2 3.57Å; L327-L375 HydrophobicContact CD2-CB 4.22Å; L327-L375 HydrophobicContact CD2-CD2 3.69Å; L327-L375 HydrophobicContact CD2-CG 4.48Å; W354-L375 HydrophobicContact CH2-CD1 4.41Å; W354-L375 HydrophobicContact CH2-CD2 3.87Å; Y372-L375 HydrophobicContact CD1-CD1 3.69Å; Y372-L375 HydrophobicContact CD1-CG 4.49Å; Y372-L375 HydrophobicContact CE1-CD1 4.34Å; Y372-L375 PolarHBondContact O-N 3.06Å; L375-D378 PolarHBondContact O-N 3.32Å; L375-D378 VanDerWaalsContact O-N 3.15Å; L375-V379 WeakPolarHBondContact O-CG2 3.5Å; L375-V379 PolarHBondContact O-N 3.05Å; L375-F409 HydrophobicContact CD1-CE2 4.39Å; L375-F409 HydrophobicContact CD1-CZ 4.21Å; L375-W411 HydrophobicContact CB-CH2 4.08Å; L375-W411 HydrophobicContact CB-CZ2 4.27Å
376L91.5Very high89.4Confident67 Ų6754.3 Ų54.335%0.35130%0.303SS..Hα-helixtrans-56.7-46.6-174.2175.967.2000112.4D378 V379 L380 W411L376-D378 VanDerWaalsContact C-N 3.35Å; L376-D378 PolarHBondContact O-N 2.85Å; L376-V379 PolarHBondContact O-N 2.95Å; L376-L380 HydrophobicContact CD1-CD1 3.8Å; L376-L380 HydrophobicContact CD1-CD2 4.24Å; L376-L380 HydrophobicContact CD1-CG 3.77Å; L376-L380 HydrophobicContact CG-CD1 3.94Å; L376-L380 HydrophobicContact CG-CG 4.27Å; L376-L380 WeakPolarHBondContact O-CB 3.44Å; L376-L380 WeakPolarHBondContact O-CG 3.47Å; L376-L380 PolarHBondContact O-N 3.23Å; L376-W411 HydrophobicContact CB-CH2 4.02Å; L376-W411 HydrophobicContact CB-CZ2 3.99Å; L376-W411 HydrophobicContact CB-CZ3 4.32Å; L376-W411 HydrophobicContact CD1-CD2 3.62Å; L376-W411 HydrophobicContact CD1-CE3 3.33Å; L376-W411 HydrophobicContact CD1-CG 4.2Å; L376-W411 HydrophobicContact CD1-CH2 4.19Å; L376-W411 HydrophobicContact CD1-CZ2 4.44Å; L376-W411 HydrophobicContact CD1-CZ3 3.64Å
377P92.4Very high89.6Confident79 Ų7955 Ų5551%0.51331%0.306SS..Hα-helixtrans-59.7-43.5176.6-23.634.9000112.8N381P377-N381 WeakPolarHBondContact O-CB 3.47Å; P377-N381 PolarHBondContact O-N 3.14Å
378D93.9Very high89.8Confident44 Ų4450.5 Ų50.524%0.23528%0.278CS..Hα-helixtrans-66.5-39179.2-78.1-21.5000111.8L327 S331 L375 L376 G382L327-D378 HydrophobicContact CD1-CB 4.31Å; L327-D378 HydrophobicContact CD2-CB 3.75Å; L327-D378 HydrophobicContact CG-CB 3.82Å; S331-D378 WeakPolarHBondContact CB-O 3.28Å; L375-D378 PolarHBondContact O-N 3.32Å; L375-D378 VanDerWaalsContact O-N 3.15Å; L376-D378 VanDerWaalsContact C-N 3.35Å; L376-D378 PolarHBondContact O-N 2.85Å; D378-G382 PolarHBondContact O-N 3.32Å
379V94.9Very high89.9Confident3 Ų350.4 Ų50.42%0.01828%0.278CS..Hα-helixtrans-67.3-49176.6173.50000110.8L327 L375 L376 N381 G382 I383 I405 W411L327-V379 HydrophobicContact CD1-CG2 3.72Å; L327-V379 HydrophobicContact CD2-CG2 4.24Å; L375-V379 WeakPolarHBondContact O-CG2 3.5Å; L375-V379 PolarHBondContact O-N 3.05Å; L376-V379 PolarHBondContact O-N 2.95Å; V379-N381 VanDerWaalsContact C-N 3.34Å; V379-N381 PolarHBondContact O-N 2.94Å; V379-G382 CarbonylContact O-C 3.57Å; V379-G382 PolarHBondContact O-N 3Å; V379-G382 VanDerWaalsContact O-N 3.12Å; V379-I383 HydrophobicContact CG1-CD1 3.84Å; V379-I383 HydrophobicContact CG1-CG1 4.28Å; V379-I383 WeakPolarHBondContact O-CG1 3.32Å; V379-I383 PolarHBondContact O-N 3.23Å; V379-I405 HydrophobicContact CG1-CB 4.38Å; V379-I405 HydrophobicContact CG1-CD1 4.48Å; V379-I405 HydrophobicContact CG1-CG2 3.88Å; V379-I405 HydrophobicContact CG2-CD1 4.43Å; V379-I405 HydrophobicContact CG2-CG2 3.94Å; V379-W411 HydrophobicContact CB-CH2 4.18Å; V379-W411 HydrophobicContact CB-CZ3 3.75Å; V379-W411 HydrophobicContact CG1-CZ3 3.81Å; V379-W411 HydrophobicContact CG2-CH2 3.88Å; V379-W411 HydrophobicContact CG2-CZ3 3.87Å
380L93.5Very high90Very high94 Ų9445.8 Ų45.849%0.49225%0.254SS..Hα-helixtrans-62.1-42.8178.7-68.3179.1000111.5L376 G382 I383 S384L376-L380 HydrophobicContact CD1-CD1 3.8Å; L376-L380 HydrophobicContact CD1-CD2 4.24Å; L376-L380 HydrophobicContact CD1-CG 3.77Å; L376-L380 HydrophobicContact CG-CD1 3.94Å; L376-L380 HydrophobicContact CG-CG 4.27Å; L376-L380 WeakPolarHBondContact O-CB 3.44Å; L376-L380 WeakPolarHBondContact O-CG 3.47Å; L376-L380 PolarHBondContact O-N 3.23Å; L380-G382 VanDerWaalsContact C-N 3.32Å; L380-G382 PolarHBondContact O-N 3.07Å; L380-I383 PolarHBondContact O-N 3.44Å; L380-S384 WeakPolarHBondContact O-CB 3.17Å; L380-S384 PolarHBondContact O-N 2.66Å
381N94.4Very high90.1Very high74 Ų7446 Ų4640%0.39626%0.255SS..Hα-helixtrans-60-43.5172.9179.957.1000111.1S331 P377 V379 S384 N385S331-N381 PolarHBondContact O-ND2 3.39Å; P377-N381 WeakPolarHBondContact O-CB 3.47Å; P377-N381 PolarHBondContact O-N 3.14Å; V379-N381 VanDerWaalsContact C-N 3.34Å; V379-N381 PolarHBondContact O-N 2.94Å; N381-S384 PolarHBondContact O-N 3.13Å; N381-N385 PolarHBondContact ND2-ND2 2.91Å; N381-N385 WeakPolarHBondContact O-CB 3.45Å; N381-N385 VanDerWaalsContact O-CG 3.22Å; N381-N385 PolarHBondContact O-N 2.69Å; N381-N385 PolarHBondContact O-ND2 3.43Å; N381-N385 PolarHBondContact OD1-ND2 2.94Å
382G95.6Very high90.6Very high0 Ų047 Ų470%026%0.255CS..Hα-helixtrans-64.5-44.1177.200000113.4D378 V379 L380 S384 N385 H386D378-G382 PolarHBondContact O-N 3.32Å; V379-G382 CarbonylContact O-C 3.57Å; V379-G382 PolarHBondContact O-N 3Å; V379-G382 VanDerWaalsContact O-N 3.12Å; L380-G382 VanDerWaalsContact C-N 3.32Å; L380-G382 PolarHBondContact O-N 3.07Å; G382-S384 VanDerWaalsContact C-N 3.34Å; G382-S384 PolarHBondContact O-N 3.5Å; G382-N385 PolarHBondContact O-N 2.95Å; G382-H386 PolarHBondContact O-N 2.94Å; G382-H386 PolarHBondContact O-ND1 3.07Å
383I95.5Very high91.1Very high13 Ų1347 Ų477%0.06726%0.257CS..Hα-helixtrans-58-50.1174.1-66.3169.3000109.5W330 V379 L380 N385 H386 L387 V406 L420 F422W330-I383 HydrophobicContact CH2-CG1 4.03Å; V379-I383 HydrophobicContact CG1-CD1 3.84Å; V379-I383 HydrophobicContact CG1-CG1 4.28Å; V379-I383 WeakPolarHBondContact O-CG1 3.32Å; V379-I383 PolarHBondContact O-N 3.23Å; L380-I383 PolarHBondContact O-N 3.44Å; I383-N385 PolarHBondContact O-N 3.44Å; I383-H386 PolarHBondContact O-N 3.19Å; I383-L387 HydrophobicContact CG2-CD1 3.8Å; I383-L387 HydrophobicContact CG2-CG 4.25Å; I383-L387 WeakPolarHBondContact O-CB 3.2Å; I383-L387 VanDerWaalsContact O-CG 3.28Å; I383-L387 WeakPolarHBondContact O-CG 3.35Å; I383-L387 PolarHBondContact O-N 3.42Å; I383-V406 HydrophobicContact CD1-CG2 4.22Å; I383-L420 HydrophobicContact CD1-CD2 4.44Å; I383-F422 HydrophobicContact CG2-CZ 4.29Å
384S94.2Very high92Very high72 Ų7240.9 Ų40.950%0.50322%0.224SC..Hα-helixtrans-56.5-48.1178.1-174.20000112.3L380 N381 G382 H386 L387 G388L380-S384 WeakPolarHBondContact O-CB 3.17Å; L380-S384 PolarHBondContact O-N 2.66Å; N381-S384 PolarHBondContact O-N 3.13Å; G382-S384 VanDerWaalsContact C-N 3.34Å; G382-S384 PolarHBondContact O-N 3.5Å; S384-H386 PolarHBondContact O-N 3.44Å; S384-L387 PolarHBondContact O-N 3.09Å; S384-G388 PolarHBondContact O-N 3.38Å
385N93.7Very high92.7Very high30 Ų3037.5 Ų37.516%0.1621%0.206CC..Hα-helixtrans-66.3-35.6-179.5-70.3-26.6000113S331 I333 I336 N381 G382 I383 S389S331-N385 PolarHBondContact O-ND2 3Å; I333-N385 HydrophobicContact CD1-CB 4.13Å; I336-N385 HydrophobicContact CD1-CB 3.62Å; N381-N385 PolarHBondContact ND2-ND2 2.91Å; N381-N385 WeakPolarHBondContact O-CB 3.45Å; N381-N385 VanDerWaalsContact O-CG 3.22Å; N381-N385 PolarHBondContact O-N 2.69Å; N381-N385 PolarHBondContact O-ND2 3.43Å; N381-N385 PolarHBondContact OD1-ND2 2.94Å; G382-N385 PolarHBondContact O-N 2.95Å; I383-N385 PolarHBondContact O-N 3.44Å; N385-S389 PolarHBondContact O-N 3.32Å
386H95.7Very high92.9Very high0 Ų037.3 Ų37.30%021%0.205CC..Hα-helixtrans-68.6-45.5173.4-75.883.3000111.9W330 R344 G382 I383 S384 G388 S389 I394 R395W330-H386 AromaticContact CD1-CE1 3.8Å; W330-H386 AromaticContact CD1-NE2 3.96Å; W330-H386 AromaticContact CD2-CE1 3.62Å; W330-H386 AromaticContact CE2-CE1 3.2Å; W330-H386 AromaticContact CE2-ND1 3.93Å; W330-H386 AromaticContact CE2-NE2 3.76Å; W330-H386 AromaticContact CG-CE1 3.99Å; W330-H386 AromaticContact CZ2-CE1 3.51Å; W330-H386 AromaticContact CZ2-ND1 3.79Å; W330-H386 AromaticContact NE1-CE1 3.31Å; W330-H386 PolarHBondContact NE1-CE1 3.26Å; W330-H386 VanDerWaalsContact NE1-CE1 3.31Å; W330-H386 AromaticContact NE1-NE2 3.41Å; W330-H386 PolarHBondContact NE1-NE2 3.25Å; W330-H386 PolarHBondContact O-CE1 3.35Å; R344-H386 PolarHBondContact NH2-CE1 3.33Å; R344-H386 PolarHBondContact NH2-NE2 2.95Å; G382-H386 PolarHBondContact O-N 2.94Å; G382-H386 PolarHBondContact O-ND1 3.07Å; I383-H386 PolarHBondContact O-N 3.19Å; S384-H386 PolarHBondContact O-N 3.44Å; H386-G388 PolarHBondContact O-N 2.91Å; H386-S389 VanDerWaalsContact O-CB 3.24Å; H386-S389 WeakPolarHBondContact O-CB 3.46Å; H386-S389 PolarHBondContact O-N 3.44Å; H386-I394 HydrophobicContact CB-CG2 4.44Å; H386-I394 PolarHBondContact CD2-O 2.79Å; H386-R395 WeakPolarHBondContact O-CG 3.49Å
387L93.3Very high93.1Very high63 Ų6334.1 Ų34.133%0.3319%0.188SC..Hα-helixtrans-61.4-34.1177.6-70.9178.5000111.9I383 S384 S389 R395 M399 F422I383-L387 HydrophobicContact CG2-CD1 3.8Å; I383-L387 HydrophobicContact CG2-CG 4.25Å; I383-L387 WeakPolarHBondContact O-CB 3.2Å; I383-L387 VanDerWaalsContact O-CG 3.28Å; I383-L387 WeakPolarHBondContact O-CG 3.35Å; I383-L387 PolarHBondContact O-N 3.42Å; S384-L387 PolarHBondContact O-N 3.09Å; L387-S389 PolarHBondContact O-N 2.9Å; L387-R395 VanDerWaalsContact O-CD 3.24Å; L387-R395 WeakPolarHBondContact O-CD 3.17Å; L387-M399 HydrophobicContact CD2-CG 3.44Å; L387-M399 VanDerWaalsContact CD2-CG 3.44Å; L387-M399 HydrophobicContact CD2-SD 3.99Å; L387-F422 HydrophobicContact CD1-CE1 4.06Å; L387-F422 HydrophobicContact CD1-CZ 4.04Å
388G89Confident93.3Very high13 Ų1330.4 Ų30.413%0.13416%0.164CC..THydrogen-bonded Turntrans-66.7-18.3173.800000114S384 H386 H715S384-G388 PolarHBondContact O-N 3.38Å; H386-G388 PolarHBondContact O-N 2.91Å; G388-H715 VanDerWaalsContact CA-CD2 3.46Å; G388-H715 WeakPolarHBondContact CA-CD2 3.4Å; G388-H715 VanDerWaalsContact O-CB 3.31Å; G388-H715 WeakPolarHBondContact O-CB 3.34Å; G388-H715 PolarHBondContact O-CD2 3.32Å
389S90.6Very high93.4Very high7 Ų729.1 Ų29.15%0.04916%0.156CC..  trans-66.5134.7-178.2-172.10000111.9N385 H386 L387 R391 R395N385-S389 PolarHBondContact O-N 3.32Å; H386-S389 VanDerWaalsContact O-CB 3.24Å; H386-S389 WeakPolarHBondContact O-CB 3.46Å; H386-S389 PolarHBondContact O-N 3.44Å; L387-S389 PolarHBondContact O-N 2.9Å; S389-R391 PolarHBondContact O-N 3.11Å; S389-R391 PolarHBondContact OG-N 3.41Å; S389-R395 VanDerWaalsContact O-CD 3.26Å; S389-R395 WeakPolarHBondContact O-CD 3.19Å; S389-R395 WeakPolarHBondContact O-CG 3.44Å; S389-R395 PolarHBondContact O-NH1 3.12Å
390P86.6Confident93.5Very high24 Ų2429.1 Ų29.116%0.15616%0.156CC..SBendtrans-68.6-13.6172.828.9-35.4000112.9R395 E760 A762P390-R395 PolarHBondContact O-NH1 3.25Å; P390-E760 VanDerWaalsContact CD-CD 3.44Å; P390-E760 WeakPolarHBondContact CD-OE1 3.5Å; P390-E760 HydrophobicContact CG-CG 3.69Å; P390-E760 WeakPolarHBondContact CG-OE1 3.48Å; P390-A762 HydrophobicContact CB-CB 4.04Å; P390-A762 HydrophobicContact CG-CB 3.57Å
391R88.1Confident93.6Very high13 Ų1324.6 Ų24.65%0.04913%0.133CC..  trans-83.3122.6179.2-62.1170.263.3-1754.2111S389 E393 I394 R395S389-R391 PolarHBondContact O-N 3.11Å; S389-R391 PolarHBondContact OG-N 3.41Å; R391-E393 VanDerWaalsContact C-N 3.26Å; R391-E393 PolarHBondContact O-N 3.16Å; R391-I394 HydrophobicContact CB-CB 4.13Å; R391-I394 HydrophobicContact CB-CG1 3.83Å; R391-I394 PolarHBondContact O-N 2.93Å; R391-R395 PolarHBondContact O-N 2.98Å; R391-R395 VanDerWaalsContact O-N 3.08Å
392I90.9Very high93.6Very high68 Ų6821.1 Ų21.135%0.34911%0.114SC..Hα-helixtrans-62.4-35.6-177.7-175.162.1000112I394 R395 T396 L427I392-I394 VanDerWaalsContact C-N 3.33Å; I392-I394 PolarHBondContact O-N 3.08Å; I392-R395 VanDerWaalsContact CD1-NH2 3.31Å; I392-R395 PolarHBondContact O-N 3.27Å; I392-T396 VanDerWaalsContact O-CB 3.31Å; I392-T396 WeakPolarHBondContact O-CB 3.18Å; I392-T396 PolarHBondContact O-N 3.33Å; I392-T396 PolarHBondContact O-OG1 2.89Å; I392-L427 HydrophobicContact CG1-CD1 4.46Å
393E92.5Very high93.6Very high51 Ų5122 Ų2224%0.23812%0.119CC..Hα-helixtrans-65.1-40.8-179.7-52.384.3171.500110.7L341 R391 L397 L427 F429L341-E393 HydrophobicContact CD1-CB 3.88Å; L341-E393 HydrophobicContact CD2-CB 3.91Å; L341-E393 HydrophobicContact CD2-CG 4.04Å; R391-E393 VanDerWaalsContact C-N 3.26Å; R391-E393 PolarHBondContact O-N 3.16Å; E393-L397 VanDerWaalsContact O-CB 3.24Å; E393-L397 WeakPolarHBondContact O-CB 3.25Å; E393-L397 PolarHBondContact O-N 3.06Å; E393-L427 HydrophobicContact CG-CD1 4.37Å; E393-F429 HydrophobicContact CB-CE1 3.74Å; E393-F429 HydrophobicContact CB-CZ 4.26Å; E393-F429 HydrophobicContact CG-CE1 4.17Å; E393-F429 WeakPolarHBondContact O-CZ 3.26Å
394I93.7Very high93.5Very high0 Ų022.9 Ų22.90%012%0.121CC..Hα-helixtrans-70.8-43.1178.7-59.7-58.8000110.9I336 L341 R344 H386 R391 I392 T396 L397 G398I336-I394 HydrophobicContact CG2-CG2 3.67Å; L341-I394 HydrophobicContact CD1-CD1 4.03Å; R344-I394 HydrophobicContact CG-CD1 4.21Å; H386-I394 HydrophobicContact CB-CG2 4.44Å; H386-I394 PolarHBondContact CD2-O 2.79Å; R391-I394 HydrophobicContact CB-CB 4.13Å; R391-I394 HydrophobicContact CB-CG1 3.83Å; R391-I394 PolarHBondContact O-N 2.93Å; I392-I394 VanDerWaalsContact C-N 3.33Å; I392-I394 PolarHBondContact O-N 3.08Å; I394-T396 PolarHBondContact O-N 3.17Å; I394-L397 PolarHBondContact O-N 2.91Å; I394-G398 PolarHBondContact O-N 2.83Å
395R94.7Very high93.5Very high69 Ų6919.4 Ų19.426%0.2610%0.097SC..Hα-helixtrans-59.2-48.5174.2-67.5-165-60.2-82.32.7111.2H386 L387 S389 P390 R391 I392 L397 G398 M399H386-R395 WeakPolarHBondContact O-CG 3.49Å; L387-R395 VanDerWaalsContact O-CD 3.24Å; L387-R395 WeakPolarHBondContact O-CD 3.17Å; S389-R395 VanDerWaalsContact O-CD 3.26Å; S389-R395 WeakPolarHBondContact O-CD 3.19Å; S389-R395 WeakPolarHBondContact O-CG 3.44Å; S389-R395 PolarHBondContact O-NH1 3.12Å; P390-R395 PolarHBondContact O-NH1 3.25Å; R391-R395 PolarHBondContact O-N 2.98Å; R391-R395 VanDerWaalsContact O-N 3.08Å; I392-R395 VanDerWaalsContact CD1-NH2 3.31Å; I392-R395 PolarHBondContact O-N 3.27Å; R395-L397 VanDerWaalsContact C-N 3.34Å; R395-L397 PolarHBondContact O-N 3.47Å; R395-G398 PolarHBondContact O-N 3.1Å; R395-G398 VanDerWaalsContact O-N 3.12Å; R395-M399 HydrophobicContact CB-CE 4.21Å; R395-M399 WeakPolarHBondContact O-CG 3.13Å; R395-M399 PolarHBondContact O-N 3.5Å
396T96Very high93.4Very high0 Ų018.6 Ų18.60%09%0.093CC..Hα-helixtrans-61-43.9-179.7-53.90000111.4I392 I394 G398 M399 V400 Y424 L427 L430I392-T396 VanDerWaalsContact O-CB 3.31Å; I392-T396 WeakPolarHBondContact O-CB 3.18Å; I392-T396 PolarHBondContact O-N 3.33Å; I392-T396 PolarHBondContact O-OG1 2.89Å; I394-T396 PolarHBondContact O-N 3.17Å; T396-G398 VanDerWaalsContact C-N 3.32Å; T396-G398 PolarHBondContact O-N 3.39Å; T396-M399 PolarHBondContact O-N 2.93Å; T396-V400 HydrophobicContact CG2-CG2 4.28Å; T396-V400 WeakPolarHBondContact O-CB 3.19Å; T396-V400 VanDerWaalsContact O-CG2 3.26Å; T396-V400 WeakPolarHBondContact O-CG2 3.32Å; T396-V400 PolarHBondContact O-N 2.9Å; T396-Y424 HydrophobicContact CG2-CD2 4.02Å; T396-Y424 HydrophobicContact CG2-CG 4.27Å; T396-L427 HydrophobicContact CG2-CD1 4.07Å; T396-L427 HydrophobicContact CG2-CG 4.36Å; T396-L430 HydrophobicContact CG2-CD1 4.02Å
397L95.8Very high93.2Very high0 Ų026.1 Ų26.10%013%0.126CC..Hα-helixtrans-56.9-46.1173.3-177.467.1000111.9R344 E393 I394 R395 I401 F429 I433R344-L397 HydrophobicContact CB-CD2 3.8Å; E393-L397 VanDerWaalsContact O-CB 3.24Å; E393-L397 WeakPolarHBondContact O-CB 3.25Å; E393-L397 PolarHBondContact O-N 3.06Å; I394-L397 PolarHBondContact O-N 2.91Å; R395-L397 VanDerWaalsContact C-N 3.34Å; R395-L397 PolarHBondContact O-N 3.47Å; L397-I401 HydrophobicContact CD1-CD1 3.53Å; L397-I401 HydrophobicContact CD1-CG1 4.38Å; L397-I401 HydrophobicContact CG-CD1 3.82Å; L397-I401 WeakPolarHBondContact O-CB 3.43Å; L397-I401 WeakPolarHBondContact O-CD1 3.35Å; L397-I401 VanDerWaalsContact O-CG1 3.27Å; L397-I401 WeakPolarHBondContact O-CG1 3.24Å; L397-I401 PolarHBondContact O-N 3.25Å; L397-I401 VanDerWaalsContact O-N 3.1Å; L397-F429 HydrophobicContact CB-CE2 4.2Å; L397-F429 HydrophobicContact CB-CZ 4.33Å; L397-F429 HydrophobicContact CD1-CE2 4.04Å; L397-I433 HydrophobicContact CD1-CD1 3.14Å
398G96.1Very high93.1Very high0 Ų025.8 Ų25.80%012%0.122CC..Hα-helixtrans-64.3-41.7177.300000113.7I394 R395 T396 G402I394-G398 PolarHBondContact O-N 2.83Å; R395-G398 PolarHBondContact O-N 3.1Å; R395-G398 VanDerWaalsContact O-N 3.12Å; T396-G398 VanDerWaalsContact C-N 3.32Å; T396-G398 PolarHBondContact O-N 3.39Å; G398-G402 WeakPolarHBondContact O-CA 3.49Å; G398-G402 PolarHBondContact O-N 3.42Å
399M96.4Very high93.1Very high17 Ų1726.4 Ų26.48%0.08412%0.121CC..Hα-helixtrans-61.8-54.8176.2-72.4-176.1-70.200110.9L387 R395 T396 I401 G402 E403 F422 Y424L387-M399 HydrophobicContact CD2-CG 3.44Å; L387-M399 VanDerWaalsContact CD2-CG 3.44Å; L387-M399 HydrophobicContact CD2-SD 3.99Å; R395-M399 HydrophobicContact CB-CE 4.21Å; R395-M399 WeakPolarHBondContact O-CG 3.13Å; R395-M399 PolarHBondContact O-N 3.5Å; T396-M399 PolarHBondContact O-N 2.93Å; M399-I401 PolarHBondContact O-N 3.28Å; M399-G402 PolarHBondContact O-N 2.96Å; M399-E403 VanDerWaalsContact O-CG 3.31Å; M399-E403 WeakPolarHBondContact O-CG 3.4Å; M399-E403 PolarHBondContact O-N 3.31Å; M399-F422 HydrophobicContact CB-CB 3.99Å; M399-F422 HydrophobicContact CB-CD2 3.63Å; M399-F422 HydrophobicContact CB-CE2 4.33Å; M399-F422 HydrophobicContact CB-CG 3.94Å; M399-F422 HydrophobicContact CG-CB 3.89Å; M399-F422 HydrophobicContact CG-CD1 4.08Å; M399-F422 HydrophobicContact CG-CD2 3.67Å; M399-F422 HydrophobicContact CG-CE2 4.19Å; M399-F422 HydrophobicContact CG-CG 3.62Å; M399-F422 HydrophobicContact SD-CB 3.62Å; M399-F422 HydrophobicContact SD-CD1 4.09Å; M399-F422 HydrophobicContact SD-CD2 4.48Å; M399-F422 HydrophobicContact SD-CG 3.84Å; M399-Y424 HydrophobicContact CB-CD1 3.85Å; M399-Y424 HydrophobicContact CB-CE1 4.13Å; M399-Y424 HydrophobicContact CE-CD1 4.31Å; M399-Y424 HydrophobicContact CE-CG 4.29Å; M399-Y424 HydrophobicContact SD-CD1 4.2Å
400V96.6Very high92.9Very high3 Ų332.6 Ų32.62%0.01815%0.153CC..Hα-helixtrans-59.4-46.4-176.8171.90000111.6T396 W404 Y424 L430 F437T396-V400 HydrophobicContact CG2-CG2 4.28Å; T396-V400 WeakPolarHBondContact O-CB 3.19Å; T396-V400 VanDerWaalsContact O-CG2 3.26Å; T396-V400 WeakPolarHBondContact O-CG2 3.32Å; T396-V400 PolarHBondContact O-N 2.9Å; V400-W404 WeakPolarHBondContact O-CB 3.31Å; V400-W404 PolarHBondContact O-N 3.49Å; V400-Y424 HydrophobicContact CG2-CD2 4.04Å; V400-Y424 HydrophobicContact CG2-CE1 4.13Å; V400-Y424 HydrophobicContact CG2-CE2 3.4Å; V400-Y424 VanDerWaalsContact CG2-CZ 3.45Å; V400-L430 HydrophobicContact CB-CD2 4.24Å; V400-L430 HydrophobicContact CG1-CD2 4.23Å; V400-L430 HydrophobicContact CG2-CD1 3.95Å; V400-L430 HydrophobicContact CG2-CD2 3.87Å; V400-F437 HydrophobicContact CG1-CE2 3.83Å; V400-F437 HydrophobicContact CG1-CZ 3.81Å
401I96.2Very high92.8Very high0 Ų034.3 Ų34.30%016%0.157CC..Hα-helixtrans-73.1-39.2-179.7-64.2168.6000110.8W330 S348 L351 L397 M399 W404 I405W330-I401 HydrophobicContact CH2-CG2 4.38Å; W330-I401 HydrophobicContact CZ2-CB 4.01Å; W330-I401 HydrophobicContact CZ2-CG2 3.73Å; S348-I401 WeakPolarHBondContact OG-CD1 3.49Å; L351-I401 HydrophobicContact CD2-CG2 4.26Å; L397-I401 HydrophobicContact CD1-CD1 3.53Å; L397-I401 HydrophobicContact CD1-CG1 4.38Å; L397-I401 HydrophobicContact CG-CD1 3.82Å; L397-I401 WeakPolarHBondContact O-CB 3.43Å; L397-I401 WeakPolarHBondContact O-CD1 3.35Å; L397-I401 VanDerWaalsContact O-CG1 3.27Å; L397-I401 WeakPolarHBondContact O-CG1 3.24Å; L397-I401 PolarHBondContact O-N 3.25Å; L397-I401 VanDerWaalsContact O-N 3.1Å; M399-I401 PolarHBondContact O-N 3.28Å; I401-W404 PolarHBondContact O-N 3.38Å; I401-I405 HydrophobicContact CG2-CD1 3.59Å; I401-I405 HydrophobicContact CG2-CG1 4.06Å; I401-I405 WeakPolarHBondContact O-CG1 3.37Å; I401-I405 PolarHBondContact O-N 3.39Å
402G94.9Very high92Very high0 Ų035.6 Ų35.60%017%0.167CC..Hα-helixtrans-60.6-50.1178.100000112.4G398 M399 W404 I405 V406G398-G402 WeakPolarHBondContact O-CA 3.49Å; G398-G402 PolarHBondContact O-N 3.42Å; M399-G402 PolarHBondContact O-N 2.96Å; G402-W404 VanDerWaalsContact C-N 3.27Å; G402-W404 PolarHBondContact O-N 2.95Å; G402-I405 PolarHBondContact O-N 3.04Å; G402-V406 WeakPolarHBondContact O-CB 3.19Å; G402-V406 VanDerWaalsContact O-CG2 3.24Å; G402-V406 WeakPolarHBondContact O-CG2 3.25Å; G402-V406 PolarHBondContact O-N 3.47Å
403E94.3Very high90.6Very high20 Ų2036.5 Ų36.59%0.09318%0.178CC..Hα-helixtrans-54.1-48172.3-70.5-178.6151.600110.9M399 K407 K421 F422 Y424M399-E403 VanDerWaalsContact O-CG 3.31Å; M399-E403 WeakPolarHBondContact O-CG 3.4Å; M399-E403 PolarHBondContact O-N 3.31Å; E403-K407 WeakPolarHBondContact O-CB 3.25Å; E403-K407 PolarHBondContact O-N 3.41Å; E403-K421 VanDerWaalsContact CD-NZ 3.32Å; E403-K421 VanDerWaalsContact OE1-CA 3.29Å; E403-K421 WeakPolarHBondContact OE1-CA 3.34Å; E403-K421 WeakPolarHBondContact OE1-CD 3.47Å; E403-K421 IonicContact OE1-NZ 3.65Å; E403-K421 PolarHBondContact OE1-NZ 3.41Å; E403-K421 IonicContact OE2-NZ 3.98Å; E403-K421 PolarHBondContact OE2-NZ 2.79Å; E403-F422 HydrophobicContact CG-CD2 3.69Å; E403-F422 HydrophobicContact CG-CE2 4.27Å; E403-F422 PolarHBondContact OE1-N 3.32Å; E403-Y424 WeakPolarHBondContact OE2-CE1 3.11Å; E403-Y424 PolarHBondContact OE2-OH 3.23Å
404W94.8Very high89.2Confident30 Ų3038 Ų3811%0.11421%0.206CC..Hα-helixtrans-63.7-48.1-176.817476.2000111.8I352 I355 I356 V400 I401 G402 K407 F408 F437I352-W404 HydrophobicContact CB-CH2 4.27Å; I352-W404 HydrophobicContact CB-CZ3 4.11Å; I352-W404 HydrophobicContact CG1-CE3 4.02Å; I352-W404 HydrophobicContact CG1-CH2 4.34Å; I352-W404 HydrophobicContact CG1-CZ3 3.71Å; I352-W404 HydrophobicContact CG2-CH2 3.81Å; I352-W404 HydrophobicContact CG2-CZ2 4.16Å; I352-W404 HydrophobicContact CG2-CZ3 4.03Å; I355-W404 HydrophobicContact CB-CH2 3.95Å; I355-W404 HydrophobicContact CD1-CH2 4.14Å; I355-W404 HydrophobicContact CD1-CZ3 3.99Å; I355-W404 HydrophobicContact CG2-CH2 3.77Å; I355-W404 HydrophobicContact CG2-CZ2 4.45Å; I356-W404 HydrophobicContact CD1-CH2 3.96Å; I356-W404 HydrophobicContact CD1-CZ2 3.24Å; I356-W404 HydrophobicContact CG1-CH2 3.94Å; I356-W404 HydrophobicContact CG1-CZ2 3.49Å; I356-W404 VanDerWaalsContact CG1-CZ2 3.49Å; V400-W404 WeakPolarHBondContact O-CB 3.31Å; V400-W404 PolarHBondContact O-N 3.49Å; I401-W404 PolarHBondContact O-N 3.38Å; G402-W404 VanDerWaalsContact C-N 3.27Å; G402-W404 PolarHBondContact O-N 2.95Å; W404-K407 PolarHBondContact O-N 3.4Å; W404-F408 HydrophobicContact CZ2-CB 4.31Å; W404-F408 AromaticContact CZ2-CD2 3.74Å; W404-F408 HydrophobicContact CZ2-CD2 3.74Å; W404-F408 HydrophobicContact CZ2-CE2 4.26Å; W404-F408 HydrophobicContact CZ2-CG 4.05Å; W404-F408 WeakPolarHBondContact O-CB 3.43Å; W404-F408 PolarHBondContact O-N 3.25Å; W404-F437 HydrophobicContact CB-CD1 4.37Å; W404-F437 HydrophobicContact CB-CE1 3.93Å; W404-F437 HydrophobicContact CB-CE2 4.37Å; W404-F437 HydrophobicContact CB-CZ 3.94Å; W404-F437 AromaticContact CD1-CD1 3.57Å; W404-F437 AromaticContact CD1-CG 3.62Å; W404-F437 AromaticContact CD2-CD1 3.43Å; W404-F437 HydrophobicContact CD2-CD1 3.43Å; W404-F437 VanDerWaalsContact CD2-CD1 3.43Å; W404-F437 AromaticContact CD2-CE1 3.5Å; W404-F437 HydrophobicContact CD2-CE1 3.5Å; W404-F437 VanDerWaalsContact CD2-CE1 3.5Å; W404-F437 HydrophobicContact CD2-CG 4.27Å; W404-F437 HydrophobicContact CD2-CZ 4.39Å; W404-F437 AromaticContact CE2-CD1 3.61Å; W404-F437 HydrophobicContact CE3-CD1 4.01Å; W404-F437 AromaticContact CE3-CE1 3.76Å; W404-F437 HydrophobicContact CE3-CE1 3.76Å; W404-F437 AromaticContact CG-CD1 3.51Å; W404-F437 HydrophobicContact CG-CD1 3.51Å; W404-F437 HydrophobicContact CG-CD2 4.36Å; W404-F437 AromaticContact CG-CE1 3.5Å; W404-F437 HydrophobicContact CG-CE1 3.5Å; W404-F437 HydrophobicContact CG-CE2 4.37Å; W404-F437 AromaticContact CG-CG 3.97Å; W404-F437 HydrophobicContact CG-CG 3.97Å; W404-F437 AromaticContact CG-CZ 3.96Å; W404-F437 HydrophobicContact CG-CZ 3.96Å; W404-F437 HydrophobicContact CZ2-CD1 4.42Å; W404-F437 AromaticContact NE1-CD1 3.59Å; W404-F437 AromaticContact NE1-CG 3.78Å
405I94.1Very high87.9Confident0 Ų042.5 Ų42.50%023%0.231CC..Hα-helixtrans-63.7-46.5179.4-67.7175.5000111.3L351 I355 V379 I401 G402 K407 F408 F409 W411L351-I405 HydrophobicContact CD2-CD1 3.9Å; L351-I405 HydrophobicContact CG-CD1 4.4Å; I355-I405 HydrophobicContact CD1-CD1 4.29Å; I355-I405 HydrophobicContact CD1-CG1 4.21Å; V379-I405 HydrophobicContact CG1-CB 4.38Å; V379-I405 HydrophobicContact CG1-CD1 4.48Å; V379-I405 HydrophobicContact CG1-CG2 3.88Å; V379-I405 HydrophobicContact CG2-CD1 4.43Å; V379-I405 HydrophobicContact CG2-CG2 3.94Å; I401-I405 HydrophobicContact CG2-CD1 3.59Å; I401-I405 HydrophobicContact CG2-CG1 4.06Å; I401-I405 WeakPolarHBondContact O-CG1 3.37Å; I401-I405 PolarHBondContact O-N 3.39Å; G402-I405 PolarHBondContact O-N 3.04Å; I405-K407 VanDerWaalsContact C-N 3.32Å; I405-K407 PolarHBondContact O-N 3.23Å; I405-F408 PolarHBondContact O-N 3.43Å; I405-F409 HydrophobicContact CG2-CD2 3.66Å; I405-F409 HydrophobicContact CG2-CE2 3.81Å; I405-F409 WeakPolarHBondContact O-CD2 3.42Å; I405-F409 PolarHBondContact O-N 2.81Å; I405-W411 HydrophobicContact CG2-CH2 4.27Å; I405-W411 HydrophobicContact CG2-CZ3 3.86Å
406V92Very high86.4Confident13 Ų1346.2 Ų46.28%0.07925%0.251CS..Hα-helixtrans-62.6-42.4-179.3169.10000110.7I383 G402 N410 W411 L420I383-V406 HydrophobicContact CD1-CG2 4.22Å; G402-V406 WeakPolarHBondContact O-CB 3.19Å; G402-V406 VanDerWaalsContact O-CG2 3.24Å; G402-V406 WeakPolarHBondContact O-CG2 3.25Å; G402-V406 PolarHBondContact O-N 3.47Å; V406-N410 PolarHBondContact O-N 3.12Å; V406-N410 VanDerWaalsContact O-N 3.16Å; V406-W411 HydrophobicContact CG1-CB 4.27Å; V406-W411 HydrophobicContact CG2-CE3 4.18Å; V406-W411 PolarHBondContact O-N 2.85Å; V406-L420 HydrophobicContact CB-CD2 4.14Å; V406-L420 HydrophobicContact CG1-CB 4.09Å; V406-L420 HydrophobicContact CG1-CD2 4.33Å; V406-L420 HydrophobicContact CG2-CD2 3.83Å
407K91.3Very high84.8Confident158 Ų15854 Ų5469%0.68729%0.292SS*.Hα-helixtrans-64.4-43.6173.2-177.4-178.5177.2-175.90111.4E403 W404 I405 F409 N410E403-K407 WeakPolarHBondContact O-CB 3.25Å; E403-K407 PolarHBondContact O-N 3.41Å; W404-K407 PolarHBondContact O-N 3.4Å; I405-K407 VanDerWaalsContact C-N 3.32Å; I405-K407 PolarHBondContact O-N 3.23Å; K407-F409 PolarHBondContact O-N 3.47Å; K407-N410 PolarHBondContact O-N 3.18Å; K407-N410 PolarHBondContact O-OD1 2.87Å; K407-N410 VanDerWaalsContact O-OD1 3.1Å
408F91.1Very high83.6Confident56 Ų5659 Ų5925%0.24632%0.316CS..Hα-helixtrans-61.9-44-177.2-174.4-89.8000112.3I355 I356 N360 W404 I405 N410I355-F408 HydrophobicContact CG2-CD1 3.57Å; I355-F408 HydrophobicContact CG2-CE1 3.29Å; I355-F408 HydrophobicContact CG2-CG 4.31Å; I355-F408 HydrophobicContact CG2-CZ 3.8Å; I356-F408 HydrophobicContact CG1-CE2 3.9Å; I356-F408 HydrophobicContact CG1-CZ 4.33Å; N360-F408 HydrophobicContact CB-CE1 4.02Å; N360-F408 HydrophobicContact CB-CZ 3.59Å; W404-F408 HydrophobicContact CZ2-CB 4.31Å; W404-F408 AromaticContact CZ2-CD2 3.74Å; W404-F408 HydrophobicContact CZ2-CD2 3.74Å; W404-F408 HydrophobicContact CZ2-CE2 4.26Å; W404-F408 HydrophobicContact CZ2-CG 4.05Å; W404-F408 WeakPolarHBondContact O-CB 3.43Å; W404-F408 PolarHBondContact O-N 3.25Å; I405-F408 PolarHBondContact O-N 3.43Å; F408-N410 VanDerWaalsContact C-N 3.33Å
409F89.1Confident82.7Confident25 Ų2564.1 Ų64.111%0.1134%0.338CS..THydrogen-bonded Turntrans-87.11.7178-67.7-58.5000114.4I355 Y372 L375 I405 K407 W411I355-F409 HydrophobicContact CD1-CE2 4.22Å; I355-F409 HydrophobicContact CD1-CZ 4.41Å; I355-F409 HydrophobicContact CG1-CZ 4.3Å; I355-F409 HydrophobicContact CG2-CE1 4.49Å; I355-F409 HydrophobicContact CG2-CE2 4.41Å; I355-F409 HydrophobicContact CG2-CZ 3.85Å; Y372-F409 HydrophobicContact CD1-CD1 4.26Å; Y372-F409 AromaticContact CD1-CE1 3.89Å; Y372-F409 HydrophobicContact CD1-CE1 3.89Å; Y372-F409 HydrophobicContact CD1-CZ 4.33Å; Y372-F409 AromaticContact CE1-CD1 3.75Å; Y372-F409 HydrophobicContact CE1-CD1 3.75Å; Y372-F409 AromaticContact CE1-CE1 3.16Å; Y372-F409 HydrophobicContact CE1-CE1 3.16Å; Y372-F409 AromaticContact CE1-CZ 3.85Å; Y372-F409 HydrophobicContact CE1-CZ 3.85Å; Y372-F409 HydrophobicContact CE2-CD1 4.18Å; Y372-F409 HydrophobicContact CE2-CE1 4.34Å; Y372-F409 AromaticContact CZ-CD1 3.69Å; Y372-F409 AromaticContact CZ-CE1 3.43Å; Y372-F409 VanDerWaalsContact CZ-CE1 3.43Å; Y372-F409 WeakPolarHBondContact OH-CE1 3.3Å; L375-F409 HydrophobicContact CD1-CE2 4.39Å; L375-F409 HydrophobicContact CD1-CZ 4.21Å; I405-F409 HydrophobicContact CG2-CD2 3.66Å; I405-F409 HydrophobicContact CG2-CE2 3.81Å; I405-F409 WeakPolarHBondContact O-CD2 3.42Å; I405-F409 PolarHBondContact O-N 2.81Å; K407-F409 PolarHBondContact O-N 3.47Å; F409-W411 VanDerWaalsContact C-N 3.26Å; F409-W411 HydrophobicContact CB-CD2 3.81Å; F409-W411 HydrophobicContact CB-CG 4.02Å; F409-W411 HydrophobicContact CB-CZ2 4.01Å; F409-W411 AromaticContact CD2-CH2 3.75Å; F409-W411 HydrophobicContact CD2-CH2 3.75Å; F409-W411 AromaticContact CD2-CZ2 3.65Å; F409-W411 HydrophobicContact CD2-CZ2 3.65Å; F409-W411 HydrophobicContact CD2-CZ3 4.22Å; F409-W411 HydrophobicContact CE2-CH2 4.3Å; F409-W411 HydrophobicContact CE2-CZ2 4.36Å; F409-W411 AromaticContact CG-CE2 3.99Å; F409-W411 HydrophobicContact CG-CH2 4.49Å; F409-W411 AromaticContact CG-CZ2 3.95Å; F409-W411 HydrophobicContact CG-CZ2 3.95Å; F409-W411 PolarHBondContact O-N 3.22Å
410N86.4Confident82.2Confident137 Ų13766.3 Ų66.373%0.73335%0.35SS*.THydrogen-bonded Turntrans50.644-174.5-66.2-35.7000112.9V406 K407 F408 S412V406-N410 PolarHBondContact O-N 3.12Å; V406-N410 VanDerWaalsContact O-N 3.16Å; K407-N410 PolarHBondContact O-N 3.18Å; K407-N410 PolarHBondContact O-OD1 2.87Å; K407-N410 VanDerWaalsContact O-OD1 3.1Å; F408-N410 VanDerWaalsContact C-N 3.33Å; N410-S412 PolarHBondContact O-N 2.92Å
411W84.3Confident81.9Confident61 Ų6173 Ų7323%0.23138%0.379CS..  trans-76.71.5176.4-67.5-24.1000113.7L375 L376 V379 I405 V406 F409L375-W411 HydrophobicContact CB-CH2 4.08Å; L375-W411 HydrophobicContact CB-CZ2 4.27Å; L376-W411 HydrophobicContact CB-CH2 4.02Å; L376-W411 HydrophobicContact CB-CZ2 3.99Å; L376-W411 HydrophobicContact CB-CZ3 4.32Å; L376-W411 HydrophobicContact CD1-CD2 3.62Å; L376-W411 HydrophobicContact CD1-CE3 3.33Å; L376-W411 HydrophobicContact CD1-CG 4.2Å; L376-W411 HydrophobicContact CD1-CH2 4.19Å; L376-W411 HydrophobicContact CD1-CZ2 4.44Å; L376-W411 HydrophobicContact CD1-CZ3 3.64Å; V379-W411 HydrophobicContact CB-CH2 4.18Å; V379-W411 HydrophobicContact CB-CZ3 3.75Å; V379-W411 HydrophobicContact CG1-CZ3 3.81Å; V379-W411 HydrophobicContact CG2-CH2 3.88Å; V379-W411 HydrophobicContact CG2-CZ3 3.87Å; I405-W411 HydrophobicContact CG2-CH2 4.27Å; I405-W411 HydrophobicContact CG2-CZ3 3.86Å; V406-W411 HydrophobicContact CG1-CB 4.27Å; V406-W411 HydrophobicContact CG2-CE3 4.18Å; V406-W411 PolarHBondContact O-N 2.85Å; F409-W411 VanDerWaalsContact C-N 3.26Å; F409-W411 HydrophobicContact CB-CD2 3.81Å; F409-W411 HydrophobicContact CB-CG 4.02Å; F409-W411 HydrophobicContact CB-CZ2 4.01Å; F409-W411 AromaticContact CD2-CH2 3.75Å; F409-W411 HydrophobicContact CD2-CH2 3.75Å; F409-W411 AromaticContact CD2-CZ2 3.65Å; F409-W411 HydrophobicContact CD2-CZ2 3.65Å; F409-W411 HydrophobicContact CD2-CZ3 4.22Å; F409-W411 HydrophobicContact CE2-CH2 4.3Å; F409-W411 HydrophobicContact CE2-CZ2 4.36Å; F409-W411 AromaticContact CG-CE2 3.99Å; F409-W411 HydrophobicContact CG-CH2 4.49Å; F409-W411 AromaticContact CG-CZ2 3.95Å; F409-W411 HydrophobicContact CG-CZ2 3.95Å; F409-W411 PolarHBondContact O-N 3.22Å
412S70.2Confident81.7Confident39 Ų3975.3 Ų75.327%0.27339%0.389SS..SBendtrans-68.8127174.2-76.30000111.2N410 G414N410-S412 PolarHBondContact O-N 2.92Å; S412-G414 PolarHBondContact O-N 3.06Å
413P61.9Low81.4Confident88 Ų8884.4 Ų84.457%0.57143%0.431SS*.  trans-72.8114174.426.3-29.3000111D415 Q418P413-D415 VanDerWaalsContact C-N 3.34Å; P413-D415 PolarHBondContact O-N 3.44Å; P413-Q418 PolarHBondContact O-OE1 2.93Å
414G63.4Low81.2Confident81 Ų8186 Ų8684%0.83544%0.437SS*.SBendtrans75.3-54152.400000118.6S412S412-G414 PolarHBondContact O-N 3.06Å
415D67.2Low80.9Confident96 Ų9691.4 Ų91.451%0.51346%0.463SS..  trans-114.6139.9-164.9-68.2-30.6000113.5P413 N417 Q418P413-D415 VanDerWaalsContact C-N 3.34Å; P413-D415 PolarHBondContact O-N 3.44Å; D415-N417 PolarHBondContact O-N 2.99Å; D415-N417 VanDerWaalsContact O-N 3.08Å; D415-Q418 HydrophobicContact CB-CB 4.44Å; D415-Q418 HydrophobicContact CB-CG 4.09Å; D415-Q418 PolarHBondContact O-N 2.74Å; D415-Q418 PolarHBondContact OD2-NE2 3.19Å
