A0A5K4F4H7_SCHMA Loading...

Annexin

AlphaFold DB , UniProt , Accession A0A5K4F4H7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 389 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
1M47.3Very low54.8Low183 Ų18396.9 Ų96.990%0.90152%0.516SS*.  0-65.80-154.5178.480.800112.8D4 L5M1-D4 WeakPolarHBondContact CA-OD2 3.4Å; M1-D4 PolarHBondContact N-OD2 3.29Å; M1-D4 PolarHBondContact O-N 3.33Å; M1-L5 WeakPolarHBondContact O-CB 3.45Å; M1-L5 PolarHBondContact O-N 3.18Å
2L37.2Very low56.6Low141 Ų14196.9 Ų96.974%0.73852%0.515SS*.Hα-helixtrans-64-44.4178.3-86.3159.8000112.9D4 L5 V6L2-D4 PolarHBondContact O-N 3.13Å; L2-L5 PolarHBondContact O-N 3.33Å; L2-V6 WeakPolarHBondContact O-CG2 3.06Å; L2-V6 PolarHBondContact O-N 3.38Å
3L40.5Very low58.1Low133 Ų13394.3 Ų94.370%0.69650%0.5SS*.Hα-helixtrans-60.3-43.3174-91.4113.2000112.4L5 V6 N7L3-L5 VanDerWaalsContact C-N 3.27Å; L3-L5 PolarHBondContact O-N 2.88Å; L3-V6 PolarHBondContact O-N 3.46Å; L3-N7 WeakPolarHBondContact O-CB 3.4Å; L3-N7 PolarHBondContact O-N 2.95Å; L3-N7 PolarHBondContact O-ND2 3.09Å
4D46.9Very low59.4Low108 Ų10887.9 Ų87.958%0.57847%0.466SS*.Hα-helixtrans-63.6-36.5178.7-49.4-51.8000111.7M1 L2 G8M1-D4 WeakPolarHBondContact CA-OD2 3.4Å; M1-D4 PolarHBondContact N-OD2 3.29Å; M1-D4 PolarHBondContact O-N 3.33Å; L2-D4 PolarHBondContact O-N 3.13Å; D4-G8 PolarHBondContact O-N 3.44Å
5L46.4Very low60.7Low111 Ų11185.5 Ų85.558%0.58145%0.452SS*.Hα-helixtrans-70.4-39.4177.6-155.5124.9000111.7M1 L2 L3 G8 L9M1-L5 WeakPolarHBondContact O-CB 3.45Å; M1-L5 PolarHBondContact O-N 3.18Å; L2-L5 PolarHBondContact O-N 3.33Å; L3-L5 VanDerWaalsContact C-N 3.27Å; L3-L5 PolarHBondContact O-N 2.88Å; L5-G8 PolarHBondContact O-N 3.23Å; L5-L9 HydrophobicContact CD2-CD1 3.95Å; L5-L9 WeakPolarHBondContact O-CG 3.44Å; L5-L9 PolarHBondContact O-N 3.03Å
6V58.5Low62Low85 Ų8585.8 Ų85.852%0.51545%0.453SS..Hα-helixtrans-66.2-45.4174.5172.50000110.8L2 L3 G8 L9 H10L2-V6 WeakPolarHBondContact O-CG2 3.06Å; L2-V6 PolarHBondContact O-N 3.38Å; L3-V6 PolarHBondContact O-N 3.46Å; V6-G8 VanDerWaalsContact C-N 3.32Å; V6-G8 PolarHBondContact O-N 3.49Å; V6-L9 PolarHBondContact O-N 3.24Å; V6-H10 WeakPolarHBondContact O-CB 3.46Å; V6-H10 PolarHBondContact O-N 3.36Å
7N59.1Low63.1Low70 Ų7082.4 Ų82.437%0.37443%0.434SS..Hα-helixtrans-61-43.4175-69-19.6000110.6L3 H10 F11L3-N7 WeakPolarHBondContact O-CB 3.4Å; L3-N7 PolarHBondContact O-N 2.95Å; L3-N7 PolarHBondContact O-ND2 3.09Å; N7-H10 WeakPolarHBondContact O-CB 3.23Å; N7-H10 PolarHBondContact O-N 3.28Å; N7-F11 HydrophobicContact CB-CE2 4.05Å; N7-F11 WeakPolarHBondContact O-CD2 3.41Å; N7-F11 WeakPolarHBondContact O-CE2 3.44Å; N7-F11 WeakPolarHBondContact O-CG 3.37Å; N7-F11 PolarHBondContact O-N 3.43Å
8G62.4Low64Low28 Ų2877.9 Ų77.929%0.28941%0.41SS..Hα-helixtrans-59.4-46.6175.900000113.4D4 L5 V6 H10 F11 I12D4-G8 PolarHBondContact O-N 3.44Å; L5-G8 PolarHBondContact O-N 3.23Å; V6-G8 VanDerWaalsContact C-N 3.32Å; V6-G8 PolarHBondContact O-N 3.49Å; G8-H10 VanDerWaalsContact C-N 3.31Å; G8-H10 PolarHBondContact O-N 2.93Å; G8-F11 PolarHBondContact O-N 2.95Å; G8-I12 WeakPolarHBondContact O-CG1 3.5Å; G8-I12 PolarHBondContact O-N 3.22Å; G8-I12 VanDerWaalsContact O-N 3.16Å
9L68Low64.8Low107 Ų10778.1 Ų78.156%0.5641%0.41SS*.Hα-helixtrans-62.8-38.7175-79.1161.6000112L5 V6 I12 L13L5-L9 HydrophobicContact CD2-CD1 3.95Å; L5-L9 WeakPolarHBondContact O-CG 3.44Å; L5-L9 PolarHBondContact O-N 3.03Å; V6-L9 PolarHBondContact O-N 3.24Å; L9-I12 PolarHBondContact O-N 3.05Å; L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 PolarHBondContact O-N 3.4Å
10H67.4Low65.6Low30 Ų3077.5 Ų77.514%0.13941%0.41CS..Hα-helixtrans-61.1-46.1176.8-173.3-79.5000111.7V6 N7 G8 I12 L13 T14 D132 Y168V6-H10 WeakPolarHBondContact O-CB 3.46Å; V6-H10 PolarHBondContact O-N 3.36Å; N7-H10 WeakPolarHBondContact O-CB 3.23Å; N7-H10 PolarHBondContact O-N 3.28Å; G8-H10 VanDerWaalsContact C-N 3.31Å; G8-H10 PolarHBondContact O-N 2.93Å; H10-I12 PolarHBondContact O-N 2.93Å; H10-L13 WeakPolarHBondContact O-CB 3.33Å; H10-L13 PolarHBondContact O-N 3.46Å; H10-T14 PolarHBondContact O-N 3.19Å; H10-T14 PolarHBondContact O-OG1 3.26Å; H10-D132 IonicContact CD2-OD1 3.47Å; H10-D132 IonicContact CE1-OD1 3Å; H10-D132 IonicContact CE1-OD2 2.95Å; H10-D132 PolarHBondContact CE1-OD2 3.32Å; H10-D132 IonicContact NE2-OD1 3.96Å; H10-D132 PolarHBondContact NE2-OD1 2.99Å; H10-D132 IonicContact NE2-OD2 3.94Å; H10-D132 PolarHBondContact NE2-OD2 3.23Å; H10-Y168 AromaticContact CD2-CD1 3.94Å; H10-Y168 AromaticContact CD2-CE1 3.75Å; H10-Y168 AromaticContact NE2-CD1 3.65Å; H10-Y168 AromaticContact NE2-CE1 3.09Å; H10-Y168 WeakPolarHBondContact NE2-CE1 3.48Å; H10-Y168 AromaticContact NE2-CZ 3.87Å
11F68.8Low66.1Low70 Ų7076.3 Ų76.331%0.30740%0.403SS..Hα-helixtrans-61.7-43.2176.8-64.5-52.8000112.5N7 G8 L13 T14 E15 Q117N7-F11 HydrophobicContact CB-CE2 4.05Å; N7-F11 WeakPolarHBondContact O-CD2 3.41Å; N7-F11 WeakPolarHBondContact O-CE2 3.44Å; N7-F11 WeakPolarHBondContact O-CG 3.37Å; N7-F11 PolarHBondContact O-N 3.43Å; G8-F11 PolarHBondContact O-N 2.95Å; F11-L13 VanDerWaalsContact C-N 3.27Å; F11-L13 PolarHBondContact O-N 3.08Å; F11-T14 PolarHBondContact O-N 3.38Å; F11-E15 WeakPolarHBondContact O-CB 3.42Å; F11-E15 PolarHBondContact O-N 3.28Å; F11-Q117 VanDerWaalsContact CD1-OE1 3.23Å
12I76.2Confident67.5Low97 Ų9767.8 Ų67.850%0.49736%0.361SS..Hα-helixtrans-60.3-41.6176.6-66167.7000110.5G8 L9 H10 E15 I16G8-I12 WeakPolarHBondContact O-CG1 3.5Å; G8-I12 PolarHBondContact O-N 3.22Å; G8-I12 VanDerWaalsContact O-N 3.16Å; L9-I12 PolarHBondContact O-N 3.05Å; H10-I12 PolarHBondContact O-N 2.93Å; I12-E15 PolarHBondContact O-N 3.08Å; I12-I16 HydrophobicContact CG2-CD1 3.74Å; I12-I16 HydrophobicContact CG2-CG1 4.44Å; I12-I16 WeakPolarHBondContact O-CD1 3.47Å; I12-I16 VanDerWaalsContact O-CG1 3.23Å; I12-I16 WeakPolarHBondContact O-CG1 3.29Å; I12-I16 PolarHBondContact O-N 3.45Å
13L76.6Confident69.2Low63 Ų6364.8 Ų64.833%0.3335%0.352SS..Hα-helixtrans-64-47.8179.1-17762.4000111.6L9 H10 F11 E15 I16 I17 I167 Y168L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 PolarHBondContact O-N 3.4Å; H10-L13 WeakPolarHBondContact O-CB 3.33Å; H10-L13 PolarHBondContact O-N 3.46Å; F11-L13 VanDerWaalsContact C-N 3.27Å; F11-L13 PolarHBondContact O-N 3.08Å; L13-E15 VanDerWaalsContact C-N 3.34Å; L13-E15 PolarHBondContact O-N 3.35Å; L13-I16 PolarHBondContact O-N 2.83Å; L13-I17 HydrophobicContact CD1-CD1 4.14Å; L13-I17 HydrophobicContact CG-CD1 3.86Å; L13-I17 WeakPolarHBondContact O-CD1 3.44Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.28Å; L13-I17 PolarHBondContact O-N 3.34Å; L13-I167 HydrophobicContact CD2-CG2 3.76Å; L13-I167 HydrophobicContact CG-CG2 4.2Å; L13-Y168 HydrophobicContact CD2-CD1 4.27Å; L13-Y168 HydrophobicContact CD2-CE1 4.33Å
14T76.2Confident70.7Confident4 Ų465 Ų653%0.02534%0.344CS..Hα-helixtrans-61.9-42.5178.1-51.80000111.5H10 F11 I16 I17 L18 E120H10-T14 PolarHBondContact O-N 3.19Å; H10-T14 PolarHBondContact O-OG1 3.26Å; F11-T14 PolarHBondContact O-N 3.38Å; T14-I16 PolarHBondContact O-N 2.98Å; T14-I17 PolarHBondContact O-N 2.76Å; T14-L18 HydrophobicContact CG2-CD1 4.27Å; T14-L18 WeakPolarHBondContact O-CG 3.38Å; T14-L18 PolarHBondContact O-N 3.19Å; T14-E120 WeakPolarHBondContact CB-OE1 3.34Å; T14-E120 HydrophobicContact CG2-CG 3.93Å; T14-E120 WeakPolarHBondContact CG2-OE1 3.27Å
15E78.9Confident71.4Confident53 Ų5367.1 Ų67.125%0.24836%0.356CS..Hα-helixtrans-59.1-48.7176.4-170.5-174.8152.800111.6F11 I12 L13 I17 L18 M19 L104 K107F11-E15 WeakPolarHBondContact O-CB 3.42Å; F11-E15 PolarHBondContact O-N 3.28Å; I12-E15 PolarHBondContact O-N 3.08Å; L13-E15 VanDerWaalsContact C-N 3.34Å; L13-E15 PolarHBondContact O-N 3.35Å; E15-I17 VanDerWaalsContact C-N 3.3Å; E15-I17 PolarHBondContact O-N 3.49Å; E15-L18 PolarHBondContact O-N 3.37Å; E15-M19 HydrophobicContact CG-SD 4.42Å; E15-M19 WeakPolarHBondContact O-CG 3.39Å; E15-M19 PolarHBondContact O-N 3.22Å; E15-L104 HydrophobicContact CG-CD2 3.72Å; E15-K107 IonicContact OE1-NZ 3.42Å; E15-K107 PolarHBondContact OE1-NZ 3.44Å; E15-K107 IonicContact OE2-NZ 3.78Å; E15-K107 PolarHBondContact OE2-NZ 3.08Å
16I81.8Confident72.4Confident90 Ų9069.7 Ų69.746%0.46237%0.365SS..Hα-helixtrans-59.3-43.8177.5-70167.1000110.5I12 L13 T14 L18 M19 V20I12-I16 HydrophobicContact CG2-CD1 3.74Å; I12-I16 HydrophobicContact CG2-CG1 4.44Å; I12-I16 WeakPolarHBondContact O-CD1 3.47Å; I12-I16 VanDerWaalsContact O-CG1 3.23Å; I12-I16 WeakPolarHBondContact O-CG1 3.29Å; I12-I16 PolarHBondContact O-N 3.45Å; L13-I16 PolarHBondContact O-N 2.83Å; T14-I16 PolarHBondContact O-N 2.98Å; I16-L18 PolarHBondContact O-N 3.03Å; I16-M19 PolarHBondContact O-N 3.48Å; I16-V20 HydrophobicContact CG2-CG2 4.28Å; I16-V20 WeakPolarHBondContact O-CB 3.38Å; I16-V20 VanDerWaalsContact O-CG2 3.25Å; I16-V20 WeakPolarHBondContact O-CG2 3.33Å; I16-V20 PolarHBondContact O-N 3.15Å
17I81.1Confident73Confident28 Ų2869.1 Ų69.114%0.14436%0.363CS..Hα-helixtrans-60.9-46.6178.7-70.6160.5000110.7L13 T14 E15 V20 L21 I128 I167L13-I17 HydrophobicContact CD1-CD1 4.14Å; L13-I17 HydrophobicContact CG-CD1 3.86Å; L13-I17 WeakPolarHBondContact O-CD1 3.44Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.28Å; L13-I17 PolarHBondContact O-N 3.34Å; T14-I17 PolarHBondContact O-N 2.76Å; E15-I17 VanDerWaalsContact C-N 3.3Å; E15-I17 PolarHBondContact O-N 3.49Å; I17-V20 PolarHBondContact O-N 3.16Å; I17-L21 HydrophobicContact CG2-CD1 3.75Å; I17-L21 HydrophobicContact CG2-CG 4.23Å; I17-L21 WeakPolarHBondContact O-CB 2.97Å; I17-L21 VanDerWaalsContact O-CG 3.26Å; I17-L21 WeakPolarHBondContact O-CG 3.36Å; I17-L21 PolarHBondContact O-N 3.19Å; I17-I128 HydrophobicContact CG2-CD1 4.17Å; I17-I167 HydrophobicContact CD1-CB 4.43Å; I17-I167 HydrophobicContact CD1-CD1 4.09Å; I17-I167 HydrophobicContact CD1-CG1 4.25Å; I17-I167 HydrophobicContact CD1-CG2 3.34Å
18L79.3Confident73.9Confident1 Ų173.1 Ų73.11%0.00538%0.377CS..Hα-helixtrans-62.9-43.5178.4-73.5173.3000111.9T14 E15 I16 V20 L21 Q22 M92 L104 E120 L123T14-L18 HydrophobicContact CG2-CD1 4.27Å; T14-L18 WeakPolarHBondContact O-CG 3.38Å; T14-L18 PolarHBondContact O-N 3.19Å; E15-L18 PolarHBondContact O-N 3.37Å; I16-L18 PolarHBondContact O-N 3.03Å; L18-V20 VanDerWaalsContact C-N 3.34Å; L18-V20 PolarHBondContact O-N 3.24Å; L18-L21 PolarHBondContact O-N 3.46Å; L18-Q22 WeakPolarHBondContact O-CB 3.44Å; L18-Q22 VanDerWaalsContact O-CG 3.28Å; L18-Q22 WeakPolarHBondContact O-CG 3.5Å; L18-Q22 PolarHBondContact O-N 3.34Å; L18-M92 HydrophobicContact CD2-CE 3.82Å; L18-L104 HydrophobicContact CB-CD2 3.72Å; L18-L104 HydrophobicContact CD1-CD1 4Å; L18-L104 HydrophobicContact CD1-CD2 4.31Å; L18-E120 HydrophobicContact CD1-CG 3.57Å; L18-L123 HydrophobicContact CD1-CB 4.4Å; L18-L123 HydrophobicContact CD2-CB 4.22Å
19M79.4Confident75.1Confident81 Ų8177.4 Ų77.440%0.39940%0.4SS..Hα-helixtrans-61.6-42.7176.1-69.8-176.676.200111.9E15 I16 Q22 S23 L104E15-M19 HydrophobicContact CG-SD 4.42Å; E15-M19 WeakPolarHBondContact O-CG 3.39Å; E15-M19 PolarHBondContact O-N 3.22Å; I16-M19 PolarHBondContact O-N 3.48Å; M19-Q22 PolarHBondContact O-N 2.79Å; M19-S23 PolarHBondContact O-N 3.44Å; M19-L104 HydrophobicContact CG-CD2 3.78Å
20V79.4Confident76.2Confident67 Ų6773.8 Ų73.841%0.40638%0.382SS..Hα-helixtrans-66.2-44.6177.5166.90000110.8I16 I17 L18 Q22 S23 Y24I16-V20 HydrophobicContact CG2-CG2 4.28Å; I16-V20 WeakPolarHBondContact O-CB 3.38Å; I16-V20 VanDerWaalsContact O-CG2 3.25Å; I16-V20 WeakPolarHBondContact O-CG2 3.33Å; I16-V20 PolarHBondContact O-N 3.15Å; I17-V20 PolarHBondContact O-N 3.16Å; L18-V20 VanDerWaalsContact C-N 3.34Å; L18-V20 PolarHBondContact O-N 3.24Å; V20-Q22 VanDerWaalsContact C-N 3.33Å; V20-Q22 PolarHBondContact O-N 3.08Å; V20-S23 PolarHBondContact O-N 2.91Å; V20-S23 PolarHBondContact O-OG 2.78Å; V20-Y24 HydrophobicContact CG1-CD2 4.44Å; V20-Y24 HydrophobicContact CG1-CE2 3.63Å; V20-Y24 WeakPolarHBondContact O-CD2 3.22Å; V20-Y24 WeakPolarHBondContact O-CE2 3.42Å
21L76.3Confident77.5Confident53 Ų5372.6 Ų72.628%0.27738%0.377SS..Hα-helixtrans-64-37.3177.6-71.8174.5000112.3I17 L18 S23 I128I17-L21 HydrophobicContact CG2-CD1 3.75Å; I17-L21 HydrophobicContact CG2-CG 4.23Å; I17-L21 WeakPolarHBondContact O-CB 2.97Å; I17-L21 VanDerWaalsContact O-CG 3.26Å; I17-L21 WeakPolarHBondContact O-CG 3.36Å; I17-L21 PolarHBondContact O-N 3.19Å; L18-L21 PolarHBondContact O-N 3.46Å; L21-S23 VanDerWaalsContact C-N 3.26Å; L21-S23 PolarHBondContact O-N 3.49Å; L21-I128 HydrophobicContact CD1-CD1 3.92Å
22Q76.7Confident78.6Confident4 Ų473.8 Ų73.82%0.01939%0.39CS..Hα-helixtrans-72.2-16.9178.1-73.2-179.7-6.800113.5L18 M19 V20 M92 N96 P102L18-Q22 WeakPolarHBondContact O-CB 3.44Å; L18-Q22 VanDerWaalsContact O-CG 3.28Å; L18-Q22 WeakPolarHBondContact O-CG 3.5Å; L18-Q22 PolarHBondContact O-N 3.34Å; M19-Q22 PolarHBondContact O-N 2.79Å; V20-Q22 VanDerWaalsContact C-N 3.33Å; V20-Q22 PolarHBondContact O-N 3.08Å; Q22-M92 HydrophobicContact CG-CB 4.38Å; Q22-M92 HydrophobicContact CG-CE 3.75Å; Q22-N96 PolarHBondContact O-ND2 2.94Å; Q22-P102 HydrophobicContact CB-CB 4.49Å
23S73.1Confident79.5Confident77 Ų7770.6 Ų70.654%0.53837%0.372SS..Hα-helixtrans-90.9-11.7-179.972.30000114.7M19 V20 L21M19-S23 PolarHBondContact O-N 3.44Å; V20-S23 PolarHBondContact O-N 2.91Å; V20-S23 PolarHBondContact O-OG 2.78Å; L21-S23 VanDerWaalsContact C-N 3.26Å; L21-S23 PolarHBondContact O-N 3.49Å
24Y72Confident80.3Confident137 Ų13768.2 Ų68.254%0.53736%0.36SS..  trans-72.2134.8175.1-78.3-85.7000111.8V20 E26V20-Y24 HydrophobicContact CG1-CD2 4.44Å; V20-Y24 HydrophobicContact CG1-CE2 3.63Å; V20-Y24 WeakPolarHBondContact O-CD2 3.22Å; V20-Y24 WeakPolarHBondContact O-CE2 3.42Å; Y24-E26 VanDerWaalsContact C-N 3.32Å
25D61.3Low81Confident154 Ų15473.6 Ų73.682%0.82439%0.385SS*.SBendtrans-70.9-26177.1-77.4-30.9000113.1H93D25-H93 PolarHBondContact O-CE1 3.4Å; D25-H93 VanDerWaalsContact O-CE1 3.31Å
26E68.1Low81.7Confident164 Ų16471.1 Ų71.177%0.76637%0.373SS*.SBendtrans-110120.1176-69.7-171.2172.600110.9Y24 K28Y24-E26 VanDerWaalsContact C-N 3.32Å; E26-K28 PolarHBondContact O-N 3.1Å
27P71.6Confident82.3Confident73 Ų7366.8 Ų66.847%0.47435%0.351SS..PPolyproline II helixtrans-70.3129.1177.428.4-31.7000109.5
28K78.1Confident82.8Confident155 Ų15567.4 Ų67.467%0.67435%0.353SS*.PPolyproline II helixtrans-60.5140162.3-71.2-177.8179.6176.80108.4E26E26-K28 PolarHBondContact O-N 3.1Å
29P86.8Confident83.3Confident118 Ų11867.5 Ų67.577%0.76635%0.354SS*.PPolyproline II helixtrans-52.9131.1172.1-25.534.2000109.9
