A0A077ZFP4_TRITR Loading...

Drf DAD and FH2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFP4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 300 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
1M77.6Confident85.2Confident112 Ų11297.3 Ų97.355%0.55250%0.496SS*.  0-39.30-71.4-59.8172.300113.7L13 M14M1-L13 HydrophobicContact CE-CD2 4.25Å; M1-L13 HydrophobicContact SD-CB 4.37Å; M1-L13 HydrophobicContact SD-CD2 3.52Å; M1-L13 VanDerWaalsContact SD-CD2 3.52Å; M1-L13 HydrophobicContact SD-CG 3.79Å; M1-M14 HydrophobicContact CB-CG 3.64Å; M1-M14 HydrophobicContact CB-SD 3.45Å; M1-M14 WeakPolarHBondContact CB-SD 3.47Å; M1-M14 HydrophobicContact CG-SD 3.83Å; M1-M14 PolarHBondContact O-N 2.96Å; M1-M14 HydrophobicContact SD-SD 4.35Å
2T81.2Confident85.8Confident63 Ų6389.9 Ų89.939%0.38746%0.46SS..  trans-82.6-25.5173.946.80000113.9T12 V137T2-T12 WeakPolarHBondContact O-CG2 3.46Å; T2-V137 HydrophobicContact CG2-CB 4.33Å; T2-V137 HydrophobicContact CG2-CG1 3.34Å; T2-V137 HydrophobicContact CG2-CG2 4.02Å
3E84.6Confident86.2Confident173 Ų17384.7 Ų84.781%0.80843%0.433SS*.SBendtrans-76-38.9-176.1-63.6176.9175.100113.1R5E3-R5 PolarHBondContact O-N 3.09Å
4I87.5Confident86.7Confident90 Ų9078.7 Ų78.746%0.46240%0.402SS..  trans-75.5120.2178.6-59.2171.5000108.2T12 L13 L290I4-T12 CarbonylContact O-C 3.51Å; I4-T12 VanDerWaalsContact O-CA 3.27Å; I4-T12 WeakPolarHBondContact O-CA 3.33Å; I4-L13 HydrophobicContact CB-CB 4.07Å; I4-L13 HydrophobicContact CB-CD2 4.48Å; I4-L13 HydrophobicContact CD1-CD2 3.93Å; I4-L13 HydrophobicContact CG2-CB 4.24Å; I4-L13 PolarHBondContact O-N 3.32Å; I4-L290 HydrophobicContact CG2-CD1 4.47Å
5R87.6Confident87Confident132 Ų13275.3 Ų75.350%0.49838%0.384SS..BIsolated β-bridgetrans-121.5158.5-178.1-68.7178.3-172.5-83.4-5.7111.3E3 K11 T12E3-R5 PolarHBondContact O-N 3.09Å; R5-K11 CarbonylContact C-O 3.51Å; R5-K11 VanDerWaalsContact CA-O 3.28Å; R5-K11 WeakPolarHBondContact CA-O 3.44Å; R5-T12 HydrophobicContact CG-CG2 4.12Å
6S86.1Confident87.2Confident17 Ų1771.1 Ų71.112%0.11936%0.363CS..  trans-64.2162.5168.955.70000111.6D8 Q9 S10 K11S6-D8 WeakPolarHBondContact CB-OD1 3.09Å; S6-D8 PolarHBondContact O-N 3.42Å; S6-D8 PolarHBondContact OG-OD1 3.24Å; S6-Q9 WeakPolarHBondContact O-CA 3.17Å; S6-Q9 PolarHBondContact O-N 2.87Å; S6-S10 PolarHBondContact OG-N 3.26Å; S6-K11 PolarHBondContact N-O 3Å; S6-K11 PolarHBondContact OG-N 2.86Å; S6-K11 PolarHBondContact OG-O 3.09Å
7V86.2Confident87.5Confident116 Ų11670.5 Ų70.570%0.70336%0.361SS*.THydrogen-bonded Turntrans-56.5-37.6179.5178.80000111.6Q9 D289V7-Q9 VanDerWaalsContact C-N 3.25Å; V7-Q9 PolarHBondContact O-N 3.48Å; V7-D289 WeakPolarHBondContact CG2-OD1 3.27Å
8D87.9Confident87.7Confident110 Ų11066.7 Ų66.759%0.58834%0.341SS*.THydrogen-bonded Turntrans-82.83.7176.267.7-24.9000113.7S6 S10S6-D8 WeakPolarHBondContact CB-OD1 3.09Å; S6-D8 PolarHBondContact O-N 3.42Å; S6-D8 PolarHBondContact OG-OD1 3.24Å; D8-S10 PolarHBondContact O-N 3.21Å; D8-S10 PolarHBondContact OD1-OG 3.08Å; D8-S10 VanDerWaalsContact OD2-CB 3.28Å; D8-S10 WeakPolarHBondContact OD2-CB 3.35Å; D8-S10 PolarHBondContact OD2-OG 2.89Å
9Q86.4Confident87.8Confident148 Ų14864.7 Ų64.769%0.69233%0.331SS*.SBendtrans58.68.8-179-54.3-179.520.600115.4S6 V7S6-Q9 WeakPolarHBondContact O-CA 3.17Å; S6-Q9 PolarHBondContact O-N 2.87Å; V7-Q9 VanDerWaalsContact C-N 3.25Å; V7-Q9 PolarHBondContact O-N 3.48Å
10S85.1Confident87.9Confident67 Ų6763.4 Ų63.447%0.46933%0.326SS..SBendtrans-78.3-38.1-174.6680000112.7S6 D8S6-S10 PolarHBondContact OG-N 3.26Å; D8-S10 PolarHBondContact O-N 3.21Å; D8-S10 PolarHBondContact OD1-OG 3.08Å; D8-S10 VanDerWaalsContact OD2-CB 3.28Å; D8-S10 WeakPolarHBondContact OD2-CB 3.35Å; D8-S10 PolarHBondContact OD2-OG 2.89Å
11K87Confident88Confident42 Ų4262 Ų6218%0.18332%0.319CS..  trans-119.1142.3-175.4-65.6-171.3-174.3-161.10110.8R5 S6 H15 D19 E148R5-K11 CarbonylContact C-O 3.51Å; R5-K11 VanDerWaalsContact CA-O 3.28Å; R5-K11 WeakPolarHBondContact CA-O 3.44Å; S6-K11 PolarHBondContact N-O 3Å; S6-K11 PolarHBondContact OG-N 2.86Å; S6-K11 PolarHBondContact OG-O 3.09Å; K11-H15 HydrophobicContact CB-CB 4.04Å; K11-H15 HydrophobicContact CD-CB 4.49Å; K11-H15 HydrophobicContact CG-CB 4.32Å; K11-D19 IonicContact NZ-OD2 2.63Å; K11-E148 VanDerWaalsContact CE-CD 3.43Å; K11-E148 WeakPolarHBondContact CE-OE1 3.35Å; K11-E148 WeakPolarHBondContact CE-OE2 3.28Å; K11-E148 IonicContact NZ-OE1 2.85Å; K11-E148 PolarHBondContact NZ-OE1 3.2Å; K11-E148 IonicContact NZ-OE2 2.65Å; K11-E148 PolarHBondContact NZ-OE2 3.24Å
12T92.2Very high88.5Confident9 Ų958.3 Ų58.36%0.05531%0.305CS..BIsolated β-bridgetrans-93.3166.8169.567.90000110.3T2 I4 R5 M14 H15 V16T2-T12 WeakPolarHBondContact O-CG2 3.46Å; I4-T12 CarbonylContact O-C 3.51Å; I4-T12 VanDerWaalsContact O-CA 3.27Å; I4-T12 WeakPolarHBondContact O-CA 3.33Å; R5-T12 HydrophobicContact CG-CG2 4.12Å; T12-M14 PolarHBondContact O-N 2.8Å; T12-M14 VanDerWaalsContact O-N 3.15Å; T12-M14 PolarHBondContact OG1-N 3.29Å; T12-H15 PolarHBondContact N-ND1 3.44Å; T12-H15 VanDerWaalsContact N-ND1 3.2Å; T12-H15 WeakPolarHBondContact O-CB 3.44Å; T12-H15 PolarHBondContact O-N 2.67Å; T12-H15 PolarHBondContact OG1-CE1 3.13Å; T12-H15 PolarHBondContact OG1-ND1 2.88Å; T12-V16 PolarHBondContact O-N 2.96Å
13L91.6Very high88.7Confident22 Ų2261.8 Ų61.812%0.11532%0.321CS..Hα-helixtrans-55.4-30.2171.8-177.559.8000112.4M1 I4 V16 L17 L290 L293M1-L13 HydrophobicContact CE-CD2 4.25Å; M1-L13 HydrophobicContact SD-CB 4.37Å; M1-L13 HydrophobicContact SD-CD2 3.52Å; M1-L13 VanDerWaalsContact SD-CD2 3.52Å; M1-L13 HydrophobicContact SD-CG 3.79Å; I4-L13 HydrophobicContact CB-CB 4.07Å; I4-L13 HydrophobicContact CB-CD2 4.48Å; I4-L13 HydrophobicContact CD1-CD2 3.93Å; I4-L13 HydrophobicContact CG2-CB 4.24Å; I4-L13 PolarHBondContact O-N 3.32Å; L13-V16 PolarHBondContact O-N 3.49Å; L13-L17 WeakPolarHBondContact O-CB 3.36Å; L13-L17 PolarHBondContact O-N 3.36Å; L13-L290 HydrophobicContact CD1-CD1 4.09Å; L13-L293 HydrophobicContact CD1-CD2 3.89Å
14M92.6Very high88.9Confident1 Ų159.8 Ų59.81%0.00531%0.306CS..Hα-helixtrans-60.5-45.1171.8-69.3-63.5-86.700112.6M1 T12 V16 L17 I18 F134 V137 Y138 A141M1-M14 HydrophobicContact CB-CG 3.64Å; M1-M14 HydrophobicContact CB-SD 3.45Å; M1-M14 WeakPolarHBondContact CB-SD 3.47Å; M1-M14 HydrophobicContact CG-SD 3.83Å; M1-M14 PolarHBondContact O-N 2.96Å; M1-M14 HydrophobicContact SD-SD 4.35Å; T12-M14 PolarHBondContact O-N 2.8Å; T12-M14 VanDerWaalsContact O-N 3.15Å; T12-M14 PolarHBondContact OG1-N 3.29Å; M14-V16 VanDerWaalsContact C-N 3.31Å; M14-V16 PolarHBondContact O-N 3.3Å; M14-L17 PolarHBondContact O-N 3.36Å; M14-I18 WeakPolarHBondContact O-CB 3.14Å; M14-I18 WeakPolarHBondContact O-CD1 3.49Å; M14-I18 WeakPolarHBondContact O-CG1 3.15Å; M14-I18 PolarHBondContact O-N 3.33Å; M14-F134 HydrophobicContact CE-CD2 3.82Å; M14-F134 HydrophobicContact CE-CE2 3.38Å; M14-F134 HydrophobicContact CE-CZ 3.94Å; M14-F134 HydrophobicContact SD-CD2 4.49Å; M14-F134 HydrophobicContact SD-CE2 3.88Å; M14-V137 HydrophobicContact CE-CG1 4.12Å; M14-V137 HydrophobicContact CG-CG1 4.03Å; M14-Y138 HydrophobicContact CE-CD2 3.87Å; M14-Y138 HydrophobicContact CE-CG 4.33Å; M14-A141 HydrophobicContact CB-CB 4.22Å
15H91.8Very high88.8Confident28 Ų2858.1 Ų58.113%0.1330%0.301CS..Hα-helixtrans-61.9-44179.9-65.279.2000110.4K11 T12 L17 I18 D19 V145K11-H15 HydrophobicContact CB-CB 4.04Å; K11-H15 HydrophobicContact CD-CB 4.49Å; K11-H15 HydrophobicContact CG-CB 4.32Å; T12-H15 PolarHBondContact N-ND1 3.44Å; T12-H15 VanDerWaalsContact N-ND1 3.2Å; T12-H15 WeakPolarHBondContact O-CB 3.44Å; T12-H15 PolarHBondContact O-N 2.67Å; T12-H15 PolarHBondContact OG1-CE1 3.13Å; T12-H15 PolarHBondContact OG1-ND1 2.88Å; H15-L17 PolarHBondContact O-N 2.9Å; H15-I18 PolarHBondContact O-N 2.91Å; H15-D19 PolarHBondContact O-N 3.47Å; H15-V145 HydrophobicContact CB-CG2 3.94Å
16V90.4Very high88.7Confident8 Ų855.9 Ų55.95%0.04830%0.304CS..Hα-helixtrans-60.2-46.2175.31670000111.7T12 L13 M14 I18 D19 V20 L290 L294T12-V16 PolarHBondContact O-N 2.96Å; L13-V16 PolarHBondContact O-N 3.49Å; M14-V16 VanDerWaalsContact C-N 3.31Å; M14-V16 PolarHBondContact O-N 3.3Å; V16-I18 VanDerWaalsContact C-N 3.29Å; V16-I18 PolarHBondContact O-N 3.32Å; V16-D19 PolarHBondContact O-N 3.32Å; V16-V20 HydrophobicContact CG1-CG2 4.5Å; V16-V20 WeakPolarHBondContact O-CG2 3.43Å; V16-V20 PolarHBondContact O-N 2.9Å; V16-L290 HydrophobicContact CG2-CD2 4.19Å; V16-L294 HydrophobicContact CB-CD2 4.24Å; V16-L294 HydrophobicContact CG1-CD2 3.23Å; V16-L294 HydrophobicContact CG1-CG 4.22Å; V16-L294 HydrophobicContact CG2-CD2 4Å
17L91.8Very high88.6Confident61 Ų6163.8 Ų63.832%0.31934%0.336SS..Hα-helixtrans-61.9-41.3180-17664.5000111.1L13 M14 H15 V20 I21L13-L17 WeakPolarHBondContact O-CB 3.36Å; L13-L17 PolarHBondContact O-N 3.36Å; M14-L17 PolarHBondContact O-N 3.36Å; H15-L17 PolarHBondContact O-N 2.9Å; L17-V20 PolarHBondContact O-N 3.46Å; L17-I21 HydrophobicContact CD1-CD1 4.31Å; L17-I21 HydrophobicContact CD2-CD1 4.47Å; L17-I21 HydrophobicContact CG-CD1 3.88Å; L17-I21 HydrophobicContact CG-CG1 4.49Å; L17-I21 WeakPolarHBondContact O-CB 3.43Å; L17-I21 VanDerWaalsContact O-CG1 3.24Å; L17-I21 WeakPolarHBondContact O-CG1 3.48Å; L17-I21 PolarHBondContact O-N 2.93Å
18I92.1Very high88.5Confident1 Ų162.9 Ų62.91%0.00532%0.324CS..Hα-helixtrans-63.5-44.5176.1-69.1164.9000110.9M14 H15 V16 V20 I21 S22 L29 Y138 A141 N142 V145M14-I18 WeakPolarHBondContact O-CB 3.14Å; M14-I18 WeakPolarHBondContact O-CD1 3.49Å; M14-I18 WeakPolarHBondContact O-CG1 3.15Å; M14-I18 PolarHBondContact O-N 3.33Å; H15-I18 PolarHBondContact O-N 2.91Å; V16-I18 VanDerWaalsContact C-N 3.29Å; V16-I18 PolarHBondContact O-N 3.32Å; I18-V20 VanDerWaalsContact C-N 3.3Å; I18-V20 PolarHBondContact O-N 3.22Å; I18-I21 PolarHBondContact O-N 3.1Å; I18-S22 VanDerWaalsContact O-CB 3.32Å; I18-S22 WeakPolarHBondContact O-CB 3.48Å; I18-S22 PolarHBondContact O-N 3.45Å; I18-L29 HydrophobicContact CG2-CD1 4Å; I18-Y138 HydrophobicContact CD1-CD2 3.98Å; I18-Y138 HydrophobicContact CD1-CE2 3.96Å; I18-Y138 HydrophobicContact CD1-CG 4.47Å; I18-Y138 HydrophobicContact CG1-CD2 3.96Å; I18-Y138 HydrophobicContact CG1-CE2 3.46Å; I18-Y138 VanDerWaalsContact CG1-CE2 3.46Å; I18-A141 HydrophobicContact CD1-CB 3.49Å; I18-A141 VanDerWaalsContact CD1-CB 3.49Å; I18-N142 HydrophobicContact CD1-CB 4.08Å; I18-N142 HydrophobicContact CG2-CB 4.32Å; I18-N142 WeakPolarHBondContact CG2-OD1 3.45Å; I18-V145 HydrophobicContact CB-CG2 4.33Å; I18-V145 HydrophobicContact CG2-CB 3.95Å; I18-V145 HydrophobicContact CG2-CG1 3.89Å; I18-V145 HydrophobicContact CG2-CG2 4.06Å
19D89.2Confident88.5Confident30 Ų3058.6 Ų58.616%0.1630%0.301CS..Hα-helixtrans-58.6-42.5174.2-84-34000111.3K11 H15 V16 N23 V145 N149K11-D19 IonicContact NZ-OD2 2.63Å; H15-D19 PolarHBondContact O-N 3.47Å; V16-D19 PolarHBondContact O-N 3.32Å; D19-N23 PolarHBondContact O-N 2.92Å; D19-N23 PolarHBondContact O-ND2 3.18Å; D19-V145 WeakPolarHBondContact OD1-CG1 3.43Å; D19-N149 PolarHBondContact OD1-ND2 3.02Å
20V89.6Confident88.5Confident37 Ų3760.3 Ų60.322%0.22430%0.302CS..Hα-helixtrans-66-45.8177.4173.80000111.4V16 L17 I18 N23 R24V16-V20 HydrophobicContact CG1-CG2 4.5Å; V16-V20 WeakPolarHBondContact O-CG2 3.43Å; V16-V20 PolarHBondContact O-N 2.9Å; L17-V20 PolarHBondContact O-N 3.46Å; I18-V20 VanDerWaalsContact C-N 3.3Å; I18-V20 PolarHBondContact O-N 3.22Å; V20-N23 PolarHBondContact O-N 2.8Å; V20-R24 HydrophobicContact CG1-CG 4.48Å; V20-R24 PolarHBondContact O-N 3Å
21I90.4Very high88.8Confident34 Ų3459.9 Ų59.917%0.17429%0.291CS..Hα-helixtrans-62.1-44.7177.2-68.5167000110L17 I18 N23 R24 C25 L29L17-I21 HydrophobicContact CD1-CD1 4.31Å; L17-I21 HydrophobicContact CD2-CD1 4.47Å; L17-I21 HydrophobicContact CG-CD1 3.88Å; L17-I21 HydrophobicContact CG-CG1 4.49Å; L17-I21 WeakPolarHBondContact O-CB 3.43Å; L17-I21 VanDerWaalsContact O-CG1 3.24Å; L17-I21 WeakPolarHBondContact O-CG1 3.48Å; L17-I21 PolarHBondContact O-N 2.93Å; I18-I21 PolarHBondContact O-N 3.1Å; I21-N23 PolarHBondContact O-N 3.37Å; I21-R24 PolarHBondContact O-N 3.35Å; I21-C25 HydrophobicContact CG2-CB 4.36Å; I21-C25 WeakPolarHBondContact CG2-O 3.49Å; I21-C25 CarbonylContact O-C 3.46Å; I21-C25 VanDerWaalsContact O-CA 3.27Å; I21-C25 WeakPolarHBondContact O-CA 3.42Å; I21-C25 PolarHBondContact O-N 3Å; I21-C25 VanDerWaalsContact O-O 3.05Å; I21-L29 HydrophobicContact CG2-CB 4.47Å; I21-L29 HydrophobicContact CG2-CD1 4.07Å
22S87.6Confident89Confident36 Ų3658.1 Ų58.125%0.25228%0.284SS..Hα-helixtrans-59.5-31.1178.6-175.60000112.8I18I18-S22 VanDerWaalsContact O-CB 3.32Å; I18-S22 WeakPolarHBondContact O-CB 3.48Å; I18-S22 PolarHBondContact O-N 3.45Å
23N86Confident89Confident135 Ų13562.1 Ų62.172%0.72231%0.305SS*.Hα-helixtrans-86.7-37.5-179.4-73.5-51.1000113.2D19 V20 I21D19-N23 PolarHBondContact O-N 2.92Å; D19-N23 PolarHBondContact O-ND2 3.18Å; V20-N23 PolarHBondContact O-N 2.8Å; I21-N23 PolarHBondContact O-N 3.37Å
24R89.1Confident89Confident131 Ų13167.4 Ų67.449%0.49433%0.334SS..Hα-helixtrans-93.5-37.4-176.5-64.5-170.6-177.8-129.32.3113.4V20 I21 L297 K298 A300V20-R24 HydrophobicContact CG1-CG 4.48Å; V20-R24 PolarHBondContact O-N 3Å; I21-R24 PolarHBondContact O-N 3.35Å; R24-L297 PolarHBondContact NH2-O 2.98Å; R24-K298 PolarHBondContact NH2-O 3.27Å; R24-A300 PolarHBondContact NH1-OXT 3.34Å; R24-A300 PolarHBondContact NH2-OXT 3.08Å
25C84.8Confident89Confident55 Ų5570.5 Ų70.537%0.37235%0.347SS..  trans-142.165.6-163.5-730000110.4I21 K27 E28I21-C25 HydrophobicContact CG2-CB 4.36Å; I21-C25 WeakPolarHBondContact CG2-O 3.49Å; I21-C25 CarbonylContact O-C 3.46Å; I21-C25 VanDerWaalsContact O-CA 3.27Å; I21-C25 WeakPolarHBondContact O-CA 3.42Å; I21-C25 PolarHBondContact O-N 3Å; I21-C25 VanDerWaalsContact O-O 3.05Å; C25-K27 PolarHBondContact O-N 3.44Å; C25-E28 VanDerWaalsContact CA-OE2 3.22Å; C25-E28 WeakPolarHBondContact CA-OE2 3.33Å; C25-E28 HydrophobicContact CB-CB 4.28Å; C25-E28 HydrophobicContact CB-CG 4.33Å; C25-E28 WeakPolarHBondContact CB-OE2 3.17Å; C25-E28 PolarHBondContact O-N 2.96Å; C25-E28 VanDerWaalsContact O-OE2 3.07Å
26P85.4Confident89.1Confident85 Ų8575.2 Ų75.255%0.55237%0.372SS*.THydrogen-bonded Turntrans-67.6-20.5-175.126.5-35.1000113.5E28 L29P26-E28 VanDerWaalsContact C-N 3.34Å; P26-L29 WeakPolarHBondContact O-CB 3.44Å
27K84Confident89.3Confident183 Ų18382 Ų8280%0.79640%0.403SS*.THydrogen-bonded Turntrans-72.5-34.5178.9-64.8-179.1-179.5178.40111.1C25 L29C25-K27 PolarHBondContact O-N 3.44Å; K27-L29 VanDerWaalsContact C-N 3.28Å; K27-L29 PolarHBondContact O-N 3.46Å
28E84.2Confident89.4Confident98 Ų9879.5 Ų79.546%0.45839%0.39SS..G310 helixtrans-80-12-176.5-63.172-162.300111.7C25 P26 R30 F31C25-E28 VanDerWaalsContact CA-OE2 3.22Å; C25-E28 WeakPolarHBondContact CA-OE2 3.33Å; C25-E28 HydrophobicContact CB-CB 4.28Å; C25-E28 HydrophobicContact CB-CG 4.33Å; C25-E28 WeakPolarHBondContact CB-OE2 3.17Å; C25-E28 PolarHBondContact O-N 2.96Å; C25-E28 VanDerWaalsContact O-OE2 3.07Å; P26-E28 VanDerWaalsContact C-N 3.34Å; E28-R30 PolarHBondContact O-N 3.47Å; E28-F31 WeakPolarHBondContact O-CB 3.26Å; E28-F31 VanDerWaalsContact O-CD1 3.25Å; E28-F31 WeakPolarHBondContact O-CD1 3.3Å; E28-F31 PolarHBondContact O-N 3.01Å
29L86.9Confident89.4Confident20 Ų2086 Ų8611%0.10542%0.418CS..G310 helixtrans-58.4-22179.7-165.371.2000113.6I18 I21 P26 K27 Y138I18-L29 HydrophobicContact CG2-CD1 4Å; I21-L29 HydrophobicContact CG2-CB 4.47Å; I21-L29 HydrophobicContact CG2-CD1 4.07Å; P26-L29 WeakPolarHBondContact O-CB 3.44Å; K27-L29 VanDerWaalsContact C-N 3.28Å; K27-L29 PolarHBondContact O-N 3.46Å; L29-Y138 PolarHBondContact O-OH 3.29Å
30R87.2Confident89.7Confident184 Ų18487.2 Ų87.269%0.69443%0.433SS*.G310 helixtrans-103.719.5179.4-65.5-168178.8-178.6-1.2114E28 T32 D33E28-R30 PolarHBondContact O-N 3.47Å; R30-T32 PolarHBondContact O-N 3.27Å; R30-D33 WeakPolarHBondContact O-CB 3.38Å; R30-D33 PolarHBondContact O-N 2.8Å