416E61.5Low80.7Confident147 Ų14796.3 Ų96.369%0.68749%0.486SS*.G310 helixtrans-50.8-30.7169.3-81.8-86.1132.800112.4K419E416-K419 WeakPolarHBondContact O-CD 3.35Å; E416-K419 WeakPolarHBondContact O-CG 3.38Å; E416-K419 IonicContact OE1-NZ 2.72Å; E416-K419 PolarHBondContact OE1-NZ 3.19Å; E416-K419 IonicContact OE2-NZ 3.38Å; E416-K419 PolarHBondContact OE2-NZ 3.45Å
417N62.4Low80.7Confident162 Ų16297.4 Ų97.487%0.86649%0.492SS*.G310 helixtrans-80.3-10.6179.8-66-16000114D415D415-N417 PolarHBondContact O-N 2.99Å; D415-N417 VanDerWaalsContact O-N 3.08Å
418Q70.6Confident80.7Confident105 Ų10597 Ų9749%0.49150%0.497SS..G310 helixtrans-105.227.3-179.6-63-175.926.300112.5P413 D415P413-Q418 PolarHBondContact O-OE1 2.93Å; D415-Q418 HydrophobicContact CB-CB 4.44Å; D415-Q418 HydrophobicContact CB-CG 4.09Å; D415-Q418 PolarHBondContact O-N 2.74Å; D415-Q418 PolarHBondContact OD2-NE2 3.19Å
419K78.7Confident80.7Confident108 Ų10895.4 Ų95.447%0.4749%0.49SS..  trans-70.2131.7172.6-73172.7-178.6165.70109.4E416 K421E416-K419 WeakPolarHBondContact O-CD 3.35Å; E416-K419 WeakPolarHBondContact O-CG 3.38Å; E416-K419 IonicContact OE1-NZ 2.72Å; E416-K419 PolarHBondContact OE1-NZ 3.19Å; E416-K419 IonicContact OE2-NZ 3.38Å; E416-K419 PolarHBondContact OE2-NZ 3.45Å; K419-K421 PolarHBondContact O-N 2.83Å
420L85.9Confident80.9Confident64 Ų6494.2 Ų94.234%0.33549%0.485SS..  trans-61.6109.6173.2-177.665.3000108.5I383 V406 F422I383-L420 HydrophobicContact CD1-CD2 4.44Å; V406-L420 HydrophobicContact CB-CD2 4.14Å; V406-L420 HydrophobicContact CG1-CB 4.09Å; V406-L420 HydrophobicContact CG1-CD2 4.33Å; V406-L420 HydrophobicContact CG2-CD2 3.83Å; L420-F422 HydrophobicContact CD1-CE1 4.29Å; L420-F422 HydrophobicContact CD1-CE2 3.87Å; L420-F422 HydrophobicContact CD1-CZ 3.68Å; L420-F422 HydrophobicContact CD2-CE2 3.85Å; L420-F422 HydrophobicContact CD2-CZ 4.24Å; L420-F422 HydrophobicContact CG-CD2 4.45Å; L420-F422 HydrophobicContact CG-CE2 3.81Å; L420-F422 HydrophobicContact CG-CZ 4.14Å
421K88.8Confident81.1Confident143 Ų14392 Ų9262%0.62248%0.477SS*.  trans-134.4120178.2-170.573.5-154.9133.40109.7E403 K419E403-K421 VanDerWaalsContact CD-NZ 3.32Å; E403-K421 VanDerWaalsContact OE1-CA 3.29Å; E403-K421 WeakPolarHBondContact OE1-CA 3.34Å; E403-K421 WeakPolarHBondContact OE1-CD 3.47Å; E403-K421 IonicContact OE1-NZ 3.65Å; E403-K421 PolarHBondContact OE1-NZ 3.41Å; E403-K421 IonicContact OE2-NZ 3.98Å; E403-K421 PolarHBondContact OE2-NZ 2.79Å; K419-K421 PolarHBondContact O-N 2.83Å
422F91.7Very high81.4Confident48 Ų4894 Ų9421%0.21149%0.488CS..  trans-101151.4172.7-61.8-72.3000110.6I383 L387 M399 E403 L420 Y424I383-F422 HydrophobicContact CG2-CZ 4.29Å; L387-F422 HydrophobicContact CD1-CE1 4.06Å; L387-F422 HydrophobicContact CD1-CZ 4.04Å; M399-F422 HydrophobicContact CB-CB 3.99Å; M399-F422 HydrophobicContact CB-CD2 3.63Å; M399-F422 HydrophobicContact CB-CE2 4.33Å; M399-F422 HydrophobicContact CB-CG 3.94Å; M399-F422 HydrophobicContact CG-CB 3.89Å; M399-F422 HydrophobicContact CG-CD1 4.08Å; M399-F422 HydrophobicContact CG-CD2 3.67Å; M399-F422 HydrophobicContact CG-CE2 4.19Å; M399-F422 HydrophobicContact CG-CG 3.62Å; M399-F422 HydrophobicContact SD-CB 3.62Å; M399-F422 HydrophobicContact SD-CD1 4.09Å; M399-F422 HydrophobicContact SD-CD2 4.48Å; M399-F422 HydrophobicContact SD-CG 3.84Å; E403-F422 HydrophobicContact CG-CD2 3.69Å; E403-F422 HydrophobicContact CG-CE2 4.27Å; E403-F422 PolarHBondContact OE1-N 3.32Å; L420-F422 HydrophobicContact CD1-CE1 4.29Å; L420-F422 HydrophobicContact CD1-CE2 3.87Å; L420-F422 HydrophobicContact CD1-CZ 3.68Å; L420-F422 HydrophobicContact CD2-CE2 3.85Å; L420-F422 HydrophobicContact CD2-CZ 4.24Å; L420-F422 HydrophobicContact CG-CD2 4.45Å; L420-F422 HydrophobicContact CG-CE2 3.81Å; L420-F422 HydrophobicContact CG-CZ 4.14Å; F422-Y424 HydrophobicContact CB-CD1 3.8Å; F422-Y424 HydrophobicContact CB-CE1 4.07Å
423E89.5Confident82.5Confident191 Ų19192.2 Ų92.289%0.89348%0.476SS*.  trans-94.1123.4167.9-63.9179-179.700108.9
424Y90.3Very high84Confident53 Ų5392.6 Ų92.621%0.20847%0.465CS..  trans-153.5154.6178.250.8-97.7000111.7T396 M399 V400 E403 F422T396-Y424 HydrophobicContact CG2-CD2 4.02Å; T396-Y424 HydrophobicContact CG2-CG 4.27Å; M399-Y424 HydrophobicContact CB-CD1 3.85Å; M399-Y424 HydrophobicContact CB-CE1 4.13Å; M399-Y424 HydrophobicContact CE-CD1 4.31Å; M399-Y424 HydrophobicContact CE-CG 4.29Å; M399-Y424 HydrophobicContact SD-CD1 4.2Å; V400-Y424 HydrophobicContact CG2-CD2 4.04Å; V400-Y424 HydrophobicContact CG2-CE1 4.13Å; V400-Y424 HydrophobicContact CG2-CE2 3.4Å; V400-Y424 VanDerWaalsContact CG2-CZ 3.45Å; E403-Y424 WeakPolarHBondContact OE2-CE1 3.11Å; E403-Y424 PolarHBondContact OE2-OH 3.23Å; F422-Y424 HydrophobicContact CB-CD1 3.8Å; F422-Y424 HydrophobicContact CB-CE1 4.07Å
425E87.9Confident85.3Confident144 Ų14492.3 Ų92.367%0.67345%0.449SS*.  trans-75.2139.4173.5-64.1179179.900110.4L427E425-L427 HydrophobicContact CB-CD2 4.46Å; E425-L427 PolarHBondContact O-N 2.89Å
426E89.9Confident86.6Confident103 Ų10388.9 Ų88.948%0.48143%0.429SS..  trans-77.393.4178-16867-161.700109.9L430 R434E426-L430 WeakPolarHBondContact OE1-CB 3.16Å; E426-L430 WeakPolarHBondContact OE1-CD1 3.36Å; E426-R434 IonicContact OE1-CZ 3.82Å; E426-R434 IonicContact OE1-NE 3.58Å; E426-R434 PolarHBondContact OE1-NE 3.47Å; E426-R434 IonicContact OE1-NH2 3.66Å; E426-R434 PolarHBondContact OE1-NH2 3.36Å; E426-R434 IonicContact OE2-CZ 2.78Å; E426-R434 IonicContact OE2-NE 2.78Å; E426-R434 IonicContact OE2-NH2 3.63Å; E426-R434 PolarHBondContact OE2-NH2 3.33Å
427L92.2Very high88.1Confident37 Ų3783.5 Ų83.519%0.19440%0.404CS..  trans-78.7143-179.2-60.1177000111.6I392 E393 T396 E425 F429 L430I392-L427 HydrophobicContact CG1-CD1 4.46Å; E393-L427 HydrophobicContact CG-CD1 4.37Å; T396-L427 HydrophobicContact CG2-CD1 4.07Å; T396-L427 HydrophobicContact CG2-CG 4.36Å; E425-L427 HydrophobicContact CB-CD2 4.46Å; E425-L427 PolarHBondContact O-N 2.89Å; L427-F429 HydrophobicContact CB-CD1 3.79Å; L427-F429 HydrophobicContact CB-CE1 3.56Å; L427-F429 HydrophobicContact CB-CZ 4.37Å; L427-F429 HydrophobicContact CD1-CD1 4.46Å; L427-F429 HydrophobicContact CD1-CE1 3.55Å; L427-F429 HydrophobicContact CD1-CZ 4.25Å; L427-F429 HydrophobicContact CG-CE1 4.2Å; L427-F429 PolarHBondContact O-N 3.44Å; L427-L430 WeakPolarHBondContact O-CB 3.35Å; L427-L430 WeakPolarHBondContact O-CG 3.33Å; L427-L430 PolarHBondContact O-N 2.79Å
428N91.5Very high89.5Confident148 Ų14878.6 Ų78.679%0.79138%0.379SS*.G310 helixtrans-51.4-34.8-174.2-67.3-18.7000114.6L430 T431N428-L430 PolarHBondContact O-N 3.05Å; N428-T431 WeakPolarHBondContact O-CG2 3.38Å; N428-T431 PolarHBondContact O-N 3.13Å; N428-T431 PolarHBondContact O-OG1 3.32Å
429F91.5Very high90.4Very high24 Ų2475.6 Ų75.611%0.10537%0.369CS..G310 helixtrans-69.3-17.8-176.974-99.2000113.5L341 I345 E393 L397 L427 T431 H432 I433L341-F429 HydrophobicContact CD2-CD1 4.39Å; I345-F429 HydrophobicContact CD1-CB 3.74Å; I345-F429 HydrophobicContact CD1-CD2 3.85Å; I345-F429 HydrophobicContact CD1-CG 4.01Å; I345-F429 HydrophobicContact CG1-CD2 3.96Å; E393-F429 HydrophobicContact CB-CE1 3.74Å; E393-F429 HydrophobicContact CB-CZ 4.26Å; E393-F429 HydrophobicContact CG-CE1 4.17Å; E393-F429 WeakPolarHBondContact O-CZ 3.26Å; L397-F429 HydrophobicContact CB-CE2 4.2Å; L397-F429 HydrophobicContact CB-CZ 4.33Å; L397-F429 HydrophobicContact CD1-CE2 4.04Å; L427-F429 HydrophobicContact CB-CD1 3.79Å; L427-F429 HydrophobicContact CB-CE1 3.56Å; L427-F429 HydrophobicContact CB-CZ 4.37Å; L427-F429 HydrophobicContact CD1-CD1 4.46Å; L427-F429 HydrophobicContact CD1-CE1 3.55Å; L427-F429 HydrophobicContact CD1-CZ 4.25Å; L427-F429 HydrophobicContact CG-CE1 4.2Å; L427-F429 PolarHBondContact O-N 3.44Å; F429-T431 PolarHBondContact O-N 3.46Å; F429-H432 WeakPolarHBondContact O-CB 3.4Å; F429-H432 PolarHBondContact O-N 2.86Å; F429-H432 VanDerWaalsContact O-N 3.1Å; F429-I433 HydrophobicContact CD2-CD1 4.21Å; F429-I433 HydrophobicContact CE2-CD1 4.27Å
430L92.8Very high90.6Very high0 Ų072 Ų720%035%0.354CS..G310 helixtrans-65-22.2178.3-65.3176.9000112.3T396 V400 E426 L427 N428 H432 I433 R434T396-L430 HydrophobicContact CG2-CD1 4.02Å; V400-L430 HydrophobicContact CB-CD2 4.24Å; V400-L430 HydrophobicContact CG1-CD2 4.23Å; V400-L430 HydrophobicContact CG2-CD1 3.95Å; V400-L430 HydrophobicContact CG2-CD2 3.87Å; E426-L430 WeakPolarHBondContact OE1-CB 3.16Å; E426-L430 WeakPolarHBondContact OE1-CD1 3.36Å; L427-L430 WeakPolarHBondContact O-CB 3.35Å; L427-L430 WeakPolarHBondContact O-CG 3.33Å; L427-L430 PolarHBondContact O-N 2.79Å; N428-L430 PolarHBondContact O-N 3.05Å; L430-H432 PolarHBondContact O-N 3.36Å; L430-I433 PolarHBondContact O-N 3.44Å; L430-R434 PolarHBondContact O-N 3.02Å
431T91.2Very high90Very high91 Ų9174.9 Ų74.956%0.55837%0.37SS*.G310 helixtrans-58.6-25.8172.360.10000112.8N428 F429 P435N428-T431 WeakPolarHBondContact O-CG2 3.38Å; N428-T431 PolarHBondContact O-N 3.13Å; N428-T431 PolarHBondContact O-OG1 3.32Å; F429-T431 PolarHBondContact O-N 3.46Å; T431-P435 VanDerWaalsContact O-CD 3.23Å; T431-P435 WeakPolarHBondContact O-CD 3.16Å; T431-P435 WeakPolarHBondContact O-CG 3.28Å
432H90.5Very high88.7Confident103 Ų10374.1 Ų74.148%0.47737%0.369SS..G310 helixtrans-85.1-8.7176.7-58.9-53.2000113.7I345 Q349 F429 L430I345-H432 HydrophobicContact CG2-CB 4.19Å; Q349-H432 PolarHBondContact NE2-O 3.48Å; F429-H432 WeakPolarHBondContact O-CB 3.4Å; F429-H432 PolarHBondContact O-N 2.86Å; F429-H432 VanDerWaalsContact O-N 3.1Å; L430-H432 PolarHBondContact O-N 3.36Å
433I92.5Very high87Confident1 Ų174 Ų741%0.00538%0.377CS..THydrogen-bonded Turntrans-112-47-174.1-61.6175.2000110.9I345 I352 L397 F429 L430 P435 Y436 F437I345-I433 HydrophobicContact CG1-CD1 4.25Å; I345-I433 HydrophobicContact CG2-CD1 4.14Å; I345-I433 HydrophobicContact CG2-CG1 3.86Å; I352-I433 HydrophobicContact CD1-CG2 3.49Å; I352-I433 VanDerWaalsContact CD1-CG2 3.49Å; L397-I433 HydrophobicContact CD1-CD1 3.14Å; F429-I433 HydrophobicContact CD2-CD1 4.21Å; F429-I433 HydrophobicContact CE2-CD1 4.27Å; L430-I433 PolarHBondContact O-N 3.44Å; I433-P435 VanDerWaalsContact C-N 3.31Å; I433-P435 VanDerWaalsContact O-N 3.17Å; I433-Y436 VanDerWaalsContact O-CB 3.31Å; I433-Y436 WeakPolarHBondContact O-CB 3.39Å; I433-Y436 PolarHBondContact O-N 3.44Å; I433-F437 HydrophobicContact CG2-CE1 4.15Å; I433-F437 HydrophobicContact CG2-CZ 3.92Å
434R93.2Very high84.9Confident95 Ų9569.2 Ų69.236%0.35836%0.361SS..G310 helixtrans-52.4-38-175.7-70.8-175178.2-81.31.7114.8E426 L430 Y436 F437E426-R434 IonicContact OE1-CZ 3.82Å; E426-R434 IonicContact OE1-NE 3.58Å; E426-R434 PolarHBondContact OE1-NE 3.47Å; E426-R434 IonicContact OE1-NH2 3.66Å; E426-R434 PolarHBondContact OE1-NH2 3.36Å; E426-R434 IonicContact OE2-CZ 2.78Å; E426-R434 IonicContact OE2-NE 2.78Å; E426-R434 IonicContact OE2-NH2 3.63Å; E426-R434 PolarHBondContact OE2-NH2 3.33Å; L430-R434 PolarHBondContact O-N 3.02Å; R434-Y436 PolarHBondContact O-N 3.4Å; R434-Y436 VanDerWaalsContact O-N 3.12Å; R434-F437 HydrophobicContact CB-CD2 4.37Å; R434-F437 HydrophobicContact CG-CD2 4.3Å; R434-F437 HydrophobicContact CG-CE2 4.14Å; R434-F437 WeakPolarHBondContact O-CB 3.32Å; R434-F437 PolarHBondContact O-N 3.47Å
435P91.8Very high82.1Confident76 Ų7673.1 Ų73.149%0.49439%0.385SS..G310 helixtrans-59.1-24176.2-26.336.1000114.3R292 T431 I433 F437R292-P435 PolarHBondContact NH1-O 2.92Å; T431-P435 VanDerWaalsContact O-CD 3.23Å; T431-P435 WeakPolarHBondContact O-CD 3.16Å; T431-P435 WeakPolarHBondContact O-CG 3.28Å; I433-P435 VanDerWaalsContact C-N 3.31Å; I433-P435 VanDerWaalsContact O-N 3.17Å; P435-F437 VanDerWaalsContact C-N 3.31Å
436Y93.7Very high79.6Confident24 Ų2472.3 Ų72.39%0.09439%0.39CS..G310 helixtrans-76.4-18176.9-73.6-100.1000113G288 R292 Q349 I352 S353 I356 I433 R434 V438G288-Y436 PolarHBondContact O-OH 3.04Å; R292-Y436 HydrophobicContact CG-CD1 3.76Å; R292-Y436 HydrophobicContact CG-CE1 3.48Å; R292-Y436 VanDerWaalsContact CG-CE1 3.48Å; Q349-Y436 HydrophobicContact CB-CD1 4.18Å; Q349-Y436 HydrophobicContact CB-CD2 4.4Å; Q349-Y436 HydrophobicContact CB-CE1 3.92Å; Q349-Y436 HydrophobicContact CB-CE2 4.19Å; Q349-Y436 HydrophobicContact CB-CG 4.4Å; Q349-Y436 HydrophobicContact CG-CD1 4.47Å; Q349-Y436 HydrophobicContact CG-CD2 3.82Å; Q349-Y436 HydrophobicContact CG-CE1 4.27Å; Q349-Y436 HydrophobicContact CG-CE2 3.61Å; Q349-Y436 HydrophobicContact CG-CG 4.25Å; I352-Y436 WeakPolarHBondContact CG2-O 3.24Å; S353-Y436 WeakPolarHBondContact OG-CD1 3.47Å; S353-Y436 WeakPolarHBondContact OG-CE1 3.48Å; I356-Y436 WeakPolarHBondContact CD1-O 3.2Å; I433-Y436 VanDerWaalsContact O-CB 3.31Å; I433-Y436 WeakPolarHBondContact O-CB 3.39Å; I433-Y436 PolarHBondContact O-N 3.44Å; R434-Y436 PolarHBondContact O-N 3.4Å; R434-Y436 VanDerWaalsContact O-N 3.12Å; Y436-V438 PolarHBondContact O-N 3.29Å
437F93.7Very high76.8Confident34 Ų3476.1 Ų76.115%0.14941%0.408CS..G310 helixtrans-71.6-15.6177-62.4-29.1000113.6I352 I356 V400 W404 I433 R434 P435I352-F437 HydrophobicContact CD1-CD1 3.93Å; I352-F437 HydrophobicContact CD1-CE1 3.37Å; I352-F437 HydrophobicContact CD1-CZ 4.27Å; I352-F437 HydrophobicContact CG1-CD1 4.22Å; I352-F437 HydrophobicContact CG1-CE1 3.85Å; I352-F437 HydrophobicContact CG2-CD1 3.84Å; I352-F437 HydrophobicContact CG2-CE1 4.33Å; I356-F437 VanDerWaalsContact CD1-C 3.42Å; I356-F437 WeakPolarHBondContact CD1-O 3.47Å; V400-F437 HydrophobicContact CG1-CE2 3.83Å; V400-F437 HydrophobicContact CG1-CZ 3.81Å; W404-F437 HydrophobicContact CB-CD1 4.37Å; W404-F437 HydrophobicContact CB-CE1 3.93Å; W404-F437 HydrophobicContact CB-CE2 4.37Å; W404-F437 HydrophobicContact CB-CZ 3.94Å; W404-F437 AromaticContact CD1-CD1 3.57Å; W404-F437 AromaticContact CD1-CG 3.62Å; W404-F437 AromaticContact CD2-CD1 3.43Å; W404-F437 HydrophobicContact CD2-CD1 3.43Å; W404-F437 VanDerWaalsContact CD2-CD1 3.43Å; W404-F437 AromaticContact CD2-CE1 3.5Å; W404-F437 HydrophobicContact CD2-CE1 3.5Å; W404-F437 VanDerWaalsContact CD2-CE1 3.5Å; W404-F437 HydrophobicContact CD2-CG 4.27Å; W404-F437 HydrophobicContact CD2-CZ 4.39Å; W404-F437 AromaticContact CE2-CD1 3.61Å; W404-F437 HydrophobicContact CE3-CD1 4.01Å; W404-F437 AromaticContact CE3-CE1 3.76Å; W404-F437 HydrophobicContact CE3-CE1 3.76Å; W404-F437 AromaticContact CG-CD1 3.51Å; W404-F437 HydrophobicContact CG-CD1 3.51Å; W404-F437 HydrophobicContact CG-CD2 4.36Å; W404-F437 AromaticContact CG-CE1 3.5Å; W404-F437 HydrophobicContact CG-CE1 3.5Å; W404-F437 HydrophobicContact CG-CE2 4.37Å; W404-F437 AromaticContact CG-CG 3.97Å; W404-F437 HydrophobicContact CG-CG 3.97Å; W404-F437 AromaticContact CG-CZ 3.96Å; W404-F437 HydrophobicContact CG-CZ 3.96Å; W404-F437 HydrophobicContact CZ2-CD1 4.42Å; W404-F437 AromaticContact NE1-CD1 3.59Å; W404-F437 AromaticContact NE1-CG 3.78Å; I433-F437 HydrophobicContact CG2-CE1 4.15Å; I433-F437 HydrophobicContact CG2-CZ 3.92Å; R434-F437 HydrophobicContact CB-CD2 4.37Å; R434-F437 HydrophobicContact CG-CD2 4.3Å; R434-F437 HydrophobicContact CG-CE2 4.14Å; R434-F437 WeakPolarHBondContact O-CB 3.32Å; R434-F437 PolarHBondContact O-N 3.47Å; P435-F437 VanDerWaalsContact C-N 3.31Å
438V92Very high73.7Confident59 Ų5978.8 Ų78.836%0.35843%0.429SS..SBendtrans-95.8123.4-178-176.40000108.9R292 Y436 E442R292-V438 PolarHBondContact NH1-O 3.28Å; R292-V438 VanDerWaalsContact NH1-O 3.08Å; R292-V438 PolarHBondContact NH2-O 2.98Å; Y436-V438 PolarHBondContact O-N 3.29Å; V438-E442 HydrophobicContact CG1-CB 3.9Å
439P88.4Confident70.6Confident41 Ų4174.9 Ų74.927%0.26642%0.424SS..  trans-53.9149.7172.1-24.234.2000112.4I356 D441 E442 A443I356-P439 HydrophobicContact CG2-CB 4.24Å; I356-P439 HydrophobicContact CG2-CG 4.26Å; P439-D441 VanDerWaalsContact C-N 3.26Å; P439-D441 PolarHBondContact O-N 3.13Å; P439-E442 PolarHBondContact O-N 2.75Å; P439-A443 PolarHBondContact O-N 2.8Å
440L84.3Confident67.5Low32 Ų3281.1 Ų81.117%0.16846%0.458CS..Hα-helixtrans-62.3-33-177.9-71.9158.6000113.1P251 N296 E442 A443P251-L440 HydrophobicContact CG-CD1 3.57Å; P251-L440 HydrophobicContact CG-CD2 4.43Å; N296-L440 HydrophobicContact CB-CD1 3.94Å; N296-L440 WeakPolarHBondContact ND2-CD1 3.48Å; L440-E442 VanDerWaalsContact C-N 3.28Å; L440-E442 PolarHBondContact O-N 2.89Å; L440-A443 PolarHBondContact O-N 3.26Å
441D73.5Confident64.3Low125 Ų12590.3 Ų90.367%0.66850%0.501SS*.Hα-helixtrans-65.9-30.9-178.5-60.4-32000112P439P439-D441 VanDerWaalsContact C-N 3.26Å; P439-D441 PolarHBondContact O-N 3.13Å
442E61.2Low61.2Low127 Ų12793.4 Ų93.459%0.59351%0.514SS*.Hα-helixtrans-82-18.3177-65.6177.8-177.600112.9V438 P439 L440V438-E442 HydrophobicContact CG1-CB 3.9Å; P439-E442 PolarHBondContact O-N 2.75Å; L440-E442 VanDerWaalsContact C-N 3.28Å; L440-E442 PolarHBondContact O-N 2.89Å
443A55.5Low58.1Low46 Ų4693.4 Ų93.438%0.3853%0.525SS..Hα-helixtrans-79.8-22.8-178.500000113.3P439 L440P439-A443 PolarHBondContact O-N 2.8Å; L440-A443 PolarHBondContact O-N 3.26Å
444V46.2Very low54.8Low91 Ų9199.4 Ų99.455%0.55256%0.562SS**G310 helixtrans-79.7-23-175.5-178.90000112.6V446 E447V444-V446 PolarHBondContact O-N 2.81Å; V444-V446 VanDerWaalsContact O-N 3.16Å; V444-E447 PolarHBondContact O-N 3.43Å
445D31.2Very low51.5Low134 Ų13499.8 Ų99.872%0.71758%0.577SS**G310 helixtrans-71.9-5.3178.2-76-20.4000113.7
446V34.3Very low48.4Very low128 Ų128100.7 Ų100.778%0.77658%0.581SS**G310 helixtrans-96.6-15.9175.8-174.20000112.9V444V444-V446 PolarHBondContact O-N 2.81Å; V444-V446 VanDerWaalsContact O-N 3.16Å
447E31.5Very low45.1Very low183 Ų183108.1 Ų108.186%0.85562%0.616SS**THydrogen-bonded Turntrans-115.74-176.5-67.7-166.6166.800115.2V444 G449V444-E447 PolarHBondContact O-N 3.43Å; E447-G449 VanDerWaalsContact C-N 3.33Å; E447-G449 PolarHBondContact O-N 3.02Å
448S27.8Very low41.7Very low92 Ų92111.3 Ų111.364%0.64364%0.638SS**  trans-9531.7174.255.90000114.1
449G25.9Very low38.6Very low66 Ų66116.3 Ų116.368%0.6866%0.662SS**SBendtrans-106.9106.5168.600000111.1E447E447-G449 VanDerWaalsContact C-N 3.33Å; E447-G449 PolarHBondContact O-N 3.02Å
450D26.5Very low35.5Very low155 Ų155119.4 Ų119.483%0.82969%0.685SS**  trans13.3115.8166.3-81.9-35.1000119N452D450-N452 PolarHBondContact O-N 3.37Å
451H25.4Very low32.6Very low193 Ų193124 Ų12489%0.89471%0.71SS**SBendtrans-54.484.5152.2-70-69.5000110.9
452N26.9Very low30.5Very low156 Ų156126.1 Ų126.183%0.83472%0.719SS**SBendtrans178.665.3152.3-91.2-22.5000110.8D450D450-N452 PolarHBondContact O-N 3.37Å
453S23.9Very low28.8Very low103 Ų103127.1 Ų127.172%0.7272%0.724SS**  trans167124.1143.345.80000105.8P455S453-P455 WeakPolarHBondContact O-CD 3.38Å; S453-P455 VanDerWaalsContact O-N 3.11Å
454V23.9Very low27.3Very low127 Ų127129.9 Ų129.977%0.7774%0.74SS**  trans-61110.1171-178.30000106.7V456V454-V456 HydrophobicContact CG1-CG2 3.74Å; V454-V456 PolarHBondContact O-N 2.74Å
455P24Very low26.4Very low103 Ų103130.5 Ų130.567%0.66975%0.749SS**  trans-79.888.5162.37.614.9000103.4S453 H457S453-P455 WeakPolarHBondContact O-CD 3.38Å; S453-P455 VanDerWaalsContact O-N 3.11Å; P455-H457 PolarHBondContact O-N 2.93Å
456V25.9Very low26Very low96 Ų96133.2 Ų133.258%0.58275%0.754SS**  trans-54.3104.7151.8-174.60000103.2V454 T458V454-V456 HydrophobicContact CG1-CG2 3.74Å; V454-V456 PolarHBondContact O-N 2.74Å; V456-T458 HydrophobicContact CG1-CG2 4.25Å; V456-T458 WeakPolarHBondContact CG1-OG1 3.23Å; V456-T458 PolarHBondContact O-N 3.48Å; V456-T458 PolarHBondContact O-OG1 3.34Å; V456-T458 VanDerWaalsContact O-OG1 3.04Å
457H24.7Very low25.7Very low180 Ų180134.4 Ų134.483%0.83375%0.754SS**  trans-64.864.9152.3-84.1-70.7000106.9P455 L459P455-H457 PolarHBondContact O-N 2.93Å; H457-L459 PolarHBondContact O-N 2.87Å; H457-L459 VanDerWaalsContact O-N 3.13Å
458T23.6Very low25.4Very low101 Ų101128.8 Ų128.862%0.6274%0.739SS**  trans-52.6114.3147.2-9.70000102.3V456 S460V456-T458 HydrophobicContact CG1-CG2 4.25Å; V456-T458 WeakPolarHBondContact CG1-OG1 3.23Å; V456-T458 PolarHBondContact O-N 3.48Å; V456-T458 PolarHBondContact O-OG1 3.34Å; V456-T458 VanDerWaalsContact O-OG1 3.04Å; T458-S460 PolarHBondContact O-N 3.17Å
459L26.2Very low25.3Very low164 Ų164132.7 Ų132.786%0.85975%0.752SS**  trans-42.699165-76.479.1000106.4H457 N461H457-L459 PolarHBondContact O-N 2.87Å; H457-L459 VanDerWaalsContact O-N 3.13Å; L459-N461 PolarHBondContact O-N 3.4Å
460S24Very low25.2Very low106 Ų106136 Ų13674%0.74176%0.755SS**  trans-68.894.9168.253.60000103.6T458 I462T458-S460 PolarHBondContact O-N 3.17Å; S460-I462 PolarHBondContact O-N 3.12Å
461N23.4Very low25.3Very low129 Ų129134.2 Ų134.269%0.6975%0.754SS**  trans3780.8144.9-67.2-11.1000113.1L459 E463L459-N461 PolarHBondContact O-N 3.4Å; N461-E463 HydrophobicContact CB-CG 4.1Å; N461-E463 PolarHBondContact O-N 3.47Å
462I28.1Very low25.3Very low168 Ų168132.6 Ų132.686%0.86275%0.751SS**  trans-66.684.6132.6-62.5175.7000103.5S460 S464S460-I462 PolarHBondContact O-N 3.12Å; I462-S464 PolarHBondContact O-N 3.46Å
463E25.2Very low25.2Very low148 Ų148133 Ų13369%0.69275%0.748SS**  trans-43.1119.8161.6-78.8179159.800105.5N461 S465N461-E463 HydrophobicContact CB-CG 4.1Å; N461-E463 PolarHBondContact O-N 3.47Å; E463-S465 VanDerWaalsContact C-N 3.28Å; E463-S465 PolarHBondContact O-N 3.14Å
464S25Very low25.2Very low104 Ų104133.5 Ų133.573%0.72775%0.75SS**  trans-48.5106.5161.6-46.50000105.7I462 K466I462-S464 PolarHBondContact O-N 3.46Å; S464-K466 PolarHBondContact O-N 3.2Å
465S26.1Very low25.3Very low105 Ų105136.8 Ų136.873%0.73475%0.754SS**  trans-63.579169.6-470000106.6E463 I467E463-S465 VanDerWaalsContact C-N 3.28Å; E463-S465 PolarHBondContact O-N 3.14Å; S465-I467 PolarHBondContact O-N 2.88Å
466K23.7Very low25.6Very low190 Ų190139.3 Ų139.383%0.82676%0.76SS**  trans-59.784.5149.5-76.1178.6178.1175.20104.2S464 A468S464-K466 PolarHBondContact O-N 3.2Å; K466-A468 PolarHBondContact O-N 3.26Å
467I27.9Very low25.5Very low153 Ų153143.5 Ų143.579%0.78577%0.77SS**  trans-66.479.6153.5-60.2174.2000103.8S465 L469S465-I467 PolarHBondContact O-N 2.88Å; I467-L469 PolarHBondContact O-N 3.23Å
468A24.6Very low25.5Very low65 Ų65142.2 Ų142.254%0.53777%0.77SS.*  trans-53.4122.6154.900000105.5K466 N470K466-A468 PolarHBondContact O-N 3.26Å; A468-N470 PolarHBondContact O-N 3.27Å
469L27.4Very low25.6Very low175 Ų175145.8 Ų145.892%0.91678%0.78SS**  trans-39.985.6154.7-88.5144.2000109.7I467I467-L469 PolarHBondContact O-N 3.23Å
470N22.4Very low25.5Very low136 Ų136145 Ų14573%0.72778%0.776SS**  trans-123.9100.7163.6-86.2-14.2000106.1A468 L472A468-N470 PolarHBondContact O-N 3.27Å; N470-L472 PolarHBondContact O-N 2.96Å
471S29.5Very low25.5Very low117 Ų117145.9 Ų145.982%0.81878%0.781SS**  trans-33.7102.8163.7-157.20000110.1
472L25Very low25.5Very low159 Ų159147.9 Ų147.983%0.83279%0.786SS**  trans-96.697165.6-105.5150.4000106.3N470 C474N470-L472 PolarHBondContact O-N 2.96Å; L472-C474 PolarHBondContact O-N 3.09Å
473E24.3Very low25.3Very low165 Ų165146.5 Ų146.577%0.77179%0.786SS**  trans-5283.7162.9-65.4175.8148.200110.2K475E473-K475 PolarHBondContact O-N 3.49Å
474C24.7Very low25.4Very low112 Ų112143.3 Ų143.376%0.75778%0.784SS**  trans-86.891.6158.2-88.70000108.2L472 I476L472-C474 PolarHBondContact O-N 3.09Å; C474-I476 PolarHBondContact O-N 3.1Å
475K25.3Very low25.6Very low196 Ų196148.2 Ų148.285%0.85279%0.793SS**  trans-43100.5157.4-71.1169.3175.9168.90110E473E473-K475 PolarHBondContact O-N 3.49Å
476I31.2Very low25.6Very low156 Ų156151 Ų15180%0.879%0.794SS**  trans-120.2125.5153.3-59.5-179000106.2C474C474-I476 PolarHBondContact O-N 3.1Å
477K23.9Very low25.9Very low184 Ų184146.4 Ų146.480%0.879%0.792SS**  trans-56.9133.5-160-66.9161.2176.3177.50112.4E479K477-E479 PolarHBondContact O-N 3.2Å
478N23.5Very low26.1Very low154 Ų154144.4 Ų144.482%0.82479%0.786SS**  trans-55.7101.1157.2-70.5-15.9000108.6
479E26.3Very low26.3Very low176 Ų176148.9 Ų148.982%0.82280%0.796SS**  trans-102.9104.5150-76.5-175.3-178.600106.6K477 C481K477-E479 PolarHBondContact O-N 3.2Å; E479-C481 PolarHBondContact O-N 3.06Å; E479-C481 VanDerWaalsContact O-N 3.12Å
480N23.2Very low26.6Very low148 Ų148150 Ų15079%0.79179%0.793SS**  trans-52113.7168.9-64.9-11.7000108.3
481C23.9Very low27.2Very low124 Ų124151 Ų15184%0.83880%0.798SS**  trans-130.296.8153.4-155.60000107.6E479 T483E479-C481 PolarHBondContact O-N 3.06Å; E479-C481 VanDerWaalsContact O-N 3.12Å; C481-T483 PolarHBondContact O-N 2.8Å
482E25.1Very low27.2Very low171 Ų171152.7 Ų152.780%0.79980%0.798SS**  trans-48.8134.9169.7-67.5173.6150.700110A484E482-A484 PolarHBondContact O-N 3.37Å
483T23.8Very low27.9Very low138 Ų138149.3 Ų149.385%0.84779%0.787SS**  trans-15.186.8155.439.90000115.3C481 K485C481-T483 PolarHBondContact O-N 2.8Å; T483-K485 PolarHBondContact O-N 3.4Å
484A27.4Very low28.8Very low81 Ų81149 Ų14967%0.66979%0.791SS**  trans-89.795.3154.200000107.3E482 Q486E482-A484 PolarHBondContact O-N 3.37Å; A484-Q486 PolarHBondContact O-N 3.33Å
485K27.6Very low29.6Very low207 Ų207150.3 Ų150.390%0.979%0.79SS**  trans-5790.3159.9-72174.3175.9175.70108T483T483-K485 PolarHBondContact O-N 3.4Å
486Q26.7Very low30.2Very low164 Ų164148 Ų14877%0.76679%0.788SS**  trans-103.893.9163.1-91.6-177.5-6.900108.1A484 V488A484-Q486 PolarHBondContact O-N 3.33Å; Q486-V488 VanDerWaalsContact C-N 3.34Å; Q486-V488 HydrophobicContact CB-CG2 4.19Å; Q486-V488 PolarHBondContact O-N 3.05Å; Q486-V488 VanDerWaalsContact O-N 3.07Å
487A30Very low30.7Very low94 Ų94145.8 Ų145.878%0.77778%0.783SS**  trans-55.5103.5149.800000107.6
488V33.1Very low31.3Very low110 Ų110144.3 Ų144.367%0.66778%0.784SS**  trans-115.380.5162-175.10000104.6Q486Q486-V488 VanDerWaalsContact C-N 3.34Å; Q486-V488 HydrophobicContact CB-CG2 4.19Å; Q486-V488 PolarHBondContact O-N 3.05Å; Q486-V488 VanDerWaalsContact O-N 3.07Å
489H29.1Very low32.1Very low160 Ų160141.8 Ų141.874%0.74178%0.779SS**  58.6109.197.5-123.7-80.8000111.6L491H489-L491 PolarHBondContact O-N 2.96Å; H489-L491 VanDerWaalsContact O-N 3.13Å
490K32.6Very low32.9Very low197 Ų197141.4 Ų141.486%0.85778%0.782SS**  trans-27.1110.4162.5-71.3171.6170.5-176.90111.4
491L34.9Very low33.9Very low157 Ų157139.1 Ų139.182%0.82278%0.778SS**  trans-98.487153.6-74168.2000106H489 S493H489-L491 PolarHBondContact O-N 2.96Å; H489-L491 VanDerWaalsContact O-N 3.13Å; L491-S493 PolarHBondContact O-N 3.48Å
492D30.5Very low35.1Very low154 Ų154141 Ų14182%0.82478%0.78SS**  trans-68104.8148.5-175.215.6000105.3
493S38.3Very low36.5Very low87 Ų87137.5 Ų137.561%0.60877%0.774SS**  trans-142.285176.8-163.20000108L491 D495L491-S493 PolarHBondContact O-N 3.48Å; S493-D495 PolarHBondContact O-N 3.18Å; S493-D495 VanDerWaalsContact O-N 3.13Å
494D43.2Very low37.6Very low160 Ų160139 Ų13986%0.85678%0.776SS**  trans-79.853.1173.8-150.219.6000109.8
495D41.8Very low38.7Very low138 Ų138141 Ų14174%0.73878%0.78SS**  trans-106.7103.5175.3-90.4-23.3000109.1S493 P497S493-D495 PolarHBondContact O-N 3.18Å; S493-D495 VanDerWaalsContact O-N 3.13Å; D495-P497 VanDerWaalsContact O-CD 3.27Å; D495-P497 WeakPolarHBondContact O-CD 3.49Å
496D37.9Very low39.3Very low149 Ų149136.8 Ų136.880%0.79777%0.774SS**  trans-72.6122.5165.3-161.1-4.7000109.2
497P41.2Very low40.2Very low109 Ų109136 Ų13671%0.70877%0.774SS**  trans-124.2112.2147.934.3-22.1000110.3D495 S499D495-P497 VanDerWaalsContact O-CD 3.27Å; D495-P497 WeakPolarHBondContact O-CD 3.49Å; P497-S499 PolarHBondContact O-N 3.09Å
498D36.9Very low41.1Very low152 Ų152136.5 Ų136.581%0.81377%0.769SS**  trans-8115.8140.5-61.5-45.4000114.3
499S40Very low41.7Very low102 Ų102137 Ų13771%0.71378%0.777SS**  trans169.6107.7131.7-171.90000111.8P497 S501P497-S499 PolarHBondContact O-N 3.09Å; S499-S501 PolarHBondContact O-N 3.11Å
500D44.3Very low42.6Very low167 Ų167133.5 Ų133.589%0.89376%0.764SS**  trans-1.187.2149.5-59.2-36.3000117.3
501S44.1Very low43Very low100 Ų100128.6 Ų128.670%0.69975%0.754SS**  trans-168.548.5154.854.80000113.5S499 S503S499-S501 PolarHBondContact O-N 3.11Å; S501-S503 PolarHBondContact O-N 2.93Å
502D47.8Very low43.3Very low164 Ų164126.3 Ų126.388%0.87775%0.751SS**  trans-75.173.5167.9-77.5-21000110.2L504D502-L504 PolarHBondContact O-N 3.34Å; D502-L504 VanDerWaalsContact O-N 3.08Å
503S54.6Low43.9Very low98 Ų98122.5 Ų122.569%0.68574%0.736SS**  trans-59.8109.5148680000105.6S501 T505S501-S503 PolarHBondContact O-N 2.93Å; S503-T505 PolarHBondContact O-N 3.36Å
504L46.9Very low44.2Very low170 Ų170125.6 Ų125.689%0.8975%0.746SS**  trans-36.1103.6176.8-69.4163.3000109.8D502 P506D502-L504 PolarHBondContact O-N 3.34Å; D502-L504 VanDerWaalsContact O-N 3.08Å; L504-P506 WeakPolarHBondContact O-CD 3.48Å
505T51.6Low44.2Very low121 Ų121120.3 Ų120.374%0.74272%0.721SS**PPolyproline II helixtrans-68.3125178360000107S503 L507S503-T505 PolarHBondContact O-N 3.36Å; T505-L507 PolarHBondContact O-N 3.43Å
506P40.4Very low44.5Very low119 Ų119120 Ų12077%0.77372%0.72SS**PPolyproline II helixtrans-60.3135.2178.92.6-2.3000109.6L504L504-P506 WeakPolarHBondContact O-CD 3.48Å
507L45.2Very low45.1Very low147 Ų147120.5 Ų120.577%0.7772%0.722SS**PPolyproline II helixtrans-51.3133.6175.5-78.3149.1000109.4T505 S509T505-L507 PolarHBondContact O-N 3.43Å; L507-S509 PolarHBondContact O-N 3.14Å
508P48.7Very low46.2Very low105 Ų105122 Ų12268%0.68272%0.718SS**PPolyproline II helixtrans-56133.6-177.119.1-29.8000110.7I510P508-I510 PolarHBondContact O-N 2.99Å
509S44.8Very low48Very low120 Ų120118.6 Ų118.684%0.83970%0.702SS**  trans-61.3106.2176.7-49.10000108.9L507 S511L507-S509 PolarHBondContact O-N 3.14Å; S509-S511 VanDerWaalsContact C-N 3.26Å; S509-S511 PolarHBondContact O-N 3.33Å
510I49.6Very low50Low88 Ų88114 Ų11445%0.45167%0.67SS.*  trans-68.892.8173.6-56175.1000106.2P508 S512P508-I510 PolarHBondContact O-N 2.99Å; I510-S512 PolarHBondContact O-N 2.93Å
511S40Very low51.9Low94 Ų94113.6 Ų113.666%0.65766%0.661SS**  trans-51.4133.1167.156.30000107.8S509 S513S509-S511 VanDerWaalsContact C-N 3.26Å; S509-S511 PolarHBondContact O-N 3.33Å; S511-S513 PolarHBondContact O-N 2.82Å
512S41.4Very low54.1Low108 Ų108117.1 Ų117.176%0.75566%0.66SS**  trans-60.575.2176.256.40000110.7I510 N514I510-S512 PolarHBondContact O-N 2.93Å; S512-N514 PolarHBondContact O-N 2.78Å
513S43.8Very low56.2Low74 Ų74109.9 Ų109.952%0.51762%0.621SS.*  trans-66.4119167.453.20000106.2S511 C515S511-S513 PolarHBondContact O-N 2.82Å; S513-C515 PolarHBondContact O-N 2.83Å; S513-C515 PolarHBondContact O-SG 2.73Å
514N43.2Very low58Low152 Ų152113.5 Ų113.581%0.81362%0.62SS**  trans-50.996.7173.4-76-32.6000110.4S512 N516S512-N514 PolarHBondContact O-N 2.78Å; N514-N516 PolarHBondContact O-N 3.36Å
515C43.3Very low60.2Low50 Ų50110 Ų11034%0.33860%0.599SS.*  trans-7533.8-174.3-730000114.1S513 N517S513-C515 PolarHBondContact O-N 2.83Å; S513-C515 PolarHBondContact O-SG 2.73Å; C515-N517 PolarHBondContact O-N 3.45Å
516N48.6Very low62.2Low132 Ų132104.2 Ų104.271%0.70656%0.563SS**THydrogen-bonded Turntrans-83-5.9-175.5-77.4-6.4000114.7N514N514-N516 PolarHBondContact O-N 3.36Å
517N51.7Low64.7Low159 Ų15998.9 Ų98.985%0.8553%0.528SS*.THydrogen-bonded Turntrans-99.88.5-170-74.71.3000115.9C515C515-N517 PolarHBondContact O-N 3.45Å
518K64.1Low66.9Low141 Ų14196.4 Ų96.461%0.61352%0.516SS*.  trans-139.251.6176.9-64.3-174.5-178.2179.20112.7P520 V540 A543K518-P520 WeakPolarHBondContact O-CD 3.18Å; K518-V540 HydrophobicContact CD-CG2 3.91Å; K518-A543 WeakPolarHBondContact O-CB 3.39Å
519T74.1Confident69Low79 Ų7991.7 Ų91.749%0.48549%0.486SS..  trans-72119.3170.3-49.40000108.9
520P81.9Confident71.2Confident5 Ų586.1 Ų86.13%0.03245%0.447CS..  trans-65146178.526.2-32.9000110.6K518 E525 C526 C544 S547 L551K518-P520 WeakPolarHBondContact O-CD 3.18Å; P520-E525 HydrophobicContact CB-CB 4.44Å; P520-E525 HydrophobicContact CB-CG 4.05Å; P520-C526 HydrophobicContact CB-CB 4.08Å; P520-C526 HydrophobicContact CG-CB 3.84Å; P520-C544 HydrophobicContact CG-CB 4.31Å; P520-S547 VanDerWaalsContact CD-OG 3.31Å; P520-S547 WeakPolarHBondContact CD-OG 3.35Å; P520-S547 WeakPolarHBondContact CG-OG 3.43Å; P520-L551 HydrophobicContact CB-CD1 4.37Å; P520-L551 HydrophobicContact CG-CD1 3.84Å; P520-L551 WeakPolarHBondContact O-CD1 3.28Å
521F83.6Confident73.2Confident160 Ų16085.7 Ų85.770%0.70245%0.445SS*.  trans-99.1-29.7178.4-75.3-84.1000112.2E525F521-E525 PolarHBondContact N-OE2 3.28Å
522Y90.7Very high75.5Confident174 Ų17484 Ų8468%0.68243%0.429SS*.SBendtrans-106.7145.6-177-62.1-71.7000112.1R524 E525 C526Y522-R524 VanDerWaalsContact C-N 3.33Å; Y522-R524 PolarHBondContact O-N 3.29Å; Y522-E525 PolarHBondContact O-N 3.22Å; Y522-C526 PolarHBondContact O-N 3.32Å