30P91.6Very high83.6Confident30 Ų3065 Ų6520%0.19534%0.342CS..PPolyproline II helixtrans-67.2154.6-18028.3-34.4000110.5V32 A86 Q89P30-V32 PolarHBondContact O-N 2.89Å; P30-A86 HydrophobicContact CB-CB 4.09Å; P30-A86 HydrophobicContact CG-CB 3.63Å; P30-Q89 HydrophobicContact CB-CB 3.97Å; P30-Q89 HydrophobicContact CB-CG 3.85Å
31F94.4Very high83.8Confident6 Ų662.3 Ų62.33%0.02633%0.326CS..PPolyproline II helixtrans-63.2125.7171.5-179.1-100.6000110.1R33 N85 D125 T126 L130 E157 Q160 V161F31-R33 HydrophobicContact CE1-CG 4.37Å; F31-N85 PolarHBondContact O-ND2 3.35Å; F31-D125 WeakPolarHBondContact CB-OD1 3.42Å; F31-D125 PolarHBondContact N-OD2 3.3Å; F31-T126 HydrophobicContact CD1-CG2 3.83Å; F31-T126 HydrophobicContact CE1-CG2 3.87Å; F31-L130 HydrophobicContact CE1-CD1 3.81Å; F31-L130 HydrophobicContact CZ-CD1 3.9Å; F31-E157 HydrophobicContact CE2-CB 3.8Å; F31-E157 HydrophobicContact CE2-CG 4.05Å; F31-E157 HydrophobicContact CZ-CB 3.78Å; F31-E157 HydrophobicContact CZ-CG 3.86Å; F31-Q160 HydrophobicContact CD2-CB 4.03Å; F31-Q160 HydrophobicContact CE2-CB 4.15Å; F31-V161 HydrophobicContact CE2-CG2 4.1Å; F31-V161 HydrophobicContact CZ-CG2 4.26Å
32V92.9Very high84.1Confident95 Ų9563.5 Ų63.558%0.57633%0.33SS*.  trans-117.3131.1179.6178.60000108.9P30P30-V32 PolarHBondContact O-N 2.89Å
33R94.6Very high84.4Confident30 Ų3063.3 Ų63.311%0.11333%0.329CS..  trans-74.8140.1177.5-63.2-60.7-59-96.24111.3F31 H37 D152 E157 I326F31-R33 HydrophobicContact CE1-CG 4.37Å; R33-H37 PolarHBondContact NE-CD2 2.82Å; R33-H37 PolarHBondContact NE-NE2 3Å; R33-H37 PolarHBondContact NH2-CD2 2.88Å; R33-H37 PolarHBondContact NH2-CE1 3.08Å; R33-H37 PolarHBondContact NH2-NE2 3.45Å; R33-H37 VanDerWaalsContact NH2-NE2 3.12Å; R33-D152 IonicContact CZ-OD2 2.76Å; R33-D152 IonicContact NH1-OD2 3.53Å; R33-D152 PolarHBondContact NH2-O 2.95Å; R33-D152 VanDerWaalsContact NH2-O 3.07Å; R33-D152 IonicContact NH2-OD1 3.31Å; R33-D152 IonicContact NH2-OD2 3.22Å; R33-D152 PolarHBondContact NH2-OD2 3.4Å; R33-E157 WeakPolarHBondContact CA-OE1 3.21Å; R33-E157 WeakPolarHBondContact CD-OE1 3.48Å; R33-E157 IonicContact NE-OE1 3.43Å; R33-E157 PolarHBondContact NE-OE1 3.02Å; R33-E157 IonicContact NE-OE2 2.68Å; R33-I326 HydrophobicContact CG-CD1 4.1Å; R33-I326 VanDerWaalsContact CZ-CD1 3.48Å
34S93.8Very high84.9Confident12 Ų1261 Ų618%0.08431%0.31CS..  trans-56.5142.7173.3174.80000112.4L36 H37 E157 E199S34-L36 PolarHBondContact O-N 2.7Å; S34-L36 VanDerWaalsContact O-N 3.14Å; S34-L36 PolarHBondContact OG-N 3.17Å; S34-H37 WeakPolarHBondContact O-CB 3.43Å; S34-H37 PolarHBondContact O-CD2 3.17Å; S34-H37 VanDerWaalsContact O-CD2 3.3Å; S34-H37 PolarHBondContact O-N 2.97Å; S34-H37 VanDerWaalsContact O-N 3.07Å; S34-E157 PolarHBondContact N-OE1 3.14Å; S34-E199 WeakPolarHBondContact CB-OE1 3.07Å; S34-E199 PolarHBondContact OG-OE1 2.94Å
35Q91.1Very high85.7Confident118 Ų11855.8 Ų55.855%0.55129%0.292SS*.G310 helixtrans-60.2-25175.7-66.2-170.1-000112.9H37 H38 V211Q35-H37 PolarHBondContact O-N 3.14Å; Q35-H38 PolarHBondContact O-N 3.39Å; Q35-H38 VanDerWaalsContact O-N 3.14Å; Q35-V211 HydrophobicContact CB-CG2 4.35Å
36L93.5Very high87Confident0 Ų048.8 Ų48.80%025%0.254CS..G310 helixtrans-65.5-18.2177.9-63.4176000113.1S34 H38 W154 E199 P200 Q202 P213 F251 K294S34-L36 PolarHBondContact O-N 2.7Å; S34-L36 VanDerWaalsContact O-N 3.14Å; S34-L36 PolarHBondContact OG-N 3.17Å; L36-H38 VanDerWaalsContact C-N 3.29Å; L36-W154 HydrophobicContact CB-CD2 4.33Å; L36-W154 HydrophobicContact CB-CG 4.33Å; L36-W154 HydrophobicContact CB-CZ2 4.39Å; L36-W154 HydrophobicContact CD1-CD2 3.83Å; L36-W154 HydrophobicContact CD1-CE3 3.82Å; L36-W154 HydrophobicContact CD1-CG 4.26Å; L36-W154 HydrophobicContact CD1-CH2 4.22Å; L36-W154 HydrophobicContact CD1-CZ2 4.29Å; L36-W154 HydrophobicContact CD1-CZ3 4.02Å; L36-E199 HydrophobicContact CD1-CB 3.86Å; L36-E199 HydrophobicContact CD1-CG 3.85Å; L36-P200 HydrophobicContact CD1-CG 3.83Å; L36-P200 HydrophobicContact CD2-CG 4.22Å; L36-Q202 HydrophobicContact CD2-CG 4.21Å; L36-P213 HydrophobicContact CD2-CB 4.29Å; L36-P213 HydrophobicContact CD2-CG 3.88Å; L36-F251 HydrophobicContact CB-CE2 4.19Å; L36-F251 HydrophobicContact CB-CZ 4.19Å; L36-F251 HydrophobicContact CD1-CE2 4.39Å; L36-F251 HydrophobicContact CD2-CE2 3.88Å; L36-F251 HydrophobicContact CD2-CZ 4.17Å; L36-F251 HydrophobicContact CG-CE2 4.39Å; L36-K294 PolarHBondContact O-NZ 3.45Å
37H94.1Very high88.1Confident0 Ų041.6 Ų41.60%022%0.221CC..G310 helixtrans-67.1-34174-70.4-48.4000112.7R33 S34 Q35 V39 D152 W154 E157 K294 I326R33-H37 PolarHBondContact NE-CD2 2.82Å; R33-H37 PolarHBondContact NE-NE2 3Å; R33-H37 PolarHBondContact NH2-CD2 2.88Å; R33-H37 PolarHBondContact NH2-CE1 3.08Å; R33-H37 PolarHBondContact NH2-NE2 3.45Å; R33-H37 VanDerWaalsContact NH2-NE2 3.12Å; S34-H37 WeakPolarHBondContact O-CB 3.43Å; S34-H37 PolarHBondContact O-CD2 3.17Å; S34-H37 VanDerWaalsContact O-CD2 3.3Å; S34-H37 PolarHBondContact O-N 2.97Å; S34-H37 VanDerWaalsContact O-N 3.07Å; Q35-H37 PolarHBondContact O-N 3.14Å; H37-V39 VanDerWaalsContact C-N 3.35Å; H37-V39 PolarHBondContact O-N 3.13Å; H37-D152 PolarHBondContact CE1-O 2.91Å; H37-D152 IonicContact ND1-OD1 3.15Å; H37-D152 PolarHBondContact NE2-O 3.05Å; H37-W154 AromaticContact CE1-CD1 3.06Å; H37-W154 AromaticContact CE1-NE1 3.64Å; H37-W154 AromaticContact ND1-CD1 3.54Å; H37-W154 AromaticContact ND1-NE1 3.77Å; H37-W154 AromaticContact NE2-CD1 3.45Å; H37-E157 IonicContact CD2-OE1 2.85Å; H37-E157 PolarHBondContact CD2-OE1 3.4Å; H37-E157 IonicContact CD2-OE2 3.75Å; H37-E157 IonicContact CE1-OE2 3.65Å; H37-E157 VanDerWaalsContact NE2-CD 3.26Å; H37-E157 IonicContact NE2-OE1 3.83Å; H37-E157 PolarHBondContact NE2-OE1 3.3Å; H37-E157 IonicContact NE2-OE2 3.7Å; H37-E157 PolarHBondContact NE2-OE2 3.14Å; H37-K294 PolarHBondContact O-NZ 2.83Å; H37-I326 HydrophobicContact CB-CD1 4.22Å; H37-I326 HydrophobicContact CB-CG2 3.74Å
38H91Very high89.1Confident41 Ų4138.1 Ų38.119%0.1920%0.198CC..G310 helixtrans-85.4-2.7-171.4-56.9-90.8000113.6Q35 L36 L45 H46 E325Q35-H38 PolarHBondContact O-N 3.39Å; Q35-H38 VanDerWaalsContact O-N 3.14Å; L36-H38 VanDerWaalsContact C-N 3.29Å; H38-L45 HydrophobicContact CB-CD2 4.24Å; H38-L45 CarbonylContact O-C 3.55Å; H38-L45 VanDerWaalsContact O-CA 3.24Å; H38-L45 WeakPolarHBondContact O-CA 3.34Å; H38-H46 PolarHBondContact O-N 3.07Å; H38-E325 PolarHBondContact CE1-O 2.98Å
39V89.4Confident89.8Confident2 Ų231.4 Ų31.41%0.01217%0.169CC..BIsolated β-bridgetrans-128.5152.5-174.5-65.20000113H37 I44 L45 V211 P213 F251H37-V39 VanDerWaalsContact C-N 3.35Å; H37-V39 PolarHBondContact O-N 3.13Å; V39-I44 WeakPolarHBondContact CA-O 3.44Å; V39-L45 HydrophobicContact CG1-CD2 3.87Å; V39-V211 HydrophobicContact CG1-CG2 4.32Å; V39-V211 HydrophobicContact CG2-CG2 4.29Å; V39-P213 HydrophobicContact CG2-CG 4.17Å; V39-F251 HydrophobicContact CG2-CZ 4.44Å
40N86.5Confident90.1Very high29 Ų2926.3 Ų26.316%0.15514%0.135CC..  trans-90.9179.9164.173.912.2000111.8E42 G43 I44N40-E42 PolarHBondContact O-N 3.33Å; N40-E42 VanDerWaalsContact O-N 3.08Å; N40-E42 WeakPolarHBondContact OD1-CA 3.29Å; N40-E42 PolarHBondContact OD1-N 3.19Å; N40-G43 PolarHBondContact O-N 3.47Å; N40-G43 PolarHBondContact OD1-N 3.25Å; N40-I44 PolarHBondContact N-O 2.83Å; N40-I44 PolarHBondContact OD1-N 3.22Å
41V83Confident90Very high11 Ų1127.4 Ų27.47%0.06714%0.141CC..THydrogen-bonded Turntrans-59-20.8179.769.80000114.9V215 F251 Q254 M258V41-V215 HydrophobicContact CG2-CG2 4.15Å; V41-F251 HydrophobicContact CB-CD1 4.19Å; V41-F251 HydrophobicContact CG2-CB 4.28Å; V41-Q254 HydrophobicContact CG1-CG 4.24Å; V41-M258 HydrophobicContact CG1-CE 3.96Å
42E81.9Confident89.8Confident77 Ų7730.4 Ų30.436%0.3616%0.163SC..THydrogen-bonded Turntrans-93.85176.5-62.5-59.7167.100113.2N40 I44 K212N40-E42 PolarHBondContact O-N 3.33Å; N40-E42 VanDerWaalsContact O-N 3.08Å; N40-E42 WeakPolarHBondContact OD1-CA 3.29Å; N40-E42 PolarHBondContact OD1-N 3.19Å; E42-I44 VanDerWaalsContact C-N 3.28Å; E42-I44 HydrophobicContact CB-CD1 4.39Å; E42-I44 HydrophobicContact CB-CG1 4.25Å; E42-I44 PolarHBondContact O-N 2.86Å; E42-K212 IonicContact OE2-NZ 2.79Å; E42-K212 PolarHBondContact OE2-NZ 2.98Å
43G83.3Confident89.4Confident1 Ų128.8 Ų28.81%0.0116%0.156CC..  trans74.114.4-176.800000113.9N40 G210 V211N40-G43 PolarHBondContact O-N 3.47Å; N40-G43 PolarHBondContact OD1-N 3.25Å; G43-G210 WeakPolarHBondContact O-CA 3.47Å; G43-G210 PolarHBondContact O-N 2.93Å; G43-V211 WeakPolarHBondContact CA-O 3.2Å
44I83.7Confident89Confident27 Ų2730.7 Ų30.714%0.13819%0.185CC..PPolyproline II helixtrans-76.9131.5177-55.9175.5000108.5V39 N40 E42 I376V39-I44 WeakPolarHBondContact CA-O 3.44Å; N40-I44 PolarHBondContact N-O 2.83Å; N40-I44 PolarHBondContact OD1-N 3.22Å; E42-I44 VanDerWaalsContact C-N 3.28Å; E42-I44 HydrophobicContact CB-CD1 4.39Å; E42-I44 HydrophobicContact CB-CG1 4.25Å; E42-I44 PolarHBondContact O-N 2.86Å; I44-I376 HydrophobicContact CB-CG1 4.4Å; I44-I376 HydrophobicContact CG2-CG1 3.67Å
45L88.5Confident88.9Confident29 Ų2933 Ų3315%0.15220%0.199CC..BIsolated β-bridgetrans-70.1138.4-179.2-70.6166.7000111.6H38 V39 Y372H38-L45 HydrophobicContact CB-CD2 4.24Å; H38-L45 CarbonylContact O-C 3.55Å; H38-L45 VanDerWaalsContact O-CA 3.24Å; H38-L45 WeakPolarHBondContact O-CA 3.34Å; V39-L45 HydrophobicContact CG1-CD2 3.87Å; L45-Y372 HydrophobicContact CB-CD1 4.14Å; L45-Y372 HydrophobicContact CB-CE1 4.33Å; L45-Y372 HydrophobicContact CD1-CD1 4.34Å; L45-Y372 HydrophobicContact CD1-CE1 4.27Å
46H89.9Confident89Confident7 Ų730.2 Ų30.23%0.03219%0.192CC..PPolyproline II helixtrans-78.2148159.3-64.6-55.5000110H38 P48 P295 D327 Y372 I376H38-H46 PolarHBondContact O-N 3.07Å; H46-P48 WeakPolarHBondContact O-CD 3.49Å; H46-P295 WeakPolarHBondContact CE1-CG 3.37Å; H46-D327 HydrophobicContact CB-CB 3.4Å; H46-Y372 WeakPolarHBondContact O-CD1 3.41Å; H46-Y372 WeakPolarHBondContact O-CE1 3.5Å; H46-I376 WeakPolarHBondContact ND1-CD1 3.33Å
47E90Very high89Confident12 Ų1230.9 Ų30.96%0.05620%0.198CC..  trans-93.8116-176.8-63.316883.700109.5D327 H329 T330 K333 I368E47-D327 CarbonylContact O-C 3.58Å; E47-D327 VanDerWaalsContact O-CA 3.25Å; E47-D327 WeakPolarHBondContact O-CA 3.33Å; E47-H329 HydrophobicContact CB-CB 3.83Å; E47-H329 WeakPolarHBondContact O-CA 3.25Å; E47-H329 VanDerWaalsContact O-CB 3.27Å; E47-H329 WeakPolarHBondContact O-CB 3.27Å; E47-H329 PolarHBondContact O-N 2.95Å; E47-H329 IonicContact OE1-CD2 3.77Å; E47-H329 PolarHBondContact OE1-CD2 3.28Å; E47-H329 IonicContact OE1-NE2 3.37Å; E47-T330 PolarHBondContact N-OG1 3.49Å; E47-T330 PolarHBondContact O-N 3Å; E47-K333 IonicContact OE1-NZ 3.87Å; E47-K333 PolarHBondContact OE1-NZ 3.42Å; E47-K333 IonicContact OE2-NZ 2.96Å; E47-K333 PolarHBondContact OE2-NZ 2.94Å; E47-I368 HydrophobicContact CB-CD1 4.42Å
48P92.9Very high89Confident1 Ų133.2 Ų33.21%0.00621%0.21CC..  trans-78.3170.7172.734.9-37000111.1H46 I50 V51 S324 H329 I368 Y372H46-P48 WeakPolarHBondContact O-CD 3.49Å; P48-I50 WeakPolarHBondContact CB-O 3.47Å; P48-V51 HydrophobicContact CG-CG2 3.57Å; P48-S324 WeakPolarHBondContact CB-O 3.38Å; P48-H329 WeakPolarHBondContact O-CB 3.37Å; P48-I368 WeakPolarHBondContact O-CD1 3.14Å; P48-Y372 VanDerWaalsContact CD-CE1 3.4Å; P48-Y372 HydrophobicContact CG-CE1 4.08Å
49K93.1Very high89.3Confident14 Ų1436.3 Ų36.36%0.06123%0.227CC..SBendtrans-96.2-27.2165.2-69.9-75-173.41780112S324 L328 H329 D332 L362 L363K49-S324 PolarHBondContact N-O 3.22Å; K49-L328 HydrophobicContact CB-CB 4.41Å; K49-L328 HydrophobicContact CB-CD2 4.31Å; K49-L328 HydrophobicContact CG-CB 3.81Å; K49-L328 HydrophobicContact CG-CD2 3.87Å; K49-L328 HydrophobicContact CG-CG 3.78Å; K49-H329 HydrophobicContact CD-CB 3.96Å; K49-H329 HydrophobicContact CG-CB 4.24Å; K49-H329 PolarHBondContact NZ-ND1 3.16Å; K49-D332 IonicContact NZ-OD2 2.78Å; K49-D332 PolarHBondContact NZ-OD2 2.99Å; K49-L362 WeakPolarHBondContact CB-O 3.5Å; K49-L362 WeakPolarHBondContact CG-O 3.32Å; K49-L363 VanDerWaalsContact CE-O 3.27Å; K49-L363 WeakPolarHBondContact CE-O 3.42Å; K49-L363 PolarHBondContact NZ-O 3.1Å
50I93.1Very high89.6Confident10 Ų1037 Ų375%0.05123%0.23CC..  trans-115.6129.7177.1-60179.8000109P48 L81 T84 S324 E325 L362P48-I50 WeakPolarHBondContact CB-O 3.47Å; I50-L81 WeakPolarHBondContact CD1-O 3.45Å; I50-T84 HydrophobicContact CG2-CG2 3.94Å; I50-S324 PolarHBondContact N-O 3.24Å; I50-E325 HydrophobicContact CB-CG 4Å; I50-E325 HydrophobicContact CG2-CG 4.11Å; I50-L362 HydrophobicContact CD1-CD1 3.59Å; I50-L362 HydrophobicContact CG1-CD1 4.08Å
51V89.7Confident90.1Very high53 Ų5335.7 Ų35.732%0.32122%0.223SC..  trans-125.6146.7170.9-177.90000107.3P48 S53 Y372P48-V51 HydrophobicContact CG-CG2 3.57Å; V51-S53 PolarHBondContact O-N 3.48Å; V51-Y372 HydrophobicContact CG2-CE2 4.27Å
52S89Confident90.7Very high70 Ų7041.2 Ų41.249%0.4924%0.243SC..  trans-57.4132.3176177.70000110.7G54 E87S52-G54 VanDerWaalsContact C-N 3.28Å; S52-G54 PolarHBondContact O-N 3.01Å; S52-G54 PolarHBondContact OG-N 3.42Å; S52-E87 WeakPolarHBondContact CA-OE1 3.29Å; S52-E87 PolarHBondContact OG-OE1 3.25Å
53S85Confident91.3Very high61 Ų6143.4 Ų43.443%0.42725%0.252SS..  trans-77.8-12.7179.362.10000113.7V51 T55 K60 E87V51-S53 PolarHBondContact O-N 3.48Å; S53-T55 PolarHBondContact O-N 3.31Å; S53-T55 PolarHBondContact OG-N 3.38Å; S53-K60 WeakPolarHBondContact OG-CE 3.47Å; S53-K60 PolarHBondContact OG-NZ 3.38Å; S53-K60 VanDerWaalsContact OG-NZ 3.15Å; S53-E87 PolarHBondContact N-OE1 2.92Å; S53-E87 PolarHBondContact OG-OE1 3.2Å; S53-E87 VanDerWaalsContact OG-OE1 3.04Å
54G87.4Confident91.9Very high70 Ų7043.3 Ų43.372%0.72225%0.251SS*.  trans63.1-0.6-168.400000114.8S52S52-G54 VanDerWaalsContact C-N 3.28Å; S52-G54 PolarHBondContact O-N 3.01Å; S52-G54 PolarHBondContact OG-N 3.42Å
55T90.3Very high92.4Very high61 Ų6143.3 Ų43.337%0.37426%0.257SS..  trans-77.7127.2-179.9-59.80000109.7S53 I59 K60S53-T55 PolarHBondContact O-N 3.31Å; S53-T55 PolarHBondContact OG-N 3.38Å; T55-I59 HydrophobicContact CG2-CB 4.08Å; T55-I59 HydrophobicContact CG2-CG2 4.04Å; T55-K60 HydrophobicContact CG2-CG 4.11Å
56S93.4Very high92.7Very high58 Ų5848.6 Ų48.641%0.40629%0.286SS..  trans-54.9140.4178.2174.70000112.1D58 I59 K60S56-D58 PolarHBondContact O-N 2.83Å; S56-D58 PolarHBondContact OG-N 2.92Å; S56-I59 PolarHBondContact O-N 3.14Å; S56-I59 VanDerWaalsContact O-N 3.16Å; S56-K60 PolarHBondContact O-N 3.13Å