31F90.9Very high89.9Confident57 Ų5786.7 Ų86.725%0.2543%0.432CS..G310 helixtrans-56.6-24.1178.378-95000113.3E28 D33 D34 F35 F134 Y138E28-F31 WeakPolarHBondContact O-CB 3.26Å; E28-F31 VanDerWaalsContact O-CD1 3.25Å; E28-F31 WeakPolarHBondContact O-CD1 3.3Å; E28-F31 PolarHBondContact O-N 3.01Å; F31-D33 PolarHBondContact O-N 2.87Å; F31-D34 PolarHBondContact O-N 2.93Å; F31-F35 HydrophobicContact CD2-CD2 4.31Å; F31-F35 AromaticContact CD2-CE2 3.75Å; F31-F35 HydrophobicContact CD2-CE2 3.75Å; F31-F35 HydrophobicContact CD2-CZ 4.09Å; F31-F35 HydrophobicContact CE2-CD2 4.24Å; F31-F35 AromaticContact CE2-CE2 3.65Å; F31-F35 HydrophobicContact CE2-CE2 3.65Å; F31-F35 HydrophobicContact CE2-CZ 4.35Å; F31-F134 HydrophobicContact CE2-CE1 4.14Å; F31-F134 AromaticContact CZ-CE1 3.88Å; F31-F134 HydrophobicContact CZ-CE1 3.88Å; F31-F134 HydrophobicContact CZ-CZ 4.37Å; F31-Y138 HydrophobicContact CD1-CE1 4.43Å; F31-Y138 HydrophobicContact CE1-CD1 4.28Å; F31-Y138 HydrophobicContact CE1-CD2 4.08Å; F31-Y138 AromaticContact CE1-CE1 3.76Å; F31-Y138 HydrophobicContact CE1-CE1 3.76Å; F31-Y138 AromaticContact CE1-CE2 3.53Å; F31-Y138 HydrophobicContact CE1-CE2 3.53Å; F31-Y138 HydrophobicContact CE1-CG 4.42Å; F31-Y138 AromaticContact CE1-CZ 3.35Å; F31-Y138 HydrophobicContact CZ-CD1 4.28Å; F31-Y138 HydrophobicContact CZ-CD2 4.02Å; F31-Y138 HydrophobicContact CZ-CE1 4.21Å; F31-Y138 AromaticContact CZ-CE2 3.96Å; F31-Y138 HydrophobicContact CZ-CE2 3.96Å; F31-Y138 HydrophobicContact CZ-CG 4.18Å
32T91.7Very high90Very high5 Ų586.2 Ų86.23%0.03143%0.433CS..G310 helixtrans-64.4-20.917749.70000113.4R30 D34 F35 K135 Y138R30-T32 PolarHBondContact O-N 3.27Å; T32-D34 PolarHBondContact O-N 2.86Å; T32-F35 WeakPolarHBondContact O-CB 3.34Å; T32-F35 PolarHBondContact O-N 3.41Å; T32-F35 VanDerWaalsContact O-N 3.14Å; T32-K135 HydrophobicContact CG2-CG 4.21Å; T32-K135 WeakPolarHBondContact O-CE 3.48Å; T32-Y138 HydrophobicContact CG2-CD1 3.39Å; T32-Y138 HydrophobicContact CG2-CE1 3.86Å; T32-Y138 HydrophobicContact CG2-CG 4.13Å
33D91Very high90.3Very high93 Ų9390.7 Ų90.750%0.49745%0.454SS..G310 helixtrans-67.8-26.3177.1-65.4-11000111.3R30 F31 F35 I36R30-D33 WeakPolarHBondContact O-CB 3.38Å; R30-D33 PolarHBondContact O-N 2.8Å; F31-D33 PolarHBondContact O-N 2.87Å; D33-F35 PolarHBondContact O-N 2.67Å; D33-I36 WeakPolarHBondContact O-CG1 3.28Å
34D91.9Very high90.6Very high134 Ų13487.3 Ų87.372%0.71744%0.439SS*.G310 helixtrans-75.2-14.9175.4-62.2-32.6000112.2F31 T32 I36F31-D34 PolarHBondContact O-N 2.93Å; T32-D34 PolarHBondContact O-N 2.86Å; D34-I36 VanDerWaalsContact C-N 3.29Å; D34-I36 PolarHBondContact O-N 3.11Å
35F92.6Very high90.7Very high65 Ų6583.5 Ų83.529%0.28543%0.432SS..  trans-92.742.8-176.5-67.3-9.6000113F31 T32 D33 H37 V38 L131 K135F31-F35 HydrophobicContact CD2-CD2 4.31Å; F31-F35 AromaticContact CD2-CE2 3.75Å; F31-F35 HydrophobicContact CD2-CE2 3.75Å; F31-F35 HydrophobicContact CD2-CZ 4.09Å; F31-F35 HydrophobicContact CE2-CD2 4.24Å; F31-F35 AromaticContact CE2-CE2 3.65Å; F31-F35 HydrophobicContact CE2-CE2 3.65Å; F31-F35 HydrophobicContact CE2-CZ 4.35Å; T32-F35 WeakPolarHBondContact O-CB 3.34Å; T32-F35 PolarHBondContact O-N 3.41Å; T32-F35 VanDerWaalsContact O-N 3.14Å; D33-F35 PolarHBondContact O-N 2.67Å; F35-H37 PolarHBondContact O-N 3.17Å; F35-V38 HydrophobicContact CB-CB 4.31Å; F35-V38 HydrophobicContact CB-CG2 3.65Å; F35-V38 HydrophobicContact CD1-CG2 4.46Å; F35-V38 HydrophobicContact CG-CG2 4.04Å; F35-V38 PolarHBondContact O-N 3.42Å; F35-L131 HydrophobicContact CE2-CD1 4.22Å; F35-K135 HydrophobicContact CB-CD 3.92Å; F35-K135 VanDerWaalsContact O-CE 3.31Å; F35-K135 WeakPolarHBondContact O-CE 3.01Å
36I93.9Very high91Very high127 Ų12782.2 Ų82.265%0.65142%0.423SS*.THydrogen-bonded Turntrans-61.4-45.3-174-51.7178000111.8D33 D34D33-I36 WeakPolarHBondContact O-CG1 3.28Å; D34-I36 VanDerWaalsContact C-N 3.29Å; D34-I36 PolarHBondContact O-N 3.11Å
37H94.7Very high91.3Very high150 Ų15084.2 Ų84.269%0.69443%0.429SS*.THydrogen-bonded Turntrans-89.8-1.9-173.7-60.7-58.7000114.4F35 K39 A40 A41F35-H37 PolarHBondContact O-N 3.17Å; H37-K39 PolarHBondContact O-N 2.95Å; H37-A40 PolarHBondContact O-N 3.02Å; H37-A41 WeakPolarHBondContact O-CB 3.49Å; H37-A41 PolarHBondContact O-N 3.46Å
38V94.7Very high91.8Very high10 Ų1079.2 Ų79.26%0.06141%0.414CS..Hα-helixtrans-61.5-44-175.3168.60000111.8F35 A41 A42 F128 L131F35-V38 HydrophobicContact CB-CB 4.31Å; F35-V38 HydrophobicContact CB-CG2 3.65Å; F35-V38 HydrophobicContact CD1-CG2 4.46Å; F35-V38 HydrophobicContact CG-CG2 4.04Å; F35-V38 PolarHBondContact O-N 3.42Å; V38-A41 PolarHBondContact O-N 2.81Å; V38-A42 PolarHBondContact O-N 3.32Å; V38-F128 HydrophobicContact CG1-CD1 4.35Å; V38-L131 HydrophobicContact CG1-CB 3.95Å; V38-L131 HydrophobicContact CG1-CD2 3.89Å; V38-L131 HydrophobicContact CG1-CG 3.75Å; V38-L131 HydrophobicContact CG2-CD2 3.74Å; V38-L131 HydrophobicContact CG2-CG 4.34Å
39K92.2Very high92.3Very high137 Ų13777.5 Ų77.560%0.59641%0.407SS*.Hα-helixtrans-62.6-46178.6-173.4-177.2177.472.30111.4H37 A41 A42 D43H37-K39 PolarHBondContact O-N 2.95Å; K39-A41 VanDerWaalsContact C-N 3.32Å; K39-A41 PolarHBondContact O-N 3.25Å; K39-A42 WeakPolarHBondContact O-CB 3.48Å; K39-A42 PolarHBondContact O-N 3.46Å; K39-D43 PolarHBondContact O-N 3.08Å
40A94.2Very high92.7Very high56 Ų5678.7 Ų78.746%0.46342%0.42SS..Hα-helixtrans-63.5-38.7177.800000111.9H37 A42 D43 V44H37-A40 PolarHBondContact O-N 3.02Å; A40-A42 VanDerWaalsContact C-N 3.31Å; A40-A42 PolarHBondContact O-N 3.1Å; A40-D43 PolarHBondContact O-N 3.4Å; A40-V44 WeakPolarHBondContact O-CG2 3.48Å; A40-V44 PolarHBondContact O-N 3.17Å
41A94.2Very high93.1Very high26 Ų2672.4 Ų72.422%0.21541%0.407CS..Hα-helixtrans-66.6-30.8176.600000112.9H37 V38 K39 D43 V44 F128H37-A41 WeakPolarHBondContact O-CB 3.49Å; H37-A41 PolarHBondContact O-N 3.46Å; V38-A41 PolarHBondContact O-N 2.81Å; K39-A41 VanDerWaalsContact C-N 3.32Å; K39-A41 PolarHBondContact O-N 3.25Å; A41-D43 VanDerWaalsContact C-N 3.33Å; A41-V44 PolarHBondContact O-N 3Å; A41-F128 HydrophobicContact CB-CB 4.08Å; A41-F128 HydrophobicContact CB-CD1 3.63Å; A41-F128 HydrophobicContact CB-CD2 3.81Å; A41-F128 HydrophobicContact CB-CE1 3.94Å; A41-F128 HydrophobicContact CB-CE2 4.11Å; A41-F128 HydrophobicContact CB-CG 3.56Å; A41-F128 HydrophobicContact CB-CZ 4.17Å
42A93.3Very high93.4Very high23 Ų2373.7 Ų73.719%0.1942%0.417CS..Hα-helixtrans-68.3-32.6175.500000112.8V38 K39 A40 V44 F128V38-A42 PolarHBondContact O-N 3.32Å; K39-A42 WeakPolarHBondContact O-CB 3.48Å; K39-A42 PolarHBondContact O-N 3.46Å; A40-A42 VanDerWaalsContact C-N 3.31Å; A40-A42 PolarHBondContact O-N 3.1Å; A42-V44 VanDerWaalsContact C-N 3.33Å; A42-F128 HydrophobicContact CB-CB 4.04Å; A42-F128 WeakPolarHBondContact CB-O 3.34Å
43D92.9Very high93.6Very high130 Ų13074.7 Ų74.770%0.69542%0.422SS*.Hα-helixtrans-81.6-14-179.1-64.9-28000112.6K39 A40 A41K39-D43 PolarHBondContact O-N 3.08Å; A40-D43 PolarHBondContact O-N 3.4Å; A41-D43 VanDerWaalsContact C-N 3.33Å
44V92.9Very high93.9Very high65 Ų6576.7 Ų76.739%0.39443%0.426SS..  trans-84.9124-178175.10000110.6A40 A41 A42 P46 L49A40-V44 WeakPolarHBondContact O-CG2 3.48Å; A40-V44 PolarHBondContact O-N 3.17Å; A41-V44 PolarHBondContact O-N 3Å; A42-V44 VanDerWaalsContact C-N 3.33Å; V44-P46 WeakPolarHBondContact O-CD 3.4Å; V44-L49 HydrophobicContact CG1-CD1 3.45Å; V44-L49 VanDerWaalsContact CG1-CD1 3.45Å; V44-L49 HydrophobicContact CG1-CD2 4.5Å; V44-L49 HydrophobicContact CG1-CG 3.95Å
45S92.2Very high94.2Very high50 Ų5076.2 Ų76.235%0.3542%0.419SS..  trans-85118.4171.1176.40000110.8D47 V48 L49S45-D47 VanDerWaalsContact C-N 3.26Å; S45-D47 PolarHBondContact O-N 3.46Å; S45-V48 PolarHBondContact O-N 2.92Å; S45-V48 PolarHBondContact OG-N 3.44Å; S45-L49 PolarHBondContact O-N 3.32Å
46P90.6Very high94.3Very high29 Ų2976.6 Ų76.619%0.18842%0.423CS..Hα-helixtrans-65.3-31.217827.7-35.4000112.3V44 L49 A50 I124V44-P46 WeakPolarHBondContact O-CD 3.4Å; P46-L49 PolarHBondContact O-N 3.38Å; P46-A50 PolarHBondContact O-N 3.05Å; P46-I124 HydrophobicContact CB-CD1 4.13Å; P46-I124 HydrophobicContact CG-CB 4.32Å
47D92.1Very high94.5Very high127 Ų12774.8 Ų74.868%0.67941%0.412SS*.Hα-helixtrans-68.7-40.1179.5-59.5-39.4000111.4S45 A50 A51S45-D47 VanDerWaalsContact C-N 3.26Å; S45-D47 PolarHBondContact O-N 3.46Å; D47-A50 PolarHBondContact O-N 3.36Å; D47-A51 WeakPolarHBondContact O-CB 3.49Å; D47-A51 PolarHBondContact O-N 3.2Å
48V94.7Very high94.6Very high78 Ų7872.2 Ų72.247%0.47340%0.403SS..Hα-helixtrans-65-40.7175.1175.60000110.6S45 A51 N52S45-V48 PolarHBondContact O-N 2.92Å; S45-V48 PolarHBondContact OG-N 3.44Å; V48-A51 PolarHBondContact O-N 2.9Å; V48-N52 WeakPolarHBondContact O-CB 3.4Å; V48-N52 PolarHBondContact O-N 3.21Å; V48-N52 PolarHBondContact O-ND2 2.91Å; V48-N52 PolarHBondContact O-OD1 3.4Å
49L93.8Very high94.7Very high62 Ų6274.8 Ų74.833%0.32542%0.421SS..Hα-helixtrans-60.9-47.5175.4-70.5-179.8000111.9V44 S45 P46 A51 N52 L53 M104V44-L49 HydrophobicContact CG1-CD1 3.45Å; V44-L49 VanDerWaalsContact CG1-CD1 3.45Å; V44-L49 HydrophobicContact CG1-CD2 4.5Å; V44-L49 HydrophobicContact CG1-CG 3.95Å; S45-L49 PolarHBondContact O-N 3.32Å; P46-L49 PolarHBondContact O-N 3.38Å; L49-A51 VanDerWaalsContact C-N 3.34Å; L49-A51 PolarHBondContact O-N 2.9Å; L49-N52 PolarHBondContact O-N 3.49Å; L49-L53 WeakPolarHBondContact O-CG 3.49Å; L49-L53 PolarHBondContact O-N 3.47Å; L49-M104 HydrophobicContact CD1-CE 4.28Å; L49-M104 HydrophobicContact CD1-SD 4.24Å
50A94.5Very high94.9Very high44 Ų4469.1 Ų69.136%0.36440%0.397SS..Hα-helixtrans-63-40.417800000112P46 D47 K54P46-A50 PolarHBondContact O-N 3.05Å; D47-A50 PolarHBondContact O-N 3.36Å; A50-K54 WeakPolarHBondContact O-CB 3.27Å; A50-K54 PolarHBondContact O-N 3.01Å; A50-K54 VanDerWaalsContact O-N 3.11Å
51A96.8Very high94.9Very high53 Ų5370.2 Ų70.244%0.43839%0.393SS..Hα-helixtrans-62.7-47.4175.800000111.9D47 V48 L49 L53 K54 E55D47-A51 WeakPolarHBondContact O-CB 3.49Å; D47-A51 PolarHBondContact O-N 3.2Å; V48-A51 PolarHBondContact O-N 2.9Å; L49-A51 VanDerWaalsContact C-N 3.34Å; L49-A51 PolarHBondContact O-N 2.9Å; A51-L53 VanDerWaalsContact C-N 3.35Å; A51-L53 PolarHBondContact O-N 3.36Å; A51-K54 WeakPolarHBondContact O-CB 3.22Å; A51-K54 PolarHBondContact O-N 2.95Å; A51-E55 WeakPolarHBondContact O-CB 3.36Å; A51-E55 PolarHBondContact O-N 3.24Å
52N96.7Very high95Very high83 Ų8373.5 Ų73.544%0.44441%0.406SS..Hα-helixtrans-62.5-39.7179.5-68.7-7.2000112V48 L49 K54 E55 M56V48-N52 WeakPolarHBondContact O-CB 3.4Å; V48-N52 PolarHBondContact O-N 3.21Å; V48-N52 PolarHBondContact O-ND2 2.91Å; V48-N52 PolarHBondContact O-OD1 3.4Å; L49-N52 PolarHBondContact O-N 3.49Å; N52-K54 VanDerWaalsContact C-N 3.34Å; N52-E55 PolarHBondContact O-N 3.44Å; N52-M56 WeakPolarHBondContact O-CB 3.28Å; N52-M56 PolarHBondContact O-N 2.97Å
53L96.7Very high95Very high26 Ų2673.6 Ų73.614%0.13640%0.404CS..Hα-helixtrans-65.5-37.9175.8-73175000112.5L49 A51 Q57 H94 L97 H101L49-L53 WeakPolarHBondContact O-CG 3.49Å; L49-L53 PolarHBondContact O-N 3.47Å; A51-L53 VanDerWaalsContact C-N 3.35Å; A51-L53 PolarHBondContact O-N 3.36Å; L53-Q57 WeakPolarHBondContact O-CB 3.25Å; L53-Q57 PolarHBondContact O-N 3.48Å; L53-H94 PolarHBondContact O-NE2 3.41Å; L53-L97 HydrophobicContact CD2-CB 3.76Å; L53-L97 HydrophobicContact CD2-CD2 4.02Å; L53-L97 HydrophobicContact CD2-CG 4.38Å; L53-H101 HydrophobicContact CD1-CB 3.46Å; L53-H101 VanDerWaalsContact CD1-CB 3.46Å; L53-H101 VanDerWaalsContact CD1-CG 3.41Å
54K96.7Very high95Very high136 Ų13668.9 Ų68.959%0.59138%0.378SS*.Hα-helixtrans-68.3-42.9175.5-174.2-179.5179.6-177.90111.2A50 A51 N52 M56 Q57 L58A50-K54 WeakPolarHBondContact O-CB 3.27Å; A50-K54 PolarHBondContact O-N 3.01Å; A50-K54 VanDerWaalsContact O-N 3.11Å; A51-K54 WeakPolarHBondContact O-CB 3.22Å; A51-K54 PolarHBondContact O-N 2.95Å; N52-K54 VanDerWaalsContact C-N 3.34Å; K54-M56 VanDerWaalsContact C-N 3.35Å; K54-Q57 WeakPolarHBondContact O-CB 3.38Å; K54-Q57 PolarHBondContact O-N 3.41Å; K54-L58 HydrophobicContact CG-CD1 4.45Å; K54-L58 WeakPolarHBondContact O-CG 3.41Å; K54-L58 PolarHBondContact O-N 3.37Å
55E97.2Very high95Very high123 Ų12369.6 Ų69.658%0.57538%0.38SS*.Hα-helixtrans-61.7-43176-177.3176.8-164.600111.8A51 N52 Q57 L58 S59A51-E55 WeakPolarHBondContact O-CB 3.36Å; A51-E55 PolarHBondContact O-N 3.24Å; N52-E55 PolarHBondContact O-N 3.44Å; E55-Q57 VanDerWaalsContact C-N 3.34Å; E55-Q57 PolarHBondContact O-N 2.96Å; E55-L58 PolarHBondContact O-N 3.34Å; E55-S59 WeakPolarHBondContact O-CB 3.35Å; E55-S59 PolarHBondContact O-N 3.38Å; E55-S59 PolarHBondContact O-OG 3.45Å
56M96.6Very high95Very high74 Ų7471.7 Ų71.737%0.36538%0.384SS..Hα-helixtrans-60.6-44.2174-174.2-177.8-64.500111.3N52 K54 L58 S59 I60 H94 L97N52-M56 WeakPolarHBondContact O-CB 3.28Å; N52-M56 PolarHBondContact O-N 2.97Å; K54-M56 VanDerWaalsContact C-N 3.35Å; M56-L58 PolarHBondContact O-N 3.37Å; M56-S59 PolarHBondContact O-N 3.29Å; M56-I60 HydrophobicContact CG-CD1 4.05Å; M56-I60 VanDerWaalsContact O-CG1 3.3Å; M56-I60 WeakPolarHBondContact O-CG1 3.39Å; M56-I60 PolarHBondContact O-N 3.27Å; M56-H94 HydrophobicContact SD-CB 4.05Å; M56-L97 HydrophobicContact CE-CD2 4.08Å; M56-L97 HydrophobicContact SD-CD2 4.47Å
57Q96.5Very high95Very high89 Ų8971.5 Ų71.542%0.41638%0.381SS..Hα-helixtrans-59.3-45.5176-170.2179.2-300112.1L53 K54 E55 I60 Q61 H94L53-Q57 WeakPolarHBondContact O-CB 3.25Å; L53-Q57 PolarHBondContact O-N 3.48Å; K54-Q57 WeakPolarHBondContact O-CB 3.38Å; K54-Q57 PolarHBondContact O-N 3.41Å; E55-Q57 VanDerWaalsContact C-N 3.34Å; E55-Q57 PolarHBondContact O-N 2.96Å; Q57-I60 PolarHBondContact O-N 2.9Å; Q57-Q61 WeakPolarHBondContact O-CG 3.39Å; Q57-Q61 PolarHBondContact O-N 3.3Å; Q57-H94 WeakPolarHBondContact CB-NE2 3.48Å
58L97Very high94.8Very high95 Ų9572.6 Ų72.650%0.49738%0.38SS..Hα-helixtrans-64.7-41.4178.8-69.7173.8000111.6K54 E55 M56 Q61 L62K54-L58 HydrophobicContact CG-CD1 4.45Å; K54-L58 WeakPolarHBondContact O-CG 3.41Å; K54-L58 PolarHBondContact O-N 3.37Å; E55-L58 PolarHBondContact O-N 3.34Å; M56-L58 PolarHBondContact O-N 3.37Å; L58-Q61 PolarHBondContact O-N 3.44Å; L58-L62 PolarHBondContact O-N 3.36Å
59S96.5Very high94.5Very high65 Ų6576.3 Ų76.346%0.45539%0.392SS..Hα-helixtrans-63.7-41.8177.8-590000111.7E55 M56 L62 V63E55-S59 WeakPolarHBondContact O-CB 3.35Å; E55-S59 PolarHBondContact O-N 3.38Å; E55-S59 PolarHBondContact O-OG 3.45Å; M56-S59 PolarHBondContact O-N 3.29Å; S59-L62 WeakPolarHBondContact O-CB 3.5Å; S59-L62 PolarHBondContact O-N 3.04Å; S59-V63 WeakPolarHBondContact O-CG2 3.42Å; S59-V63 PolarHBondContact O-N 2.84Å; S59-V63 VanDerWaalsContact O-N 3.13Å
60I96.3Very high94.1Very high17 Ų1776 Ų769%0.08739%0.389CS..Hα-helixtrans-61.6-47174-71168.5000110.3M56 Q57 L62 V63 E64 L87 A90 R91 H94M56-I60 HydrophobicContact CG-CD1 4.05Å; M56-I60 VanDerWaalsContact O-CG1 3.3Å; M56-I60 WeakPolarHBondContact O-CG1 3.39Å; M56-I60 PolarHBondContact O-N 3.27Å; Q57-I60 PolarHBondContact O-N 2.9Å; I60-L62 VanDerWaalsContact C-N 3.27Å; I60-L62 PolarHBondContact O-N 3.31Å; I60-V63 PolarHBondContact O-N 3.02Å; I60-E64 HydrophobicContact CG2-CG 4.45Å; I60-E64 WeakPolarHBondContact CG2-OE1 3.47Å; I60-E64 VanDerWaalsContact O-CG 3.28Å; I60-E64 WeakPolarHBondContact O-CG 3.49Å; I60-E64 PolarHBondContact O-N 2.9Å; I60-L87 HydrophobicContact CG2-CD1 3.79Å; I60-A90 HydrophobicContact CD1-CB 4.23Å; I60-A90 WeakPolarHBondContact CD1-O 3.35Å; I60-A90 HydrophobicContact CG1-CB 4.18Å; I60-R91 HydrophobicContact CG2-CG 3.87Å; I60-H94 HydrophobicContact CD1-CB 3.47Å; I60-H94 VanDerWaalsContact CD1-CB 3.47Å
61Q95.3Very high93.5Very high79 Ų7980.9 Ų80.937%0.36940%0.403SS..Hα-helixtrans-61-34.7177.3-73.8176-3.500113.1Q57 L58 E64 N65Q57-Q61 WeakPolarHBondContact O-CG 3.39Å; Q57-Q61 PolarHBondContact O-N 3.3Å; L58-Q61 PolarHBondContact O-N 3.44Å; Q61-E64 WeakPolarHBondContact O-CB 3.35Å; Q61-E64 PolarHBondContact O-N 3.31Å; Q61-N65 WeakPolarHBondContact O-CB 3.46Å; Q61-N65 PolarHBondContact O-N 2.95Å; Q61-N65 PolarHBondContact O-ND2 3.07Å
62L95.3Very high92.6Very high96 Ų9684 Ų8450%0.50341%0.412SS..Hα-helixtrans-63.3-50.4175.2-177.6147.3000110.6L58 S59 I60 E64 N65 E66L58-L62 PolarHBondContact O-N 3.36Å; S59-L62 WeakPolarHBondContact O-CB 3.5Å; S59-L62 PolarHBondContact O-N 3.04Å; I60-L62 VanDerWaalsContact C-N 3.27Å; I60-L62 PolarHBondContact O-N 3.31Å; L62-E64 VanDerWaalsContact C-N 3.29Å; L62-E64 PolarHBondContact O-N 3.29Å; L62-N65 PolarHBondContact O-N 3.21Å; L62-N65 VanDerWaalsContact O-N 3.1Å; L62-E66 HydrophobicContact CD2-CG 4.24Å; L62-E66 WeakPolarHBondContact CD2-OE1 3.48Å; L62-E66 WeakPolarHBondContact O-CG 3.42Å; L62-E66 PolarHBondContact O-N 3.49Å