523L91.9Very high77.5Confident11 Ų1184.6 Ų84.66%0.05843%0.432CS..Hα-helixtrans-60.1-39.4178.5-74.3173000113C526 L527 L551 I552 H555 A558 A559 L562 F566L523-C526 WeakPolarHBondContact O-CB 3.36Å; L523-C526 PolarHBondContact O-N 3.48Å; L523-L527 WeakPolarHBondContact O-CB 3.3Å; L523-L527 PolarHBondContact O-N 3.16Å; L523-L551 HydrophobicContact CD2-CB 4Å; L523-I552 HydrophobicContact CD2-CG1 4.2Å; L523-H555 HydrophobicContact CD1-CB 3.87Å; L523-H555 HydrophobicContact CG-CB 4.35Å; L523-A558 HydrophobicContact CD1-CB 3.73Å; L523-A559 HydrophobicContact CD1-CB 3.91Å; L523-L562 HydrophobicContact CB-CD1 3.88Å; L523-F566 HydrophobicContact CB-CE2 4.18Å; L523-F566 HydrophobicContact CB-CZ 4.27Å; L523-F566 HydrophobicContact CD2-CE2 4.14Å; L523-F566 HydrophobicContact CD2-CZ 3.99Å; L523-F566 WeakPolarHBondContact O-CZ 3.36Å
524R93.1Very high79.5Confident174 Ų17487.8 Ų87.866%0.65744%0.437SS*.Hα-helixtrans-67.8-42.8177.3-70-166.8-172.3173.23.4112.2Y522 C526 L527 D528 L562Y522-R524 VanDerWaalsContact C-N 3.33Å; Y522-R524 PolarHBondContact O-N 3.29Å; R524-C526 VanDerWaalsContact C-N 3.29Å; R524-C526 PolarHBondContact O-N 3.2Å; R524-L527 PolarHBondContact O-N 3.48Å; R524-L527 VanDerWaalsContact O-N 3.13Å; R524-D528 WeakPolarHBondContact O-CB 2.98Å; R524-D528 VanDerWaalsContact O-CG 3.23Å; R524-D528 PolarHBondContact O-N 3.1Å; R524-L562 HydrophobicContact CG-CD1 3.88Å
525E92.1Very high81.3Confident96 Ų9687.1 Ų87.145%0.44943%0.432SS..Hα-helixtrans-59.2-42.3174.4-177.8-174.3-163.700111.2P520 F521 Y522 G529P520-E525 HydrophobicContact CB-CB 4.44Å; P520-E525 HydrophobicContact CB-CG 4.05Å; F521-E525 PolarHBondContact N-OE2 3.28Å; Y522-E525 PolarHBondContact O-N 3.22Å; E525-G529 PolarHBondContact O-N 3.08Å
526C93.7Very high83.2Confident0 Ų092.9 Ų92.90%045%0.454CS..Hα-helixtrans-62-43.8174.3-175.60000112P520 Y522 L523 R524 M530 C544 L551P520-C526 HydrophobicContact CB-CB 4.08Å; P520-C526 HydrophobicContact CG-CB 3.84Å; Y522-C526 PolarHBondContact O-N 3.32Å; L523-C526 WeakPolarHBondContact O-CB 3.36Å; L523-C526 PolarHBondContact O-N 3.48Å; R524-C526 VanDerWaalsContact C-N 3.29Å; R524-C526 PolarHBondContact O-N 3.2Å; C526-M530 VanDerWaalsContact O-CG 3.28Å; C526-M530 WeakPolarHBondContact O-CG 3.2Å; C526-M530 PolarHBondContact O-N 2.8Å; C526-M530 VanDerWaalsContact O-N 3.08Å; C526-C544 WeakPolarHBondContact O-CB 3.37Å; C526-C544 PolarHBondContact SG-O 2.94Å; C526-C544 VanDerWaalsContact SG-O 3.34Å; C526-L551 HydrophobicContact CB-CD1 3.89Å
527L92.9Very high85Confident8 Ų888.9 Ų88.94%0.04243%0.432CS..Hα-helixtrans-66.6-47.6179.8-170150.4000111.6L523 R524 G529 M530 L531 E565 F566 V569L523-L527 WeakPolarHBondContact O-CB 3.3Å; L523-L527 PolarHBondContact O-N 3.16Å; R524-L527 PolarHBondContact O-N 3.48Å; R524-L527 VanDerWaalsContact O-N 3.13Å; L527-G529 VanDerWaalsContact C-N 3.3Å; L527-G529 PolarHBondContact O-N 3.36Å; L527-M530 WeakPolarHBondContact O-CB 3.36Å; L527-M530 PolarHBondContact O-N 3.18Å; L527-L531 HydrophobicContact CD2-CD1 3.65Å; L527-L531 HydrophobicContact CD2-CG 4.37Å; L527-L531 PolarHBondContact O-N 3.27Å; L527-E565 HydrophobicContact CD1-CB 3.61Å; L527-F566 HydrophobicContact CB-CE1 4.16Å; L527-F566 HydrophobicContact CB-CE2 4.38Å; L527-F566 HydrophobicContact CB-CZ 3.96Å; L527-F566 HydrophobicContact CD1-CD1 4.32Å; L527-F566 HydrophobicContact CD1-CD2 3.84Å; L527-F566 HydrophobicContact CD1-CE1 4.43Å; L527-F566 HydrophobicContact CD1-CE2 3.96Å; L527-F566 HydrophobicContact CD1-CG 4.03Å; L527-F566 HydrophobicContact CD1-CZ 4.26Å; L527-V569 HydrophobicContact CD2-CG2 4.42Å; L527-V569 HydrophobicContact CG-CG2 4.41Å
528D92.6Very high86.7Confident95 Ų9582.2 Ų82.251%0.50840%0.397SS..Hα-helixtrans-61.2-41.4177.4-67.2-24.9000110.6R524 M530 L531 L532R524-D528 WeakPolarHBondContact O-CB 2.98Å; R524-D528 VanDerWaalsContact O-CG 3.23Å; R524-D528 PolarHBondContact O-N 3.1Å; D528-M530 VanDerWaalsContact C-N 3.32Å; D528-M530 PolarHBondContact O-N 3.44Å; D528-L531 WeakPolarHBondContact O-CB 3.22Å; D528-L531 PolarHBondContact O-N 3.3Å; D528-L531 VanDerWaalsContact O-N 3.1Å; D528-L532 PolarHBondContact O-N 2.74Å
529G91.4Very high87.9Confident5 Ų578 Ų785%0.05238%0.384CS..Hα-helixtrans-63-3417600000113.8E525 L527 L531 L532 N541E525-G529 PolarHBondContact O-N 3.08Å; L527-G529 VanDerWaalsContact C-N 3.3Å; L527-G529 PolarHBondContact O-N 3.36Å; G529-L531 VanDerWaalsContact C-N 3.31Å; G529-L532 WeakPolarHBondContact O-CB 3.42Å; G529-L532 PolarHBondContact O-N 3.05Å; G529-N541 WeakPolarHBondContact O-CA 3.06Å
530M91.2Very high88.6Confident3 Ų375.6 Ų75.62%0.01537%0.369CS..Hα-helixtrans-72.8-22.4173.8-72.1172.368.800113.6C526 L527 D528 L532 N541 C544 A548 F566 V569 L570C526-M530 VanDerWaalsContact O-CG 3.28Å; C526-M530 WeakPolarHBondContact O-CG 3.2Å; C526-M530 PolarHBondContact O-N 2.8Å; C526-M530 VanDerWaalsContact O-N 3.08Å; L527-M530 WeakPolarHBondContact O-CB 3.36Å; L527-M530 PolarHBondContact O-N 3.18Å; D528-M530 VanDerWaalsContact C-N 3.32Å; D528-M530 PolarHBondContact O-N 3.44Å; M530-L532 VanDerWaalsContact C-N 3.33Å; M530-N541 PolarHBondContact O-ND2 3.12Å; M530-C544 HydrophobicContact CG-CB 3.8Å; M530-A548 HydrophobicContact SD-CB 4.26Å; M530-F566 HydrophobicContact SD-CE1 4.43Å; M530-V569 HydrophobicContact CB-CG1 3.93Å; M530-V569 HydrophobicContact CE-CG1 3.71Å; M530-L570 HydrophobicContact CE-CD2 3.39Å; M530-L570 HydrophobicContact CE-CG 4.03Å
531L92.1Very high89Confident79 Ų7975.8 Ų75.841%0.41437%0.37SS..THydrogen-bonded Turntrans-83-9.8176.9-73.3172.4000112.9L527 D528 G529 S533 V569 I573L527-L531 HydrophobicContact CD2-CD1 3.65Å; L527-L531 HydrophobicContact CD2-CG 4.37Å; L527-L531 PolarHBondContact O-N 3.27Å; D528-L531 WeakPolarHBondContact O-CB 3.22Å; D528-L531 PolarHBondContact O-N 3.3Å; D528-L531 VanDerWaalsContact O-N 3.1Å; G529-L531 VanDerWaalsContact C-N 3.31Å; L531-S533 PolarHBondContact O-N 3.46Å; L531-V569 HydrophobicContact CD2-CG2 3.76Å; L531-V569 HydrophobicContact CG-CG2 4.13Å; L531-I573 HydrophobicContact CD2-CD1 3.93Å; L531-I573 HydrophobicContact CD2-CG1 4.01Å
532L88.9Confident89.4Confident60 Ų6069.4 Ų69.431%0.31434%0.343SS..  trans-67120.9178.1-61174.5000110.5D528 G529 M530 D537 V540 N541D528-L532 PolarHBondContact O-N 2.74Å; G529-L532 WeakPolarHBondContact O-CB 3.42Å; G529-L532 PolarHBondContact O-N 3.05Å; M530-L532 VanDerWaalsContact C-N 3.33Å; L532-D537 HydrophobicContact CB-CB 3.77Å; L532-D537 HydrophobicContact CD1-CB 3.81Å; L532-D537 HydrophobicContact CG-CB 4.27Å; L532-V540 HydrophobicContact CD1-CB 4.22Å; L532-V540 HydrophobicContact CD1-CG1 3.97Å; L532-N541 PolarHBondContact O-ND2 2.84Å
533S82Confident89.4Confident119 Ų11961.6 Ų61.683%0.83231%0.314SS*.  trans-106.8-7.1-178.757.90000114.2L531L531-S533 PolarHBondContact O-N 3.46Å
534K85.7Confident89.4Confident142 Ų14261.2 Ų61.262%0.61731%0.313SS*.SBendtrans-73.6143-179.9-63.9-178.2179.7-178.40110.8E536 D537 N538K534-E536 VanDerWaalsContact C-N 3.26Å; K534-E536 PolarHBondContact O-N 2.99Å; K534-D537 HydrophobicContact CB-CB 4.38Å; K534-D537 PolarHBondContact O-N 2.98Å; K534-N538 PolarHBondContact O-N 3.28Å
535I81Confident89.4Confident137 Ų13753 Ų5370%0.70328%0.282SS*.G310 helixtrans-58-39.5-179.8-59.9173.3000111.3D537 N538I535-D537 VanDerWaalsContact C-N 3.26Å; I535-D537 PolarHBondContact O-N 3.16Å; I535-N538 WeakPolarHBondContact O-CB 3.47Å; I535-N538 PolarHBondContact O-N 2.87Å
536E84.5Confident89.5Confident171 Ų17151.8 Ų51.880%0.79928%0.277SS*.G310 helixtrans-64.2-29.5179.2-60.7175.7-172.200113.2K534 P539K534-E536 VanDerWaalsContact C-N 3.26Å; K534-E536 PolarHBondContact O-N 2.99Å; E536-P539 WeakPolarHBondContact O-CD 3.34Å
537D85.6Confident89.4Confident48 Ų4852.3 Ų52.326%0.25728%0.28SS..G310 helixtrans-94.2-5.4-177.1-67.5-40.5000112.9L532 K534 I535 P539 V540 N541L532-D537 HydrophobicContact CB-CB 3.77Å; L532-D537 HydrophobicContact CD1-CB 3.81Å; L532-D537 HydrophobicContact CG-CB 4.27Å; K534-D537 HydrophobicContact CB-CB 4.38Å; K534-D537 PolarHBondContact O-N 2.98Å; I535-D537 VanDerWaalsContact C-N 3.26Å; I535-D537 PolarHBondContact O-N 3.16Å; D537-P539 VanDerWaalsContact C-CD 3.4Å; D537-V540 WeakPolarHBondContact O-CA 3.4Å; D537-V540 WeakPolarHBondContact O-CB 3.32Å; D537-V540 PolarHBondContact O-N 2.85Å; D537-N541 PolarHBondContact O-N 3.29Å
538N87.4Confident89.5Confident19 Ų1951.9 Ų51.910%0.10228%0.278CS..Hα-helixtrans-49.3-42.2177.4-170.755.9000114.9K534 I535 V540 N541 I542 P576 V577K534-N538 PolarHBondContact O-N 3.28Å; I535-N538 WeakPolarHBondContact O-CB 3.47Å; I535-N538 PolarHBondContact O-N 2.87Å; N538-V540 VanDerWaalsContact C-N 3.27Å; N538-V540 PolarHBondContact O-N 2.77Å; N538-N541 PolarHBondContact O-N 2.74Å; N538-I542 WeakPolarHBondContact O-CG1 3.36Å; N538-I542 PolarHBondContact O-N 2.84Å; N538-P576 WeakPolarHBondContact OD1-CB 3.44Å; N538-V577 PolarHBondContact ND2-O 3.14Å; N538-V577 PolarHBondContact OD1-N 3.47Å; N538-V577 PolarHBondContact OD1-O 2.94Å
539P88.7Confident89.7Confident53 Ų5350 Ų5034%0.34427%0.267SS..Hα-helixtrans-63.5-31.4175.224.7-35.2000113.3E536 D537 A543E536-P539 WeakPolarHBondContact O-CD 3.34Å; D537-P539 VanDerWaalsContact C-CD 3.4Å; P539-A543 WeakPolarHBondContact O-CB 3.34Å; P539-A543 PolarHBondContact O-N 3.44Å
540V89.4Confident89.9Confident29 Ų2957.5 Ų57.518%0.17630%0.297CS..Hα-helixtrans-70.4-43.4174.5-179.60000110K518 L532 D537 N538 I542 A543 C544K518-V540 HydrophobicContact CD-CG2 3.91Å; L532-V540 HydrophobicContact CD1-CB 4.22Å; L532-V540 HydrophobicContact CD1-CG1 3.97Å; D537-V540 WeakPolarHBondContact O-CA 3.4Å; D537-V540 WeakPolarHBondContact O-CB 3.32Å; D537-V540 PolarHBondContact O-N 2.85Å; N538-V540 VanDerWaalsContact C-N 3.27Å; N538-V540 PolarHBondContact O-N 2.77Å; V540-I542 PolarHBondContact O-N 3.5Å; V540-A543 PolarHBondContact O-N 3.38Å; V540-C544 WeakPolarHBondContact O-CB 3.36Å; V540-C544 PolarHBondContact O-N 3.45Å; V540-C544 PolarHBondContact O-SG 2.89Å
541N90.7Very high90Very high8 Ų858.3 Ų58.34%0.04330%0.302CS..Hα-helixtrans-59.2-46.6175.9-170.3-38.3000111.7G529 M530 L532 D537 N538 A543 C544 T545 P576G529-N541 WeakPolarHBondContact O-CA 3.06Å; M530-N541 PolarHBondContact O-ND2 3.12Å; L532-N541 PolarHBondContact O-ND2 2.84Å; D537-N541 PolarHBondContact O-N 3.29Å; N538-N541 PolarHBondContact O-N 2.74Å; N541-A543 PolarHBondContact O-N 3.41Å; N541-C544 PolarHBondContact O-N 3.19Å; N541-T545 WeakPolarHBondContact O-CB 3.38Å; N541-T545 PolarHBondContact O-N 3.45Å; N541-T545 PolarHBondContact O-OG1 3.48Å; N541-T545 PolarHBondContact OD1-OG1 3.11Å; N541-P576 HydrophobicContact CB-CB 4.1Å; N541-P576 WeakPolarHBondContact OD1-CG 3.27Å
542I90.9Very high90.3Very high27 Ų2754.6 Ų54.614%0.13828%0.282CS..Hα-helixtrans-56.5-51174.1-70.3170.3000110.6N538 V540 C544 T545 M546 P576 I584N538-I542 WeakPolarHBondContact O-CG1 3.36Å; N538-I542 PolarHBondContact O-N 2.84Å; V540-I542 PolarHBondContact O-N 3.5Å; I542-C544 PolarHBondContact O-N 3.47Å; I542-T545 PolarHBondContact O-N 2.9Å; I542-M546 HydrophobicContact CG2-CG 4.4Å; I542-M546 WeakPolarHBondContact O-CB 3.37Å; I542-M546 WeakPolarHBondContact O-CG 3.49Å; I542-M546 PolarHBondContact O-N 2.69Å; I542-P576 HydrophobicContact CG1-CB 3.85Å; I542-P576 HydrophobicContact CG1-CG 3.95Å; I542-I584 HydrophobicContact CG1-CD1 4.43Å; I542-I584 HydrophobicContact CG2-CD1 4.19Å
543A91.1Very high90.6Very high10 Ų1055.4 Ų55.48%0.08328%0.282CS..Hα-helixtrans-61.7-43-179.200000112.4K518 P539 V540 N541 M546 S547K518-A543 WeakPolarHBondContact O-CB 3.39Å; P539-A543 WeakPolarHBondContact O-CB 3.34Å; P539-A543 PolarHBondContact O-N 3.44Å; V540-A543 PolarHBondContact O-N 3.38Å; N541-A543 PolarHBondContact O-N 3.41Å; A543-M546 PolarHBondContact O-N 2.93Å; A543-S547 VanDerWaalsContact O-CB 3.31Å; A543-S547 WeakPolarHBondContact O-CB 3.45Å; A543-S547 PolarHBondContact O-N 3.3Å; A543-S547 PolarHBondContact O-OG 3.15Å; A543-S547 VanDerWaalsContact O-OG 3.07Å
544C93.4Very high91.1Very high3 Ų352.7 Ų52.72%0.0227%0.267CS..Hα-helixtrans-63.5-49.9177.6-65.70000111P520 C526 M530 V540 N541 I542 M546 S547 A548P520-C544 HydrophobicContact CG-CB 4.31Å; C526-C544 WeakPolarHBondContact O-CB 3.37Å; C526-C544 PolarHBondContact SG-O 2.94Å; C526-C544 VanDerWaalsContact SG-O 3.34Å; M530-C544 HydrophobicContact CG-CB 3.8Å; V540-C544 WeakPolarHBondContact O-CB 3.36Å; V540-C544 PolarHBondContact O-N 3.45Å; V540-C544 PolarHBondContact O-SG 2.89Å; N541-C544 PolarHBondContact O-N 3.19Å; I542-C544 PolarHBondContact O-N 3.47Å; C544-M546 VanDerWaalsContact C-N 3.31Å; C544-M546 PolarHBondContact O-N 2.9Å; C544-S547 PolarHBondContact O-N 2.86Å; C544-S547 VanDerWaalsContact O-N 3.11Å; C544-S547 PolarHBondContact O-OG 3.38Å; C544-A548 PolarHBondContact O-N 3.46Å
545T92.5Very high91.6Very high2 Ų250.2 Ų50.21%0.01226%0.257CS..Hα-helixtrans-56.7-44177.5-61.80000112.1N541 I542 S547 I584 A587 R588N541-T545 WeakPolarHBondContact O-CB 3.38Å; N541-T545 PolarHBondContact O-N 3.45Å; N541-T545 PolarHBondContact O-OG1 3.48Å; N541-T545 PolarHBondContact OD1-OG1 3.11Å; I542-T545 PolarHBondContact O-N 2.9Å; T545-S547 VanDerWaalsContact C-N 3.33Å; T545-S547 PolarHBondContact O-N 3.42Å; T545-I584 HydrophobicContact CG2-CD1 4.24Å; T545-I584 HydrophobicContact CG2-CG2 4.23Å; T545-A587 HydrophobicContact CG2-CB 4.39Å; T545-R588 HydrophobicContact CG2-CG 3.42Å; T545-R588 VanDerWaalsContact CG2-CG 3.42Å
546M92.9Very high92.1Very high69 Ų6946.4 Ų46.434%0.3424%0.241SC..Hα-helixtrans-70.5-26.7179.7-70.8-63.3-68.400113.7I542 A543 C544 Q583 I584 A587I542-M546 HydrophobicContact CG2-CG 4.4Å; I542-M546 WeakPolarHBondContact O-CB 3.37Å; I542-M546 WeakPolarHBondContact O-CG 3.49Å; I542-M546 PolarHBondContact O-N 2.69Å; A543-M546 PolarHBondContact O-N 2.93Å; C544-M546 VanDerWaalsContact C-N 3.31Å; C544-M546 PolarHBondContact O-N 2.9Å; M546-Q583 HydrophobicContact CE-CG 3.73Å; M546-Q583 HydrophobicContact SD-CG 4.02Å; M546-I584 HydrophobicContact CG-CD1 4.01Å; M546-I584 HydrophobicContact SD-CD1 3.99Å; M546-A587 HydrophobicContact SD-CB 3.54Å; M546-A587 VanDerWaalsContact SD-CB 3.54Å
547S93.4Very high92.6Very high11 Ų1146 Ų468%0.07724%0.24CC..Hα-helixtrans-91.6-18.1-179.269.70000114.1P520 A543 C544 T545 E549 K550 L551P520-S547 VanDerWaalsContact CD-OG 3.31Å; P520-S547 WeakPolarHBondContact CD-OG 3.35Å; P520-S547 WeakPolarHBondContact CG-OG 3.43Å; A543-S547 VanDerWaalsContact O-CB 3.31Å; A543-S547 WeakPolarHBondContact O-CB 3.45Å; A543-S547 PolarHBondContact O-N 3.3Å; A543-S547 PolarHBondContact O-OG 3.15Å; A543-S547 VanDerWaalsContact O-OG 3.07Å; C544-S547 PolarHBondContact O-N 2.86Å; C544-S547 VanDerWaalsContact O-N 3.11Å; C544-S547 PolarHBondContact O-OG 3.38Å; T545-S547 VanDerWaalsContact C-N 3.33Å; T545-S547 PolarHBondContact O-N 3.42Å; S547-E549 PolarHBondContact O-N 2.95Å; S547-K550 PolarHBondContact O-N 2.88Å; S547-K550 VanDerWaalsContact O-N 3.16Å; S547-L551 PolarHBondContact O-N 2.97Å; S547-L551 VanDerWaalsContact O-N 3.14Å
548A94.7Very high92.9Very high0 Ų045.9 Ų45.90%025%0.245CC..Hα-helixtrans-54-48.5-169.700000113.1M530 C544 K550 L551 I552 A591M530-A548 HydrophobicContact SD-CB 4.26Å; C544-A548 PolarHBondContact O-N 3.46Å; A548-K550 VanDerWaalsContact C-N 3.33Å; A548-K550 PolarHBondContact O-N 3.23Å; A548-L551 PolarHBondContact O-N 3.3Å; A548-I552 HydrophobicContact CB-CD1 4.45Å; A548-I552 WeakPolarHBondContact O-CB 3.32Å; A548-I552 VanDerWaalsContact O-CD1 3.29Å; A548-I552 WeakPolarHBondContact O-CD1 3.44Å; A548-I552 WeakPolarHBondContact O-CG1 3.45Å; A548-I552 PolarHBondContact O-N 3.02Å; A548-A591 HydrophobicContact CB-CB 3.77Å
549E96.3Very high93.2Very high56 Ų5645 Ų4526%0.26224%0.24SC..Hα-helixtrans-54.1-49.1-179.9-170.6-159.3179.500111.8S547 L551 I552 Y553 D590 A594 K634S547-E549 PolarHBondContact O-N 2.95Å; E549-L551 PolarHBondContact O-N 3.07Å; E549-I552 PolarHBondContact O-N 3.01Å; E549-Y553 HydrophobicContact CG-CD2 4Å; E549-Y553 HydrophobicContact CG-CE2 3.8Å; E549-Y553 WeakPolarHBondContact O-CD2 3.49Å; E549-Y553 PolarHBondContact O-N 2.87Å; E549-Y553 VanDerWaalsContact O-N 3.15Å; E549-D590 HydrophobicContact CG-CB 4.24Å; E549-A594 HydrophobicContact CG-CB 3.9Å; E549-K634 IonicContact OE1-NZ 3.9Å; E549-K634 PolarHBondContact OE1-NZ 3.46Å
550K94.9Very high93.5Very high161 Ų16146.9 Ų46.970%0.724%0.244SC*.Hα-helixtrans-64.9-42.2-177.6-66.7178.8-178.31730111.3S547 A548 Y553 A554S547-K550 PolarHBondContact O-N 2.88Å; S547-K550 VanDerWaalsContact O-N 3.16Å; A548-K550 VanDerWaalsContact C-N 3.33Å; A548-K550 PolarHBondContact O-N 3.23Å; K550-Y553 PolarHBondContact O-N 2.94Å; K550-A554 WeakPolarHBondContact O-CB 3.42Å; K550-A554 PolarHBondContact O-N 3.41Å
551L94.5Very high93.8Very high21 Ų2152.8 Ų52.811%0.1127%0.27CS..Hα-helixtrans-66.4-39.4178.8-71171.8000112.3P520 L523 C526 S547 A548 E549 Y553 A554 H555P520-L551 HydrophobicContact CB-CD1 4.37Å; P520-L551 HydrophobicContact CG-CD1 3.84Å; P520-L551 WeakPolarHBondContact O-CD1 3.28Å; L523-L551 HydrophobicContact CD2-CB 4Å; C526-L551 HydrophobicContact CB-CD1 3.89Å; S547-L551 PolarHBondContact O-N 2.97Å; S547-L551 VanDerWaalsContact O-N 3.14Å; A548-L551 PolarHBondContact O-N 3.3Å; E549-L551 PolarHBondContact O-N 3.07Å; L551-Y553 VanDerWaalsContact C-N 3.35Å; L551-Y553 PolarHBondContact O-N 3.19Å; L551-A554 PolarHBondContact O-N 3.33Å; L551-H555 PolarHBondContact O-N 3.1Å
552I96.7Very high94Very high0 Ų053.2 Ų53.20%027%0.272CS..Hα-helixtrans-61.1-45.3176.7-70.3158.5000110.7L523 A548 E549 H555 A559 A591 A594 I595 V598L523-I552 HydrophobicContact CD2-CG1 4.2Å; A548-I552 HydrophobicContact CB-CD1 4.45Å; A548-I552 WeakPolarHBondContact O-CB 3.32Å; A548-I552 VanDerWaalsContact O-CD1 3.29Å; A548-I552 WeakPolarHBondContact O-CD1 3.44Å; A548-I552 WeakPolarHBondContact O-CG1 3.45Å; A548-I552 PolarHBondContact O-N 3.02Å; E549-I552 PolarHBondContact O-N 3.01Å; I552-H555 CarbonylContact O-C 3.58Å; I552-H555 PolarHBondContact O-N 3.17Å; I552-A559 HydrophobicContact CG2-CB 4.1Å; I552-A591 HydrophobicContact CD1-CB 4.2Å; I552-A594 HydrophobicContact CB-CB 4.11Å; I552-A594 HydrophobicContact CD1-CB 4.31Å; I552-A594 HydrophobicContact CG2-CB 3.74Å; I552-I595 HydrophobicContact CB-CD1 4.38Å; I552-I595 HydrophobicContact CD1-CD1 3.58Å; I552-I595 HydrophobicContact CD1-CG1 3.57Å; I552-I595 HydrophobicContact CG1-CD1 3.64Å; I552-I595 HydrophobicContact CG1-CG1 4.22Å; I552-I595 HydrophobicContact CG2-CD1 3.8Å; I552-I595 HydrophobicContact CG2-CG1 4.34Å; I552-V598 HydrophobicContact CG2-CB 4.5Å; I552-V598 HydrophobicContact CG2-CG2 3.95Å
553Y95.8Very high94.1Very high78 Ų7852 Ų5231%0.30627%0.266SS..Hα-helixtrans-71.1-29.5176.9-75.1-52.9000113.6E549 K550 L551 H555 A594 V597 V598 K634E549-Y553 HydrophobicContact CG-CD2 4Å; E549-Y553 HydrophobicContact CG-CE2 3.8Å; E549-Y553 WeakPolarHBondContact O-CD2 3.49Å; E549-Y553 PolarHBondContact O-N 2.87Å; E549-Y553 VanDerWaalsContact O-N 3.15Å; K550-Y553 PolarHBondContact O-N 2.94Å; L551-Y553 VanDerWaalsContact C-N 3.35Å; L551-Y553 PolarHBondContact O-N 3.19Å; Y553-H555 VanDerWaalsContact C-N 3.34Å; Y553-A594 HydrophobicContact CD2-CB 4.03Å; Y553-A594 HydrophobicContact CE1-CB 4.16Å; Y553-A594 HydrophobicContact CE2-CB 3.48Å; Y553-A594 VanDerWaalsContact CE2-CB 3.48Å; Y553-A594 WeakPolarHBondContact OH-CA 3.23Å; Y553-V597 HydrophobicContact CE1-CB 4.25Å; Y553-V597 HydrophobicContact CE1-CG1 4.05Å; Y553-V598 HydrophobicContact CD1-CG2 4.29Å; Y553-V598 HydrophobicContact CE1-CG2 4.43Å; Y553-K634 WeakPolarHBondContact OH-CD 3.26Å; Y553-K634 WeakPolarHBondContact OH-CE 3.3Å; Y553-K634 PolarHBondContact OH-NZ 2.9Å
554A93.9Very high94.4Very high62 Ų6255.4 Ų55.451%0.51228%0.283SS..Hα-helixtrans-69.5-30.6175.700000112.8K550 L551K550-A554 WeakPolarHBondContact O-CB 3.42Å; K550-A554 PolarHBondContact O-N 3.41Å; L551-A554 PolarHBondContact O-N 3.33Å
555H94.3Very high94.5Very high89 Ų8960.1 Ų60.141%0.41230%0.304SS..  trans-129.765.3-174.4-58.9-58.2000112.8L523 L551 I552 Y553 E557 A558 A559L523-H555 HydrophobicContact CD1-CB 3.87Å; L523-H555 HydrophobicContact CG-CB 4.35Å; L551-H555 PolarHBondContact O-N 3.1Å; I552-H555 CarbonylContact O-C 3.58Å; I552-H555 PolarHBondContact O-N 3.17Å; Y553-H555 VanDerWaalsContact C-N 3.34Å; H555-E557 PolarHBondContact O-N 3.18Å; H555-A558 HydrophobicContact CB-CB 4.46Å; H555-A558 PolarHBondContact O-N 3.49Å; H555-A559 VanDerWaalsContact O-CB 3.27Å; H555-A559 WeakPolarHBondContact O-CB 3.39Å; H555-A559 PolarHBondContact O-N 3.24Å
556P93.4Very high94.6Very high58 Ų5860 Ų6038%0.37730%0.304SS..Hα-helixtrans-63.7-40.2-17124.5-34.3000113.7A559 Q560 V598P556-A559 PolarHBondContact O-N 2.9Å; P556-Q560 WeakPolarHBondContact O-CG 3.36Å; P556-Q560 PolarHBondContact O-N 3.2Å; P556-V598 HydrophobicContact CB-CG1 3.96Å; P556-V598 HydrophobicContact CB-CG2 4.2Å; P556-V598 WeakPolarHBondContact O-CG1 3.2Å
557E93.8Very high94.8Very high163 Ų16356.7 Ų56.776%0.76229%0.287SS*.Hα-helixtrans-64.6-48.7-178.9-64.1-177.2170.300111.7H555 A559 Q560H555-E557 PolarHBondContact O-N 3.18Å; E557-A559 VanDerWaalsContact C-N 3.32Å; E557-A559 PolarHBondContact O-N 3.43Å; E557-Q560 WeakPolarHBondContact O-CB 3.37Å; E557-Q560 PolarHBondContact O-N 3.05Å; E557-Q560 VanDerWaalsContact O-N 3.16Å
558A92.9Very high94.8Very high44 Ų4463.4 Ų63.436%0.36431%0.311SS..Hα-helixtrans-64.9-36.5175.900000112L523 H555 Q560 E561 L562L523-A558 HydrophobicContact CD1-CB 3.73Å; H555-A558 HydrophobicContact CB-CB 4.46Å; H555-A558 PolarHBondContact O-N 3.49Å; A558-Q560 VanDerWaalsContact C-N 3.28Å; A558-Q560 PolarHBondContact O-N 3.48Å; A558-E561 PolarHBondContact O-N 3.39Å; A558-L562 PolarHBondContact O-N 3.32Å
559A93.8Very high94.8Very high0 Ų063.8 Ų63.80%031%0.313CS..Hα-helixtrans-65.8-28.3174.900000112.8L523 I552 H555 P556 E557 E561 L562 A563 I595 V598L523-A559 HydrophobicContact CD1-CB 3.91Å; I552-A559 HydrophobicContact CG2-CB 4.1Å; H555-A559 VanDerWaalsContact O-CB 3.27Å; H555-A559 WeakPolarHBondContact O-CB 3.39Å; H555-A559 PolarHBondContact O-N 3.24Å; P556-A559 PolarHBondContact O-N 2.9Å; E557-A559 VanDerWaalsContact C-N 3.32Å; E557-A559 PolarHBondContact O-N 3.43Å; A559-E561 VanDerWaalsContact C-N 3.3Å; A559-E561 PolarHBondContact O-N 2.92Å; A559-L562 PolarHBondContact O-N 2.99Å; A559-A563 WeakPolarHBondContact O-CA 3.42Å; A559-A563 WeakPolarHBondContact O-CB 3.44Å; A559-A563 PolarHBondContact O-N 3.34Å; A559-I595 HydrophobicContact CB-CD1 4.39Å; A559-V598 HydrophobicContact CB-CG1 4.05Å
560Q94.6Very high94.7Very high93 Ų9361.2 Ų61.244%0.43530%0.301SS..Hα-helixtrans-67.5-28.4173.6-73.9-179.73.300113.4P556 E557 A558 V598 A599 K602P556-Q560 WeakPolarHBondContact O-CG 3.36Å; P556-Q560 PolarHBondContact O-N 3.2Å; E557-Q560 WeakPolarHBondContact O-CB 3.37Å; E557-Q560 PolarHBondContact O-N 3.05Å; E557-Q560 VanDerWaalsContact O-N 3.16Å; A558-Q560 VanDerWaalsContact C-N 3.28Å; A558-Q560 PolarHBondContact O-N 3.48Å; Q560-V598 HydrophobicContact CG-CG1 3.65Å; Q560-V598 WeakPolarHBondContact CG-O 3.45Å; Q560-V598 PolarHBondContact NE2-O 3.11Å; Q560-A599 HydrophobicContact CG-CB 4.1Å; Q560-K602 PolarHBondContact O-NZ 2.83Å
561E94.6Very high94.5Very high153 Ų15353.9 Ų53.972%0.71527%0.27SS*.Hα-helixtrans-73.9-44.8175.2-61.8-171.8163.900110.7A558 A559 A563A558-E561 PolarHBondContact O-N 3.39Å; A559-E561 VanDerWaalsContact C-N 3.3Å; A559-E561 PolarHBondContact O-N 2.92Å; E561-A563 VanDerWaalsContact C-N 3.31Å; E561-A563 PolarHBondContact O-N 3.36Å
562L94.9Very high94.3Very high18 Ų1855.2 Ų55.29%0.09428%0.275CS..SBendtrans-86.55.1-178.6-59.1174.7000114.1L523 R524 A558 A559 L564 E565 F566L523-L562 HydrophobicContact CB-CD1 3.88Å; R524-L562 HydrophobicContact CG-CD1 3.88Å; A558-L562 PolarHBondContact O-N 3.32Å; A559-L562 PolarHBondContact O-N 2.99Å; L562-L564 VanDerWaalsContact C-N 3.31Å; L562-L564 PolarHBondContact O-N 3.42Å; L562-E565 PolarHBondContact O-N 3.27Å; L562-E565 VanDerWaalsContact O-N 3.09Å; L562-F566 HydrophobicContact CB-CD2 3.81Å; L562-F566 HydrophobicContact CB-CE2 3.96Å; L562-F566 HydrophobicContact CD1-CE2 4.18Å; L562-F566 PolarHBondContact O-N 3.03Å
563A94.3Very high94Very high1 Ų158.2 Ų58.21%0.00829%0.291CS..Hα-helixtrans-56.1-40.1-17000000114.1A559 E561 A567 I595 A599A559-A563 WeakPolarHBondContact O-CA 3.42Å; A559-A563 WeakPolarHBondContact O-CB 3.44Å; A559-A563 PolarHBondContact O-N 3.34Å; E561-A563 VanDerWaalsContact C-N 3.31Å; E561-A563 PolarHBondContact O-N 3.36Å; A563-A567 VanDerWaalsContact O-CB 3.25Å; A563-A567 WeakPolarHBondContact O-CB 3.31Å; A563-A567 PolarHBondContact O-N 3.44Å; A563-I595 HydrophobicContact CB-CG2 3.99Å; A563-A599 HydrophobicContact CB-CB 3.68Å
564L95.9Very high93.5Very high82 Ų8262.4 Ų62.443%0.42931%0.313SS..Hα-helixtrans-72.5-35.6-179.5-64.1-179.4000112.2L562 R568 K602 Y606L562-L564 VanDerWaalsContact C-N 3.31Å; L562-L564 PolarHBondContact O-N 3.42Å; L564-R568 VanDerWaalsContact O-CB 3.31Å; L564-R568 WeakPolarHBondContact O-CB 3.29Å; L564-R568 PolarHBondContact O-N 2.88Å; L564-K602 HydrophobicContact CD2-CB 4.49Å; L564-Y606 HydrophobicContact CD2-CD2 4.14Å; L564-Y606 HydrophobicContact CD2-CG 4.03Å
565E95.6Very high93.2Very high101 Ų10162.9 Ų62.947%0.47231%0.311SS..Hα-helixtrans-69.1-48.2178.6-62176.8-169.100110.1L527 L562 A567 R568 V569L527-E565 HydrophobicContact CD1-CB 3.61Å; L562-E565 PolarHBondContact O-N 3.27Å; L562-E565 VanDerWaalsContact O-N 3.09Å; E565-A567 PolarHBondContact O-N 2.78Å; E565-R568 WeakPolarHBondContact O-CB 3.43Å; E565-R568 PolarHBondContact O-N 3.23Å; E565-V569 WeakPolarHBondContact O-CG2 3.42Å; E565-V569 PolarHBondContact O-N 3.46Å
566F96.4Very high92.9Very high0 Ų059.2 Ų59.20%030%0.295CS..Hα-helixtrans-59.1-47.2173.8-87.4-76.2000112.2L523 L527 M530 L562 R568 V569 L570 I595L523-F566 HydrophobicContact CB-CE2 4.18Å; L523-F566 HydrophobicContact CB-CZ 4.27Å; L523-F566 HydrophobicContact CD2-CE2 4.14Å; L523-F566 HydrophobicContact CD2-CZ 3.99Å; L523-F566 WeakPolarHBondContact O-CZ 3.36Å; L527-F566 HydrophobicContact CB-CE1 4.16Å; L527-F566 HydrophobicContact CB-CE2 4.38Å; L527-F566 HydrophobicContact CB-CZ 3.96Å; L527-F566 HydrophobicContact CD1-CD1 4.32Å; L527-F566 HydrophobicContact CD1-CD2 3.84Å; L527-F566 HydrophobicContact CD1-CE1 4.43Å; L527-F566 HydrophobicContact CD1-CE2 3.96Å; L527-F566 HydrophobicContact CD1-CG 4.03Å; L527-F566 HydrophobicContact CD1-CZ 4.26Å; M530-F566 HydrophobicContact SD-CE1 4.43Å; L562-F566 HydrophobicContact CB-CD2 3.81Å; L562-F566 HydrophobicContact CB-CE2 3.96Å; L562-F566 HydrophobicContact CD1-CE2 4.18Å; L562-F566 PolarHBondContact O-N 3.03Å; F566-R568 VanDerWaalsContact C-N 3.27Å; F566-R568 PolarHBondContact O-N 3.08Å; F566-V569 PolarHBondContact O-N 3.49Å; F566-L570 HydrophobicContact CB-CD1 4.37Å; F566-L570 WeakPolarHBondContact O-CB 3.46Å; F566-L570 WeakPolarHBondContact O-CD1 3.28Å; F566-L570 WeakPolarHBondContact O-CG 3.23Å; F566-L570 PolarHBondContact O-N 3.48Å; F566-I595 HydrophobicContact CB-CD1 3.7Å; F566-I595 HydrophobicContact CB-CG1 3.71Å; F566-I595 HydrophobicContact CD2-CD1 3.95Å; F566-I595 HydrophobicContact CG-CD1 3.86Å; F566-I595 HydrophobicContact CG-CG1 4.26Å
567A95.6Very high92.5Very high0 Ų061.2 Ų61.20%031%0.306CS..Hα-helixtrans-59.6-40.8179.100000111.6A563 E565 V571 L592 Y606A563-A567 VanDerWaalsContact O-CB 3.25Å; A563-A567 WeakPolarHBondContact O-CB 3.31Å; A563-A567 PolarHBondContact O-N 3.44Å; E565-A567 PolarHBondContact O-N 2.78Å; A567-V571 WeakPolarHBondContact O-CB 3.33Å; A567-V571 VanDerWaalsContact O-CG2 3.22Å; A567-V571 WeakPolarHBondContact O-CG2 3.28Å; A567-V571 PolarHBondContact O-N 3.5Å; A567-V571 VanDerWaalsContact O-N 3.12Å; A567-L592 HydrophobicContact CB-CD1 4.13Å; A567-Y606 HydrophobicContact CB-CD1 3.7Å; A567-Y606 HydrophobicContact CB-CE1 3.86Å
568R94.6Very high92Very high151 Ų15154.9 Ų54.957%0.5728%0.279SS*.Hα-helixtrans-62.3-48.6175.1-177.5-177.6-69.4175.6-1.5111.7L564 E565 F566 L570 V571 H572 Y606L564-R568 VanDerWaalsContact O-CB 3.31Å; L564-R568 WeakPolarHBondContact O-CB 3.29Å; L564-R568 PolarHBondContact O-N 2.88Å; E565-R568 WeakPolarHBondContact O-CB 3.43Å; E565-R568 PolarHBondContact O-N 3.23Å; F566-R568 VanDerWaalsContact C-N 3.27Å; F566-R568 PolarHBondContact O-N 3.08Å; R568-L570 PolarHBondContact O-N 2.9Å; R568-V571 PolarHBondContact O-N 2.9Å; R568-H572 WeakPolarHBondContact O-CB 3.3Å; R568-H572 PolarHBondContact O-CD2 3.43Å; R568-H572 PolarHBondContact O-N 2.95Å; R568-Y606 WeakPolarHBondContact CA-OH 3.45Å; R568-Y606 WeakPolarHBondContact CB-OH 3.38Å
569V93.8Very high91.5Very high9 Ų957 Ų576%0.05529%0.288CS..Hα-helixtrans-60.2-49.2179.8172.50000110.7L527 M530 L531 E565 F566 V571 I573 R588L527-V569 HydrophobicContact CD2-CG2 4.42Å; L527-V569 HydrophobicContact CG-CG2 4.41Å; M530-V569 HydrophobicContact CB-CG1 3.93Å; M530-V569 HydrophobicContact CE-CG1 3.71Å; L531-V569 HydrophobicContact CD2-CG2 3.76Å; L531-V569 HydrophobicContact CG-CG2 4.13Å; E565-V569 WeakPolarHBondContact O-CG2 3.42Å; E565-V569 PolarHBondContact O-N 3.46Å; F566-V569 PolarHBondContact O-N 3.49Å; V569-V571 VanDerWaalsContact C-N 3.29Å; V569-V571 PolarHBondContact O-N 3.44Å; V569-I573 HydrophobicContact CB-CG1 4.27Å; V569-I573 HydrophobicContact CG1-CB 4.34Å; V569-I573 HydrophobicContact CG1-CG1 4.07Å; V569-I573 HydrophobicContact CG2-CG1 4.37Å; V569-I573 WeakPolarHBondContact O-CB 2.92Å; V569-I573 PolarHBondContact O-N 2.89Å; V569-I573 VanDerWaalsContact O-N 3.12Å; V569-R588 PolarHBondContact O-NH2 2.96Å
570L94.4Very high91.2Very high1 Ų161.5 Ų61.51%0.00531%0.313CS..Hα-helixtrans-66.7-27.4-175.8-69.7164.7000113.6M530 F566 R568 R588 A591 L592 I595M530-L570 HydrophobicContact CE-CD2 3.39Å; M530-L570 HydrophobicContact CE-CG 4.03Å; F566-L570 HydrophobicContact CB-CD1 4.37Å; F566-L570 WeakPolarHBondContact O-CB 3.46Å; F566-L570 WeakPolarHBondContact O-CD1 3.28Å; F566-L570 WeakPolarHBondContact O-CG 3.23Å; F566-L570 PolarHBondContact O-N 3.48Å; R568-L570 PolarHBondContact O-N 2.9Å; L570-R588 VanDerWaalsContact C-NH2 3.32Å; L570-R588 HydrophobicContact CD2-CB 4.14Å; L570-R588 HydrophobicContact CD2-CG 4.24Å; L570-R588 PolarHBondContact O-NE 2.95Å; L570-R588 PolarHBondContact O-NH2 3.16Å; L570-A591 HydrophobicContact CD1-CB 3.96Å; L570-A591 HydrophobicContact CD2-CB 3.89Å; L570-L592 HydrophobicContact CB-CB 4.23Å; L570-L592 HydrophobicContact CB-CD1 4.3Å; L570-L592 HydrophobicContact CD1-CB 4.05Å; L570-L592 HydrophobicContact CD1-CD1 4.35Å; L570-I595 HydrophobicContact CD1-CG1 4.49Å
571V91.7Very high90.8Very high7 Ų761.4 Ų61.44%0.04232%0.32CS..Hα-helixtrans-89.5-42.2178.4175.60000112.7A567 R568 V569 L592 L607 I624A567-V571 WeakPolarHBondContact O-CB 3.33Å; A567-V571 VanDerWaalsContact O-CG2 3.22Å; A567-V571 WeakPolarHBondContact O-CG2 3.28Å; A567-V571 PolarHBondContact O-N 3.5Å; A567-V571 VanDerWaalsContact O-N 3.12Å; R568-V571 PolarHBondContact O-N 2.9Å; V569-V571 VanDerWaalsContact C-N 3.29Å; V569-V571 PolarHBondContact O-N 3.44Å; V571-L592 HydrophobicContact CG2-CD1 4.47Å; V571-L592 HydrophobicContact CG2-CD2 3.68Å; V571-L607 HydrophobicContact CG2-CD2 3.73Å; V571-I624 HydrophobicContact CG1-CD1 4.04Å; V571-I624 HydrophobicContact CG1-CG1 4.1Å; V571-I624 HydrophobicContact CG2-CG1 4.35Å
572H90.2Very high90.5Very high49 Ų4956 Ų5623%0.22731%0.305CS..Hα-helixtrans-106.7-27.3-164.6-56.5-67.3000115.1R568 Y606 E610 Y616R568-H572 WeakPolarHBondContact O-CB 3.3Å; R568-H572 PolarHBondContact O-CD2 3.43Å; R568-H572 PolarHBondContact O-N 2.95Å; H572-Y606 PolarHBondContact CD2-OH 2.88Å; H572-Y606 PolarHBondContact NE2-OH 2.73Å; H572-E610 IonicContact CE1-OE2 3.55Å; H572-E610 IonicContact NE2-OE2 3.55Å; H572-Y616 AromaticContact CE1-CE1 3.42Å; H572-Y616 VanDerWaalsContact CE1-CE1 3.42Å; H572-Y616 WeakPolarHBondContact CE1-CE1 3.43Å; H572-Y616 AromaticContact CE1-CZ 3.46Å; H572-Y616 VanDerWaalsContact CE1-CZ 3.46Å; H572-Y616 PolarHBondContact CE1-OH 2.8Å; H572-Y616 AromaticContact ND1-CE1 3.58Å
573I89.4Confident90.3Very high64 Ų6460.2 Ų60.233%0.32833%0.325SS..SBendtrans-77.2137.9-174.9-60.1-65.9000109.7L531 V569 R588L531-I573 HydrophobicContact CD2-CD1 3.93Å; L531-I573 HydrophobicContact CD2-CG1 4.01Å; V569-I573 HydrophobicContact CB-CG1 4.27Å; V569-I573 HydrophobicContact CG1-CB 4.34Å; V569-I573 HydrophobicContact CG1-CG1 4.07Å; V569-I573 HydrophobicContact CG2-CG1 4.37Å; V569-I573 WeakPolarHBondContact O-CB 2.92Å; V569-I573 PolarHBondContact O-N 2.89Å; V569-I573 VanDerWaalsContact O-N 3.12Å; I573-R588 PolarHBondContact O-NH1 3.39Å; I573-R588 PolarHBondContact O-NH2 3.35Å
574E86.1Confident90.3Very high166 Ų16660.3 Ų60.378%0.77633%0.325SS*.PPolyproline II helixtrans-58.4137.8177.1-165.2171.5-179.500110.7R588E574-R588 PolarHBondContact O-NH1 3.49Å
575P86.9Confident90Very high72 Ų7259.2 Ų59.247%0.46833%0.328SS..PPolyproline II helixtrans-65.5148.4176.827.2-34.4000111.6I584P575-I584 HydrophobicContact CB-CG2 3.99Å