57A94Very high92.9Very high15 Ų1549.6 Ų49.612%0.12429%0.292CS..Hα-helixtrans-56-36.6175.400000111.9I59 K60 V61 N90 I91 Q94A57-I59 VanDerWaalsContact C-N 3.34Å; A57-I59 PolarHBondContact O-N 3.14Å; A57-K60 PolarHBondContact O-N 3.14Å; A57-V61 VanDerWaalsContact O-CG2 3.31Å; A57-V61 WeakPolarHBondContact O-CG2 3.15Å; A57-V61 PolarHBondContact O-N 3.32Å; A57-N90 HydrophobicContact CB-CB 4.04Å; A57-I91 HydrophobicContact CB-CG1 4.08Å; A57-Q94 HydrophobicContact CB-CB 4.2Å; A57-Q94 HydrophobicContact CB-CG 3.65Å
58D94.7Very high93.1Very high48 Ų4853.1 Ų53.126%0.25732%0.315SS..Hα-helixtrans-59.1-44.6178.4-61.6-18.7000111.4S56 K60 V61 Y62 Q94 R97 I98S56-D58 PolarHBondContact O-N 2.83Å; S56-D58 PolarHBondContact OG-N 2.92Å; D58-K60 PolarHBondContact O-N 2.91Å; D58-V61 PolarHBondContact O-N 3.26Å; D58-Y62 HydrophobicContact CB-CD2 4.48Å; D58-Y62 HydrophobicContact CB-CE2 4.26Å; D58-Y62 WeakPolarHBondContact O-CD2 3.29Å; D58-Y62 PolarHBondContact O-N 3.46Å; D58-Q94 WeakPolarHBondContact OD1-CG 3.41Å; D58-Q94 PolarHBondContact OD1-OE1 3.1Å; D58-R97 IonicContact OD1-NH2 3.62Å; D58-R97 PolarHBondContact OD1-NH2 3.46Å; D58-R97 IonicContact OD2-NH2 3.03Å; D58-I98 HydrophobicContact CB-CD1 4.08Å
59I96.1Very high92.9Very high106 Ų10662.3 Ų62.354%0.54436%0.355SS..Hα-helixtrans-63.5-43.7179.4-63173.7000110.3T55 S56 A57 V61 Y62 K63T55-I59 HydrophobicContact CG2-CB 4.08Å; T55-I59 HydrophobicContact CG2-CG2 4.04Å; S56-I59 PolarHBondContact O-N 3.14Å; S56-I59 VanDerWaalsContact O-N 3.16Å; A57-I59 VanDerWaalsContact C-N 3.34Å; A57-I59 PolarHBondContact O-N 3.14Å; I59-V61 VanDerWaalsContact C-N 3.34Å; I59-V61 PolarHBondContact O-N 3.06Å; I59-Y62 PolarHBondContact O-N 3.3Å; I59-K63 PolarHBondContact O-N 2.03Å
60K96.4Very high92.7Very high18 Ų1866 Ų668%0.07839%0.388CS..Hα-helixtrans-61.2-43.5176.3-69.6-179.1176.6-174.10110.9S53 T55 S56 A57 D58 K63 M64 V79 S83 E87 I91S53-K60 WeakPolarHBondContact OG-CE 3.47Å; S53-K60 PolarHBondContact OG-NZ 3.38Å; S53-K60 VanDerWaalsContact OG-NZ 3.15Å; T55-K60 HydrophobicContact CG2-CG 4.11Å; S56-K60 PolarHBondContact O-N 3.13Å; A57-K60 PolarHBondContact O-N 3.14Å; D58-K60 PolarHBondContact O-N 2.91Å; K60-K63 WeakPolarHBondContact O-CB 3.48Å; K60-K63 PolarHBondContact O-N 3.09Å; K60-M64 WeakPolarHBondContact O-CG 3.01Å; K60-M64 PolarHBondContact O-N 3.4Å; K60-V79 HydrophobicContact CB-CG1 4.16Å; K60-V79 HydrophobicContact CD-CG1 3.81Å; K60-V79 HydrophobicContact CG-CG1 4.2Å; K60-S83 PolarHBondContact NZ-OG 3.32Å; K60-E87 IonicContact NZ-OE1 3.12Å; K60-E87 IonicContact NZ-OE2 3.04Å; K60-I91 HydrophobicContact CB-CG1 4.41Å; K60-I91 HydrophobicContact CD-CD1 3.64Å; K60-I91 HydrophobicContact CD-CG1 4.15Å
61V96.5Very high92.7Very high0 Ų070.4 Ų70.40%041%0.408CS..Hα-helixtrans-66-44.3178.3170.50000111.9A57 D58 I59 K63 M64 G65 I91 Q94 Y95 I98 L99A57-V61 VanDerWaalsContact O-CG2 3.31Å; A57-V61 WeakPolarHBondContact O-CG2 3.15Å; A57-V61 PolarHBondContact O-N 3.32Å; D58-V61 PolarHBondContact O-N 3.26Å; I59-V61 VanDerWaalsContact C-N 3.34Å; I59-V61 PolarHBondContact O-N 3.06Å; V61-K63 VanDerWaalsContact C-N 3.28Å; V61-K63 PolarHBondContact O-N 3.01Å; V61-M64 WeakPolarHBondContact O-CB 3.01Å; V61-M64 PolarHBondContact O-N 3.08Å; V61-G65 PolarHBondContact O-N 3.42Å; V61-I91 HydrophobicContact CG2-CG2 4.2Å; V61-Q94 HydrophobicContact CG2-CB 3.81Å; V61-Y95 HydrophobicContact CG1-CD2 4.13Å; V61-Y95 HydrophobicContact CG2-CD2 4.34Å; V61-I98 HydrophobicContact CB-CD1 4.13Å; V61-I98 HydrophobicContact CG1-CB 3.96Å; V61-I98 HydrophobicContact CG1-CD1 3.87Å; V61-I98 HydrophobicContact CG1-CG1 4.46Å; V61-I98 HydrophobicContact CG1-CG2 4.15Å; V61-L99 HydrophobicContact CG1-CD1 4.16Å; V61-L99 HydrophobicContact CG1-CG 4.14Å
62Y96Very high92.8Very high127 Ų12769 Ų6950%0.49840%0.398SS..Hα-helixtrans-60-39.7174.8-75.1-58.5000112D58 I59 G65 N66 I98D58-Y62 HydrophobicContact CB-CD2 4.48Å; D58-Y62 HydrophobicContact CB-CE2 4.26Å; D58-Y62 WeakPolarHBondContact O-CD2 3.29Å; D58-Y62 PolarHBondContact O-N 3.46Å; I59-Y62 PolarHBondContact O-N 3.3Å; Y62-G65 PolarHBondContact O-N 2.83Å; Y62-N66 VanDerWaalsContact O-CB 3.31Å; Y62-N66 WeakPolarHBondContact O-CB 3.33Å; Y62-N66 VanDerWaalsContact O-CG 3.29Å; Y62-N66 PolarHBondContact O-N 2.55Å; Y62-N66 PolarHBondContact O-ND2 2.99Å; Y62-I98 HydrophobicContact CD1-CG2 4.15Å; Y62-I98 HydrophobicContact CE1-CG2 3.64Å; Y62-I98 HydrophobicContact CE2-CD1 4.24Å
63K95.1Very high93Very high123 Ų12367.7 Ų67.754%0.53539%0.387SS..Hα-helixtrans-61.7-44175-171.9179.9180-1760111.7I59 K60 V61 T67 M75I59-K63 PolarHBondContact O-N 2.03Å; K60-K63 WeakPolarHBondContact O-CB 3.48Å; K60-K63 PolarHBondContact O-N 3.09Å; V61-K63 VanDerWaalsContact C-N 3.28Å; V61-K63 PolarHBondContact O-N 3.01Å; K63-T67 PolarHBondContact O-N 2.84Å; K63-T67 PolarHBondContact O-OG1 3.27Å; K63-M75 HydrophobicContact CD-SD 4.02Å; K63-M75 HydrophobicContact CG-CE 4.44Å; K63-M75 HydrophobicContact CG-SD 4.1Å
64M96Very high93.4Very high0 Ų070.1 Ų70.10%039%0.392CS..Hα-helixtrans-63.2-46.1175.1-66.6165.518000112.1K60 V61 N66 T67 Q72 M75 I76 V79 I91 Y95K60-M64 WeakPolarHBondContact O-CG 3.01Å; K60-M64 PolarHBondContact O-N 3.4Å; V61-M64 WeakPolarHBondContact O-CB 3.01Å; V61-M64 PolarHBondContact O-N 3.08Å; M64-N66 PolarHBondContact O-N 2.86Å; M64-T67 PolarHBondContact O-N 2.99Å; M64-Q72 PolarHBondContact O-NE2 3.42Å; M64-M75 HydrophobicContact CG-CG 4.29Å; M64-I76 HydrophobicContact CB-CG1 4.18Å; M64-I76 HydrophobicContact CG-CG1 3.96Å; M64-I76 HydrophobicContact SD-CG1 4.13Å; M64-V79 HydrophobicContact CE-CB 3.34Å; M64-V79 HydrophobicContact CE-CG1 3.3Å; M64-V79 HydrophobicContact CE-CG2 3.87Å; M64-I91 HydrophobicContact CE-CG2 4Å; M64-I91 HydrophobicContact SD-CG2 4.3Å; M64-Y95 HydrophobicContact CB-CE2 4.27Å; M64-Y95 HydrophobicContact SD-CD2 4.14Å; M64-Y95 HydrophobicContact SD-CE2 4.23Å
65G92.9Very high93.7Very high26 Ų2668.7 Ų68.727%0.26837%0.367SS..Hα-helixtrans-66.6-34.2-177.800000113.7V61 Y62V61-G65 PolarHBondContact O-N 3.42Å; Y62-G65 PolarHBondContact O-N 2.83Å
66N94.2Very high94Very high140 Ų14065.9 Ų65.975%0.74935%0.349SS*.Hα-helixtrans-84.9-7.6178.6-69.3-17.2000113.7Y62 M64Y62-N66 VanDerWaalsContact O-CB 3.31Å; Y62-N66 WeakPolarHBondContact O-CB 3.33Å; Y62-N66 VanDerWaalsContact O-CG 3.29Å; Y62-N66 PolarHBondContact O-N 2.55Å; Y62-N66 PolarHBondContact O-ND2 2.99Å; M64-N66 PolarHBondContact O-N 2.86Å
67T95.5Very high94.1Very high28 Ų2863.6 Ų63.617%0.17233%0.332CS..SBendtrans-71.9138.2177.2-63.40000110.1K63 M64 H71 M75K63-T67 PolarHBondContact O-N 2.84Å; K63-T67 PolarHBondContact O-OG1 3.27Å; M64-T67 PolarHBondContact O-N 2.99Å; T67-H71 HydrophobicContact CG2-CB 3.82Å; T67-M75 HydrophobicContact CG2-CB 4.02Å
68T92.6Very high94.1Very high87 Ų8765.2 Ų65.253%0.53434%0.339SS..  trans-55.7144.4177.464.60000111.3A70 H71 Q72T68-A70 PolarHBondContact O-N 3.25Å; T68-H71 PolarHBondContact O-N 3.14Å; T68-H71 PolarHBondContact OG1-ND1 2.89Å; T68-H71 VanDerWaalsContact OG1-ND1 3.15Å; T68-Q72 PolarHBondContact O-N 3.15Å
69K89.5Confident94.1Very high193 Ų19363.6 Ų63.684%0.83933%0.33SS*.G310 helixtrans-49.6-36.2-178.7-69.9-173.1177.3-175.30113.5H71K69-H71 VanDerWaalsContact C-N 3.28Å; K69-H71 PolarHBondContact O-N 2.67Å
70A89Confident94.1Very high91 Ų9158.5 Ų58.575%0.75231%0.305SS*.G310 helixtrans-64.6-26.3179.700000114.4T68T68-A70 PolarHBondContact O-N 3.25Å
71H92.6Very high94.1Very high103 Ų10358.1 Ų58.148%0.47730%0.303SS..G310 helixtrans-117.52.3-176.3-59.689.1000112.9T67 T68 K69 E74 M75T67-H71 HydrophobicContact CG2-CB 3.82Å; T68-H71 PolarHBondContact O-N 3.14Å; T68-H71 PolarHBondContact OG1-ND1 2.89Å; T68-H71 VanDerWaalsContact OG1-ND1 3.15Å; K69-H71 VanDerWaalsContact C-N 3.28Å; K69-H71 PolarHBondContact O-N 2.67Å; H71-E74 PolarHBondContact O-N 3.41Å; H71-M75 PolarHBondContact O-N 3.14Å
72Q92.7Very high93.9Very high25 Ų2559.7 Ų59.712%0.11731%0.314CS..Hα-helixtrans-64.8-44.8-172.6-177.4163.852.300111.9M64 T68 E74 M75 I76M64-Q72 PolarHBondContact O-NE2 3.42Å; T68-Q72 PolarHBondContact O-N 3.15Å; Q72-E74 VanDerWaalsContact C-N 3.34Å; Q72-E74 PolarHBondContact O-N 3.01Å; Q72-M75 PolarHBondContact O-N 3.42Å; Q72-I76 HydrophobicContact CG-CD1 3.85Å; Q72-I76 VanDerWaalsContact O-CG1 3.31Å; Q72-I76 WeakPolarHBondContact O-CG1 3.39Å; Q72-I76 PolarHBondContact O-N 3.07Å
73T92.4Very high93.9Very high41 Ų4153.7 Ų53.725%0.25229%0.291SS..Hα-helixtrans-58.9-45.4176.3-50.50000111.7M75 I76 M77 N109 I110T73-M75 PolarHBondContact O-N 3.39Å; T73-I76 PolarHBondContact O-N 3.07Å; T73-M77 WeakPolarHBondContact O-CG 3.32Å; T73-M77 PolarHBondContact O-N 3.27Å; T73-N109 VanDerWaalsContact OG1-CB 3.3Å; T73-N109 WeakPolarHBondContact OG1-CB 3.28Å; T73-I110 HydrophobicContact CG2-CG1 4.01Å
74E93Very high93.9Very high113 Ų11348.6 Ų48.653%0.52827%0.27SS..Hα-helixtrans-62-44.1178-163.8-158.6146.500111.2H71 Q72 I76 M77 N78H71-E74 PolarHBondContact O-N 3.41Å; Q72-E74 VanDerWaalsContact C-N 3.34Å; Q72-E74 PolarHBondContact O-N 3.01Å; E74-I76 PolarHBondContact O-N 3.28Å; E74-M77 PolarHBondContact O-N 2.96Å; E74-N78 WeakPolarHBondContact O-CB 3.12Å; E74-N78 PolarHBondContact O-N 2.71Å; E74-N78 PolarHBondContact O-ND2 3.47Å; E74-N78 PolarHBondContact OE1-ND2 2.93Å
75M95.4Very high93.9Very high40 Ų4048.8 Ų48.820%0.19727%0.271CS..Hα-helixtrans-60.7-45.7176.1-179.161.764.300112.1K63 M64 T67 H71 Q72 T73 N78 V79K63-M75 HydrophobicContact CD-SD 4.02Å; K63-M75 HydrophobicContact CG-CE 4.44Å; K63-M75 HydrophobicContact CG-SD 4.1Å; M64-M75 HydrophobicContact CG-CG 4.29Å; T67-M75 HydrophobicContact CG2-CB 4.02Å; H71-M75 PolarHBondContact O-N 3.14Å; Q72-M75 PolarHBondContact O-N 3.42Å; T73-M75 PolarHBondContact O-N 3.39Å; M75-N78 PolarHBondContact O-N 3.46Å; M75-V79 WeakPolarHBondContact O-CG2 3.43Å; M75-V79 PolarHBondContact O-N 2.91Å; M75-V79 HydrophobicContact SD-CG2 4.22Å
76I95.9Very high94Very high2 Ų248.8 Ų48.81%0.0127%0.269CS..Hα-helixtrans-60.1-53.6178.7-70.6163000109.7M64 Q72 T73 E74 N78 V79 L80 L103 E106 F119M64-I76 HydrophobicContact CB-CG1 4.18Å; M64-I76 HydrophobicContact CG-CG1 3.96Å; M64-I76 HydrophobicContact SD-CG1 4.13Å; Q72-I76 HydrophobicContact CG-CD1 3.85Å; Q72-I76 VanDerWaalsContact O-CG1 3.31Å; Q72-I76 WeakPolarHBondContact O-CG1 3.39Å; Q72-I76 PolarHBondContact O-N 3.07Å; T73-I76 PolarHBondContact O-N 3.07Å; E74-I76 PolarHBondContact O-N 3.28Å; I76-N78 VanDerWaalsContact C-N 3.28Å; I76-N78 PolarHBondContact O-N 2.96Å; I76-V79 PolarHBondContact O-N 3.07Å; I76-L80 HydrophobicContact CG2-CD1 3.79Å; I76-L80 HydrophobicContact CG2-CG 4.3Å; I76-L80 WeakPolarHBondContact O-CG 3.47Å; I76-L80 PolarHBondContact O-N 2.95Å; I76-L103 HydrophobicContact CD1-CD1 4.36Å; I76-L103 HydrophobicContact CG2-CD1 4.07Å; I76-E106 HydrophobicContact CD1-CB 4.1Å; I76-E106 HydrophobicContact CD1-CG 3.74Å; I76-F119 HydrophobicContact CG2-CE2 3.76Å
77M95Very high94Very high10 Ų1043 Ų435%0.04924%0.237CC..Hα-helixtrans-57.9-42.8178.2-70.2-55.8-62.200111.6T73 E74 V79 L80 L81 M115 L118 F119 L122T73-M77 WeakPolarHBondContact O-CG 3.32Å; T73-M77 PolarHBondContact O-N 3.27Å; E74-M77 PolarHBondContact O-N 2.96Å; M77-V79 VanDerWaalsContact C-N 3.31Å; M77-V79 PolarHBondContact O-N 3.01Å; M77-L80 PolarHBondContact O-N 3.06Å; M77-L81 HydrophobicContact CE-CD1 4.45Å; M77-L81 WeakPolarHBondContact O-CB 3.43Å; M77-L81 VanDerWaalsContact O-CG 3.31Å; M77-L81 WeakPolarHBondContact O-CG 3.41Å; M77-L81 PolarHBondContact O-N 2.82Å; M77-M115 HydrophobicContact CE-CE 3.99Å; M77-M115 HydrophobicContact CG-CE 4.49Å; M77-L118 HydrophobicContact CE-CD2 4.13Å; M77-L118 HydrophobicContact CE-CG 4.17Å; M77-F119 HydrophobicContact SD-CB 4.05Å; M77-F119 HydrophobicContact SD-CD2 3.59Å; M77-F119 VanDerWaalsContact SD-CD2 3.59Å; M77-F119 HydrophobicContact SD-CE2 4.49Å; M77-F119 HydrophobicContact SD-CG 4.24Å; M77-L122 HydrophobicContact CE-CD1 3.78Å
78N93.9Very high94.1Very high48 Ų4841.8 Ų41.826%0.25723%0.23SC..Hα-helixtrans-60.9-39.5-179.8-81.8-27.7000112.9E74 M75 I76 S82 K361E74-N78 WeakPolarHBondContact O-CB 3.12Å; E74-N78 PolarHBondContact O-N 2.71Å; E74-N78 PolarHBondContact O-ND2 3.47Å; E74-N78 PolarHBondContact OE1-ND2 2.93Å; M75-N78 PolarHBondContact O-N 3.46Å; I76-N78 VanDerWaalsContact C-N 3.28Å; I76-N78 PolarHBondContact O-N 2.96Å; N78-S82 PolarHBondContact O-OG 2.86Å; N78-K361 VanDerWaalsContact CA-NZ 3.34Å; N78-K361 VanDerWaalsContact CG-NZ 3.26Å; N78-K361 PolarHBondContact O-NZ 3.06Å; N78-K361 PolarHBondContact OD1-NZ 3.38Å
79V95.4Very high94.1Very high14 Ų1439.2 Ų39.29%0.08521%0.211CC..Hα-helixtrans-75.5-40.9177.5172.20000111.4K60 M64 M75 I76 M77 S82 S83 I91K60-V79 HydrophobicContact CB-CG1 4.16Å; K60-V79 HydrophobicContact CD-CG1 3.81Å; K60-V79 HydrophobicContact CG-CG1 4.2Å; M64-V79 HydrophobicContact CE-CB 3.34Å; M64-V79 HydrophobicContact CE-CG1 3.3Å; M64-V79 HydrophobicContact CE-CG2 3.87Å; M75-V79 WeakPolarHBondContact O-CG2 3.43Å; M75-V79 PolarHBondContact O-N 2.91Å; M75-V79 HydrophobicContact SD-CG2 4.22Å; I76-V79 PolarHBondContact O-N 3.07Å; M77-V79 VanDerWaalsContact C-N 3.31Å; M77-V79 PolarHBondContact O-N 3.01Å; V79-S82 PolarHBondContact O-N 2.7Å; V79-S82 PolarHBondContact O-OG 3.36Å; V79-S83 VanDerWaalsContact O-CB 3.27Å; V79-S83 WeakPolarHBondContact O-CB 3.47Å; V79-S83 PolarHBondContact O-N 2.95Å; V79-S83 VanDerWaalsContact O-N 3.14Å; V79-S83 PolarHBondContact O-OG 3.05Å; V79-I91 HydrophobicContact CG1-CD1 3.97Å
80L96.2Very high94.3Very high0 Ų033.2 Ų33.20%019%0.189CC..Hα-helixtrans-64.1-43.4179-66.9177.2000111.2I76 M77 S82 S83 R88 I91 L103 F119 L122 L123I76-L80 HydrophobicContact CG2-CD1 3.79Å; I76-L80 HydrophobicContact CG2-CG 4.3Å; I76-L80 WeakPolarHBondContact O-CG 3.47Å; I76-L80 PolarHBondContact O-N 2.95Å; M77-L80 PolarHBondContact O-N 3.06Å; L80-S82 PolarHBondContact O-N 3.2Å; L80-S83 PolarHBondContact O-N 3.36Å; L80-R88 HydrophobicContact CD2-CB 4.38Å; L80-R88 HydrophobicContact CD2-CG 4.02Å; L80-R88 WeakPolarHBondContact O-CD 3.39Å; L80-I91 HydrophobicContact CD2-CG2 4.49Å; L80-L103 HydrophobicContact CD2-CD2 4.45Å; L80-F119 HydrophobicContact CD1-CD2 3.83Å; L80-F119 HydrophobicContact CD1-CE2 3.64Å; L80-L122 HydrophobicContact CB-CB 4.32Å; L80-L122 HydrophobicContact CB-CD1 4.1Å; L80-L122 HydrophobicContact CD1-CB 4.48Å; L80-L123 HydrophobicContact CD1-CD2 3.71Å; L80-L123 HydrophobicContact CD2-CD2 4.04Å