63V93.8Very high91.7Very high24 Ų2486.9 Ų86.915%0.14542%0.423CS..Hα-helixtrans-60.9-38.7176.9175.40000111.5S59 I60 N65 E66 L67 M83S59-V63 WeakPolarHBondContact O-CG2 3.42Å; S59-V63 PolarHBondContact O-N 2.84Å; S59-V63 VanDerWaalsContact O-N 3.13Å; I60-V63 PolarHBondContact O-N 3.02Å; V63-N65 VanDerWaalsContact C-N 3.34Å; V63-N65 PolarHBondContact O-N 3.46Å; V63-E66 PolarHBondContact O-N 3.44Å; V63-L67 HydrophobicContact CG1-CD1 4.18Å; V63-L67 WeakPolarHBondContact O-CB 3.14Å; V63-L67 WeakPolarHBondContact O-CG 3.36Å; V63-L67 PolarHBondContact O-N 3.23Å; V63-M83 HydrophobicContact CG1-CG 3.51Å; V63-M83 HydrophobicContact CG1-SD 3.71Å
64E93.4Very high90.8Very high32 Ų3289.7 Ų89.715%0.1544%0.444CS..Hα-helixtrans-61-41.8174.1-71175.9-16800113I60 Q61 L62 K68 L87 R91I60-E64 HydrophobicContact CG2-CG 4.45Å; I60-E64 WeakPolarHBondContact CG2-OE1 3.47Å; I60-E64 VanDerWaalsContact O-CG 3.28Å; I60-E64 WeakPolarHBondContact O-CG 3.49Å; I60-E64 PolarHBondContact O-N 2.9Å; Q61-E64 WeakPolarHBondContact O-CB 3.35Å; Q61-E64 PolarHBondContact O-N 3.31Å; L62-E64 VanDerWaalsContact C-N 3.29Å; L62-E64 PolarHBondContact O-N 3.29Å; E64-K68 VanDerWaalsContact O-CG 3.26Å; E64-K68 WeakPolarHBondContact O-CG 3.32Å; E64-K68 PolarHBondContact O-N 3.4Å; E64-K68 VanDerWaalsContact O-N 3.08Å; E64-L87 HydrophobicContact CB-CD2 4.45Å; E64-L87 HydrophobicContact CG-CD1 3.39Å; E64-L87 HydrophobicContact CG-CD2 3.63Å; E64-L87 HydrophobicContact CG-CG 4.1Å; E64-R91 IonicContact OE1-CZ 3.11Å; E64-R91 IonicContact OE1-NE 2.67Å; E64-R91 PolarHBondContact OE1-NE 2.92Å; E64-R91 IonicContact OE1-NH2 2.8Å; E64-R91 PolarHBondContact OE1-NH2 2.74Å; E64-R91 IonicContact OE2-CZ 3.91Å; E64-R91 IonicContact OE2-NH2 2.87Å; E64-R91 PolarHBondContact OE2-NH2 2.94Å
65N93.3Very high89.8Confident79 Ų7992.5 Ų92.542%0.42246%0.459SS..Hα-helixtrans-72.4-39.5-179.7-69-22.4000110.9Q61 L62 V63 K68 Q69Q61-N65 WeakPolarHBondContact O-CB 3.46Å; Q61-N65 PolarHBondContact O-N 2.95Å; Q61-N65 PolarHBondContact O-ND2 3.07Å; L62-N65 PolarHBondContact O-N 3.21Å; L62-N65 VanDerWaalsContact O-N 3.1Å; V63-N65 VanDerWaalsContact C-N 3.34Å; V63-N65 PolarHBondContact O-N 3.46Å; N65-K68 PolarHBondContact O-N 3Å; N65-Q69 WeakPolarHBondContact O-CB 3.46Å; N65-Q69 WeakPolarHBondContact O-CG 3.35Å; N65-Q69 PolarHBondContact O-N 2.96Å
66E91.4Very high89Confident94 Ų9493.8 Ų93.844%0.43947%0.47SS..Hα-helixtrans-60.1-45172.7-73.1-178167.300111.2L62 V63 K68 Q69 F70L62-E66 HydrophobicContact CD2-CG 4.24Å; L62-E66 WeakPolarHBondContact CD2-OE1 3.48Å; L62-E66 WeakPolarHBondContact O-CG 3.42Å; L62-E66 PolarHBondContact O-N 3.49Å; V63-E66 PolarHBondContact O-N 3.44Å; E66-K68 VanDerWaalsContact C-N 3.34Å; E66-K68 PolarHBondContact O-N 2.9Å; E66-Q69 CarbonylContact O-C 3.54Å; E66-Q69 PolarHBondContact O-N 3.3Å; E66-F70 WeakPolarHBondContact O-CB 3.43Å; E66-F70 PolarHBondContact O-N 3.01Å
67L89.7Confident88.5Confident26 Ų2692.7 Ų92.714%0.13647%0.465CS..Hα-helixtrans-63.1-36.3175.8-80.2170.8000113.1V63 Q69 F70 F79 M83 L87V63-L67 HydrophobicContact CG1-CD1 4.18Å; V63-L67 WeakPolarHBondContact O-CB 3.14Å; V63-L67 WeakPolarHBondContact O-CG 3.36Å; V63-L67 PolarHBondContact O-N 3.23Å; L67-Q69 VanDerWaalsContact C-N 3.35Å; L67-F70 WeakPolarHBondContact O-CB 3.4Å; L67-F70 PolarHBondContact O-N 3.38Å; L67-F79 HydrophobicContact CD2-CD1 4.39Å; L67-F79 HydrophobicContact CD2-CE1 4.09Å; L67-M83 HydrophobicContact CD1-CB 4.13Å; L67-M83 HydrophobicContact CD1-CG 3.87Å; L67-M83 HydrophobicContact CD2-CB 3.76Å; L67-M83 HydrophobicContact CD2-CG 4.06Å; L67-M83 HydrophobicContact CG-CB 4.26Å; L67-M83 HydrophobicContact CG-CG 4.04Å; L67-L87 HydrophobicContact CD1-CB 4.21Å; L67-L87 HydrophobicContact CD1-CD2 3.77Å
68K89Confident88.1Confident149 Ų14998 Ų9865%0.64848%0.482SS*.Hα-helixtrans-69.5-32.3175.3-72.7167.7-167.8163.10112.9E64 N65 E66E64-K68 VanDerWaalsContact O-CG 3.26Å; E64-K68 WeakPolarHBondContact O-CG 3.32Å; E64-K68 PolarHBondContact O-N 3.4Å; E64-K68 VanDerWaalsContact O-N 3.08Å; N65-K68 PolarHBondContact O-N 3Å; E66-K68 VanDerWaalsContact C-N 3.34Å; E66-K68 PolarHBondContact O-N 2.9Å
69Q89.3Confident87.7Confident156 Ų15696.8 Ų96.873%0.72947%0.473SS*.Hα-helixtrans-90.2-7.7179.7-68177.9-0.100112.6N65 E66 L67N65-Q69 WeakPolarHBondContact O-CB 3.46Å; N65-Q69 WeakPolarHBondContact O-CG 3.35Å; N65-Q69 PolarHBondContact O-N 2.96Å; E66-Q69 CarbonylContact O-C 3.54Å; E66-Q69 PolarHBondContact O-N 3.3Å; L67-Q69 VanDerWaalsContact C-N 3.35Å
70F85.3Confident87.3Confident57 Ų5798.4 Ų98.425%0.2547%0.473CS..  trans-66.3132.4-174.3-170.1-106.2000111.8E66 L67 D77 F79 E80E66-F70 WeakPolarHBondContact O-CB 3.43Å; E66-F70 PolarHBondContact O-N 3.01Å; L67-F70 WeakPolarHBondContact O-CB 3.4Å; L67-F70 PolarHBondContact O-N 3.38Å; F70-D77 VanDerWaalsContact CZ-OD2 3.27Å; F70-D77 WeakPolarHBondContact CZ-OD2 3.39Å; F70-F79 HydrophobicContact CD1-CD1 4.33Å; F70-F79 AromaticContact CD2-CD1 3.68Å; F70-F79 HydrophobicContact CD2-CD1 3.68Å; F70-F79 AromaticContact CD2-CE1 3.89Å; F70-F79 HydrophobicContact CD2-CE1 3.89Å; F70-F79 HydrophobicContact CE1-CB 4.36Å; F70-F79 HydrophobicContact CE1-CD1 4.09Å; F70-F79 HydrophobicContact CE2-CB 4.26Å; F70-F79 AromaticContact CE2-CD1 3.39Å; F70-F79 HydrophobicContact CE2-CD1 3.39Å; F70-F79 AromaticContact CE2-CE1 3.98Å; F70-F79 HydrophobicContact CE2-CE1 3.98Å; F70-F79 HydrophobicContact CE2-CG 4.02Å; F70-F79 HydrophobicContact CG-CD1 4.13Å; F70-F79 HydrophobicContact CG-CE1 4.44Å; F70-F79 HydrophobicContact CZ-CB 3.77Å; F70-F79 AromaticContact CZ-CD1 3.61Å; F70-F79 HydrophobicContact CZ-CD1 3.61Å; F70-F79 HydrophobicContact CZ-CG 4.02Å; F70-E80 HydrophobicContact CD1-CB 4.17Å; F70-E80 HydrophobicContact CE1-CB 4.18Å
71Q80.6Confident87Confident145 Ų145105 Ų10568%0.67850%0.501SS*.  trans-120.8131.4171.9-64179.27.800108Q73Q71-Q73 PolarHBondContact O-N 3.11Å; Q71-Q73 VanDerWaalsContact O-N 3.09Å; Q71-Q73 PolarHBondContact O-NE2 3.04Å
72L78.4Confident86.8Confident118 Ų118107.2 Ų107.262%0.61852%0.515SS*.  trans-53.9116.4178.6-78.9113.5000110.6
73Q77.8Confident86.7Confident144 Ų144104.8 Ų104.867%0.67350%0.501SS*.  trans-87.5-26.6179.9-61.9-59.9-52.900112.3Q71Q71-Q73 PolarHBondContact O-N 3.11Å; Q71-Q73 VanDerWaalsContact O-N 3.09Å; Q71-Q73 PolarHBondContact O-NE2 3.04Å
74C78.2Confident86.6Confident85 Ų85106.1 Ų106.157%0.57451%0.512SS*.SBendtrans-146.7150.6-175-74.10000110.1N76 D77C74-N76 PolarHBondContact O-N 3.28Å; C74-D77 HydrophobicContact CB-CB 4.44Å; C74-D77 WeakPolarHBondContact O-CB 3.4Å; C74-D77 PolarHBondContact O-N 2.9Å; C74-D77 VanDerWaalsContact O-N 3.09Å
75E75.1Confident86.7Confident195 Ų195109.1 Ų109.191%0.91153%0.529SS*.THydrogen-bonded Turntrans-65-24.8179.7-161.5174.1-17000113
76N80.3Confident86.8Confident151 Ų151110.9 Ų110.981%0.80753%0.533SS*.THydrogen-bonded Turntrans-9411.8176.7-72.1-38.4000113.9C74 R78C74-N76 PolarHBondContact O-N 3.28Å; N76-R78 PolarHBondContact O-N 3.27Å
77D86.9Confident87Confident50 Ų50107.2 Ų107.227%0.26752%0.516SS..  trans-71.5119.4-176.7-161.3-22.8000111.5F70 C74 F79F70-D77 VanDerWaalsContact CZ-OD2 3.27Å; F70-D77 WeakPolarHBondContact CZ-OD2 3.39Å; C74-D77 HydrophobicContact CB-CB 4.44Å; C74-D77 WeakPolarHBondContact O-CB 3.4Å; C74-D77 PolarHBondContact O-N 2.9Å; C74-D77 VanDerWaalsContact O-N 3.09Å; D77-F79 WeakPolarHBondContact OD1-CB 3.43Å; D77-F79 PolarHBondContact OD1-N 2.91Å
78R87.7Confident87.2Confident202 Ų202109.6 Ų109.676%0.76254%0.535SS*.  trans-107.35.2178.7-61.1-176.8-175.4176.71.9112.4N76 E80 K81 L82N76-R78 PolarHBondContact O-N 3.27Å; R78-E80 PolarHBondContact O-N 3.45Å; R78-K81 PolarHBondContact O-N 2.99Å; R78-L82 WeakPolarHBondContact O-CB 3.48Å; R78-L82 PolarHBondContact O-N 3.07Å
79F88.8Confident87.6Confident69 Ų69107 Ų10730%0.30353%0.528SS..Hα-helixtrans-57.8-50.8-176.1-179.8-96.5000111.2L67 F70 D77 K81 L82 M83L67-F79 HydrophobicContact CD2-CD1 4.39Å; L67-F79 HydrophobicContact CD2-CE1 4.09Å; F70-F79 HydrophobicContact CD1-CD1 4.33Å; F70-F79 AromaticContact CD2-CD1 3.68Å; F70-F79 HydrophobicContact CD2-CD1 3.68Å; F70-F79 AromaticContact CD2-CE1 3.89Å; F70-F79 HydrophobicContact CD2-CE1 3.89Å; F70-F79 HydrophobicContact CE1-CB 4.36Å; F70-F79 HydrophobicContact CE1-CD1 4.09Å; F70-F79 HydrophobicContact CE2-CB 4.26Å; F70-F79 AromaticContact CE2-CD1 3.39Å; F70-F79 HydrophobicContact CE2-CD1 3.39Å; F70-F79 AromaticContact CE2-CE1 3.98Å; F70-F79 HydrophobicContact CE2-CE1 3.98Å; F70-F79 HydrophobicContact CE2-CG 4.02Å; F70-F79 HydrophobicContact CG-CD1 4.13Å; F70-F79 HydrophobicContact CG-CE1 4.44Å; F70-F79 HydrophobicContact CZ-CB 3.77Å; F70-F79 AromaticContact CZ-CD1 3.61Å; F70-F79 HydrophobicContact CZ-CD1 3.61Å; F70-F79 HydrophobicContact CZ-CG 4.02Å; D77-F79 WeakPolarHBondContact OD1-CB 3.43Å; D77-F79 PolarHBondContact OD1-N 2.91Å; F79-K81 VanDerWaalsContact C-N 3.34Å; F79-K81 PolarHBondContact O-N 2.94Å; F79-L82 PolarHBondContact O-N 3.05Å; F79-M83 HydrophobicContact CD1-CB 4.5Å; F79-M83 HydrophobicContact CD2-CE 4.33Å; F79-M83 HydrophobicContact CE1-CB 4.27Å; F79-M83 HydrophobicContact CE1-CG 4.35Å; F79-M83 HydrophobicContact CE2-CB 4.5Å; F79-M83 HydrophobicContact CE2-CE 3.58Å; F79-M83 HydrophobicContact CE2-CG 4.49Å; F79-M83 HydrophobicContact CZ-CB 4.27Å; F79-M83 HydrophobicContact CZ-CE 3.96Å; F79-M83 HydrophobicContact CZ-CG 4.06Å; F79-M83 WeakPolarHBondContact O-CB 3.49Å; F79-M83 PolarHBondContact O-N 3.24Å
80E88Confident87.9Confident98 Ų98100.5 Ų100.546%0.45850%0.501SS..Hα-helixtrans-56.8-46.8-179.4-173.1-177.2173.300111.8F70 R78 S84F70-E80 HydrophobicContact CD1-CB 4.17Å; F70-E80 HydrophobicContact CE1-CB 4.18Å; R78-E80 PolarHBondContact O-N 3.45Å; E80-S84 WeakPolarHBondContact O-CB 3.4Å; E80-S84 PolarHBondContact O-N 3.34Å; E80-S84 PolarHBondContact O-OG 3.43Å
81K88.7Confident88.4Confident157 Ų157102.7 Ų102.768%0.68351%0.508SS*.Hα-helixtrans-65.2-47.1179.8-175.9176.8-179.8176.50112.2R78 F79 N85R78-K81 PolarHBondContact O-N 2.99Å; F79-K81 VanDerWaalsContact C-N 3.34Å; F79-K81 PolarHBondContact O-N 2.94Å; K81-N85 PolarHBondContact O-N 2.89Å
82L92.7Very high89.2Confident125 Ų125101.5 Ų101.565%0.65450%0.502SS*.Hα-helixtrans-68.1-44.6-178.1-176.264.3000111.1R78 F79 N85 F86R78-L82 WeakPolarHBondContact O-CB 3.48Å; R78-L82 PolarHBondContact O-N 3.07Å; F79-L82 PolarHBondContact O-N 3.05Å; L82-N85 PolarHBondContact O-N 3.29Å; L82-F86 PolarHBondContact O-N 2.58Å
83M93Very high90.1Very high44 Ų44100.7 Ų100.722%0.21750%0.495CS..Hα-helixtrans-73.7-30.2-176.7-159.857.668.500112V63 L67 F79 F86 L87V63-M83 HydrophobicContact CG1-CG 3.51Å; V63-M83 HydrophobicContact CG1-SD 3.71Å; L67-M83 HydrophobicContact CD1-CB 4.13Å; L67-M83 HydrophobicContact CD1-CG 3.87Å; L67-M83 HydrophobicContact CD2-CB 3.76Å; L67-M83 HydrophobicContact CD2-CG 4.06Å; L67-M83 HydrophobicContact CG-CB 4.26Å; L67-M83 HydrophobicContact CG-CG 4.04Å; F79-M83 HydrophobicContact CD1-CB 4.5Å; F79-M83 HydrophobicContact CD2-CE 4.33Å; F79-M83 HydrophobicContact CE1-CB 4.27Å; F79-M83 HydrophobicContact CE1-CG 4.35Å; F79-M83 HydrophobicContact CE2-CB 4.5Å; F79-M83 HydrophobicContact CE2-CE 3.58Å; F79-M83 HydrophobicContact CE2-CG 4.49Å; F79-M83 HydrophobicContact CZ-CB 4.27Å; F79-M83 HydrophobicContact CZ-CE 3.96Å; F79-M83 HydrophobicContact CZ-CG 4.06Å; F79-M83 WeakPolarHBondContact O-CB 3.49Å; F79-M83 PolarHBondContact O-N 3.24Å; M83-F86 PolarHBondContact O-N 2.98Å; M83-F86 HydrophobicContact SD-CB 4.2Å; M83-F86 HydrophobicContact SD-CD1 3.48Å; M83-F86 WeakPolarHBondContact SD-CD1 3.11Å; M83-F86 HydrophobicContact SD-CE1 4.21Å; M83-F86 HydrophobicContact SD-CG 4.1Å; M83-L87 WeakPolarHBondContact O-CB 3.38Å; M83-L87 PolarHBondContact O-N 3.29Å
84S91.6Very high91Very high52 Ų5295.1 Ų95.136%0.36447%0.469SS..Hα-helixtrans-64.1-41.9171.4-64.70000112.3E80 L87 S88E80-S84 WeakPolarHBondContact O-CB 3.4Å; E80-S84 PolarHBondContact O-N 3.34Å; E80-S84 PolarHBondContact O-OG 3.43Å; S84-L87 PolarHBondContact O-N 2.99Å; S84-S88 PolarHBondContact O-N 3Å; S84-S88 VanDerWaalsContact O-N 3.08Å
85N94.5Very high91.9Very high96 Ų9696.4 Ų96.451%0.51347%0.467SS..Hα-helixtrans-64.6-48.7174.5-69.6-13.8000110.9K81 L82 L87 S88 D89K81-N85 PolarHBondContact O-N 2.89Å; L82-N85 PolarHBondContact O-N 3.29Å; N85-L87 VanDerWaalsContact C-N 3.28Å; N85-L87 PolarHBondContact O-N 3.39Å; N85-S88 WeakPolarHBondContact O-CB 3.44Å; N85-S88 PolarHBondContact O-N 3.45Å; N85-S88 VanDerWaalsContact O-N 3.17Å; N85-D89 PolarHBondContact O-N 3.4Å; N85-D89 VanDerWaalsContact O-N 3.1Å
86F95.6Very high93Very high115 Ų11591.3 Ų91.350%0.50445%0.445SS..Hα-helixtrans-56.1-43.4175.6170.6-98.2000112L82 M83 S88 D89 A90L82-F86 PolarHBondContact O-N 2.58Å; M83-F86 PolarHBondContact O-N 2.98Å; M83-F86 HydrophobicContact SD-CB 4.2Å; M83-F86 HydrophobicContact SD-CD1 3.48Å; M83-F86 WeakPolarHBondContact SD-CD1 3.11Å; M83-F86 HydrophobicContact SD-CE1 4.21Å; M83-F86 HydrophobicContact SD-CG 4.1Å; F86-S88 VanDerWaalsContact C-N 3.33Å; F86-S88 PolarHBondContact O-N 3.05Å; F86-D89 PolarHBondContact O-N 2.99Å; F86-A90 HydrophobicContact CE1-CB 4.26Å; F86-A90 HydrophobicContact CZ-CB 4.26Å; F86-A90 WeakPolarHBondContact O-CB 3.33Å; F86-A90 PolarHBondContact O-N 2.79Å
87L95.3Very high93.8Very high18 Ų1887.3 Ų87.39%0.09442%0.424CS..Hα-helixtrans-63.6-39.7179.7175.564.6000111.8I60 E64 L67 M83 S84 N85 R91I60-L87 HydrophobicContact CG2-CD1 3.79Å; E64-L87 HydrophobicContact CB-CD2 4.45Å; E64-L87 HydrophobicContact CG-CD1 3.39Å; E64-L87 HydrophobicContact CG-CD2 3.63Å; E64-L87 HydrophobicContact CG-CG 4.1Å; L67-L87 HydrophobicContact CD1-CB 4.21Å; L67-L87 HydrophobicContact CD1-CD2 3.77Å; M83-L87 WeakPolarHBondContact O-CB 3.38Å; M83-L87 PolarHBondContact O-N 3.29Å; S84-L87 PolarHBondContact O-N 2.99Å; N85-L87 VanDerWaalsContact C-N 3.28Å; N85-L87 PolarHBondContact O-N 3.39Å; L87-R91 HydrophobicContact CD1-CG 4.19Å; L87-R91 WeakPolarHBondContact O-CB 3.28Å; L87-R91 VanDerWaalsContact O-CG 3.27Å; L87-R91 WeakPolarHBondContact O-CG 3.42Å; L87-R91 PolarHBondContact O-N 3.41Å
88S95.3Very high94.2Very high75 Ų7586.7 Ų86.752%0.52443%0.425SS..Hα-helixtrans-59.3-51.6174.3-172.30000111S84 N85 F86 R91 E92S84-S88 PolarHBondContact O-N 3Å; S84-S88 VanDerWaalsContact O-N 3.08Å; N85-S88 WeakPolarHBondContact O-CB 3.44Å; N85-S88 PolarHBondContact O-N 3.45Å; N85-S88 VanDerWaalsContact O-N 3.17Å; F86-S88 VanDerWaalsContact C-N 3.33Å; F86-S88 PolarHBondContact O-N 3.05Å; S88-R91 PolarHBondContact O-N 3.44Å; S88-E92 PolarHBondContact O-N 2.81Å; S88-E92 VanDerWaalsContact O-N 3.08Å
89D96.4Very high94.7Very high96 Ų9683.6 Ų83.651%0.51342%0.418SS..Hα-helixtrans-63.8-44.2-179.8-64.8-11.9000111.4N85 F86 R91 E92 Q93N85-D89 PolarHBondContact O-N 3.4Å; N85-D89 VanDerWaalsContact O-N 3.1Å; F86-D89 PolarHBondContact O-N 2.99Å; D89-R91 PolarHBondContact O-N 3.38Å; D89-E92 PolarHBondContact O-N 2.93Å; D89-Q93 WeakPolarHBondContact O-CG 3.47Å; D89-Q93 PolarHBondContact O-N 3.37Å
90A96.5Very high95.1Very high19 Ų1986 Ų8616%0.15743%0.431CS..Hα-helixtrans-62.8-40.4179.700000112.1I60 F86 H94I60-A90 HydrophobicContact CD1-CB 4.23Å; I60-A90 WeakPolarHBondContact CD1-O 3.35Å; I60-A90 HydrophobicContact CG1-CB 4.18Å; F86-A90 HydrophobicContact CE1-CB 4.26Å; F86-A90 HydrophobicContact CZ-CB 4.26Å; F86-A90 WeakPolarHBondContact O-CB 3.33Å; F86-A90 PolarHBondContact O-N 2.79Å; A90-H94 VanDerWaalsContact O-CB 3.28Å; A90-H94 WeakPolarHBondContact O-CB 3.37Å; A90-H94 PolarHBondContact O-N 2.98Å
91R95.6Very high95.5Very high102 Ų10283.1 Ų83.139%0.38542%0.418SS..Hα-helixtrans-64-43.8174.3-79.5172.6165.5-177.5-5.6111.8I60 E64 L87 S88 D89 H94 Q95I60-R91 HydrophobicContact CG2-CG 3.87Å; E64-R91 IonicContact OE1-CZ 3.11Å; E64-R91 IonicContact OE1-NE 2.67Å; E64-R91 PolarHBondContact OE1-NE 2.92Å; E64-R91 IonicContact OE1-NH2 2.8Å; E64-R91 PolarHBondContact OE1-NH2 2.74Å; E64-R91 IonicContact OE2-CZ 3.91Å; E64-R91 IonicContact OE2-NH2 2.87Å; E64-R91 PolarHBondContact OE2-NH2 2.94Å; L87-R91 HydrophobicContact CD1-CG 4.19Å; L87-R91 WeakPolarHBondContact O-CB 3.28Å; L87-R91 VanDerWaalsContact O-CG 3.27Å; L87-R91 WeakPolarHBondContact O-CG 3.42Å; L87-R91 PolarHBondContact O-N 3.41Å; S88-R91 PolarHBondContact O-N 3.44Å; D89-R91 PolarHBondContact O-N 3.38Å; R91-H94 PolarHBondContact O-N 3.49Å; R91-Q95 WeakPolarHBondContact O-CB 3.35Å; R91-Q95 VanDerWaalsContact O-CG 3.25Å; R91-Q95 WeakPolarHBondContact O-CG 3.33Å; R91-Q95 PolarHBondContact O-N 3.49Å
92E96.9Very high95.9Very high121 Ų12181.4 Ų81.457%0.56541%0.412SS*.Hα-helixtrans-61.2-48177.9-174.8179-17800111S88 D89 Q95 L96S88-E92 PolarHBondContact O-N 2.81Å; S88-E92 VanDerWaalsContact O-N 3.08Å; D89-E92 PolarHBondContact O-N 2.93Å; E92-Q95 PolarHBondContact O-N 3.12Å; E92-L96 WeakPolarHBondContact O-CB 3.36Å; E92-L96 PolarHBondContact O-N 2.98Å