576P87.3Confident90Very high11 Ų1163.1 Ų63.17%0.07134%0.338CS..PPolyproline II helixtrans-59.9146173.325-34.6000111.3N538 N541 I542 T578 I584N538-P576 WeakPolarHBondContact OD1-CB 3.44Å; N541-P576 HydrophobicContact CB-CB 4.1Å; N541-P576 WeakPolarHBondContact OD1-CG 3.27Å; I542-P576 HydrophobicContact CG1-CB 3.85Å; I542-P576 HydrophobicContact CG1-CG 3.95Å; P576-T578 PolarHBondContact O-N 3.18Å; P576-I584 HydrophobicContact CG-CD1 4.29Å; P576-I584 HydrophobicContact CG-CG1 4.42Å; P576-I584 HydrophobicContact CG-CG2 4.01Å
577V85Confident89.9Confident101 Ų10163.7 Ų63.761%0.61234%0.343SS*.PPolyproline II helixtrans-69.5120.7178-179.10000108.5N538N538-V577 PolarHBondContact ND2-O 3.14Å; N538-V577 PolarHBondContact OD1-N 3.47Å; N538-V577 PolarHBondContact OD1-O 2.94Å
578T84.9Confident89.9Confident30 Ų3064.6 Ų64.618%0.18435%0.346CS..  trans-143.7150.3-177177.10000110.2P576 D580 I584P576-T578 PolarHBondContact O-N 3.18Å; T578-D580 PolarHBondContact O-N 3.23Å; T578-D580 PolarHBondContact OG1-N 3.32Å; T578-I584 HydrophobicContact CG2-CB 4.19Å; T578-I584 HydrophobicContact CG2-CG1 3.56Å
579P81.7Confident89.9Confident87 Ų8758.7 Ų58.757%0.56533%0.325SS*.SBendtrans-60.6-25.2167.823.6-33.1000113P581P579-P581 VanDerWaalsContact C-CD 3.44Å; P579-P581 WeakPolarHBondContact O-CD 3.45Å
580D86.9Confident90.1Very high96 Ų9661.2 Ų61.251%0.51334%0.338SS..  trans-115.570.1-176.9-65.6-47.5000112.5T578 G582 Q583T578-D580 PolarHBondContact O-N 3.23Å; T578-D580 PolarHBondContact OG1-N 3.32Å; D580-G582 PolarHBondContact O-N 3.46Å; D580-G582 VanDerWaalsContact O-N 3.17Å; D580-Q583 HydrophobicContact CB-CB 4.23Å; D580-Q583 PolarHBondContact O-N 3.01Å; D580-Q583 VanDerWaalsContact O-N 3.09Å
581P86.6Confident90.2Very high91 Ų9161.1 Ų61.159%0.59134%0.338SS*.Hα-helixtrans-61.1-30.6-175.324.7-34.5000112.7P579 Q583 I584 A585P579-P581 VanDerWaalsContact C-CD 3.44Å; P579-P581 WeakPolarHBondContact O-CD 3.45Å; P581-Q583 VanDerWaalsContact C-N 3.34Å; P581-Q583 PolarHBondContact O-N 3.33Å; P581-I584 PolarHBondContact O-N 3.28Å; P581-A585 WeakPolarHBondContact O-CB 3.39Å; P581-A585 PolarHBondContact O-N 2.98Å
582G88.1Confident90.5Very high39 Ų3960.8 Ų60.840%0.40234%0.336SS..Hα-helixtrans-64.3-34.6177.200000113.6D580 R586D580-G582 PolarHBondContact O-N 3.46Å; D580-G582 VanDerWaalsContact O-N 3.17Å; G582-R586 VanDerWaalsContact O-CG 3.3Å; G582-R586 WeakPolarHBondContact O-CG 3.28Å; G582-R586 PolarHBondContact O-N 2.81Å; G582-R586 VanDerWaalsContact O-N 3.14Å
583Q91.6Very high90.8Very high107 Ų10758.7 Ų58.750%0.533%0.327SS..Hα-helixtrans-71.8-42.8178.9-169.4-179.830.900111.2M546 D580 P581 R586 A587M546-Q583 HydrophobicContact CE-CG 3.73Å; M546-Q583 HydrophobicContact SD-CG 4.02Å; D580-Q583 HydrophobicContact CB-CB 4.23Å; D580-Q583 PolarHBondContact O-N 3.01Å; D580-Q583 VanDerWaalsContact O-N 3.09Å; P581-Q583 VanDerWaalsContact C-N 3.34Å; P581-Q583 PolarHBondContact O-N 3.33Å; Q583-R586 PolarHBondContact O-N 2.91Å; Q583-A587 WeakPolarHBondContact O-CB 3.44Å; Q583-A587 PolarHBondContact O-N 3.43Å
584I92.7Very high91.2Very high3 Ų355.7 Ų55.72%0.01531%0.311CS..Hα-helixtrans-63.4-43.7175.4-71.1-59.7000111.3I542 T545 M546 P575 P576 T578 P581 R586 A587 R588I542-I584 HydrophobicContact CG1-CD1 4.43Å; I542-I584 HydrophobicContact CG2-CD1 4.19Å; T545-I584 HydrophobicContact CG2-CD1 4.24Å; T545-I584 HydrophobicContact CG2-CG2 4.23Å; M546-I584 HydrophobicContact CG-CD1 4.01Å; M546-I584 HydrophobicContact SD-CD1 3.99Å; P575-I584 HydrophobicContact CB-CG2 3.99Å; P576-I584 HydrophobicContact CG-CD1 4.29Å; P576-I584 HydrophobicContact CG-CG1 4.42Å; P576-I584 HydrophobicContact CG-CG2 4.01Å; T578-I584 HydrophobicContact CG2-CB 4.19Å; T578-I584 HydrophobicContact CG2-CG1 3.56Å; P581-I584 PolarHBondContact O-N 3.28Å; I584-R586 VanDerWaalsContact C-N 3.31Å; I584-R586 PolarHBondContact O-N 3.41Å; I584-A587 PolarHBondContact O-N 2.94Å; I584-R588 HydrophobicContact CG2-CG 4.41Å; I584-R588 WeakPolarHBondContact O-CB 3.44Å; I584-R588 VanDerWaalsContact O-CG 3.3Å; I584-R588 WeakPolarHBondContact O-CG 3.34Å; I584-R588 PolarHBondContact O-N 3.12Å
585A91.5Very high91.7Very high59 Ų5947.8 Ų47.849%0.48827%0.274SS..Hα-helixtrans-59-42.9176.600000112P581 H589P581-A585 WeakPolarHBondContact O-CB 3.39Å; P581-A585 PolarHBondContact O-N 2.98Å; A585-H589 WeakPolarHBondContact O-CB 2.97Å; A585-H589 PolarHBondContact O-N 2.89Å
586R94.5Very high92.2Very high183 Ų18344.3 Ų44.369%0.69125%0.252SS*.Hα-helixtrans-63.3-49.5174.3-71.1174.4-164.2173.55.6111.9G582 Q583 I584 R588 H589 D590G582-R586 VanDerWaalsContact O-CG 3.3Å; G582-R586 WeakPolarHBondContact O-CG 3.28Å; G582-R586 PolarHBondContact O-N 2.81Å; G582-R586 VanDerWaalsContact O-N 3.14Å; Q583-R586 PolarHBondContact O-N 2.91Å; I584-R586 VanDerWaalsContact C-N 3.31Å; I584-R586 PolarHBondContact O-N 3.41Å; R586-R588 VanDerWaalsContact C-N 3.27Å; R586-R588 PolarHBondContact O-N 3.3Å; R586-H589 WeakPolarHBondContact O-CB 3.19Å; R586-H589 PolarHBondContact O-N 2.9Å; R586-H589 VanDerWaalsContact O-N 3.09Å; R586-D590 WeakPolarHBondContact O-CB 3.44Å; R586-D590 VanDerWaalsContact O-CG 3.25Å; R586-D590 PolarHBondContact O-N 2.65Å
587A94.4Very high92.7Very high12 Ų1245.4 Ų45.410%0.09926%0.258CS..Hα-helixtrans-59.1-38.9179.400000112.5T545 M546 Q583 I584 D590 A591T545-A587 HydrophobicContact CG2-CB 4.39Å; M546-A587 HydrophobicContact SD-CB 3.54Å; M546-A587 VanDerWaalsContact SD-CB 3.54Å; Q583-A587 WeakPolarHBondContact O-CB 3.44Å; Q583-A587 PolarHBondContact O-N 3.43Å; I584-A587 PolarHBondContact O-N 2.94Å; A587-D590 PolarHBondContact O-N 3.22Å; A587-A591 VanDerWaalsContact O-CB 3.26Å; A587-A591 WeakPolarHBondContact O-CB 3.43Å; A587-A591 PolarHBondContact O-N 2.73Å
588R94.8Very high93.2Very high19 Ų1941.4 Ų41.47%0.07223%0.234CC..Hα-helixtrans-65-45.1174.1-71.8178.963.9133.9-4.5112.3T545 V569 L570 I573 E574 I584 R586 A591 L592T545-R588 HydrophobicContact CG2-CG 3.42Å; T545-R588 VanDerWaalsContact CG2-CG 3.42Å; V569-R588 PolarHBondContact O-NH2 2.96Å; L570-R588 VanDerWaalsContact C-NH2 3.32Å; L570-R588 HydrophobicContact CD2-CB 4.14Å; L570-R588 HydrophobicContact CD2-CG 4.24Å; L570-R588 PolarHBondContact O-NE 2.95Å; L570-R588 PolarHBondContact O-NH2 3.16Å; I573-R588 PolarHBondContact O-NH1 3.39Å; I573-R588 PolarHBondContact O-NH2 3.35Å; E574-R588 PolarHBondContact O-NH1 3.49Å; I584-R588 HydrophobicContact CG2-CG 4.41Å; I584-R588 WeakPolarHBondContact O-CB 3.44Å; I584-R588 VanDerWaalsContact O-CG 3.3Å; I584-R588 WeakPolarHBondContact O-CG 3.34Å; I584-R588 PolarHBondContact O-N 3.12Å; R586-R588 VanDerWaalsContact C-N 3.27Å; R586-R588 PolarHBondContact O-N 3.3Å; R588-A591 PolarHBondContact O-N 3.07Å; R588-L592 WeakPolarHBondContact O-CB 3.25Å; R588-L592 PolarHBondContact O-N 3.35Å
589H95.9Very high93.8Very high26 Ų2640.3 Ų40.312%0.1223%0.228CC..Hα-helixtrans-60.2-48175.317885.9000111A585 R586 A591 L592 V593 S626 S627 D630A585-H589 WeakPolarHBondContact O-CB 2.97Å; A585-H589 PolarHBondContact O-N 2.89Å; R586-H589 WeakPolarHBondContact O-CB 3.19Å; R586-H589 PolarHBondContact O-N 2.9Å; R586-H589 VanDerWaalsContact O-N 3.09Å; H589-A591 PolarHBondContact O-N 3.33Å; H589-L592 WeakPolarHBondContact O-CB 3.48Å; H589-L592 PolarHBondContact O-N 3.09Å; H589-L592 VanDerWaalsContact O-N 3.11Å; H589-V593 WeakPolarHBondContact O-CG2 3.32Å; H589-V593 PolarHBondContact O-N 3.44Å; H589-S626 PolarHBondContact CE1-OG 3.33Å; H589-S626 VanDerWaalsContact CE1-OG 3.27Å; H589-S627 PolarHBondContact ND1-OG 3.32Å; H589-D630 IonicContact CD2-OD2 2.79Å; H589-D630 IonicContact CE1-OD2 3.44Å; H589-D630 IonicContact NE2-OD2 3.37Å; H589-D630 PolarHBondContact NE2-OD2 2.96Å
590D97.1Very high94.5Very high62 Ų6236.9 Ų36.933%0.33221%0.206SC..Hα-helixtrans-62.9-41.4179.8-67.1-30.4000111.8E549 R586 A587 V593 A594E549-D590 HydrophobicContact CG-CB 4.24Å; R586-D590 WeakPolarHBondContact O-CB 3.44Å; R586-D590 VanDerWaalsContact O-CG 3.25Å; R586-D590 PolarHBondContact O-N 2.65Å; A587-D590 PolarHBondContact O-N 3.22Å; D590-V593 PolarHBondContact O-N 3.49Å; D590-A594 WeakPolarHBondContact O-CB 3.16Å; D590-A594 PolarHBondContact O-N 3.06Å
591A96.6Very high94.9Very high0 Ų037 Ų370%020%0.202CC..Hα-helixtrans-63.3-39.617300000112.2A548 I552 L570 A587 R588 H589 A594 I595A548-A591 HydrophobicContact CB-CB 3.77Å; I552-A591 HydrophobicContact CD1-CB 4.2Å; L570-A591 HydrophobicContact CD1-CB 3.96Å; L570-A591 HydrophobicContact CD2-CB 3.89Å; A587-A591 VanDerWaalsContact O-CB 3.26Å; A587-A591 WeakPolarHBondContact O-CB 3.43Å; A587-A591 PolarHBondContact O-N 2.73Å; R588-A591 PolarHBondContact O-N 3.07Å; H589-A591 PolarHBondContact O-N 3.33Å; A591-A594 WeakPolarHBondContact O-CB 3.12Å; A591-A594 PolarHBondContact O-N 3.38Å; A591-I595 PolarHBondContact O-N 3.25Å
592L97.6Very high95.3Very high0 Ų037.6 Ų37.60%020%0.195CC..Hα-helixtrans-67.2-41.2177.4-176.953.9000111A567 L570 V571 R588 H589 A594 I595 G596 L607 S627A567-L592 HydrophobicContact CB-CD1 4.13Å; L570-L592 HydrophobicContact CB-CB 4.23Å; L570-L592 HydrophobicContact CB-CD1 4.3Å; L570-L592 HydrophobicContact CD1-CB 4.05Å; L570-L592 HydrophobicContact CD1-CD1 4.35Å; V571-L592 HydrophobicContact CG2-CD1 4.47Å; V571-L592 HydrophobicContact CG2-CD2 3.68Å; R588-L592 WeakPolarHBondContact O-CB 3.25Å; R588-L592 PolarHBondContact O-N 3.35Å; H589-L592 WeakPolarHBondContact O-CB 3.48Å; H589-L592 PolarHBondContact O-N 3.09Å; H589-L592 VanDerWaalsContact O-N 3.11Å; L592-A594 VanDerWaalsContact C-N 3.3Å; L592-A594 PolarHBondContact O-N 2.62Å; L592-I595 PolarHBondContact O-N 2.93Å; L592-G596 PolarHBondContact O-N 3.43Å; L592-L607 HydrophobicContact CD1-CD1 4.34Å; L592-L607 HydrophobicContact CD1-CD2 4.27Å; L592-L607 HydrophobicContact CD2-CD2 4.4Å; L592-S627 VanDerWaalsContact CD2-OG 3.32Å; L592-S627 WeakPolarHBondContact CD2-OG 3.13Å
593V97.7Very high95.7Very high5 Ų535.8 Ų35.83%0.0318%0.176CC..Hα-helixtrans-61.5-40.3172172.60000110.7H589 D590 G596 V597 D630 I631 K634H589-V593 WeakPolarHBondContact O-CG2 3.32Å; H589-V593 PolarHBondContact O-N 3.44Å; D590-V593 PolarHBondContact O-N 3.49Å; V593-G596 PolarHBondContact O-N 3.35Å; V593-V597 HydrophobicContact CG1-CG2 4.42Å; V593-V597 WeakPolarHBondContact O-CG2 3.39Å; V593-V597 PolarHBondContact O-N 3.29Å; V593-D630 HydrophobicContact CG1-CB 4.43Å; V593-D630 HydrophobicContact CG2-CB 3.75Å; V593-I631 HydrophobicContact CB-CG1 4.23Å; V593-I631 HydrophobicContact CG1-CG1 4.13Å; V593-I631 HydrophobicContact CG2-CG1 4.27Å; V593-K634 HydrophobicContact CG1-CD 3.8Å
594A97.4Very high95.9Very high0 Ų030.7 Ų30.70%015%0.152CC..Hα-helixtrans-62-47176.900000112.8E549 I552 Y553 D590 A591 L592 G596 V597 V598E549-A594 HydrophobicContact CG-CB 3.9Å; I552-A594 HydrophobicContact CB-CB 4.11Å; I552-A594 HydrophobicContact CD1-CB 4.31Å; I552-A594 HydrophobicContact CG2-CB 3.74Å; Y553-A594 HydrophobicContact CD2-CB 4.03Å; Y553-A594 HydrophobicContact CE1-CB 4.16Å; Y553-A594 HydrophobicContact CE2-CB 3.48Å; Y553-A594 VanDerWaalsContact CE2-CB 3.48Å; Y553-A594 WeakPolarHBondContact OH-CA 3.23Å; D590-A594 WeakPolarHBondContact O-CB 3.16Å; D590-A594 PolarHBondContact O-N 3.06Å; A591-A594 WeakPolarHBondContact O-CB 3.12Å; A591-A594 PolarHBondContact O-N 3.38Å; L592-A594 VanDerWaalsContact C-N 3.3Å; L592-A594 PolarHBondContact O-N 2.62Å; A594-G596 VanDerWaalsContact C-N 3.28Å; A594-G596 PolarHBondContact O-N 2.91Å; A594-V597 PolarHBondContact O-N 3.22Å; A594-V598 WeakPolarHBondContact O-CG2 3.35Å; A594-V598 PolarHBondContact O-N 3.38Å
595I97.5Very high96.1Very high0 Ų036.6 Ų36.60%017%0.174CC..Hα-helixtrans-58.5-43.2173.1-69.2-63.5000110.9I552 A559 A563 F566 L570 A591 L592 V597 V598 A599 C603I552-I595 HydrophobicContact CB-CD1 4.38Å; I552-I595 HydrophobicContact CD1-CD1 3.58Å; I552-I595 HydrophobicContact CD1-CG1 3.57Å; I552-I595 HydrophobicContact CG1-CD1 3.64Å; I552-I595 HydrophobicContact CG1-CG1 4.22Å; I552-I595 HydrophobicContact CG2-CD1 3.8Å; I552-I595 HydrophobicContact CG2-CG1 4.34Å; A559-I595 HydrophobicContact CB-CD1 4.39Å; A563-I595 HydrophobicContact CB-CG2 3.99Å; F566-I595 HydrophobicContact CB-CD1 3.7Å; F566-I595 HydrophobicContact CB-CG1 3.71Å; F566-I595 HydrophobicContact CD2-CD1 3.95Å; F566-I595 HydrophobicContact CG-CD1 3.86Å; F566-I595 HydrophobicContact CG-CG1 4.26Å; L570-I595 HydrophobicContact CD1-CG1 4.49Å; A591-I595 PolarHBondContact O-N 3.25Å; L592-I595 PolarHBondContact O-N 2.93Å; I595-V597 VanDerWaalsContact C-N 3.32Å; I595-V597 PolarHBondContact O-N 3.32Å; I595-V598 PolarHBondContact O-N 3.08Å; I595-A599 PolarHBondContact O-N 2.91Å; I595-C603 HydrophobicContact CG2-CB 4.5Å
596G96.8Very high96.3Very high0 Ų034.9 Ų34.90%016%0.155CC..Hα-helixtrans-64.5-32.517800000114.1L592 V593 A594 P600 C603L592-G596 PolarHBondContact O-N 3.43Å; V593-G596 PolarHBondContact O-N 3.35Å; A594-G596 VanDerWaalsContact C-N 3.28Å; A594-G596 PolarHBondContact O-N 2.91Å; G596-P600 WeakPolarHBondContact O-CA 3.48Å; G596-P600 WeakPolarHBondContact O-CB 3.37Å; G596-C603 VanDerWaalsContact CA-SG 3.57Å
597V96.7Very high96.4Very high34 Ų3426.2 Ų26.221%0.20612%0.123CC..Hα-helixtrans-73.8-39.3174.51700000111.6Y553 V593 A594 I595 K634 L635Y553-V597 HydrophobicContact CE1-CB 4.25Å; Y553-V597 HydrophobicContact CE1-CG1 4.05Å; V593-V597 HydrophobicContact CG1-CG2 4.42Å; V593-V597 WeakPolarHBondContact O-CG2 3.39Å; V593-V597 PolarHBondContact O-N 3.29Å; A594-V597 PolarHBondContact O-N 3.22Å; I595-V597 VanDerWaalsContact C-N 3.32Å; I595-V597 PolarHBondContact O-N 3.32Å; V597-K634 HydrophobicContact CG2-CB 3.84Å; V597-K634 HydrophobicContact CG2-CD 3.98Å; V597-K634 HydrophobicContact CG2-CG 3.93Å; V597-L635 HydrophobicContact CB-CD2 4.48Å; V597-L635 HydrophobicContact CG1-CD2 4.08Å; V597-L635 HydrophobicContact CG2-CG 4.32Å
598V96.4Very high96.5Very high16 Ų1625.9 Ų25.910%0.09712%0.119CC..Hα-helixtrans-74.1-37.2-178.9167.90000112.2I552 Y553 P556 A559 Q560 A594 I595I552-V598 HydrophobicContact CG2-CB 4.5Å; I552-V598 HydrophobicContact CG2-CG2 3.95Å; Y553-V598 HydrophobicContact CD1-CG2 4.29Å; Y553-V598 HydrophobicContact CE1-CG2 4.43Å; P556-V598 HydrophobicContact CB-CG1 3.96Å; P556-V598 HydrophobicContact CB-CG2 4.2Å; P556-V598 WeakPolarHBondContact O-CG1 3.2Å; A559-V598 HydrophobicContact CB-CG1 4.05Å; Q560-V598 HydrophobicContact CG-CG1 3.65Å; Q560-V598 WeakPolarHBondContact CG-O 3.45Å; Q560-V598 PolarHBondContact NE2-O 3.11Å; A594-V598 WeakPolarHBondContact O-CG2 3.35Å; A594-V598 PolarHBondContact O-N 3.38Å; I595-V598 PolarHBondContact O-N 3.08Å
599A96.6Very high96.4Very high8 Ų827.6 Ų27.67%0.06613%0.134CC..SBendtrans-130.760-176.400000112.7Q560 A563 I595 K601 K602 C603Q560-A599 HydrophobicContact CG-CB 4.1Å; A563-A599 HydrophobicContact CB-CB 3.68Å; I595-A599 PolarHBondContact O-N 2.91Å; A599-K601 PolarHBondContact O-N 3.25Å; A599-K602 HydrophobicContact CB-CB 4.48Å; A599-K602 PolarHBondContact O-N 3.35Å; A599-C603 VanDerWaalsContact O-CB 3.27Å; A599-C603 WeakPolarHBondContact O-CB 3.22Å; A599-C603 PolarHBondContact O-N 2.96Å
600P96.2Very high96.2Very high15 Ų1527.1 Ų27.110%0.09713%0.132CC..Hα-helixtrans-59.1-44.2-166.321.2-33.3000114.1G596 A604 L635 F689 F693G596-P600 WeakPolarHBondContact O-CA 3.48Å; G596-P600 WeakPolarHBondContact O-CB 3.37Å; P600-A604 WeakPolarHBondContact O-CB 3.17Å; P600-A604 PolarHBondContact O-N 3.49Å; P600-L635 HydrophobicContact CB-CD1 3.85Å; P600-F689 HydrophobicContact CB-CD1 4.37Å; P600-F689 HydrophobicContact CB-CD2 4.06Å; P600-F689 HydrophobicContact CB-CE2 4.34Å; P600-F689 HydrophobicContact CB-CG 4.07Å; P600-F689 HydrophobicContact CG-CD1 4.19Å; P600-F689 HydrophobicContact CG-CD2 3.86Å; P600-F689 HydrophobicContact CG-CE1 3.98Å; P600-F689 HydrophobicContact CG-CE2 3.62Å; P600-F689 HydrophobicContact CG-CG 4.13Å; P600-F689 HydrophobicContact CG-CZ 3.68Å; P600-F693 HydrophobicContact CB-CE2 4.33Å; P600-F693 HydrophobicContact CB-CZ 4.33Å
601K96Very high96Very high98 Ų9824.4 Ų24.443%0.42612%0.117SC..Hα-helixtrans-67.1-44.4-178.9-172.3175.6-176.9176.20112.8A599 R605 F689 E692A599-K601 PolarHBondContact O-N 3.25Å; K601-R605 VanDerWaalsContact CE-CZ 3.41Å; K601-R605 WeakPolarHBondContact O-CB 3.27Å; K601-R605 VanDerWaalsContact O-CG 3.32Å; K601-R605 WeakPolarHBondContact O-CG 3.44Å; K601-R605 PolarHBondContact O-N 3.49Å; K601-F689 HydrophobicContact CB-CD1 4.14Å; K601-F689 HydrophobicContact CB-CE1 4.22Å; K601-E692 HydrophobicContact CG-CG 4.5Å
602K95.6Very high95.7Very high104 Ų10427.2 Ų27.245%0.45214%0.136SC..Hα-helixtrans-67.1-47.4179.8-68.7-174.3-175.4177.80110.2Q560 L564 A599 Y606Q560-K602 PolarHBondContact O-NZ 2.83Å; L564-K602 HydrophobicContact CD2-CB 4.49Å; A599-K602 HydrophobicContact CB-CB 4.48Å; A599-K602 PolarHBondContact O-N 3.35Å; K602-Y606 WeakPolarHBondContact O-CB 3.26Å; K602-Y606 PolarHBondContact O-N 3.33Å; K602-Y606 VanDerWaalsContact O-N 3.11Å
603C96.5Very high95.2Very high1 Ų131 Ų311%0.00715%0.154CC..Hα-helixtrans-65-46.1-178.8-170.50000111.7I595 G596 A599 R605 Y606 L607I595-C603 HydrophobicContact CG2-CB 4.5Å; G596-C603 VanDerWaalsContact CA-SG 3.57Å; A599-C603 VanDerWaalsContact O-CB 3.27Å; A599-C603 WeakPolarHBondContact O-CB 3.22Å; A599-C603 PolarHBondContact O-N 2.96Å; C603-R605 PolarHBondContact O-N 2.94Å; C603-Y606 PolarHBondContact O-N 3.48Å; C603-L607 WeakPolarHBondContact O-CB 3.48Å; C603-L607 WeakPolarHBondContact O-CG 3.45Å; C603-L607 PolarHBondContact O-N 3.37Å; C603-L607 WeakPolarHBondContact SG-CD1 3.2Å
604A96.4Very high94.3Very high0 Ų036 Ų360%019%0.189CC..Hα-helixtrans-60.2-46.2178.200000112.6P600 Y606 L607 T608 E692 F693P600-A604 WeakPolarHBondContact O-CB 3.17Å; P600-A604 PolarHBondContact O-N 3.49Å; A604-Y606 VanDerWaalsContact C-N 3.34Å; A604-Y606 PolarHBondContact O-N 3.02Å; A604-L607 PolarHBondContact O-N 2.84Å; A604-T608 VanDerWaalsContact O-CB 3.31Å; A604-T608 WeakPolarHBondContact O-CB 3.27Å; A604-T608 VanDerWaalsContact O-CG2 3.25Å; A604-T608 WeakPolarHBondContact O-CG2 3.44Å; A604-T608 PolarHBondContact O-N 3.5Å; A604-T608 PolarHBondContact O-OG1 2.93Å; A604-E692 HydrophobicContact CB-CB 4.39Å; A604-F693 HydrophobicContact CB-CD1 4.2Å; A604-F693 HydrophobicContact CB-CD2 3.57Å; A604-F693 HydrophobicContact CB-CE1 4.05Å; A604-F693 HydrophobicContact CB-CE2 3.42Å; A604-F693 VanDerWaalsContact CB-CE2 3.42Å; A604-F693 HydrophobicContact CB-CG 3.97Å; A604-F693 HydrophobicContact CB-CZ 3.67Å
605R96Very high93.4Very high126 Ų12639.4 Ų39.448%0.47522%0.224SC..Hα-helixtrans-61.2-42.9178-74.4178.6175.7-166.8-4.6112.3K601 C603 T608 S609 E692K601-R605 VanDerWaalsContact CE-CZ 3.41Å; K601-R605 WeakPolarHBondContact O-CB 3.27Å; K601-R605 VanDerWaalsContact O-CG 3.32Å; K601-R605 WeakPolarHBondContact O-CG 3.44Å; K601-R605 PolarHBondContact O-N 3.49Å; C603-R605 PolarHBondContact O-N 2.94Å; R605-T608 PolarHBondContact O-OG1 3.5Å; R605-S609 VanDerWaalsContact O-CB 3.31Å; R605-S609 WeakPolarHBondContact O-CB 3.38Å; R605-S609 PolarHBondContact O-N 2.85Å; R605-S609 PolarHBondContact O-OG 3.18Å; R605-S609 VanDerWaalsContact O-OG 3.12Å; R605-E692 WeakPolarHBondContact CG-OE2 3.14Å; R605-E692 IonicContact CZ-OE1 2.8Å; R605-E692 IonicContact CZ-OE2 2.94Å; R605-E692 IonicContact NE-OE1 2.75Å; R605-E692 PolarHBondContact NE-OE1 3.49Å; R605-E692 IonicContact NE-OE2 2.85Å; R605-E692 PolarHBondContact NE-OE2 3.32Å; R605-E692 IonicContact NH2-OE1 3.7Å; R605-E692 PolarHBondContact NH2-OE1 2.93Å; R605-E692 IonicContact NH2-OE2 3Å; R605-E692 PolarHBondContact NH2-OE2 3.3Å
606Y96.1Very high92.7Very high24 Ų2442 Ų429%0.09423%0.234CC..Hα-helixtrans-64.5-56.1176178.8-99.7000111.6L564 A567 R568 H572 K602 C603 A604 T608 S609 E610L564-Y606 HydrophobicContact CD2-CD2 4.14Å; L564-Y606 HydrophobicContact CD2-CG 4.03Å; A567-Y606 HydrophobicContact CB-CD1 3.7Å; A567-Y606 HydrophobicContact CB-CE1 3.86Å; R568-Y606 WeakPolarHBondContact CA-OH 3.45Å; R568-Y606 WeakPolarHBondContact CB-OH 3.38Å; H572-Y606 PolarHBondContact CD2-OH 2.88Å; H572-Y606 PolarHBondContact NE2-OH 2.73Å; K602-Y606 WeakPolarHBondContact O-CB 3.26Å; K602-Y606 PolarHBondContact O-N 3.33Å; K602-Y606 VanDerWaalsContact O-N 3.11Å; C603-Y606 PolarHBondContact O-N 3.48Å; A604-Y606 VanDerWaalsContact C-N 3.34Å; A604-Y606 PolarHBondContact O-N 3.02Å; Y606-T608 VanDerWaalsContact C-N 3.32Å; Y606-T608 PolarHBondContact O-N 3.38Å; Y606-S609 PolarHBondContact O-N 3.43Å; Y606-S609 VanDerWaalsContact O-N 3.1Å; Y606-S609 PolarHBondContact O-OG 3.3Å; Y606-E610 HydrophobicContact CD1-CG 4.16Å; Y606-E610 HydrophobicContact CD2-CG 4.35Å; Y606-E610 HydrophobicContact CE1-CG 3.72Å; Y606-E610 HydrophobicContact CE2-CG 3.95Å; Y606-E610 HydrophobicContact CG-CG 4.45Å; Y606-E610 WeakPolarHBondContact O-CG 3.25Å; Y606-E610 PolarHBondContact O-N 2.9Å
607L96.4Very high92.2Very high0 Ų044.9 Ų44.90%026%0.255CS..Hα-helixtrans-61.8-40.3-176.1-71.4-178.1000112.4V571 L592 C603 A604 E610 F611 I624 L628 I631V571-L607 HydrophobicContact CG2-CD2 3.73Å; L592-L607 HydrophobicContact CD1-CD1 4.34Å; L592-L607 HydrophobicContact CD1-CD2 4.27Å; L592-L607 HydrophobicContact CD2-CD2 4.4Å; C603-L607 WeakPolarHBondContact O-CB 3.48Å; C603-L607 WeakPolarHBondContact O-CG 3.45Å; C603-L607 PolarHBondContact O-N 3.37Å; C603-L607 WeakPolarHBondContact SG-CD1 3.2Å; A604-L607 PolarHBondContact O-N 2.84Å; L607-E610 PolarHBondContact O-N 2.87Å; L607-F611 WeakPolarHBondContact O-CB 3.48Å; L607-F611 PolarHBondContact O-N 3.12Å; L607-I624 HydrophobicContact CB-CG2 4Å; L607-I624 HydrophobicContact CD2-CG1 4.29Å; L607-I624 WeakPolarHBondContact O-CG2 3.43Å; L607-L628 HydrophobicContact CB-CD1 4.21Å; L607-L628 HydrophobicContact CB-CD2 3.96Å; L607-L628 HydrophobicContact CB-CG 4.19Å; L607-L628 HydrophobicContact CD1-CD2 3.87Å; L607-L628 HydrophobicContact CD1-CG 4.13Å; L607-I631 HydrophobicContact CD1-CD1 4.2Å
608T95.4Very high91.7Very high5 Ų546 Ų463%0.03126%0.259CS..Hα-helixtrans-71.5-32.1176.4590000112.8A604 R605 Y606 C612 L628 P696 L697A604-T608 VanDerWaalsContact O-CB 3.31Å; A604-T608 WeakPolarHBondContact O-CB 3.27Å; A604-T608 VanDerWaalsContact O-CG2 3.25Å; A604-T608 WeakPolarHBondContact O-CG2 3.44Å; A604-T608 PolarHBondContact O-N 3.5Å; A604-T608 PolarHBondContact O-OG1 2.93Å; R605-T608 PolarHBondContact O-OG1 3.5Å; Y606-T608 VanDerWaalsContact C-N 3.32Å; Y606-T608 PolarHBondContact O-N 3.38Å; T608-C612 PolarHBondContact O-N 2.86Å; T608-C612 PolarHBondContact O-SG 3.34Å; T608-L628 HydrophobicContact CG2-CD1 3.78Å; T608-P696 HydrophobicContact CG2-CB 4.1Å; T608-L697 HydrophobicContact CG2-CD2 4.09Å; T608-L697 HydrophobicContact CG2-CG 3.92Å
609S93.4Very high91.3Very high55 Ų5547.4 Ų47.439%0.38528%0.277SS..Hα-helixtrans-66.3-43.9171.564.40000111.1R605 Y606 C612 Q613R605-S609 VanDerWaalsContact O-CB 3.31Å; R605-S609 WeakPolarHBondContact O-CB 3.38Å; R605-S609 PolarHBondContact O-N 2.85Å; R605-S609 PolarHBondContact O-OG 3.18Å; R605-S609 VanDerWaalsContact O-OG 3.12Å; Y606-S609 PolarHBondContact O-N 3.43Å; Y606-S609 VanDerWaalsContact O-N 3.1Å; Y606-S609 PolarHBondContact O-OG 3.3Å; S609-C612 PolarHBondContact O-N 3.22Å; S609-Q613 WeakPolarHBondContact O-CG 3.26Å
610E92.7Very high91.1Very high16 Ų1649.2 Ų49.28%0.07528%0.284CS..Hα-helixtrans-62-46.3176.2-63.5-40.1118.200111H572 Y606 L607 C612 Q613 Y616 I624H572-E610 IonicContact CE1-OE2 3.55Å; H572-E610 IonicContact NE2-OE2 3.55Å; Y606-E610 HydrophobicContact CD1-CG 4.16Å; Y606-E610 HydrophobicContact CD2-CG 4.35Å; Y606-E610 HydrophobicContact CE1-CG 3.72Å; Y606-E610 HydrophobicContact CE2-CG 3.95Å; Y606-E610 HydrophobicContact CG-CG 4.45Å; Y606-E610 WeakPolarHBondContact O-CG 3.25Å; Y606-E610 PolarHBondContact O-N 2.9Å; L607-E610 PolarHBondContact O-N 2.87Å; E610-C612 PolarHBondContact O-N 3.3Å; E610-C612 VanDerWaalsContact O-N 3.13Å; E610-Q613 PolarHBondContact O-N 3.45Å; E610-Q613 PolarHBondContact OE1-NE2 3.27Å; E610-Q613 PolarHBondContact OE2-NE2 3.39Å; E610-Q613 PolarHBondContact OE2-OE1 3.33Å; E610-Y616 HydrophobicContact CB-CE2 3.97Å; E610-Y616 WeakPolarHBondContact O-CD2 3.33Å; E610-Y616 VanDerWaalsContact O-CE2 3.3Å; E610-Y616 WeakPolarHBondContact O-CE2 3.46Å; E610-Y616 WeakPolarHBondContact OE2-CE2 3.4Å; E610-Y616 PolarHBondContact OE2-OH 2.77Å; E610-I624 HydrophobicContact CB-CD1 4.03Å
611F93Very high90.9Very high5 Ų550.2 Ų50.22%0.02229%0.286CS..Hα-helixtrans-52.7-39.9178-177.1-97.1000113.6L607 Q613 R621 I624 I625 L697 S700 L704 L720 L724L607-F611 WeakPolarHBondContact O-CB 3.48Å; L607-F611 PolarHBondContact O-N 3.12Å; F611-Q613 VanDerWaalsContact C-N 3.3Å; F611-Q613 PolarHBondContact O-N 3.23Å; F611-R621 HydrophobicContact CD2-CB 3.95Å; F611-R621 HydrophobicContact CD2-CG 4.06Å; F611-R621 HydrophobicContact CE2-CB 3.72Å; F611-R621 HydrophobicContact CE2-CG 4.11Å; F611-R621 PolarHBondContact O-NE 2.92Å; F611-I624 HydrophobicContact CB-CG2 4.01Å; F611-I624 HydrophobicContact CD2-CG2 4.29Å; F611-I625 HydrophobicContact CD2-CD1 4.26Å; F611-I625 HydrophobicContact CD2-CG1 3.91Å; F611-I625 HydrophobicContact CE2-CD1 3.29Å; F611-I625 HydrophobicContact CE2-CG1 3.42Å; F611-I625 VanDerWaalsContact CE2-CG1 3.42Å; F611-I625 HydrophobicContact CZ-CD1 3.63Å; F611-I625 HydrophobicContact CZ-CG1 4.03Å; F611-L697 HydrophobicContact CB-CD2 4.39Å; F611-L697 HydrophobicContact CD1-CD2 3.73Å; F611-L697 HydrophobicContact CE1-CD2 4.22Å; F611-L697 HydrophobicContact CG-CD2 4Å; F611-S700 WeakPolarHBondContact CE1-OG 3.09Å; F611-L704 HydrophobicContact CE1-CD1 4.21Å; F611-L704 HydrophobicContact CZ-CD1 4.09Å; F611-L720 HydrophobicContact CE2-CD1 4.13Å; F611-L720 HydrophobicContact CE2-CD2 4.44Å; F611-L720 HydrophobicContact CZ-CD1 4.42Å; F611-L720 HydrophobicContact CZ-CD2 4.3Å; F611-L720 HydrophobicContact CZ-CG 4.38Å; F611-L724 HydrophobicContact CE1-CD1 4.35Å; F611-L724 HydrophobicContact CE1-CD2 4.15Å; F611-L724 HydrophobicContact CZ-CD1 4.27Å; F611-L724 HydrophobicContact CZ-CD2 4.21Å
612C88.6Confident90.8Very high59 Ų5947.9 Ų47.940%0.39928%0.277SS..THydrogen-bonded Turntrans-77.1-8.4-177.4-64.20000114.4T608 S609 E610T608-C612 PolarHBondContact O-N 2.86Å; T608-C612 PolarHBondContact O-SG 3.34Å; S609-C612 PolarHBondContact O-N 3.22Å; E610-C612 PolarHBondContact O-N 3.3Å; E610-C612 VanDerWaalsContact O-N 3.13Å
613Q88.1Confident90.7Very high79 Ų7945 Ų4537%0.36927%0.266SS..  trans-79.4144.6-179.2-64.9176.62500111.8S609 E610 F611 Y616 R621S609-Q613 WeakPolarHBondContact O-CG 3.26Å; E610-Q613 PolarHBondContact O-N 3.45Å; E610-Q613 PolarHBondContact OE1-NE2 3.27Å; E610-Q613 PolarHBondContact OE2-NE2 3.39Å; E610-Q613 PolarHBondContact OE2-OE1 3.33Å; F611-Q613 VanDerWaalsContact C-N 3.3Å; F611-Q613 PolarHBondContact O-N 3.23Å; Q613-Y616 HydrophobicContact CB-CD2 3.76Å; Q613-Y616 HydrophobicContact CB-CE2 3.61Å; Q613-Y616 HydrophobicContact CG-CE2 4.08Å; Q613-Y616 PolarHBondContact OE1-OH 3.38Å; Q613-Y616 VanDerWaalsContact OE1-OH 3.13Å; Q613-R621 PolarHBondContact O-NH2 3.4Å
614S78.4Confident90.6Very high110 Ų11045 Ų4577%0.76927%0.266SS*.THydrogen-bonded Turntrans-73.9-23.9-176.451.20000114.5Y616S614-Y616 VanDerWaalsContact C-N 3.34Å; S614-Y616 PolarHBondContact O-N 3.11Å
615G78.6Confident90.6Very high72 Ų7245.1 Ų45.174%0.74227%0.267SS*.THydrogen-bonded Turntrans-80.4-3.6-172.200000116.4
616Y83.3Confident90.6Very high54 Ų5441.5 Ų41.521%0.21226%0.261CS..  trans-94.7147.7-172.6-65.3-51000114.7H572 E610 Q613 S614H572-Y616 AromaticContact CE1-CE1 3.42Å; H572-Y616 VanDerWaalsContact CE1-CE1 3.42Å; H572-Y616 WeakPolarHBondContact CE1-CE1 3.43Å; H572-Y616 AromaticContact CE1-CZ 3.46Å; H572-Y616 VanDerWaalsContact CE1-CZ 3.46Å; H572-Y616 PolarHBondContact CE1-OH 2.8Å; H572-Y616 AromaticContact ND1-CE1 3.58Å; E610-Y616 HydrophobicContact CB-CE2 3.97Å; E610-Y616 WeakPolarHBondContact O-CD2 3.33Å; E610-Y616 VanDerWaalsContact O-CE2 3.3Å; E610-Y616 WeakPolarHBondContact O-CE2 3.46Å; E610-Y616 WeakPolarHBondContact OE2-CE2 3.4Å; E610-Y616 PolarHBondContact OE2-OH 2.77Å; Q613-Y616 HydrophobicContact CB-CD2 3.76Å; Q613-Y616 HydrophobicContact CB-CE2 3.61Å; Q613-Y616 HydrophobicContact CG-CE2 4.08Å; Q613-Y616 PolarHBondContact OE1-OH 3.38Å; Q613-Y616 VanDerWaalsContact OE1-OH 3.13Å; S614-Y616 VanDerWaalsContact C-N 3.34Å; S614-Y616 PolarHBondContact O-N 3.11Å
617S86.9Confident90.7Very high62 Ų6240.4 Ų40.443%0.43426%0.257SS..  trans-68.8155.1177.977.20000111.3G619 Q620 R621S617-G619 PolarHBondContact O-N 3.17Å; S617-Q620 VanDerWaalsContact N-OE1 3.14Å; S617-Q620 PolarHBondContact O-N 2.99Å; S617-Q620 WeakPolarHBondContact OG-CG 3.33Å; S617-Q620 PolarHBondContact OG-N 3.07Å; S617-Q620 PolarHBondContact OG-OE1 3.23Å; S617-R621 PolarHBondContact O-N 3.41Å; S617-R621 VanDerWaalsContact O-N 3.07Å
618I86.2Confident90.7Very high57 Ų5740.4 Ų40.429%0.29226%0.257SS..Hα-helixtrans-55.3-40.1172.8-177.161000111.9R621 M622 Q716 L720I618-R621 PolarHBondContact O-N 3.45Å; I618-M622 HydrophobicContact CD1-CE 4.27Å; I618-M622 HydrophobicContact CD1-CG 4.4Å; I618-M622 HydrophobicContact CG1-CG 4.47Å; I618-M622 VanDerWaalsContact O-CG 3.31Å; I618-M622 WeakPolarHBondContact O-CG 2.97Å; I618-M622 PolarHBondContact O-N 2.85Å; I618-Q716 HydrophobicContact CG1-CB 4.47Å; I618-L720 HydrophobicContact CD1-CB 3.61Å; I618-L720 HydrophobicContact CD1-CD1 3.87Å; I618-L720 HydrophobicContact CD1-CD2 3.8Å; I618-L720 HydrophobicContact CD1-CG 3.95Å
619G88Confident90.8Very high45 Ų4540.9 Ų40.946%0.46426%0.26SS..Hα-helixtrans-63.2-43.1178.800000112.5S617 M622 N623S617-G619 PolarHBondContact O-N 3.17Å; G619-M622 PolarHBondContact O-N 2.89Å; G619-N623 WeakPolarHBondContact O-CB 3.18Å; G619-N623 PolarHBondContact O-N 3.46Å
620Q90.7Very high91Very high46 Ų4639.8 Ų39.822%0.21525%0.249CC..Hα-helixtrans-62.5-44.7175-74.3169.6-31.500111.3S617 M622 N623 I624S617-Q620 VanDerWaalsContact N-OE1 3.14Å; S617-Q620 PolarHBondContact O-N 2.99Å; S617-Q620 WeakPolarHBondContact OG-CG 3.33Å; S617-Q620 PolarHBondContact OG-N 3.07Å; S617-Q620 PolarHBondContact OG-OE1 3.23Å; Q620-M622 PolarHBondContact O-N 2.91Å; Q620-N623 PolarHBondContact O-N 3.25Å; Q620-I624 VanDerWaalsContact O-CG1 3.28Å; Q620-I624 WeakPolarHBondContact O-CG1 3.45Å; Q620-I624 PolarHBondContact O-N 3Å
621R93.6Very high91.2Very high37 Ų3739 Ų3914%0.1425%0.246CC..Hα-helixtrans-62.6-41.1177.6-73-171.7-178.3159.44.7112.8F611 Q613 S617 I618 I624 I625 L720F611-R621 HydrophobicContact CD2-CB 3.95Å; F611-R621 HydrophobicContact CD2-CG 4.06Å; F611-R621 HydrophobicContact CE2-CB 3.72Å; F611-R621 HydrophobicContact CE2-CG 4.11Å; F611-R621 PolarHBondContact O-NE 2.92Å; Q613-R621 PolarHBondContact O-NH2 3.4Å; S617-R621 PolarHBondContact O-N 3.41Å; S617-R621 VanDerWaalsContact O-N 3.07Å; I618-R621 PolarHBondContact O-N 3.45Å; R621-I624 PolarHBondContact O-N 3.38Å; R621-I625 WeakPolarHBondContact O-CG1 3.47Å; R621-I625 PolarHBondContact O-N 3Å; R621-L720 HydrophobicContact CB-CD1 3.93Å; R621-L720 HydrophobicContact CB-CD2 4.11Å
622M92.5Very high91.4Very high48 Ų4838.8 Ų38.824%0.23625%0.245CC..Hα-helixtrans-63.2-43.5174.6-73.1-65-163.400112I618 G619 Q620 I624 I625 S626 L720I618-M622 HydrophobicContact CD1-CE 4.27Å; I618-M622 HydrophobicContact CD1-CG 4.4Å; I618-M622 HydrophobicContact CG1-CG 4.47Å; I618-M622 VanDerWaalsContact O-CG 3.31Å; I618-M622 WeakPolarHBondContact O-CG 2.97Å; I618-M622 PolarHBondContact O-N 2.85Å; G619-M622 PolarHBondContact O-N 2.89Å; Q620-M622 PolarHBondContact O-N 2.91Å; M622-I624 PolarHBondContact O-N 3.3Å; M622-I625 PolarHBondContact O-N 3.16Å; M622-S626 WeakPolarHBondContact O-CB 3.34Å; M622-S626 PolarHBondContact O-N 3.2Å; M622-L720 VanDerWaalsContact CE-CA 3.46Å; M622-L720 HydrophobicContact CE-CB 4.21Å; M622-L720 HydrophobicContact CE-CD1 4.05Å; M622-L720 HydrophobicContact CG-CD1 4.09Å; M622-L720 HydrophobicContact SD-CD1 3.65Å
623N93.1Very high91.7Very high44 Ų4436.2 Ų36.224%0.23523%0.228CC..Hα-helixtrans-60.8-44.7175.8-174.417.6000111.6G619 Q620 I625 S626 S627G619-N623 WeakPolarHBondContact O-CB 3.18Å; G619-N623 PolarHBondContact O-N 3.46Å; Q620-N623 PolarHBondContact O-N 3.25Å; N623-I625 PolarHBondContact O-N 3.38Å; N623-S626 PolarHBondContact O-N 2.6Å; N623-S627 VanDerWaalsContact O-CB 3.28Å; N623-S627 WeakPolarHBondContact O-CB 3.36Å; N623-S627 PolarHBondContact O-N 2.87Å; N623-S627 PolarHBondContact O-OG 3.23Å; N623-S627 PolarHBondContact OD1-OG 3.17Å