81L95.3Very high94.6Very high9 Ų929 Ų295%0.04715%0.153CC..THydrogen-bonded Turntrans-66.9-16.3179-74.2165.7000114.5I50 M77 L118 L122 A358 K361I50-L81 WeakPolarHBondContact CD1-O 3.45Å; M77-L81 HydrophobicContact CE-CD1 4.45Å; M77-L81 WeakPolarHBondContact O-CB 3.43Å; M77-L81 VanDerWaalsContact O-CG 3.31Å; M77-L81 WeakPolarHBondContact O-CG 3.41Å; M77-L81 PolarHBondContact O-N 2.82Å; L81-L118 HydrophobicContact CD2-CD2 4.5Å; L81-L122 HydrophobicContact CD2-CD1 3.82Å; L81-L122 HydrophobicContact CD2-CD2 4.29Å; L81-L122 HydrophobicContact CG-CD1 3.97Å; L81-A358 HydrophobicContact CD1-CB 3.92Å; L81-K361 HydrophobicContact CD1-CD 4.29Å
82S93.5Very high94.7Very high34 Ų3424.2 Ų24.224%0.23813%0.131CC..THydrogen-bonded Turntrans-1129.3176.366.10000113.4N78 V79 L80N78-S82 PolarHBondContact O-OG 2.86Å; V79-S82 PolarHBondContact O-N 2.7Å; V79-S82 PolarHBondContact O-OG 3.36Å; L80-S82 PolarHBondContact O-N 3.2Å
83S95.1Very high94.6Very high0 Ų024.6 Ų24.60%013%0.133CC..SBendtrans-109.8140.8178.5-63.60000110.4K60 V79 L80 E87 R88K60-S83 PolarHBondContact NZ-OG 3.32Å; V79-S83 VanDerWaalsContact O-CB 3.27Å; V79-S83 WeakPolarHBondContact O-CB 3.47Å; V79-S83 PolarHBondContact O-N 2.95Å; V79-S83 VanDerWaalsContact O-N 3.14Å; V79-S83 PolarHBondContact O-OG 3.05Å; L80-S83 PolarHBondContact O-N 3.36Å; S83-E87 WeakPolarHBondContact CA-OE2 3.49Å; S83-R88 PolarHBondContact O-NH1 3.31Å
84T95.4Very high94.6Very high17 Ų1723.7 Ų23.710%0.10413%0.126CC..  trans-62.9162171.657.40000112I50 A86 E87 R88 E325I50-T84 HydrophobicContact CG2-CG2 3.94Å; T84-A86 VanDerWaalsContact C-N 3.27Å; T84-A86 PolarHBondContact O-N 3.09Å; T84-E87 PolarHBondContact N-OE2 3.04Å; T84-E87 CarbonylContact O-C 3.57Å; T84-E87 WeakPolarHBondContact O-CB 3.41Å; T84-E87 PolarHBondContact O-N 3.22Å; T84-E87 WeakPolarHBondContact OG1-CB 3.27Å; T84-E87 WeakPolarHBondContact OG1-CG 3.2Å; T84-E87 PolarHBondContact OG1-N 3.07Å; T84-E87 PolarHBondContact OG1-OE2 3.35Å; T84-R88 WeakPolarHBondContact O-CG 3.48Å; T84-R88 PolarHBondContact O-N 2.55Å; T84-E325 WeakPolarHBondContact CA-OE1 3.49Å; T84-E325 VanDerWaalsContact CA-OE2 3.32Å; T84-E325 WeakPolarHBondContact CA-OE2 3.38Å; T84-E325 WeakPolarHBondContact CB-OE2 3.48Å; T84-E325 HydrophobicContact CG2-CG 4.23Å
85N96Very high94.7Very high3 Ų318.3 Ų18.32%0.01610%0.101CC..Hα-helixtrans-52.5-48.8176.5178.165.6000110.8F31 E87 R88 Q89 D125 T126 E325F31-N85 PolarHBondContact O-ND2 3.35Å; N85-E87 VanDerWaalsContact C-N 3.33Å; N85-E87 PolarHBondContact O-N 3.45Å; N85-R88 PolarHBondContact O-N 3.39Å; N85-R88 VanDerWaalsContact O-N 3.09Å; N85-Q89 WeakPolarHBondContact O-CG 3.3Å; N85-Q89 PolarHBondContact O-N 3.23Å; N85-D125 PolarHBondContact ND2-OD2 2.83Å; N85-T126 WeakPolarHBondContact CB-OG1 3.41Å; N85-T126 PolarHBondContact OD1-N 3.36Å; N85-T126 VanDerWaalsContact OD1-N 3.14Å; N85-T126 PolarHBondContact OD1-OG1 3.22Å; N85-T126 VanDerWaalsContact OD1-OG1 3.1Å; N85-E325 PolarHBondContact N-OE1 3.01Å; N85-E325 PolarHBondContact N-OE2 3.34Å
86A94.6Very high94.5Very high27 Ų2718.5 Ų18.522%0.22310%0.102CC..Hα-helixtrans-59.8-41.217800000112.6P30 T84 N90P30-A86 HydrophobicContact CB-CB 4.09Å; P30-A86 HydrophobicContact CG-CB 3.63Å; T84-A86 VanDerWaalsContact C-N 3.27Å; T84-A86 PolarHBondContact O-N 3.09Å; A86-N90 WeakPolarHBondContact O-CB 3.24Å; A86-N90 PolarHBondContact O-N 3.5Å; A86-N90 VanDerWaalsContact O-N 3.14Å; A86-N90 PolarHBondContact O-ND2 3.42Å
87E95.5Very high94.3Very high19 Ų1924.2 Ų24.29%0.08912%0.124CC..Hα-helixtrans-66.1-40.7173.5-73.8168.6145.500111.8S52 S53 K60 S83 T84 N85 N90 I91S52-E87 WeakPolarHBondContact CA-OE1 3.29Å; S52-E87 PolarHBondContact OG-OE1 3.25Å; S53-E87 PolarHBondContact N-OE1 2.92Å; S53-E87 PolarHBondContact OG-OE1 3.2Å; S53-E87 VanDerWaalsContact OG-OE1 3.04Å; K60-E87 IonicContact NZ-OE1 3.12Å; K60-E87 IonicContact NZ-OE2 3.04Å; S83-E87 WeakPolarHBondContact CA-OE2 3.49Å; T84-E87 PolarHBondContact N-OE2 3.04Å; T84-E87 CarbonylContact O-C 3.57Å; T84-E87 WeakPolarHBondContact O-CB 3.41Å; T84-E87 PolarHBondContact O-N 3.22Å; T84-E87 WeakPolarHBondContact OG1-CB 3.27Å; T84-E87 WeakPolarHBondContact OG1-CG 3.2Å; T84-E87 PolarHBondContact OG1-N 3.07Å; T84-E87 PolarHBondContact OG1-OE2 3.35Å; N85-E87 VanDerWaalsContact C-N 3.33Å; N85-E87 PolarHBondContact O-N 3.45Å; E87-N90 PolarHBondContact O-N 2.97Å; E87-I91 WeakPolarHBondContact O-CB 3.13Å; E87-I91 WeakPolarHBondContact O-CD1 3.35Å; E87-I91 WeakPolarHBondContact O-CG1 3.16Å; E87-I91 PolarHBondContact O-N 2.85Å
88R96Very high94.2Very high2 Ų225.7 Ų25.71%0.00813%0.132CC..Hα-helixtrans-62.8-44.7178.3-66.5-171.7-50.7-93.73.9111.7L80 S83 T84 N85 N90 I91 M92 L122 E325L80-R88 HydrophobicContact CD2-CB 4.38Å; L80-R88 HydrophobicContact CD2-CG 4.02Å; L80-R88 WeakPolarHBondContact O-CD 3.39Å; S83-R88 PolarHBondContact O-NH1 3.31Å; T84-R88 WeakPolarHBondContact O-CG 3.48Å; T84-R88 PolarHBondContact O-N 2.55Å; N85-R88 PolarHBondContact O-N 3.39Å; N85-R88 VanDerWaalsContact O-N 3.09Å; R88-N90 VanDerWaalsContact C-N 3.35Å; R88-N90 PolarHBondContact O-N 2.88Å; R88-I91 PolarHBondContact O-N 3.45Å; R88-M92 WeakPolarHBondContact O-CG 3.49Å; R88-M92 PolarHBondContact O-N 3.19Å; R88-L122 WeakPolarHBondContact CD-O 3.37Å; R88-L122 PolarHBondContact NE-O 3.18Å; R88-E325 IonicContact CZ-OE1 2.72Å; R88-E325 IonicContact NH1-OE1 3.01Å; R88-E325 PolarHBondContact NH1-OE1 3.34Å; R88-E325 IonicContact NH2-OE1 2.7Å
89Q94.5Very high94.2Very high32 Ų3226 Ų2615%0.1513%0.133CC..Hα-helixtrans-60.9-43.5175.4-63.9-46.6-55.400111.7P30 N85 M92 H93 L123 D125P30-Q89 HydrophobicContact CB-CB 3.97Å; P30-Q89 HydrophobicContact CB-CG 3.85Å; N85-Q89 WeakPolarHBondContact O-CG 3.3Å; N85-Q89 PolarHBondContact O-N 3.23Å; Q89-M92 PolarHBondContact O-N 2.87Å; Q89-H93 PolarHBondContact O-N 3.47Å; Q89-L123 PolarHBondContact NE2-O 3.35Å; Q89-D125 HydrophobicContact CG-CB 4.34Å
90N93.4Very high94Very high68 Ų6833 Ų3336%0.36416%0.163SC..Hα-helixtrans-64.6-41.9175.1-75.6-45.5000112.4A57 A86 E87 R88 M92 H93 Q94A57-N90 HydrophobicContact CB-CB 4.04Å; A86-N90 WeakPolarHBondContact O-CB 3.24Å; A86-N90 PolarHBondContact O-N 3.5Å; A86-N90 VanDerWaalsContact O-N 3.14Å; A86-N90 PolarHBondContact O-ND2 3.42Å; E87-N90 PolarHBondContact O-N 2.97Å; R88-N90 VanDerWaalsContact C-N 3.35Å; R88-N90 PolarHBondContact O-N 2.88Å; N90-M92 VanDerWaalsContact C-N 3.35Å; N90-M92 PolarHBondContact O-N 2.57Å; N90-H93 PolarHBondContact O-N 3.12Å; N90-Q94 WeakPolarHBondContact O-CB 3.37Å; N90-Q94 VanDerWaalsContact O-CG 3.32Å; N90-Q94 WeakPolarHBondContact O-CG 3.41Å; N90-Q94 PolarHBondContact O-N 3.44Å
91I94.9Very high93.8Very high1 Ų136.6 Ų36.61%0.00518%0.178CC..Hα-helixtrans-59.4-45.7176.2-72.5160.4000110.5A57 K60 V61 M64 V79 L80 E87 R88 H93 Q94 Y95 L103A57-I91 HydrophobicContact CB-CG1 4.08Å; K60-I91 HydrophobicContact CB-CG1 4.41Å; K60-I91 HydrophobicContact CD-CD1 3.64Å; K60-I91 HydrophobicContact CD-CG1 4.15Å; V61-I91 HydrophobicContact CG2-CG2 4.2Å; M64-I91 HydrophobicContact CE-CG2 4Å; M64-I91 HydrophobicContact SD-CG2 4.3Å; V79-I91 HydrophobicContact CG1-CD1 3.97Å; L80-I91 HydrophobicContact CD2-CG2 4.49Å; E87-I91 WeakPolarHBondContact O-CB 3.13Å; E87-I91 WeakPolarHBondContact O-CD1 3.35Å; E87-I91 WeakPolarHBondContact O-CG1 3.16Å; E87-I91 PolarHBondContact O-N 2.85Å; R88-I91 PolarHBondContact O-N 3.45Å; I91-H93 PolarHBondContact O-N 3.3Å; I91-Q94 PolarHBondContact O-N 3.07Å; I91-Y95 VanDerWaalsContact O-CB 3.28Å; I91-Y95 WeakPolarHBondContact O-CB 3.37Å; I91-Y95 PolarHBondContact O-N 3.21Å; I91-L103 HydrophobicContact CG2-CD2 4.18Å
92M93.6Very high93.6Very high4 Ų437.6 Ų37.62%0.0219%0.185CC..Hα-helixtrans-57.9-47.5178.1-77.3164.463.300112.4L18 Q22 R88 Q89 N90 Y95 N96 L103 L123L18-M92 HydrophobicContact CD2-CE 3.82Å; Q22-M92 HydrophobicContact CG-CB 4.38Å; Q22-M92 HydrophobicContact CG-CE 3.75Å; R88-M92 WeakPolarHBondContact O-CG 3.49Å; R88-M92 PolarHBondContact O-N 3.19Å; Q89-M92 PolarHBondContact O-N 2.87Å; N90-M92 VanDerWaalsContact C-N 3.35Å; N90-M92 PolarHBondContact O-N 2.57Å; M92-Y95 PolarHBondContact O-N 3.41Å; M92-N96 PolarHBondContact O-N 2.67Å; M92-L103 HydrophobicContact CG-CB 4.48Å; M92-L103 HydrophobicContact CG-CD2 3.92Å; M92-L123 HydrophobicContact CE-CB 4.03Å; M92-L123 VanDerWaalsContact CE-O 3.23Å; M92-L123 WeakPolarHBondContact CE-O 3.33Å; M92-L123 HydrophobicContact CG-CD2 3.69Å; M92-L123 VanDerWaalsContact SD-CA 3.56Å; M92-L123 HydrophobicContact SD-CB 3.65Å; M92-L123 HydrophobicContact SD-CD2 3.78Å; M92-L123 HydrophobicContact SD-CG 4.25Å
93H91.1Very high93.6Very high32 Ų3236 Ų3615%0.14817%0.174CC..Hα-helixtrans-61.4-46177.5179.877.1000111.1D25 Q89 N90 I91 Y95 N96 R97D25-H93 PolarHBondContact O-CE1 3.4Å; D25-H93 VanDerWaalsContact O-CE1 3.31Å; Q89-H93 PolarHBondContact O-N 3.47Å; N90-H93 PolarHBondContact O-N 3.12Å; I91-H93 PolarHBondContact O-N 3.3Å; H93-Y95 PolarHBondContact O-N 3.15Å; H93-N96 PolarHBondContact O-N 2.81Å; H93-R97 PolarHBondContact O-N 3.19Å
94Q93.1Very high93.5Very high22 Ų2236 Ų3610%0.10317%0.174CC..Hα-helixtrans-66.4-35.4178.7-68.4-50.2-25.400113.8A57 D58 V61 N90 I91 R97 I98A57-Q94 HydrophobicContact CB-CB 4.2Å; A57-Q94 HydrophobicContact CB-CG 3.65Å; D58-Q94 WeakPolarHBondContact OD1-CG 3.41Å; D58-Q94 PolarHBondContact OD1-OE1 3.1Å; V61-Q94 HydrophobicContact CG2-CB 3.81Å; N90-Q94 WeakPolarHBondContact O-CB 3.37Å; N90-Q94 VanDerWaalsContact O-CG 3.32Å; N90-Q94 WeakPolarHBondContact O-CG 3.41Å; N90-Q94 PolarHBondContact O-N 3.44Å; I91-Q94 PolarHBondContact O-N 3.07Å; Q94-R97 VanDerWaalsContact CD-CZ 3.47Å; Q94-R97 VanDerWaalsContact NE2-CZ 3.28Å; Q94-R97 VanDerWaalsContact NE2-NH2 3.19Å; Q94-R97 PolarHBondContact O-N 3.06Å; Q94-I98 HydrophobicContact CB-CD1 4.35Å; Q94-I98 WeakPolarHBondContact O-CB 3.33Å; Q94-I98 WeakPolarHBondContact O-CG1 3.49Å; Q94-I98 PolarHBondContact O-N 3.31Å
95Y94.4Very high93.3Very high0 Ų038.1 Ų38.10%018%0.184CC..Hα-helixtrans-60-48.8177.5-163.5-87.1000110.8V61 M64 I91 M92 H93 L99 K101 L103 E106V61-Y95 HydrophobicContact CG1-CD2 4.13Å; V61-Y95 HydrophobicContact CG2-CD2 4.34Å; M64-Y95 HydrophobicContact CB-CE2 4.27Å; M64-Y95 HydrophobicContact SD-CD2 4.14Å; M64-Y95 HydrophobicContact SD-CE2 4.23Å; I91-Y95 VanDerWaalsContact O-CB 3.28Å; I91-Y95 WeakPolarHBondContact O-CB 3.37Å; I91-Y95 PolarHBondContact O-N 3.21Å; M92-Y95 PolarHBondContact O-N 3.41Å; H93-Y95 PolarHBondContact O-N 3.15Å; Y95-L99 HydrophobicContact CD1-CD1 4.28Å; Y95-L99 HydrophobicContact CD2-CD1 3.76Å; Y95-L99 HydrophobicContact CE1-CB 4.46Å; Y95-L99 HydrophobicContact CE1-CD1 3.93Å; Y95-L99 HydrophobicContact CE2-CD1 3.34Å; Y95-L99 HydrophobicContact CG-CD1 4.2Å; Y95-L99 VanDerWaalsContact CZ-CD1 3.43Å; Y95-L99 WeakPolarHBondContact O-CB 3.48Å; Y95-L99 PolarHBondContact O-N 3.01Å; Y95-K101 WeakPolarHBondContact CD1-O 3.33Å; Y95-K101 HydrophobicContact CE1-CG 4.03Å; Y95-L103 VanDerWaalsContact CD1-CA 3.49Å; Y95-L103 HydrophobicContact CD1-CB 3.66Å; Y95-L103 HydrophobicContact CD1-CD1 3.97Å; Y95-L103 HydrophobicContact CD1-CG 4.38Å; Y95-L103 HydrophobicContact CD2-CD1 3.75Å; Y95-L103 HydrophobicContact CE1-CB 4.23Å; Y95-L103 HydrophobicContact CE1-CD1 3.89Å; Y95-L103 HydrophobicContact CE2-CD1 3.67Å; Y95-L103 HydrophobicContact CG-CB 3.82Å; Y95-L103 HydrophobicContact CG-CD1 3.9Å; Y95-L103 HydrophobicContact CG-CG 4.28Å; Y95-E106 HydrophobicContact CE1-CG 4.31Å; Y95-E106 VanDerWaalsContact OH-CD 3.26Å; Y95-E106 PolarHBondContact OH-OE1 2.78Å
96N91.1Very high93.2Very high44 Ų4438.3 Ų38.324%0.23519%0.185CC..Hα-helixtrans-63.8-42.8176.1-170.935.5000111.8Q22 M92 H93 I98 K100 K101Q22-N96 PolarHBondContact O-ND2 2.94Å; M92-N96 PolarHBondContact O-N 2.67Å; H93-N96 PolarHBondContact O-N 2.81Å; N96-I98 PolarHBondContact O-N 2.91Å; N96-K100 WeakPolarHBondContact O-CA 3.42Å; N96-K100 PolarHBondContact O-N 3.42Å; N96-K101 VanDerWaalsContact CA-O 3.32Å; N96-K101 WeakPolarHBondContact CA-O 3.32Å; N96-K101 VanDerWaalsContact OD1-C 3.32Å
97R91.6Very high93Very high122 Ų12239.3 Ų39.346%0.4618%0.184SC..Hα-helixtrans-63.4-44-179.9-169.3175.473.8173.77.4113.2D58 H93 Q94 K100D58-R97 IonicContact OD1-NH2 3.62Å; D58-R97 PolarHBondContact OD1-NH2 3.46Å; D58-R97 IonicContact OD2-NH2 3.03Å; H93-R97 PolarHBondContact O-N 3.19Å; Q94-R97 VanDerWaalsContact CD-CZ 3.47Å; Q94-R97 VanDerWaalsContact NE2-CZ 3.28Å; Q94-R97 VanDerWaalsContact NE2-NH2 3.19Å; Q94-R97 PolarHBondContact O-N 3.06Å; R97-K100 WeakPolarHBondContact O-CD 3.43Å; R97-K100 WeakPolarHBondContact O-CE 3.49Å; R97-K100 PolarHBondContact O-NZ 2.6Å
98I94.1Very high92.7Very high42 Ų4246.2 Ų46.222%0.21522%0.217CC..Hα-helixtrans-84.9-48.1-173.7-65.1170.5000111.2D58 V61 Y62 Q94 N96D58-I98 HydrophobicContact CB-CD1 4.08Å; V61-I98 HydrophobicContact CB-CD1 4.13Å; V61-I98 HydrophobicContact CG1-CB 3.96Å; V61-I98 HydrophobicContact CG1-CD1 3.87Å; V61-I98 HydrophobicContact CG1-CG1 4.46Å; V61-I98 HydrophobicContact CG1-CG2 4.15Å; Y62-I98 HydrophobicContact CD1-CG2 4.15Å; Y62-I98 HydrophobicContact CE1-CG2 3.64Å; Y62-I98 HydrophobicContact CE2-CD1 4.24Å; Q94-I98 HydrophobicContact CB-CD1 4.35Å; Q94-I98 WeakPolarHBondContact O-CB 3.33Å; Q94-I98 WeakPolarHBondContact O-CG1 3.49Å; Q94-I98 PolarHBondContact O-N 3.31Å; N96-I98 PolarHBondContact O-N 2.91Å
99L93Very high92.4Very high55 Ų5550.2 Ų50.229%0.28824%0.238SC..Hα-helixtrans-95.5-0.9-173.9-57.2179.1000113.4V61 Y95 K101V61-L99 HydrophobicContact CG1-CD1 4.16Å; V61-L99 HydrophobicContact CG1-CG 4.14Å; Y95-L99 HydrophobicContact CD1-CD1 4.28Å; Y95-L99 HydrophobicContact CD2-CD1 3.76Å; Y95-L99 HydrophobicContact CE1-CB 4.46Å; Y95-L99 HydrophobicContact CE1-CD1 3.93Å; Y95-L99 HydrophobicContact CE2-CD1 3.34Å; Y95-L99 HydrophobicContact CG-CD1 4.2Å; Y95-L99 VanDerWaalsContact CZ-CD1 3.43Å; Y95-L99 WeakPolarHBondContact O-CB 3.48Å; Y95-L99 PolarHBondContact O-N 3.01Å; L99-K101 HydrophobicContact CB-CG 4.44Å; L99-K101 PolarHBondContact O-N 2.87Å
100K92Very high92.3Very high161 Ų16149.9 Ų49.970%0.724%0.237SC*.SBendtrans56.831.4175-54.4-55.4-173.3-168.50113.7N96 R97N96-K100 WeakPolarHBondContact O-CA 3.42Å; N96-K100 PolarHBondContact O-N 3.42Å; R97-K100 WeakPolarHBondContact O-CD 3.43Å; R97-K100 WeakPolarHBondContact O-CE 3.49Å; R97-K100 PolarHBondContact O-NZ 2.6Å
101K91.1Very high92Very high75 Ų7556.6 Ų56.633%0.32626%0.263SS..SBendtrans-148.8145.417365-178.4-175.4166.90110.8Y95 N96 L99 E106Y95-K101 WeakPolarHBondContact CD1-O 3.33Å; Y95-K101 HydrophobicContact CE1-CG 4.03Å; N96-K101 VanDerWaalsContact CA-O 3.32Å; N96-K101 WeakPolarHBondContact CA-O 3.32Å; N96-K101 VanDerWaalsContact OD1-C 3.32Å; L99-K101 HydrophobicContact CB-CG 4.44Å; L99-K101 PolarHBondContact O-N 2.87Å; K101-E106 WeakPolarHBondContact CE-OE1 3.47Å; K101-E106 IonicContact NZ-OE1 2.94Å; K101-E106 PolarHBondContact NZ-OE1 2.84Å