93Q97Very high96.1Very high101 Ų10182.6 Ų82.647%0.47241%0.412SS..Hα-helixtrans-64.1-42.2178.1-65.9-56.1-42.700112.3D89 L96 L97D89-Q93 WeakPolarHBondContact O-CG 3.47Å; D89-Q93 PolarHBondContact O-N 3.37Å; Q93-L96 PolarHBondContact O-N 3.21Å; Q93-L97 WeakPolarHBondContact O-CB 3.29Å; Q93-L97 PolarHBondContact O-N 2.89Å
94H97Very high96.2Very high27 Ų2783.8 Ų83.813%0.12542%0.418CS..Hα-helixtrans-62.1-45175.9176.2-94.6000112L53 M56 Q57 I60 A90 R91 L96 L97 A98L53-H94 PolarHBondContact O-NE2 3.41Å; M56-H94 HydrophobicContact SD-CB 4.05Å; Q57-H94 WeakPolarHBondContact CB-NE2 3.48Å; I60-H94 HydrophobicContact CD1-CB 3.47Å; I60-H94 VanDerWaalsContact CD1-CB 3.47Å; A90-H94 VanDerWaalsContact O-CB 3.28Å; A90-H94 WeakPolarHBondContact O-CB 3.37Å; A90-H94 PolarHBondContact O-N 2.98Å; R91-H94 PolarHBondContact O-N 3.49Å; H94-L96 VanDerWaalsContact C-N 3.32Å; H94-L96 PolarHBondContact O-N 3.4Å; H94-L97 PolarHBondContact O-N 3.42Å; H94-A98 WeakPolarHBondContact O-CB 3.38Å; H94-A98 PolarHBondContact O-N 3.46Å
95Q96.7Very high96.3Very high112 Ų11284.3 Ų84.352%0.52342%0.416SS..Hα-helixtrans-62.7-39.6177-75.3179.88.800112.1R91 E92 K99R91-Q95 WeakPolarHBondContact O-CB 3.35Å; R91-Q95 VanDerWaalsContact O-CG 3.25Å; R91-Q95 WeakPolarHBondContact O-CG 3.33Å; R91-Q95 PolarHBondContact O-N 3.49Å; E92-Q95 PolarHBondContact O-N 3.12Å; Q95-K99 VanDerWaalsContact O-CG 3.32Å; Q95-K99 WeakPolarHBondContact O-CG 3.49Å; Q95-K99 PolarHBondContact O-N 3.5Å
96L97.7Very high96.4Very high87 Ų8783.9 Ų83.946%0.45541%0.414SS..Hα-helixtrans-61.5-50.1174.7177.661.3000111E92 Q93 H94 A98 K99 M100E92-L96 WeakPolarHBondContact O-CB 3.36Å; E92-L96 PolarHBondContact O-N 2.98Å; Q93-L96 PolarHBondContact O-N 3.21Å; H94-L96 VanDerWaalsContact C-N 3.32Å; H94-L96 PolarHBondContact O-N 3.4Å; L96-A98 VanDerWaalsContact C-N 3.35Å; L96-A98 PolarHBondContact O-N 2.98Å; L96-K99 PolarHBondContact O-N 3.02Å; L96-M100 HydrophobicContact CD1-CG 4.5Å; L96-M100 HydrophobicContact CD1-SD 4.4Å; L96-M100 HydrophobicContact CG-SD 4.23Å; L96-M100 WeakPolarHBondContact O-CG 3.31Å; L96-M100 PolarHBondContact O-N 3.39Å
97L97.3Very high96.4Very high68 Ų6881.7 Ų81.736%0.35641%0.413SS..Hα-helixtrans-61.1-41.7178.4-104.268.6000112.3L53 M56 Q93 H94 M100 H101L53-L97 HydrophobicContact CD2-CB 3.76Å; L53-L97 HydrophobicContact CD2-CD2 4.02Å; L53-L97 HydrophobicContact CD2-CG 4.38Å; M56-L97 HydrophobicContact CE-CD2 4.08Å; M56-L97 HydrophobicContact SD-CD2 4.47Å; Q93-L97 WeakPolarHBondContact O-CB 3.29Å; Q93-L97 PolarHBondContact O-N 2.89Å; H94-L97 PolarHBondContact O-N 3.42Å; L97-M100 PolarHBondContact O-N 3.35Å; L97-H101 WeakPolarHBondContact O-CB 3.32Å; L97-H101 PolarHBondContact O-N 2.89Å
98A96.4Very high96.4Very high37 Ų3781.6 Ų81.631%0.30641%0.411SS..Hα-helixtrans-61.6-44.5176.800000111.7H94 L96 M100 H101 E102H94-A98 WeakPolarHBondContact O-CB 3.38Å; H94-A98 PolarHBondContact O-N 3.46Å; L96-A98 VanDerWaalsContact C-N 3.35Å; L96-A98 PolarHBondContact O-N 2.98Å; A98-M100 PolarHBondContact O-N 3.48Å; A98-H101 PolarHBondContact O-N 3.33Å; A98-E102 PolarHBondContact O-N 2.85Å
99K97.5Very high96.3Very high137 Ų13780.7 Ų80.760%0.59640%0.401SS*.Hα-helixtrans-62.5-40.4174.5-73.8173.2-178.1173.70112.2Q95 L96 K103Q95-K99 VanDerWaalsContact O-CG 3.32Å; Q95-K99 WeakPolarHBondContact O-CG 3.49Å; Q95-K99 PolarHBondContact O-N 3.5Å; L96-K99 PolarHBondContact O-N 3.02Å; K99-K103 WeakPolarHBondContact O-CB 3.42Å; K99-K103 PolarHBondContact O-N 3.48Å
100M97.5Very high96.3Very high118 Ų11880 Ų8058%0.58140%0.402SS*.Hα-helixtrans-64.8-40.3176.3-71.7177.567.800111.8L96 L97 A98 K103 M104L96-M100 HydrophobicContact CD1-CG 4.5Å; L96-M100 HydrophobicContact CD1-SD 4.4Å; L96-M100 HydrophobicContact CG-SD 4.23Å; L96-M100 WeakPolarHBondContact O-CG 3.31Å; L96-M100 PolarHBondContact O-N 3.39Å; L97-M100 PolarHBondContact O-N 3.35Å; A98-M100 PolarHBondContact O-N 3.48Å; M100-K103 PolarHBondContact O-N 3.5Å; M100-M104 WeakPolarHBondContact O-CB 3.46Å; M100-M104 PolarHBondContact O-N 2.89Å
101H96.6Very high96.2Very high39 Ų3981.7 Ų81.718%0.18141%0.408CS..Hα-helixtrans-66-42.8176.6178.9-95000112.3L53 L97 A98 M104 L105L53-H101 HydrophobicContact CD1-CB 3.46Å; L53-H101 VanDerWaalsContact CD1-CB 3.46Å; L53-H101 VanDerWaalsContact CD1-CG 3.41Å; L97-H101 WeakPolarHBondContact O-CB 3.32Å; L97-H101 PolarHBondContact O-N 2.89Å; A98-H101 PolarHBondContact O-N 3.33Å; H101-M104 WeakPolarHBondContact O-CB 3.49Å; H101-M104 PolarHBondContact O-N 3.12Å; H101-L105 WeakPolarHBondContact O-CG 3.17Å; H101-L105 PolarHBondContact O-N 3.24Å
102E96.3Very high96.2Very high120 Ų12076.8 Ų76.856%0.56139%0.39SS*.Hα-helixtrans-59-49.6172.8-175179.6-170.500111.1A98 M104 L105 D106A98-E102 PolarHBondContact O-N 2.85Å; E102-M104 VanDerWaalsContact C-N 3.27Å; E102-M104 PolarHBondContact O-N 3.47Å; E102-L105 PolarHBondContact O-N 3.29Å; E102-L105 VanDerWaalsContact O-N 3.11Å; E102-D106 PolarHBondContact O-N 2.65Å
103K97.1Very high96.1Very high150 Ų15078.8 Ų78.865%0.65240%0.397SS*.Hα-helixtrans-59.1-37.1176.5-175.2178.8179.1-178.90112.8K99 M100 S107K99-K103 WeakPolarHBondContact O-CB 3.42Å; K99-K103 PolarHBondContact O-N 3.48Å; M100-K103 PolarHBondContact O-N 3.5Å; K103-S107 WeakPolarHBondContact O-CB 3.28Å; K103-S107 PolarHBondContact O-N 3.39Å; K103-S107 PolarHBondContact O-OG 3.01Å
104M95.2Very high96Very high69 Ų6983.1 Ų83.134%0.3441%0.41SS..Hα-helixtrans-62.2-48.2175.3177.4-166.373.600110.8L49 M100 H101 E102 S107 Y108L49-M104 HydrophobicContact CD1-CE 4.28Å; L49-M104 HydrophobicContact CD1-SD 4.24Å; M100-M104 WeakPolarHBondContact O-CB 3.46Å; M100-M104 PolarHBondContact O-N 2.89Å; H101-M104 WeakPolarHBondContact O-CB 3.49Å; H101-M104 PolarHBondContact O-N 3.12Å; E102-M104 VanDerWaalsContact C-N 3.27Å; E102-M104 PolarHBondContact O-N 3.47Å; M104-S107 PolarHBondContact O-N 3.49Å; M104-Y108 PolarHBondContact O-N 2.9Å
105L94.6Very high95.9Very high63 Ų6386.9 Ų86.933%0.3343%0.426SS..Hα-helixtrans-63.3-42177.7-66.9179.1000111.9H101 E102 Y108 N109 I124H101-L105 WeakPolarHBondContact O-CG 3.17Å; H101-L105 PolarHBondContact O-N 3.24Å; E102-L105 PolarHBondContact O-N 3.29Å; E102-L105 VanDerWaalsContact O-N 3.11Å; L105-Y108 WeakPolarHBondContact O-CB 3.27Å; L105-Y108 PolarHBondContact O-N 3.22Å; L105-N109 PolarHBondContact O-N 3.44Å; L105-N109 PolarHBondContact O-ND2 2.83Å; L105-I124 HydrophobicContact CD2-CD1 3.9Å
106D96Very high95.8Very high88 Ų8885.9 Ų85.947%0.47144%0.437SS..Hα-helixtrans-63.2-43.8176.6-75.9-17.6000112.2E102 Y108 N109 C110E102-D106 PolarHBondContact O-N 2.65Å; D106-Y108 VanDerWaalsContact C-N 3.29Å; D106-Y108 PolarHBondContact O-N 3.5Å; D106-N109 PolarHBondContact O-N 3.4Å; D106-C110 PolarHBondContact O-N 2.88Å; D106-C110 PolarHBondContact O-SG 3.46Å; D106-C110 VanDerWaalsContact O-SG 3.35Å
107S95.3Very high95.6Very high69 Ų6986.6 Ų86.648%0.48344%0.437SS..Hα-helixtrans-60.7-41.2176.2-580000111.1K103 M104 C110 L111K103-S107 WeakPolarHBondContact O-CB 3.28Å; K103-S107 PolarHBondContact O-N 3.39Å; K103-S107 PolarHBondContact O-OG 3.01Å; M104-S107 PolarHBondContact O-N 3.49Å; S107-C110 PolarHBondContact O-N 3.36Å; S107-L111 WeakPolarHBondContact O-CB 3.38Å; S107-L111 PolarHBondContact O-N 3.33Å
108Y94.7Very high95.4Very high15 Ų1586.8 Ų86.86%0.05944%0.438CS..Hα-helixtrans-64-45174.6-177.2-107000112.3M104 L105 D106 C110 L111 M112 P119 Y122 T123 I124 F127M104-Y108 PolarHBondContact O-N 2.9Å; L105-Y108 WeakPolarHBondContact O-CB 3.27Å; L105-Y108 PolarHBondContact O-N 3.22Å; D106-Y108 VanDerWaalsContact C-N 3.29Å; D106-Y108 PolarHBondContact O-N 3.5Å; Y108-C110 VanDerWaalsContact C-N 3.31Å; Y108-C110 PolarHBondContact O-N 3.2Å; Y108-L111 WeakPolarHBondContact O-CB 3.47Å; Y108-L111 PolarHBondContact O-N 3Å; Y108-L111 VanDerWaalsContact O-N 3.12Å; Y108-M112 HydrophobicContact CD1-CG 4.06Å; Y108-M112 HydrophobicContact CD2-CE 4.33Å; Y108-M112 HydrophobicContact CD2-CG 4.49Å; Y108-M112 HydrophobicContact CE1-CG 3.61Å; Y108-M112 HydrophobicContact CE1-SD 4.23Å; Y108-M112 HydrophobicContact CE2-CE 3.67Å; Y108-M112 HydrophobicContact CE2-CG 4.1Å; Y108-M112 HydrophobicContact CE2-SD 4.07Å; Y108-M112 HydrophobicContact CG-CG 4.48Å; Y108-M112 WeakPolarHBondContact O-CG 3.44Å; Y108-M112 PolarHBondContact O-N 2.94Å; Y108-M112 PolarHBondContact OH-SD 3.24Å; Y108-P119 HydrophobicContact CE1-CB 4.23Å; Y108-Y122 PolarHBondContact OH-O 2.63Å; Y108-T123 PolarHBondContact OH-O 3Å; Y108-I124 HydrophobicContact CD1-CD1 4.11Å; Y108-I124 HydrophobicContact CD1-CG1 3.56Å; Y108-I124 HydrophobicContact CD2-CB 4.48Å; Y108-I124 HydrophobicContact CD2-CG1 3.77Å; Y108-I124 HydrophobicContact CE1-CG1 3.58Å; Y108-I124 HydrophobicContact CE2-CB 4.22Å; Y108-I124 HydrophobicContact CE2-CG1 3.78Å; Y108-I124 HydrophobicContact CG-CD1 4.11Å; Y108-I124 HydrophobicContact CG-CG1 3.65Å; Y108-I124 PolarHBondContact OH-N 3.28Å; Y108-F127 HydrophobicContact CE2-CB 4.07Å; Y108-F127 HydrophobicContact CE2-CD1 4.05Å; Y108-F127 HydrophobicContact CE2-CG 4.16Å
109N94.7Very high95.1Very high57 Ų5787 Ų8731%0.30544%0.437SS..Hα-helixtrans-62-39.3177-75.5-48.5000112.1L105 D106 M112 K113 P119L105-N109 PolarHBondContact O-N 3.44Å; L105-N109 PolarHBondContact O-ND2 2.83Å; D106-N109 PolarHBondContact O-N 3.4Å; N109-M112 PolarHBondContact O-N 3.49Å; N109-K113 VanDerWaalsContact O-CG 3.29Å; N109-K113 WeakPolarHBondContact O-CG 3.45Å; N109-K113 PolarHBondContact O-N 3.27Å; N109-P119 WeakPolarHBondContact OD1-CB 3.5Å
110C95.8Very high94.6Very high80 Ų8089.6 Ų89.654%0.54145%0.448SS..Hα-helixtrans-62.7-41.9172.8-72.90000111.8D106 S107 Y108 K113 Y114D106-C110 PolarHBondContact O-N 2.88Å; D106-C110 PolarHBondContact O-SG 3.46Å; D106-C110 VanDerWaalsContact O-SG 3.35Å; S107-C110 PolarHBondContact O-N 3.36Å; Y108-C110 VanDerWaalsContact C-N 3.31Å; Y108-C110 PolarHBondContact O-N 3.2Å; C110-K113 PolarHBondContact O-N 3.46Å; C110-Y114 WeakPolarHBondContact O-CB 3.07Å; C110-Y114 PolarHBondContact O-N 3.14Å
111L94.8Very high94.4Very high55 Ų5592 Ų9229%0.28846%0.455SS..Hα-helixtrans-62.9-45.7177.1-167.864.9000112S107 Y108 K113 Y114 F115 F127S107-L111 WeakPolarHBondContact O-CB 3.38Å; S107-L111 PolarHBondContact O-N 3.33Å; Y108-L111 WeakPolarHBondContact O-CB 3.47Å; Y108-L111 PolarHBondContact O-N 3Å; Y108-L111 VanDerWaalsContact O-N 3.12Å; L111-K113 VanDerWaalsContact C-N 3.35Å; L111-K113 PolarHBondContact O-N 2.93Å; L111-Y114 WeakPolarHBondContact O-CB 3.47Å; L111-Y114 PolarHBondContact O-N 3.42Å; L111-F115 HydrophobicContact CD1-CD2 3.89Å; L111-F115 HydrophobicContact CD1-CE2 3.52Å; L111-F115 HydrophobicContact CG-CD2 4.02Å; L111-F115 HydrophobicContact CG-CE2 4.08Å; L111-F115 WeakPolarHBondContact O-CD2 3.35Å; L111-F115 PolarHBondContact O-N 3.19Å; L111-F127 HydrophobicContact CD2-CD1 4.3Å; L111-F127 HydrophobicContact CD2-CE1 3.39Å; L111-F127 HydrophobicContact CD2-CZ 3.53Å; L111-F127 HydrophobicContact CG-CE1 4.49Å; L111-F127 HydrophobicContact CG-CZ 4.21Å
112M94.6Very high94.1Very high0 Ų092.3 Ų92.30%046%0.455CS..Hα-helixtrans-63.1-41177.4-68.9-57.998.300111.7Y108 N109 Y114 F115 A116 F117 P119 Y122 F127Y108-M112 HydrophobicContact CD1-CG 4.06Å; Y108-M112 HydrophobicContact CD2-CE 4.33Å; Y108-M112 HydrophobicContact CD2-CG 4.49Å; Y108-M112 HydrophobicContact CE1-CG 3.61Å; Y108-M112 HydrophobicContact CE1-SD 4.23Å; Y108-M112 HydrophobicContact CE2-CE 3.67Å; Y108-M112 HydrophobicContact CE2-CG 4.1Å; Y108-M112 HydrophobicContact CE2-SD 4.07Å; Y108-M112 HydrophobicContact CG-CG 4.48Å; Y108-M112 WeakPolarHBondContact O-CG 3.44Å; Y108-M112 PolarHBondContact O-N 2.94Å; Y108-M112 PolarHBondContact OH-SD 3.24Å; N109-M112 PolarHBondContact O-N 3.49Å; M112-Y114 PolarHBondContact O-N 3.3Å; M112-F115 CarbonylContact O-C 3.6Å; M112-F115 PolarHBondContact O-N 2.76Å; M112-A116 WeakPolarHBondContact O-CA 3.17Å; M112-A116 PolarHBondContact O-N 2.88Å; M112-F117 PolarHBondContact O-N 2.96Å; M112-F117 HydrophobicContact SD-CB 3.75Å; M112-F117 HydrophobicContact SD-CD2 4.46Å; M112-P119 HydrophobicContact CB-CB 4.32Å; M112-P119 HydrophobicContact CB-CG 3.71Å; M112-P119 HydrophobicContact CG-CB 4.09Å; M112-P119 HydrophobicContact CG-CG 4.05Å; M112-Y122 HydrophobicContact SD-CD1 4.07Å; M112-F127 HydrophobicContact CE-CB 4.44Å; M112-F127 HydrophobicContact CE-CD1 4.22Å; M112-F127 HydrophobicContact CE-CD2 3.49Å; M112-F127 VanDerWaalsContact CE-CD2 3.49Å; M112-F127 HydrophobicContact CE-CE1 4.39Å; M112-F127 HydrophobicContact CE-CE2 3.69Å; M112-F127 HydrophobicContact CE-CG 3.77Å; M112-F127 HydrophobicContact CE-CZ 4.14Å
113K94.5Very high93.9Very high162 Ų16289.8 Ų89.870%0.70445%0.448SS*.Hα-helixtrans-61.8-42.1172.7-73.4172.3-176.4175.90112.1N109 C110 L111 A116N109-K113 VanDerWaalsContact O-CG 3.29Å; N109-K113 WeakPolarHBondContact O-CG 3.45Å; N109-K113 PolarHBondContact O-N 3.27Å; C110-K113 PolarHBondContact O-N 3.46Å; L111-K113 VanDerWaalsContact C-N 3.35Å; L111-K113 PolarHBondContact O-N 2.93Å; K113-A116 PolarHBondContact O-N 3.25Å
114Y95.8Very high93.7Very high192 Ų19283.7 Ų83.775%0.75342%0.422SS*.Hα-helixtrans-62.8-43.4179.2-179.5-98000112.3C110 L111 M112 A116C110-Y114 WeakPolarHBondContact O-CB 3.07Å; C110-Y114 PolarHBondContact O-N 3.14Å; L111-Y114 WeakPolarHBondContact O-CB 3.47Å; L111-Y114 PolarHBondContact O-N 3.42Å; M112-Y114 PolarHBondContact O-N 3.3Å; Y114-A116 VanDerWaalsContact C-N 3.3Å; Y114-A116 PolarHBondContact O-N 3.41Å
115F94.5Very high93.4Very high106 Ų10681.6 Ų81.647%0.46542%0.418SS..THydrogen-bonded Turntrans-86.85.9176.9-71.2-69.8000114.3L111 M112 F117L111-F115 HydrophobicContact CD1-CD2 3.89Å; L111-F115 HydrophobicContact CD1-CE2 3.52Å; L111-F115 HydrophobicContact CG-CD2 4.02Å; L111-F115 HydrophobicContact CG-CE2 4.08Å; L111-F115 WeakPolarHBondContact O-CD2 3.35Å; L111-F115 PolarHBondContact O-N 3.19Å; M112-F115 CarbonylContact O-C 3.6Å; M112-F115 PolarHBondContact O-N 2.76Å; F115-F117 VanDerWaalsContact C-N 3.28Å; F115-F117 HydrophobicContact CB-CD2 3.49Å; F115-F117 VanDerWaalsContact CB-CD2 3.49Å; F115-F117 HydrophobicContact CB-CE2 3.63Å; F115-F117 HydrophobicContact CG-CE2 4.42Å; F115-F117 PolarHBondContact O-N 2.97Å
116A95.4Very high93.3Very high92 Ų9283 Ų8376%0.7643%0.426SS*.THydrogen-bonded Turntrans5536.4-177.700000114.7M112 K113 Y114M112-A116 WeakPolarHBondContact O-CA 3.17Å; M112-A116 PolarHBondContact O-N 2.88Å; K113-A116 PolarHBondContact O-N 3.25Å; Y114-A116 VanDerWaalsContact C-N 3.3Å; Y114-A116 PolarHBondContact O-N 3.41Å
117F93.8Very high93.3Very high101 Ų10179.6 Ų79.644%0.44341%0.406SS..  trans-97.3154.2171.8-67-58.3000112M112 F115 P119 Y122M112-F117 PolarHBondContact O-N 2.96Å; M112-F117 HydrophobicContact SD-CB 3.75Å; M112-F117 HydrophobicContact SD-CD2 4.46Å; F115-F117 VanDerWaalsContact C-N 3.28Å; F115-F117 HydrophobicContact CB-CD2 3.49Å; F115-F117 VanDerWaalsContact CB-CD2 3.49Å; F115-F117 HydrophobicContact CB-CE2 3.63Å; F115-F117 HydrophobicContact CG-CE2 4.42Å; F115-F117 PolarHBondContact O-N 2.97Å; F117-P119 WeakPolarHBondContact O-CD 3.46Å; F117-Y122 HydrophobicContact CB-CD1 4.2Å; F117-Y122 HydrophobicContact CD1-CD1 4.33Å; F117-Y122 HydrophobicContact CD2-CD1 4.08Å; F117-Y122 HydrophobicContact CD2-CE1 4.17Å; F117-Y122 HydrophobicContact CE2-CE1 4.24Å; F117-Y122 AromaticContact CG-CD1 3.96Å; F117-Y122 HydrophobicContact CG-CD1 3.96Å; F117-Y122 HydrophobicContact CG-CE1 4.39Å
118D92.2Very high93.3Very high72 Ų7278.4 Ų78.439%0.38539%0.393SS..  trans-86.5113.4172.5-178-7.8000109.8K120 K121 Y122D118-K120 PolarHBondContact O-N 3.02Å; D118-K120 WeakPolarHBondContact OD1-CB 3.45Å; D118-K120 PolarHBondContact OD1-N 3.5Å; D118-K121 HydrophobicContact CB-CB 4.24Å; D118-K121 HydrophobicContact CB-CD 4.29Å; D118-K121 HydrophobicContact CB-CG 4.26Å; D118-K121 PolarHBondContact O-N 2.8Å; D118-K121 VanDerWaalsContact O-N 3.07Å; D118-Y122 PolarHBondContact O-N 3.2Å
119P89.7Confident93.3Very high43 Ų4379 Ų7928%0.27940%0.404SS..THydrogen-bonded Turntrans-58.4-22-179.2-17.125.6000114.1Y108 N109 M112 F117 Y122Y108-P119 HydrophobicContact CE1-CB 4.23Å; N109-P119 WeakPolarHBondContact OD1-CB 3.5Å; M112-P119 HydrophobicContact CB-CB 4.32Å; M112-P119 HydrophobicContact CB-CG 3.71Å; M112-P119 HydrophobicContact CG-CB 4.09Å; M112-P119 HydrophobicContact CG-CG 4.05Å; F117-P119 WeakPolarHBondContact O-CD 3.46Å; P119-Y122 VanDerWaalsContact O-O 3.1Å