624I96.1Very high92Very high0 Ų036.5 Ų36.50%023%0.228CC..Hα-helixtrans-59.3-49.4176.8-69.8165.6000111.3V571 L607 E610 F611 Q620 R621 M622 S627 L628V571-I624 HydrophobicContact CG1-CD1 4.04Å; V571-I624 HydrophobicContact CG1-CG1 4.1Å; V571-I624 HydrophobicContact CG2-CG1 4.35Å; L607-I624 HydrophobicContact CB-CG2 4Å; L607-I624 HydrophobicContact CD2-CG1 4.29Å; L607-I624 WeakPolarHBondContact O-CG2 3.43Å; E610-I624 HydrophobicContact CB-CD1 4.03Å; F611-I624 HydrophobicContact CB-CG2 4.01Å; F611-I624 HydrophobicContact CD2-CG2 4.29Å; Q620-I624 VanDerWaalsContact O-CG1 3.28Å; Q620-I624 WeakPolarHBondContact O-CG1 3.45Å; Q620-I624 PolarHBondContact O-N 3Å; R621-I624 PolarHBondContact O-N 3.38Å; M622-I624 PolarHBondContact O-N 3.3Å; I624-S627 PolarHBondContact O-N 2.93Å; I624-L628 HydrophobicContact CG2-CD1 3.82Å; I624-L628 HydrophobicContact CG2-CG 4.39Å; I624-L628 WeakPolarHBondContact O-CB 3.3Å; I624-L628 WeakPolarHBondContact O-CG 3.34Å; I624-L628 PolarHBondContact O-N 2.77Å
625I95.9Very high92.7Very high3 Ų331.9 Ų31.92%0.01519%0.194CC..Hα-helixtrans-59-50.4178.2-73.1170.7000110.4F611 R621 M622 N623 S627 L628 T629 L720 L724 S727F611-I625 HydrophobicContact CD2-CD1 4.26Å; F611-I625 HydrophobicContact CD2-CG1 3.91Å; F611-I625 HydrophobicContact CE2-CD1 3.29Å; F611-I625 HydrophobicContact CE2-CG1 3.42Å; F611-I625 VanDerWaalsContact CE2-CG1 3.42Å; F611-I625 HydrophobicContact CZ-CD1 3.63Å; F611-I625 HydrophobicContact CZ-CG1 4.03Å; R621-I625 WeakPolarHBondContact O-CG1 3.47Å; R621-I625 PolarHBondContact O-N 3Å; M622-I625 PolarHBondContact O-N 3.16Å; N623-I625 PolarHBondContact O-N 3.38Å; I625-S627 VanDerWaalsContact C-N 3.31Å; I625-S627 PolarHBondContact O-N 2.78Å; I625-L628 PolarHBondContact O-N 2.85Å; I625-T629 PolarHBondContact O-N 3.48Å; I625-T629 PolarHBondContact O-OG1 3.32Å; I625-L720 HydrophobicContact CD1-CD1 3.56Å; I625-L720 HydrophobicContact CD1-CG 4.39Å; I625-L724 HydrophobicContact CD1-CB 3.85Å; I625-L724 HydrophobicContact CD1-CD1 3.99Å; I625-L724 HydrophobicContact CG1-CD1 4.12Å; I625-S727 VanDerWaalsContact CG2-CB 3.47Å; I625-S727 WeakPolarHBondContact CG2-OG 3.31Å
626S96Very high93.4Very high51 Ų5129.5 Ų29.536%0.35716%0.163SC..Hα-helixtrans-56.9-47.6-179.8-173.90000111.1H589 M622 N623 T629 D630H589-S626 PolarHBondContact CE1-OG 3.33Å; H589-S626 VanDerWaalsContact CE1-OG 3.27Å; M622-S626 WeakPolarHBondContact O-CB 3.34Å; M622-S626 PolarHBondContact O-N 3.2Å; N623-S626 PolarHBondContact O-N 2.6Å; S626-T629 PolarHBondContact O-N 3.27Å; S626-D630 PolarHBondContact O-N 2.94Å
627S96.9Very high93.7Very high0 Ų029.2 Ų29.20%018%0.176CC..Hα-helixtrans-61.4-47.5178.3-69.20000111.9H589 L592 N623 I624 I625 T629 D630 I631H589-S627 PolarHBondContact ND1-OG 3.32Å; L592-S627 VanDerWaalsContact CD2-OG 3.32Å; L592-S627 WeakPolarHBondContact CD2-OG 3.13Å; N623-S627 VanDerWaalsContact O-CB 3.28Å; N623-S627 WeakPolarHBondContact O-CB 3.36Å; N623-S627 PolarHBondContact O-N 2.87Å; N623-S627 PolarHBondContact O-OG 3.23Å; N623-S627 PolarHBondContact OD1-OG 3.17Å; I624-S627 PolarHBondContact O-N 2.93Å; I625-S627 VanDerWaalsContact C-N 3.31Å; I625-S627 PolarHBondContact O-N 2.78Å; S627-T629 VanDerWaalsContact C-N 3.3Å; S627-T629 PolarHBondContact O-N 3.48Å; S627-D630 PolarHBondContact O-N 2.82Å; S627-I631 WeakPolarHBondContact O-CB 3.27Å; S627-I631 VanDerWaalsContact O-CD1 3.29Å; S627-I631 WeakPolarHBondContact O-CD1 3.36Å; S627-I631 WeakPolarHBondContact O-CG1 3.16Å; S627-I631 PolarHBondContact O-N 3.12Å
628L97.8Very high93.7Very high0 Ų027.3 Ų27.30%017%0.166CC..Hα-helixtrans-59.9-40.3177.9-74.9171.1000112.2L607 T608 I624 I625 A632 F693 L697L607-L628 HydrophobicContact CB-CD1 4.21Å; L607-L628 HydrophobicContact CB-CD2 3.96Å; L607-L628 HydrophobicContact CB-CG 4.19Å; L607-L628 HydrophobicContact CD1-CD2 3.87Å; L607-L628 HydrophobicContact CD1-CG 4.13Å; T608-L628 HydrophobicContact CG2-CD1 3.78Å; I624-L628 HydrophobicContact CG2-CD1 3.82Å; I624-L628 HydrophobicContact CG2-CG 4.39Å; I624-L628 WeakPolarHBondContact O-CB 3.3Å; I624-L628 WeakPolarHBondContact O-CG 3.34Å; I624-L628 PolarHBondContact O-N 2.77Å; I625-L628 PolarHBondContact O-N 2.85Å; L628-A632 WeakPolarHBondContact O-CB 3.44Å; L628-A632 PolarHBondContact O-N 3.44Å; L628-F693 HydrophobicContact CB-CD1 4.34Å; L628-F693 HydrophobicContact CD2-CD1 3.61Å; L628-F693 HydrophobicContact CD2-CE1 3.68Å; L628-L697 HydrophobicContact CD1-CD1 4.01Å; L628-L697 HydrophobicContact CD1-CD2 4.14Å; L628-L697 HydrophobicContact CD1-CG 4.41Å
629T96.8Very high93.4Very high15 Ų1530.3 Ų30.39%0.09218%0.177CC..Hα-helixtrans-64.6-45.6176.4-61.40000111.7I625 S626 S627 A632 C633 S727 T730I625-T629 PolarHBondContact O-N 3.48Å; I625-T629 PolarHBondContact O-OG1 3.32Å; S626-T629 PolarHBondContact O-N 3.27Å; S627-T629 VanDerWaalsContact C-N 3.3Å; S627-T629 PolarHBondContact O-N 3.48Å; T629-A632 WeakPolarHBondContact O-CB 3.5Å; T629-A632 PolarHBondContact O-N 3.3Å; T629-C633 PolarHBondContact O-N 3.3Å; T629-C633 PolarHBondContact O-SG 3.2Å; T629-S727 WeakPolarHBondContact OG1-CB 3.43Å; T629-S727 PolarHBondContact OG1-OG 3.47Å; T629-T730 HydrophobicContact CG2-CG2 3.65Å
630D97Very high93.2Very high32 Ų3235.8 Ų35.817%0.17119%0.191CC..Hα-helixtrans-70.3-35.9179.4-79.9-12.1000112.6H589 V593 S626 S627 A632 C633 K634 K639H589-D630 IonicContact CD2-OD2 2.79Å; H589-D630 IonicContact CE1-OD2 3.44Å; H589-D630 IonicContact NE2-OD2 3.37Å; H589-D630 PolarHBondContact NE2-OD2 2.96Å; V593-D630 HydrophobicContact CG1-CB 4.43Å; V593-D630 HydrophobicContact CG2-CB 3.75Å; S626-D630 PolarHBondContact O-N 2.94Å; S627-D630 PolarHBondContact O-N 2.82Å; D630-A632 VanDerWaalsContact C-N 3.33Å; D630-A632 PolarHBondContact O-N 3.37Å; D630-C633 PolarHBondContact O-N 3.37Å; D630-K634 WeakPolarHBondContact O-CB 3.4Å; D630-K634 PolarHBondContact O-N 3.39Å; D630-K639 WeakPolarHBondContact OD1-CE 3.25Å; D630-K639 IonicContact OD1-NZ 3.43Å; D630-K639 PolarHBondContact OD1-NZ 2.82Å; D630-K639 IonicContact OD2-NZ 2.74Å
631I97.6Very high92.7Very high0 Ų034.2 Ų34.20%019%0.186CC..Hα-helixtrans-58.5-47.1170.7-68.1158.2000110.1V593 L607 S627 C633 K634 L635 F693V593-I631 HydrophobicContact CB-CG1 4.23Å; V593-I631 HydrophobicContact CG1-CG1 4.13Å; V593-I631 HydrophobicContact CG2-CG1 4.27Å; L607-I631 HydrophobicContact CD1-CD1 4.2Å; S627-I631 WeakPolarHBondContact O-CB 3.27Å; S627-I631 VanDerWaalsContact O-CD1 3.29Å; S627-I631 WeakPolarHBondContact O-CD1 3.36Å; S627-I631 WeakPolarHBondContact O-CG1 3.16Å; S627-I631 PolarHBondContact O-N 3.12Å; I631-C633 PolarHBondContact O-N 3.32Å; I631-K634 PolarHBondContact O-N 2.06Å; I631-L635 HydrophobicContact CG2-CD1 3.71Å; I631-L635 HydrophobicContact CG2-CG 4.41Å; I631-L635 WeakPolarHBondContact O-CB 3.21Å; I631-L635 WeakPolarHBondContact O-CG 3.45Å; I631-L635 PolarHBondContact O-N 2.91Å; I631-F693 HydrophobicContact CB-CE1 4.09Å; I631-F693 HydrophobicContact CG2-CE1 3.65Å; I631-F693 HydrophobicContact CG2-CZ 3.66Å
632A96.6Very high92Very high0 Ų034 Ų340%019%0.188CC..Hα-helixtrans-60.4-45.4177.900000111.5L628 T629 D630 L635 Y636 F686 I731 C734L628-A632 WeakPolarHBondContact O-CB 3.44Å; L628-A632 PolarHBondContact O-N 3.44Å; T629-A632 WeakPolarHBondContact O-CB 3.5Å; T629-A632 PolarHBondContact O-N 3.3Å; D630-A632 VanDerWaalsContact C-N 3.33Å; D630-A632 PolarHBondContact O-N 3.37Å; A632-L635 PolarHBondContact O-N 3.2Å; A632-Y636 WeakPolarHBondContact O-CB 3.5Å; A632-Y636 PolarHBondContact O-N 3.02Å; A632-F686 HydrophobicContact CB-CD1 4.46Å; A632-F686 HydrophobicContact CB-CD2 3.93Å; A632-F686 HydrophobicContact CB-CE1 4.09Å; A632-F686 HydrophobicContact CB-CE2 3.5Å; A632-F686 HydrophobicContact CB-CG 4.38Å; A632-F686 HydrophobicContact CB-CZ 3.59Å; A632-I731 HydrophobicContact CB-CG1 4.08Å; A632-C734 HydrophobicContact CB-CB 4.13Å
633C95.5Very high91.3Very high5 Ų537.3 Ų37.33%0.03421%0.205CC..Hα-helixtrans-61.9-44.9176.7-660000111.9T629 D630 I631 Y636 G637 G638 K639T629-C633 PolarHBondContact O-N 3.3Å; T629-C633 PolarHBondContact O-SG 3.2Å; D630-C633 PolarHBondContact O-N 3.37Å; I631-C633 PolarHBondContact O-N 3.32Å; C633-Y636 WeakPolarHBondContact O-CB 3.38Å; C633-Y636 PolarHBondContact O-N 3.3Å; C633-G637 PolarHBondContact O-N 3Å; C633-G637 VanDerWaalsContact O-N 3.17Å; C633-G638 WeakPolarHBondContact O-CA 3.44Å; C633-G638 PolarHBondContact O-N 3.35Å; C633-K639 HydrophobicContact CB-CG 4.09Å
634K94.2Very high90.6Very high86 Ų8638.3 Ų38.337%0.37422%0.216SC..Hα-helixtrans-67.8-36.9-178.1-157.9162.2-172.9-1790111.7E549 Y553 V593 V597 D630 I631 G637E549-K634 IonicContact OE1-NZ 3.9Å; E549-K634 PolarHBondContact OE1-NZ 3.46Å; Y553-K634 WeakPolarHBondContact OH-CD 3.26Å; Y553-K634 WeakPolarHBondContact OH-CE 3.3Å; Y553-K634 PolarHBondContact OH-NZ 2.9Å; V593-K634 HydrophobicContact CG1-CD 3.8Å; V597-K634 HydrophobicContact CG2-CB 3.84Å; V597-K634 HydrophobicContact CG2-CD 3.98Å; V597-K634 HydrophobicContact CG2-CG 3.93Å; D630-K634 WeakPolarHBondContact O-CB 3.4Å; D630-K634 PolarHBondContact O-N 3.39Å; I631-K634 PolarHBondContact O-N 2.06Å; K634-G637 PolarHBondContact O-N 3.29Å
635L94.1Very high89.1Confident12 Ų1241.3 Ų41.36%0.06323%0.23CC..Hα-helixtrans-71.3-29.4173.4-72.6168.6000113.5V597 P600 I631 A632 K685 F686V597-L635 HydrophobicContact CB-CD2 4.48Å; V597-L635 HydrophobicContact CG1-CD2 4.08Å; V597-L635 HydrophobicContact CG2-CG 4.32Å; P600-L635 HydrophobicContact CB-CD1 3.85Å; I631-L635 HydrophobicContact CG2-CD1 3.71Å; I631-L635 HydrophobicContact CG2-CG 4.41Å; I631-L635 WeakPolarHBondContact O-CB 3.21Å; I631-L635 WeakPolarHBondContact O-CG 3.45Å; I631-L635 PolarHBondContact O-N 2.91Å; A632-L635 PolarHBondContact O-N 3.2Å; L635-K685 HydrophobicContact CD2-CB 4.43Å; L635-K685 WeakPolarHBondContact O-CB 3.34Å; L635-K685 PolarHBondContact O-N 3.3Å; L635-K685 VanDerWaalsContact O-N 3.16Å; L635-F686 HydrophobicContact CB-CB 3.74Å; L635-F686 HydrophobicContact CB-CD2 4.15Å; L635-F686 HydrophobicContact CB-CG 4.42Å; L635-F686 HydrophobicContact CD1-CD2 3.94Å; L635-F686 PolarHBondContact O-N 2.93Å
636Y91.8Very high87.1Confident22 Ų2246 Ų469%0.08625%0.247CC..Hα-helixtrans-68.2-36.1173.6178.8-99.9000112.1A632 C633 A641 L642 Q645 I682 N684 C734A632-Y636 WeakPolarHBondContact O-CB 3.5Å; A632-Y636 PolarHBondContact O-N 3.02Å; C633-Y636 WeakPolarHBondContact O-CB 3.38Å; C633-Y636 PolarHBondContact O-N 3.3Å; Y636-A641 HydrophobicContact CD1-CB 4.26Å; Y636-A641 HydrophobicContact CE1-CB 4.07Å; Y636-L642 HydrophobicContact CD1-CB 4.08Å; Y636-L642 HydrophobicContact CE1-CB 4.19Å; Y636-Q645 WeakPolarHBondContact OH-CG 3.16Å; Y636-Q645 PolarHBondContact OH-NE2 3.08Å; Y636-I682 WeakPolarHBondContact O-CG2 3.08Å; Y636-N684 HydrophobicContact CD2-CB 4.2Å; Y636-N684 VanDerWaalsContact CD2-CG 3.5Å; Y636-N684 HydrophobicContact CE2-CB 4.28Å; Y636-C734 WeakPolarHBondContact CD2-O 3.35Å
637G89.3Confident84.4Confident48 Ų4852.3 Ų52.350%0.49527%0.269SS..THydrogen-bonded Turntrans138.36.8-176.200000114.4C633 K634 A641C633-G637 PolarHBondContact O-N 3Å; C633-G637 VanDerWaalsContact O-N 3.17Å; K634-G637 PolarHBondContact O-N 3.29Å; G637-A641 WeakPolarHBondContact O-CB 3.32Å
638G87.1Confident81.3Confident22 Ų2257.4 Ų57.423%0.22730%0.304CS..  trans106.5164.6-178.500000113.2C633 E640 A641 L642C633-G638 WeakPolarHBondContact O-CA 3.44Å; C633-G638 PolarHBondContact O-N 3.35Å; G638-E640 VanDerWaalsContact C-N 3.32Å; G638-E640 PolarHBondContact O-N 3.45Å; G638-A641 PolarHBondContact O-N 2.98Å; G638-L642 PolarHBondContact O-N 3.43Å
639K81.8Confident78.2Confident120 Ų12061.1 Ų61.152%0.52233%0.331SS..Hα-helixtrans-63.4-38.2179-68.1-179178.9175.30111.8D630 C633 A641 L642 L643D630-K639 WeakPolarHBondContact OD1-CE 3.25Å; D630-K639 IonicContact OD1-NZ 3.43Å; D630-K639 PolarHBondContact OD1-NZ 2.82Å; D630-K639 IonicContact OD2-NZ 2.74Å; C633-K639 HydrophobicContact CB-CG 4.09Å; K639-A641 PolarHBondContact O-N 2.97Å; K639-L642 WeakPolarHBondContact O-CB 3.38Å; K639-L642 PolarHBondContact O-N 3.24Å; K639-L643 WeakPolarHBondContact O-CG 3.49Å; K639-L643 PolarHBondContact O-N 3.41Å
640E82.5Confident75.1Confident160 Ų16068.2 Ų68.275%0.74837%0.368SS*.Hα-helixtrans-64-40.8177.7-63.3178.1177.800112.4G638 L642 L643 S644G638-E640 VanDerWaalsContact C-N 3.32Å; G638-E640 PolarHBondContact O-N 3.45Å; E640-L642 VanDerWaalsContact C-N 3.31Å; E640-L642 PolarHBondContact O-N 2.91Å; E640-L643 PolarHBondContact O-N 3.07Å; E640-S644 WeakPolarHBondContact O-CB 3.44Å; E640-S644 PolarHBondContact O-N 3.29Å; E640-S644 PolarHBondContact O-OG 3.21Å
641A80.2Confident71.8Confident14 Ų1474.4 Ų74.412%0.11640%0.395CS..Hα-helixtrans-62-40.1174.900000111.6Y636 G637 G638 K639 S644 I682Y636-A641 HydrophobicContact CD1-CB 4.26Å; Y636-A641 HydrophobicContact CE1-CB 4.07Å; G637-A641 WeakPolarHBondContact O-CB 3.32Å; G638-A641 PolarHBondContact O-N 2.98Å; K639-A641 PolarHBondContact O-N 2.97Å; A641-S644 PolarHBondContact O-N 2.92Å; A641-I682 HydrophobicContact CB-CD1 3.8Å
642L78.8Confident68.5Low33 Ų3383.3 Ų83.317%0.17344%0.437CS..Hα-helixtrans-65.4-45.1177-174.8145.8000111.7Y636 G638 K639 E640 S644 Q645 T730 A733 C734Y636-L642 HydrophobicContact CD1-CB 4.08Å; Y636-L642 HydrophobicContact CE1-CB 4.19Å; G638-L642 PolarHBondContact O-N 3.43Å; K639-L642 WeakPolarHBondContact O-CB 3.38Å; K639-L642 PolarHBondContact O-N 3.24Å; E640-L642 VanDerWaalsContact C-N 3.31Å; E640-L642 PolarHBondContact O-N 2.91Å; L642-S644 VanDerWaalsContact C-N 3.26Å; L642-S644 PolarHBondContact O-N 3.4Å; L642-Q645 WeakPolarHBondContact O-CB 3.43Å; L642-Q645 WeakPolarHBondContact O-CG 3.4Å; L642-Q645 PolarHBondContact O-N 3.47Å; L642-T730 HydrophobicContact CD1-CG2 4.4Å; L642-A733 HydrophobicContact CD1-CB 4Å; L642-A733 HydrophobicContact CG-CB 4.37Å; L642-C734 WeakPolarHBondContact CD1-SG 3.36Å
643L79.1Confident65.3Low116 Ų11688.7 Ų88.761%0.60746%0.464SS*.Hα-helixtrans-66.4-28.8176.8-66.6173.9000112.5K639 E640 Q645 F647K639-L643 WeakPolarHBondContact O-CG 3.49Å; K639-L643 PolarHBondContact O-N 3.41Å; E640-L643 PolarHBondContact O-N 3.07Å; L643-Q645 VanDerWaalsContact C-N 3.28Å; L643-Q645 PolarHBondContact O-N 2.68Å; L643-F647 WeakPolarHBondContact O-CD2 3.5Å
644S76.7Confident62.1Low65 Ų6594.6 Ų94.646%0.45550%0.501SS..THydrogen-bonded Turntrans-73.9-12.4179.8-610000114.3E640 A641 L642 R646 F647E640-S644 WeakPolarHBondContact O-CB 3.44Å; E640-S644 PolarHBondContact O-N 3.29Å; E640-S644 PolarHBondContact O-OG 3.21Å; A641-S644 PolarHBondContact O-N 2.92Å; L642-S644 VanDerWaalsContact C-N 3.26Å; L642-S644 PolarHBondContact O-N 3.4Å; S644-R646 PolarHBondContact O-N 2.85Å; S644-F647 PolarHBondContact O-N 2.91Å
645Q66.1Low59Low63 Ų6397 Ų9729%0.29452%0.517SS..THydrogen-bonded Turntrans-53.7-26.8179.3-75.6-174.76.900113.4Y636 L642 L643 A733Y636-Q645 WeakPolarHBondContact OH-CG 3.16Å; Y636-Q645 PolarHBondContact OH-NE2 3.08Å; L642-Q645 WeakPolarHBondContact O-CB 3.43Å; L642-Q645 WeakPolarHBondContact O-CG 3.4Å; L642-Q645 PolarHBondContact O-N 3.47Å; L643-Q645 VanDerWaalsContact C-N 3.28Å; L643-Q645 PolarHBondContact O-N 2.68Å; Q645-A733 PolarHBondContact NE2-O 3.15Å
646R52.4Low56Low102 Ų102103.4 Ų103.439%0.38555%0.552SS.*SBendtrans-105.1-26.4-176.6-81.4-173.8150.1-146-18.1116.1S644 S648 S649 T776S644-R646 PolarHBondContact O-N 2.85Å; R646-S648 PolarHBondContact O-N 3.48Å; R646-S648 VanDerWaalsContact O-N 3.09Å; R646-S649 PolarHBondContact O-N 3.06Å; R646-S649 PolarHBondContact O-OG 3.23Å; R646-T776 PolarHBondContact NE-O 3.45Å; R646-T776 VanDerWaalsContact NH1-CG2 3.26Å; R646-T776 PolarHBondContact NH2-O 3.01Å
647F40.7Very low53.1Low184 Ų184110.2 Ų110.281%0.80759%0.59SS**THydrogen-bonded Turntrans-75.83.1-175.6-68.4-71000114.3L643 S644L643-F647 WeakPolarHBondContact O-CD2 3.5Å; S644-F647 PolarHBondContact O-N 2.91Å
648S32.2Very low50.2Low106 Ų106111.7 Ų111.774%0.74160%0.597SS**THydrogen-bonded Turntrans-100.75.2175.8-68.10000115.1R646 N650R646-S648 PolarHBondContact O-N 3.48Å; R646-S648 VanDerWaalsContact O-N 3.09Å; S648-N650 PolarHBondContact O-N 3.44Å
649S31.7Very low47.4Very low79 Ų79116.9 Ų116.955%0.55262%0.624SS**SBendtrans-83.792.8169.8490000111.2R646 H651R646-S649 PolarHBondContact O-N 3.06Å; R646-S649 PolarHBondContact O-OG 3.23Å; S649-H651 VanDerWaalsContact C-N 3.25Å; S649-H651 PolarHBondContact O-N 3.48Å
650N31.4Very low44.9Very low164 Ų164117.1 Ų117.188%0.87764%0.636SS**  trans20.635.6147.2-77-15.1000121.9S648 Q652S648-N650 PolarHBondContact O-N 3.44Å; N650-Q652 VanDerWaalsContact C-N 3.33Å
651H28.7Very low42.3Very low162 Ų162113.5 Ų113.575%0.7563%0.633SS**  trans-99.251.6161.1-89.2-47.6000110.9S649 I653S649-H651 VanDerWaalsContact C-N 3.25Å; S649-H651 PolarHBondContact O-N 3.48Å; H651-I653 HydrophobicContact CB-CG1 4.35Å; H651-I653 WeakPolarHBondContact ND1-CG1 3.38Å; H651-I653 PolarHBondContact O-N 2.96Å
652Q28.4Very low39.8Very low187 Ų187119.7 Ų119.787%0.87466%0.664SS**  trans-75.878134.7-74.6-175.6-6.400105.9N650 T654N650-Q652 VanDerWaalsContact C-N 3.33Å; Q652-T654 PolarHBondContact O-N 3.43Å
653I29.6Very low37.6Very low112 Ų112125.4 Ų125.457%0.57470%0.695SS**  trans-53.7127.8161.7-65.5176000105.4H651 N655H651-I653 HydrophobicContact CB-CG1 4.35Å; H651-I653 WeakPolarHBondContact ND1-CG1 3.38Å; H651-I653 PolarHBondContact O-N 2.96Å; I653-N655 PolarHBondContact O-N 3.22Å
654T27.9Very low35.4Very low129 Ų129127 Ų12779%0.79171%0.705SS**  trans-53.170.6173.348.30000111.3Q652Q652-T654 PolarHBondContact O-N 3.43Å
655N29.6Very low33.4Very low136 Ų136132.9 Ų132.973%0.72773%0.725SS**  trans-91.190.7155.3-79.2-5.5000104.8I653I653-N655 PolarHBondContact O-N 3.22Å
656N29.2Very low31.8Very low148 Ų148139.8 Ų139.879%0.79175%0.753SS**  trans173.749.4148.7-81-14.1000111
657D31.5Very low31.1Very low165 Ų165142.5 Ų142.588%0.88277%0.771SS**SBendtrans-10264152.3-85.4-17000108.1
658A28.2Very low30.9Very low79 Ų79144.1 Ų144.165%0.65378%0.777SS**  trans164.3104.2158.100000107
659V29.4Very low31.1Very low130 Ų130145.4 Ų145.479%0.78878%0.776SS**SBendtrans177.6108.8131.1156.50000107.4
660T27.8Very low31.4Very low125 Ų125152.2 Ų152.277%0.76779%0.79SS**  trans69.799.3154.2450000120.1
661A27.9Very low31.8Very low84 Ų84155.8 Ų155.869%0.69479%0.791SS**  -18.1122.2121.200000114.8
662N29.2Very low32.4Very low144 Ų144156.9 Ų156.977%0.7779%0.794SS**  165.4105.7129.8-85.4-12.3000109.2
663N32.2Very low33Very low154 Ų154153.9 Ų153.982%0.82479%0.792SS**  168.5114117.6-84.1-16.2000110.3H665N663-H665 PolarHBondContact O-N 3.09Å
664D32.1Very low33.9Very low150 Ų150158 Ų15880%0.80281%0.805SS**  trans-50.4113.8158.3-77.3-52.1000110.7
665H36Very low34.7Very low188 Ų188161.3 Ų161.387%0.8781%0.809SS**  trans-149.8106.9142.4-84.5-55.3000109.6N663 E667N663-H665 PolarHBondContact O-N 3.09Å; H665-E667 PolarHBondContact O-N 3.2Å; H665-E667 VanDerWaalsContact O-N 3.11Å
666K32.7Very low35.6Very low207 Ų207166 Ų16690%0.982%0.816SS**  trans-65.495.7169.4-71.6174176.4171.10109.9
667E36.9Very low36.5Very low160 Ų160164.2 Ų164.275%0.74881%0.813SS**  trans-136.4125.3152.9-74.8-167.5159.400110.3H665 N669H665-E667 PolarHBondContact O-N 3.2Å; H665-E667 VanDerWaalsContact O-N 3.11Å; E667-N669 PolarHBondContact O-N 2.92Å
668K35.8Very low37.1Very low217 Ų217161.9 Ų161.994%0.94381%0.807SS**  trans-69.470.9-178.8-71.3176.1176.3174.70110.5R670K668-R670 PolarHBondContact O-N 2.55Å
669N37.2Very low38.2Very low134 Ų134163.6 Ų163.672%0.71781%0.811SS**  trans-84.699168.5-77.3-23.5000109.3E667 R671E667-N669 PolarHBondContact O-N 2.92Å; N669-R671 PolarHBondContact O-N 3.15Å
670R37.5Very low39.6Very low222 Ų222162.8 Ų162.884%0.83881%0.812SS**  trans-51.6103.1167.9-166.2178-174.5177.51.2107.9K668 F672K668-R670 PolarHBondContact O-N 2.55Å; R670-F672 PolarHBondContact O-N 3.46Å
671R40.9Very low41.4Very low239 Ų239165.8 Ų165.890%0.90281%0.81SS**  trans-61.5102.6176.6-73.9179.3179170.6-0.7108.1N669 C673N669-R671 PolarHBondContact O-N 3.15Å; R671-C673 PolarHBondContact O-N 3.04Å
672F39.8Very low43.5Very low185 Ų185166 Ų16681%0.81180%0.799SS**  trans-60.6111161.8-72.8-87.3000106.3R670 K674R670-F672 PolarHBondContact O-N 3.46Å; F672-K674 VanDerWaalsContact C-N 3.33Å; F672-K674 PolarHBondContact O-N 3.08Å
673C42.2Very low46Very low123 Ų123164.5 Ų164.583%0.83179%0.789SS**  trans-51.3104.5165.4-67.90000106.6R671 K675R671-C673 PolarHBondContact O-N 3.04Å; C673-K675 PolarHBondContact O-N 2.89Å
674K48Very low48.7Very low199 Ų199158.4 Ų158.487%0.86576%0.757SS**  trans-52116.1167.3-72.5-177.9177.6-179.10104.8F672 R676F672-K674 VanDerWaalsContact C-N 3.33Å; F672-K674 PolarHBondContact O-N 3.08Å; K674-R676 PolarHBondContact O-N 3.28Å
675K45.6Very low51.6Low199 Ų199158 Ų15887%0.86575%0.748SS**  trans-48.8113.5172.6-70.5-178.9177.9-179.50105.2C673 P677C673-K675 PolarHBondContact O-N 2.89Å; K675-P677 WeakPolarHBondContact O-CD 3.49Å; K675-P677 VanDerWaalsContact O-N 3.08Å
676R47.4Very low54.4Low233 Ų233149 Ų14988%0.87971%0.706SS**PPolyproline II helixtrans-52.2122.5168.5-79.1179.6176.6164-2.3104.6K674K674-R676 PolarHBondContact O-N 3.28Å
677P48.1Very low57.3Low112 Ų112139.8 Ų139.873%0.72767%0.669SS**PPolyproline II helixtrans-52.5140170.521.3-29.5000107.2K675K675-P677 WeakPolarHBondContact O-CD 3.49Å; K675-P677 VanDerWaalsContact O-N 3.08Å
678P45Very low60.1Low115 Ų115136.8 Ų136.875%0.74766%0.663SS**PPolyproline II helixtrans-53.3139.1177.223.3-31.8000108.2S680P678-S680 PolarHBondContact O-N 3.45Å
679P51.5Low62.9Low115 Ų115129.4 Ų129.475%0.74763%0.631SS**PPolyproline II helixtrans-54.3130.8179.722-31.4000108.8Y681P679-Y681 PolarHBondContact O-N 3.42Å
680S56.9Low65.7Low114 Ų114123 Ų12380%0.79760%0.597SS**  trans-60.9105.5171.752.70000107.8P678P678-S680 PolarHBondContact O-N 3.45Å
681Y65.5Low68.5Low188 Ų188113.3 Ų113.374%0.73757%0.566SS**  trans-88.7128.6174.562.4-86.3000108.6P679 I683P679-Y681 PolarHBondContact O-N 3.42Å; Y681-I683 HydrophobicContact CD2-CG1 3.91Å; Y681-I683 HydrophobicContact CE2-CD1 4Å; Y681-I683 HydrophobicContact CE2-CG1 3.79Å
682I72.2Confident71.1Confident88 Ų88104.4 Ų104.445%0.45154%0.535SS..  trans-90.4120.4172.6-66.5155.5000107Y636 A641 N684Y636-I682 WeakPolarHBondContact O-CG2 3.08Å; A641-I682 HydrophobicContact CB-CD1 3.8Å; I682-N684 PolarHBondContact O-N 2.95Å
683I82.2Confident73.8Confident112 Ų11295.6 Ų95.657%0.57450%0.496SS*.  trans-79109172.7-57.8175.3000107.5Y681 K685Y681-I683 HydrophobicContact CD2-CG1 3.91Å; Y681-I683 HydrophobicContact CE2-CD1 4Å; Y681-I683 HydrophobicContact CE2-CG1 3.79Å; I683-K685 HydrophobicContact CG2-CG 4.38Å; I683-K685 PolarHBondContact O-N 2.91Å
684N89.7Confident76.4Confident27 Ų2789.8 Ų89.814%0.14446%0.457CS..  trans-70.991.8175.2-174.1-0.6000110.7Y636 I682 F686 A687 C734 S736Y636-N684 HydrophobicContact CD2-CB 4.2Å; Y636-N684 VanDerWaalsContact CD2-CG 3.5Å; Y636-N684 HydrophobicContact CE2-CB 4.28Å; I682-N684 PolarHBondContact O-N 2.95Å; N684-F686 PolarHBondContact O-N 3.47Å; N684-F686 VanDerWaalsContact OD1-CB 3.27Å; N684-F686 WeakPolarHBondContact OD1-CB 3.47Å; N684-F686 PolarHBondContact OD1-N 3.33Å; N684-A687 HydrophobicContact CB-CB 4.44Å; N684-A687 PolarHBondContact OD1-N 3.38Å; N684-C734 PolarHBondContact ND2-O 2.83Å; N684-C734 PolarHBondContact OD1-O 2.86Å; N684-S736 PolarHBondContact ND2-O 2.81Å
685K92.3Very high78.8Confident140 Ų14082.5 Ų82.561%0.60943%0.425SS*.THydrogen-bonded Turntrans-72.3-12.8177.1-60.2178.8-179.5177.10112.5L635 I683 P688 F689L635-K685 HydrophobicContact CD2-CB 4.43Å; L635-K685 WeakPolarHBondContact O-CB 3.34Å; L635-K685 PolarHBondContact O-N 3.3Å; L635-K685 VanDerWaalsContact O-N 3.16Å; I683-K685 HydrophobicContact CG2-CG 4.38Å; I683-K685 PolarHBondContact O-N 2.91Å; K685-P688 WeakPolarHBondContact O-CD 3.4Å; K685-F689 WeakPolarHBondContact O-CD2 3.34Å
686F95.4Very high81.1Confident0 Ų074.9 Ų74.90%040%0.396CS..THydrogen-bonded Turntrans-79.1-30.1178.4-175.5-108.5000113.2A632 L635 N684 P688 F689 A690 F693 I731 C734A632-F686 HydrophobicContact CB-CD1 4.46Å; A632-F686 HydrophobicContact CB-CD2 3.93Å; A632-F686 HydrophobicContact CB-CE1 4.09Å; A632-F686 HydrophobicContact CB-CE2 3.5Å; A632-F686 HydrophobicContact CB-CG 4.38Å; A632-F686 HydrophobicContact CB-CZ 3.59Å; L635-F686 HydrophobicContact CB-CB 3.74Å; L635-F686 HydrophobicContact CB-CD2 4.15Å; L635-F686 HydrophobicContact CB-CG 4.42Å; L635-F686 HydrophobicContact CD1-CD2 3.94Å; L635-F686 PolarHBondContact O-N 2.93Å; N684-F686 PolarHBondContact O-N 3.47Å; N684-F686 VanDerWaalsContact OD1-CB 3.27Å; N684-F686 WeakPolarHBondContact OD1-CB 3.47Å; N684-F686 PolarHBondContact OD1-N 3.33Å; F686-P688 VanDerWaalsContact C-N 3.34Å; F686-P688 VanDerWaalsContact O-N 3.12Å; F686-F689 PolarHBondContact O-N 3.15Å; F686-A690 HydrophobicContact CD1-CB 4.19Å; F686-A690 HydrophobicContact CE1-CB 3.74Å; F686-A690 HydrophobicContact CZ-CB 4.3Å; F686-A690 PolarHBondContact O-N 2.97Å; F686-F693 HydrophobicContact CE2-CB 4.34Å; F686-F693 AromaticContact CE2-CD1 3.94Å; F686-F693 HydrophobicContact CE2-CD1 3.94Å; F686-F693 AromaticContact CE2-CD2 3.61Å; F686-F693 HydrophobicContact CE2-CD2 3.61Å; F686-F693 HydrophobicContact CE2-CE1 4.11Å; F686-F693 AromaticContact CE2-CE2 3.78Å; F686-F693 HydrophobicContact CE2-CE2 3.78Å; F686-F693 AromaticContact CE2-CG 3.7Å; F686-F693 HydrophobicContact CE2-CG 3.7Å; F686-F693 HydrophobicContact CE2-CZ 4.04Å; F686-F693 HydrophobicContact CZ-CB 4.01Å; F686-F693 HydrophobicContact CZ-CD1 4.33Å; F686-F693 HydrophobicContact CZ-CD2 4.07Å; F686-F693 AromaticContact CZ-CG 3.89Å; F686-F693 HydrophobicContact CZ-CG 3.89Å; F686-I731 HydrophobicContact CE1-CG2 4.09Å; F686-I731 HydrophobicContact CZ-CG2 3.91Å; F686-C734 HydrophobicContact CD1-CB 3.65Å; F686-C734 WeakPolarHBondContact CD1-O 3.21Å; F686-C734 HydrophobicContact CE1-CB 3.93Å; F686-C734 HydrophobicContact CG-CB 4.34Å
687A93.2Very high83.5Confident13 Ų1363.8 Ų63.811%0.10735%0.354CS..THydrogen-bonded Turntrans-49.3-41-172.700000115.3N684 F689 S738N684-A687 HydrophobicContact CB-CB 4.44Å; N684-A687 PolarHBondContact OD1-N 3.38Å; A687-F689 VanDerWaalsContact C-N 3.29Å; A687-F689 PolarHBondContact O-N 3.01Å; A687-S738 WeakPolarHBondContact O-CB 3.5Å; A687-S738 PolarHBondContact O-OG 3.47Å
688P94.9Very high85.7Confident98 Ų9859.5 Ų59.564%0.63633%0.325SS*.THydrogen-bonded Turntrans-68.6-23.9177.8-20.434000114.5K685 F686K685-P688 WeakPolarHBondContact O-CD 3.4Å; F686-P688 VanDerWaalsContact C-N 3.34Å; F686-P688 VanDerWaalsContact O-N 3.12Å
689F95.4Very high88Confident61 Ų6162.5 Ų62.527%0.26833%0.327SS..THydrogen-bonded Turntrans-101.7-10.7-173.6-53.5-70.1000113.3P600 K601 K685 F686 A687 G691 E692 F693P600-F689 HydrophobicContact CB-CD1 4.37Å; P600-F689 HydrophobicContact CB-CD2 4.06Å; P600-F689 HydrophobicContact CB-CE2 4.34Å; P600-F689 HydrophobicContact CB-CG 4.07Å; P600-F689 HydrophobicContact CG-CD1 4.19Å; P600-F689 HydrophobicContact CG-CD2 3.86Å; P600-F689 HydrophobicContact CG-CE1 3.98Å; P600-F689 HydrophobicContact CG-CE2 3.62Å; P600-F689 HydrophobicContact CG-CG 4.13Å; P600-F689 HydrophobicContact CG-CZ 3.68Å; K601-F689 HydrophobicContact CB-CD1 4.14Å; K601-F689 HydrophobicContact CB-CE1 4.22Å; K685-F689 WeakPolarHBondContact O-CD2 3.34Å; F686-F689 PolarHBondContact O-N 3.15Å; A687-F689 VanDerWaalsContact C-N 3.29Å; A687-F689 PolarHBondContact O-N 3.01Å; F689-G691 PolarHBondContact O-N 3.47Å; F689-E692 WeakPolarHBondContact O-CB 3.48Å; F689-E692 PolarHBondContact O-N 3.3Å; F689-F693 HydrophobicContact CB-CD2 4.26Å; F689-F693 HydrophobicContact CB-CE2 3.94Å; F689-F693 WeakPolarHBondContact O-CD2 3.21Å
690A95.5Very high89.9Confident0 Ų057.5 Ų57.50%029%0.294CS..Hα-helixtrans-47.7-41.7-17200000114.5F686 E692 F693 F694 S735 V740 M744F686-A690 HydrophobicContact CD1-CB 4.19Å; F686-A690 HydrophobicContact CE1-CB 3.74Å; F686-A690 HydrophobicContact CZ-CB 4.3Å; F686-A690 PolarHBondContact O-N 2.97Å; A690-E692 VanDerWaalsContact C-N 3.34Å; A690-E692 PolarHBondContact O-N 3.19Å; A690-F693 PolarHBondContact O-N 3.15Å; A690-F694 VanDerWaalsContact O-CB 3.3Å; A690-F694 WeakPolarHBondContact O-CB 3.48Å; A690-F694 PolarHBondContact O-N 2.87Å; A690-S735 VanDerWaalsContact CB-CB 3.5Å; A690-V740 HydrophobicContact CB-CG2 4.28Å; A690-M744 HydrophobicContact CB-SD 4.23Å
691G95.9Very high91.6Very high19 Ų1952.2 Ų52.220%0.19626%0.257CS..Hα-helixtrans-64.3-33.4179.500000114.4F689 F693 F695F689-G691 PolarHBondContact O-N 3.47Å; G691-F693 VanDerWaalsContact C-N 3.31Å; G691-F693 PolarHBondContact O-N 2.92Å; G691-F695 VanDerWaalsContact O-CD2 3.28Å; G691-F695 WeakPolarHBondContact O-CD2 3.18Å; G691-F695 PolarHBondContact O-N 2.94Å
692E95.7Very high92.7Very high52 Ų5246.9 Ų46.924%0.24325%0.246CC..Hα-helixtrans-71.8-27.6-179.9-59.6-80.3-176.700111.7K601 A604 R605 F689 A690 P696K601-E692 HydrophobicContact CG-CG 4.5Å; A604-E692 HydrophobicContact CB-CB 4.39Å; R605-E692 WeakPolarHBondContact CG-OE2 3.14Å; R605-E692 IonicContact CZ-OE1 2.8Å; R605-E692 IonicContact CZ-OE2 2.94Å; R605-E692 IonicContact NE-OE1 2.75Å; R605-E692 PolarHBondContact NE-OE1 3.49Å; R605-E692 IonicContact NE-OE2 2.85Å; R605-E692 PolarHBondContact NE-OE2 3.32Å; R605-E692 IonicContact NH2-OE1 3.7Å; R605-E692 PolarHBondContact NH2-OE1 2.93Å; R605-E692 IonicContact NH2-OE2 3Å; R605-E692 PolarHBondContact NH2-OE2 3.3Å; F689-E692 WeakPolarHBondContact O-CB 3.48Å; F689-E692 PolarHBondContact O-N 3.3Å; A690-E692 VanDerWaalsContact C-N 3.34Å; A690-E692 PolarHBondContact O-N 3.19Å; E692-P696 WeakPolarHBondContact O-CG 3.39Å
693F97.2Very high93.5Very high0 Ų048.8 Ų48.80%025%0.252CS..Hα-helixtrans-83-44.3175-73.5-110.9000111P600 A604 L628 I631 F686 F689 A690 G691 L697 I731P600-F693 HydrophobicContact CB-CE2 4.33Å; P600-F693 HydrophobicContact CB-CZ 4.33Å; A604-F693 HydrophobicContact CB-CD1 4.2Å; A604-F693 HydrophobicContact CB-CD2 3.57Å; A604-F693 HydrophobicContact CB-CE1 4.05Å; A604-F693 HydrophobicContact CB-CE2 3.42Å; A604-F693 VanDerWaalsContact CB-CE2 3.42Å; A604-F693 HydrophobicContact CB-CG 3.97Å; A604-F693 HydrophobicContact CB-CZ 3.67Å; L628-F693 HydrophobicContact CB-CD1 4.34Å; L628-F693 HydrophobicContact CD2-CD1 3.61Å; L628-F693 HydrophobicContact CD2-CE1 3.68Å; I631-F693 HydrophobicContact CB-CE1 4.09Å; I631-F693 HydrophobicContact CG2-CE1 3.65Å; I631-F693 HydrophobicContact CG2-CZ 3.66Å; F686-F693 HydrophobicContact CE2-CB 4.34Å; F686-F693 AromaticContact CE2-CD1 3.94Å; F686-F693 HydrophobicContact CE2-CD1 3.94Å; F686-F693 AromaticContact CE2-CD2 3.61Å; F686-F693 HydrophobicContact CE2-CD2 3.61Å; F686-F693 HydrophobicContact CE2-CE1 4.11Å; F686-F693 AromaticContact CE2-CE2 3.78Å; F686-F693 HydrophobicContact CE2-CE2 3.78Å; F686-F693 AromaticContact CE2-CG 3.7Å; F686-F693 HydrophobicContact CE2-CG 3.7Å; F686-F693 HydrophobicContact CE2-CZ 4.04Å; F686-F693 HydrophobicContact CZ-CB 4.01Å; F686-F693 HydrophobicContact CZ-CD1 4.33Å; F686-F693 HydrophobicContact CZ-CD2 4.07Å; F686-F693 AromaticContact CZ-CG 3.89Å; F686-F693 HydrophobicContact CZ-CG 3.89Å; F689-F693 HydrophobicContact CB-CD2 4.26Å; F689-F693 HydrophobicContact CB-CE2 3.94Å; F689-F693 WeakPolarHBondContact O-CD2 3.21Å; A690-F693 PolarHBondContact O-N 3.15Å; G691-F693 VanDerWaalsContact C-N 3.31Å; G691-F693 PolarHBondContact O-N 2.92Å; F693-L697 WeakPolarHBondContact O-CD1 3.46Å; F693-L697 VanDerWaalsContact O-CG 3.31Å; F693-L697 WeakPolarHBondContact O-CG 3.36Å; F693-I731 HydrophobicContact CB-CG2 4.33Å
694F97.5Very high93.8Very high0 Ų044 Ų440%023%0.228CC..Hα-helixtrans-81.8-52.5-165.6-179.5-90000114.4A690 L697 L698 L728 I731 M744 E747 L748A690-F694 VanDerWaalsContact O-CB 3.3Å; A690-F694 WeakPolarHBondContact O-CB 3.48Å; A690-F694 PolarHBondContact O-N 2.87Å; F694-L697 PolarHBondContact O-N 2.84Å; F694-L698 HydrophobicContact CE1-CB 4.33Å; F694-L698 HydrophobicContact CE1-CD1 4.38Å; F694-L698 HydrophobicContact CE1-CD2 4.03Å; F694-L698 HydrophobicContact CE1-CG 4.49Å; F694-L698 HydrophobicContact CZ-CD1 4.27Å; F694-L698 WeakPolarHBondContact O-CB 3.41Å; F694-L698 PolarHBondContact O-N 3.02Å; F694-L728 HydrophobicContact CD2-CD2 3.58Å; F694-L728 HydrophobicContact CE2-CB 4.19Å; F694-L728 HydrophobicContact CE2-CD2 3.78Å; F694-L728 HydrophobicContact CG-CD2 4.24Å; F694-I731 HydrophobicContact CB-CG2 4.18Å; F694-I731 HydrophobicContact CD2-CG2 4.25Å; F694-M744 HydrophobicContact CB-CE 3.72Å; F694-M744 HydrophobicContact CB-SD 4.49Å; F694-M744 HydrophobicContact CD1-CB 4.14Å; F694-M744 HydrophobicContact CD1-CE 4.21Å; F694-M744 HydrophobicContact CD1-CG 3.63Å; F694-M744 HydrophobicContact CD2-CE 3.34Å; F694-M744 HydrophobicContact CD2-CG 4.36Å; F694-M744 HydrophobicContact CE1-CB 3.82Å; F694-M744 HydrophobicContact CE1-CG 3.82Å; F694-M744 HydrophobicContact CE2-CB 4.23Å; F694-M744 HydrophobicContact CE2-CE 3.96Å; F694-M744 HydrophobicContact CG-CB 4.49Å; F694-M744 HydrophobicContact CG-CE 3.49Å; F694-M744 VanDerWaalsContact CG-CE 3.49Å; F694-M744 HydrophobicContact CG-CG 3.93Å; F694-M744 HydrophobicContact CG-SD 4.35Å; F694-M744 HydrophobicContact CZ-CB 3.88Å; F694-M744 HydrophobicContact CZ-CG 4.28Å; F694-E747 HydrophobicContact CE1-CB 4.44Å; F694-L748 HydrophobicContact CE2-CD1 4.06Å; F694-L748 HydrophobicContact CE2-CD2 3.76Å; F694-L748 HydrophobicContact CE2-CG 3.93Å; F694-L748 HydrophobicContact CZ-CD1 4.28Å; F694-L748 HydrophobicContact CZ-CD2 3.7Å; F694-L748 HydrophobicContact CZ-CG 3.72Å