102P91.9Very high91.6Very high30 Ų3058.9 Ų58.920%0.19528%0.28CS..  trans-56.7136.8173.2-22.532000111.5Q22 L104 N105Q22-P102 HydrophobicContact CB-CB 4.49Å; P102-L104 PolarHBondContact O-N 3.16Å; P102-N105 WeakPolarHBondContact O-CB 3.26Å; P102-N105 PolarHBondContact O-N 3.27Å; P102-N105 VanDerWaalsContact O-N 3.15Å
103L94.2Very high91.4Very high0 Ų061.5 Ų61.50%031%0.307CS..G310 helixtrans-62.2-29.7175.8177.855.1000111.3I76 L80 I91 M92 Y95 N105 E106 F119 L123I76-L103 HydrophobicContact CD1-CD1 4.36Å; I76-L103 HydrophobicContact CG2-CD1 4.07Å; L80-L103 HydrophobicContact CD2-CD2 4.45Å; I91-L103 HydrophobicContact CG2-CD2 4.18Å; M92-L103 HydrophobicContact CG-CB 4.48Å; M92-L103 HydrophobicContact CG-CD2 3.92Å; Y95-L103 VanDerWaalsContact CD1-CA 3.49Å; Y95-L103 HydrophobicContact CD1-CB 3.66Å; Y95-L103 HydrophobicContact CD1-CD1 3.97Å; Y95-L103 HydrophobicContact CD1-CG 4.38Å; Y95-L103 HydrophobicContact CD2-CD1 3.75Å; Y95-L103 HydrophobicContact CE1-CB 4.23Å; Y95-L103 HydrophobicContact CE1-CD1 3.89Å; Y95-L103 HydrophobicContact CE2-CD1 3.67Å; Y95-L103 HydrophobicContact CG-CB 3.82Å; Y95-L103 HydrophobicContact CG-CD1 3.9Å; Y95-L103 HydrophobicContact CG-CG 4.28Å; L103-N105 PolarHBondContact O-N 2.85Å; L103-E106 HydrophobicContact CD1-CG 3.97Å; L103-E106 WeakPolarHBondContact O-CB 3.19Å; L103-E106 WeakPolarHBondContact O-CG 3.43Å; L103-E106 PolarHBondContact O-N 2.61Å; L103-E106 VanDerWaalsContact O-N 3.12Å; L103-F119 HydrophobicContact CG-CZ 4.38Å; L103-L123 HydrophobicContact CD2-CD2 3.57Å; L103-L123 HydrophobicContact CG-CD1 4.34Å; L103-L123 HydrophobicContact CG-CD2 4.05Å
104L92.5Very high91.3Very high1 Ų163.5 Ų63.51%0.00532%0.319CS..G310 helixtrans-59.8-27.7177.5-173.463.1000112.7E15 L18 M19 P102 E106 K107 F119 L123E15-L104 HydrophobicContact CG-CD2 3.72Å; L18-L104 HydrophobicContact CB-CD2 3.72Å; L18-L104 HydrophobicContact CD1-CD1 4Å; L18-L104 HydrophobicContact CD1-CD2 4.31Å; M19-L104 HydrophobicContact CG-CD2 3.78Å; P102-L104 PolarHBondContact O-N 3.16Å; L104-E106 PolarHBondContact O-N 3.47Å; L104-E106 VanDerWaalsContact O-N 3.12Å; L104-K107 HydrophobicContact CG-CD 4.48Å; L104-K107 WeakPolarHBondContact O-CB 3.38Å; L104-K107 WeakPolarHBondContact O-CG 3.28Å; L104-K107 PolarHBondContact O-N 3.18Å; L104-F119 HydrophobicContact CD1-CE1 4.37Å; L104-L123 HydrophobicContact CB-CD1 4.37Å; L104-L123 HydrophobicContact CD1-CD1 4.01Å
105N91.5Very high91.3Very high60 Ų6063.2 Ų63.232%0.32132%0.317SS..G310 helixtrans-63.3-19.4179.1-69.211.4000112.8P102 L103 K107 E108P102-N105 WeakPolarHBondContact O-CB 3.26Å; P102-N105 PolarHBondContact O-N 3.27Å; P102-N105 VanDerWaalsContact O-N 3.15Å; L103-N105 PolarHBondContact O-N 2.85Å; N105-K107 PolarHBondContact O-N 3.06Å; N105-K107 VanDerWaalsContact O-N 3.1Å; N105-E108 PolarHBondContact O-N 3.38Å
106E92.8Very high91.2Very high8 Ų865 Ų654%0.03733%0.325CS..G310 helixtrans-65.2-11.1174.3-59.3-61.716100113I76 Y95 K101 L103 L104 E108 N109 F119I76-E106 HydrophobicContact CD1-CB 4.1Å; I76-E106 HydrophobicContact CD1-CG 3.74Å; Y95-E106 HydrophobicContact CE1-CG 4.31Å; Y95-E106 VanDerWaalsContact OH-CD 3.26Å; Y95-E106 PolarHBondContact OH-OE1 2.78Å; K101-E106 WeakPolarHBondContact CE-OE1 3.47Å; K101-E106 IonicContact NZ-OE1 2.94Å; K101-E106 PolarHBondContact NZ-OE1 2.84Å; L103-E106 HydrophobicContact CD1-CG 3.97Å; L103-E106 WeakPolarHBondContact O-CB 3.19Å; L103-E106 WeakPolarHBondContact O-CG 3.43Å; L103-E106 PolarHBondContact O-N 2.61Å; L103-E106 VanDerWaalsContact O-N 3.12Å; L104-E106 PolarHBondContact O-N 3.47Å; L104-E106 VanDerWaalsContact O-N 3.12Å; E106-E108 PolarHBondContact O-N 2.89Å; E106-E108 VanDerWaalsContact O-N 3.16Å; E106-N109 WeakPolarHBondContact O-CB 3.42Å; E106-N109 PolarHBondContact O-N 3.28Å; E106-N109 VanDerWaalsContact O-N 3.12Å; E106-N109 PolarHBondContact OE2-ND2 3Å; E106-F119 HydrophobicContact CB-CZ 4.14Å
107K90.2Very high91.2Very high47 Ų4763.2 Ų63.220%0.20432%0.315CS..G310 helixtrans-54.9-28.5173.371.4178.1-177.7158.80114.2E15 L104 N105 N109 I110 Y116 F119E15-K107 IonicContact OE1-NZ 3.42Å; E15-K107 PolarHBondContact OE1-NZ 3.44Å; E15-K107 IonicContact OE2-NZ 3.78Å; E15-K107 PolarHBondContact OE2-NZ 3.08Å; L104-K107 HydrophobicContact CG-CD 4.48Å; L104-K107 WeakPolarHBondContact O-CB 3.38Å; L104-K107 WeakPolarHBondContact O-CG 3.28Å; L104-K107 PolarHBondContact O-N 3.18Å; N105-K107 PolarHBondContact O-N 3.06Å; N105-K107 VanDerWaalsContact O-N 3.1Å; K107-N109 PolarHBondContact O-N 3.23Å; K107-I110 PolarHBondContact O-N 3.42Å; K107-Y116 HydrophobicContact CB-CD2 3.74Å; K107-Y116 HydrophobicContact CB-CE2 3.48Å; K107-Y116 VanDerWaalsContact CB-CE2 3.48Å; K107-Y116 HydrophobicContact CD-CD2 4.46Å; K107-Y116 HydrophobicContact CD-CE2 3.52Å; K107-Y116 HydrophobicContact CG-CE2 4.11Å; K107-F119 HydrophobicContact CB-CD1 4.42Å; K107-F119 HydrophobicContact CB-CE1 4.27Å
108E90.1Very high91.4Very high165 Ų16557.4 Ų57.477%0.77129%0.293SS*.G310 helixtrans-58.5-22.4179.6-66.6179.4176.200112N105 E106N105-E108 PolarHBondContact O-N 3.38Å; E106-E108 PolarHBondContact O-N 2.89Å; E106-E108 VanDerWaalsContact O-N 3.16Å
109N90.4Very high91.5Very high85 Ų8555.5 Ų55.546%0.45528%0.283SS..G310 helixtrans-89.2-5.8177.8-57.8-53.2000113.6T73 E106 K107T73-N109 VanDerWaalsContact OG1-CB 3.3Å; T73-N109 WeakPolarHBondContact OG1-CB 3.28Å; E106-N109 WeakPolarHBondContact O-CB 3.42Å; E106-N109 PolarHBondContact O-N 3.28Å; E106-N109 VanDerWaalsContact O-N 3.12Å; E106-N109 PolarHBondContact OE2-ND2 3Å; K107-N109 PolarHBondContact O-N 3.23Å
110I90.5Very high91.5Very high25 Ų2552.9 Ų52.913%0.12827%0.269CS..  trans-99.9110.2-177.6-56.4178.7000109.5T73 K107 M115 F119T73-I110 HydrophobicContact CG2-CG1 4.01Å; K107-I110 PolarHBondContact O-N 3.42Å; I110-M115 HydrophobicContact CG2-CB 3.53Å; I110-F119 HydrophobicContact CD1-CB 3.5Å; I110-F119 HydrophobicContact CD1-CD1 3.61Å; I110-F119 HydrophobicContact CD1-CD2 4.05Å; I110-F119 HydrophobicContact CD1-CE1 4.29Å; I110-F119 HydrophobicContact CD1-CG 3.45Å; I110-F119 VanDerWaalsContact CD1-CG 3.45Å
111K87.4Confident91.7Very high209 Ų20945.2 Ų45.291%0.90924%0.236SC*.  trans-86-29.6-173-62.5-179-178.2176.50114.3
112S87.5Confident92Very high50 Ų5041.7 Ų41.735%0.3522%0.221SC..SBendtrans-88128.1-177.8169.50000110.2L114 M115 Y116S112-L114 VanDerWaalsContact C-N 3.28Å; S112-L114 PolarHBondContact O-N 2.85Å; S112-M115 PolarHBondContact O-N 2.75Å; S112-M115 VanDerWaalsContact O-N 3.15Å; S112-Y116 PolarHBondContact O-N 2.92Å
113G88.9Confident92.2Very high58 Ų5840.3 Ų40.360%0.59821%0.211SC*.Hα-helixtrans-59.5-35.3178.700000113.6Y116 Q117G113-Y116 WeakPolarHBondContact O-CB 3.42Å; G113-Y116 PolarHBondContact O-N 3.14Å; G113-Q117 PolarHBondContact O-N 3.35Å
114L89.9Confident92.2Very high75 Ų7540.4 Ų40.439%0.39321%0.212SC..Hα-helixtrans-71.6-37.9175.9-69.5173000112.3S112 Y116 Q117 L118 V313 L314 Y355S112-L114 VanDerWaalsContact C-N 3.28Å; S112-L114 PolarHBondContact O-N 2.85Å; L114-Y116 VanDerWaalsContact C-N 3.3Å; L114-Q117 PolarHBondContact O-N 2.63Å; L114-L118 PolarHBondContact O-N 2.85Å; L114-V313 HydrophobicContact CD2-CG1 4.07Å; L114-L314 HydrophobicContact CD2-CD2 4.4Å; L114-Y355 HydrophobicContact CB-CD1 3.58Å; L114-Y355 HydrophobicContact CB-CD2 4.37Å; L114-Y355 HydrophobicContact CB-CE1 3.73Å; L114-Y355 HydrophobicContact CB-CG 3.92Å; L114-Y355 HydrophobicContact CD1-CD1 3.75Å; L114-Y355 HydrophobicContact CD1-CE1 3.86Å; L114-Y355 HydrophobicContact CD2-CE1 4.19Å; L114-Y355 HydrophobicContact CG-CD1 4.21Å; L114-Y355 HydrophobicContact CG-CE1 4.14Å
115M92.3Very high92.3Very high15 Ų1541 Ų417%0.07422%0.215CC..Hα-helixtrans-65.4-37.8172.6-79.8-62.4-71.400111.7M77 I110 S112 Q117 L118 F119 E354 Y355 A358M77-M115 HydrophobicContact CE-CE 3.99Å; M77-M115 HydrophobicContact CG-CE 4.49Å; I110-M115 HydrophobicContact CG2-CB 3.53Å; S112-M115 PolarHBondContact O-N 2.75Å; S112-M115 VanDerWaalsContact O-N 3.15Å; M115-Q117 VanDerWaalsContact C-N 3.3Å; M115-L118 PolarHBondContact O-N 3.21Å; M115-L118 HydrophobicContact SD-CD2 4.4Å; M115-F119 WeakPolarHBondContact O-CB 3.49Å; M115-F119 PolarHBondContact O-N 3.46Å; M115-E354 HydrophobicContact CG-CB 4.3Å; M115-E354 HydrophobicContact SD-CB 4.35Å; M115-Y355 WeakPolarHBondContact SD-CA 3.28Å; M115-Y355 HydrophobicContact SD-CD2 3.99Å; M115-Y355 HydrophobicContact SD-CG 4.39Å; M115-A358 HydrophobicContact CE-CB 4.37Å; M115-A358 HydrophobicContact SD-CB 4.21Å
116Y92.1Very high92.5Very high39 Ų3938.7 Ų38.715%0.15320%0.204CC..Hα-helixtrans-60.6-44173.7173.2-104.7000110.3K107 S112 G113 L114 L118 F119 E120K107-Y116 HydrophobicContact CB-CD2 3.74Å; K107-Y116 HydrophobicContact CB-CE2 3.48Å; K107-Y116 VanDerWaalsContact CB-CE2 3.48Å; K107-Y116 HydrophobicContact CD-CD2 4.46Å; K107-Y116 HydrophobicContact CD-CE2 3.52Å; K107-Y116 HydrophobicContact CG-CE2 4.11Å; S112-Y116 PolarHBondContact O-N 2.92Å; G113-Y116 WeakPolarHBondContact O-CB 3.42Å; G113-Y116 PolarHBondContact O-N 3.14Å; L114-Y116 VanDerWaalsContact C-N 3.3Å; Y116-L118 PolarHBondContact O-N 2.94Å; Y116-F119 WeakPolarHBondContact O-CB 3.37Å; Y116-F119 PolarHBondContact O-N 2.72Å; Y116-E120 VanDerWaalsContact CE1-OE2 3.24Å; Y116-E120 WeakPolarHBondContact CE1-OE2 3.44Å; Y116-E120 WeakPolarHBondContact O-CB 3.22Å; Y116-E120 PolarHBondContact O-N 2.76Å; Y116-E120 PolarHBondContact OH-OE2 3.17Å
117Q92Very high92.7Very high6 Ų639 Ų393%0.02821%0.207CC..Hα-helixtrans-63.6-40.3176.7-16655.739.900113.3F11 G113 L114 M115 F119 E120 D121 L314F11-Q117 VanDerWaalsContact CD1-OE1 3.23Å; G113-Q117 PolarHBondContact O-N 3.35Å; L114-Q117 PolarHBondContact O-N 2.63Å; M115-Q117 VanDerWaalsContact C-N 3.3Å; Q117-F119 VanDerWaalsContact C-N 3.33Å; Q117-E120 PolarHBondContact O-N 3.48Å; Q117-D121 PolarHBondContact NE2-OD1 3.33Å; Q117-D121 WeakPolarHBondContact O-CB 3.49Å; Q117-D121 PolarHBondContact O-N 2.76Å; Q117-L314 HydrophobicContact CB-CD2 4.09Å; Q117-L314 HydrophobicContact CG-CD1 4.18Å; Q117-L314 HydrophobicContact CG-CD2 3.5Å; Q117-L314 VanDerWaalsContact CG-CD2 3.5Å; Q117-L314 HydrophobicContact CG-CG 4.46Å
118L95Very high92.9Very high0 Ų037.5 Ų37.50%020%0.201CC..Hα-helixtrans-61.5-43.317418056.9000111.7M77 L81 L114 M115 Y116 D121 L122 Q317 L321 Y355 A358 L359M77-L118 HydrophobicContact CE-CD2 4.13Å; M77-L118 HydrophobicContact CE-CG 4.17Å; L81-L118 HydrophobicContact CD2-CD2 4.5Å; L114-L118 PolarHBondContact O-N 2.85Å; M115-L118 PolarHBondContact O-N 3.21Å; M115-L118 HydrophobicContact SD-CD2 4.4Å; Y116-L118 PolarHBondContact O-N 2.94Å; L118-D121 PolarHBondContact O-N 2.92Å; L118-L122 HydrophobicContact CD1-CD1 4.11Å; L118-L122 HydrophobicContact CD1-CG 4.17Å; L118-L122 HydrophobicContact CG-CD1 4Å; L118-L122 HydrophobicContact CG-CG 4.5Å; L118-L122 WeakPolarHBondContact O-CB 3.5Å; L118-L122 VanDerWaalsContact O-CG 3.22Å; L118-L122 WeakPolarHBondContact O-CG 3.38Å; L118-L122 PolarHBondContact O-N 3.01Å; L118-Q317 VanDerWaalsContact CB-OE1 3.3Å; L118-Q317 HydrophobicContact CD1-CG 3.96Å; L118-L321 HydrophobicContact CD1-CD1 4.35Å; L118-Y355 HydrophobicContact CB-CD2 4.26Å; L118-Y355 HydrophobicContact CB-CE2 3.93Å; L118-Y355 HydrophobicContact CD2-CD2 4.03Å; L118-Y355 HydrophobicContact CD2-CE2 4.05Å; L118-Y355 HydrophobicContact CG-CE2 4.47Å; L118-A358 HydrophobicContact CD2-CB 3.51Å; L118-L359 HydrophobicContact CD1-CD2 4.32Å; L118-L359 HydrophobicContact CD2-CD2 4.43Å
119F95.6Very high93.2Very high2 Ų229.8 Ų29.81%0.00917%0.165CC..Hα-helixtrans-61.8-47.5177.1178.6-114.7000111.1I76 M77 L80 L103 L104 E106 K107 I110 M115 Y116 Q117 L122 L123I76-F119 HydrophobicContact CG2-CE2 3.76Å; M77-F119 HydrophobicContact SD-CB 4.05Å; M77-F119 HydrophobicContact SD-CD2 3.59Å; M77-F119 VanDerWaalsContact SD-CD2 3.59Å; M77-F119 HydrophobicContact SD-CE2 4.49Å; M77-F119 HydrophobicContact SD-CG 4.24Å; L80-F119 HydrophobicContact CD1-CD2 3.83Å; L80-F119 HydrophobicContact CD1-CE2 3.64Å; L103-F119 HydrophobicContact CG-CZ 4.38Å; L104-F119 HydrophobicContact CD1-CE1 4.37Å; E106-F119 HydrophobicContact CB-CZ 4.14Å; K107-F119 HydrophobicContact CB-CD1 4.42Å; K107-F119 HydrophobicContact CB-CE1 4.27Å; I110-F119 HydrophobicContact CD1-CB 3.5Å; I110-F119 HydrophobicContact CD1-CD1 3.61Å; I110-F119 HydrophobicContact CD1-CD2 4.05Å; I110-F119 HydrophobicContact CD1-CE1 4.29Å; I110-F119 HydrophobicContact CD1-CG 3.45Å; I110-F119 VanDerWaalsContact CD1-CG 3.45Å; M115-F119 WeakPolarHBondContact O-CB 3.49Å; M115-F119 PolarHBondContact O-N 3.46Å; Y116-F119 WeakPolarHBondContact O-CB 3.37Å; Y116-F119 PolarHBondContact O-N 2.72Å; Q117-F119 VanDerWaalsContact C-N 3.33Å; F119-L122 PolarHBondContact O-N 3.43Å; F119-L123 HydrophobicContact CD1-CD1 4.22Å; F119-L123 HydrophobicContact CE1-CD1 3.69Å; F119-L123 HydrophobicContact CE2-CD1 4.05Å; F119-L123 HydrophobicContact CE2-CD2 4.39Å; F119-L123 HydrophobicContact CE2-CG 4.3Å; F119-L123 HydrophobicContact CZ-CD1 3.61Å; F119-L123 HydrophobicContact CZ-CG 4.35Å; F119-L123 WeakPolarHBondContact O-CG 3.2Å; F119-L123 PolarHBondContact O-N 3.01Å; F119-L123 VanDerWaalsContact O-N 3.07Å
120E94.7Very high93.5Very high0 Ų026 Ų260%014%0.144CC..Hα-helixtrans-60-46.5176.9-166.5179.9111.700111.9T14 L18 Y116 Q117 L122 L123 T124T14-E120 WeakPolarHBondContact CB-OE1 3.34Å; T14-E120 HydrophobicContact CG2-CG 3.93Å; T14-E120 WeakPolarHBondContact CG2-OE1 3.27Å; L18-E120 HydrophobicContact CD1-CG 3.57Å; Y116-E120 VanDerWaalsContact CE1-OE2 3.24Å; Y116-E120 WeakPolarHBondContact CE1-OE2 3.44Å; Y116-E120 WeakPolarHBondContact O-CB 3.22Å; Y116-E120 PolarHBondContact O-N 2.76Å; Y116-E120 PolarHBondContact OH-OE2 3.17Å; Q117-E120 PolarHBondContact O-N 3.48Å; E120-L122 VanDerWaalsContact C-N 3.35Å; E120-L122 PolarHBondContact O-N 3.05Å; E120-L123 PolarHBondContact O-N 3.09Å; E120-L123 VanDerWaalsContact O-N 3.16Å; E120-T124 WeakPolarHBondContact O-CB 3.35Å; E120-T124 PolarHBondContact O-N 3.29Å; E120-T124 PolarHBondContact O-OG1 3.38Å