120K88.4Confident93.3Very high190 Ų19080.4 Ų80.483%0.82641%0.411SS*.THydrogen-bonded Turntrans-80.4-32.8179.4-62.7-176.5179.2-177.80112.5D118D118-K120 PolarHBondContact O-N 3.02Å; D118-K120 WeakPolarHBondContact OD1-CB 3.45Å; D118-K120 PolarHBondContact OD1-N 3.5Å
121K91.7Very high93.3Very high169 Ų16978.4 Ų78.474%0.73540%0.395SS*.THydrogen-bonded Turntrans-87.4-36.8-179.6-67.1-177.5-177.4179.50111.6D118D118-K121 HydrophobicContact CB-CB 4.24Å; D118-K121 HydrophobicContact CB-CD 4.29Å; D118-K121 HydrophobicContact CB-CG 4.26Å; D118-K121 PolarHBondContact O-N 2.8Å; D118-K121 VanDerWaalsContact O-N 3.07Å
122Y92.1Very high93.3Very high45 Ų4577 Ų7718%0.17639%0.389CS..SBendtrans-106.198.8178.6-157.9-159000108Y108 M112 F117 D118 P119 L126 F127 D130Y108-Y122 PolarHBondContact OH-O 2.63Å; M112-Y122 HydrophobicContact SD-CD1 4.07Å; F117-Y122 HydrophobicContact CB-CD1 4.2Å; F117-Y122 HydrophobicContact CD1-CD1 4.33Å; F117-Y122 HydrophobicContact CD2-CD1 4.08Å; F117-Y122 HydrophobicContact CD2-CE1 4.17Å; F117-Y122 HydrophobicContact CE2-CE1 4.24Å; F117-Y122 AromaticContact CG-CD1 3.96Å; F117-Y122 HydrophobicContact CG-CD1 3.96Å; F117-Y122 HydrophobicContact CG-CE1 4.39Å; D118-Y122 PolarHBondContact O-N 3.2Å; P119-Y122 VanDerWaalsContact O-O 3.1Å; Y122-L126 HydrophobicContact CD2-CB 3.75Å; Y122-L126 HydrophobicContact CE2-CB 3.8Å; Y122-F127 HydrophobicContact CD1-CB 4.16Å; Y122-F127 HydrophobicContact CD1-CD2 4.06Å; Y122-F127 HydrophobicContact CE1-CB 3.97Å; Y122-F127 AromaticContact CE1-CD2 3.48Å; Y122-F127 HydrophobicContact CE1-CD2 3.48Å; Y122-F127 VanDerWaalsContact CE1-CD2 3.48Å; Y122-F127 HydrophobicContact CE1-CE2 4.46Å; Y122-F127 HydrophobicContact CE1-CG 4.21Å; Y122-F127 HydrophobicContact CE2-CB 4.29Å; Y122-F127 HydrophobicContact CG-CB 4.45Å; Y122-F127 VanDerWaalsContact CZ-CA 3.48Å; Y122-D130 WeakPolarHBondContact OH-CB 3.41Å; Y122-D130 PolarHBondContact OH-OD2 3.39Å; Y122-D130 VanDerWaalsContact OH-OD2 3.07Å
123T90.9Very high93.3Very high67 Ų6781.7 Ų81.741%0.41141%0.414SS..  trans-75.8158.8-178.665.30000110.7Y108 G125 L126 F127Y108-T123 PolarHBondContact OH-O 3Å; T123-G125 VanDerWaalsContact C-N 3.25Å; T123-G125 PolarHBondContact O-N 3.43Å; T123-L126 PolarHBondContact O-N 3.27Å; T123-L126 WeakPolarHBondContact OG1-CG 3.2Å; T123-F127 PolarHBondContact O-N 2.5Å
124I92.5Very high93.3Very high23 Ų2377.3 Ų77.312%0.11840%0.396CS..Hα-helixtrans-51.9-45.7-178.7-60.9174.7000111.3P46 L105 Y108 F127 F128P46-I124 HydrophobicContact CB-CD1 4.13Å; P46-I124 HydrophobicContact CG-CB 4.32Å; L105-I124 HydrophobicContact CD2-CD1 3.9Å; Y108-I124 HydrophobicContact CD1-CD1 4.11Å; Y108-I124 HydrophobicContact CD1-CG1 3.56Å; Y108-I124 HydrophobicContact CD2-CB 4.48Å; Y108-I124 HydrophobicContact CD2-CG1 3.77Å; Y108-I124 HydrophobicContact CE1-CG1 3.58Å; Y108-I124 HydrophobicContact CE2-CB 4.22Å; Y108-I124 HydrophobicContact CE2-CG1 3.78Å; Y108-I124 HydrophobicContact CG-CD1 4.11Å; Y108-I124 HydrophobicContact CG-CG1 3.65Å; Y108-I124 PolarHBondContact OH-N 3.28Å; I124-F127 PolarHBondContact O-N 2.86Å; I124-F128 HydrophobicContact CG2-CD2 3.68Å; I124-F128 HydrophobicContact CG2-CE2 3.86Å; I124-F128 WeakPolarHBondContact O-CD2 3.29Å; I124-F128 PolarHBondContact O-N 3.22Å
125G90.6Very high93.2Very high24 Ų2470.2 Ų70.225%0.24737%0.369CS..Hα-helixtrans-65.1-38.8179.300000113.6T123 G129T123-G125 VanDerWaalsContact C-N 3.25Å; T123-G125 PolarHBondContact O-N 3.43Å; G125-G129 WeakPolarHBondContact O-CA 3.28Å; G125-G129 PolarHBondContact O-N 3.03Å
126L92.3Very high93.2Very high93 Ų9367.4 Ų67.449%0.48737%0.365SS..Hα-helixtrans-67.1-45.9175.5-71.3174.1000111Y122 T123 G129 D130Y122-L126 HydrophobicContact CD2-CB 3.75Å; Y122-L126 HydrophobicContact CE2-CB 3.8Å; T123-L126 PolarHBondContact O-N 3.27Å; T123-L126 WeakPolarHBondContact OG1-CG 3.2Å; L126-G129 PolarHBondContact O-N 2.82Å; L126-D130 PolarHBondContact O-N 2.89Å
127F94.8Very high93.1Very high16 Ų1664.8 Ų64.87%0.0734%0.34CS..Hα-helixtrans-58.7-52.9179.2172.7-99.2000112.7Y108 L111 M112 Y122 T123 I124 G129 D130 L131Y108-F127 HydrophobicContact CE2-CB 4.07Å; Y108-F127 HydrophobicContact CE2-CD1 4.05Å; Y108-F127 HydrophobicContact CE2-CG 4.16Å; L111-F127 HydrophobicContact CD2-CD1 4.3Å; L111-F127 HydrophobicContact CD2-CE1 3.39Å; L111-F127 HydrophobicContact CD2-CZ 3.53Å; L111-F127 HydrophobicContact CG-CE1 4.49Å; L111-F127 HydrophobicContact CG-CZ 4.21Å; M112-F127 HydrophobicContact CE-CB 4.44Å; M112-F127 HydrophobicContact CE-CD1 4.22Å; M112-F127 HydrophobicContact CE-CD2 3.49Å; M112-F127 VanDerWaalsContact CE-CD2 3.49Å; M112-F127 HydrophobicContact CE-CE1 4.39Å; M112-F127 HydrophobicContact CE-CE2 3.69Å; M112-F127 HydrophobicContact CE-CG 3.77Å; M112-F127 HydrophobicContact CE-CZ 4.14Å; Y122-F127 HydrophobicContact CD1-CB 4.16Å; Y122-F127 HydrophobicContact CD1-CD2 4.06Å; Y122-F127 HydrophobicContact CE1-CB 3.97Å; Y122-F127 AromaticContact CE1-CD2 3.48Å; Y122-F127 HydrophobicContact CE1-CD2 3.48Å; Y122-F127 VanDerWaalsContact CE1-CD2 3.48Å; Y122-F127 HydrophobicContact CE1-CE2 4.46Å; Y122-F127 HydrophobicContact CE1-CG 4.21Å; Y122-F127 HydrophobicContact CE2-CB 4.29Å; Y122-F127 HydrophobicContact CG-CB 4.45Å; Y122-F127 VanDerWaalsContact CZ-CA 3.48Å; T123-F127 PolarHBondContact O-N 2.5Å; I124-F127 PolarHBondContact O-N 2.86Å; F127-G129 VanDerWaalsContact C-N 3.33Å; F127-D130 PolarHBondContact O-N 2.96Å; F127-L131 HydrophobicContact CE1-CD2 4.17Å; F127-L131 HydrophobicContact CZ-CD2 4.21Å; F127-L131 WeakPolarHBondContact O-CB 3.27Å; F127-L131 PolarHBondContact O-N 3.15Å
128F95.4Very high93.1Very high44 Ų4460.1 Ų60.119%0.19332%0.319CS..Hα-helixtrans-71.9-28.9179.5-75.5-70.4000112.3V38 A41 A42 I124 L131 S132V38-F128 HydrophobicContact CG1-CD1 4.35Å; A41-F128 HydrophobicContact CB-CB 4.08Å; A41-F128 HydrophobicContact CB-CD1 3.63Å; A41-F128 HydrophobicContact CB-CD2 3.81Å; A41-F128 HydrophobicContact CB-CE1 3.94Å; A41-F128 HydrophobicContact CB-CE2 4.11Å; A41-F128 HydrophobicContact CB-CG 3.56Å; A41-F128 HydrophobicContact CB-CZ 4.17Å; A42-F128 HydrophobicContact CB-CB 4.04Å; A42-F128 WeakPolarHBondContact CB-O 3.34Å; I124-F128 HydrophobicContact CG2-CD2 3.68Å; I124-F128 HydrophobicContact CG2-CE2 3.86Å; I124-F128 WeakPolarHBondContact O-CD2 3.29Å; I124-F128 PolarHBondContact O-N 3.22Å; F128-L131 HydrophobicContact CD1-CD2 4.39Å; F128-L131 PolarHBondContact O-N 2.91Å; F128-S132 WeakPolarHBondContact O-CB 3.28Å; F128-S132 PolarHBondContact O-N 3.42Å
129G95Very high93.2Very high28 Ų2860.2 Ų60.229%0.28932%0.317SS..Hα-helixtrans-60.7-50.5171.900000112.4G125 L126 F127 S132 N133G125-G129 WeakPolarHBondContact O-CA 3.28Å; G125-G129 PolarHBondContact O-N 3.03Å; L126-G129 PolarHBondContact O-N 2.82Å; F127-G129 VanDerWaalsContact C-N 3.33Å; G129-S132 PolarHBondContact O-N 3.24Å; G129-N133 WeakPolarHBondContact O-CB 3.42Å; G129-N133 PolarHBondContact O-N 3.25Å
130D94.9Very high93.4Very high86 Ų8663 Ų6346%0.4633%0.333SS..Hα-helixtrans-65.4-40.9177-75.8-18.6000111.6Y122 L126 F127 N133 F134Y122-D130 WeakPolarHBondContact OH-CB 3.41Å; Y122-D130 PolarHBondContact OH-OD2 3.39Å; Y122-D130 VanDerWaalsContact OH-OD2 3.07Å; L126-D130 PolarHBondContact O-N 2.89Å; F127-D130 PolarHBondContact O-N 2.96Å; D130-N133 PolarHBondContact O-N 2.7Å; D130-F134 WeakPolarHBondContact O-CB 3.37Å; D130-F134 PolarHBondContact O-N 3.49Å
131L95Very high93.6Very high39 Ų3954.1 Ų54.120%0.20430%0.295CS..Hα-helixtrans-66.2-39.1176.8-170.563.3000112.1F35 V38 F127 F128 F134 K135F35-L131 HydrophobicContact CE2-CD1 4.22Å; V38-L131 HydrophobicContact CG1-CB 3.95Å; V38-L131 HydrophobicContact CG1-CD2 3.89Å; V38-L131 HydrophobicContact CG1-CG 3.75Å; V38-L131 HydrophobicContact CG2-CD2 3.74Å; V38-L131 HydrophobicContact CG2-CG 4.34Å; F127-L131 HydrophobicContact CE1-CD2 4.17Å; F127-L131 HydrophobicContact CZ-CD2 4.21Å; F127-L131 WeakPolarHBondContact O-CB 3.27Å; F127-L131 PolarHBondContact O-N 3.15Å; F128-L131 HydrophobicContact CD1-CD2 4.39Å; F128-L131 PolarHBondContact O-N 2.91Å; L131-F134 PolarHBondContact O-N 3.39Å; L131-K135 WeakPolarHBondContact O-CB 3.39Å; L131-K135 PolarHBondContact O-N 3.43Å
132S95.4Very high93.6Very high24 Ų2447 Ų4717%0.16827%0.265CS..Hα-helixtrans-64.7-43.8174.9175.20000111.1F128 G129 K135 A136F128-S132 WeakPolarHBondContact O-CB 3.28Å; F128-S132 PolarHBondContact O-N 3.42Å; G129-S132 PolarHBondContact O-N 3.24Å; S132-K135 PolarHBondContact O-N 3.15Å; S132-A136 PolarHBondContact O-N 2.97Å
133N94.7Very high93.6Very high99 Ų9949.9 Ų49.953%0.52928%0.28SS..Hα-helixtrans-63.4-44.8174.5-175.837.4000111.3G129 D130 K135 A136 V137G129-N133 WeakPolarHBondContact O-CB 3.42Å; G129-N133 PolarHBondContact O-N 3.25Å; D130-N133 PolarHBondContact O-N 2.7Å; N133-K135 PolarHBondContact O-N 3Å; N133-A136 PolarHBondContact O-N 3.31Å; N133-V137 WeakPolarHBondContact O-CB 3.35Å; N133-V137 VanDerWaalsContact O-CG2 3.28Å; N133-V137 WeakPolarHBondContact O-CG2 3.48Å; N133-V137 PolarHBondContact O-N 2.61Å
134F94.8Very high93.7Very high71 Ų7149.2 Ų49.231%0.31128%0.279SS..Hα-helixtrans-57.5-46.9175174.2-95.8000111.8M14 F31 D130 L131 V137 Y138M14-F134 HydrophobicContact CE-CD2 3.82Å; M14-F134 HydrophobicContact CE-CE2 3.38Å; M14-F134 HydrophobicContact CE-CZ 3.94Å; M14-F134 HydrophobicContact SD-CD2 4.49Å; M14-F134 HydrophobicContact SD-CE2 3.88Å; F31-F134 HydrophobicContact CE2-CE1 4.14Å; F31-F134 AromaticContact CZ-CE1 3.88Å; F31-F134 HydrophobicContact CZ-CE1 3.88Å; F31-F134 HydrophobicContact CZ-CZ 4.37Å; D130-F134 WeakPolarHBondContact O-CB 3.37Å; D130-F134 PolarHBondContact O-N 3.49Å; L131-F134 PolarHBondContact O-N 3.39Å; F134-V137 PolarHBondContact O-N 3Å; F134-Y138 VanDerWaalsContact O-CB 3.27Å; F134-Y138 WeakPolarHBondContact O-CB 3.42Å; F134-Y138 PolarHBondContact O-N 2.78Å
135K94Very high93.6Very high42 Ų4248.2 Ų48.218%0.18327%0.273CS..Hα-helixtrans-57.4-49.9176-177.2-178.5-172.7-75.30111.3T32 F35 L131 S132 N133 V137 Y138 E139T32-K135 HydrophobicContact CG2-CG 4.21Å; T32-K135 WeakPolarHBondContact O-CE 3.48Å; F35-K135 HydrophobicContact CB-CD 3.92Å; F35-K135 VanDerWaalsContact O-CE 3.31Å; F35-K135 WeakPolarHBondContact O-CE 3.01Å; L131-K135 WeakPolarHBondContact O-CB 3.39Å; L131-K135 PolarHBondContact O-N 3.43Å; S132-K135 PolarHBondContact O-N 3.15Å; N133-K135 PolarHBondContact O-N 3Å; K135-V137 PolarHBondContact O-N 2.94Å; K135-Y138 PolarHBondContact O-N 2.91Å; K135-E139 WeakPolarHBondContact CE-OE1 3.03Å; K135-E139 IonicContact NZ-OE1 3.81Å; K135-E139 PolarHBondContact NZ-OE1 2.9Å; K135-E139 IonicContact NZ-OE2 2.82Å; K135-E139 WeakPolarHBondContact O-CG 3.24Å; K135-E139 PolarHBondContact O-N 3.37Å
136A93.8Very high93.6Very high47 Ų4750.9 Ų50.939%0.38828%0.281SS..Hα-helixtrans-61.8-44.9179.800000112.2S132 N133 Y138 E139 V140S132-A136 PolarHBondContact O-N 2.97Å; N133-A136 PolarHBondContact O-N 3.31Å; A136-Y138 VanDerWaalsContact C-N 3.34Å; A136-Y138 PolarHBondContact O-N 3.03Å; A136-E139 PolarHBondContact O-N 3.32Å; A136-V140 VanDerWaalsContact O-CG2 3.32Å; A136-V140 WeakPolarHBondContact O-CG2 3.21Å; A136-V140 PolarHBondContact O-N 3.05Å; A136-V140 VanDerWaalsContact O-N 3.12Å
137V93.4Very high93.6Very high38 Ų3851.9 Ų51.923%0.2328%0.282CS..Hα-helixtrans-62.1-43.1175.7167.60000111.1T2 M14 N133 F134 K135 A141T2-V137 HydrophobicContact CG2-CB 4.33Å; T2-V137 HydrophobicContact CG2-CG1 3.34Å; T2-V137 HydrophobicContact CG2-CG2 4.02Å; M14-V137 HydrophobicContact CE-CG1 4.12Å; M14-V137 HydrophobicContact CG-CG1 4.03Å; N133-V137 WeakPolarHBondContact O-CB 3.35Å; N133-V137 VanDerWaalsContact O-CG2 3.28Å; N133-V137 WeakPolarHBondContact O-CG2 3.48Å; N133-V137 PolarHBondContact O-N 2.61Å; F134-V137 PolarHBondContact O-N 3Å; K135-V137 PolarHBondContact O-N 2.94Å; V137-A141 VanDerWaalsContact O-CB 3.28Å; V137-A141 WeakPolarHBondContact O-CB 3.02Å; V137-A141 PolarHBondContact O-N 3.32Å
138Y94.4Very high93.4Very high2 Ų253.8 Ų53.81%0.00829%0.291CS..Hα-helixtrans-62.9-47.6179.1-178-86.4000111.3M14 I18 L29 F31 T32 F134 K135 A136 V140 A141 N142M14-Y138 HydrophobicContact CE-CD2 3.87Å; M14-Y138 HydrophobicContact CE-CG 4.33Å; I18-Y138 HydrophobicContact CD1-CD2 3.98Å; I18-Y138 HydrophobicContact CD1-CE2 3.96Å; I18-Y138 HydrophobicContact CD1-CG 4.47Å; I18-Y138 HydrophobicContact CG1-CD2 3.96Å; I18-Y138 HydrophobicContact CG1-CE2 3.46Å; I18-Y138 VanDerWaalsContact CG1-CE2 3.46Å; L29-Y138 PolarHBondContact O-OH 3.29Å; F31-Y138 HydrophobicContact CD1-CE1 4.43Å; F31-Y138 HydrophobicContact CE1-CD1 4.28Å; F31-Y138 HydrophobicContact CE1-CD2 4.08Å; F31-Y138 AromaticContact CE1-CE1 3.76Å; F31-Y138 HydrophobicContact CE1-CE1 3.76Å; F31-Y138 AromaticContact CE1-CE2 3.53Å; F31-Y138 HydrophobicContact CE1-CE2 3.53Å; F31-Y138 HydrophobicContact CE1-CG 4.42Å; F31-Y138 AromaticContact CE1-CZ 3.35Å; F31-Y138 HydrophobicContact CZ-CD1 4.28Å; F31-Y138 HydrophobicContact CZ-CD2 4.02Å; F31-Y138 HydrophobicContact CZ-CE1 4.21Å; F31-Y138 AromaticContact CZ-CE2 3.96Å; F31-Y138 HydrophobicContact CZ-CE2 3.96Å; F31-Y138 HydrophobicContact CZ-CG 4.18Å; T32-Y138 HydrophobicContact CG2-CD1 3.39Å; T32-Y138 HydrophobicContact CG2-CE1 3.86Å; T32-Y138 HydrophobicContact CG2-CG 4.13Å; F134-Y138 VanDerWaalsContact O-CB 3.27Å; F134-Y138 WeakPolarHBondContact O-CB 3.42Å; F134-Y138 PolarHBondContact O-N 2.78Å; K135-Y138 PolarHBondContact O-N 2.91Å; A136-Y138 VanDerWaalsContact C-N 3.34Å; A136-Y138 PolarHBondContact O-N 3.03Å; Y138-V140 PolarHBondContact O-N 3.5Å; Y138-A141 PolarHBondContact O-N 3.24Å; Y138-N142 HydrophobicContact CD1-CB 4.41Å; Y138-N142 HydrophobicContact CE1-CB 4.22Å; Y138-N142 WeakPolarHBondContact O-CB 3.43Å; Y138-N142 PolarHBondContact O-N 3.42Å
139E93.4Very high93.1Very high75 Ų7553.5 Ų53.535%0.3529%0.291SS..Hα-helixtrans-59.9-45.8179.4-74.5172.5171.700111.8K135 A136 N142 E143K135-E139 WeakPolarHBondContact CE-OE1 3.03Å; K135-E139 IonicContact NZ-OE1 3.81Å; K135-E139 PolarHBondContact NZ-OE1 2.9Å; K135-E139 IonicContact NZ-OE2 2.82Å; K135-E139 WeakPolarHBondContact O-CG 3.24Å; K135-E139 PolarHBondContact O-N 3.37Å; A136-E139 PolarHBondContact O-N 3.32Å; E139-N142 PolarHBondContact O-N 3.44Å; E139-E143 PolarHBondContact O-N 2.93Å
140V93.7Very high92.9Very high100 Ų10056.3 Ų56.361%0.60630%0.297SS*.Hα-helixtrans-62.9-45.1176.6172.70000111.3A136 Y138 N142 S144A136-V140 VanDerWaalsContact O-CG2 3.32Å; A136-V140 WeakPolarHBondContact O-CG2 3.21Å; A136-V140 PolarHBondContact O-N 3.05Å; A136-V140 VanDerWaalsContact O-N 3.12Å; Y138-V140 PolarHBondContact O-N 3.5Å; V140-N142 VanDerWaalsContact C-N 3.33Å; V140-N142 PolarHBondContact O-N 2.96Å; V140-S144 WeakPolarHBondContact O-CB 3.35Å; V140-S144 PolarHBondContact O-N 3.27Å
141A92.5Very high92.8Very high4 Ų457 Ų573%0.03330%0.298CS..Hα-helixtrans-66.1-36.5177.900000111.7M14 I18 V137 Y138 S144 V145M14-A141 HydrophobicContact CB-CB 4.22Å; I18-A141 HydrophobicContact CD1-CB 3.49Å; I18-A141 VanDerWaalsContact CD1-CB 3.49Å; V137-A141 VanDerWaalsContact O-CB 3.28Å; V137-A141 WeakPolarHBondContact O-CB 3.02Å; V137-A141 PolarHBondContact O-N 3.32Å; Y138-A141 PolarHBondContact O-N 3.24Å; A141-S144 WeakPolarHBondContact O-CB 3.24Å; A141-S144 PolarHBondContact O-N 3.31Å; A141-V145 WeakPolarHBondContact O-CB 3.49Å; A141-V145 VanDerWaalsContact O-CG2 3.29Å; A141-V145 WeakPolarHBondContact O-CG2 3.25Å; A141-V145 PolarHBondContact O-N 2.93Å
142N92.5Very high92.6Very high21 Ų2158.8 Ų58.811%0.11231%0.307CS..Hα-helixtrans-67.2-45.5178.8-170.726.4000110.7I18 Y138 E139 V140 S144 V145 L146I18-N142 HydrophobicContact CD1-CB 4.08Å; I18-N142 HydrophobicContact CG2-CB 4.32Å; I18-N142 WeakPolarHBondContact CG2-OD1 3.45Å; Y138-N142 HydrophobicContact CD1-CB 4.41Å; Y138-N142 HydrophobicContact CE1-CB 4.22Å; Y138-N142 WeakPolarHBondContact O-CB 3.43Å; Y138-N142 PolarHBondContact O-N 3.42Å; E139-N142 PolarHBondContact O-N 3.44Å; V140-N142 VanDerWaalsContact C-N 3.33Å; V140-N142 PolarHBondContact O-N 2.96Å; N142-S144 VanDerWaalsContact C-N 3.31Å; N142-S144 PolarHBondContact O-N 3.46Å; N142-V145 PolarHBondContact O-N 2.81Å; N142-L146 WeakPolarHBondContact O-CB 3.25Å; N142-L146 VanDerWaalsContact O-CG 3.24Å; N142-L146 WeakPolarHBondContact O-CG 3.3Å; N142-L146 PolarHBondContact O-N 3.12Å