695F97Very high93.7Very high46 Ų4643.8 Ų43.820%0.20223%0.229CC..Hα-helixtrans-68.6-38.3-169.5-64.3-64.1000114.2G691 L697 L698 K699 V740 R743 M744G691-F695 VanDerWaalsContact O-CD2 3.28Å; G691-F695 WeakPolarHBondContact O-CD2 3.18Å; G691-F695 PolarHBondContact O-N 2.94Å; F695-L697 VanDerWaalsContact C-N 3.35Å; F695-L698 HydrophobicContact CD1-CD2 4.45Å; F695-L698 PolarHBondContact O-N 3.41Å; F695-K699 PolarHBondContact O-N 3.43Å; F695-K699 VanDerWaalsContact O-N 3.08Å; F695-V740 HydrophobicContact CE2-CB 4.01Å; F695-V740 HydrophobicContact CE2-CG1 4.25Å; F695-V740 HydrophobicContact CE2-CG2 4.25Å; F695-V740 HydrophobicContact CZ-CB 4.17Å; F695-R743 HydrophobicContact CE1-CG 4.03Å; F695-R743 HydrophobicContact CZ-CB 4.31Å; F695-R743 HydrophobicContact CZ-CG 4.03Å; F695-M744 HydrophobicContact CE1-CG 4.38Å; F695-M744 HydrophobicContact CZ-CG 3.98Å
696P95.4Very high93.5Very high39 Ų3943.5 Ų43.525%0.25323%0.233SC..Hα-helixtrans-60.9-42.8173.3-2839000112.8T608 E692 K699T608-P696 HydrophobicContact CG2-CB 4.1Å; E692-P696 WeakPolarHBondContact O-CG 3.39Å; P696-K699 WeakPolarHBondContact O-CB 3.45Å; P696-K699 PolarHBondContact O-N 2.83Å
697L96Very high93.1Very high1 Ų145.4 Ų45.41%0.00525%0.247CC..Hα-helixtrans-63-46.9175.6-72.1-178.6000111.3T608 F611 L628 F693 F694 F695 K699 S700 L724 L728 I731T608-L697 HydrophobicContact CG2-CD2 4.09Å; T608-L697 HydrophobicContact CG2-CG 3.92Å; F611-L697 HydrophobicContact CB-CD2 4.39Å; F611-L697 HydrophobicContact CD1-CD2 3.73Å; F611-L697 HydrophobicContact CE1-CD2 4.22Å; F611-L697 HydrophobicContact CG-CD2 4Å; L628-L697 HydrophobicContact CD1-CD1 4.01Å; L628-L697 HydrophobicContact CD1-CD2 4.14Å; L628-L697 HydrophobicContact CD1-CG 4.41Å; F693-L697 WeakPolarHBondContact O-CD1 3.46Å; F693-L697 VanDerWaalsContact O-CG 3.31Å; F693-L697 WeakPolarHBondContact O-CG 3.36Å; F694-L697 PolarHBondContact O-N 2.84Å; F695-L697 VanDerWaalsContact C-N 3.35Å; L697-K699 PolarHBondContact O-N 3.15Å; L697-S700 PolarHBondContact O-N 3.1Å; L697-S700 VanDerWaalsContact O-N 3.09Å; L697-S700 PolarHBondContact O-OG 3.06Å; L697-L724 HydrophobicContact CB-CD1 4.06Å; L697-L724 HydrophobicContact CD1-CD1 4.27Å; L697-L724 HydrophobicContact CD2-CD1 4.04Å; L697-L724 HydrophobicContact CG-CD1 4.34Å; L697-L728 HydrophobicContact CB-CD2 3.87Å; L697-L728 HydrophobicContact CD1-CD2 4.37Å; L697-I731 HydrophobicContact CD1-CD1 3.97Å
698L95.1Very high92.8Very high22 Ų2245.1 Ų45.112%0.11524%0.244CC..Hα-helixtrans-54.7-39.4176.4-174.879.9000112F694 F695 S700 I701 E747 L751F694-L698 HydrophobicContact CE1-CB 4.33Å; F694-L698 HydrophobicContact CE1-CD1 4.38Å; F694-L698 HydrophobicContact CE1-CD2 4.03Å; F694-L698 HydrophobicContact CE1-CG 4.49Å; F694-L698 HydrophobicContact CZ-CD1 4.27Å; F694-L698 WeakPolarHBondContact O-CB 3.41Å; F694-L698 PolarHBondContact O-N 3.02Å; F695-L698 HydrophobicContact CD1-CD2 4.45Å; F695-L698 PolarHBondContact O-N 3.41Å; L698-S700 PolarHBondContact O-N 3.21Å; L698-I701 HydrophobicContact CD1-CD1 3.76Å; L698-I701 WeakPolarHBondContact O-CB 3.38Å; L698-I701 WeakPolarHBondContact O-CG1 3.46Å; L698-I701 PolarHBondContact O-N 2.94Å; L698-I701 VanDerWaalsContact O-N 3.11Å; L698-E747 HydrophobicContact CD1-CB 4.36Å; L698-E747 HydrophobicContact CD2-CB 3.6Å; L698-E747 HydrophobicContact CD2-CG 3.74Å; L698-L751 HydrophobicContact CD1-CD1 4.35Å; L698-L751 HydrophobicContact CD1-CD2 4.31Å
699K93.5Very high92.3Very high178 Ų17844 Ų4477%0.77424%0.235SC*.Hα-helixtrans-61.9-25.8-179.3-172.8179.4175.8-174.30113.6F695 P696 L697 P702F695-K699 PolarHBondContact O-N 3.43Å; F695-K699 VanDerWaalsContact O-N 3.08Å; P696-K699 WeakPolarHBondContact O-CB 3.45Å; P696-K699 PolarHBondContact O-N 2.83Å; L697-K699 PolarHBondContact O-N 3.15Å; K699-P702 WeakPolarHBondContact O-CD 3.43Å
700S91.3Very high91.6Very high10 Ų1049.1 Ų49.17%0.0726%0.257CS..Hα-helixtrans-77.9-17.3177.570.20000114.1F611 L697 L698 Q703 L704F611-S700 WeakPolarHBondContact CE1-OG 3.09Å; L697-S700 PolarHBondContact O-N 3.1Å; L697-S700 VanDerWaalsContact O-N 3.09Å; L697-S700 PolarHBondContact O-OG 3.06Å; L698-S700 PolarHBondContact O-N 3.21Å; S700-Q703 PolarHBondContact O-N 3.45Å; S700-L704 PolarHBondContact O-N 2.91Å; S700-L704 VanDerWaalsContact O-N 3.16Å
701I92.8Very high90.9Very high2 Ų251.5 Ų51.51%0.0128%0.282CS..Hα-helixtrans-56.5-47.6-173.4-68.8-175.7000113.3L698 Q703 L704 S705 L721 L724 L725 L728 L751 F755L698-I701 HydrophobicContact CD1-CD1 3.76Å; L698-I701 WeakPolarHBondContact O-CB 3.38Å; L698-I701 WeakPolarHBondContact O-CG1 3.46Å; L698-I701 PolarHBondContact O-N 2.94Å; L698-I701 VanDerWaalsContact O-N 3.11Å; I701-Q703 VanDerWaalsContact C-N 3.25Å; I701-Q703 PolarHBondContact O-N 3.43Å; I701-L704 PolarHBondContact O-N 3.5Å; I701-S705 WeakPolarHBondContact O-CB 3.24Å; I701-S705 PolarHBondContact O-N 3.39Å; I701-L721 HydrophobicContact CG2-CD1 4.34Å; I701-L724 HydrophobicContact CG1-CD2 4.04Å; I701-L725 HydrophobicContact CD1-CD2 4.09Å; I701-L728 HydrophobicContact CD1-CD1 3.62Å; I701-L728 HydrophobicContact CG1-CD1 4.36Å; I701-L751 HydrophobicContact CD1-CD1 3.76Å; I701-L751 HydrophobicContact CD1-CD2 3.94Å; I701-L751 HydrophobicContact CG2-CD2 4.25Å; I701-F755 HydrophobicContact CG2-CE2 3.63Å; I701-F755 HydrophobicContact CG2-CZ 3.4Å
702P89Confident89.9Confident77 Ų7755.9 Ų55.950%0.531%0.307SS..Hα-helixtrans-60.4-35.6-177.3-25.336000113.1K699 L706K699-P702 WeakPolarHBondContact O-CD 3.43Å; P702-L706 WeakPolarHBondContact O-CG 3.42Å; P702-L706 PolarHBondContact O-N 3.01Å
703Q87.6Confident89.3Confident127 Ų12759.2 Ų59.259%0.59332%0.321SS*.Hα-helixtrans-69-47.7177-176.4173.32.900111.1S700 I701 S705 L706 S707S700-Q703 PolarHBondContact O-N 3.45Å; I701-Q703 VanDerWaalsContact C-N 3.25Å; I701-Q703 PolarHBondContact O-N 3.43Å; Q703-S705 VanDerWaalsContact C-N 3.29Å; Q703-S705 PolarHBondContact O-N 2.92Å; Q703-L706 PolarHBondContact O-N 3.48Å; Q703-S707 PolarHBondContact O-N 3.32Å; Q703-S707 PolarHBondContact O-OG 2.78Å
704L88.5Confident88.7Confident11 Ų1160 Ų606%0.05833%0.327CS..Hα-helixtrans-63.6-35.4177.1-69.7174.4000112.4F611 S700 I701 L706 S707 S708 L720 L721 L724F611-L704 HydrophobicContact CE1-CD1 4.21Å; F611-L704 HydrophobicContact CZ-CD1 4.09Å; S700-L704 PolarHBondContact O-N 2.91Å; S700-L704 VanDerWaalsContact O-N 3.16Å; I701-L704 PolarHBondContact O-N 3.5Å; L704-L706 VanDerWaalsContact C-N 3.31Å; L704-L706 PolarHBondContact O-N 2.95Å; L704-S707 PolarHBondContact O-N 3.06Å; L704-S708 VanDerWaalsContact O-CB 3.24Å; L704-S708 WeakPolarHBondContact O-CB 3.46Å; L704-S708 PolarHBondContact O-N 2.94Å; L704-S708 PolarHBondContact O-OG 3.39Å; L704-L720 HydrophobicContact CD1-CD2 4.42Å; L704-L720 HydrophobicContact CD2-CD2 3.83Å; L704-L721 HydrophobicContact CB-CD1 4.17Å; L704-L724 HydrophobicContact CD1-CD2 3.57Å
705S88.7Confident88Confident23 Ų2363.4 Ų63.416%0.16134%0.343CS..Hα-helixtrans-63-34.5176.3179.90000113.3I701 Q703 S708 V709 F755I701-S705 WeakPolarHBondContact O-CB 3.24Å; I701-S705 PolarHBondContact O-N 3.39Å; Q703-S705 VanDerWaalsContact C-N 3.29Å; Q703-S705 PolarHBondContact O-N 2.92Å; S705-S708 PolarHBondContact O-OG 3.43Å; S705-S708 VanDerWaalsContact O-OG 3.12Å; S705-V709 WeakPolarHBondContact O-CG2 3.39Å; S705-F755 WeakPolarHBondContact OG-CE1 3.47Å
706L87.5Confident87.5Confident134 Ų13464.7 Ų64.770%0.70235%0.35SS*.Hα-helixtrans-74.3-43.2178.3-74.2166.3000110.3P702 Q703 L704 K710P702-L706 WeakPolarHBondContact O-CG 3.42Å; P702-L706 PolarHBondContact O-N 3.01Å; Q703-L706 PolarHBondContact O-N 3.48Å; L704-L706 VanDerWaalsContact C-N 3.31Å; L704-L706 PolarHBondContact O-N 2.95Å; L706-K710 PolarHBondContact O-N 3.26Å
707S86.6Confident87.3Confident41 Ų4164.3 Ų64.329%0.28735%0.345SS..Hα-helixtrans-69.5-33.1178.8-49.90000112.8Q703 L704 V709 K710 A714 D717Q703-S707 PolarHBondContact O-N 3.32Å; Q703-S707 PolarHBondContact O-OG 2.78Å; L704-S707 PolarHBondContact O-N 3.06Å; S707-V709 PolarHBondContact O-N 3.21Å; S707-K710 PolarHBondContact O-N 3.48Å; S707-K710 VanDerWaalsContact O-O 3.07Å; S707-A714 VanDerWaalsContact O-CA 3.25Å; S707-A714 WeakPolarHBondContact O-CA 3.49Å; S707-A714 VanDerWaalsContact O-CB 3.3Å; S707-A714 WeakPolarHBondContact O-CB 3.39Å; S707-D717 WeakPolarHBondContact CB-OD2 3.46Å
708S87.4Confident87Confident7 Ų764.3 Ų64.35%0.04935%0.346CS..THydrogen-bonded Turntrans-68.2-17.3-178.869.30000114.3L704 S705 H758L704-S708 VanDerWaalsContact O-CB 3.24Å; L704-S708 WeakPolarHBondContact O-CB 3.46Å; L704-S708 PolarHBondContact O-N 2.94Å; L704-S708 PolarHBondContact O-OG 3.39Å; S705-S708 PolarHBondContact O-OG 3.43Å; S705-S708 VanDerWaalsContact O-OG 3.12Å; S708-H758 PolarHBondContact OG-NE2 2.76Å
709V84Confident86.9Confident74 Ų7464.8 Ų64.845%0.44835%0.351SS..THydrogen-bonded Turntrans-101.7-32.3-179.1-178.60000111.6S705 S707S705-V709 WeakPolarHBondContact O-CG2 3.39Å; S707-V709 PolarHBondContact O-N 3.21Å
710K81.2Confident86.9Confident168 Ų16856.3 Ų56.373%0.7331%0.314SS*.SBendtrans-135.9134-174.2-65.5-175.7-179.8-179.50111.3L706 S707L706-K710 PolarHBondContact O-N 3.26Å; S707-K710 PolarHBondContact O-N 3.48Å; S707-K710 VanDerWaalsContact O-O 3.07Å
711G80.5Confident87Confident51 Ų5155.9 Ų55.953%0.52631%0.311SS..SBendtrans131.1167.317300000112.7F713 A714G711-F713 PolarHBondContact O-N 3.45Å; G711-A714 WeakPolarHBondContact O-CB 3.43Å; G711-A714 PolarHBondContact O-N 2.94Å
712P76.3Confident87.1Confident111 Ų11156.3 Ų56.372%0.72132%0.315SS*.THydrogen-bonded Turntrans-63.6-28.9-179.425.1-33.2000112.8
713F82.1Confident87.4Confident121 Ų12154.6 Ų54.653%0.53131%0.305SS..THydrogen-bonded Turntrans-107.716.8-178.9-55.2-68.6000113.6G711 H715 Q716 D717G711-F713 PolarHBondContact O-N 3.45Å; F713-H715 PolarHBondContact O-N 3.43Å; F713-Q716 WeakPolarHBondContact O-CB 3.49Å; F713-Q716 PolarHBondContact O-N 3.16Å; F713-D717 PolarHBondContact O-N 3.17Å
714A84.3Confident87.8Confident16 Ų1648.5 Ų48.513%0.13228%0.276CS..Hα-helixtrans-54.1-33.2-175.800000113.3S707 G711 D717 A718S707-A714 VanDerWaalsContact O-CA 3.25Å; S707-A714 WeakPolarHBondContact O-CA 3.49Å; S707-A714 VanDerWaalsContact O-CB 3.3Å; S707-A714 WeakPolarHBondContact O-CB 3.39Å; G711-A714 WeakPolarHBondContact O-CB 3.43Å; G711-A714 PolarHBondContact O-N 2.94Å; A714-D717 PolarHBondContact O-N 2.8Å; A714-A718 VanDerWaalsContact O-CB 3.31Å; A714-A718 WeakPolarHBondContact O-CB 3.15Å; A714-A718 PolarHBondContact O-N 2.66Å
715H83Confident88.2Confident72 Ų7248 Ų4833%0.33327%0.274SS..Hα-helixtrans-64.8-37.6176.968-89000113.3G388 F713 S719G388-H715 VanDerWaalsContact CA-CD2 3.46Å; G388-H715 WeakPolarHBondContact CA-CD2 3.4Å; G388-H715 VanDerWaalsContact O-CB 3.31Å; G388-H715 WeakPolarHBondContact O-CB 3.34Å; G388-H715 PolarHBondContact O-CD2 3.32Å; F713-H715 PolarHBondContact O-N 3.43Å; H715-S719 PolarHBondContact O-N 2.81Å; H715-S719 VanDerWaalsContact O-N 3.12Å
716Q86.8Confident88.6Confident73 Ų7348.4 Ų48.434%0.34128%0.278SS..Hα-helixtrans-71.1-42.9175.4-54.8-173-11.100110.8I618 F713 A718 S719 L720I618-Q716 HydrophobicContact CG1-CB 4.47Å; F713-Q716 WeakPolarHBondContact O-CB 3.49Å; F713-Q716 PolarHBondContact O-N 3.16Å; Q716-A718 VanDerWaalsContact C-N 3.32Å; Q716-A718 PolarHBondContact O-N 3.04Å; Q716-S719 WeakPolarHBondContact O-CB 3.38Å; Q716-S719 PolarHBondContact O-N 2.78Å; Q716-L720 PolarHBondContact O-N 3.13Å
717D90.2Very high89Confident31 Ų3142.7 Ų42.717%0.16625%0.249CC..Hα-helixtrans-65.3-35.4177-72.3-44.3000111.8S707 F713 A714 L720 L721S707-D717 WeakPolarHBondContact CB-OD2 3.46Å; F713-D717 PolarHBondContact O-N 3.17Å; A714-D717 PolarHBondContact O-N 2.8Å; D717-L720 PolarHBondContact O-N 3.31Å; D717-L721 VanDerWaalsContact O-CB 3.22Å; D717-L721 WeakPolarHBondContact O-CB 3.24Å; D717-L721 PolarHBondContact O-N 3.3Å
718A91Very high89.5Confident2 Ų240.7 Ų40.72%0.01724%0.236CC..Hα-helixtrans-65.3-40.817300000112.1A714 Q716 L721 A722 E760 V763A714-A718 VanDerWaalsContact O-CB 3.31Å; A714-A718 WeakPolarHBondContact O-CB 3.15Å; A714-A718 PolarHBondContact O-N 2.66Å; Q716-A718 VanDerWaalsContact C-N 3.32Å; Q716-A718 PolarHBondContact O-N 3.04Å; A718-L721 PolarHBondContact O-N 3.07Å; A718-A722 WeakPolarHBondContact O-CB 3.45Å; A718-A722 PolarHBondContact O-N 3.08Å; A718-E760 HydrophobicContact CB-CB 4.13Å; A718-E760 HydrophobicContact CB-CG 4.02Å; A718-V763 HydrophobicContact CB-CG2 4.24Å; A718-V763 WeakPolarHBondContact O-CG2 3.3Å
719S91.6Very high90Very high32 Ų3240.4 Ų40.422%0.22423%0.233CC..Hα-helixtrans-61.1-45.3172.9-172.50000111.6H715 Q716 A722 S723H715-S719 PolarHBondContact O-N 2.81Å; H715-S719 VanDerWaalsContact O-N 3.12Å; Q716-S719 WeakPolarHBondContact O-CB 3.38Å; Q716-S719 PolarHBondContact O-N 2.78Å; S719-A722 PolarHBondContact O-N 3.09Å; S719-S723 WeakPolarHBondContact O-CB 3.21Å; S719-S723 PolarHBondContact O-N 3.1Å; S719-S723 PolarHBondContact O-OG 3.05Å
720L93.6Very high90.5Very high0 Ų038.9 Ų38.90%023%0.225CC..Hα-helixtrans-61.3-46.4176.8-170.156.5000111.8F611 I618 R621 M622 I625 L704 Q716 D717 S723 L724F611-L720 HydrophobicContact CE2-CD1 4.13Å; F611-L720 HydrophobicContact CE2-CD2 4.44Å; F611-L720 HydrophobicContact CZ-CD1 4.42Å; F611-L720 HydrophobicContact CZ-CD2 4.3Å; F611-L720 HydrophobicContact CZ-CG 4.38Å; I618-L720 HydrophobicContact CD1-CB 3.61Å; I618-L720 HydrophobicContact CD1-CD1 3.87Å; I618-L720 HydrophobicContact CD1-CD2 3.8Å; I618-L720 HydrophobicContact CD1-CG 3.95Å; R621-L720 HydrophobicContact CB-CD1 3.93Å; R621-L720 HydrophobicContact CB-CD2 4.11Å; M622-L720 VanDerWaalsContact CE-CA 3.46Å; M622-L720 HydrophobicContact CE-CB 4.21Å; M622-L720 HydrophobicContact CE-CD1 4.05Å; M622-L720 HydrophobicContact CG-CD1 4.09Å; M622-L720 HydrophobicContact SD-CD1 3.65Å; I625-L720 HydrophobicContact CD1-CD1 3.56Å; I625-L720 HydrophobicContact CD1-CG 4.39Å; L704-L720 HydrophobicContact CD1-CD2 4.42Å; L704-L720 HydrophobicContact CD2-CD2 3.83Å; Q716-L720 PolarHBondContact O-N 3.13Å; D717-L720 PolarHBondContact O-N 3.31Å; L720-S723 PolarHBondContact O-N 2.67Å; L720-L724 VanDerWaalsContact O-CB 3.32Å; L720-L724 WeakPolarHBondContact O-CB 3.33Å; L720-L724 PolarHBondContact O-N 3.5Å
721L94.7Very high91.3Very high0 Ų030.9 Ų30.90%019%0.19CC..Hα-helixtrans-62.2-44.9179.3178.262.7000111.3I701 L704 D717 A718 S723 L724 L725 F755 V763I701-L721 HydrophobicContact CG2-CD1 4.34Å; L704-L721 HydrophobicContact CB-CD1 4.17Å; D717-L721 VanDerWaalsContact O-CB 3.22Å; D717-L721 WeakPolarHBondContact O-CB 3.24Å; D717-L721 PolarHBondContact O-N 3.3Å; A718-L721 PolarHBondContact O-N 3.07Å; L721-S723 VanDerWaalsContact C-N 3.32Å; L721-S723 PolarHBondContact O-N 2.97Å; L721-L724 PolarHBondContact O-N 2.86Å; L721-L725 HydrophobicContact CD1-CD1 4.38Å; L721-L725 HydrophobicContact CD1-CG 4.27Å; L721-L725 HydrophobicContact CG-CD1 4.23Å; L721-L725 WeakPolarHBondContact O-CB 3.28Å; L721-L725 VanDerWaalsContact O-CG 3.27Å; L721-L725 WeakPolarHBondContact O-CG 3.47Å; L721-L725 PolarHBondContact O-N 2.96Å; L721-F755 HydrophobicContact CD1-CE1 4.42Å; L721-F755 HydrophobicContact CD1-CZ 4.09Å; L721-F755 HydrophobicContact CD2-CD1 4.22Å; L721-F755 HydrophobicContact CD2-CE1 3.65Å; L721-F755 HydrophobicContact CD2-CZ 4.16Å; L721-V763 HydrophobicContact CD2-CG1 3.96Å; L721-V763 HydrophobicContact CD2-CG2 4.26Å; L721-V763 HydrophobicContact CG-CG1 4.31Å; L721-V763 HydrophobicContact CG-CG2 4.48Å
722A94.9Very high92.1Very high11 Ų1128.5 Ų28.59%0.09117%0.165CC..Hα-helixtrans-59.6-44.717600000111.5A718 S719 L725 A726 A762 V763 A766A718-A722 WeakPolarHBondContact O-CB 3.45Å; A718-A722 PolarHBondContact O-N 3.08Å; S719-A722 PolarHBondContact O-N 3.09Å; A722-L725 PolarHBondContact O-N 3.28Å; A722-A726 WeakPolarHBondContact O-CB 3.39Å; A722-A726 PolarHBondContact O-N 3.12Å; A722-A762 HydrophobicContact CB-CB 4.11Å; A722-V763 HydrophobicContact CB-CG2 4.16Å; A722-A766 HydrophobicContact CB-CB 4.17Å; A722-A766 VanDerWaalsContact O-CB 3.28Å; A722-A766 WeakPolarHBondContact O-CB 3.3Å
723S94.9Very high92.9Very high41 Ų4123.3 Ų23.329%0.28713%0.132SC..Hα-helixtrans-65.3-40.5178.1-57.60000112.2S719 L720 L721 S727S719-S723 WeakPolarHBondContact O-CB 3.21Å; S719-S723 PolarHBondContact O-N 3.1Å; S719-S723 PolarHBondContact O-OG 3.05Å; L720-S723 PolarHBondContact O-N 2.67Å; L721-S723 VanDerWaalsContact C-N 3.32Å; L721-S723 PolarHBondContact O-N 2.97Å; S723-S727 WeakPolarHBondContact O-CB 3.38Å; S723-S727 PolarHBondContact O-N 3.21Å; S723-S727 PolarHBondContact O-OG 3.08Å
724L96.6Very high93.5Very high0 Ų017.6 Ų17.60%011%0.106CC..Hα-helixtrans-63.3-46.6175.3-179.762.7000111.5F611 I625 L697 I701 L704 L720 L721 S727 L728F611-L724 HydrophobicContact CE1-CD1 4.35Å; F611-L724 HydrophobicContact CE1-CD2 4.15Å; F611-L724 HydrophobicContact CZ-CD1 4.27Å; F611-L724 HydrophobicContact CZ-CD2 4.21Å; I625-L724 HydrophobicContact CD1-CB 3.85Å; I625-L724 HydrophobicContact CD1-CD1 3.99Å; I625-L724 HydrophobicContact CG1-CD1 4.12Å; L697-L724 HydrophobicContact CB-CD1 4.06Å; L697-L724 HydrophobicContact CD1-CD1 4.27Å; L697-L724 HydrophobicContact CD2-CD1 4.04Å; L697-L724 HydrophobicContact CG-CD1 4.34Å; I701-L724 HydrophobicContact CG1-CD2 4.04Å; L704-L724 HydrophobicContact CD1-CD2 3.57Å; L720-L724 VanDerWaalsContact O-CB 3.32Å; L720-L724 WeakPolarHBondContact O-CB 3.33Å; L720-L724 PolarHBondContact O-N 3.5Å; L721-L724 PolarHBondContact O-N 2.86Å; L724-S727 WeakPolarHBondContact O-CB 3.49Å; L724-S727 PolarHBondContact O-N 3.19Å; L724-L728 HydrophobicContact CD1-CD1 4.47Å; L724-L728 HydrophobicContact CD1-CG 4.41Å; L724-L728 HydrophobicContact CG-CD1 4.17Å; L724-L728 VanDerWaalsContact O-CG 3.31Å; L724-L728 WeakPolarHBondContact O-CG 3.21Å; L724-L728 PolarHBondContact O-N 2.9Å
725L97.2Very high94Very high0 Ų016.8 Ų16.80%010%0.1CC..Hα-helixtrans-59.8-52.2177.5-73.5173.6000110.9I701 L721 A722 S727 L728 G729 L751 F755 V763 A766 V770I701-L725 HydrophobicContact CD1-CD2 4.09Å; L721-L725 HydrophobicContact CD1-CD1 4.38Å; L721-L725 HydrophobicContact CD1-CG 4.27Å; L721-L725 HydrophobicContact CG-CD1 4.23Å; L721-L725 WeakPolarHBondContact O-CB 3.28Å; L721-L725 VanDerWaalsContact O-CG 3.27Å; L721-L725 WeakPolarHBondContact O-CG 3.47Å; L721-L725 PolarHBondContact O-N 2.96Å; A722-L725 PolarHBondContact O-N 3.28Å; L725-S727 PolarHBondContact O-N 3.5Å; L725-L728 PolarHBondContact O-N 2.88Å; L725-L728 VanDerWaalsContact O-N 3.12Å; L725-G729 PolarHBondContact O-N 3.46Å; L725-L751 HydrophobicContact CD2-CD1 3.63Å; L725-F755 HydrophobicContact CD1-CD2 4.11Å; L725-F755 HydrophobicContact CD1-CE2 4.36Å; L725-F755 HydrophobicContact CD1-CG 4.47Å; L725-F755 HydrophobicContact CD2-CD2 4.34Å; L725-F755 HydrophobicContact CD2-CE2 4.13Å; L725-V763 HydrophobicContact CD1-CG1 3.91Å; L725-A766 HydrophobicContact CB-CB 3.81Å; L725-A766 HydrophobicContact CD1-CB 4.32Å; L725-V770 HydrophobicContact CB-CG2 4.2Å; L725-V770 WeakPolarHBondContact O-CG2 3.32Å
726A95.9Very high94.3Very high31 Ų3114.4 Ų14.426%0.2569%0.091SC..Hα-helixtrans-57.6-38.8177.500000112.2A722 G729 T730A722-A726 WeakPolarHBondContact O-CB 3.39Å; A722-A726 PolarHBondContact O-N 3.12Å; A726-G729 PolarHBondContact O-N 3.42Å; A726-T730 PolarHBondContact O-N 3.01Å; A726-T730 PolarHBondContact O-OG1 3.2Å
727S96.4Very high94.2Very high14 Ų1417.4 Ų17.410%0.09811%0.109CC..Hα-helixtrans-66.5-42.1176-66.90000112.7I625 T629 S723 L724 L725 G729 T730 I731I625-S727 VanDerWaalsContact CG2-CB 3.47Å; I625-S727 WeakPolarHBondContact CG2-OG 3.31Å; T629-S727 WeakPolarHBondContact OG1-CB 3.43Å; T629-S727 PolarHBondContact OG1-OG 3.47Å; S723-S727 WeakPolarHBondContact O-CB 3.38Å; S723-S727 PolarHBondContact O-N 3.21Å; S723-S727 PolarHBondContact O-OG 3.08Å; L724-S727 WeakPolarHBondContact O-CB 3.49Å; L724-S727 PolarHBondContact O-N 3.19Å; L725-S727 PolarHBondContact O-N 3.5Å; S727-G729 VanDerWaalsContact C-N 3.31Å; S727-G729 PolarHBondContact O-N 3.3Å; S727-T730 PolarHBondContact O-N 2.73Å; S727-I731 WeakPolarHBondContact O-CB 3.18Å; S727-I731 VanDerWaalsContact O-CG1 3.26Å; S727-I731 WeakPolarHBondContact O-CG1 3.4Å; S727-I731 PolarHBondContact O-N 3.08Å
728L97.8Very high94.3Very high0 Ų016.3 Ų16.30%010%0.104CC..Hα-helixtrans-62.7-37.9174-73.8170.2000112F694 L697 I701 L724 L725 Y732 L748F694-L728 HydrophobicContact CD2-CD2 3.58Å; F694-L728 HydrophobicContact CE2-CB 4.19Å; F694-L728 HydrophobicContact CE2-CD2 3.78Å; F694-L728 HydrophobicContact CG-CD2 4.24Å; L697-L728 HydrophobicContact CB-CD2 3.87Å; L697-L728 HydrophobicContact CD1-CD2 4.37Å; I701-L728 HydrophobicContact CD1-CD1 3.62Å; I701-L728 HydrophobicContact CG1-CD1 4.36Å; L724-L728 HydrophobicContact CD1-CD1 4.47Å; L724-L728 HydrophobicContact CD1-CG 4.41Å; L724-L728 HydrophobicContact CG-CD1 4.17Å; L724-L728 VanDerWaalsContact O-CG 3.31Å; L724-L728 WeakPolarHBondContact O-CG 3.21Å; L724-L728 PolarHBondContact O-N 2.9Å; L725-L728 PolarHBondContact O-N 2.88Å; L725-L728 VanDerWaalsContact O-N 3.12Å; L728-Y732 VanDerWaalsContact O-CB 3.27Å; L728-Y732 WeakPolarHBondContact O-CB 3.46Å; L728-Y732 PolarHBondContact O-N 3.47Å; L728-L748 HydrophobicContact CB-CD2 4.15Å
729G96.4Very high94.3Very high0 Ų022.1 Ų22.10%014%0.141CC..Hα-helixtrans-60.6-45.7171.600000111.9L725 A726 S727 Y732 A733 T773L725-G729 PolarHBondContact O-N 3.46Å; A726-G729 PolarHBondContact O-N 3.42Å; S727-G729 VanDerWaalsContact C-N 3.31Å; S727-G729 PolarHBondContact O-N 3.3Å; G729-Y732 WeakPolarHBondContact O-CB 3.48Å; G729-Y732 PolarHBondContact O-N 2.85Å; G729-A733 PolarHBondContact O-N 3.48Å; G729-T773 VanDerWaalsContact O-CG2 3.31Å; G729-T773 WeakPolarHBondContact O-CG2 3.35Å
730T95.8Very high94.4Very high43 Ų4322.6 Ų22.626%0.26414%0.143SC..Hα-helixtrans-65.8-45.4177.8-54.10000112T629 L642 A726 S727 Y732 A733 C734T629-T730 HydrophobicContact CG2-CG2 3.65Å; L642-T730 HydrophobicContact CD1-CG2 4.4Å; A726-T730 PolarHBondContact O-N 3.01Å; A726-T730 PolarHBondContact O-OG1 3.2Å; S727-T730 PolarHBondContact O-N 2.73Å; T730-Y732 PolarHBondContact O-N 3.12Å; T730-A733 WeakPolarHBondContact O-CB 3.33Å; T730-A733 PolarHBondContact O-N 3.39Å; T730-A733 VanDerWaalsContact O-N 3.11Å; T730-C734 PolarHBondContact O-N 3.16Å; T730-C734 PolarHBondContact O-SG 2.78Å; T730-C734 VanDerWaalsContact O-SG 3.34Å
731I97.1Very high94.5Very high0 Ų022.6 Ų22.60%014%0.143CC..Hα-helixtrans-59-37.8174.8-72167.1000110.8A632 F686 F693 F694 L697 S727 C734 S735 M744A632-I731 HydrophobicContact CB-CG1 4.08Å; F686-I731 HydrophobicContact CE1-CG2 4.09Å; F686-I731 HydrophobicContact CZ-CG2 3.91Å; F693-I731 HydrophobicContact CB-CG2 4.33Å; F694-I731 HydrophobicContact CB-CG2 4.18Å; F694-I731 HydrophobicContact CD2-CG2 4.25Å; L697-I731 HydrophobicContact CD1-CD1 3.97Å; S727-I731 WeakPolarHBondContact O-CB 3.18Å; S727-I731 VanDerWaalsContact O-CG1 3.26Å; S727-I731 WeakPolarHBondContact O-CG1 3.4Å; S727-I731 PolarHBondContact O-N 3.08Å; I731-C734 PolarHBondContact O-N 3.25Å; I731-S735 PolarHBondContact O-N 3.44Å; I731-S735 VanDerWaalsContact O-N 3.1Å; I731-M744 HydrophobicContact CG2-CE 4.29Å
732Y96.8Very high94.4Very high0 Ų024.2 Ų24.20%015%0.153CC..Hα-helixtrans-64.7-44.6173.4173.9-90.5000112.6L728 G729 T730 C734 S735 Q741 M744 A745 L748 T773 V774 T777 T778L728-Y732 VanDerWaalsContact O-CB 3.27Å; L728-Y732 WeakPolarHBondContact O-CB 3.46Å; L728-Y732 PolarHBondContact O-N 3.47Å; G729-Y732 WeakPolarHBondContact O-CB 3.48Å; G729-Y732 PolarHBondContact O-N 2.85Å; T730-Y732 PolarHBondContact O-N 3.12Å; Y732-C734 VanDerWaalsContact C-N 3.26Å; Y732-C734 PolarHBondContact O-N 3.03Å; Y732-S735 PolarHBondContact O-N 3Å; Y732-S735 PolarHBondContact O-OG 3.39Å; Y732-Q741 HydrophobicContact CD2-CG 4.45Å; Y732-Q741 HydrophobicContact CE2-CG 3.67Å; Y732-M744 HydrophobicContact CD2-CB 3.74Å; Y732-M744 HydrophobicContact CD2-CE 4.19Å; Y732-M744 HydrophobicContact CE2-CB 4.14Å; Y732-A745 HydrophobicContact CE2-CB 3.66Å; Y732-L748 HydrophobicContact CD1-CD1 4.39Å; Y732-L748 HydrophobicContact CD2-CD1 3.89Å; Y732-L748 HydrophobicContact CG-CD1 3.69Å; Y732-T773 HydrophobicContact CD1-CG2 4.39Å; Y732-V774 HydrophobicContact CD1-CG2 4.04Å; Y732-V774 HydrophobicContact CE1-CB 4.28Å; Y732-V774 HydrophobicContact CE1-CG2 4Å; Y732-V774 HydrophobicContact CG-CG2 4.45Å; Y732-T777 VanDerWaalsContact CE1-OG1 3.31Å; Y732-T777 WeakPolarHBondContact CE1-OG1 3.3Å; Y732-T778 PolarHBondContact OH-OG1 3.36Å
733A94.7Very high94.4Very high3 Ų331 Ų313%0.02518%0.176CC..Hα-helixtrans-60.9-36.7174.800000112.2L642 Q645 G729 T730 S735 T773 T777L642-A733 HydrophobicContact CD1-CB 4Å; L642-A733 HydrophobicContact CG-CB 4.37Å; Q645-A733 PolarHBondContact NE2-O 3.15Å; G729-A733 PolarHBondContact O-N 3.48Å; T730-A733 WeakPolarHBondContact O-CB 3.33Å; T730-A733 PolarHBondContact O-N 3.39Å; T730-A733 VanDerWaalsContact O-N 3.11Å; A733-S735 VanDerWaalsContact C-N 3.28Å; A733-S735 PolarHBondContact O-N 2.82Å; A733-T773 HydrophobicContact CB-CG2 3.77Å; A733-T777 HydrophobicContact CB-CG2 4.06Å
734C94.6Very high94.4Very high0 Ų029 Ų290%016%0.162CC..Hα-helixtrans-67.9-23.3173.4-66.20000113.2A632 Y636 L642 N684 F686 T730 I731 Y732 S736A632-C734 HydrophobicContact CB-CB 4.13Å; Y636-C734 WeakPolarHBondContact CD2-O 3.35Å; L642-C734 WeakPolarHBondContact CD1-SG 3.36Å; N684-C734 PolarHBondContact ND2-O 2.83Å; N684-C734 PolarHBondContact OD1-O 2.86Å; F686-C734 HydrophobicContact CD1-CB 3.65Å; F686-C734 WeakPolarHBondContact CD1-O 3.21Å; F686-C734 HydrophobicContact CE1-CB 3.93Å; F686-C734 HydrophobicContact CG-CB 4.34Å; T730-C734 PolarHBondContact O-N 3.16Å; T730-C734 PolarHBondContact O-SG 2.78Å; T730-C734 VanDerWaalsContact O-SG 3.34Å; I731-C734 PolarHBondContact O-N 3.25Å; Y732-C734 VanDerWaalsContact C-N 3.26Å; Y732-C734 PolarHBondContact O-N 3.03Å; C734-S736 PolarHBondContact O-N 3.26Å
735S93.8Very high94.3Very high0 Ų029 Ų290%016%0.162CC..THydrogen-bonded Turntrans-84.315.8-175.977.90000114.4A690 I731 Y732 A733 L737 S738 M744A690-S735 VanDerWaalsContact CB-CB 3.5Å; I731-S735 PolarHBondContact O-N 3.44Å; I731-S735 VanDerWaalsContact O-N 3.1Å; Y732-S735 PolarHBondContact O-N 3Å; Y732-S735 PolarHBondContact O-OG 3.39Å; A733-S735 VanDerWaalsContact C-N 3.28Å; A733-S735 PolarHBondContact O-N 2.82Å; S735-L737 PolarHBondContact O-N 2.94Å; S735-S738 WeakPolarHBondContact O-CB 3.04Å; S735-S738 PolarHBondContact O-N 2.9Å; S735-M744 VanDerWaalsContact OG-CE 3.31Å; S735-M744 WeakPolarHBondContact OG-CE 3.45Å; S735-M744 PolarHBondContact OG-SD 3.26Å; S735-M744 VanDerWaalsContact OG-SD 3.32Å
736S89.2Confident94.1Very high21 Ų2132 Ų3215%0.14718%0.178CC..THydrogen-bonded Turntrans-48128.6176.5-174.30000112.2N684 C734 S738N684-S736 PolarHBondContact ND2-O 2.81Å; C734-S736 PolarHBondContact O-N 3.26Å; S736-S738 PolarHBondContact O-N 3.48Å
737L85.9Confident94Very high137 Ų13733.2 Ų33.272%0.71718%0.179SC*.THydrogen-bonded Turntrans67.812.8-177-52.4169.9000115S735S735-L737 PolarHBondContact O-N 2.94Å
738S92.3Very high93.9Very high8 Ų832.6 Ų32.66%0.05617%0.174CC..  trans-73.5141.4172-175.40000111.3A687 S735 S736 V740 Q741A687-S738 WeakPolarHBondContact O-CB 3.5Å; A687-S738 PolarHBondContact O-OG 3.47Å; S735-S738 WeakPolarHBondContact O-CB 3.04Å; S735-S738 PolarHBondContact O-N 2.9Å; S736-S738 PolarHBondContact O-N 3.48Å; S738-V740 PolarHBondContact O-N 3.3Å; S738-V740 VanDerWaalsContact O-N 3.09Å; S738-V740 WeakPolarHBondContact OG-CG2 3.42Å; S738-Q741 VanDerWaalsContact O-CB 3.28Å; S738-Q741 WeakPolarHBondContact O-CB 3.27Å; S738-Q741 PolarHBondContact O-N 3.2Å
739P90.8Very high93.7Very high123 Ų12332.7 Ų32.780%0.79917%0.174SC*.THydrogen-bonded Turntrans-60.8-21.7176.824.8-35.6000113.6
740V93.8Very high93.4Very high42 Ų4236 Ų3626%0.25519%0.192SC..THydrogen-bonded Turntrans-94.8-3.3178.9-630000113.6A690 F695 S738 T742 R743 M744A690-V740 HydrophobicContact CB-CG2 4.28Å; F695-V740 HydrophobicContact CE2-CB 4.01Å; F695-V740 HydrophobicContact CE2-CG1 4.25Å; F695-V740 HydrophobicContact CE2-CG2 4.25Å; F695-V740 HydrophobicContact CZ-CB 4.17Å; S738-V740 PolarHBondContact O-N 3.3Å; S738-V740 VanDerWaalsContact O-N 3.09Å; S738-V740 WeakPolarHBondContact OG-CG2 3.42Å; V740-T742 VanDerWaalsContact C-N 3.34Å; V740-T742 PolarHBondContact O-N 2.92Å; V740-R743 WeakPolarHBondContact O-CB 3.3Å; V740-R743 PolarHBondContact O-N 2.87Å; V740-M744 HydrophobicContact CG2-CG 4.43Å; V740-M744 HydrophobicContact CG2-SD 3.94Å; V740-M744 WeakPolarHBondContact O-CG 3.5Å; V740-M744 PolarHBondContact O-N 2.92Å
741Q94.2Very high93.3Very high0 Ų034.4 Ų34.40%018%0.182CC..Hα-helixtrans-58.2-42.6-173.3-170.7178.817.200112.5Y732 S738 R743 M744 A745 I782Y732-Q741 HydrophobicContact CD2-CG 4.45Å; Y732-Q741 HydrophobicContact CE2-CG 3.67Å; S738-Q741 VanDerWaalsContact O-CB 3.28Å; S738-Q741 WeakPolarHBondContact O-CB 3.27Å; S738-Q741 PolarHBondContact O-N 3.2Å; Q741-R743 VanDerWaalsContact C-N 3.28Å; Q741-R743 PolarHBondContact O-N 3.17Å; Q741-M744 WeakPolarHBondContact O-CB 3.29Å; Q741-M744 PolarHBondContact O-N 3.11Å; Q741-M744 VanDerWaalsContact O-N 3.17Å; Q741-A745 PolarHBondContact O-N 3.05Å; Q741-I782 HydrophobicContact CB-CD1 4.19Å; Q741-I782 HydrophobicContact CG-CD1 4.27Å
742T92.8Very high93Very high35 Ų3534.4 Ų34.422%0.21518%0.182CC..Hα-helixtrans-59.4-39.8177.2-51.20000112.1V740 D746 I782 K786V740-T742 VanDerWaalsContact C-N 3.34Å; V740-T742 PolarHBondContact O-N 2.92Å; T742-D746 PolarHBondContact O-N 3.42Å; T742-I782 HydrophobicContact CG2-CG2 4.05Å; T742-I782 WeakPolarHBondContact OG1-CG2 3.29Å; T742-K786 HydrophobicContact CG2-CD 3.95Å
743R94.4Very high92.6Very high152 Ų15236 Ų3657%0.57419%0.192SC*.Hα-helixtrans-69.3-42.5176.3-176179.9176.7-178-0.1110.9F695 V740 Q741 A745 D746 E747F695-R743 HydrophobicContact CE1-CG 4.03Å; F695-R743 HydrophobicContact CZ-CB 4.31Å; F695-R743 HydrophobicContact CZ-CG 4.03Å; V740-R743 WeakPolarHBondContact O-CB 3.3Å; V740-R743 PolarHBondContact O-N 2.87Å; Q741-R743 VanDerWaalsContact C-N 3.28Å; Q741-R743 PolarHBondContact O-N 3.17Å; R743-A745 VanDerWaalsContact C-N 3.33Å; R743-A745 PolarHBondContact O-N 2.86Å; R743-D746 PolarHBondContact O-N 3.03Å; R743-E747 WeakPolarHBondContact O-CG 3.41Å; R743-E747 PolarHBondContact O-N 2.99Å; R743-E747 VanDerWaalsContact O-N 3.08Å
744M95.9Very high92.3Very high0 Ų040.4 Ų40.40%022%0.215CC..Hα-helixtrans-58.5-45.7176.8-62.4166.367.700111.4A690 F694 F695 I731 Y732 S735 V740 Q741 D746 E747 L748A690-M744 HydrophobicContact CB-SD 4.23Å; F694-M744 HydrophobicContact CB-CE 3.72Å; F694-M744 HydrophobicContact CB-SD 4.49Å; F694-M744 HydrophobicContact CD1-CB 4.14Å; F694-M744 HydrophobicContact CD1-CE 4.21Å; F694-M744 HydrophobicContact CD1-CG 3.63Å; F694-M744 HydrophobicContact CD2-CE 3.34Å; F694-M744 HydrophobicContact CD2-CG 4.36Å; F694-M744 HydrophobicContact CE1-CB 3.82Å; F694-M744 HydrophobicContact CE1-CG 3.82Å; F694-M744 HydrophobicContact CE2-CB 4.23Å; F694-M744 HydrophobicContact CE2-CE 3.96Å; F694-M744 HydrophobicContact CG-CB 4.49Å; F694-M744 HydrophobicContact CG-CE 3.49Å; F694-M744 VanDerWaalsContact CG-CE 3.49Å; F694-M744 HydrophobicContact CG-CG 3.93Å; F694-M744 HydrophobicContact CG-SD 4.35Å; F694-M744 HydrophobicContact CZ-CB 3.88Å; F694-M744 HydrophobicContact CZ-CG 4.28Å; F695-M744 HydrophobicContact CE1-CG 4.38Å; F695-M744 HydrophobicContact CZ-CG 3.98Å; I731-M744 HydrophobicContact CG2-CE 4.29Å; Y732-M744 HydrophobicContact CD2-CB 3.74Å; Y732-M744 HydrophobicContact CD2-CE 4.19Å; Y732-M744 HydrophobicContact CE2-CB 4.14Å; S735-M744 VanDerWaalsContact OG-CE 3.31Å; S735-M744 WeakPolarHBondContact OG-CE 3.45Å; S735-M744 PolarHBondContact OG-SD 3.26Å; S735-M744 VanDerWaalsContact OG-SD 3.32Å; V740-M744 HydrophobicContact CG2-CG 4.43Å; V740-M744 HydrophobicContact CG2-SD 3.94Å; V740-M744 WeakPolarHBondContact O-CG 3.5Å; V740-M744 PolarHBondContact O-N 2.92Å; Q741-M744 WeakPolarHBondContact O-CB 3.29Å; Q741-M744 PolarHBondContact O-N 3.11Å; Q741-M744 VanDerWaalsContact O-N 3.17Å; M744-D746 VanDerWaalsContact C-N 3.33Å; M744-D746 PolarHBondContact O-N 3.04Å; M744-E747 PolarHBondContact O-N 3.17Å; M744-L748 WeakPolarHBondContact O-CG 3.42Å; M744-L748 PolarHBondContact O-N 3.5Å
745A93.8Very high92.2Very high0 Ų040.4 Ų40.40%022%0.215CC..Hα-helixtrans-59-44.517700000111.8Y732 Q741 R743 E747 L748 I749 V774 L789Y732-A745 HydrophobicContact CE2-CB 3.66Å; Q741-A745 PolarHBondContact O-N 3.05Å; R743-A745 VanDerWaalsContact C-N 3.33Å; R743-A745 PolarHBondContact O-N 2.86Å; A745-E747 PolarHBondContact O-N 3.05Å; A745-L748 PolarHBondContact O-N 2.97Å; A745-I749 WeakPolarHBondContact O-CG1 3.09Å; A745-I749 PolarHBondContact O-N 3.05Å; A745-V774 HydrophobicContact CB-CG1 3.99Å; A745-L789 HydrophobicContact CB-CD1 4.46Å; A745-L789 HydrophobicContact CB-CD2 3.81Å