121D95.8Very high93.8Very high0 Ų024.8 Ų24.80%014%0.138CC..Hα-helixtrans-63-39.8176.6-80.211.1000111.2Q117 L118 L123 T124 L129 Q317 R318 L321Q117-D121 PolarHBondContact NE2-OD1 3.33Å; Q117-D121 WeakPolarHBondContact O-CB 3.49Å; Q117-D121 PolarHBondContact O-N 2.76Å; L118-D121 PolarHBondContact O-N 2.92Å; D121-L123 VanDerWaalsContact C-N 3.26Å; D121-L123 PolarHBondContact O-N 2.79Å; D121-T124 PolarHBondContact O-N 2.85Å; D121-L129 HydrophobicContact CB-CD1 4.2Å; D121-L129 HydrophobicContact CB-CD2 4.16Å; D121-L129 WeakPolarHBondContact O-CD1 3.23Å; D121-L129 WeakPolarHBondContact OD1-CD2 3.24Å; D121-Q317 PolarHBondContact OD2-NE2 3.33Å; D121-R318 IonicContact OD1-CZ 2.92Å; D121-R318 IonicContact OD1-NE 3.33Å; D121-R318 IonicContact OD1-NH2 3.9Å; D121-R318 PolarHBondContact OD1-NH2 3.36Å; D121-R318 WeakPolarHBondContact OD2-CG 3.41Å; D121-R318 IonicContact OD2-CZ 2.97Å; D121-R318 IonicContact OD2-NE 3.12Å; D121-R318 PolarHBondContact OD2-NE 3.47Å; D121-R318 IonicContact OD2-NH2 3.99Å; D121-L321 HydrophobicContact CB-CD1 3.9Å
122L96.6Very high94.2Very high1 Ų115 Ų151%0.00510%0.095CC..Hα-helixtrans-63.9-31.2175.8-75.7167.4000112.8M77 L80 L81 R88 L118 F119 E120 L321M77-L122 HydrophobicContact CE-CD1 3.78Å; L80-L122 HydrophobicContact CB-CB 4.32Å; L80-L122 HydrophobicContact CB-CD1 4.1Å; L80-L122 HydrophobicContact CD1-CB 4.48Å; L81-L122 HydrophobicContact CD2-CD1 3.82Å; L81-L122 HydrophobicContact CD2-CD2 4.29Å; L81-L122 HydrophobicContact CG-CD1 3.97Å; R88-L122 WeakPolarHBondContact CD-O 3.37Å; R88-L122 PolarHBondContact NE-O 3.18Å; L118-L122 HydrophobicContact CD1-CD1 4.11Å; L118-L122 HydrophobicContact CD1-CG 4.17Å; L118-L122 HydrophobicContact CG-CD1 4Å; L118-L122 HydrophobicContact CG-CG 4.5Å; L118-L122 WeakPolarHBondContact O-CB 3.5Å; L118-L122 VanDerWaalsContact O-CG 3.22Å; L118-L122 WeakPolarHBondContact O-CG 3.38Å; L118-L122 PolarHBondContact O-N 3.01Å; F119-L122 PolarHBondContact O-N 3.43Å; E120-L122 VanDerWaalsContact C-N 3.35Å; E120-L122 PolarHBondContact O-N 3.05Å; L122-L321 HydrophobicContact CD2-CD2 3.68Å; L122-L321 HydrophobicContact CG-CD2 4.49Å
123L95.7Very high94.6Very high0 Ų012.6 Ų12.60%08%0.079CC..Hα-helixtrans-82-23.1175.6-62.8-173.2000112.6L18 L80 Q89 M92 L103 L104 F119 E120 D121L18-L123 HydrophobicContact CD1-CB 4.4Å; L18-L123 HydrophobicContact CD2-CB 4.22Å; L80-L123 HydrophobicContact CD1-CD2 3.71Å; L80-L123 HydrophobicContact CD2-CD2 4.04Å; Q89-L123 PolarHBondContact NE2-O 3.35Å; M92-L123 HydrophobicContact CE-CB 4.03Å; M92-L123 VanDerWaalsContact CE-O 3.23Å; M92-L123 WeakPolarHBondContact CE-O 3.33Å; M92-L123 HydrophobicContact CG-CD2 3.69Å; M92-L123 VanDerWaalsContact SD-CA 3.56Å; M92-L123 HydrophobicContact SD-CB 3.65Å; M92-L123 HydrophobicContact SD-CD2 3.78Å; M92-L123 HydrophobicContact SD-CG 4.25Å; L103-L123 HydrophobicContact CD2-CD2 3.57Å; L103-L123 HydrophobicContact CG-CD1 4.34Å; L103-L123 HydrophobicContact CG-CD2 4.05Å; L104-L123 HydrophobicContact CB-CD1 4.37Å; L104-L123 HydrophobicContact CD1-CD1 4.01Å; F119-L123 HydrophobicContact CD1-CD1 4.22Å; F119-L123 HydrophobicContact CE1-CD1 3.69Å; F119-L123 HydrophobicContact CE2-CD1 4.05Å; F119-L123 HydrophobicContact CE2-CD2 4.39Å; F119-L123 HydrophobicContact CE2-CG 4.3Å; F119-L123 HydrophobicContact CZ-CD1 3.61Å; F119-L123 HydrophobicContact CZ-CG 4.35Å; F119-L123 WeakPolarHBondContact O-CG 3.2Å; F119-L123 PolarHBondContact O-N 3.01Å; F119-L123 VanDerWaalsContact O-N 3.07Å; E120-L123 PolarHBondContact O-N 3.09Å; E120-L123 VanDerWaalsContact O-N 3.16Å; D121-L123 VanDerWaalsContact C-N 3.26Å; D121-L123 PolarHBondContact O-N 2.79Å
124T94.4Very high95Very high2 Ų29.9 Ų9.91%0.0125%0.051CC..SBendtrans-77.9132.8-176.6-57.10000110.9E120 D121 T126 I128 L129E120-T124 WeakPolarHBondContact O-CB 3.35Å; E120-T124 PolarHBondContact O-N 3.29Å; E120-T124 PolarHBondContact O-OG1 3.38Å; D121-T124 PolarHBondContact O-N 2.85Å; T124-T126 PolarHBondContact O-N 2.96Å; T124-I128 HydrophobicContact CG2-CB 3.74Å; T124-I128 HydrophobicContact CG2-CG2 3.7Å; T124-L129 HydrophobicContact CG2-CD2 3.75Å; T124-L129 HydrophobicContact CG2-CG 3.72Å
125D95.3Very high95.3Very high14 Ų149.3 Ų9.38%0.0754%0.044CC..  trans-60.1138175.3-174.8-87.5000110.2F31 N85 Q89 S127 I128 L129F31-D125 WeakPolarHBondContact CB-OD1 3.42Å; F31-D125 PolarHBondContact N-OD2 3.3Å; N85-D125 PolarHBondContact ND2-OD2 2.83Å; Q89-D125 HydrophobicContact CG-CB 4.34Å; D125-S127 PolarHBondContact O-N 3.26Å; D125-S127 VanDerWaalsContact O-N 3.11Å; D125-S127 WeakPolarHBondContact OD1-CB 3.43Å; D125-S127 PolarHBondContact OD1-N 2.94Å; D125-S127 PolarHBondContact OD1-OG 2.71Å; D125-S127 VanDerWaalsContact OD1-OG 3.08Å; D125-I128 HydrophobicContact CB-CD1 4.46Å; D125-I128 WeakPolarHBondContact O-CB 3.47Å; D125-I128 PolarHBondContact O-N 3.32Å; D125-L129 PolarHBondContact O-N 2.75Å; D125-L129 VanDerWaalsContact O-N 3.16Å
126T96.5Very high95.4Very high12 Ų1212 Ų127%0.0745%0.053CC..Hα-helixtrans-57.9-30.1-173.2-62.90000112.6F31 N85 T124 I128 L129 L130 F322F31-T126 HydrophobicContact CD1-CG2 3.83Å; F31-T126 HydrophobicContact CE1-CG2 3.87Å; N85-T126 WeakPolarHBondContact CB-OG1 3.41Å; N85-T126 PolarHBondContact OD1-N 3.36Å; N85-T126 VanDerWaalsContact OD1-N 3.14Å; N85-T126 PolarHBondContact OD1-OG1 3.22Å; N85-T126 VanDerWaalsContact OD1-OG1 3.1Å; T124-T126 PolarHBondContact O-N 2.96Å; T126-I128 VanDerWaalsContact C-N 3.31Å; T126-I128 PolarHBondContact O-N 3.33Å; T126-L129 PolarHBondContact O-N 2.78Å; T126-L130 HydrophobicContact CG2-CD1 3.77Å; T126-L130 HydrophobicContact CG2-CG 4.25Å; T126-L130 WeakPolarHBondContact O-CB 3.27Å; T126-L130 WeakPolarHBondContact O-CD1 3.46Å; T126-L130 VanDerWaalsContact O-CG 3.27Å; T126-L130 WeakPolarHBondContact O-CG 3.24Å; T126-L130 PolarHBondContact O-N 3.29Å; T126-F322 HydrophobicContact CG2-CD1 4.01Å; T126-F322 HydrophobicContact CG2-CE1 4.29Å
127S95.8Very high95.6Very high15 Ų1510.2 Ų10.211%0.1055%0.047CC..Hα-helixtrans-64.8-36.5176760000112.5D125 A131D125-S127 PolarHBondContact O-N 3.26Å; D125-S127 VanDerWaalsContact O-N 3.11Å; D125-S127 WeakPolarHBondContact OD1-CB 3.43Å; D125-S127 PolarHBondContact OD1-N 2.94Å; D125-S127 PolarHBondContact OD1-OG 2.71Å; D125-S127 VanDerWaalsContact OD1-OG 3.08Å; S127-A131 WeakPolarHBondContact O-CB 3.17Å; S127-A131 PolarHBondContact O-N 3.04Å
128I95.3Very high95.9Very high15 Ų1510 Ų108%0.0775%0.045CC..Hα-helixtrans-72.4-43.3179-61173.9000109.7I17 L21 T124 D125 T126 L130 A131 D132 A164 I167 Y168I17-I128 HydrophobicContact CG2-CD1 4.17Å; L21-I128 HydrophobicContact CD1-CD1 3.92Å; T124-I128 HydrophobicContact CG2-CB 3.74Å; T124-I128 HydrophobicContact CG2-CG2 3.7Å; D125-I128 HydrophobicContact CB-CD1 4.46Å; D125-I128 WeakPolarHBondContact O-CB 3.47Å; D125-I128 PolarHBondContact O-N 3.32Å; T126-I128 VanDerWaalsContact C-N 3.31Å; T126-I128 PolarHBondContact O-N 3.33Å; I128-L130 PolarHBondContact O-N 3.15Å; I128-A131 WeakPolarHBondContact O-CB 3.27Å; I128-A131 PolarHBondContact O-N 3.23Å; I128-D132 PolarHBondContact O-N 3.04Å; I128-A164 HydrophobicContact CG1-CB 4.21Å; I128-I167 HydrophobicContact CD1-CD1 4.42Å; I128-I167 HydrophobicContact CG1-CD1 4.21Å; I128-I167 HydrophobicContact CG2-CD1 4.1Å; I128-Y168 WeakPolarHBondContact CG2-OH 3.27Å
129L95.6Very high95.9Very high3 Ų313.5 Ų13.52%0.0166%0.063CC..Hα-helixtrans-62-41.1175.3-71.2-178.7000112.9D121 T124 D125 T126 A131 E133 F322D121-L129 HydrophobicContact CB-CD1 4.2Å; D121-L129 HydrophobicContact CB-CD2 4.16Å; D121-L129 WeakPolarHBondContact O-CD1 3.23Å; D121-L129 WeakPolarHBondContact OD1-CD2 3.24Å; T124-L129 HydrophobicContact CG2-CD2 3.75Å; T124-L129 HydrophobicContact CG2-CG 3.72Å; D125-L129 PolarHBondContact O-N 2.75Å; D125-L129 VanDerWaalsContact O-N 3.16Å; T126-L129 PolarHBondContact O-N 2.78Å; L129-A131 VanDerWaalsContact C-N 3.32Å; L129-E133 VanDerWaalsContact O-CB 3.3Å; L129-E133 WeakPolarHBondContact O-CB 3.37Å; L129-E133 PolarHBondContact O-N 3.35Å; L129-F322 HydrophobicContact CB-CE1 3.62Å; L129-F322 HydrophobicContact CB-CZ 3.87Å; L129-F322 HydrophobicContact CD1-CE1 4.15Å
130L97.2Very high95.8Very high5 Ų517.1 Ų17.13%0.0269%0.089CC..Hα-helixtrans-65-37.8175.5-76.1162.6000111.6F31 T126 I128 E133 L134 I149 F153 V161 F322F31-L130 HydrophobicContact CE1-CD1 3.81Å; F31-L130 HydrophobicContact CZ-CD1 3.9Å; T126-L130 HydrophobicContact CG2-CD1 3.77Å; T126-L130 HydrophobicContact CG2-CG 4.25Å; T126-L130 WeakPolarHBondContact O-CB 3.27Å; T126-L130 WeakPolarHBondContact O-CD1 3.46Å; T126-L130 VanDerWaalsContact O-CG 3.27Å; T126-L130 WeakPolarHBondContact O-CG 3.24Å; T126-L130 PolarHBondContact O-N 3.29Å; I128-L130 PolarHBondContact O-N 3.15Å; L130-E133 PolarHBondContact O-N 2.96Å; L130-L134 VanDerWaalsContact O-CB 3.26Å; L130-L134 WeakPolarHBondContact O-CB 3.42Å; L130-L134 PolarHBondContact O-N 3.03Å; L130-I149 HydrophobicContact CD2-CG2 4.28Å; L130-F153 HydrophobicContact CB-CZ 4.32Å; L130-F153 HydrophobicContact CD1-CE1 3.78Å; L130-F153 HydrophobicContact CD1-CZ 4.32Å; L130-F153 HydrophobicContact CD2-CE1 4.16Å; L130-F153 HydrophobicContact CD2-CZ 4.36Å; L130-F153 HydrophobicContact CG-CE1 4.41Å; L130-V161 HydrophobicContact CB-CG1 4.19Å; L130-V161 HydrophobicContact CB-CG2 3.96Å; L130-V161 HydrophobicContact CD1-CG2 4.07Å; L130-F322 HydrophobicContact CD2-CD1 4.32Å; L130-F322 HydrophobicContact CD2-CD2 3.96Å; L130-F322 HydrophobicContact CD2-CE1 4.17Å; L130-F322 HydrophobicContact CD2-CE2 3.8Å; L130-F322 HydrophobicContact CD2-CG 4.22Å; L130-F322 HydrophobicContact CD2-CZ 3.91Å; L130-F322 HydrophobicContact CG-CD1 4.38Å; L130-F322 HydrophobicContact CG-CE1 4.02Å; L130-F322 HydrophobicContact CG-CE2 4.45Å; L130-F322 HydrophobicContact CG-CZ 4.06Å
131A96.4Very high95.9Very high0 Ų020.2 Ų20.20%011%0.11CC..Hα-helixtrans-66.7-43.2176.900000112.6S127 I128 L129 L134 Y135 V161 A164 Y168S127-A131 WeakPolarHBondContact O-CB 3.17Å; S127-A131 PolarHBondContact O-N 3.04Å; I128-A131 WeakPolarHBondContact O-CB 3.27Å; I128-A131 PolarHBondContact O-N 3.23Å; L129-A131 VanDerWaalsContact C-N 3.32Å; A131-L134 PolarHBondContact O-N 3.07Å; A131-Y135 WeakPolarHBondContact O-CB 3.19Å; A131-Y135 PolarHBondContact O-N 3.23Å; A131-V161 HydrophobicContact CB-CG1 4.14Å; A131-A164 HydrophobicContact CB-CB 3.74Å; A131-Y168 HydrophobicContact CB-CD2 4.39Å; A131-Y168 HydrophobicContact CB-CE2 4.14Å
132D95.3Very high95.9Very high2 Ų222.4 Ų22.41%0.01112%0.122CC..Hα-helixtrans-59.2-51.3172177.38.3000110.3H10 I128 L134 Y135 R136 Y168 R318H10-D132 IonicContact CD2-OD1 3.47Å; H10-D132 IonicContact CE1-OD1 3Å; H10-D132 IonicContact CE1-OD2 2.95Å; H10-D132 PolarHBondContact CE1-OD2 3.32Å; H10-D132 IonicContact NE2-OD1 3.96Å; H10-D132 PolarHBondContact NE2-OD1 2.99Å; H10-D132 IonicContact NE2-OD2 3.94Å; H10-D132 PolarHBondContact NE2-OD2 3.23Å; I128-D132 PolarHBondContact O-N 3.04Å; D132-L134 VanDerWaalsContact C-N 3.27Å; D132-L134 PolarHBondContact O-N 3.03Å; D132-Y135 CarbonylContact O-C 3.59Å; D132-Y135 WeakPolarHBondContact O-CA 3.49Å; D132-Y135 WeakPolarHBondContact O-CB 3.42Å; D132-Y135 PolarHBondContact O-N 2.88Å; D132-R136 WeakPolarHBondContact O-CG 3.36Å; D132-R136 PolarHBondContact O-N 2.99Å; D132-R136 VanDerWaalsContact OD1-CD 3.28Å; D132-R136 WeakPolarHBondContact OD1-CD 3.42Å; D132-R136 WeakPolarHBondContact OD1-CG 3.45Å; D132-Y168 HydrophobicContact CB-CD2 4.49Å; D132-Y168 HydrophobicContact CB-CE1 4.26Å; D132-Y168 HydrophobicContact CB-CE2 3.73Å; D132-R318 VanDerWaalsContact CG-NH1 3.32Å; D132-R318 IonicContact OD1-NH1 2.99Å; D132-R318 IonicContact OD2-CZ 3.9Å; D132-R318 IonicContact OD2-NH1 3.64Å; D132-R318 PolarHBondContact OD2-NH1 3.21Å; D132-R318 IonicContact OD2-NH2 3.25Å; D132-R318 PolarHBondContact OD2-NH2 2.78Å
133E96.1Very high96Very high1 Ų123 Ų231%0.00513%0.125CC..Hα-helixtrans-62.2-37.2-177.7-164.763.8-172.700112.5L129 L130 R136 A137 R145 I149 R318 F322L129-E133 VanDerWaalsContact O-CB 3.3Å; L129-E133 WeakPolarHBondContact O-CB 3.37Å; L129-E133 PolarHBondContact O-N 3.35Å; L130-E133 PolarHBondContact O-N 2.96Å; E133-R136 IonicContact OE1-NH1 3.52Å; E133-R136 PolarHBondContact OE1-NH1 2.7Å; E133-R136 IonicContact OE2-NH1 2.79Å; E133-R136 PolarHBondContact OE2-NH1 2.78Å; E133-A137 VanDerWaalsContact O-CB 3.24Å; E133-A137 WeakPolarHBondContact O-CB 3.32Å; E133-A137 PolarHBondContact O-N 3.03Å; E133-R145 IonicContact OE1-CZ 3.24Å; E133-R145 IonicContact OE1-NE 3.03Å; E133-R145 PolarHBondContact OE1-NE 2.99Å; E133-R145 IonicContact OE1-NH1 3.9Å; E133-R145 IonicContact OE1-NH2 2.7Å; E133-R145 PolarHBondContact OE1-NH2 3.18Å; E133-I149 HydrophobicContact CB-CD1 4.04Å; E133-I149 HydrophobicContact CG-CD1 3.77Å; E133-R318 WeakPolarHBondContact OE2-CD 3.34Å; E133-R318 IonicContact OE2-CZ 3.72Å; E133-R318 IonicContact OE2-NH1 2.99Å; E133-R318 PolarHBondContact OE2-NH1 2.97Å; E133-F322 HydrophobicContact CB-CE2 4.47Å; E133-F322 HydrophobicContact CG-CE2 4.45Å
134L97.3Very high96Very high1 Ų127.3 Ų27.31%0.00514%0.141CC..Hα-helixtrans-65.3-41.8172.3-177.761.5000111.5L130 A131 D132 A137 I138 T146 I149 L150 Y165 F173L130-L134 VanDerWaalsContact O-CB 3.26Å; L130-L134 WeakPolarHBondContact O-CB 3.42Å; L130-L134 PolarHBondContact O-N 3.03Å; A131-L134 PolarHBondContact O-N 3.07Å; D132-L134 VanDerWaalsContact C-N 3.27Å; D132-L134 PolarHBondContact O-N 3.03Å; L134-A137 PolarHBondContact O-N 2.82Å; L134-I138 HydrophobicContact CD1-CD1 3.86Å; L134-I138 HydrophobicContact CD1-CG1 4.24Å; L134-I138 HydrophobicContact CG-CD1 3.83Å; L134-I138 WeakPolarHBondContact O-CD1 3.49Å; L134-I138 WeakPolarHBondContact O-CG1 3.43Å; L134-I138 PolarHBondContact O-N 2.74Å; L134-T146 HydrophobicContact CD1-CG2 3.98Å; L134-I149 HydrophobicContact CB-CD1 4.33Å; L134-I149 HydrophobicContact CB-CG2 4.42Å; L134-I149 HydrophobicContact CD1-CG2 4.46Å; L134-L150 HydrophobicContact CD1-CD1 4.47Å; L134-L150 HydrophobicContact CD1-CD2 4.29Å; L134-L150 HydrophobicContact CD1-CG 4.14Å; L134-L150 HydrophobicContact CD2-CD2 4.07Å; L134-Y165 HydrophobicContact CD2-CD2 4.26Å; L134-Y165 HydrophobicContact CD2-CE2 4.46Å; L134-Y165 HydrophobicContact CG-CD2 4.45Å; L134-Y165 HydrophobicContact CG-CE2 4.26Å; L134-F173 HydrophobicContact CD2-CB 4.43Å; L134-F173 HydrophobicContact CD2-CD1 4.16Å; L134-F173 HydrophobicContact CD2-CD2 4.22Å; L134-F173 HydrophobicContact CD2-CG 4.02Å