143E92.8Very high92.5Very high104 Ų10464.1 Ų64.149%0.48632%0.323SS..Hα-helixtrans-60-42.4173.5-169-174.6174.800111.7E139 L146 K147E139-E143 PolarHBondContact O-N 2.93Å; E143-L146 PolarHBondContact O-N 2.86Å; E143-K147 HydrophobicContact CG-CD 4.35Å; E143-K147 WeakPolarHBondContact O-CB 3.42Å; E143-K147 WeakPolarHBondContact O-CG 3.42Å; E143-K147 PolarHBondContact O-N 3.07Å; E143-K147 WeakPolarHBondContact OE1-CE 3.1Å; E143-K147 IonicContact OE1-NZ 2.65Å; E143-K147 PolarHBondContact OE1-NZ 2.82Å
144S91.9Very high92.4Very high54 Ų5462.8 Ų62.838%0.37831%0.314SS..Hα-helixtrans-61.3-47.2176.4-171.30000112.1V140 A141 N142 K147 E148V140-S144 WeakPolarHBondContact O-CB 3.35Å; V140-S144 PolarHBondContact O-N 3.27Å; A141-S144 WeakPolarHBondContact O-CB 3.24Å; A141-S144 PolarHBondContact O-N 3.31Å; N142-S144 VanDerWaalsContact C-N 3.31Å; N142-S144 PolarHBondContact O-N 3.46Å; S144-K147 PolarHBondContact O-N 3.26Å; S144-E148 WeakPolarHBondContact O-CB 3.26Å; S144-E148 PolarHBondContact O-N 3.03Å
145V90.8Very high92.4Very high1 Ų165.7 Ų65.71%0.00632%0.324CS..Hα-helixtrans-62.8-43.4178.1166.10000111.2H15 I18 D19 A141 N142 K147 E148 N149H15-V145 HydrophobicContact CB-CG2 3.94Å; I18-V145 HydrophobicContact CB-CG2 4.33Å; I18-V145 HydrophobicContact CG2-CB 3.95Å; I18-V145 HydrophobicContact CG2-CG1 3.89Å; I18-V145 HydrophobicContact CG2-CG2 4.06Å; D19-V145 WeakPolarHBondContact OD1-CG1 3.43Å; A141-V145 WeakPolarHBondContact O-CB 3.49Å; A141-V145 VanDerWaalsContact O-CG2 3.29Å; A141-V145 WeakPolarHBondContact O-CG2 3.25Å; A141-V145 PolarHBondContact O-N 2.93Å; N142-V145 PolarHBondContact O-N 2.81Å; V145-K147 PolarHBondContact O-N 3.23Å; V145-E148 PolarHBondContact O-N 2.9Å; V145-N149 WeakPolarHBondContact CG1-ND2 3.32Å; V145-N149 VanDerWaalsContact O-CB 3.28Å; V145-N149 WeakPolarHBondContact O-CB 3.49Å; V145-N149 VanDerWaalsContact O-CG 3.25Å; V145-N149 PolarHBondContact O-N 3.41Å; V145-N149 PolarHBondContact O-ND2 3.46Å
146L89.8Confident92.4Very high80 Ų8069.1 Ų69.142%0.41934%0.34SS..Hα-helixtrans-63.2-42.7178.2-71.4173.1000112.1N142 E143 E150N142-L146 WeakPolarHBondContact O-CB 3.25Å; N142-L146 VanDerWaalsContact O-CG 3.24Å; N142-L146 WeakPolarHBondContact O-CG 3.3Å; N142-L146 PolarHBondContact O-N 3.12Å; E143-L146 PolarHBondContact O-N 2.86Å; L146-E150 PolarHBondContact O-N 2.85Å
147K92.1Very high92.4Very high115 Ų11571.5 Ų71.550%0.534%0.343SS..Hα-helixtrans-63.5-46.5174.9-75.2175.5-176.4168.50111.5E143 S144 V145 N149 E150 E151E143-K147 HydrophobicContact CG-CD 4.35Å; E143-K147 WeakPolarHBondContact O-CB 3.42Å; E143-K147 WeakPolarHBondContact O-CG 3.42Å; E143-K147 PolarHBondContact O-N 3.07Å; E143-K147 WeakPolarHBondContact OE1-CE 3.1Å; E143-K147 IonicContact OE1-NZ 2.65Å; E143-K147 PolarHBondContact OE1-NZ 2.82Å; S144-K147 PolarHBondContact O-N 3.26Å; V145-K147 PolarHBondContact O-N 3.23Å; K147-N149 VanDerWaalsContact C-N 3.35Å; K147-N149 PolarHBondContact O-N 2.82Å; K147-E150 PolarHBondContact O-N 2.87Å; K147-E151 WeakPolarHBondContact O-CG 3.48Å; K147-E151 PolarHBondContact O-N 3.25Å
148E91.1Very high92.5Very high56 Ų5677.7 Ų77.726%0.26236%0.362SS..Hα-helixtrans-61.7-44.2178.5-169.3-172.4166.100111.5K11 S144 V145 E150 E151 I152K11-E148 VanDerWaalsContact CE-CD 3.43Å; K11-E148 WeakPolarHBondContact CE-OE1 3.35Å; K11-E148 WeakPolarHBondContact CE-OE2 3.28Å; K11-E148 IonicContact NZ-OE1 2.85Å; K11-E148 PolarHBondContact NZ-OE1 3.2Å; K11-E148 IonicContact NZ-OE2 2.65Å; K11-E148 PolarHBondContact NZ-OE2 3.24Å; S144-E148 WeakPolarHBondContact O-CB 3.26Å; S144-E148 PolarHBondContact O-N 3.03Å; V145-E148 PolarHBondContact O-N 2.9Å; E148-E150 VanDerWaalsContact C-N 3.31Å; E148-E150 PolarHBondContact O-N 3.26Å; E148-E151 PolarHBondContact O-N 2.79Å; E148-I152 HydrophobicContact CG-CD1 4.03Å; E148-I152 VanDerWaalsContact O-CG1 3.26Å; E148-I152 WeakPolarHBondContact O-CG1 3.27Å; E148-I152 PolarHBondContact O-N 2.78Å
149N89Confident92.5Very high37 Ų3782.7 Ų82.720%0.19839%0.388CS..Hα-helixtrans-63.4-37.2177.5-76.3-28000112D19 V145 K147 R153D19-N149 PolarHBondContact OD1-ND2 3.02Å; V145-N149 WeakPolarHBondContact CG1-ND2 3.32Å; V145-N149 VanDerWaalsContact O-CB 3.28Å; V145-N149 WeakPolarHBondContact O-CB 3.49Å; V145-N149 VanDerWaalsContact O-CG 3.25Å; V145-N149 PolarHBondContact O-N 3.41Å; V145-N149 PolarHBondContact O-ND2 3.46Å; K147-N149 VanDerWaalsContact C-N 3.35Å; K147-N149 PolarHBondContact O-N 2.82Å; N149-R153 WeakPolarHBondContact O-CG 3.12Å; N149-R153 PolarHBondContact O-N 3.31Å
150E91.2Very high92.6Very high88 Ų8883.4 Ų83.441%0.41139%0.394SS..Hα-helixtrans-66.5-43.7172.6-175.660.5-168.200112.1L146 K147 E148 I152 R153 M154L146-E150 PolarHBondContact O-N 2.85Å; K147-E150 PolarHBondContact O-N 2.87Å; E148-E150 VanDerWaalsContact C-N 3.31Å; E148-E150 PolarHBondContact O-N 3.26Å; E150-I152 VanDerWaalsContact C-N 3.33Å; E150-I152 PolarHBondContact O-N 3.34Å; E150-R153 WeakPolarHBondContact O-CB 3.22Å; E150-R153 PolarHBondContact O-N 3.47Å; E150-R153 IonicContact OE2-CZ 3.8Å; E150-R153 IonicContact OE2-NE 2.94Å; E150-R153 PolarHBondContact OE2-NE 3.25Å; E150-R153 IonicContact OE2-NH2 2.7Å; E150-R153 PolarHBondContact OE2-NH2 3.29Å; E150-M154 WeakPolarHBondContact O-CB 3.44Å; E150-M154 VanDerWaalsContact O-CG 3.31Å; E150-M154 WeakPolarHBondContact O-CG 3.44Å; E150-M154 PolarHBondContact O-N 2.75Å
151E93Very high92.7Very high100 Ų10084.2 Ų84.247%0.46739%0.392SS..Hα-helixtrans-61.8-40.7175.5-72.8-176.6-164.800112.3K147 E148 M154 R155K147-E151 WeakPolarHBondContact O-CG 3.48Å; K147-E151 PolarHBondContact O-N 3.25Å; E148-E151 PolarHBondContact O-N 2.79Å; E151-M154 PolarHBondContact O-N 3.18Å; E151-R155 WeakPolarHBondContact O-CB 3.48Å; E151-R155 VanDerWaalsContact O-CG 3.23Å; E151-R155 WeakPolarHBondContact O-CG 3.33Å; E151-R155 PolarHBondContact O-N 3.17Å; E151-R155 IonicContact OE2-CZ 3.68Å; E151-R155 IonicContact OE2-NH2 3.15Å; E151-R155 PolarHBondContact OE2-NH2 3.2Å
152I90.9Very high92.8Very high77 Ų7786.3 Ų86.340%0.39541%0.409SS..Hα-helixtrans-61.1-46.7175-70165.9000110.1E148 E150 M154 R155 H156E148-I152 HydrophobicContact CG-CD1 4.03Å; E148-I152 VanDerWaalsContact O-CG1 3.26Å; E148-I152 WeakPolarHBondContact O-CG1 3.27Å; E148-I152 PolarHBondContact O-N 2.78Å; E150-I152 VanDerWaalsContact C-N 3.33Å; E150-I152 PolarHBondContact O-N 3.34Å; I152-M154 PolarHBondContact O-N 3.35Å; I152-R155 PolarHBondContact O-N 3.42Å; I152-H156 WeakPolarHBondContact O-CB 3.41Å; I152-H156 PolarHBondContact O-N 3.04Å
153R92Very high92.9Very high135 Ų13590.1 Ų90.151%0.50943%0.426SS..Hα-helixtrans-57.8-46.9175.6-75.8-173.7-66.4-95.36.4111.7N149 E150 H156 Q157N149-R153 WeakPolarHBondContact O-CG 3.12Å; N149-R153 PolarHBondContact O-N 3.31Å; E150-R153 WeakPolarHBondContact O-CB 3.22Å; E150-R153 PolarHBondContact O-N 3.47Å; E150-R153 IonicContact OE2-CZ 3.8Å; E150-R153 IonicContact OE2-NE 2.94Å; E150-R153 PolarHBondContact OE2-NE 3.25Å; E150-R153 IonicContact OE2-NH2 2.7Å; E150-R153 PolarHBondContact OE2-NH2 3.29Å; R153-H156 PolarHBondContact O-N 3.41Å; R153-Q157 WeakPolarHBondContact O-CB 3.31Å; R153-Q157 PolarHBondContact O-N 3.29Å
154M93.6Very high93Very high71 Ų7188.1 Ų88.135%0.3543%0.427SS..Hα-helixtrans-66.7-40.8-179.8-70.8-61-69.600112.8E150 E151 I152 Q157 R158E150-M154 WeakPolarHBondContact O-CB 3.44Å; E150-M154 VanDerWaalsContact O-CG 3.31Å; E150-M154 WeakPolarHBondContact O-CG 3.44Å; E150-M154 PolarHBondContact O-N 2.75Å; E151-M154 PolarHBondContact O-N 3.18Å; I152-M154 PolarHBondContact O-N 3.35Å; M154-Q157 PolarHBondContact O-N 2.97Å; M154-R158 WeakPolarHBondContact O-CG 3.23Å; M154-R158 PolarHBondContact O-N 3.09Å
155R94.5Very high93.2Very high133 Ų13388.4 Ų88.450%0.50243%0.432SS..Hα-helixtrans-64-43.9175.4-72.7176.5-149.6159.64.9111E151 I152 Q157 R158 L159E151-R155 WeakPolarHBondContact O-CB 3.48Å; E151-R155 VanDerWaalsContact O-CG 3.23Å; E151-R155 WeakPolarHBondContact O-CG 3.33Å; E151-R155 PolarHBondContact O-N 3.17Å; E151-R155 IonicContact OE2-CZ 3.68Å; E151-R155 IonicContact OE2-NH2 3.15Å; E151-R155 PolarHBondContact OE2-NH2 3.2Å; I152-R155 PolarHBondContact O-N 3.42Å; R155-Q157 PolarHBondContact O-N 3.49Å; R155-R158 PolarHBondContact O-N 2.81Å; R155-L159 WeakPolarHBondContact O-CG 3.49Å; R155-L159 PolarHBondContact O-N 3.07Å
156H93.3Very high93.3Very high114 Ų11496.9 Ų96.953%0.52847%0.465SS..Hα-helixtrans-61-45.2176.9-174.260.9000111.5I152 R153 R158 L159 L160I152-H156 WeakPolarHBondContact O-CB 3.41Å; I152-H156 PolarHBondContact O-N 3.04Å; R153-H156 PolarHBondContact O-N 3.41Å; H156-R158 PolarHBondContact O-N 3.34Å; H156-L159 PolarHBondContact O-N 3.39Å; H156-L160 WeakPolarHBondContact O-CG 3.32Å; H156-L160 PolarHBondContact O-N 3.5Å
157Q94.6Very high93.6Very high97 Ų97101 Ų10145%0.45348%0.475SS..Hα-helixtrans-61.6-41.8176.7-17017936.900112.5R153 M154 R155 L159 L160 Q161R153-Q157 WeakPolarHBondContact O-CB 3.31Å; R153-Q157 PolarHBondContact O-N 3.29Å; M154-Q157 PolarHBondContact O-N 2.97Å; R155-Q157 PolarHBondContact O-N 3.49Å; Q157-L159 VanDerWaalsContact C-N 3.35Å; Q157-L159 PolarHBondContact O-N 3.46Å; Q157-L160 PolarHBondContact O-N 2.92Å; Q157-Q161 WeakPolarHBondContact O-CG 3.48Å; Q157-Q161 PolarHBondContact O-N 3.48Å
158R95.2Very high93.7Very high167 Ų167101.2 Ų101.263%0.6348%0.48SS*.Hα-helixtrans-63-39.5176.1-75.8176.2178.8169.62.2112.5M154 R155 H156 Q161 A162M154-R158 WeakPolarHBondContact O-CG 3.23Å; M154-R158 PolarHBondContact O-N 3.09Å; R155-R158 PolarHBondContact O-N 2.81Å; H156-R158 PolarHBondContact O-N 3.34Å; R158-Q161 PolarHBondContact O-N 3Å; R158-A162 WeakPolarHBondContact O-CB 3.39Å; R158-A162 PolarHBondContact O-N 3.49Å
159L95.3Very high93.8Very high107 Ų107100.7 Ų100.756%0.5649%0.486SS*.Hα-helixtrans-64.2-47.5176.1-72.5170.7000111.1R155 H156 Q157 Q161 A162 E163R155-L159 WeakPolarHBondContact O-CG 3.49Å; R155-L159 PolarHBondContact O-N 3.07Å; H156-L159 PolarHBondContact O-N 3.39Å; Q157-L159 VanDerWaalsContact C-N 3.35Å; Q157-L159 PolarHBondContact O-N 3.46Å; L159-Q161 VanDerWaalsContact C-N 3.31Å; L159-Q161 PolarHBondContact O-N 2.85Å; L159-A162 PolarHBondContact O-N 3.44Å; L159-E163 WeakPolarHBondContact O-CG 3.39Å; L159-E163 PolarHBondContact O-N 3.36Å
160L94.9Very high94Very high91 Ų91104.4 Ų104.448%0.47650%0.502SS..Hα-helixtrans-58.5-41.8176.5-69174.9000112.2H156 Q157 A164H156-L160 WeakPolarHBondContact O-CG 3.32Å; H156-L160 PolarHBondContact O-N 3.5Å; Q157-L160 PolarHBondContact O-N 2.92Å; L160-A164 WeakPolarHBondContact O-CB 3.49Å; L160-A164 PolarHBondContact O-N 3.45Å
161Q95Very high94.1Very high117 Ų117105.8 Ų105.855%0.54751%0.508SS..Hα-helixtrans-66.7-41.7176.1-72.9177.53.500112.5Q157 R158 L159 A164 A165Q157-Q161 WeakPolarHBondContact O-CG 3.48Å; Q157-Q161 PolarHBondContact O-N 3.48Å; R158-Q161 PolarHBondContact O-N 3Å; L159-Q161 VanDerWaalsContact C-N 3.31Å; L159-Q161 PolarHBondContact O-N 2.85Å; Q161-A164 PolarHBondContact O-N 3.38Å; Q161-A165 WeakPolarHBondContact O-CB 3.33Å; Q161-A165 PolarHBondContact O-N 2.99Å
162A95.1Very high94Very high48 Ų48105.5 Ų105.540%0.39751%0.507SS..Hα-helixtrans-64.9-39.2177.700000112R158 L159 A165 R166R158-A162 WeakPolarHBondContact O-CB 3.39Å; R158-A162 PolarHBondContact O-N 3.49Å; L159-A162 PolarHBondContact O-N 3.44Å; A162-A165 PolarHBondContact O-N 3.23Å; A162-R166 WeakPolarHBondContact O-CB 3.38Å; A162-R166 WeakPolarHBondContact O-CG 3.43Å; A162-R166 PolarHBondContact O-N 2.65Å
163E94.9Very high94.1Very high101 Ų101110 Ų11047%0.47252%0.519SS..Hα-helixtrans-65.1-44.8174.1-73.6179.9-168.800111.9L159 A165 R166 R167L159-E163 WeakPolarHBondContact O-CG 3.39Å; L159-E163 PolarHBondContact O-N 3.36Å; E163-A165 PolarHBondContact O-N 3.42Å; E163-R166 PolarHBondContact O-N 2.85Å; E163-R167 WeakPolarHBondContact O-CG 3.35Å; E163-R167 PolarHBondContact O-N 2.94Å
164A95.1Very high94.1Very high61 Ų61108.3 Ų108.350%0.50452%0.517SS..Hα-helixtrans-60.8-43.3175.500000112L160 Q161 R167 L168L160-A164 WeakPolarHBondContact O-CB 3.49Å; L160-A164 PolarHBondContact O-N 3.45Å; Q161-A164 PolarHBondContact O-N 3.38Å; A164-R167 PolarHBondContact O-N 2.9Å; A164-L168 PolarHBondContact O-N 3.03Å
165A95.1Very high93.9Very high60 Ų60108.9 Ų108.950%0.49652%0.521SS..Hα-helixtrans-64.7-39.5176.900000112.5Q161 A162 E163 L168 A169Q161-A165 WeakPolarHBondContact O-CB 3.33Å; Q161-A165 PolarHBondContact O-N 2.99Å; A162-A165 PolarHBondContact O-N 3.23Å; E163-A165 PolarHBondContact O-N 3.42Å; A165-L168 PolarHBondContact O-N 3.23Å; A165-A169 WeakPolarHBondContact O-CB 3.4Å; A165-A169 PolarHBondContact O-N 2.71Å
166R94.5Very high93.5Very high180 Ų180106.6 Ų106.668%0.67951%0.513SS*.Hα-helixtrans-64-44.6174.4-77.5179.9176-168.6-0.2111.8A162 E163 L168 A169 E170A162-R166 WeakPolarHBondContact O-CB 3.38Å; A162-R166 WeakPolarHBondContact O-CG 3.43Å; A162-R166 PolarHBondContact O-N 2.65Å; E163-R166 PolarHBondContact O-N 2.85Å; R166-L168 PolarHBondContact O-N 3.41Å; R166-A169 PolarHBondContact O-N 2.99Å; R166-E170 WeakPolarHBondContact O-CB 3.43Å; R166-E170 WeakPolarHBondContact O-CG 3.37Å; R166-E170 PolarHBondContact O-N 3.01Å
167R94.3Very high93.3Very high167 Ų167106.7 Ų106.763%0.6351%0.514SS*.Hα-helixtrans-60.4-44.5176.6-74.8-177-178.2168.34.4112.1E163 A164 E170 Q171E163-R167 WeakPolarHBondContact O-CG 3.35Å; E163-R167 PolarHBondContact O-N 2.94Å; A164-R167 PolarHBondContact O-N 2.9Å; R167-E170 PolarHBondContact O-N 3.49Å; R167-Q171 WeakPolarHBondContact O-CB 3.34Å; R167-Q171 WeakPolarHBondContact O-CG 3.48Å; R167-Q171 PolarHBondContact O-N 2.92Å
168L95.1Very high93Very high118 Ų118108.2 Ų108.262%0.61852%0.519SS*.Hα-helixtrans-62.5-43.6176.5-176.664.4000111.5A164 A165 R166 E170 Q171 E172A164-L168 PolarHBondContact O-N 3.03Å; A165-L168 PolarHBondContact O-N 3.23Å; R166-L168 PolarHBondContact O-N 3.41Å; L168-E170 PolarHBondContact O-N 3.24Å; L168-Q171 PolarHBondContact O-N 2.61Å; L168-E172 WeakPolarHBondContact O-CB 3.43Å; L168-E172 PolarHBondContact O-N 3.3Å
169A94.1Very high92.4Very high46 Ų46105.2 Ų105.238%0.3851%0.512SS..Hα-helixtrans-66.2-36.1177.800000112.7A165 R166 R173A165-A169 WeakPolarHBondContact O-CB 3.4Å; A165-A169 PolarHBondContact O-N 2.71Å; R166-A169 PolarHBondContact O-N 2.99Å; A169-R173 WeakPolarHBondContact O-CB 3.5Å; A169-R173 VanDerWaalsContact O-CG 3.26Å; A169-R173 WeakPolarHBondContact O-CG 3.44Å; A169-R173 PolarHBondContact O-N 3.08Å
170E93.3Very high91.8Very high115 Ų115107 Ų10754%0.53752%0.515SS..Hα-helixtrans-69-43.7175.2-78173.7-171.400112R166 R167 L168 R173 Q174R166-E170 WeakPolarHBondContact O-CB 3.43Å; R166-E170 WeakPolarHBondContact O-CG 3.37Å; R166-E170 PolarHBondContact O-N 3.01Å; R167-E170 PolarHBondContact O-N 3.49Å; L168-E170 PolarHBondContact O-N 3.24Å; E170-R173 PolarHBondContact O-N 3.43Å; E170-Q174 WeakPolarHBondContact O-CG 3.49Å; E170-Q174 PolarHBondContact O-N 3.03Å
171Q93Very high91.3Very high116 Ų116108.1 Ų108.154%0.54252%0.52SS..Hα-helixtrans-58.3-47.9173-74.9177.8-8.700111R167 L168 R173 Q174 D175R167-Q171 WeakPolarHBondContact O-CB 3.34Å; R167-Q171 WeakPolarHBondContact O-CG 3.48Å; R167-Q171 PolarHBondContact O-N 2.92Å; L168-Q171 PolarHBondContact O-N 2.61Å; Q171-R173 VanDerWaalsContact C-N 3.29Å; Q171-R173 PolarHBondContact O-N 2.99Å; Q171-Q174 PolarHBondContact O-N 3.39Å; Q171-Q174 VanDerWaalsContact O-N 3.14Å; Q171-D175 WeakPolarHBondContact O-CB 3.33Å; Q171-D175 VanDerWaalsContact O-CG 3.32Å; Q171-D175 PolarHBondContact O-N 3.46Å
172E91.3Very high90.7Very high95 Ų95109.6 Ų109.644%0.44453%0.525SS..Hα-helixtrans-61.5-37.1177.5-165.5-170-17800112.1L168 R176L168-E172 WeakPolarHBondContact O-CB 3.43Å; L168-E172 PolarHBondContact O-N 3.3Å; E172-R176 WeakPolarHBondContact O-CB 3.38Å; E172-R176 WeakPolarHBondContact O-CG 3.41Å; E172-R176 PolarHBondContact O-N 3.49Å; E172-R176 IonicContact OE1-CZ 2.78Å; E172-R176 VanDerWaalsContact OE1-CZ 3.24Å; E172-R176 IonicContact OE1-NE 3.4Å; E172-R176 PolarHBondContact OE1-NE 2.97Å; E172-R176 IonicContact OE1-NH2 3.23Å; E172-R176 PolarHBondContact OE1-NH2 3.3Å; E172-R176 IonicContact OE2-NH2 3.78Å
173R91.5Very high89.7Confident170 Ų170109.6 Ų109.664%0.64252%0.518SS*.Hα-helixtrans-67.6-41.7174.6-75.1179.583.51505.3112.1A169 E170 Q171 R176 Q177A169-R173 WeakPolarHBondContact O-CB 3.5Å; A169-R173 VanDerWaalsContact O-CG 3.26Å; A169-R173 WeakPolarHBondContact O-CG 3.44Å; A169-R173 PolarHBondContact O-N 3.08Å; E170-R173 PolarHBondContact O-N 3.43Å; Q171-R173 VanDerWaalsContact C-N 3.29Å; Q171-R173 PolarHBondContact O-N 2.99Å; R173-R176 PolarHBondContact O-N 3.39Å; R173-Q177 WeakPolarHBondContact O-CG 3.45Å; R173-Q177 PolarHBondContact O-N 2.97Å