746D92.9Very high91.9Very high62 Ų6241.7 Ų41.733%0.33222%0.221SC..Hα-helixtrans-60.4-45.4180-165.548.8000111.9T742 R743 M744 I749 N750 L789 K793T742-D746 PolarHBondContact O-N 3.42Å; R743-D746 PolarHBondContact O-N 3.03Å; M744-D746 VanDerWaalsContact C-N 3.33Å; M744-D746 PolarHBondContact O-N 3.04Å; D746-I749 PolarHBondContact O-N 3.17Å; D746-N750 PolarHBondContact O-N 2.8Å; D746-N750 PolarHBondContact O-ND2 2.88Å; D746-L789 HydrophobicContact CB-CD1 3.83Å; D746-K793 PolarHBondContact O-NZ 3.37Å; D746-K793 IonicContact OD1-NZ 3.5Å; D746-K793 PolarHBondContact OD1-NZ 3.21Å
747E94.1Very high91.8Very high58 Ų5849.1 Ų49.127%0.27125%0.246SC..Hα-helixtrans-64.2-41.8176.3-64.1-65.3175.800112.5F694 L698 R743 M744 A745 I749 N750 L751F694-E747 HydrophobicContact CE1-CB 4.44Å; L698-E747 HydrophobicContact CD1-CB 4.36Å; L698-E747 HydrophobicContact CD2-CB 3.6Å; L698-E747 HydrophobicContact CD2-CG 3.74Å; R743-E747 WeakPolarHBondContact O-CG 3.41Å; R743-E747 PolarHBondContact O-N 2.99Å; R743-E747 VanDerWaalsContact O-N 3.08Å; M744-E747 PolarHBondContact O-N 3.17Å; A745-E747 PolarHBondContact O-N 3.05Å; E747-I749 PolarHBondContact O-N 3.09Å; E747-N750 WeakPolarHBondContact O-CB 3.3Å; E747-N750 PolarHBondContact O-N 3.2Å; E747-N750 VanDerWaalsContact O-N 3.15Å; E747-L751 PolarHBondContact O-N 2.7Å
748L95.1Very high92.1Very high0 Ų043 Ų430%021%0.213CC..Hα-helixtrans-63.7-41.1177.4-71.8178.9000112.2F694 L728 Y732 M744 A745 N750 L751 V770 V774F694-L748 HydrophobicContact CE2-CD1 4.06Å; F694-L748 HydrophobicContact CE2-CD2 3.76Å; F694-L748 HydrophobicContact CE2-CG 3.93Å; F694-L748 HydrophobicContact CZ-CD1 4.28Å; F694-L748 HydrophobicContact CZ-CD2 3.7Å; F694-L748 HydrophobicContact CZ-CG 3.72Å; L728-L748 HydrophobicContact CB-CD2 4.15Å; Y732-L748 HydrophobicContact CD1-CD1 4.39Å; Y732-L748 HydrophobicContact CD2-CD1 3.89Å; Y732-L748 HydrophobicContact CG-CD1 3.69Å; M744-L748 WeakPolarHBondContact O-CG 3.42Å; M744-L748 PolarHBondContact O-N 3.5Å; A745-L748 PolarHBondContact O-N 2.97Å; L748-N750 VanDerWaalsContact C-N 3.27Å; L748-N750 PolarHBondContact O-N 3.09Å; L748-L751 HydrophobicContact CD2-CD1 3.94Å; L748-L751 VanDerWaalsContact O-CB 3.27Å; L748-L751 WeakPolarHBondContact O-CB 3.26Å; L748-L751 WeakPolarHBondContact O-CG 3.4Å; L748-L751 PolarHBondContact O-N 3.26Å; L748-L751 VanDerWaalsContact O-N 3.12Å; L748-V770 HydrophobicContact CB-CG1 3.88Å; L748-V770 HydrophobicContact CD1-CG1 4.05Å; L748-V770 HydrophobicContact CD2-CG1 3.75Å; L748-V770 HydrophobicContact CG-CG1 4.08Å; L748-V774 HydrophobicContact CB-CG2 3.87Å; L748-V774 HydrophobicContact CD1-CG2 3.55Å; L748-V774 HydrophobicContact CG-CG2 4.36Å
749I92.6Very high91.9Very high2 Ų245.1 Ų45.11%0.0123%0.227CC..Hα-helixtrans-67-31.2175.5-63.8-52.8000111.2A745 D746 E747 L751 I752 V771 V774 K793 I809A745-I749 WeakPolarHBondContact O-CG1 3.09Å; A745-I749 PolarHBondContact O-N 3.05Å; D746-I749 PolarHBondContact O-N 3.17Å; E747-I749 PolarHBondContact O-N 3.09Å; I749-L751 PolarHBondContact O-N 3.49Å; I749-L751 VanDerWaalsContact O-N 3.17Å; I749-I752 HydrophobicContact CD1-CD1 4.41Å; I749-I752 HydrophobicContact CG2-CD1 4.07Å; I749-I752 WeakPolarHBondContact O-CG1 3.41Å; I749-I752 PolarHBondContact O-N 3.4Å; I749-V771 HydrophobicContact CD1-CG1 4.1Å; I749-V771 HydrophobicContact CD1-CG2 4.31Å; I749-V774 HydrophobicContact CD1-CB 4.25Å; I749-V774 HydrophobicContact CD1-CG1 3.97Å; I749-V774 HydrophobicContact CG1-CG1 4.16Å; I749-K793 HydrophobicContact CB-CD 4.49Å; I749-K793 HydrophobicContact CG2-CD 3.75Å; I749-K793 HydrophobicContact CG2-CG 4.49Å; I749-I809 HydrophobicContact CD1-CD1 4.01Å; I749-I809 HydrophobicContact CG1-CD1 4.36Å; I749-I809 HydrophobicContact CG2-CD1 3.7Å; I749-I809 HydrophobicContact CG2-CG1 4.41Å
750N91.3Very high91.9Very high69 Ų6939.6 Ų39.637%0.36919%0.191SC..THydrogen-bonded Turntrans-67.1-9173.7-69.6-26.2000113.6D746 E747 L748 P753 K793D746-N750 PolarHBondContact O-N 2.8Å; D746-N750 PolarHBondContact O-ND2 2.88Å; E747-N750 WeakPolarHBondContact O-CB 3.3Å; E747-N750 PolarHBondContact O-N 3.2Å; E747-N750 VanDerWaalsContact O-N 3.15Å; L748-N750 VanDerWaalsContact C-N 3.27Å; L748-N750 PolarHBondContact O-N 3.09Å; N750-P753 WeakPolarHBondContact O-CD 3.39Å; N750-K793 WeakPolarHBondContact OD1-CE 3.46Å; N750-K793 PolarHBondContact OD1-NZ 3.41Å
751L92.6Very high91.8Very high10 Ų1037.6 Ų37.65%0.05218%0.179CC..THydrogen-bonded Turntrans-79.1-18.2174.2-56-179.4000113.1L698 I701 L725 E747 L748 I749 L754 F755 L767L698-L751 HydrophobicContact CD1-CD1 4.35Å; L698-L751 HydrophobicContact CD1-CD2 4.31Å; I701-L751 HydrophobicContact CD1-CD1 3.76Å; I701-L751 HydrophobicContact CD1-CD2 3.94Å; I701-L751 HydrophobicContact CG2-CD2 4.25Å; L725-L751 HydrophobicContact CD2-CD1 3.63Å; E747-L751 PolarHBondContact O-N 2.7Å; L748-L751 HydrophobicContact CD2-CD1 3.94Å; L748-L751 VanDerWaalsContact O-CB 3.27Å; L748-L751 WeakPolarHBondContact O-CB 3.26Å; L748-L751 WeakPolarHBondContact O-CG 3.4Å; L748-L751 PolarHBondContact O-N 3.26Å; L748-L751 VanDerWaalsContact O-N 3.12Å; I749-L751 PolarHBondContact O-N 3.49Å; I749-L751 VanDerWaalsContact O-N 3.17Å; L751-L754 HydrophobicContact CD2-CD1 4.18Å; L751-L754 WeakPolarHBondContact O-CB 3.47Å; L751-L754 PolarHBondContact O-N 3.45Å; L751-L754 VanDerWaalsContact O-N 3.12Å; L751-F755 HydrophobicContact CB-CD2 4.05Å; L751-F755 HydrophobicContact CB-CE2 4.19Å; L751-F755 HydrophobicContact CD2-CE2 4.28Å; L751-F755 WeakPolarHBondContact O-CD2 3.33Å; L751-F755 PolarHBondContact O-N 2.87Å; L751-L767 HydrophobicContact CB-CD1 4.14Å
752I91.9Very high91.7Very high0 Ų038.6 Ų38.60%019%0.187CC..Hα-helixtrans-56.3-51.1-177.4-60.9169.9000112I749 L754 F755 H756 L767 V771 V795 L797 I809 W812I749-I752 HydrophobicContact CD1-CD1 4.41Å; I749-I752 HydrophobicContact CG2-CD1 4.07Å; I749-I752 WeakPolarHBondContact O-CG1 3.41Å; I749-I752 PolarHBondContact O-N 3.4Å; I752-L754 PolarHBondContact O-N 3.49Å; I752-L754 VanDerWaalsContact O-N 3.17Å; I752-F755 PolarHBondContact O-N 2.97Å; I752-H756 HydrophobicContact CG2-CB 4.32Å; I752-H756 VanDerWaalsContact O-CB 3.26Å; I752-H756 WeakPolarHBondContact O-CB 3.26Å; I752-H756 PolarHBondContact O-N 3.01Å; I752-H756 PolarHBondContact O-ND1 3.36Å; I752-L767 HydrophobicContact CG1-CD1 4.27Å; I752-V771 HydrophobicContact CD1-CG1 4.38Å; I752-V771 HydrophobicContact CD1-CG2 3.77Å; I752-V771 HydrophobicContact CG1-CG2 3.66Å; I752-V795 HydrophobicContact CB-CG1 4.03Å; I752-V795 HydrophobicContact CD1-CG2 4.35Å; I752-V795 HydrophobicContact CG2-CG1 3.68Å; I752-L797 HydrophobicContact CG2-CD2 4.43Å; I752-I809 HydrophobicContact CD1-CD1 4.49Å; I752-I809 HydrophobicContact CD1-CG1 4.19Å; I752-W812 HydrophobicContact CD1-CE3 4.05Å; I752-W812 HydrophobicContact CD1-CZ3 3.97Å; I752-W812 HydrophobicContact CG1-CH2 4.37Å; I752-W812 HydrophobicContact CG1-CZ3 4.19Å; I752-W812 HydrophobicContact CG2-CD2 3.73Å; I752-W812 HydrophobicContact CG2-CE3 4.01Å; I752-W812 HydrophobicContact CG2-CG 4.2Å; I752-W812 HydrophobicContact CG2-CH2 4.32Å; I752-W812 HydrophobicContact CG2-CZ2 4.08Å; I752-W812 HydrophobicContact CG2-CZ3 4.3Å
753P88.3Confident91.8Very high34 Ų3436.9 Ų36.922%0.22118%0.176CC..Hα-helixtrans-58.7-31.6179.5-23.835.3000113.4N750 H756 V795N750-P753 WeakPolarHBondContact O-CD 3.39Å; P753-H756 PolarHBondContact O-CE1 3.4Å; P753-H756 PolarHBondContact O-ND1 3.04Å; P753-V795 HydrophobicContact CG-CG1 3.87Å
754L88.4Confident91.8Very high95 Ų9530.8 Ų30.850%0.49715%0.153SC..Hα-helixtrans-72.3-40.3-178.6-60177.9000112.3L751 I752L751-L754 HydrophobicContact CD2-CD1 4.18Å; L751-L754 WeakPolarHBondContact O-CB 3.47Å; L751-L754 PolarHBondContact O-N 3.45Å; L751-L754 VanDerWaalsContact O-N 3.12Å; I752-L754 PolarHBondContact O-N 3.49Å; I752-L754 VanDerWaalsContact O-N 3.17Å
755F91.7Very high91.7Very high0 Ų032 Ų320%016%0.158CC..Hα-helixtrans-115.5-7.7-167.5-56.6-56.2000115.7I701 S705 L721 L725 L751 I752 R757 H758 V763 L767I701-F755 HydrophobicContact CG2-CE2 3.63Å; I701-F755 HydrophobicContact CG2-CZ 3.4Å; S705-F755 WeakPolarHBondContact OG-CE1 3.47Å; L721-F755 HydrophobicContact CD1-CE1 4.42Å; L721-F755 HydrophobicContact CD1-CZ 4.09Å; L721-F755 HydrophobicContact CD2-CD1 4.22Å; L721-F755 HydrophobicContact CD2-CE1 3.65Å; L721-F755 HydrophobicContact CD2-CZ 4.16Å; L725-F755 HydrophobicContact CD1-CD2 4.11Å; L725-F755 HydrophobicContact CD1-CE2 4.36Å; L725-F755 HydrophobicContact CD1-CG 4.47Å; L725-F755 HydrophobicContact CD2-CD2 4.34Å; L725-F755 HydrophobicContact CD2-CE2 4.13Å; L751-F755 HydrophobicContact CB-CD2 4.05Å; L751-F755 HydrophobicContact CB-CE2 4.19Å; L751-F755 HydrophobicContact CD2-CE2 4.28Å; L751-F755 WeakPolarHBondContact O-CD2 3.33Å; L751-F755 PolarHBondContact O-N 2.87Å; I752-F755 PolarHBondContact O-N 2.97Å; F755-R757 PolarHBondContact O-N 3.32Å; F755-H758 WeakPolarHBondContact O-CB 3.37Å; F755-H758 PolarHBondContact O-N 3.42Å; F755-V763 HydrophobicContact CB-CG1 4.2Å; F755-V763 HydrophobicContact CD1-CG1 3.95Å; F755-V763 HydrophobicContact CG-CG1 4.15Å; F755-L767 HydrophobicContact CB-CB 4.38Å; F755-L767 HydrophobicContact CB-CD1 4.44Å; F755-L767 HydrophobicContact CB-CD2 3.95Å; F755-L767 HydrophobicContact CB-CG 4.47Å
756H87.9Confident91.8Very high27 Ų2732.2 Ų32.213%0.12516%0.16CC..THydrogen-bonded Turntrans-57-27.4-177.273.5-69.9000114.4I752 P753 L797 W812I752-H756 HydrophobicContact CG2-CB 4.32Å; I752-H756 VanDerWaalsContact O-CB 3.26Å; I752-H756 WeakPolarHBondContact O-CB 3.26Å; I752-H756 PolarHBondContact O-N 3.01Å; I752-H756 PolarHBondContact O-ND1 3.36Å; P753-H756 PolarHBondContact O-CE1 3.4Å; P753-H756 PolarHBondContact O-ND1 3.04Å; H756-L797 HydrophobicContact CB-CD2 4.37Å; H756-W812 HydrophobicContact CB-CZ2 4.49Å
757R87Confident92Very high177 Ų17729.3 Ų29.367%0.66814%0.144SC*.THydrogen-bonded Turntrans-115.121.5177.1-80.7174.2-172162.97.6112.9F755 F798F755-R757 PolarHBondContact O-N 3.32Å; R757-F798 PolarHBondContact NH1-O 2.93Å
758H91.6Very high92.1Very high8 Ų826.6 Ų26.64%0.03713%0.132CC..  trans-59.9135.1178.3-167.3-83000110S708 F755 E760 V763 R764S708-H758 PolarHBondContact OG-NE2 2.76Å; F755-H758 WeakPolarHBondContact O-CB 3.37Å; F755-H758 PolarHBondContact O-N 3.42Å; H758-E760 VanDerWaalsContact C-N 3.33Å; H758-E760 WeakPolarHBondContact ND1-CB 3.35Å; H758-E760 PolarHBondContact ND1-N 3.38Å; H758-E760 VanDerWaalsContact ND1-N 3.14Å; H758-E760 PolarHBondContact O-N 2.95Å; H758-V763 HydrophobicContact CB-CB 4.26Å; H758-V763 HydrophobicContact CB-CG1 4.02Å; H758-R764 HydrophobicContact CB-CG 4.22Å; H758-R764 WeakPolarHBondContact O-CD 3.5Å; H758-R764 WeakPolarHBondContact O-CG 3.39Å; H758-R764 PolarHBondContact O-NH1 3.27Å
759P88.8Confident92.1Very high54 Ų5430 Ų3035%0.35115%0.149SC..SBendtrans-61.4-41.9-176.122.6-33.7000112P761 R764P759-P761 WeakPolarHBondContact O-CD 3.23Å; P759-R764 PolarHBondContact O-NH1 3.13Å
760E91Very high92.3Very high7 Ų729.9 Ų29.93%0.03315%0.149CC..SBendtrans-73.6119.3179.3-172.453.1-131.600112.3Q337 P390 A718 H758 A762 V763 R764Q337-E760 PolarHBondContact NE2-OE2 2.83Å; P390-E760 VanDerWaalsContact CD-CD 3.44Å; P390-E760 WeakPolarHBondContact CD-OE1 3.5Å; P390-E760 HydrophobicContact CG-CG 3.69Å; P390-E760 WeakPolarHBondContact CG-OE1 3.48Å; A718-E760 HydrophobicContact CB-CB 4.13Å; A718-E760 HydrophobicContact CB-CG 4.02Å; H758-E760 VanDerWaalsContact C-N 3.33Å; H758-E760 WeakPolarHBondContact ND1-CB 3.35Å; H758-E760 PolarHBondContact ND1-N 3.38Å; H758-E760 VanDerWaalsContact ND1-N 3.14Å; H758-E760 PolarHBondContact O-N 2.95Å; E760-A762 VanDerWaalsContact C-N 3.31Å; E760-A762 HydrophobicContact CG-CB 4.18Å; E760-A762 PolarHBondContact O-N 3.14Å; E760-V763 HydrophobicContact CB-CG2 4.22Å; E760-V763 HydrophobicContact CG-CG2 4.39Å; E760-V763 PolarHBondContact O-N 2.96Å; E760-R764 PolarHBondContact O-N 2.91Å
761P90.7Very high92.5Very high0 Ų026.6 Ų26.60%013%0.131CC..Hα-helixtrans-59.9-35178.6-25.634.6000114.2Q337 P759 V763 R764 R765 D822Q337-P761 WeakPolarHBondContact O-CG 3.38Å; P759-P761 WeakPolarHBondContact O-CD 3.23Å; P761-V763 PolarHBondContact O-N 3.12Å; P761-R764 PolarHBondContact O-N 2.93Å; P761-R765 WeakPolarHBondContact O-CG 3.5Å; P761-R765 PolarHBondContact O-N 2.98Å; P761-D822 HydrophobicContact CB-CB 4.11Å
762A92.3Very high92.6Very high20 Ų2026.5 Ų26.517%0.16513%0.132CC..Hα-helixtrans-58.2-36.8179.900000112.4P390 A722 E760 A766P390-A762 HydrophobicContact CB-CB 4.04Å; P390-A762 HydrophobicContact CG-CB 3.57Å; A722-A762 HydrophobicContact CB-CB 4.11Å; E760-A762 VanDerWaalsContact C-N 3.31Å; E760-A762 HydrophobicContact CG-CB 4.18Å; E760-A762 PolarHBondContact O-N 3.14Å; A762-A766 WeakPolarHBondContact O-CB 3.27Å; A762-A766 PolarHBondContact O-N 3.34Å
763V94.8Very high92.7Very high0 Ų027.7 Ų27.70%014%0.14CC..Hα-helixtrans-69.3-41.2175.6179.40000110.8A718 L721 A722 L725 F755 H758 E760 P761 A766 L767A718-V763 HydrophobicContact CB-CG2 4.24Å; A718-V763 WeakPolarHBondContact O-CG2 3.3Å; L721-V763 HydrophobicContact CD2-CG1 3.96Å; L721-V763 HydrophobicContact CD2-CG2 4.26Å; L721-V763 HydrophobicContact CG-CG1 4.31Å; L721-V763 HydrophobicContact CG-CG2 4.48Å; A722-V763 HydrophobicContact CB-CG2 4.16Å; L725-V763 HydrophobicContact CD1-CG1 3.91Å; F755-V763 HydrophobicContact CB-CG1 4.2Å; F755-V763 HydrophobicContact CD1-CG1 3.95Å; F755-V763 HydrophobicContact CG-CG1 4.15Å; H758-V763 HydrophobicContact CB-CB 4.26Å; H758-V763 HydrophobicContact CB-CG1 4.02Å; E760-V763 HydrophobicContact CB-CG2 4.22Å; E760-V763 HydrophobicContact CG-CG2 4.39Å; E760-V763 PolarHBondContact O-N 2.96Å; P761-V763 PolarHBondContact O-N 3.12Å; V763-A766 PolarHBondContact O-N 3.27Å; V763-L767 PolarHBondContact O-N 2.86Å
764R94.6Very high93Very high23 Ų2326.1 Ų26.19%0.08713%0.129CC..Hα-helixtrans-64.4-43.1175.8-60.3-160.2-56.6-76.80.1111.9H758 P759 E760 P761 L767 H768 D820H758-R764 HydrophobicContact CB-CG 4.22Å; H758-R764 WeakPolarHBondContact O-CD 3.5Å; H758-R764 WeakPolarHBondContact O-CG 3.39Å; H758-R764 PolarHBondContact O-NH1 3.27Å; P759-R764 PolarHBondContact O-NH1 3.13Å; E760-R764 PolarHBondContact O-N 2.91Å; P761-R764 PolarHBondContact O-N 2.93Å; R764-L767 WeakPolarHBondContact O-CB 3.29Å; R764-L767 PolarHBondContact O-N 3.29Å; R764-H768 PolarHBondContact O-CD2 3.47Å; R764-H768 PolarHBondContact O-N 3.17Å; R764-D820 IonicContact CZ-OD1 3.8Å; R764-D820 IonicContact CZ-OD2 2.63Å; R764-D820 IonicContact NE-OD1 2.81Å; R764-D820 PolarHBondContact NE-OD1 3.13Å; R764-D820 IonicContact NE-OD2 3.83Å; R764-D820 PolarHBondContact NE-OD2 3.41Å; R764-D820 IonicContact NH2-OD1 3.79Å; R764-D820 PolarHBondContact NH2-OD1 3.39Å; R764-D820 IonicContact NH2-OD2 3.89Å
765R94.6Very high93.2Very high25 Ų2521.6 Ų21.69%0.09411%0.106CC..Hα-helixtrans-58.3-48.6173-67.7176.9-170.7-167.1-7.8110.9P761 L767 H768 I769 D822 E824 C825 L828P761-R765 WeakPolarHBondContact O-CG 3.5Å; P761-R765 PolarHBondContact O-N 2.98Å; R765-L767 VanDerWaalsContact C-N 3.32Å; R765-L767 PolarHBondContact O-N 3.05Å; R765-H768 PolarHBondContact O-N 3.38Å; R765-H768 VanDerWaalsContact O-N 3.12Å; R765-I769 WeakPolarHBondContact O-CG1 3.42Å; R765-I769 PolarHBondContact O-N 3.2Å; R765-D822 IonicContact CZ-OD1 2.65Å; R765-D822 IonicContact CZ-OD2 3.05Å; R765-D822 IonicContact NE-OD1 3.78Å; R765-D822 IonicContact NE-OD2 3.96Å; R765-D822 PolarHBondContact NE-OD2 3.07Å; R765-D822 VanDerWaalsContact NH2-CG 3.32Å; R765-D822 IonicContact NH2-OD1 3.22Å; R765-D822 PolarHBondContact NH2-OD1 3.17Å; R765-D822 IonicContact NH2-OD2 3.92Å; R765-D822 PolarHBondContact NH2-OD2 3.42Å; R765-D822 VanDerWaalsContact NH2-OD2 3.14Å; R765-E824 IonicContact CZ-OE1 2.87Å; R765-E824 IonicContact CZ-OE2 2.78Å; R765-E824 IonicContact NE-OE2 3.28Å; R765-E824 IonicContact NH1-OE1 3.68Å; R765-E824 PolarHBondContact NH1-OE1 3.04Å; R765-E824 IonicContact NH1-OE2 3.71Å; R765-E824 PolarHBondContact NH1-OE2 3.47Å; R765-E824 VanDerWaalsContact NH2-CD 3.26Å; R765-E824 IonicContact NH2-OE1 2.74Å; R765-E824 PolarHBondContact NH2-OE1 3.19Å; R765-E824 IonicContact NH2-OE2 3.43Å; R765-C825 WeakPolarHBondContact CG-SG 3.29Å; R765-L828 HydrophobicContact CB-CD1 4.07Å; R765-L828 HydrophobicContact CG-CD1 4.3Å
766A96.3Very high93.2Very high5 Ų523 Ų234%0.04111%0.114CC..Hα-helixtrans-60.9-40.2177.500000112.1A722 L725 A762 V763 I769 V770A722-A766 HydrophobicContact CB-CB 4.17Å; A722-A766 VanDerWaalsContact O-CB 3.28Å; A722-A766 WeakPolarHBondContact O-CB 3.3Å; L725-A766 HydrophobicContact CB-CB 3.81Å; L725-A766 HydrophobicContact CD1-CB 4.32Å; A762-A766 WeakPolarHBondContact O-CB 3.27Å; A762-A766 PolarHBondContact O-N 3.34Å; V763-A766 PolarHBondContact O-N 3.27Å; A766-I769 PolarHBondContact O-N 3.05Å; A766-V770 VanDerWaalsContact O-CG2 3.28Å; A766-V770 WeakPolarHBondContact O-CG2 3.41Å; A766-V770 PolarHBondContact O-N 3.43Å
767L96.3Very high93.4Very high1 Ų122.8 Ų22.81%0.00512%0.115CC..Hα-helixtrans-59.7-46.9172177.171.2000111.4L751 I752 F755 V763 R764 R765 I769 V770 V771 W812L751-L767 HydrophobicContact CB-CD1 4.14Å; I752-L767 HydrophobicContact CG1-CD1 4.27Å; F755-L767 HydrophobicContact CB-CB 4.38Å; F755-L767 HydrophobicContact CB-CD1 4.44Å; F755-L767 HydrophobicContact CB-CD2 3.95Å; F755-L767 HydrophobicContact CB-CG 4.47Å; V763-L767 PolarHBondContact O-N 2.86Å; R764-L767 WeakPolarHBondContact O-CB 3.29Å; R764-L767 PolarHBondContact O-N 3.29Å; R765-L767 VanDerWaalsContact C-N 3.32Å; R765-L767 PolarHBondContact O-N 3.05Å; L767-I769 VanDerWaalsContact C-N 3.34Å; L767-I769 PolarHBondContact O-N 3.5Å; L767-V770 WeakPolarHBondContact O-CB 3.28Å; L767-V770 PolarHBondContact O-N 3.13Å; L767-V771 HydrophobicContact CD1-CG2 4.26Å; L767-V771 HydrophobicContact CG-CG2 4.47Å; L767-V771 WeakPolarHBondContact O-CG2 3.46Å; L767-V771 PolarHBondContact O-N 3.23Å; L767-W812 HydrophobicContact CD2-CH2 3.93Å; L767-W812 HydrophobicContact CD2-CZ2 3.65Å; L767-W812 HydrophobicContact CG-CH2 4.13Å; L767-W812 HydrophobicContact CG-CZ2 4.34Å
768H95.5Very high93.6Very high2 Ų214.4 Ų14.41%0.0098%0.084CC..Hα-helixtrans-62-40.8176.8-75.7-60.8000112.2R764 R765 V770 V771 G772 W812 L828R764-H768 PolarHBondContact O-CD2 3.47Å; R764-H768 PolarHBondContact O-N 3.17Å; R765-H768 PolarHBondContact O-N 3.38Å; R765-H768 VanDerWaalsContact O-N 3.12Å; H768-V770 VanDerWaalsContact C-N 3.34Å; H768-V770 PolarHBondContact O-N 2.79Å; H768-V771 PolarHBondContact O-N 2.91Å; H768-G772 WeakPolarHBondContact O-CA 3.5Å; H768-G772 PolarHBondContact O-N 2.74Å; H768-W812 AromaticContact CE1-CH2 3.48Å; H768-W812 VanDerWaalsContact CE1-CH2 3.48Å; H768-W812 WeakPolarHBondContact CE1-CH2 3.34Å; H768-W812 AromaticContact CE1-CZ2 3.33Å; H768-W812 WeakPolarHBondContact CE1-CZ2 3.27Å; H768-W812 AromaticContact ND1-CH2 3.38Å; H768-W812 WeakPolarHBondContact ND1-CH2 3.4Å; H768-W812 AromaticContact ND1-CZ2 3.74Å; H768-L828 HydrophobicContact CB-CB 3.81Å; H768-L828 HydrophobicContact CB-CD1 4.26Å
769I95.6Very high93.5Very high71 Ų7114.9 Ų14.936%0.3649%0.087SC..Hα-helixtrans-60.4-45.2174.3-69.2165.2000110.3R765 A766 L767 T773 L828R765-I769 WeakPolarHBondContact O-CG1 3.42Å; R765-I769 PolarHBondContact O-N 3.2Å; A766-I769 PolarHBondContact O-N 3.05Å; L767-I769 VanDerWaalsContact C-N 3.34Å; L767-I769 PolarHBondContact O-N 3.5Å; I769-T773 VanDerWaalsContact O-CB 3.25Å; I769-T773 WeakPolarHBondContact O-CB 3.1Å; I769-T773 PolarHBondContact O-N 3.02Å; I769-T773 PolarHBondContact O-OG1 2.86Å; I769-L828 HydrophobicContact CG1-CD1 4.1Å; I769-L828 HydrophobicContact CG1-CD2 4.26Å
770V96.4Very high93.4Very high0 Ų014.4 Ų14.40%08%0.082CC..Hα-helixtrans-60.5-52.1177.4166.30000111.2L725 L748 A766 L767 H768 T773 V774L725-V770 HydrophobicContact CB-CG2 4.2Å; L725-V770 WeakPolarHBondContact O-CG2 3.32Å; L748-V770 HydrophobicContact CB-CG1 3.88Å; L748-V770 HydrophobicContact CD1-CG1 4.05Å; L748-V770 HydrophobicContact CD2-CG1 3.75Å; L748-V770 HydrophobicContact CG-CG1 4.08Å; A766-V770 VanDerWaalsContact O-CG2 3.28Å; A766-V770 WeakPolarHBondContact O-CG2 3.41Å; A766-V770 PolarHBondContact O-N 3.43Å; L767-V770 WeakPolarHBondContact O-CB 3.28Å; L767-V770 PolarHBondContact O-N 3.13Å; H768-V770 VanDerWaalsContact C-N 3.34Å; H768-V770 PolarHBondContact O-N 2.79Å; V770-T773 WeakPolarHBondContact O-CB 3.34Å; V770-T773 PolarHBondContact O-N 3.12Å; V770-V774 WeakPolarHBondContact O-CG2 3.2Å; V770-V774 PolarHBondContact O-N 3.38Å
771V95Very high93.3Very high0 Ų020.5 Ų20.50%011%0.11CC..Hα-helixtrans-65.2-43.8-178.4175.80000110.9I749 I752 L767 H768 T773 V774 I775 I809 W812I749-V771 HydrophobicContact CD1-CG1 4.1Å; I749-V771 HydrophobicContact CD1-CG2 4.31Å; I752-V771 HydrophobicContact CD1-CG1 4.38Å; I752-V771 HydrophobicContact CD1-CG2 3.77Å; I752-V771 HydrophobicContact CG1-CG2 3.66Å; L767-V771 HydrophobicContact CD1-CG2 4.26Å; L767-V771 HydrophobicContact CG-CG2 4.47Å; L767-V771 WeakPolarHBondContact O-CG2 3.46Å; L767-V771 PolarHBondContact O-N 3.23Å; H768-V771 PolarHBondContact O-N 2.91Å; V771-T773 VanDerWaalsContact C-N 3.31Å; V771-T773 PolarHBondContact O-N 3.42Å; V771-V774 PolarHBondContact O-N 3.19Å; V771-I775 HydrophobicContact CG1-CD1 3.76Å; V771-I775 HydrophobicContact CG1-CG1 4.37Å; V771-I775 VanDerWaalsContact O-CG1 3.28Å; V771-I775 WeakPolarHBondContact O-CG1 3.39Å; V771-I775 PolarHBondContact O-N 3.04Å; V771-I809 HydrophobicContact CG1-CG2 4.1Å; V771-W812 HydrophobicContact CB-CZ3 4.16Å; V771-W812 HydrophobicContact CG1-CZ3 3.97Å; V771-W812 HydrophobicContact CG2-CH2 4.13Å; V771-W812 HydrophobicContact CG2-CZ3 3.98Å
772G94.8Very high93.1Very high8 Ų821.6 Ų21.68%0.08212%0.115CC..Hα-helixtrans-55.2-48.2171.600000110.6H768 V774 I775 T776 S832H768-G772 WeakPolarHBondContact O-CA 3.5Å; H768-G772 PolarHBondContact O-N 2.74Å; G772-V774 PolarHBondContact O-N 2.87Å; G772-I775 PolarHBondContact O-N 2.8Å; G772-T776 WeakPolarHBondContact O-CB 3.43Å; G772-T776 WeakPolarHBondContact O-CG2 3.43Å; G772-T776 PolarHBondContact O-N 3.13Å; G772-T776 PolarHBondContact O-OG1 3.15Å; G772-S832 WeakPolarHBondContact CA-OG 3.27Å
773T94.4Very high92.9Very high25 Ų2520.6 Ų20.615%0.15311%0.108CC..Hα-helixtrans-59.9-43.5177.4-560000111.7G729 Y732 A733 I769 V770 V771 T776 T777G729-T773 VanDerWaalsContact O-CG2 3.31Å; G729-T773 WeakPolarHBondContact O-CG2 3.35Å; Y732-T773 HydrophobicContact CD1-CG2 4.39Å; A733-T773 HydrophobicContact CB-CG2 3.77Å; I769-T773 VanDerWaalsContact O-CB 3.25Å; I769-T773 WeakPolarHBondContact O-CB 3.1Å; I769-T773 PolarHBondContact O-N 3.02Å; I769-T773 PolarHBondContact O-OG1 2.86Å; V770-T773 WeakPolarHBondContact O-CB 3.34Å; V770-T773 PolarHBondContact O-N 3.12Å; V771-T773 VanDerWaalsContact C-N 3.31Å; V771-T773 PolarHBondContact O-N 3.42Å; T773-T776 VanDerWaalsContact CA-OG1 3.24Å; T773-T776 WeakPolarHBondContact CA-OG1 3.38Å; T773-T776 PolarHBondContact O-N 3.23Å; T773-T776 PolarHBondContact O-OG1 2.93Å; T773-T776 VanDerWaalsContact O-OG1 3.05Å; T773-T777 HydrophobicContact CG2-CG2 4.09Å; T773-T777 WeakPolarHBondContact O-CB 3.47Å; T773-T777 PolarHBondContact O-N 2.91Å; T773-T777 PolarHBondContact O-OG1 2.8Å
774V94.4Very high92.4Very high0 Ų023.1 Ų23.10%013%0.125CC..Hα-helixtrans-59.7-51.4175173.90000111.3Y732 A745 L748 I749 V770 V771 G772 T776 T778 I790Y732-V774 HydrophobicContact CD1-CG2 4.04Å; Y732-V774 HydrophobicContact CE1-CB 4.28Å; Y732-V774 HydrophobicContact CE1-CG2 4Å; Y732-V774 HydrophobicContact CG-CG2 4.45Å; A745-V774 HydrophobicContact CB-CG1 3.99Å; L748-V774 HydrophobicContact CB-CG2 3.87Å; L748-V774 HydrophobicContact CD1-CG2 3.55Å; L748-V774 HydrophobicContact CG-CG2 4.36Å; I749-V774 HydrophobicContact CD1-CB 4.25Å; I749-V774 HydrophobicContact CD1-CG1 3.97Å; I749-V774 HydrophobicContact CG1-CG1 4.16Å; V770-V774 WeakPolarHBondContact O-CG2 3.2Å; V770-V774 PolarHBondContact O-N 3.38Å; V771-V774 PolarHBondContact O-N 3.19Å; G772-V774 PolarHBondContact O-N 2.87Å; V774-T776 PolarHBondContact O-N 3.3Å; V774-T778 WeakPolarHBondContact O-CB 3.48Å; V774-T778 PolarHBondContact O-N 3.27Å; V774-T778 VanDerWaalsContact O-N 3.12Å; V774-T778 PolarHBondContact O-OG1 3.01Å; V774-I790 HydrophobicContact CG1-CD1 4.28Å
775I93.2Very high92.1Very high0 Ų026 Ų260%015%0.148CC..Hα-helixtrans-55.9-43.2178.2-67.7164.4000110.9V771 G772 I790 I809 L813 A835 L836 R839V771-I775 HydrophobicContact CG1-CD1 3.76Å; V771-I775 HydrophobicContact CG1-CG1 4.37Å; V771-I775 VanDerWaalsContact O-CG1 3.28Å; V771-I775 WeakPolarHBondContact O-CG1 3.39Å; V771-I775 PolarHBondContact O-N 3.04Å; G772-I775 PolarHBondContact O-N 2.8Å; I775-I790 HydrophobicContact CG1-CD1 4.43Å; I775-I790 HydrophobicContact CG1-CG2 3.88Å; I775-I809 HydrophobicContact CD1-CG2 4.44Å; I775-L813 HydrophobicContact CD1-CD1 4.06Å; I775-A835 HydrophobicContact CG2-CB 4.12Å; I775-L836 HydrophobicContact CD1-CB 4.41Å; I775-L836 HydrophobicContact CD1-CD1 4.48Å; I775-L836 HydrophobicContact CG1-CD1 4.44Å; I775-L836 HydrophobicContact CG2-CB 4.18Å; I775-L836 HydrophobicContact CG2-CD1 4.34Å; I775-R839 HydrophobicContact CG2-CG 4.26Å; I775-R839 WeakPolarHBondContact O-CG 3.28Å
776T92.1Very high91.6Very high30 Ų3029.6 Ų29.618%0.18417%0.165CC..Hα-helixtrans-85.3-27.3-166.357.50000114.3R646 G772 T773 V774 A835R646-T776 PolarHBondContact NE-O 3.45Å; R646-T776 VanDerWaalsContact NH1-CG2 3.26Å; R646-T776 PolarHBondContact NH2-O 3.01Å; G772-T776 WeakPolarHBondContact O-CB 3.43Å; G772-T776 WeakPolarHBondContact O-CG2 3.43Å; G772-T776 PolarHBondContact O-N 3.13Å; G772-T776 PolarHBondContact O-OG1 3.15Å; T773-T776 VanDerWaalsContact CA-OG1 3.24Å; T773-T776 WeakPolarHBondContact CA-OG1 3.38Å; T773-T776 PolarHBondContact O-N 3.23Å; T773-T776 PolarHBondContact O-OG1 2.93Å; T773-T776 VanDerWaalsContact O-OG1 3.05Å; V774-T776 PolarHBondContact O-N 3.3Å; T776-A835 HydrophobicContact CG2-CB 3.74Å
777T91.4Very high91Very high23 Ų2331.1 Ų31.114%0.14117%0.174CC..Hα-helixtrans-114.6-10-173.364.70000114.6Y732 A733 T773 P779Y732-T777 VanDerWaalsContact CE1-OG1 3.31Å; Y732-T777 WeakPolarHBondContact CE1-OG1 3.3Å; A733-T777 HydrophobicContact CB-CG2 4.06Å; T773-T777 HydrophobicContact CG2-CG2 4.09Å; T773-T777 WeakPolarHBondContact O-CB 3.47Å; T773-T777 PolarHBondContact O-N 2.91Å; T773-T777 PolarHBondContact O-OG1 2.8Å; T777-P779 VanDerWaalsContact O-CD 3.26Å; T777-P779 WeakPolarHBondContact O-CD 3.29Å
778T91.8Very high90.3Very high1 Ų135.4 Ų35.41%0.00619%0.194CC..SBendtrans-62.8122.4173.9-56.60000109.8Y732 V774 I782 L783 R839Y732-T778 PolarHBondContact OH-OG1 3.36Å; V774-T778 WeakPolarHBondContact O-CB 3.48Å; V774-T778 PolarHBondContact O-N 3.27Å; V774-T778 VanDerWaalsContact O-N 3.12Å; V774-T778 PolarHBondContact O-OG1 3.01Å; T778-I782 HydrophobicContact CG2-CB 3.9Å; T778-I782 HydrophobicContact CG2-CG2 3.7Å; T778-L783 HydrophobicContact CG2-CD2 3.61Å; T778-L783 HydrophobicContact CG2-CG 3.83Å; T778-R839 PolarHBondContact O-NH2 2.97Å
779P89.9Confident89.7Confident18 Ų1835.7 Ų35.712%0.11720%0.196CC..  trans-56.7149.2176.4-25.132.9000114T777 E781 I782 L783T777-P779 VanDerWaalsContact O-CD 3.26Å; T777-P779 WeakPolarHBondContact O-CD 3.29Å; P779-E781 WeakPolarHBondContact CB-OE2 3.41Å; P779-E781 PolarHBondContact O-N 3.26Å; P779-I782 HydrophobicContact CG-CD1 4.23Å; P779-I782 PolarHBondContact O-N 3.34Å; P779-L783 PolarHBondContact O-N 3.42Å; P779-L783 VanDerWaalsContact O-N 3.15Å
780L87.2Confident89.1Confident44 Ų4432.5 Ų32.523%0.2318%0.179CC..Hα-helixtrans-66.7-26.6-176.3-173.360.9000112.2I782 L783 S784 L843L780-I782 VanDerWaalsContact C-N 3.35Å; L780-L783 PolarHBondContact O-N 3.07Å; L780-S784 VanDerWaalsContact O-CB 3.22Å; L780-S784 WeakPolarHBondContact O-CB 3.46Å; L780-S784 PolarHBondContact O-N 3.39Å; L780-S784 PolarHBondContact O-OG 3.45Å; L780-L843 HydrophobicContact CD1-CB 4.03Å; L780-L843 HydrophobicContact CD1-CD1 4.2Å; L780-L843 HydrophobicContact CD1-CG 4.17Å
781E87.9Confident88.4Confident135 Ų13534.5 Ų34.563%0.63119%0.188SC*.Hα-helixtrans-64.8-40.2176.1-5875.4-165.800111.1P779 S785P779-E781 WeakPolarHBondContact CB-OE2 3.41Å; P779-E781 PolarHBondContact O-N 3.26Å; E781-S785 WeakPolarHBondContact O-CB 3.32Å; E781-S785 PolarHBondContact O-N 2.9Å; E781-S785 VanDerWaalsContact O-N 3.1Å; E781-S785 PolarHBondContact O-OG 3.43Å
782I87.2Confident87.2Confident22 Ų2244.4 Ų44.411%0.11323%0.226CC..Hα-helixtrans-70-43.9175.2-68.8170.4000110Q741 T742 T778 P779 L780 S784 S785 K786 L789Q741-I782 HydrophobicContact CB-CD1 4.19Å; Q741-I782 HydrophobicContact CG-CD1 4.27Å; T742-I782 HydrophobicContact CG2-CG2 4.05Å; T742-I782 WeakPolarHBondContact OG1-CG2 3.29Å; T778-I782 HydrophobicContact CG2-CB 3.9Å; T778-I782 HydrophobicContact CG2-CG2 3.7Å; P779-I782 HydrophobicContact CG-CD1 4.23Å; P779-I782 PolarHBondContact O-N 3.34Å; L780-I782 VanDerWaalsContact C-N 3.35Å; I782-S784 VanDerWaalsContact C-N 3.33Å; I782-S784 PolarHBondContact O-N 3.4Å; I782-S785 PolarHBondContact O-N 3.03Å; I782-S785 PolarHBondContact O-OG 3.14Å; I782-K786 PolarHBondContact O-N 3.42Å; I782-L789 HydrophobicContact CG2-CD2 4.37Å
783L86.7Confident86Confident0 Ų045.7 Ų45.70%023%0.229CC..Hα-helixtrans-66.3-34.7177.6-62.8-176.8000112.8T778 P779 L780 K786 P787 I790 L843T778-L783 HydrophobicContact CG2-CD2 3.61Å; T778-L783 HydrophobicContact CG2-CG 3.83Å; P779-L783 PolarHBondContact O-N 3.42Å; P779-L783 VanDerWaalsContact O-N 3.15Å; L780-L783 PolarHBondContact O-N 3.07Å; L783-K786 CarbonylContact O-C 3.49Å; L783-K786 VanDerWaalsContact O-C 3.3Å; L783-P787 WeakPolarHBondContact O-CA 3.31Å; L783-P787 WeakPolarHBondContact O-CD 3.48Å; L783-I790 HydrophobicContact CD2-CD1 3.45Å; L783-I790 VanDerWaalsContact CD2-CD1 3.45Å; L783-I790 HydrophobicContact CD2-CG1 3.83Å; L783-L843 HydrophobicContact CB-CD1 3.65Å
784S86.1Confident84.7Confident52 Ų5246.7 Ų46.736%0.36424%0.237SC..Hα-helixtrans-70-37.5178-62.70000111.8L780 I782L780-S784 VanDerWaalsContact O-CB 3.22Å; L780-S784 WeakPolarHBondContact O-CB 3.46Å; L780-S784 PolarHBondContact O-N 3.39Å; L780-S784 PolarHBondContact O-OG 3.45Å; I782-S784 VanDerWaalsContact C-N 3.33Å; I782-S784 PolarHBondContact O-N 3.4Å
785S86.6Confident83.4Confident83 Ų8347 Ų4758%0.5824%0.239SC*.Hα-helixtrans-75.6-33176.757.60000113.3E781 I782E781-S785 WeakPolarHBondContact O-CB 3.32Å; E781-S785 PolarHBondContact O-N 2.9Å; E781-S785 VanDerWaalsContact O-N 3.1Å; E781-S785 PolarHBondContact O-OG 3.43Å; I782-S785 PolarHBondContact O-N 3.03Å; I782-S785 PolarHBondContact O-OG 3.14Å
786K85.2Confident81.9Confident102 Ų10254.3 Ų54.344%0.44327%0.271SS..  trans-134.871177.9-67.2-165.2-179.4-175.70112.5T742 I782 L783 E788 L789T742-K786 HydrophobicContact CG2-CD 3.95Å; I782-K786 PolarHBondContact O-N 3.42Å; L783-K786 CarbonylContact O-C 3.49Å; L783-K786 VanDerWaalsContact O-C 3.3Å; K786-E788 WeakPolarHBondContact CA-OE1 3.39Å; K786-E788 WeakPolarHBondContact CB-OE1 3.38Å; K786-E788 WeakPolarHBondContact CG-OE1 3.45Å; K786-E788 PolarHBondContact O-N 3.09Å; K786-L789 HydrophobicContact CB-CB 4.5Å; K786-L789 VanDerWaalsContact O-CB 3.24Å; K786-L789 WeakPolarHBondContact O-CB 3.34Å; K786-L789 PolarHBondContact O-N 3.23Å; K786-L789 VanDerWaalsContact O-N 3.15Å
787P82.6Confident80.3Confident36 Ų3654.2 Ų54.223%0.23427%0.269CS..THydrogen-bonded Turntrans-64.4-24.9-179.326.6-35.5000112.6L783 L789 F791L783-P787 WeakPolarHBondContact O-CA 3.31Å; L783-P787 WeakPolarHBondContact O-CD 3.48Å; P787-L789 PolarHBondContact O-N 2.87Å; P787-F791 WeakPolarHBondContact O-CD2 3.49Å; P787-F791 PolarHBondContact O-N 3.25Å; P787-F791 VanDerWaalsContact O-N 3.11Å
788E82.8Confident78.3Confident91 Ų9161.3 Ų61.343%0.42530%0.298SS..Hα-helixtrans-60-27.2175.963.7-77.2174.500113.3K786 I790 R792 K793K786-E788 WeakPolarHBondContact CA-OE1 3.39Å; K786-E788 WeakPolarHBondContact CB-OE1 3.38Å; K786-E788 WeakPolarHBondContact CG-OE1 3.45Å; K786-E788 PolarHBondContact O-N 3.09Å; E788-I790 PolarHBondContact O-N 3.49Å; E788-I790 VanDerWaalsContact O-N 3.14Å; E788-R792 HydrophobicContact CB-CB 4.23Å; E788-R792 CarbonylContact O-C 3.3Å; E788-R792 PolarHBondContact O-N 2.81Å; E788-K793 WeakPolarHBondContact O-CA 3.43Å; E788-K793 VanDerWaalsContact O-CB 3.27Å; E788-K793 WeakPolarHBondContact O-CB 3.28Å; E788-K793 PolarHBondContact O-N 3.11Å
789L82.5Confident76.2Confident8 Ų864.9 Ų64.94%0.04234%0.335CS..Hα-helixtrans-52.7-39.7-176.9-176.166.6000113A745 D746 I782 K786 P787A745-L789 HydrophobicContact CB-CD1 4.46Å; A745-L789 HydrophobicContact CB-CD2 3.81Å; D746-L789 HydrophobicContact CB-CD1 3.83Å; I782-L789 HydrophobicContact CG2-CD2 4.37Å; K786-L789 HydrophobicContact CB-CB 4.5Å; K786-L789 VanDerWaalsContact O-CB 3.24Å; K786-L789 WeakPolarHBondContact O-CB 3.34Å; K786-L789 PolarHBondContact O-N 3.23Å; K786-L789 VanDerWaalsContact O-N 3.15Å; P787-L789 PolarHBondContact O-N 2.87Å