135Y96.4Very high96.1Very high63 Ų6327.8 Ų27.825%0.24714%0.143CC..Hα-helixtrans-61.4-51.5176.3175.8-97.8000111.3A131 D132 A137 I138 M139 Y165 Y168A131-Y135 WeakPolarHBondContact O-CB 3.19Å; A131-Y135 PolarHBondContact O-N 3.23Å; D132-Y135 CarbonylContact O-C 3.59Å; D132-Y135 WeakPolarHBondContact O-CA 3.49Å; D132-Y135 WeakPolarHBondContact O-CB 3.42Å; D132-Y135 PolarHBondContact O-N 2.88Å; Y135-A137 VanDerWaalsContact C-N 3.34Å; Y135-A137 PolarHBondContact O-N 3.38Å; Y135-I138 PolarHBondContact O-N 3.43Å; Y135-M139 HydrophobicContact CD1-CG 4.26Å; Y135-M139 HydrophobicContact CD2-CG 4.11Å; Y135-M139 HydrophobicContact CE1-CG 3.89Å; Y135-M139 HydrophobicContact CE2-CG 3.71Å; Y135-M139 HydrophobicContact CE2-SD 4.08Å; Y135-M139 HydrophobicContact CG-CG 4.35Å; Y135-M139 WeakPolarHBondContact O-CB 3.34Å; Y135-M139 VanDerWaalsContact O-CG 3.28Å; Y135-M139 WeakPolarHBondContact O-CG 3.42Å; Y135-M139 PolarHBondContact O-N 3.48Å; Y135-Y165 HydrophobicContact CD2-CE2 4.18Å; Y135-Y165 AromaticContact CD2-CZ 3.85Å; Y135-Y165 HydrophobicContact CG-CE2 4.42Å; Y135-Y168 HydrophobicContact CG-CG 4.35Å
136R95.1Very high96.2Very high70 Ų7027.1 Ų27.126%0.26414%0.139SC..Hα-helixtrans-55.4-48.4176.4-69.6176.169.3-114.5-1.9111.4D132 E133 I138 M139 S140 D312D132-R136 WeakPolarHBondContact O-CG 3.36Å; D132-R136 PolarHBondContact O-N 2.99Å; D132-R136 VanDerWaalsContact OD1-CD 3.28Å; D132-R136 WeakPolarHBondContact OD1-CD 3.42Å; D132-R136 WeakPolarHBondContact OD1-CG 3.45Å; E133-R136 IonicContact OE1-NH1 3.52Å; E133-R136 PolarHBondContact OE1-NH1 2.7Å; E133-R136 IonicContact OE2-NH1 2.79Å; E133-R136 PolarHBondContact OE2-NH1 2.78Å; R136-I138 PolarHBondContact O-N 3.39Å; R136-M139 PolarHBondContact O-N 2.76Å; R136-S140 WeakPolarHBondContact O-CB 3.48Å; R136-S140 PolarHBondContact O-N 2.75Å; R136-S140 PolarHBondContact O-OG 3.01Å; R136-D312 IonicContact CZ-OD1 2.65Å; R136-D312 IonicContact CZ-OD2 2.77Å; R136-D312 IonicContact NH1-OD1 2.91Å; R136-D312 IonicContact NH1-OD2 2.58Å; R136-D312 PolarHBondContact NH1-OD2 3.32Å; R136-D312 IonicContact NH2-OD1 3.18Å; R136-D312 PolarHBondContact NH2-OD1 3.03Å; R136-D312 VanDerWaalsContact NH2-OD1 3.12Å; R136-D312 IonicContact NH2-OD2 2.59Å; R136-D312 PolarHBondContact NH2-OD2 2.84Å
137A96.2Very high96.3Very high3 Ų326.7 Ų26.73%0.02514%0.137CC..Hα-helixtrans-61.4-42-179.800000113.1E133 L134 Y135 S140 S141 D142 R145E133-A137 VanDerWaalsContact O-CB 3.24Å; E133-A137 WeakPolarHBondContact O-CB 3.32Å; E133-A137 PolarHBondContact O-N 3.03Å; L134-A137 PolarHBondContact O-N 2.82Å; Y135-A137 VanDerWaalsContact C-N 3.34Å; Y135-A137 PolarHBondContact O-N 3.38Å; A137-S140 PolarHBondContact O-OG 2.89Å; A137-S141 PolarHBondContact O-N 3.09Å; A137-D142 PolarHBondContact O-N 2.9Å; A137-R145 HydrophobicContact CB-CB 3.8Å; A137-R145 HydrophobicContact CB-CG 3.66Å
138I97Very high96.4Very high0 Ų026 Ų260%013%0.132CC..Hα-helixtrans-70.2-44.6178.3-62.6161.8000110.2L134 Y135 R136 S140 S141 T146 Y165 F173 I177 H180 F181L134-I138 HydrophobicContact CD1-CD1 3.86Å; L134-I138 HydrophobicContact CD1-CG1 4.24Å; L134-I138 HydrophobicContact CG-CD1 3.83Å; L134-I138 WeakPolarHBondContact O-CD1 3.49Å; L134-I138 WeakPolarHBondContact O-CG1 3.43Å; L134-I138 PolarHBondContact O-N 2.74Å; Y135-I138 PolarHBondContact O-N 3.43Å; R136-I138 PolarHBondContact O-N 3.39Å; I138-S140 VanDerWaalsContact C-N 3.29Å; I138-S140 PolarHBondContact O-N 3.49Å; I138-S141 PolarHBondContact O-N 3.11Å; I138-T146 HydrophobicContact CG1-CG2 3.86Å; I138-Y165 HydrophobicContact CD1-CE2 4.39Å; I138-F173 HydrophobicContact CD1-CB 3.82Å; I138-I177 HydrophobicContact CD1-CD1 4.24Å; I138-I177 HydrophobicContact CD1-CG1 3.73Å; I138-I177 HydrophobicContact CG1-CG1 4.01Å; I138-H180 HydrophobicContact CG2-CB 4.26Å; I138-H180 PolarHBondContact O-CE1 3.43Å; I138-H180 PolarHBondContact O-ND1 3.19Å; I138-F181 HydrophobicContact CG1-CE2 4.43Å; I138-F181 HydrophobicContact CG2-CE2 4.28Å
139M95.1Very high96.5Very high74 Ų7425.7 Ų25.737%0.36513%0.13SC..Hα-helixtrans-66.1-30.9-178.2-67.7-58.796.800112.9Y135 R136 S141 H180Y135-M139 HydrophobicContact CD1-CG 4.26Å; Y135-M139 HydrophobicContact CD2-CG 4.11Å; Y135-M139 HydrophobicContact CE1-CG 3.89Å; Y135-M139 HydrophobicContact CE2-CG 3.71Å; Y135-M139 HydrophobicContact CE2-SD 4.08Å; Y135-M139 HydrophobicContact CG-CG 4.35Å; Y135-M139 WeakPolarHBondContact O-CB 3.34Å; Y135-M139 VanDerWaalsContact O-CG 3.28Å; Y135-M139 WeakPolarHBondContact O-CG 3.42Å; Y135-M139 PolarHBondContact O-N 3.48Å; R136-M139 PolarHBondContact O-N 2.76Å; M139-S141 VanDerWaalsContact C-N 3.26Å; M139-H180 WeakPolarHBondContact CE-NE2 3.15Å
140S94.7Very high96.6Very high79 Ų7925.6 Ų25.655%0.55213%0.13SC*.THydrogen-bonded Turntrans-83.31.9172.166.30000113.8R136 A137 I138 D142R136-S140 WeakPolarHBondContact O-CB 3.48Å; R136-S140 PolarHBondContact O-N 2.75Å; R136-S140 PolarHBondContact O-OG 3.01Å; A137-S140 PolarHBondContact O-OG 2.89Å; I138-S140 VanDerWaalsContact C-N 3.29Å; I138-S140 PolarHBondContact O-N 3.49Å; S140-D142 PolarHBondContact O-N 3.15Å
141S96.4Very high96.6Very high65 Ų6525.3 Ų25.346%0.45513%0.129SC..THydrogen-bonded Turntrans54.931.9-173.7-57.80000113.2A137 I138 M139 L143 H180 F181A137-S141 PolarHBondContact O-N 3.09Å; I138-S141 PolarHBondContact O-N 3.11Å; M139-S141 VanDerWaalsContact C-N 3.26Å; S141-L143 PolarHBondContact O-N 2.97Å; S141-H180 PolarHBondContact OG-ND1 3.18Å; S141-H180 VanDerWaalsContact OG-ND1 3.08Å; S141-F181 WeakPolarHBondContact O-CE1 3.34Å
142D95.9Very high96.6Very high45 Ų4525.8 Ų25.824%0.24113%0.131CC..  trans-83.289.3172.6-170.4-22.5000110.1A137 S140 R144 R145 T146A137-D142 PolarHBondContact O-N 2.9Å; S140-D142 PolarHBondContact O-N 3.15Å; D142-R144 PolarHBondContact O-N 2.93Å; D142-R144 WeakPolarHBondContact OD1-CB 3.23Å; D142-R144 PolarHBondContact OD1-N 3.23Å; D142-R145 HydrophobicContact CB-CB 4.08Å; D142-R145 VanDerWaalsContact CG-CB 3.43Å; D142-R145 PolarHBondContact OD1-N 3.48Å; D142-R145 WeakPolarHBondContact OD2-CB 3.44Å; D142-T146 WeakPolarHBondContact O-CB 3.3Å; D142-T146 PolarHBondContact O-N 3.4Å; D142-T146 PolarHBondContact O-OG1 3.08Å
143L97.6Very high96.7Very high14 Ų1425.9 Ų25.97%0.07313%0.131CC..Hα-helixtrans-63.1-32.8177.5-179.359000112.2S141 T147 F181 V185 L189 Q279 I283S141-L143 PolarHBondContact O-N 2.97Å; L143-T147 VanDerWaalsContact O-CB 3.24Å; L143-T147 WeakPolarHBondContact O-CB 3.3Å; L143-T147 PolarHBondContact O-N 3.39Å; L143-T147 PolarHBondContact O-OG1 3.27Å; L143-F181 HydrophobicContact CB-CD1 3.94Å; L143-F181 HydrophobicContact CB-CE1 3.63Å; L143-F181 HydrophobicContact CB-CZ 4.18Å; L143-F181 HydrophobicContact CD1-CD1 4.05Å; L143-F181 HydrophobicContact CD1-CD2 4.24Å; L143-F181 HydrophobicContact CD1-CE1 4.29Å; L143-F181 HydrophobicContact CD1-CE2 4.47Å; L143-F181 HydrophobicContact CD1-CG 4.02Å; L143-F181 HydrophobicContact CD1-CZ 4.49Å; L143-F181 HydrophobicContact CG-CD1 4.43Å; L143-V185 HydrophobicContact CD1-CG1 3.75Å; L143-L189 HydrophobicContact CD1-CD1 4.48Å; L143-Q279 HydrophobicContact CD2-CB 3.48Å; L143-Q279 VanDerWaalsContact CD2-CB 3.48Å; L143-Q279 HydrophobicContact CD2-CG 3.6Å; L143-I283 HydrophobicContact CD1-CD1 4.3Å; L143-I283 HydrophobicContact CD1-CG1 4.41Å; L143-I283 HydrophobicContact CD2-CD1 4.48Å; L143-I283 HydrophobicContact CD2-CG1 4.45Å
144R96.7Very high96.7Very high91 Ų9126 Ų2634%0.34313%0.132SC..Hα-helixtrans-67.7-47.6-176.9-178.1178.3175.6176.3-2.2110D142 T147 S148 L301 D304D142-R144 PolarHBondContact O-N 2.93Å; D142-R144 WeakPolarHBondContact OD1-CB 3.23Å; D142-R144 PolarHBondContact OD1-N 3.23Å; R144-T147 PolarHBondContact O-N 2.97Å; R144-S148 PolarHBondContact O-N 3.02Å; R144-L301 HydrophobicContact CG-CD2 4.14Å; R144-D304 IonicContact CZ-OD2 3.69Å; R144-D304 IonicContact NH1-OD2 2.75Å; R144-D304 PolarHBondContact NH1-OD2 3.47Å; R144-D304 IonicContact NH2-OD2 3.69Å; R144-D304 PolarHBondContact NH2-OD2 2.93Å
145R96.2Very high96.6Very high11 Ų1126.5 Ų26.54%0.04214%0.137CC..Hα-helixtrans-66.6-43.1175.8-170.573.8-179.2-152.510.4112E133 A137 D142 T147 S148 I149 G315 F319E133-R145 IonicContact OE1-CZ 3.24Å; E133-R145 IonicContact OE1-NE 3.03Å; E133-R145 PolarHBondContact OE1-NE 2.99Å; E133-R145 IonicContact OE1-NH1 3.9Å; E133-R145 IonicContact OE1-NH2 2.7Å; E133-R145 PolarHBondContact OE1-NH2 3.18Å; A137-R145 HydrophobicContact CB-CB 3.8Å; A137-R145 HydrophobicContact CB-CG 3.66Å; D142-R145 HydrophobicContact CB-CB 4.08Å; D142-R145 VanDerWaalsContact CG-CB 3.43Å; D142-R145 PolarHBondContact OD1-N 3.48Å; D142-R145 WeakPolarHBondContact OD2-CB 3.44Å; R145-T147 VanDerWaalsContact C-N 3.31Å; R145-T147 PolarHBondContact O-N 3.35Å; R145-S148 PolarHBondContact O-N 3.27Å; R145-S148 PolarHBondContact O-OG 3.41Å; R145-I149 HydrophobicContact CG-CD1 4.25Å; R145-I149 WeakPolarHBondContact O-CG1 3.41Å; R145-I149 PolarHBondContact O-N 2.99Å; R145-I149 VanDerWaalsContact O-N 3.17Å; R145-G315 PolarHBondContact NH1-O 3.46Å; R145-G315 VanDerWaalsContact NH1-O 3.15Å; R145-G315 PolarHBondContact NH2-O 2.77Å; R145-F319 VanDerWaalsContact CZ-CE2 3.45Å
146T97.9Very high96.5Very high0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-56.8-47174.8-59.20000110.8L134 I138 D142 L150 I177 F181L134-T146 HydrophobicContact CD1-CG2 3.98Å; I138-T146 HydrophobicContact CG1-CG2 3.86Å; D142-T146 WeakPolarHBondContact O-CB 3.3Å; D142-T146 PolarHBondContact O-N 3.4Å; D142-T146 PolarHBondContact O-OG1 3.08Å; T146-L150 HydrophobicContact CG2-CD1 4.03Å; T146-L150 WeakPolarHBondContact O-CG 3.45Å; T146-L150 PolarHBondContact O-N 3.3Å; T146-I177 HydrophobicContact CG2-CD1 4.17Å; T146-I177 HydrophobicContact CG2-CG1 4.24Å; T146-F181 HydrophobicContact CG2-CE2 4.2Å
147T98Very high96.5Very high3 Ų324.7 Ų24.72%0.01814%0.137CC..Hα-helixtrans-65.5-46178.6-57.60000111.1L143 R144 R145 I149 L150 I151 L189 I283 A286L143-T147 VanDerWaalsContact O-CB 3.24Å; L143-T147 WeakPolarHBondContact O-CB 3.3Å; L143-T147 PolarHBondContact O-N 3.39Å; L143-T147 PolarHBondContact O-OG1 3.27Å; R144-T147 PolarHBondContact O-N 2.97Å; R145-T147 VanDerWaalsContact C-N 3.31Å; R145-T147 PolarHBondContact O-N 3.35Å; T147-I149 PolarHBondContact O-N 3.29Å; T147-L150 PolarHBondContact O-N 2.93Å; T147-I151 HydrophobicContact CG2-CD1 4.37Å; T147-I151 HydrophobicContact CG2-CG2 3.83Å; T147-I151 VanDerWaalsContact O-CG1 3.3Å; T147-I151 WeakPolarHBondContact O-CG1 3.36Å; T147-I151 WeakPolarHBondContact O-CG2 3.36Å; T147-I151 PolarHBondContact O-N 2.99Å; T147-L189 HydrophobicContact CG2-CD2 4.12Å; T147-I283 HydrophobicContact CG2-CG1 4.36Å; T147-I283 HydrophobicContact CG2-CG2 4.35Å; T147-A286 HydrophobicContact CG2-CB 3.82Å
148S97.5Very high96.5Very high2 Ų224.7 Ų24.71%0.01414%0.136CC..Hα-helixtrans-62.4-29.9-176.271.90000113.6R144 R145 Y297R144-S148 PolarHBondContact O-N 3.02Å; R145-S148 PolarHBondContact O-N 3.27Å; R145-S148 PolarHBondContact O-OG 3.41Å; S148-Y297 WeakPolarHBondContact CA-OH 3.47Å; S148-Y297 VanDerWaalsContact CB-OH 3.23Å; S148-Y297 WeakPolarHBondContact CB-OH 3.42Å
149I97.7Very high96.3Very high7 Ų728.3 Ų28.34%0.03616%0.156CC..Hα-helixtrans-73.9-54.6174.6-64.6165.6000110.2L130 E133 L134 R145 T147 I151 D152 F153L130-I149 HydrophobicContact CD2-CG2 4.28Å; E133-I149 HydrophobicContact CB-CD1 4.04Å; E133-I149 HydrophobicContact CG-CD1 3.77Å; L134-I149 HydrophobicContact CB-CD1 4.33Å; L134-I149 HydrophobicContact CB-CG2 4.42Å; L134-I149 HydrophobicContact CD1-CG2 4.46Å; R145-I149 HydrophobicContact CG-CD1 4.25Å; R145-I149 WeakPolarHBondContact O-CG1 3.41Å; R145-I149 PolarHBondContact O-N 2.99Å; R145-I149 VanDerWaalsContact O-N 3.17Å; T147-I149 PolarHBondContact O-N 3.29Å; I149-I151 PolarHBondContact O-N 3.18Å; I149-D152 PolarHBondContact O-N 2.91Å; I149-F153 HydrophobicContact CG2-CE1 4.28Å; I149-F153 HydrophobicContact CG2-CE2 3.87Å; I149-F153 HydrophobicContact CG2-CZ 3.44Å; I149-F153 VanDerWaalsContact CG2-CZ 3.44Å
150L97.6Very high96.3Very high1 Ų127.6 Ų27.61%0.00515%0.151CC..Hα-helixtrans-65.3-35.5-173.9-68.1173.2000113.3L134 T146 T147 D152 F153 F173 I177 L189 V193L134-L150 HydrophobicContact CD1-CD1 4.47Å; L134-L150 HydrophobicContact CD1-CD2 4.29Å; L134-L150 HydrophobicContact CD1-CG 4.14Å; L134-L150 HydrophobicContact CD2-CD2 4.07Å; T146-L150 HydrophobicContact CG2-CD1 4.03Å; T146-L150 WeakPolarHBondContact O-CG 3.45Å; T146-L150 PolarHBondContact O-N 3.3Å; T147-L150 PolarHBondContact O-N 2.93Å; L150-D152 PolarHBondContact O-N 3.34Å; L150-F153 HydrophobicContact CD2-CD2 4.45Å; L150-F153 HydrophobicContact CD2-CE2 4.22Å; L150-F173 HydrophobicContact CD2-CE2 4.17Å; L150-I177 HydrophobicContact CD1-CD1 3.7Å; L150-L189 HydrophobicContact CD1-CB 4.31Å; L150-L189 HydrophobicContact CD1-CD1 4.07Å; L150-V193 HydrophobicContact CB-CG2 4.37Å; L150-V193 HydrophobicContact CD2-CG2 4.47Å
151I97Very high96.3Very high0 Ų023.9 Ų23.90%013%0.126CC..THydrogen-bonded Turntrans-77.42176.576.6177.5000113T147 I149 I192 R196 A286 Y290 Y297T147-I151 HydrophobicContact CG2-CD1 4.37Å; T147-I151 HydrophobicContact CG2-CG2 3.83Å; T147-I151 VanDerWaalsContact O-CG1 3.3Å; T147-I151 WeakPolarHBondContact O-CG1 3.36Å; T147-I151 WeakPolarHBondContact O-CG2 3.36Å; T147-I151 PolarHBondContact O-N 2.99Å; I149-I151 PolarHBondContact O-N 3.18Å; I151-I192 HydrophobicContact CG2-CD1 4.41Å; I151-I192 HydrophobicContact CG2-CG2 4.19Å; I151-R196 PolarHBondContact O-NH1 2.98Å; I151-R196 PolarHBondContact O-NH2 3.09Å; I151-A286 HydrophobicContact CD1-CB 4.11Å; I151-Y290 HydrophobicContact CD1-CD2 3.99Å; I151-Y290 HydrophobicContact CD1-CG 3.98Å; I151-Y290 HydrophobicContact CG1-CD2 4.01Å; I151-Y290 HydrophobicContact CG1-CE2 4.47Å; I151-Y290 HydrophobicContact CG1-CG 4.26Å; I151-Y297 HydrophobicContact CD1-CE1 4.14Å
152D96.9Very high96.2Very high9 Ų923.3 Ų23.35%0.04812%0.116CC..THydrogen-bonded Turntrans-108.811.1177.9-164.855.1000112.4R33 H37 I149 L150 Y290 F298 R323R33-D152 IonicContact CZ-OD2 2.76Å; R33-D152 IonicContact NH1-OD2 3.53Å; R33-D152 PolarHBondContact NH2-O 2.95Å; R33-D152 VanDerWaalsContact NH2-O 3.07Å; R33-D152 IonicContact NH2-OD1 3.31Å; R33-D152 IonicContact NH2-OD2 3.22Å; R33-D152 PolarHBondContact NH2-OD2 3.4Å; H37-D152 PolarHBondContact CE1-O 2.91Å; H37-D152 IonicContact ND1-OD1 3.15Å; H37-D152 PolarHBondContact NE2-O 3.05Å; I149-D152 PolarHBondContact O-N 2.91Å; L150-D152 PolarHBondContact O-N 3.34Å; D152-Y290 HydrophobicContact CB-CE2 4.06Å; D152-Y290 VanDerWaalsContact OD1-CE2 3.22Å; D152-Y290 WeakPolarHBondContact OD1-CE2 3.26Å; D152-Y290 PolarHBondContact OD1-OH 3.17Å; D152-F298 HydrophobicContact CB-CZ 4.15Å; D152-R323 VanDerWaalsContact CG-NH1 3.27Å; D152-R323 IonicContact OD1-NH1 2.97Å; D152-R323 PolarHBondContact OD1-NH1 3.37Å; D152-R323 IonicContact OD2-NH1 2.7Å; D152-R323 PolarHBondContact OD2-NH1 3.42Å