174Q92.3Very high88.7Confident101 Ų101110.1 Ų110.147%0.47252%0.523SS..Hα-helixtrans-64.6-42.9176.4-73.1-178.66.800111.1E170 Q171 R176 Q177 K178E170-Q174 WeakPolarHBondContact O-CG 3.49Å; E170-Q174 PolarHBondContact O-N 3.03Å; Q171-Q174 PolarHBondContact O-N 3.39Å; Q171-Q174 VanDerWaalsContact O-N 3.14Å; Q174-R176 PolarHBondContact O-N 2.91Å; Q174-Q177 PolarHBondContact O-N 2.91Å; Q174-Q177 VanDerWaalsContact O-N 3.16Å; Q174-K178 WeakPolarHBondContact O-CG 3.26Å; Q174-K178 PolarHBondContact O-N 3.42Å
175D90.1Very high87.8Confident82 Ų82109.7 Ų109.744%0.43952%0.52SS..Hα-helixtrans-64.2-41.7177.2-69.4-20.1000111.2Q171 Q177 K178 Q179Q171-D175 WeakPolarHBondContact O-CB 3.33Å; Q171-D175 VanDerWaalsContact O-CG 3.32Å; Q171-D175 PolarHBondContact O-N 3.46Å; D175-Q177 VanDerWaalsContact C-N 3.34Å; D175-Q177 PolarHBondContact O-N 3.01Å; D175-K178 PolarHBondContact O-N 3.5Å; D175-Q179 WeakPolarHBondContact O-CB 3.18Å; D175-Q179 VanDerWaalsContact O-CG 3.26Å; D175-Q179 WeakPolarHBondContact O-CG 3.36Å; D175-Q179 PolarHBondContact O-N 3.38Å
176R86.4Confident86.5Confident86 Ų86112.1 Ų112.133%0.32552%0.522SS..Hα-helixtrans-61.8-38.4171.9-74.3171.5-179.7-178.93112.5E172 R173 Q174 K180E172-R176 WeakPolarHBondContact O-CB 3.38Å; E172-R176 WeakPolarHBondContact O-CG 3.41Å; E172-R176 PolarHBondContact O-N 3.49Å; E172-R176 IonicContact OE1-CZ 2.78Å; E172-R176 VanDerWaalsContact OE1-CZ 3.24Å; E172-R176 IonicContact OE1-NE 3.4Å; E172-R176 PolarHBondContact OE1-NE 2.97Å; E172-R176 IonicContact OE1-NH2 3.23Å; E172-R176 PolarHBondContact OE1-NH2 3.3Å; E172-R176 IonicContact OE2-NH2 3.78Å; R173-R176 PolarHBondContact O-N 3.39Å; Q174-R176 PolarHBondContact O-N 2.91Å; R176-K180 WeakPolarHBondContact O-CG 3.37Å; R176-K180 PolarHBondContact O-N 3.36Å; R176-K180 VanDerWaalsContact O-N 3.1Å
177Q88.9Confident85Confident116 Ų116104.9 Ų104.954%0.54250%0.498SS..Hα-helixtrans-69.9-44176.9-77.3176.9-8.200111.9R173 Q174 D175 Q179 K180 I181R173-Q177 WeakPolarHBondContact O-CG 3.45Å; R173-Q177 PolarHBondContact O-N 2.97Å; Q174-Q177 PolarHBondContact O-N 2.91Å; Q174-Q177 VanDerWaalsContact O-N 3.16Å; D175-Q177 VanDerWaalsContact C-N 3.34Å; D175-Q177 PolarHBondContact O-N 3.01Å; Q177-Q179 VanDerWaalsContact C-N 3.32Å; Q177-Q179 PolarHBondContact O-N 3.18Å; Q177-K180 PolarHBondContact O-N 3.01Å; Q177-K180 VanDerWaalsContact O-N 3.16Å; Q177-I181 WeakPolarHBondContact O-CG1 3.46Å; Q177-I181 PolarHBondContact O-N 3.35Å
178K88.5Confident83.5Confident129 Ų129103.9 Ų103.956%0.56150%0.5SS*.Hα-helixtrans-60-42174.8-72.2173.4-176171.20111.5Q174 D175 I181 K182Q174-K178 WeakPolarHBondContact O-CG 3.26Å; Q174-K178 PolarHBondContact O-N 3.42Å; D175-K178 PolarHBondContact O-N 3.5Å; K178-I181 PolarHBondContact O-N 3.26Å; K178-K182 VanDerWaalsContact O-CB 3.29Å; K178-K182 WeakPolarHBondContact O-CB 3.34Å; K178-K182 PolarHBondContact O-N 3.5Å
179Q82.7Confident81.8Confident103 Ų103104.9 Ų104.948%0.48151%0.506SS..Hα-helixtrans-61-43.1174.1-74.5174.33.500111.9D175 Q177 K182 L183D175-Q179 WeakPolarHBondContact O-CB 3.18Å; D175-Q179 VanDerWaalsContact O-CG 3.26Å; D175-Q179 WeakPolarHBondContact O-CG 3.36Å; D175-Q179 PolarHBondContact O-N 3.38Å; Q177-Q179 VanDerWaalsContact C-N 3.32Å; Q177-Q179 PolarHBondContact O-N 3.18Å; Q179-K182 PolarHBondContact O-N 2.86Å; Q179-L183 PolarHBondContact O-N 3.01Å
180K82Confident80Confident146 Ų146105.7 Ų105.764%0.63551%0.509SS*.Hα-helixtrans-65.3-44.3175.8-75.7-178.6174.8-165.40113.3R176 Q177 K182 L183 L184R176-K180 WeakPolarHBondContact O-CG 3.37Å; R176-K180 PolarHBondContact O-N 3.36Å; R176-K180 VanDerWaalsContact O-N 3.1Å; Q177-K180 PolarHBondContact O-N 3.01Å; Q177-K180 VanDerWaalsContact O-N 3.16Å; K180-K182 VanDerWaalsContact C-N 3.35Å; K180-L183 PolarHBondContact O-N 3.48Å; K180-L184 WeakPolarHBondContact O-CG 3.49Å; K180-L184 PolarHBondContact O-N 3.49Å
181I83.5Confident78.3Confident113 Ų113108.9 Ų108.958%0.57952%0.524SS*.Hα-helixtrans-65.3-41.2177.9-66.9168.2000110.2Q177 K178 L183 L184 A185Q177-I181 WeakPolarHBondContact O-CG1 3.46Å; Q177-I181 PolarHBondContact O-N 3.35Å; K178-I181 PolarHBondContact O-N 3.26Å; I181-L183 VanDerWaalsContact C-N 3.32Å; I181-L183 PolarHBondContact O-N 3.47Å; I181-L184 CarbonylContact O-C 3Å; I181-L184 PolarHBondContact O-N 3.36Å; I181-A185 WeakPolarHBondContact O-CB 3.47Å; I181-A185 PolarHBondContact O-N 3Å
182K82.4Confident77Confident149 Ų149112.9 Ų112.965%0.64854%0.543SS*.Hα-helixtrans-59.1-44.4174.7-174.6179.3179.6-176.20111.5K178 Q179 K180 L184 A185 M186K178-K182 VanDerWaalsContact O-CB 3.29Å; K178-K182 WeakPolarHBondContact O-CB 3.34Å; K178-K182 PolarHBondContact O-N 3.5Å; Q179-K182 PolarHBondContact O-N 2.86Å; K180-K182 VanDerWaalsContact C-N 3.35Å; K182-L184 VanDerWaalsContact C-N 3.34Å; K182-L184 PolarHBondContact O-N 2.95Å; K182-A185 PolarHBondContact O-N 3.32Å; K182-M186 WeakPolarHBondContact O-CG 3.5Å; K182-M186 PolarHBondContact O-N 2.92Å; K182-M186 VanDerWaalsContact O-N 3.15Å
183L74.6Confident75.9Confident47 Ų47109.2 Ų109.225%0.24653%0.53CS..Hα-helixtrans-61.7-41.5176-171.569.6000111.7Q179 K180 I181 T187 A201 A207Q179-L183 PolarHBondContact O-N 3.01Å; K180-L183 PolarHBondContact O-N 3.48Å; I181-L183 VanDerWaalsContact C-N 3.32Å; I181-L183 PolarHBondContact O-N 3.47Å; L183-T187 WeakPolarHBondContact O-CG2 3.35Å; L183-A201 HydrophobicContact CD1-CB 3.61Å; L183-A207 HydrophobicContact CD2-CB 4.41Å
184L74.5Confident74.9Confident113 Ų113103.3 Ų103.359%0.59251%0.513SS*.Hα-helixtrans-69.5-36.4175.4-75.1161.7000113K180 I181 K182 M186 T187K180-L184 WeakPolarHBondContact O-CG 3.49Å; K180-L184 PolarHBondContact O-N 3.49Å; I181-L184 CarbonylContact O-C 3Å; I181-L184 PolarHBondContact O-N 3.36Å; K182-L184 VanDerWaalsContact C-N 3.34Å; K182-L184 PolarHBondContact O-N 2.95Å; L184-M186 VanDerWaalsContact C-N 3.31Å; L184-M186 PolarHBondContact O-N 2.93Å; L184-T187 WeakPolarHBondContact O-CB 3.37Å; L184-T187 PolarHBondContact O-N 2.6Å; L184-T187 PolarHBondContact O-OG1 2.87Å
185A77Confident74Confident52 Ų52104.7 Ų104.743%0.4352%0.521SS..Hα-helixtrans-64-40.1177.400000111.1I181 K182 T187 H188I181-A185 WeakPolarHBondContact O-CB 3.47Å; I181-A185 PolarHBondContact O-N 3Å; K182-A185 PolarHBondContact O-N 3.32Å; A185-T187 PolarHBondContact O-N 3.45Å; A185-H188 PolarHBondContact O-N 3.14Å
186M65.9Low73.6Confident111 Ų111105.7 Ų105.755%0.54753%0.526SS..THydrogen-bonded Turntrans-60.3-18.3172.6-65.2174.58500112.8K182 L184K182-M186 WeakPolarHBondContact O-CG 3.5Å; K182-M186 PolarHBondContact O-N 2.92Å; K182-M186 VanDerWaalsContact O-N 3.15Å; L184-M186 VanDerWaalsContact C-N 3.31Å; L184-M186 PolarHBondContact O-N 2.93Å
187T64.6Low73.3Confident27 Ų27103.8 Ų103.817%0.16653%0.526CS..THydrogen-bonded Turntrans-82.8-16.6175.267.50000114.8L183 L184 A185 V194 L198L183-T187 WeakPolarHBondContact O-CG2 3.35Å; L184-T187 WeakPolarHBondContact O-CB 3.37Å; L184-T187 PolarHBondContact O-N 2.6Å; L184-T187 PolarHBondContact O-OG1 2.87Å; A185-T187 PolarHBondContact O-N 3.45Å; T187-V194 HydrophobicContact CG2-CG1 4.01Å; T187-V194 WeakPolarHBondContact O-CG2 3.39Å; T187-L198 HydrophobicContact CG2-CD1 4.14Å; T187-L198 HydrophobicContact CG2-CD2 3.59Å; T187-L198 HydrophobicContact CG2-CG 3.8Å
188H61.3Low72.7Confident146 Ų146101.5 Ų101.568%0.67652%0.517SS*.THydrogen-bonded Turntrans-99.9-17.3-172-150-65.2000113.9A185 S190A185-H188 PolarHBondContact O-N 3.14Å; H188-S190 VanDerWaalsContact C-N 3.32Å; H188-S190 PolarHBondContact O-N 2.93Å
189D59.5Low72.3Confident140 Ų14099.8 Ų99.875%0.74951%0.513SS*.SBendtrans-87.34.6-176-65.6-30.5000113.7
190S56Low72.2Confident63 Ų63100.7 Ų100.744%0.44152%0.518SS..  trans-148.286.8178.9-76.30000111.5H188 E192 G193 V194H188-S190 VanDerWaalsContact C-N 3.32Å; H188-S190 PolarHBondContact O-N 2.93Å; S190-E192 PolarHBondContact O-N 3.44Å; S190-G193 PolarHBondContact O-N 3.21Å; S190-V194 WeakPolarHBondContact O-CG2 3.36Å; S190-V194 PolarHBondContact O-N 2.98Å
191E59.4Low72.2Confident181 Ų18194.2 Ų94.285%0.84649%0.491SS*.THydrogen-bonded Turntrans-56-17.2177.8-64.9-171.3163.900113.6
192E64.5Low72.1Confident201 Ų20193 Ų9394%0.93949%0.486SS*.THydrogen-bonded Turntrans-109.46.1177.3-66.3-176.4158.300114.9S190S190-E192 PolarHBondContact O-N 3.44Å
193G68.8Low71.9Confident17 Ų1790.5 Ų90.518%0.17549%0.487CS..THydrogen-bonded Turntrans-138.47.6-175.100000115.6S190 M195 D196 S197S190-G193 PolarHBondContact O-N 3.21Å; G193-M195 PolarHBondContact O-N 3.44Å; G193-D196 PolarHBondContact O-N 2.85Å; G193-S197 WeakPolarHBondContact O-CB 3.36Å; G193-S197 PolarHBondContact O-N 2.86Å; G193-S197 PolarHBondContact O-OG 3.31Å
194V69.5Low72.2Confident46 Ų4692.1 Ų92.128%0.27950%0.499SS..Hα-helixtrans-58.8-47.1-176.2-175.80000112.1T187 S190 S197 L198T187-V194 HydrophobicContact CG2-CG1 4.01Å; T187-V194 WeakPolarHBondContact O-CG2 3.39Å; S190-V194 WeakPolarHBondContact O-CG2 3.36Å; S190-V194 PolarHBondContact O-N 2.98Å; V194-S197 PolarHBondContact O-N 2.96Å; V194-L198 HydrophobicContact CG1-CD1 4.07Å; V194-L198 WeakPolarHBondContact O-CB 3.3Å; V194-L198 WeakPolarHBondContact O-CG 3.41Å; V194-L198 PolarHBondContact O-N 2.84Å
195M74.9Confident72.4Confident130 Ų13088.5 Ų88.564%0.6449%0.489SS*.Hα-helixtrans-65.7-43.1-177.4-174.8178.368.500111.1G193 L198 L199G193-M195 PolarHBondContact O-N 3.44Å; M195-L198 PolarHBondContact O-N 2.94Å; M195-L199 HydrophobicContact CG-CD1 3.84Å; M195-L199 HydrophobicContact CG-CG 4.3Å; M195-L199 WeakPolarHBondContact O-CB 3.46Å; M195-L199 VanDerWaalsContact O-CG 3.23Å; M195-L199 WeakPolarHBondContact O-CG 3.26Å; M195-L199 PolarHBondContact O-N 3.44Å
196D81Confident72.3Confident104 Ų10492.9 Ų92.956%0.55650%0.501SS*.Hα-helixtrans-66.7-39.9179.7-69.1-11.5000111.2G193 L198 L199 E200G193-D196 PolarHBondContact O-N 2.85Å; D196-L198 PolarHBondContact O-N 3.31Å; D196-L199 PolarHBondContact O-N 3.4Å; D196-E200 VanDerWaalsContact O-CB 3.28Å; D196-E200 WeakPolarHBondContact O-CB 3.43Å; D196-E200 PolarHBondContact O-N 2.83Å
197S79.4Confident72.4Confident46 Ų4688.8 Ų88.832%0.32248%0.484SS..Hα-helixtrans-64.3-39.1174.8-58.10000112.3G193 V194 A201G193-S197 WeakPolarHBondContact O-CB 3.36Å; G193-S197 PolarHBondContact O-N 2.86Å; G193-S197 PolarHBondContact O-OG 3.31Å; V194-S197 PolarHBondContact O-N 2.96Å; S197-A201 WeakPolarHBondContact O-CB 3.49Å; S197-A201 PolarHBondContact O-N 3.44Å
198L76.9Confident72.7Confident68 Ų6894.4 Ų94.436%0.35651%0.506SS..Hα-helixtrans-69.3-41.4174.7-74.5174.6000112.2T187 V194 M195 D196 E200 A201 L202T187-L198 HydrophobicContact CG2-CD1 4.14Å; T187-L198 HydrophobicContact CG2-CD2 3.59Å; T187-L198 HydrophobicContact CG2-CG 3.8Å; V194-L198 HydrophobicContact CG1-CD1 4.07Å; V194-L198 WeakPolarHBondContact O-CB 3.3Å; V194-L198 WeakPolarHBondContact O-CG 3.41Å; V194-L198 PolarHBondContact O-N 2.84Å; M195-L198 PolarHBondContact O-N 2.94Å; D196-L198 PolarHBondContact O-N 3.31Å; L198-E200 VanDerWaalsContact C-N 3.33Å; L198-A201 PolarHBondContact O-N 3.16Å; L198-L202 WeakPolarHBondContact O-CB 3.29Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.22Å; L198-L202 PolarHBondContact O-N 2.81Å
199L80.2Confident72.7Confident92 Ų9290.9 Ų90.948%0.48250%0.497SS..Hα-helixtrans-66.8-36.6175.8-73.9172.3000111.2M195 D196 L202 S203M195-L199 HydrophobicContact CG-CD1 3.84Å; M195-L199 HydrophobicContact CG-CG 4.3Å; M195-L199 WeakPolarHBondContact O-CB 3.46Å; M195-L199 VanDerWaalsContact O-CG 3.23Å; M195-L199 WeakPolarHBondContact O-CG 3.26Å; M195-L199 PolarHBondContact O-N 3.44Å; D196-L199 PolarHBondContact O-N 3.4Å; L199-L202 PolarHBondContact O-N 3.28Å; L199-S203 WeakPolarHBondContact O-CB 3.23Å; L199-S203 PolarHBondContact O-N 2.87Å; L199-S203 PolarHBondContact O-OG 3.47Å
200E81.2Confident72.5Confident123 Ų12391.7 Ų91.758%0.57550%0.496SS*.Hα-helixtrans-63.6-47.7171.4-172.4175.7-177.200110.1D196 L198 L202 S203 T204D196-E200 VanDerWaalsContact O-CB 3.28Å; D196-E200 WeakPolarHBondContact O-CB 3.43Å; D196-E200 PolarHBondContact O-N 2.83Å; L198-E200 VanDerWaalsContact C-N 3.33Å; E200-L202 VanDerWaalsContact C-N 3.31Å; E200-L202 PolarHBondContact O-N 3.42Å; E200-S203 WeakPolarHBondContact CA-OG 3.33Å; E200-S203 PolarHBondContact O-N 3.35Å; E200-S203 PolarHBondContact O-OG 3.39Å; E200-T204 HydrophobicContact CG-CG2 3.9Å; E200-T204 VanDerWaalsContact O-CB 3.24Å; E200-T204 WeakPolarHBondContact O-CB 3.35Å; E200-T204 WeakPolarHBondContact O-CG2 3.28Å; E200-T204 PolarHBondContact O-N 3.36Å; E200-T204 PolarHBondContact O-OG1 3.21Å
201A81.1Confident72.2Confident9 Ų998 Ų987%0.07451%0.51CS..Hα-helixtrans-62.6-36.2176.800000112.9L183 S197 L198 T204 G205 Q206 A207L183-A201 HydrophobicContact CD1-CB 3.61Å; S197-A201 WeakPolarHBondContact O-CB 3.49Å; S197-A201 PolarHBondContact O-N 3.44Å; L198-A201 PolarHBondContact O-N 3.16Å; A201-T204 PolarHBondContact O-OG1 3.49Å; A201-G205 CarbonylContact O-C 3.56Å; A201-G205 PolarHBondContact O-N 3.49Å; A201-Q206 HydrophobicContact CB-CB 4.34Å; A201-Q206 PolarHBondContact O-N 3.19Å; A201-A207 HydrophobicContact CB-CB 4.18Å; A201-A207 WeakPolarHBondContact O-CB 3.45Å; A201-A207 PolarHBondContact O-N 2.92Å
202L81.2Confident71.4Confident89 Ų8997.6 Ų97.647%0.46651%0.506SS..Hα-helixtrans-71.5-41.2175.5-75.1166.5000112.2L198 L199 E200 A207 F208L198-L202 WeakPolarHBondContact O-CB 3.29Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.22Å; L198-L202 PolarHBondContact O-N 2.81Å; L199-L202 PolarHBondContact O-N 3.28Å; E200-L202 VanDerWaalsContact C-N 3.31Å; E200-L202 PolarHBondContact O-N 3.42Å; L202-A207 HydrophobicContact CD2-CB 3.59Å; L202-A207 HydrophobicContact CG-CB 3.91Å; L202-F208 HydrophobicContact CD2-CD2 4.35Å; L202-F208 HydrophobicContact CD2-CE2 3.48Å; L202-F208 VanDerWaalsContact CD2-CE2 3.48Å; L202-F208 HydrophobicContact CD2-CZ 3.92Å
203S79.5Confident70.4Confident96 Ų9696.6 Ų96.667%0.67150%0.498SS*.Hα-helixtrans-74.2-38.5-180600000112.8L199 E200 G205L199-S203 WeakPolarHBondContact O-CB 3.23Å; L199-S203 PolarHBondContact O-N 2.87Å; L199-S203 PolarHBondContact O-OG 3.47Å; E200-S203 WeakPolarHBondContact CA-OG 3.33Å; E200-S203 PolarHBondContact O-N 3.35Å; E200-S203 PolarHBondContact O-OG 3.39Å; S203-G205 PolarHBondContact O-N 2.89Å
204T79.1Confident69.2Low80 Ų80102.1 Ų102.149%0.49153%0.529SS..THydrogen-bonded Turntrans-76.9-10.4175.559.90000113.1E200 A201 Q206E200-T204 HydrophobicContact CG-CG2 3.9Å; E200-T204 VanDerWaalsContact O-CB 3.24Å; E200-T204 WeakPolarHBondContact O-CB 3.35Å; E200-T204 WeakPolarHBondContact O-CG2 3.28Å; E200-T204 PolarHBondContact O-N 3.36Å; E200-T204 PolarHBondContact O-OG1 3.21Å; A201-T204 PolarHBondContact O-OG1 3.49Å; T204-Q206 VanDerWaalsContact C-N 3.29Å; T204-Q206 PolarHBondContact O-N 2.98Å
205G79.2Confident67.7Low38 Ų38106 Ų10639%0.39256%0.555SS.*THydrogen-bonded Turntrans79.34.2-177.700000114.6A201 S203 A207 F208A201-G205 CarbonylContact O-C 3.56Å; A201-G205 PolarHBondContact O-N 3.49Å; S203-G205 PolarHBondContact O-N 2.89Å; G205-A207 VanDerWaalsContact C-N 3.26Å; G205-A207 PolarHBondContact O-N 2.86Å; G205-F208 PolarHBondContact O-N 3.48Å; G205-F208 VanDerWaalsContact O-O 3.09Å
206Q75.3Confident66Low144 Ų144103.1 Ų103.167%0.67356%0.559SS**THydrogen-bonded Turntrans-66.3-26.1175.6-66.7-15925.800113.4A201 T204 F208A201-Q206 HydrophobicContact CB-CB 4.34Å; A201-Q206 PolarHBondContact O-N 3.19Å; T204-Q206 VanDerWaalsContact C-N 3.29Å; T204-Q206 PolarHBondContact O-N 2.98Å; Q206-F208 PolarHBondContact O-N 3.03Å
207A68Low64.1Low24 Ų24104.9 Ų104.920%0.19857%0.573CS.*THydrogen-bonded Turntrans-67.6-21.2178.500000113.5L183 A201 L202 G205L183-A207 HydrophobicContact CD2-CB 4.41Å; A201-A207 HydrophobicContact CB-CB 4.18Å; A201-A207 WeakPolarHBondContact O-CB 3.45Å; A201-A207 PolarHBondContact O-N 2.92Å; L202-A207 HydrophobicContact CD2-CB 3.59Å; L202-A207 HydrophobicContact CG-CB 3.91Å; G205-A207 VanDerWaalsContact C-N 3.26Å; G205-A207 PolarHBondContact O-N 2.86Å
208F71.4Confident62.1Low145 Ų145110.9 Ų110.964%0.63660%0.596SS**SBendtrans-124.398.9177.3-59.5-70.6000109.3L202 G205 Q206 Q210L202-F208 HydrophobicContact CD2-CD2 4.35Å; L202-F208 HydrophobicContact CD2-CE2 3.48Å; L202-F208 VanDerWaalsContact CD2-CE2 3.48Å; L202-F208 HydrophobicContact CD2-CZ 3.92Å; G205-F208 PolarHBondContact O-N 3.48Å; G205-F208 VanDerWaalsContact O-O 3.09Å; Q206-F208 PolarHBondContact O-N 3.03Å; F208-Q210 PolarHBondContact O-N 3.45Å
209P60.4Low60.2Low73 Ų73111.9 Ų111.947%0.47461%0.608SS.*  trans-54110.6168.1-17.828.5000107.4R211P209-R211 PolarHBondContact O-N 3.33Å