790I83.3Confident74.1Confident4 Ų466 Ų662%0.02134%0.343CS..Hα-helixtrans-116-39.8-177.4-50.9-167.5000111.9V774 I775 L783 E788 I809 L836V774-I790 HydrophobicContact CG1-CD1 4.28Å; I775-I790 HydrophobicContact CG1-CD1 4.43Å; I775-I790 HydrophobicContact CG1-CG2 3.88Å; L783-I790 HydrophobicContact CD2-CD1 3.45Å; L783-I790 VanDerWaalsContact CD2-CD1 3.45Å; L783-I790 HydrophobicContact CD2-CG1 3.83Å; E788-I790 PolarHBondContact O-N 3.49Å; E788-I790 VanDerWaalsContact O-N 3.14Å; I790-I809 HydrophobicContact CG2-CD1 4.32Å; I790-I809 WeakPolarHBondContact O-CD1 3.14Å; I790-L836 HydrophobicContact CG2-CD1 3.3Å
791F81.9Confident72Confident42 Ų4271 Ų7118%0.18438%0.376CS..Hα-helixtrans-89.8-26.6-169.6-61.3-66.3000114.7P787 L836 R839 F840 L843P787-F791 WeakPolarHBondContact O-CD2 3.49Å; P787-F791 PolarHBondContact O-N 3.25Å; P787-F791 VanDerWaalsContact O-N 3.11Å; F791-L836 HydrophobicContact CD1-CD1 3.89Å; F791-L836 HydrophobicContact CE1-CD1 3.52Å; F791-L836 HydrophobicContact CE1-CG 4.2Å; F791-L836 HydrophobicContact CZ-CD1 4.36Å; F791-R839 HydrophobicContact CZ-CB 4.21Å; F791-F840 HydrophobicContact CD1-CB 4.32Å; F791-F840 AromaticContact CD1-CD2 3.84Å; F791-F840 HydrophobicContact CD1-CD2 3.84Å; F791-F840 HydrophobicContact CE1-CB 3.57Å; F791-F840 AromaticContact CE1-CD2 3.86Å; F791-F840 HydrophobicContact CE1-CD2 3.86Å; F791-F840 HydrophobicContact CE1-CG 4.2Å; F791-F840 HydrophobicContact CG-CD2 4.25Å; F791-F840 HydrophobicContact CZ-CB 3.95Å; F791-F840 HydrophobicContact CZ-CD2 4.27Å; F791-L843 HydrophobicContact CE2-CD1 4.03Å
792R68.6Low70Confident209 Ų20971 Ų7179%0.78937%0.374SS*.THydrogen-bonded Turntrans-126.6-0.9-174.9-65.2-175.5175.8166.4-1.9114.7E788 S794E788-R792 HydrophobicContact CB-CB 4.23Å; E788-R792 CarbonylContact O-C 3.3Å; E788-R792 PolarHBondContact O-N 2.81Å; R792-S794 PolarHBondContact O-N 3.03Å; R792-S794 VanDerWaalsContact O-N 3.1Å
793K71.1Confident68.4Low34 Ų3473.3 Ų73.315%0.14839%0.392CS..  trans-63.4117.1179.6-171.2160.2172.1-178.30109.3D746 I749 N750 E788 V795D746-K793 PolarHBondContact O-NZ 3.37Å; D746-K793 IonicContact OD1-NZ 3.5Å; D746-K793 PolarHBondContact OD1-NZ 3.21Å; I749-K793 HydrophobicContact CB-CD 4.49Å; I749-K793 HydrophobicContact CG2-CD 3.75Å; I749-K793 HydrophobicContact CG2-CG 4.49Å; N750-K793 WeakPolarHBondContact OD1-CE 3.46Å; N750-K793 PolarHBondContact OD1-NZ 3.41Å; E788-K793 WeakPolarHBondContact O-CA 3.43Å; E788-K793 VanDerWaalsContact O-CB 3.27Å; E788-K793 WeakPolarHBondContact O-CB 3.28Å; E788-K793 PolarHBondContact O-N 3.11Å; K793-V795 PolarHBondContact O-N 3.44Å; K793-V795 VanDerWaalsContact O-N 3.15Å
794S66.1Low66.9Low47 Ų4777.8 Ų77.833%0.32942%0.423SS..  trans-68.7107172.7176.30000108.7R792 F796 N807R792-S794 PolarHBondContact O-N 3.03Å; R792-S794 VanDerWaalsContact O-N 3.1Å; S794-F796 PolarHBondContact O-N 3.31Å; S794-N807 CarbonylContact C-O 3.3Å; S794-N807 VanDerWaalsContact CA-O 3.31Å; S794-N807 WeakPolarHBondContact CA-O 3.23Å
795V66.9Low65.4Low6 Ų681.4 Ų81.44%0.03644%0.437CS..  trans-81.8100.4167.2-174.90000106.7I752 P753 K793 L797 N807 I809I752-V795 HydrophobicContact CB-CG1 4.03Å; I752-V795 HydrophobicContact CD1-CG2 4.35Å; I752-V795 HydrophobicContact CG2-CG1 3.68Å; P753-V795 HydrophobicContact CG-CG1 3.87Å; K793-V795 PolarHBondContact O-N 3.44Å; K793-V795 VanDerWaalsContact O-N 3.15Å; V795-L797 VanDerWaalsContact C-N 3.28Å; V795-L797 HydrophobicContact CG1-CD2 3.74Å; V795-L797 HydrophobicContact CG1-CG 3.99Å; V795-L797 PolarHBondContact O-N 3.17Å; V795-N807 PolarHBondContact N-O 3.04Å; V795-N807 WeakPolarHBondContact O-CB 3.15Å; V795-I809 HydrophobicContact CG2-CG1 3.82Å
796F62.9Low64.1Low154 Ų15481.3 Ų81.368%0.67543%0.428SS*.  trans-68.188.5173.5-71-80.5000109.8S794 F798S794-F796 PolarHBondContact O-N 3.31Å; F796-F798 PolarHBondContact O-N 3.18Å
797L56.8Low63.5Low27 Ų2777 Ų7714%0.14141%0.41CS..  trans-76.8109.5171.8-62.3170.7000107.6I752 H756 V795 G799 S800 W812I752-L797 HydrophobicContact CG2-CD2 4.43Å; H756-L797 HydrophobicContact CB-CD2 4.37Å; V795-L797 VanDerWaalsContact C-N 3.28Å; V795-L797 HydrophobicContact CG1-CD2 3.74Å; V795-L797 HydrophobicContact CG1-CG 3.99Å; V795-L797 PolarHBondContact O-N 3.17Å; L797-G799 PolarHBondContact O-N 3.03Å; L797-G799 VanDerWaalsContact O-N 3.13Å; L797-S800 PolarHBondContact O-N 3.31Å; L797-W812 HydrophobicContact CD1-CB 4.35Å
798F50.2Low63.6Low172 Ų17276.7 Ų76.775%0.75441%0.407SS*.THydrogen-bonded Turntrans-50.7121177.8-81.1-85000110.9R757 F796R757-F798 PolarHBondContact NH1-O 2.93Å; F796-F798 PolarHBondContact O-N 3.18Å
799G48.7Very low63.9Low76 Ų7672.4 Ų72.478%0.78439%0.387SS*.THydrogen-bonded Turntrans105.6-3.6179.400000116.1L797L797-G799 PolarHBondContact O-N 3.03Å; L797-G799 VanDerWaalsContact O-N 3.13Å
800S44.2Very low64.2Low41 Ų4174.5 Ų74.529%0.28740%0.402SS..  trans-90.1103.2168.7173.50000110.3L797 K802 N807L797-S800 PolarHBondContact O-N 3.31Å; S800-K802 PolarHBondContact O-N 3.49Å; S800-K802 PolarHBondContact OG-N 3.22Å; S800-N807 PolarHBondContact OG-OD1 3.31Å
801T44Very low64.4Low149 Ų14976.2 Ų76.291%0.91441%0.414SS*.  trans-86.216.8166.644.50000112.3
802K46.5Very low64.8Low136 Ų13674.5 Ų74.559%0.59141%0.407SS*.SBendtrans-101.1164.7-175.1-70.2-177176.6-177.30112.1S800 E806S800-K802 PolarHBondContact O-N 3.49Å; S800-K802 PolarHBondContact OG-N 3.22Å; K802-E806 WeakPolarHBondContact CB-OE2 3.43Å; K802-E806 WeakPolarHBondContact CD-OE2 3.32Å
803S53.4Low65.9Low70 Ų7064.6 Ų64.649%0.4937%0.369SS..  trans-46154.8-169.671.50000115.1I805 E806S803-I805 PolarHBondContact O-N 2.67Å; S803-E806 PolarHBondContact O-N 2.99Å
804S54.2Low66.9Low94 Ų9469 Ų6966%0.65739%0.388SS*.THydrogen-bonded Turntrans-55-21.8-177.367.70000115N807S804-N807 PolarHBondContact O-N 3.09Å
805I54.1Low68Low128 Ų12869.7 Ų69.766%0.65639%0.394SS*.THydrogen-bonded Turntrans-71.9-32.5-179.4-62.9168000111.7S803 N807 T808S803-I805 PolarHBondContact O-N 2.67Å; I805-N807 VanDerWaalsContact C-N 3.27Å; I805-N807 PolarHBondContact O-N 3.32Å; I805-T808 WeakPolarHBondContact O-CG2 3.28Å; I805-T808 PolarHBondContact O-OG1 3.49Å; I805-T808 VanDerWaalsContact O-OG1 3.07Å
806E59.7Low69.2Low81 Ų8170 Ų7038%0.37940%0.396SS..THydrogen-bonded Turntrans-75-17.8179.8-68.8-173-175.300112.7K802 S803 T808 S811K802-E806 WeakPolarHBondContact CB-OE2 3.43Å; K802-E806 WeakPolarHBondContact CD-OE2 3.32Å; S803-E806 PolarHBondContact O-N 2.99Å; E806-T808 VanDerWaalsContact C-N 3.27Å; E806-T808 PolarHBondContact O-N 3.11Å; E806-S811 WeakPolarHBondContact O-CB 3.48Å; E806-S811 PolarHBondContact O-OG 3.46Å
807N73.6Confident70.5Confident13 Ų1363.9 Ų63.97%0.0737%0.372CS..THydrogen-bonded Turntrans-91.734.1-179.6-68.8-16.4000112.2S794 V795 S800 S804 I805S794-N807 CarbonylContact C-O 3.3Å; S794-N807 VanDerWaalsContact CA-O 3.31Å; S794-N807 WeakPolarHBondContact CA-O 3.23Å; V795-N807 PolarHBondContact N-O 3.04Å; V795-N807 WeakPolarHBondContact O-CB 3.15Å; S800-N807 PolarHBondContact OG-OD1 3.31Å; S804-N807 PolarHBondContact O-N 3.09Å; I805-N807 VanDerWaalsContact C-N 3.27Å; I805-N807 PolarHBondContact O-N 3.32Å
808T84.4Confident72.1Confident29 Ų2968.9 Ų68.918%0.17840%0.398CS..SBendtrans-103.1156.4178.355.90000111.3I805 E806 S810 S811 W812I805-T808 WeakPolarHBondContact O-CG2 3.28Å; I805-T808 PolarHBondContact O-OG1 3.49Å; I805-T808 VanDerWaalsContact O-OG1 3.07Å; E806-T808 VanDerWaalsContact C-N 3.27Å; E806-T808 PolarHBondContact O-N 3.11Å; T808-S810 PolarHBondContact O-N 2.98Å; T808-S811 PolarHBondContact O-N 3.47Å; T808-S811 VanDerWaalsContact O-N 3.17Å; T808-S811 WeakPolarHBondContact OG1-CB 3.22Å; T808-S811 PolarHBondContact OG1-N 3.38Å; T808-W812 PolarHBondContact O-N 3.26Å
809I88.3Confident73.8Confident1 Ų164.7 Ų64.71%0.00539%0.391CS..Hα-helixtrans-55.6-39.8172.8-58.3177.7000110.5I749 I752 V771 I775 I790 V795 W812 L813I749-I809 HydrophobicContact CD1-CD1 4.01Å; I749-I809 HydrophobicContact CG1-CD1 4.36Å; I749-I809 HydrophobicContact CG2-CD1 3.7Å; I749-I809 HydrophobicContact CG2-CG1 4.41Å; I752-I809 HydrophobicContact CD1-CD1 4.49Å; I752-I809 HydrophobicContact CD1-CG1 4.19Å; V771-I809 HydrophobicContact CG1-CG2 4.1Å; I775-I809 HydrophobicContact CD1-CG2 4.44Å; I790-I809 HydrophobicContact CG2-CD1 4.32Å; I790-I809 WeakPolarHBondContact O-CD1 3.14Å; V795-I809 HydrophobicContact CG2-CG1 3.82Å; I809-W812 HydrophobicContact CG2-CE3 4.32Å; I809-W812 PolarHBondContact O-N 3.08Å; I809-L813 HydrophobicContact CG2-CD1 3.9Å; I809-L813 HydrophobicContact CG2-CG 4.21Å; I809-L813 WeakPolarHBondContact O-CB 3.37Å; I809-L813 VanDerWaalsContact O-CG 3.29Å; I809-L813 WeakPolarHBondContact O-CG 3.48Å; I809-L813 PolarHBondContact O-N 3.19Å
810S88.7Confident75.7Confident51 Ų5162 Ų6236%0.35736%0.358SS..Hα-helixtrans-60.6-47.4176.6-179.40000112.6T808 W812 L813 K814T808-S810 PolarHBondContact O-N 2.98Å; S810-W812 PolarHBondContact O-N 3.3Å; S810-L813 PolarHBondContact O-N 3.13Å; S810-K814 WeakPolarHBondContact O-CB 3.49Å; S810-K814 PolarHBondContact O-N 2.83Å
811S87.6Confident77.5Confident40 Ų4062.7 Ų62.728%0.2837%0.366SS..Hα-helixtrans-61.4-43.9176.5177.70000111.8E806 T808 K814 S815E806-S811 WeakPolarHBondContact O-CB 3.48Å; E806-S811 PolarHBondContact O-OG 3.46Å; T808-S811 PolarHBondContact O-N 3.47Å; T808-S811 VanDerWaalsContact O-N 3.17Å; T808-S811 WeakPolarHBondContact OG1-CB 3.22Å; T808-S811 PolarHBondContact OG1-N 3.38Å; S811-K814 PolarHBondContact O-N 3.19Å; S811-S815 WeakPolarHBondContact O-CB 3.5Å; S811-S815 PolarHBondContact O-N 3.04Å
812W90.2Very high79.5Confident7 Ų755.9 Ų55.93%0.02732%0.324CS..Hα-helixtrans-60.6-51175.6170.461.2000112.1I752 H756 L767 H768 V771 L797 T808 I809 S810 K814 S815 C816I752-W812 HydrophobicContact CD1-CE3 4.05Å; I752-W812 HydrophobicContact CD1-CZ3 3.97Å; I752-W812 HydrophobicContact CG1-CH2 4.37Å; I752-W812 HydrophobicContact CG1-CZ3 4.19Å; I752-W812 HydrophobicContact CG2-CD2 3.73Å; I752-W812 HydrophobicContact CG2-CE3 4.01Å; I752-W812 HydrophobicContact CG2-CG 4.2Å; I752-W812 HydrophobicContact CG2-CH2 4.32Å; I752-W812 HydrophobicContact CG2-CZ2 4.08Å; I752-W812 HydrophobicContact CG2-CZ3 4.3Å; H756-W812 HydrophobicContact CB-CZ2 4.49Å; L767-W812 HydrophobicContact CD2-CH2 3.93Å; L767-W812 HydrophobicContact CD2-CZ2 3.65Å; L767-W812 HydrophobicContact CG-CH2 4.13Å; L767-W812 HydrophobicContact CG-CZ2 4.34Å; H768-W812 AromaticContact CE1-CH2 3.48Å; H768-W812 VanDerWaalsContact CE1-CH2 3.48Å; H768-W812 WeakPolarHBondContact CE1-CH2 3.34Å; H768-W812 AromaticContact CE1-CZ2 3.33Å; H768-W812 WeakPolarHBondContact CE1-CZ2 3.27Å; H768-W812 AromaticContact ND1-CH2 3.38Å; H768-W812 WeakPolarHBondContact ND1-CH2 3.4Å; H768-W812 AromaticContact ND1-CZ2 3.74Å; V771-W812 HydrophobicContact CB-CZ3 4.16Å; V771-W812 HydrophobicContact CG1-CZ3 3.97Å; V771-W812 HydrophobicContact CG2-CH2 4.13Å; V771-W812 HydrophobicContact CG2-CZ3 3.98Å; L797-W812 HydrophobicContact CD1-CB 4.35Å; T808-W812 PolarHBondContact O-N 3.26Å; I809-W812 HydrophobicContact CG2-CE3 4.32Å; I809-W812 PolarHBondContact O-N 3.08Å; S810-W812 PolarHBondContact O-N 3.3Å; W812-K814 VanDerWaalsContact C-N 3.31Å; W812-K814 PolarHBondContact O-N 2.63Å; W812-S815 WeakPolarHBondContact O-CB 3.42Å; W812-S815 PolarHBondContact O-N 3.48Å; W812-S815 VanDerWaalsContact O-N 3.16Å; W812-C816 PolarHBondContact NE1-SG 3.1Å; W812-C816 PolarHBondContact O-N 2.93Å
813L92.4Very high81.4Confident0 Ų052.2 Ų52.20%032%0.32CS..Hα-helixtrans-59.5-42.4178-71.7173.6000111.7I775 I809 S810 C816 S817 A829 L833 L836I775-L813 HydrophobicContact CD1-CD1 4.06Å; I809-L813 HydrophobicContact CG2-CD1 3.9Å; I809-L813 HydrophobicContact CG2-CG 4.21Å; I809-L813 WeakPolarHBondContact O-CB 3.37Å; I809-L813 VanDerWaalsContact O-CG 3.29Å; I809-L813 WeakPolarHBondContact O-CG 3.48Å; I809-L813 PolarHBondContact O-N 3.19Å; S810-L813 PolarHBondContact O-N 3.13Å; L813-C816 PolarHBondContact O-N 2.92Å; L813-S817 WeakPolarHBondContact O-CB 3.35Å; L813-S817 PolarHBondContact O-N 3.28Å; L813-S817 PolarHBondContact O-OG 3.31Å; L813-A829 HydrophobicContact CD2-CB 4.29Å; L813-L833 HydrophobicContact CB-CB 4.19Å; L813-L833 HydrophobicContact CB-CD1 4.31Å; L813-L833 HydrophobicContact CD1-CB 4.45Å; L813-L836 HydrophobicContact CD1-CD2 4.43Å
814K91.8Very high83.1Confident126 Ų12652.8 Ų52.855%0.54832%0.315SS..Hα-helixtrans-61.7-45.4175.4-174.4176.4-179.2178.70111.5S810 S811 W812 S817 L818 L833S810-K814 WeakPolarHBondContact O-CB 3.49Å; S810-K814 PolarHBondContact O-N 2.83Å; S811-K814 PolarHBondContact O-N 3.19Å; W812-K814 VanDerWaalsContact C-N 3.31Å; W812-K814 PolarHBondContact O-N 2.63Å; K814-S817 PolarHBondContact O-N 2.94Å; K814-S817 PolarHBondContact O-OG 2.84Å; K814-L818 HydrophobicContact CG-CD1 4.35Å; K814-L818 WeakPolarHBondContact O-CG 3.39Å; K814-L818 PolarHBondContact O-N 3.42Å; K814-L833 HydrophobicContact CB-CD2 4.22Å
815S90.1Very high84.9Confident63 Ų6348.3 Ų48.344%0.44128%0.283SS..Hα-helixtrans-60.7-47.7176.7178.90000111.4S811 W812 S817 L818 S819S811-S815 WeakPolarHBondContact O-CB 3.5Å; S811-S815 PolarHBondContact O-N 3.04Å; W812-S815 WeakPolarHBondContact O-CB 3.42Å; W812-S815 PolarHBondContact O-N 3.48Å; W812-S815 VanDerWaalsContact O-N 3.16Å; S815-S817 PolarHBondContact O-N 3.48Å; S815-L818 PolarHBondContact O-N 3.43Å; S815-S819 WeakPolarHBondContact O-CB 3.36Å; S815-S819 PolarHBondContact O-N 3.15Å; S815-S819 PolarHBondContact O-OG 3.36Å
816C90.4Very high86.7Confident11 Ų1145.5 Ų45.57%0.07427%0.268CS..Hα-helixtrans-61.4-41.9176.9-73.50000112.4W812 L813 L818 S819 D820 A829W812-C816 PolarHBondContact NE1-SG 3.1Å; W812-C816 PolarHBondContact O-N 2.93Å; L813-C816 PolarHBondContact O-N 2.92Å; C816-L818 PolarHBondContact O-N 3.45Å; C816-L818 VanDerWaalsContact O-N 3.15Å; C816-S819 PolarHBondContact O-N 3.08Å; C816-D820 WeakPolarHBondContact O-CB 3.41Å; C816-D820 PolarHBondContact O-N 3.11Å; C816-D820 VanDerWaalsContact O-N 3.08Å; C816-A829 HydrophobicContact CB-CB 3.79Å
817S91.8Very high88.3Confident27 Ų2746.6 Ų46.619%0.18928%0.275CS..Hα-helixtrans-61.1-25179.3730000113.8L813 K814 S815L813-S817 WeakPolarHBondContact O-CB 3.35Å; L813-S817 PolarHBondContact O-N 3.28Å; L813-S817 PolarHBondContact O-OG 3.31Å; K814-S817 PolarHBondContact O-N 2.94Å; K814-S817 PolarHBondContact O-OG 2.84Å; S815-S817 PolarHBondContact O-N 3.48Å
818L89.5Confident89.3Confident131 Ų13148 Ų4869%0.68628%0.283SS*.Hα-helixtrans-102-24.9-177.6-64.4173.8000113.8K814 S815 C816K814-L818 HydrophobicContact CG-CD1 4.35Å; K814-L818 WeakPolarHBondContact O-CG 3.39Å; K814-L818 PolarHBondContact O-N 3.42Å; S815-L818 PolarHBondContact O-N 3.43Å; C816-L818 PolarHBondContact O-N 3.45Å; C816-L818 VanDerWaalsContact O-N 3.15Å
819S86.8Confident89.8Confident85 Ų8546.7 Ų46.759%0.59427%0.274SS*.Hα-helixtrans-132.9-4.3-164.5660000116.3S815 C816S815-S819 WeakPolarHBondContact O-CB 3.36Å; S815-S819 PolarHBondContact O-N 3.15Å; S815-S819 PolarHBondContact O-OG 3.36Å; C816-S819 PolarHBondContact O-N 3.08Å
820D87.6Confident90.1Very high18 Ų1849.5 Ų49.510%0.09629%0.294CS..  trans-66.1144.7173.4-158-63.2000110.1R764 C816 D822 C825 Q826R764-D820 IonicContact CZ-OD1 3.8Å; R764-D820 IonicContact CZ-OD2 2.63Å; R764-D820 IonicContact NE-OD1 2.81Å; R764-D820 PolarHBondContact NE-OD1 3.13Å; R764-D820 IonicContact NE-OD2 3.83Å; R764-D820 PolarHBondContact NE-OD2 3.41Å; R764-D820 IonicContact NH2-OD1 3.79Å; R764-D820 PolarHBondContact NH2-OD1 3.39Å; R764-D820 IonicContact NH2-OD2 3.89Å; C816-D820 WeakPolarHBondContact O-CB 3.41Å; C816-D820 PolarHBondContact O-N 3.11Å; C816-D820 VanDerWaalsContact O-N 3.08Å; D820-D822 VanDerWaalsContact C-N 3.28Å; D820-D822 PolarHBondContact OD1-N 3.35Å; D820-C825 HydrophobicContact CB-CB 4.03Å; D820-Q826 HydrophobicContact CB-CG 4.11Å; D820-Q826 PolarHBondContact O-NE2 2.89Å
821A83.1Confident90.4Very high56 Ų5651.4 Ų51.446%0.46330%0.301SS..SBendtrans-74.2-23.5178.500000112.3T338T338-A821 WeakPolarHBondContact O-CB 3.1Å
822D86.1Confident90.7Very high6 Ų650 Ų503%0.03229%0.29CS..SBendtrans-94.5124.1-179.7-175.669.8000111.9P761 R765 D820 E824 C825 Q826P761-D822 HydrophobicContact CB-CB 4.11Å; R765-D822 IonicContact CZ-OD1 2.65Å; R765-D822 IonicContact CZ-OD2 3.05Å; R765-D822 IonicContact NE-OD1 3.78Å; R765-D822 IonicContact NE-OD2 3.96Å; R765-D822 PolarHBondContact NE-OD2 3.07Å; R765-D822 VanDerWaalsContact NH2-CG 3.32Å; R765-D822 IonicContact NH2-OD1 3.22Å; R765-D822 PolarHBondContact NH2-OD1 3.17Å; R765-D822 IonicContact NH2-OD2 3.92Å; R765-D822 PolarHBondContact NH2-OD2 3.42Å; R765-D822 VanDerWaalsContact NH2-OD2 3.14Å; D820-D822 VanDerWaalsContact C-N 3.28Å; D820-D822 PolarHBondContact OD1-N 3.35Å; D822-E824 VanDerWaalsContact C-N 3.32Å; D822-E824 PolarHBondContact O-N 3.31Å; D822-E824 WeakPolarHBondContact OD2-CB 3.44Å; D822-E824 PolarHBondContact OD2-N 3.34Å; D822-C825 HydrophobicContact CB-CB 4.08Å; D822-C825 WeakPolarHBondContact O-CB 3.26Å; D822-C825 PolarHBondContact O-N 2.82Å; D822-C825 PolarHBondContact OD2-N 3.23Å; D822-Q826 PolarHBondContact O-N 2.63Å; D822-Q826 VanDerWaalsContact O-N 3.07Å
823A86.5Confident90.8Very high60 Ų6051.3 Ų51.350%0.49630%0.298SS..Hα-helixtrans-65.1-32.6-176.700000113.3Q826 L827A823-Q826 PolarHBondContact O-N 3.33Å; A823-L827 PolarHBondContact O-N 2.69Å
824E88.9Confident90.9Very high82 Ų8254.2 Ų54.238%0.38332%0.318SS..Hα-helixtrans-72.1-38.5175.8-73.5174.5-124.300111.5R765 D822 Q826 L827 L828R765-E824 IonicContact CZ-OE1 2.87Å; R765-E824 IonicContact CZ-OE2 2.78Å; R765-E824 IonicContact NE-OE2 3.28Å; R765-E824 IonicContact NH1-OE1 3.68Å; R765-E824 PolarHBondContact NH1-OE1 3.04Å; R765-E824 IonicContact NH1-OE2 3.71Å; R765-E824 PolarHBondContact NH1-OE2 3.47Å; R765-E824 VanDerWaalsContact NH2-CD 3.26Å; R765-E824 IonicContact NH2-OE1 2.74Å; R765-E824 PolarHBondContact NH2-OE1 3.19Å; R765-E824 IonicContact NH2-OE2 3.43Å; D822-E824 VanDerWaalsContact C-N 3.32Å; D822-E824 PolarHBondContact O-N 3.31Å; D822-E824 WeakPolarHBondContact OD2-CB 3.44Å; D822-E824 PolarHBondContact OD2-N 3.34Å; E824-Q826 VanDerWaalsContact C-N 3.31Å; E824-Q826 PolarHBondContact O-N 3.23Å; E824-L827 PolarHBondContact O-N 3.22Å; E824-L828 WeakPolarHBondContact O-CB 3.33Å; E824-L828 VanDerWaalsContact O-CG 3.25Å; E824-L828 WeakPolarHBondContact O-CG 3.46Å; E824-L828 PolarHBondContact O-N 3.05Å
825C91.6Very high90.9Very high0 Ų048.4 Ų48.40%029%0.294CS..Hα-helixtrans-57.1-45.3169.7-73.40000111.6R765 D820 D822 L827 L828 A829R765-C825 WeakPolarHBondContact CG-SG 3.29Å; D820-C825 HydrophobicContact CB-CB 4.03Å; D822-C825 HydrophobicContact CB-CB 4.08Å; D822-C825 WeakPolarHBondContact O-CB 3.26Å; D822-C825 PolarHBondContact O-N 2.82Å; D822-C825 PolarHBondContact OD2-N 3.23Å; C825-L827 VanDerWaalsContact C-N 3.33Å; C825-L827 PolarHBondContact O-N 2.97Å; C825-L828 PolarHBondContact O-N 3.14Å; C825-A829 VanDerWaalsContact O-CB 3.22Å; C825-A829 WeakPolarHBondContact O-CB 3.33Å; C825-A829 PolarHBondContact O-N 3.4Å
826Q92.6Very high91Very high69 Ų6945.9 Ų45.932%0.32228%0.275SS..Hα-helixtrans-58.5-45.6176.6-67.8179.7-6.700111.7D820 D822 A823 E824 A829 S830D820-Q826 HydrophobicContact CB-CG 4.11Å; D820-Q826 PolarHBondContact O-NE2 2.89Å; D822-Q826 PolarHBondContact O-N 2.63Å; D822-Q826 VanDerWaalsContact O-N 3.07Å; A823-Q826 PolarHBondContact O-N 3.33Å; E824-Q826 VanDerWaalsContact C-N 3.31Å; E824-Q826 PolarHBondContact O-N 3.23Å; Q826-A829 PolarHBondContact O-N 3.49Å; Q826-S830 WeakPolarHBondContact O-CB 3.33Å; Q826-S830 PolarHBondContact O-N 2.71Å
827L93Very high91.1Very high103 Ų10348.7 Ų48.754%0.53929%0.294SS..Hα-helixtrans-64.1-48.3178.5-179.463.8000112.1A823 E824 C825 A829 S830 N831A823-L827 PolarHBondContact O-N 2.69Å; E824-L827 PolarHBondContact O-N 3.22Å; C825-L827 VanDerWaalsContact C-N 3.33Å; C825-L827 PolarHBondContact O-N 2.97Å; L827-A829 VanDerWaalsContact C-N 3.29Å; L827-A829 PolarHBondContact O-N 3.44Å; L827-S830 PolarHBondContact O-N 3.05Å; L827-N831 PolarHBondContact O-N 2.94Å
828L94.8Very high91Very high44 Ų4452 Ų5223%0.2331%0.307CS..Hα-helixtrans-61.9-38.8178.1-71170000111.5R765 H768 I769 E824 C825 S832R765-L828 HydrophobicContact CB-CD1 4.07Å; R765-L828 HydrophobicContact CG-CD1 4.3Å; H768-L828 HydrophobicContact CB-CB 3.81Å; H768-L828 HydrophobicContact CB-CD1 4.26Å; I769-L828 HydrophobicContact CG1-CD1 4.1Å; I769-L828 HydrophobicContact CG1-CD2 4.26Å; E824-L828 WeakPolarHBondContact O-CB 3.33Å; E824-L828 VanDerWaalsContact O-CG 3.25Å; E824-L828 WeakPolarHBondContact O-CG 3.46Å; E824-L828 PolarHBondContact O-N 3.05Å; C825-L828 PolarHBondContact O-N 3.14Å; L828-S832 VanDerWaalsContact O-CB 3.28Å; L828-S832 WeakPolarHBondContact O-CB 2.93Å; L828-S832 PolarHBondContact O-N 2.92Å; L828-S832 PolarHBondContact O-OG 3.07Å
829A94.2Very high91Very high0 Ų047 Ų470%028%0.279CS..Hα-helixtrans-65.6-43.6175.800000111.7L813 C816 C825 Q826 L827 S832 L833L813-A829 HydrophobicContact CD2-CB 4.29Å; C816-A829 HydrophobicContact CB-CB 3.79Å; C825-A829 VanDerWaalsContact O-CB 3.22Å; C825-A829 WeakPolarHBondContact O-CB 3.33Å; C825-A829 PolarHBondContact O-N 3.4Å; Q826-A829 PolarHBondContact O-N 3.49Å; L827-A829 VanDerWaalsContact C-N 3.29Å; L827-A829 PolarHBondContact O-N 3.44Å; A829-S832 PolarHBondContact O-N 2.86Å; A829-L833 WeakPolarHBondContact O-CB 3.37Å; A829-L833 PolarHBondContact O-N 3.15Å
830S94.2Very high91.1Very high60 Ų6047.7 Ų47.742%0.4227%0.271SS..Hα-helixtrans-61.6-47.3175.7-174.90000112.1Q826 L827 S832 L833 S834Q826-S830 WeakPolarHBondContact O-CB 3.33Å; Q826-S830 PolarHBondContact O-N 2.71Å; L827-S830 PolarHBondContact O-N 3.05Å; S830-S832 PolarHBondContact O-N 3.06Å; S830-L833 WeakPolarHBondContact O-CB 3.28Å; S830-L833 PolarHBondContact O-N 3.29Å; S830-S834 PolarHBondContact O-N 3.07Å
831N94.7Very high91.1Very high92 Ų9251.5 Ų51.549%0.49229%0.291SS..Hα-helixtrans-62.8-42177.5-70.6-14.8000111.9L827 L833 S834 A835L827-N831 PolarHBondContact O-N 2.94Å; N831-L833 VanDerWaalsContact C-N 3.31Å; N831-L833 PolarHBondContact O-N 3.23Å; N831-S834 PolarHBondContact O-N 3.31Å; N831-A835 WeakPolarHBondContact O-CB 3.26Å; N831-A835 PolarHBondContact O-N 3.4Å
832S94Very high91.3Very high9 Ų952.5 Ų52.56%0.06329%0.286CS..Hα-helixtrans-65.7-35.6176.7-59.70000111.8G772 L828 A829 S830 L836G772-S832 WeakPolarHBondContact CA-OG 3.27Å; L828-S832 VanDerWaalsContact O-CB 3.28Å; L828-S832 WeakPolarHBondContact O-CB 2.93Å; L828-S832 PolarHBondContact O-N 2.92Å; L828-S832 PolarHBondContact O-OG 3.07Å; A829-S832 PolarHBondContact O-N 2.86Å; S830-S832 PolarHBondContact O-N 3.06Å; S832-L836 WeakPolarHBondContact O-CB 3.34Å; S832-L836 PolarHBondContact O-N 3.25Å
833L93.4Very high91.3Very high35 Ų3552.4 Ų52.418%0.18329%0.286CS..Hα-helixtrans-67.9-42.1175.2-176.163000111.5L813 K814 A829 S830 N831 L836 C837L813-L833 HydrophobicContact CB-CB 4.19Å; L813-L833 HydrophobicContact CB-CD1 4.31Å; L813-L833 HydrophobicContact CD1-CB 4.45Å; K814-L833 HydrophobicContact CB-CD2 4.22Å; A829-L833 WeakPolarHBondContact O-CB 3.37Å; A829-L833 PolarHBondContact O-N 3.15Å; S830-L833 WeakPolarHBondContact O-CB 3.28Å; S830-L833 PolarHBondContact O-N 3.29Å; N831-L833 VanDerWaalsContact C-N 3.31Å; N831-L833 PolarHBondContact O-N 3.23Å; L833-L836 HydrophobicContact CD1-CD2 4.47Å; L833-L836 WeakPolarHBondContact O-CB 3.39Å; L833-L836 PolarHBondContact O-N 3.25Å; L833-C837 PolarHBondContact O-N 3.03Å; L833-C837 PolarHBondContact O-SG 3.12Å; L833-C837 VanDerWaalsContact O-SG 3.37Å
834S93.7Very high91.1Very high61 Ų6152.4 Ų52.443%0.42728%0.277SS..Hα-helixtrans-59.5-49.1173.3-167.40000111S830 N831 L836 C837 E838S830-S834 PolarHBondContact O-N 3.07Å; N831-S834 PolarHBondContact O-N 3.31Å; S834-L836 VanDerWaalsContact C-N 3.26Å; S834-L836 PolarHBondContact O-N 3.19Å; S834-C837 WeakPolarHBondContact O-CB 3.43Å; S834-C837 PolarHBondContact O-N 3.1Å; S834-C837 VanDerWaalsContact O-N 3.11Å; S834-E838 WeakPolarHBondContact O-CG 3.43Å; S834-E838 PolarHBondContact O-N 2.85Å
835A92.7Very high90.7Very high5 Ų554.3 Ų54.34%0.04129%0.286CS..Hα-helixtrans-60.1-36.9176.900000112.2I775 T776 N831 E838 R839I775-A835 HydrophobicContact CG2-CB 4.12Å; T776-A835 HydrophobicContact CG2-CB 3.74Å; N831-A835 WeakPolarHBondContact O-CB 3.26Å; N831-A835 PolarHBondContact O-N 3.4Å; A835-E838 PolarHBondContact O-N 3.18Å; A835-R839 VanDerWaalsContact O-CG 3.26Å; A835-R839 WeakPolarHBondContact O-CG 3.3Å; A835-R839 PolarHBondContact O-N 3.4Å
836L91.9Very high89.8Confident10 Ų1057.2 Ų57.25%0.05231%0.306CS..Hα-helixtrans-63.1-43.3175.8-178.564.6000111.7I775 I790 F791 L813 S832 L833 S834 R839 F840I775-L836 HydrophobicContact CD1-CB 4.41Å; I775-L836 HydrophobicContact CD1-CD1 4.48Å; I775-L836 HydrophobicContact CG1-CD1 4.44Å; I775-L836 HydrophobicContact CG2-CB 4.18Å; I775-L836 HydrophobicContact CG2-CD1 4.34Å; I790-L836 HydrophobicContact CG2-CD1 3.3Å; F791-L836 HydrophobicContact CD1-CD1 3.89Å; F791-L836 HydrophobicContact CE1-CD1 3.52Å; F791-L836 HydrophobicContact CE1-CG 4.2Å; F791-L836 HydrophobicContact CZ-CD1 4.36Å; L813-L836 HydrophobicContact CD1-CD2 4.43Å; S832-L836 WeakPolarHBondContact O-CB 3.34Å; S832-L836 PolarHBondContact O-N 3.25Å; L833-L836 HydrophobicContact CD1-CD2 4.47Å; L833-L836 WeakPolarHBondContact O-CB 3.39Å; L833-L836 PolarHBondContact O-N 3.25Å; S834-L836 VanDerWaalsContact C-N 3.26Å; S834-L836 PolarHBondContact O-N 3.19Å; L836-R839 PolarHBondContact O-N 2.88Å; L836-F840 PolarHBondContact O-N 3.41Å
837C91.3Very high88.3Confident70 Ų7060.3 Ų60.347%0.47332%0.319SS..Hα-helixtrans-63.2-44.1176.2-68.90000111.7L833 S834 R839 F840 L841L833-C837 PolarHBondContact O-N 3.03Å; L833-C837 PolarHBondContact O-SG 3.12Å; L833-C837 VanDerWaalsContact O-SG 3.37Å; S834-C837 WeakPolarHBondContact O-CB 3.43Å; S834-C837 PolarHBondContact O-N 3.1Å; S834-C837 VanDerWaalsContact O-N 3.11Å; C837-R839 PolarHBondContact O-N 2.71Å; C837-F840 WeakPolarHBondContact O-CB 3.45Å; C837-F840 PolarHBondContact O-N 2.95Å; C837-L841 WeakPolarHBondContact O-CG 3.5Å; C837-L841 PolarHBondContact O-N 3.03Å
838E91Very high86.4Confident95 Ų9565.3 Ų65.344%0.44434%0.339SS..Hα-helixtrans-58.1-48.5175.5-71.8165.3-163.800111.4S834 A835 F840 L841 E842S834-E838 WeakPolarHBondContact O-CG 3.43Å; S834-E838 PolarHBondContact O-N 2.85Å; A835-E838 PolarHBondContact O-N 3.18Å; E838-F840 VanDerWaalsContact C-N 3.27Å; E838-F840 PolarHBondContact O-N 3.34Å; E838-L841 PolarHBondContact O-N 2.91Å; E838-L841 VanDerWaalsContact O-N 3.13Å; E838-E842 WeakPolarHBondContact O-CG 3.27Å; E838-E842 PolarHBondContact O-N 2.8Å
839R89.4Confident86Confident28 Ų2866.4 Ų66.411%0.10635%0.345CS..Hα-helixtrans-62.9-33.1177.9-66.1-63.9-70.8163.9-4.8112.8I775 T778 F791 A835 L836 C837 E842 L843I775-R839 HydrophobicContact CG2-CG 4.26Å; I775-R839 WeakPolarHBondContact O-CG 3.28Å; T778-R839 PolarHBondContact O-NH2 2.97Å; F791-R839 HydrophobicContact CZ-CB 4.21Å; A835-R839 VanDerWaalsContact O-CG 3.26Å; A835-R839 WeakPolarHBondContact O-CG 3.3Å; A835-R839 PolarHBondContact O-N 3.4Å; L836-R839 PolarHBondContact O-N 2.88Å; C837-R839 PolarHBondContact O-N 2.71Å; R839-E842 WeakPolarHBondContact CD-OE2 3.36Å; R839-E842 IonicContact CZ-OE2 3.18Å; R839-E842 IonicContact NE-OE2 2.73Å; R839-E842 IonicContact NH1-OE2 2.74Å; R839-E842 PolarHBondContact NH1-OE2 3.31Å; R839-L843 WeakPolarHBondContact O-CB 3.28Å; R839-L843 PolarHBondContact O-N 3.15Å; R839-L843 VanDerWaalsContact O-N 3.11Å
840F88.2Confident85.5Confident98 Ų9869.9 Ų69.943%0.4336%0.363SS..Hα-helixtrans-65.9-42.8174.4-175.8-104.7000111.8F791 L836 C837 E838 L843 N844F791-F840 HydrophobicContact CD1-CB 4.32Å; F791-F840 AromaticContact CD1-CD2 3.84Å; F791-F840 HydrophobicContact CD1-CD2 3.84Å; F791-F840 HydrophobicContact CE1-CB 3.57Å; F791-F840 AromaticContact CE1-CD2 3.86Å; F791-F840 HydrophobicContact CE1-CD2 3.86Å; F791-F840 HydrophobicContact CE1-CG 4.2Å; F791-F840 HydrophobicContact CG-CD2 4.25Å; F791-F840 HydrophobicContact CZ-CB 3.95Å; F791-F840 HydrophobicContact CZ-CD2 4.27Å; L836-F840 PolarHBondContact O-N 3.41Å; C837-F840 WeakPolarHBondContact O-CB 3.45Å; C837-F840 PolarHBondContact O-N 2.95Å; E838-F840 VanDerWaalsContact C-N 3.27Å; E838-F840 PolarHBondContact O-N 3.34Å; F840-L843 PolarHBondContact O-N 2.87Å; F840-N844 WeakPolarHBondContact CD1-ND2 3.41Å; F840-N844 WeakPolarHBondContact CE1-ND2 3.44Å; F840-N844 VanDerWaalsContact CZ-ND2 3.35Å; F840-N844 WeakPolarHBondContact CZ-ND2 3.33Å; F840-N844 PolarHBondContact O-N 2.88Å; F840-N844 VanDerWaalsContact O-N 3.11Å; F840-N844 PolarHBondContact O-ND2 3.04Å
841L88.5Confident85.1Confident99 Ų9970.4 Ų70.452%0.51836%0.36SS..Hα-helixtrans-64.9-46.1176.9-67.6174.4000111.3C837 E838 L843 N844 H845C837-L841 WeakPolarHBondContact O-CG 3.5Å; C837-L841 PolarHBondContact O-N 3.03Å; E838-L841 PolarHBondContact O-N 2.91Å; E838-L841 VanDerWaalsContact O-N 3.13Å; L841-L843 VanDerWaalsContact C-N 3.3Å; L841-L843 PolarHBondContact O-N 3.47Å; L841-N844 PolarHBondContact O-N 3.22Å; L841-N844 VanDerWaalsContact O-N 3.17Å; L841-H845 PolarHBondContact O-CD2 2.88Å; L841-H845 PolarHBondContact O-N 3.05Å
842E87.2Confident84.5Confident76 Ų7669.2 Ų69.236%0.35535%0.352SS..Hα-helixtrans-56.5-43.6176.2-72.3177173.600112.1E838 R839 N844 H845 S846E838-E842 WeakPolarHBondContact O-CG 3.27Å; E838-E842 PolarHBondContact O-N 2.8Å; R839-E842 WeakPolarHBondContact CD-OE2 3.36Å; R839-E842 IonicContact CZ-OE2 3.18Å; R839-E842 IonicContact NE-OE2 2.73Å; R839-E842 IonicContact NH1-OE2 2.74Å; R839-E842 PolarHBondContact NH1-OE2 3.31Å; E842-N844 VanDerWaalsContact C-N 3.34Å; E842-N844 PolarHBondContact O-N 2.86Å; E842-H845 PolarHBondContact O-N 3.1Å; E842-S846 PolarHBondContact O-N 3.47Å; E842-S846 PolarHBondContact O-OG 3.2Å
843L85Confident83.9Confident4 Ų472.9 Ų72.92%0.02137%0.37CS..Hα-helixtrans-68.6-31.9179.6-163.8146.9000113L780 L783 F791 R839 F840 L841 S846 K847L780-L843 HydrophobicContact CD1-CB 4.03Å; L780-L843 HydrophobicContact CD1-CD1 4.2Å; L780-L843 HydrophobicContact CD1-CG 4.17Å; L783-L843 HydrophobicContact CB-CD1 3.65Å; F791-L843 HydrophobicContact CE2-CD1 4.03Å; R839-L843 WeakPolarHBondContact O-CB 3.28Å; R839-L843 PolarHBondContact O-N 3.15Å; R839-L843 VanDerWaalsContact O-N 3.11Å; F840-L843 PolarHBondContact O-N 2.87Å; L841-L843 VanDerWaalsContact C-N 3.3Å; L841-L843 PolarHBondContact O-N 3.47Å; L843-S846 WeakPolarHBondContact CA-OG 3.46Å; L843-S846 PolarHBondContact O-OG 3.34Å; L843-K847 HydrophobicContact CD2-CD 4.14Å; L843-K847 WeakPolarHBondContact O-CG 3.26Å; L843-K847 PolarHBondContact O-N 3.5Å
844N81.9Confident83.3Confident60 Ų6075.5 Ų75.532%0.32138%0.383SS..Hα-helixtrans-74.2-38.5173.5-71.4-30.7000111.7F840 L841 E842 S846 K847 Q848F840-N844 WeakPolarHBondContact CD1-ND2 3.41Å; F840-N844 WeakPolarHBondContact CE1-ND2 3.44Å; F840-N844 VanDerWaalsContact CZ-ND2 3.35Å; F840-N844 WeakPolarHBondContact CZ-ND2 3.33Å; F840-N844 PolarHBondContact O-N 2.88Å; F840-N844 VanDerWaalsContact O-N 3.11Å; F840-N844 PolarHBondContact O-ND2 3.04Å; L841-N844 PolarHBondContact O-N 3.22Å; L841-N844 VanDerWaalsContact O-N 3.17Å; E842-N844 VanDerWaalsContact C-N 3.34Å; E842-N844 PolarHBondContact O-N 2.86Å; N844-S846 VanDerWaalsContact C-N 3.35Å; N844-K847 PolarHBondContact O-N 3.17Å; N844-Q848 PolarHBondContact O-N 3.3Å
845H81.4Confident82.5Confident123 Ų12376.5 Ų76.557%0.56938%0.379SS*.Hα-helixtrans-66.2-34.4174.7-77-58.3000112.7L841 E842 K847L841-H845 PolarHBondContact O-CD2 2.88Å; L841-H845 PolarHBondContact O-N 3.05Å; E842-H845 PolarHBondContact O-N 3.1Å; H845-K847 VanDerWaalsContact C-N 3.26Å; H845-K847 PolarHBondContact O-N 2.63Å
846S72Confident81.7Confident61 Ų6182 Ų8243%0.42741%0.405SS..THydrogen-bonded Turntrans-74.4-14.4175.963.90000114.4E842 L843 N844E842-S846 PolarHBondContact O-N 3.47Å; E842-S846 PolarHBondContact O-OG 3.2Å; L843-S846 WeakPolarHBondContact CA-OG 3.46Å; L843-S846 PolarHBondContact O-OG 3.34Å; N844-S846 VanDerWaalsContact C-N 3.35Å
847K62.1Low80.9Confident134 Ų13488 Ų8858%0.58344%0.435SS*.THydrogen-bonded Turntrans-90-21.4176.2-79179.3177.61770113.2L843 N844 H845L843-K847 HydrophobicContact CD2-CD 4.14Å; L843-K847 WeakPolarHBondContact O-CG 3.26Å; L843-K847 PolarHBondContact O-N 3.5Å; N844-K847 PolarHBondContact O-N 3.17Å; H845-K847 VanDerWaalsContact C-N 3.26Å; H845-K847 PolarHBondContact O-N 2.63Å
848Q52.6Low79.9Confident208 Ų20889.6 Ų89.697%0.97243%0.431SS*.  trans-79.50169.3-70179.6-14.300109.3N844N844-Q848 PolarHBondContact O-N 3.3Å

Retrieved 848 of 848 residues in 467.7 ms (Link to these results)

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