210Q54.8Low58.7Low157 Ų157115.6 Ų115.673%0.73462%0.623SS**  trans-52.9110.8-176.5-88178.3-27.100108.8F208 F212F208-Q210 PolarHBondContact O-N 3.45Å; Q210-F212 PolarHBondContact O-N 3.16Å
211R51.2Low57.1Low196 Ų196116 Ų11674%0.7463%0.634SS**  trans-67.715.7171.3-90.9-178.6157-176.3-5.7113.6P209P209-R211 PolarHBondContact O-N 3.33Å
212F42.6Very low55.2Low172 Ų172126.8 Ų126.875%0.75467%0.673SS**  trans-133.677.8-168-70.1-75.8000111.5Q210Q210-F212 PolarHBondContact O-N 3.16Å
213K42.8Very low53.4Low179 Ų179133.7 Ų133.778%0.77869%0.693SS**  trans-154.677.3143.6-64.3-165.2-176.71720108.9P215K213-P215 WeakPolarHBondContact O-CD 3.21Å
214T43.4Very low51.9Low134 Ų134138.3 Ų138.382%0.82270%0.701SS**  trans-68.3116.3141.344.20000105.8G216T214-G216 PolarHBondContact O-N 3.1Å
215P37.9Very low50.3Low127 Ų127144.2 Ų144.283%0.82572%0.722SS**  trans-70120.8172.5-825000107.9K213K213-P215 WeakPolarHBondContact O-CD 3.21Å
216G38.7Very low48.5Very low69 Ų69146.8 Ų146.871%0.71174%0.74SS**  trans90.870.8159.600000116.8T214T214-G216 PolarHBondContact O-N 3.1Å
217V41.7Very low46.8Very low142 Ų142151.7 Ų151.786%0.86175%0.752SS**  -144.5111.7127-173.90000107.5S219V217-S219 PolarHBondContact O-N 3.49Å
218E37.9Very low45.7Very low172 Ų172156.6 Ų156.680%0.80478%0.782SS**  trans-47.7123170.8-66167.8156.500110.6
219S37.4Very low44.2Very low88 Ų88161.3 Ų161.362%0.61580%0.795SS**  85.4118.495.9-55.60000114.5V217V217-S219 PolarHBondContact O-N 3.49Å
220H47.1Very low43.2Very low170 Ų170161.3 Ų161.379%0.78781%0.808SS**  trans98.7122.6144-56.8-45.3000120.4
221T47.6Very low42.6Very low132 Ų132159.4 Ų159.481%0.8181%0.812SS**  trans100.374.9150.975.20000119.2
222R41.9Very low42.1Very low236 Ų236155 Ų15589%0.89181%0.811SS**  16.1107.7113.7-166.4-175.1-166.7-160.14.8116.6
223R44Very low42.1Very low234 Ų234152.3 Ų152.388%0.88381%0.814SS**  trans-177.1104.1135.9-106.9168.5163.1166-4.6109.5
224K47.7Very low42Very low192 Ų192147.4 Ų147.484%0.83581%0.807SS**  53.5115.5104-74.8-166.5175.2-1730114.2A226K224-A226 PolarHBondContact O-N 2.88Å
225H44.7Very low41.9Very low205 Ų205151.7 Ų151.795%0.94982%0.815SS**  trans-23.7121.1161.4-72.4-75.6000115.5
226A42.8Very low41.9Very low91 Ų91150.3 Ų150.375%0.75281%0.814SS**  trans-162.7127.5140.300000107.5K224K224-A226 PolarHBondContact O-N 2.88Å
227R37.9Very low42Very low248 Ų248151.7 Ų151.794%0.93682%0.818SS**  trans-59.7148.3162-76.2175.7155.5-174-6108.3
228P45.1Very low41.8Very low126 Ų126150.7 Ų150.782%0.81882%0.818SS**  -144.4166114.631-12.7000114.9
229R39.5Very low42.1Very low245 Ų245154.4 Ų154.493%0.92582%0.824SS**  trans-57.5147.7169.8-72.2164.9138.7160.9-8.3112.5
230G39.8Very low42.2Very low72 Ų72159.5 Ų159.574%0.74284%0.838SS**  95.9130.4126.300000117.9
231S42.2Very low41.7Very low117 Ų117163.2 Ų163.282%0.81885%0.846SS**  trans73.6139.6156.4-122.80000116.4
232S41.3Very low42Very low103 Ų103161.7 Ų161.772%0.7285%0.846SS**  cis165.3131.2-11.143.10000103.7
233S42.8Very low41.9Very low117 Ų117158.3 Ų158.382%0.81885%0.846SS**  trans170.893.9156.8165.90000107.2
234A41.7Very low41.7Very low75 Ų75151.1 Ų151.162%0.6284%0.836SS**  91.995.185.100000111.6
235F39.8Very low41.5Very low225 Ų225147.3 Ų147.399%0.98783%0.831SS**  -129.494.5127.1-90.5-80.8000105.8
236A39.3Very low41.5Very low98 Ų98142 Ų14281%0.8182%0.818SS**  trans-107.6124.1172.200000107.2
237A40.7Very low41.5Very low97 Ų97144.8 Ų144.880%0.80282%0.82SS**  trans-129.696.6157.700000107
238S37.4Very low41.9Very low122 Ų122139.2 Ų139.285%0.85381%0.813SS**  trans5696.6145.2-510000118.6
239R42.7Very low41.8Very low249 Ų249137.1 Ų137.194%0.9481%0.806SS**  trans-135.498.9148.1-152.5171.6177.7-178.8-0.8108.1
240E39.6Very low42.3Very low195 Ų195132 Ų13291%0.91180%0.802SS**  trans-55.3133.8174-82.7178.6102.600111.1
241R37.2Very low42.3Very low249 Ų249134.4 Ų134.494%0.9481%0.805SS**  trans-145.7104.6154-146.5173.2-169.3178.21.6107.6
242A53.9Low42.5Very low99 Ų99132.6 Ų132.682%0.81881%0.805SS**  trans-72.3144.717500000110.9
243D40.2Very low42.7Very low165 Ų165133.8 Ų133.888%0.88281%0.807SS**  trans-70.7158174.6-124.4-31000111.9
244A40.4Very low42.9Very low83 Ų83135.1 Ų135.169%0.68681%0.811SS**  trans-59.1176.2176.300000112.7
245P43.2Very low43.1Very low112 Ų112140.2 Ų140.273%0.72782%0.819SS**  cis-149.9178.621.139.9-17000118.6
246S44.9Very low43.4Very low95 Ų95139.1 Ų139.166%0.66481%0.813SS**  trans94.9136.6143.781.80000119.7
247N42.9Very low43.5Very low149 Ų149140.3 Ų140.380%0.79781%0.811SS**  trans79.2138164.2-58.4-17000116.7
248V45.1Very low43.4Very low131 Ų131147.4 Ų147.479%0.79482%0.817SS**  cis177.4155.5-18.5129.50000102.9
249A42.7Very low43.9Very low81 Ų81153.3 Ų153.367%0.66982%0.82SS**  trans89.393.516000000120.4
250T51.4Low43.8Very low138 Ų138146.5 Ų146.585%0.84782%0.817SS**  72.7139.4122.729.70000123.8
251P39.2Very low44Very low123 Ų123141.8 Ų141.880%0.79981%0.811SS**  trans-103.9158.4-169.540.4-31.5000114.6
252G47.1Very low44.3Very low79 Ų79139.5 Ų139.581%0.81481%0.809SS**  trans-132.8117.3171.700000111.9
253T45.2Very low43.6Very low127 Ų127143.9 Ų143.978%0.77981%0.812SS**  trans-84.2131.3175.4-67.90000110.2
254V47.4Very low43.8Very low146 Ų146141.2 Ų141.289%0.88580%0.804SS**  trans-141.5125.4155.6-165.90000110.8
255K45.2Very low43.7Very low181 Ų181147.2 Ų147.279%0.78781%0.814SS**  trans-89.6160.1173.7-73.6176.2172.8172.10110.5
256K45.2Very low43.3Very low202 Ų202146.7 Ų146.788%0.87882%0.819SS**  trans86.2122.4144.6-133.2173-172.5178.70115.5
257V41.3Very low43.1Very low124 Ų124147.1 Ų147.175%0.75283%0.828SS**  -173.1123.3110.5163.50000109.6R259V257-R259 HydrophobicContact CG1-CG 4.38Å
258R40Very low42.8Very low246 Ų246145.6 Ų145.693%0.92883%0.83SS**  trans-74.6140.7163.7-94.7174161.3166.1-5.9109.3
259R46.7Very low42.5Very low245 Ų245148.9 Ų148.993%0.92584%0.836SS**  trans-137.4123.6149-75.8-171.1175.3171.2-1.3110V257V257-R259 HydrophobicContact CG1-CG 4.38Å
260A40.4Very low41.9Very low106 Ų106153.7 Ų153.788%0.87685%0.845SS**  trans-112133.8167.600000107.6
261A45.3Very low41.4Very low96 Ų96153.8 Ų153.879%0.79385%0.845SS**  trans-142.1105.1167.700000105.6
262K43.4Very low41.2Very low202 Ų202152.3 Ų152.388%0.87884%0.843SS**  66.490.683.4-159.1170.2-172.51790112.5
263Q37.9Very low40.6Very low190 Ų190159.7 Ų159.789%0.88885%0.846SS**  trans-83.5152157.2-74.4-173.3-25.400110.2
264P45.5Very low40.5Very low109 Ų109158.5 Ų158.571%0.70884%0.841SS**  trans-130.3135.5150.634.3-19.6000114.2
265K38Very low40Very low210 Ų210159 Ų15991%0.91384%0.838SS**  trans55.7120.8133.7-71.1-173.4172-175.80121.4
266A34.8Very low39.7Very low101 Ų101157.3 Ų157.384%0.83584%0.838SS**  trans-60.5150.3158.500000113.9
267A39.6Very low39.3Very low103 Ų103152.5 Ų152.585%0.85183%0.83SS**  trans-136.5121.2157.500000108.3
268S37.2Very low39Very low118 Ų118150.3 Ų150.383%0.82583%0.832SS**  trans-76.2142.5172.8-54.80000110.6
269Q39.8Very low38.7Very low200 Ų200148.7 Ų148.794%0.93583%0.832SS**  trans-143.5130.2153.5-111.6178-0.100110.1
270E30.2Very low38.2Very low182 Ų182145 Ų14585%0.8583%0.83SS**  trans-112.7122.8-172.4172.5-170.6-175.700106.9
271V39.3Very low38.2Very low140 Ų140145 Ų14585%0.84882%0.823SS**  trans-152.4114.1158.9-177.80000111.5
272A36Very low37.8Very low91 Ų91148.7 Ų148.775%0.75283%0.83SS**  trans49.3126139.900000123.6
273R34.3Very low38Very low235 Ų235141 Ų14189%0.88781%0.807SS**  trans-90.1-165158-47.2177.2162.5-174.4-5110.3
274P43.2Very low38.6Very low102 Ų102137.2 Ų137.266%0.66279%0.792SS**  cis-142.2-172.1-10.631.5-7000116.4
275N37.8Very low38.5Very low155 Ų155137 Ų13783%0.82980%0.8SS**  trans83.3133.3163.2-60.7-9.9000116
276D37.2Very low38.8Very low146 Ų146129.1 Ų129.178%0.78178%0.778SS**  cis-167.3159.944.2-179.534000112.3
277S37.7Very low39.5Very low102 Ų102125.9 Ų125.971%0.71375%0.751SS**  trans62.6113.4152.343.40000123.4
278G35.4Very low40.5Very low77 Ų77127.9 Ų127.979%0.79475%0.753SS**  trans171.268.7161.100000114.6L280G278-L280 PolarHBondContact O-N 2.77Å
279K32.9Very low41.9Very low212 Ų212125.6 Ų125.692%0.92273%0.731SS**  trans-55.3118168.4-93.7176.1172.2176.10109.8
280L36Very low43.1Very low169 Ų169116.8 Ų116.889%0.88569%0.69SS**  trans-173.6118.8149.7-94.9151.2000109.3G278G278-L280 PolarHBondContact O-N 2.77Å
281S40.4Very low44.9Very low106 Ų106110.8 Ų110.874%0.74167%0.672SS**  trans77.478.2168.373.50000119.6G283S281-G283 PolarHBondContact O-N 3.43Å
282D36.6Very low46.6Very low173 Ų173106.6 Ų106.693%0.92565%0.645SS**THydrogen-bonded Turntrans-72.721.9172.4-87.3-32.9000115.5
283G48.5Very low48.2Very low40 Ų40104 Ų10441%0.41262%0.618SS.*THydrogen-bonded Turntrans-90.2-27.1-173.300000116S281 R296S281-G283 PolarHBondContact O-N 3.43Å; G283-R296 WeakPolarHBondContact O-CD 3.24Å; G283-R296 PolarHBondContact O-NH1 3.45Å
284I49.9Very low49.7Very low111 Ų11196.1 Ų96.157%0.56959%0.593SS**SBendtrans-122.1-12.9-160.1-54.4178.9000112.8G286I284-G286 PolarHBondContact O-N 3.43Å
285A44.8Very low51.2Low105 Ų10598.9 Ų98.987%0.86859%0.591SS**THydrogen-bonded Turntrans-75.211.5-169.500000116.5
286G43.3Very low52.9Low43 Ų4395.3 Ų95.344%0.44357%0.566SS.*THydrogen-bonded Turntrans-136.811.5-174.500000116.1I284 T288I284-G286 PolarHBondContact O-N 3.43Å; G286-T288 PolarHBondContact O-N 2.8Å; G286-T288 VanDerWaalsContact O-N 3.15Å
287A49.7Very low54.2Low33 Ų3391 Ų9127%0.27354%0.542SS..  trans-74.2106.1179.100000110.3D289 L293A287-D289 VanDerWaalsContact C-N 3.34Å; A287-L293 HydrophobicContact CB-CB 3.94Å; A287-L293 HydrophobicContact CB-CD1 4.39Å
288T60.4Low55.5Low145 Ų14594.5 Ų94.589%0.8954%0.544SS*.  trans-85.7-8.5175.649.80000113.1G286G286-T288 PolarHBondContact O-N 2.8Å; G286-T288 VanDerWaalsContact O-N 3.15Å
289D67Low57Low71 Ų7197.2 Ų97.238%0.3854%0.536SS..SBendtrans-142.3145.2-179.3-174.313.4000110.5V7 A287 A291 D292 L293V7-D289 WeakPolarHBondContact CG2-OD1 3.27Å; A287-D289 VanDerWaalsContact C-N 3.34Å; D289-A291 PolarHBondContact O-N 2.75Å; D289-D292 PolarHBondContact O-N 3.33Å; D289-L293 PolarHBondContact O-N 2.63Å; D289-L293 VanDerWaalsContact O-N 3.12Å
290L64.6Low57.8Low14 Ų1492 Ų927%0.07353%0.533CS..Hα-helixtrans-59.9-32.1177.8-175.171.4000111I4 L13 V16 D292 L293 L294I4-L290 HydrophobicContact CG2-CD1 4.47Å; L13-L290 HydrophobicContact CD1-CD1 4.09Å; V16-L290 HydrophobicContact CG2-CD2 4.19Å; L290-D292 VanDerWaalsContact C-N 3.32Å; L290-D292 PolarHBondContact O-N 3.03Å; L290-L293 PolarHBondContact O-N 3.33Å; L290-L294 HydrophobicContact CD2-CD1 4.44Å; L290-L294 HydrophobicContact CG-CD1 4.12Å; L290-L294 HydrophobicContact CG-CG 4.31Å; L290-L294 VanDerWaalsContact O-CB 3.3Å; L290-L294 WeakPolarHBondContact O-CB 3.34Å; L290-L294 VanDerWaalsContact O-CG 3.25Å; L290-L294 WeakPolarHBondContact O-CG 3.48Å; L290-L294 PolarHBondContact O-N 2.94Å
291A69Low58.9Low56 Ų5688.2 Ų88.246%0.46352%0.515SS..Hα-helixtrans-61.9-39.3175.700000112.3D289 R295D289-A291 PolarHBondContact O-N 2.75Å; A291-R295 WeakPolarHBondContact O-CB 3.01Å; A291-R295 PolarHBondContact O-N 3.42Å
292D73.8Confident59.9Low52 Ų5287.2 Ų87.228%0.27850%0.503SS..Hα-helixtrans-71.7-39.1176.4-166.134.4000111D289 L290 L294 R295 R296D289-D292 PolarHBondContact O-N 3.33Å; L290-D292 VanDerWaalsContact C-N 3.32Å; L290-D292 PolarHBondContact O-N 3.03Å; D292-L294 PolarHBondContact O-N 2.79Å; D292-R295 PolarHBondContact O-N 3.45Å; D292-R296 WeakPolarHBondContact O-CG 3.43Å; D292-R296 PolarHBondContact O-N 2.53Å; D292-R296 IonicContact OD1-NE 3.24Å; D292-R296 IonicContact OD2-CZ 3.78Å; D292-R296 IonicContact OD2-NE 3.84Å; D292-R296 PolarHBondContact OD2-NE 2.82Å; D292-R296 IonicContact OD2-NH2 2.99Å; D292-R296 PolarHBondContact OD2-NH2 3.47Å
293L69.3Low61.2Low37 Ų3782.4 Ų82.419%0.19448%0.48CS..Hα-helixtrans-62.6-43174.2-167.6146.7000111.9L13 A287 D289 L290 R295 R296 L297L13-L293 HydrophobicContact CD1-CD2 3.89Å; A287-L293 HydrophobicContact CB-CB 3.94Å; A287-L293 HydrophobicContact CB-CD1 4.39Å; D289-L293 PolarHBondContact O-N 2.63Å; D289-L293 VanDerWaalsContact O-N 3.12Å; L290-L293 PolarHBondContact O-N 3.33Å; L293-R295 VanDerWaalsContact C-N 3.34Å; L293-R295 PolarHBondContact O-N 3Å; L293-R296 PolarHBondContact O-N 3.07Å; L293-L297 HydrophobicContact CD2-CD1 3.49Å; L293-L297 VanDerWaalsContact CD2-CD1 3.49Å; L293-L297 HydrophobicContact CD2-CG 4.05Å; L293-L297 WeakPolarHBondContact O-CB 3.37Å; L293-L297 WeakPolarHBondContact O-CG 3.35Å; L293-L297 PolarHBondContact O-N 3.15Å
294L66.4Low61.9Low70 Ų7084.9 Ų84.937%0.36648%0.484SS..Hα-helixtrans-61-42175-81.9169.5000112V16 L290 D292 L297 K298V16-L294 HydrophobicContact CB-CD2 4.24Å; V16-L294 HydrophobicContact CG1-CD2 3.23Å; V16-L294 HydrophobicContact CG1-CG 4.22Å; V16-L294 HydrophobicContact CG2-CD2 4Å; L290-L294 HydrophobicContact CD2-CD1 4.44Å; L290-L294 HydrophobicContact CG-CD1 4.12Å; L290-L294 HydrophobicContact CG-CG 4.31Å; L290-L294 VanDerWaalsContact O-CB 3.3Å; L290-L294 WeakPolarHBondContact O-CB 3.34Å; L290-L294 VanDerWaalsContact O-CG 3.25Å; L290-L294 WeakPolarHBondContact O-CG 3.48Å; L290-L294 PolarHBondContact O-N 2.94Å; D292-L294 PolarHBondContact O-N 2.79Å; L294-L297 PolarHBondContact O-N 3.3Å; L294-K298 WeakPolarHBondContact O-CB 3.04Å; L294-K298 PolarHBondContact O-N 3.38Å; L294-K298 VanDerWaalsContact O-N 3.09Å
295R75.1Confident62.7Low160 Ų16083.3 Ų83.360%0.60448%0.478SS*.Hα-helixtrans-62-47.9176.5-175.5177.5175.3168.8-2.5110.9A291 D292 L293 L297 K298 E299A291-R295 WeakPolarHBondContact O-CB 3.01Å; A291-R295 PolarHBondContact O-N 3.42Å; D292-R295 PolarHBondContact O-N 3.45Å; L293-R295 VanDerWaalsContact C-N 3.34Å; L293-R295 PolarHBondContact O-N 3Å; R295-L297 PolarHBondContact O-N 3.33Å; R295-K298 PolarHBondContact O-N 2.94Å; R295-E299 WeakPolarHBondContact CG-OE1 3.49Å; R295-E299 IonicContact CZ-OE1 3.74Å; R295-E299 IonicContact NE-OE1 3.45Å; R295-E299 PolarHBondContact NE-OE1 3.44Å; R295-E299 IonicContact NH2-OE1 2.6Å; R295-E299 WeakPolarHBondContact O-CG 3.47Å; R295-E299 PolarHBondContact O-N 2.99Å; R295-E299 VanDerWaalsContact O-N 3.08Å
296R72.6Confident63.9Low80 Ų8081.9 Ų81.930%0.30245%0.452SS..Hα-helixtrans-64.7-38.7178.9-67.2175.9-169.2-151.110.4112.9G283 D292 L293 K298 E299 A300G283-R296 WeakPolarHBondContact O-CD 3.24Å; G283-R296 PolarHBondContact O-NH1 3.45Å; D292-R296 WeakPolarHBondContact O-CG 3.43Å; D292-R296 PolarHBondContact O-N 2.53Å; D292-R296 IonicContact OD1-NE 3.24Å; D292-R296 IonicContact OD2-CZ 3.78Å; D292-R296 IonicContact OD2-NE 3.84Å; D292-R296 PolarHBondContact OD2-NE 2.82Å; D292-R296 IonicContact OD2-NH2 2.99Å; D292-R296 PolarHBondContact OD2-NH2 3.47Å; L293-R296 PolarHBondContact O-N 3.07Å; R296-K298 VanDerWaalsContact C-N 3.28Å; R296-K298 PolarHBondContact O-N 2.98Å; R296-E299 PolarHBondContact O-N 2.99Å; R296-A300 PolarHBondContact O-N 3.04Å
297L64.3Low65.3Low54 Ų5484.6 Ų84.628%0.28345%0.453SS..Hα-helixtrans-69.9-21.6175.4-76.1-178.4000113.8R24 L293 L294 R295R24-L297 PolarHBondContact NH2-O 2.98Å; L293-L297 HydrophobicContact CD2-CD1 3.49Å; L293-L297 VanDerWaalsContact CD2-CD1 3.49Å; L293-L297 HydrophobicContact CD2-CG 4.05Å; L293-L297 WeakPolarHBondContact O-CB 3.37Å; L293-L297 WeakPolarHBondContact O-CG 3.35Å; L293-L297 PolarHBondContact O-N 3.15Å; L294-L297 PolarHBondContact O-N 3.3Å; R295-L297 PolarHBondContact O-N 3.33Å
298K65.3Low66.5Low176 Ų17688.6 Ų88.677%0.76547%0.467SS*.Hα-helixtrans-85.7-28.5175.5-166.5175.7179.3-179.50112.4R24 L294 R295 R296R24-K298 PolarHBondContact NH2-O 3.27Å; L294-K298 WeakPolarHBondContact O-CB 3.04Å; L294-K298 PolarHBondContact O-N 3.38Å; L294-K298 VanDerWaalsContact O-N 3.09Å; R295-K298 PolarHBondContact O-N 2.94Å; R296-K298 VanDerWaalsContact C-N 3.28Å; R296-K298 PolarHBondContact O-N 2.98Å
299E67.3Low67Low135 Ų13583.9 Ų83.963%0.63143%0.432SS*.Hα-helixtrans-84.4-27.3178.8-70.3173.2-173.500113.2R295 R296R295-E299 WeakPolarHBondContact CG-OE1 3.49Å; R295-E299 IonicContact CZ-OE1 3.74Å; R295-E299 IonicContact NE-OE1 3.45Å; R295-E299 PolarHBondContact NE-OE1 3.44Å; R295-E299 IonicContact NH2-OE1 2.6Å; R295-E299 WeakPolarHBondContact O-CG 3.47Å; R295-E299 PolarHBondContact O-N 2.99Å; R295-E299 VanDerWaalsContact O-N 3.08Å; R296-E299 PolarHBondContact O-N 2.99Å
300A49.9Very low67Low102 Ų10285.1 Ų85.184%0.84344%0.437SS*.  trans-77.30167.800000112R24 R296R24-A300 PolarHBondContact NH1-OXT 3.34Å; R24-A300 PolarHBondContact NH2-OXT 3.08Å; R296-A300 PolarHBondContact O-N 3.04Å

Retrieved 300 of 300 residues in 311.2 ms (Link to these results)

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