153F96.8Very high96.1Very high5 Ų525.9 Ų25.92%0.02213%0.129CC..  trans-96.6148.7174.4-60.8-34.7000113.2L130 I149 L150 E157 F158 V161L130-F153 HydrophobicContact CB-CZ 4.32Å; L130-F153 HydrophobicContact CD1-CE1 3.78Å; L130-F153 HydrophobicContact CD1-CZ 4.32Å; L130-F153 HydrophobicContact CD2-CE1 4.16Å; L130-F153 HydrophobicContact CD2-CZ 4.36Å; L130-F153 HydrophobicContact CG-CE1 4.41Å; I149-F153 HydrophobicContact CG2-CE1 4.28Å; I149-F153 HydrophobicContact CG2-CE2 3.87Å; I149-F153 HydrophobicContact CG2-CZ 3.44Å; I149-F153 VanDerWaalsContact CG2-CZ 3.44Å; L150-F153 HydrophobicContact CD2-CD2 4.45Å; L150-F153 HydrophobicContact CD2-CE2 4.22Å; F153-E157 WeakPolarHBondContact CA-OE2 3.25Å; F153-E157 HydrophobicContact CB-CB 4.4Å; F153-E157 HydrophobicContact CD1-CB 4.33Å; F153-F158 HydrophobicContact CB-CB 4.29Å; F153-F158 HydrophobicContact CD2-CB 4.42Å; F153-F158 HydrophobicContact CD2-CD2 4.17Å; F153-V161 HydrophobicContact CE1-CG2 4.09Å; F153-V161 HydrophobicContact CE2-CB 4.27Å; F153-V161 HydrophobicContact CE2-CG1 4.09Å; F153-V161 HydrophobicContact CE2-CG2 4.4Å; F153-V161 HydrophobicContact CZ-CB 4.14Å; F153-V161 HydrophobicContact CZ-CG1 3.91Å; F153-V161 HydrophobicContact CZ-CG2 3.82Å
154W96.4Very high95.9Very high3 Ų325.6 Ų25.61%0.01113%0.129CC..  trans-133154.1169.1-70.9115.3000111.2L36 H37 D156 E157 R196 E199 P200 D249 P250 F251L36-W154 HydrophobicContact CB-CD2 4.33Å; L36-W154 HydrophobicContact CB-CG 4.33Å; L36-W154 HydrophobicContact CB-CZ2 4.39Å; L36-W154 HydrophobicContact CD1-CD2 3.83Å; L36-W154 HydrophobicContact CD1-CE3 3.82Å; L36-W154 HydrophobicContact CD1-CG 4.26Å; L36-W154 HydrophobicContact CD1-CH2 4.22Å; L36-W154 HydrophobicContact CD1-CZ2 4.29Å; L36-W154 HydrophobicContact CD1-CZ3 4.02Å; H37-W154 AromaticContact CE1-CD1 3.06Å; H37-W154 AromaticContact CE1-NE1 3.64Å; H37-W154 AromaticContact ND1-CD1 3.54Å; H37-W154 AromaticContact ND1-NE1 3.77Å; H37-W154 AromaticContact NE2-CD1 3.45Å; W154-D156 PolarHBondContact O-N 3.47Å; W154-E157 PolarHBondContact N-OE2 3.07Å; W154-E157 WeakPolarHBondContact O-CB 3.33Å; W154-E157 VanDerWaalsContact O-CG 3.26Å; W154-E157 WeakPolarHBondContact O-CG 3.39Å; W154-E157 PolarHBondContact O-N 3.39Å; W154-E157 VanDerWaalsContact O-N 3.09Å; W154-R196 HydrophobicContact CD2-CB 4.48Å; W154-R196 HydrophobicContact CE3-CB 3.87Å; W154-R196 HydrophobicContact CE3-CG 4.16Å; W154-R196 HydrophobicContact CZ3-CB 4.22Å; W154-R196 HydrophobicContact CZ3-CG 4.1Å; W154-E199 HydrophobicContact CB-CG 4.25Å; W154-E199 WeakPolarHBondContact CB-OE1 3.35Å; W154-E199 HydrophobicContact CE3-CG 4.38Å; W154-P200 HydrophobicContact CH2-CG 4.36Å; W154-P200 HydrophobicContact CZ3-CG 4.34Å; W154-D249 HydrophobicContact CH2-CB 3.77Å; W154-D249 HydrophobicContact CZ3-CB 4.01Å; W154-P250 HydrophobicContact CH2-CG 4.24Å; W154-P250 HydrophobicContact CZ2-CB 4.45Å; W154-P250 HydrophobicContact CZ2-CG 3.84Å; W154-F251 AromaticContact CH2-CD2 3.91Å; W154-F251 HydrophobicContact CH2-CD2 3.91Å; W154-F251 AromaticContact CH2-CE2 3.67Å; W154-F251 HydrophobicContact CH2-CE2 3.67Å; W154-F251 HydrophobicContact CZ2-CD2 4.12Å; W154-F251 AromaticContact CZ2-CE2 3.51Å; W154-F251 HydrophobicContact CZ2-CE2 3.51Å; W154-F251 HydrophobicContact CZ2-CZ 4.21Å
155G95.6Very high95.9Very high11 Ų1121.4 Ų21.411%0.11311%0.113CC..THydrogen-bonded Turntrans56.6-131.9168.900000113.1E157 R196G155-E157 VanDerWaalsContact C-N 3.34Å; G155-R196 PolarHBondContact N-O 3.23Å
156D93.8Very high95.7Very high95 Ų9527.4 Ų27.451%0.50814%0.14SC..THydrogen-bonded Turntrans-82.9-5.6179.969.7-36.6000113.7W154 F158 D159 Q160W154-D156 PolarHBondContact O-N 3.47Å; D156-F158 PolarHBondContact O-N 3.17Å; D156-D159 PolarHBondContact O-N 3.47Å; D156-Q160 WeakPolarHBondContact O-CG 3.14Å; D156-Q160 PolarHBondContact O-N 3.34Å; D156-Q160 PolarHBondContact OD2-NE2 2.74Å
157E96.7Very high95.4Very high1 Ų130.1 Ų30.11%0.00515%0.154CC..Hα-helixtrans-54-40.2176.5-66.5177.6156.500110.9F31 R33 S34 H37 F153 W154 G155 Q160 V161F31-E157 HydrophobicContact CE2-CB 3.8Å; F31-E157 HydrophobicContact CE2-CG 4.05Å; F31-E157 HydrophobicContact CZ-CB 3.78Å; F31-E157 HydrophobicContact CZ-CG 3.86Å; R33-E157 WeakPolarHBondContact CA-OE1 3.21Å; R33-E157 WeakPolarHBondContact CD-OE1 3.48Å; R33-E157 IonicContact NE-OE1 3.43Å; R33-E157 PolarHBondContact NE-OE1 3.02Å; R33-E157 IonicContact NE-OE2 2.68Å; S34-E157 PolarHBondContact N-OE1 3.14Å; H37-E157 IonicContact CD2-OE1 2.85Å; H37-E157 PolarHBondContact CD2-OE1 3.4Å; H37-E157 IonicContact CD2-OE2 3.75Å; H37-E157 IonicContact CE1-OE2 3.65Å; H37-E157 VanDerWaalsContact NE2-CD 3.26Å; H37-E157 IonicContact NE2-OE1 3.83Å; H37-E157 PolarHBondContact NE2-OE1 3.3Å; H37-E157 IonicContact NE2-OE2 3.7Å; H37-E157 PolarHBondContact NE2-OE2 3.14Å; F153-E157 WeakPolarHBondContact CA-OE2 3.25Å; F153-E157 HydrophobicContact CB-CB 4.4Å; F153-E157 HydrophobicContact CD1-CB 4.33Å; W154-E157 PolarHBondContact N-OE2 3.07Å; W154-E157 WeakPolarHBondContact O-CB 3.33Å; W154-E157 VanDerWaalsContact O-CG 3.26Å; W154-E157 WeakPolarHBondContact O-CG 3.39Å; W154-E157 PolarHBondContact O-N 3.39Å; W154-E157 VanDerWaalsContact O-N 3.09Å; G155-E157 VanDerWaalsContact C-N 3.34Å; E157-Q160 PolarHBondContact O-N 3.08Å; E157-V161 WeakPolarHBondContact O-CG2 3.44Å; E157-V161 PolarHBondContact O-N 2.94Å
158F94.2Very high95.1Very high3 Ų331.3 Ų31.31%0.01316%0.158CC..Hα-helixtrans-62-47.6177.4172-90.4000112.1F153 D156 Q160 V161 E162 F173 W174 V193F153-F158 HydrophobicContact CB-CB 4.29Å; F153-F158 HydrophobicContact CD2-CB 4.42Å; F153-F158 HydrophobicContact CD2-CD2 4.17Å; D156-F158 PolarHBondContact O-N 3.17Å; F158-Q160 VanDerWaalsContact C-N 3.29Å; F158-Q160 PolarHBondContact O-N 2.84Å; F158-V161 PolarHBondContact O-N 3.39Å; F158-E162 HydrophobicContact CE1-CB 4.35Å; F158-E162 VanDerWaalsContact CE1-OE2 3.27Å; F158-E162 WeakPolarHBondContact CE1-OE2 3.43Å; F158-E162 WeakPolarHBondContact O-CB 3.47Å; F158-E162 PolarHBondContact O-N 2.93Å; F158-F173 HydrophobicContact CD2-CZ 4.48Å; F158-F173 HydrophobicContact CE2-CE1 4.33Å; F158-F173 HydrophobicContact CE2-CE2 4.06Å; F158-F173 AromaticContact CE2-CZ 3.37Å; F158-F173 HydrophobicContact CE2-CZ 3.37Å; F158-F173 HydrophobicContact CZ-CE1 4.31Å; F158-F173 HydrophobicContact CZ-CE2 4.31Å; F158-F173 AromaticContact CZ-CZ 3.46Å; F158-F173 HydrophobicContact CZ-CZ 3.46Å; F158-F173 VanDerWaalsContact CZ-CZ 3.46Å; F158-W174 HydrophobicContact CE2-CH2 4.2Å; F158-W174 AromaticContact CE2-CZ2 3.46Å; F158-W174 HydrophobicContact CE2-CZ2 3.46Å; F158-W174 VanDerWaalsContact CE2-CZ2 3.46Å; F158-W174 AromaticContact CZ-CE2 3.74Å; F158-W174 HydrophobicContact CZ-CH2 4.47Å; F158-W174 AromaticContact CZ-CZ2 3.36Å; F158-W174 HydrophobicContact CZ-CZ2 3.36Å; F158-W174 AromaticContact CZ-NE1 3.61Å; F158-V193 HydrophobicContact CB-CG1 4.28Å; F158-V193 HydrophobicContact CD1-CG1 3.91Å; F158-V193 HydrophobicContact CD2-CB 4.26Å; F158-V193 HydrophobicContact CD2-CG1 3.24Å; F158-V193 HydrophobicContact CD2-CG2 3.99Å; F158-V193 HydrophobicContact CE1-CG1 4.03Å; F158-V193 HydrophobicContact CE2-CB 4.23Å; F158-V193 HydrophobicContact CE2-CG1 3.35Å; F158-V193 HydrophobicContact CE2-CG2 3.99Å; F158-V193 HydrophobicContact CG-CG1 3.51Å; F158-V193 HydrophobicContact CZ-CG1 3.75Å
159D93.5Very high94.8Very high76 Ų7632.3 Ų32.341%0.40617%0.165SC..Hα-helixtrans-67.3-35-177.3-63.9-32.9000110.5D156 N163 K197D156-D159 PolarHBondContact O-N 3.47Å; D159-N163 WeakPolarHBondContact O-CB 3.37Å; D159-N163 PolarHBondContact O-N 3Å; D159-K197 WeakPolarHBondContact OD1-CE 3.45Å; D159-K197 IonicContact OD1-NZ 3.36Å; D159-K197 PolarHBondContact OD1-NZ 3.23Å
160Q94.7Very high94.5Very high58 Ų5839.4 Ų39.427%0.27121%0.208SC..Hα-helixtrans-64.7-46.2174-67.3-176.65800111.8F31 D156 E157 F158 N163 A164F31-Q160 HydrophobicContact CD2-CB 4.03Å; F31-Q160 HydrophobicContact CE2-CB 4.15Å; D156-Q160 WeakPolarHBondContact O-CG 3.14Å; D156-Q160 PolarHBondContact O-N 3.34Å; D156-Q160 PolarHBondContact OD2-NE2 2.74Å; E157-Q160 PolarHBondContact O-N 3.08Å; F158-Q160 VanDerWaalsContact C-N 3.29Å; F158-Q160 PolarHBondContact O-N 2.84Å; Q160-N163 PolarHBondContact O-N 2.87Å; Q160-A164 PolarHBondContact O-N 3.11Å
161V95.7Very high94.3Very high2 Ų242.9 Ų42.91%0.01223%0.225CC..Hα-helixtrans-68.6-39.5176.9174.80000111.5F31 L130 A131 F153 E157 F158 N163 A164 Y165F31-V161 HydrophobicContact CE2-CG2 4.1Å; F31-V161 HydrophobicContact CZ-CG2 4.26Å; L130-V161 HydrophobicContact CB-CG1 4.19Å; L130-V161 HydrophobicContact CB-CG2 3.96Å; L130-V161 HydrophobicContact CD1-CG2 4.07Å; A131-V161 HydrophobicContact CB-CG1 4.14Å; F153-V161 HydrophobicContact CE1-CG2 4.09Å; F153-V161 HydrophobicContact CE2-CB 4.27Å; F153-V161 HydrophobicContact CE2-CG1 4.09Å; F153-V161 HydrophobicContact CE2-CG2 4.4Å; F153-V161 HydrophobicContact CZ-CB 4.14Å; F153-V161 HydrophobicContact CZ-CG1 3.91Å; F153-V161 HydrophobicContact CZ-CG2 3.82Å; E157-V161 WeakPolarHBondContact O-CG2 3.44Å; E157-V161 PolarHBondContact O-N 2.94Å; F158-V161 PolarHBondContact O-N 3.39Å; V161-N163 VanDerWaalsContact C-N 3.28Å; V161-N163 PolarHBondContact O-N 2.96Å; V161-A164 PolarHBondContact O-N 2.87Å; V161-Y165 PolarHBondContact O-N 2.81Å
162E94.6Very high94.1Very high53 Ų5345.7 Ų45.725%0.24824%0.244CC..Hα-helixtrans-60.2-40.4174.1-180164.7-140.400111.3F158 Y165 F173F158-E162 HydrophobicContact CE1-CB 4.35Å; F158-E162 VanDerWaalsContact CE1-OE2 3.27Å; F158-E162 WeakPolarHBondContact CE1-OE2 3.43Å; F158-E162 WeakPolarHBondContact O-CB 3.47Å; F158-E162 PolarHBondContact O-N 2.93Å; E162-Y165 WeakPolarHBondContact O-CB 3.41Å; E162-Y165 PolarHBondContact O-N 3.11Å; E162-F173 HydrophobicContact CB-CE1 3.71Å; E162-F173 HydrophobicContact CB-CZ 4.45Å; E162-F173 HydrophobicContact CG-CD1 4.43Å; E162-F173 HydrophobicContact CG-CE1 3.65Å; E162-F173 HydrophobicContact CG-CZ 4.44Å
163N93.6Very high94Very high98 Ų9845.4 Ų45.452%0.52424%0.242SC..Hα-helixtrans-67.9-39.3175.4-169.558.8000112.3D159 Q160 V161 Y165 K166D159-N163 WeakPolarHBondContact O-CB 3.37Å; D159-N163 PolarHBondContact O-N 3Å; Q160-N163 PolarHBondContact O-N 2.87Å; V161-N163 VanDerWaalsContact C-N 3.28Å; V161-N163 PolarHBondContact O-N 2.96Å; N163-Y165 VanDerWaalsContact C-N 3.34Å; N163-K166 WeakPolarHBondContact O-CB 3.39Å; N163-K166 PolarHBondContact O-N 3.04Å; N163-K166 PolarHBondContact OD1-NZ 3.37Å
164A93.7Very high94.1Very high9 Ų946 Ų467%0.07425%0.245CC..Hα-helixtrans-67.1-32.5175.100000112.6I128 A131 Q160 V161 K166 I167I128-A164 HydrophobicContact CG1-CB 4.21Å; A131-A164 HydrophobicContact CB-CB 3.74Å; Q160-A164 PolarHBondContact O-N 3.11Å; V161-A164 PolarHBondContact O-N 2.87Å; A164-K166 PolarHBondContact O-N 2.9Å; A164-I167 VanDerWaalsContact O-CB 3.24Å; A164-I167 WeakPolarHBondContact O-CB 3.22Å; A164-I167 WeakPolarHBondContact O-CD1 3.46Å; A164-I167 VanDerWaalsContact O-CG1 3.26Å; A164-I167 WeakPolarHBondContact O-CG1 3.35Å; A164-I167 PolarHBondContact O-N 3.24Å
165Y95Very high94.1Very high3 Ų351.1 Ų51.11%0.01227%0.267CS..Hα-helixtrans-57-26.6178.1-169.6-90.8000113.7L134 Y135 I138 V161 E162 N163 I167 Y168 S169 F173L134-Y165 HydrophobicContact CD2-CD2 4.26Å; L134-Y165 HydrophobicContact CD2-CE2 4.46Å; L134-Y165 HydrophobicContact CG-CD2 4.45Å; L134-Y165 HydrophobicContact CG-CE2 4.26Å; Y135-Y165 HydrophobicContact CD2-CE2 4.18Å; Y135-Y165 AromaticContact CD2-CZ 3.85Å; Y135-Y165 HydrophobicContact CG-CE2 4.42Å; I138-Y165 HydrophobicContact CD1-CE2 4.39Å; V161-Y165 PolarHBondContact O-N 2.81Å; E162-Y165 WeakPolarHBondContact O-CB 3.41Å; E162-Y165 PolarHBondContact O-N 3.11Å; N163-Y165 VanDerWaalsContact C-N 3.34Å; Y165-I167 PolarHBondContact O-N 3.44Å; Y165-I167 VanDerWaalsContact O-N 3.09Å; Y165-Y168 PolarHBondContact O-N 3.39Å; Y165-S169 PolarHBondContact O-N 2.99Å; Y165-F173 HydrophobicContact CD1-CB 3.84Å; Y165-F173 HydrophobicContact CD1-CD1 4.11Å; Y165-F173 HydrophobicContact CD2-CB 4Å; Y165-F173 HydrophobicContact CD2-CD1 4.22Å; Y165-F173 HydrophobicContact CE1-CB 3.44Å; Y165-F173 VanDerWaalsContact CE1-CB 3.44Å; Y165-F173 HydrophobicContact CE2-CB 3.6Å; Y165-F173 HydrophobicContact CG-CB 4.1Å; Y165-F173 AromaticContact CG-CD1 3.92Å; Y165-F173 HydrophobicContact CG-CD1 3.92Å
166K93.3Very high94.2Very high137 Ų13750.8 Ų50.860%0.59626%0.263SS*.THydrogen-bonded Turntrans-60.8-17.5176.6-60.8173.9-172.6163.10113.6N163 A164 Y168 S169N163-K166 WeakPolarHBondContact O-CB 3.39Å; N163-K166 PolarHBondContact O-N 3.04Å; N163-K166 PolarHBondContact OD1-NZ 3.37Å; A164-K166 PolarHBondContact O-N 2.9Å; K166-Y168 VanDerWaalsContact C-N 3.3Å; K166-S169 WeakPolarHBondContact CA-O 3.44Å
167I91.1Very high94.3Very high57 Ų5746.2 Ų46.229%0.29224%0.239SC..THydrogen-bonded Turntrans-61.8-40.6171.9-69.6164.3000110.9L13 I17 I128 A164 Y165L13-I167 HydrophobicContact CD2-CG2 3.76Å; L13-I167 HydrophobicContact CG-CG2 4.2Å; I17-I167 HydrophobicContact CD1-CB 4.43Å; I17-I167 HydrophobicContact CD1-CD1 4.09Å; I17-I167 HydrophobicContact CD1-CG1 4.25Å; I17-I167 HydrophobicContact CD1-CG2 3.34Å; I128-I167 HydrophobicContact CD1-CD1 4.42Å; I128-I167 HydrophobicContact CG1-CD1 4.21Å; I128-I167 HydrophobicContact CG2-CD1 4.1Å; A164-I167 VanDerWaalsContact O-CB 3.24Å; A164-I167 WeakPolarHBondContact O-CB 3.22Å; A164-I167 WeakPolarHBondContact O-CD1 3.46Å; A164-I167 VanDerWaalsContact O-CG1 3.26Å; A164-I167 WeakPolarHBondContact O-CG1 3.35Å; A164-I167 PolarHBondContact O-N 3.24Å; Y165-I167 PolarHBondContact O-N 3.44Å; Y165-I167 VanDerWaalsContact O-N 3.09Å
168Y91.6Very high94.4Very high28 Ų2849.4 Ų49.411%0.1125%0.253CS..THydrogen-bonded Turntrans-99.5-22.8-169.8-54.6-68.8000113.2H10 L13 I128 A131 D132 Y135 Y165 K166H10-Y168 AromaticContact CD2-CD1 3.94Å; H10-Y168 AromaticContact CD2-CE1 3.75Å; H10-Y168 AromaticContact NE2-CD1 3.65Å; H10-Y168 AromaticContact NE2-CE1 3.09Å; H10-Y168 WeakPolarHBondContact NE2-CE1 3.48Å; H10-Y168 AromaticContact NE2-CZ 3.87Å; L13-Y168 HydrophobicContact CD2-CD1 4.27Å; L13-Y168 HydrophobicContact CD2-CE1 4.33Å; I128-Y168 WeakPolarHBondContact CG2-OH 3.27Å; A131-Y168 HydrophobicContact CB-CD2 4.39Å; A131-Y168 HydrophobicContact CB-CE2 4.14Å; D132-Y168 HydrophobicContact CB-CD2 4.49Å; D132-Y168 HydrophobicContact CB-CE1 4.26Å; D132-Y168 HydrophobicContact CB-CE2 3.73Å; Y135-Y168 HydrophobicContact CG-CG 4.35Å; Y165-Y168 PolarHBondContact O-N 3.39Å; K166-Y168 VanDerWaalsContact C-N 3.3Å
169S91.5Very high94.6Very high22 Ų2257 Ų5715%0.15429%0.286CS..  trans-148.4135.6-177.2172.80000111.9Y165 K166 E171Y165-S169 PolarHBondContact O-N 2.99Å; K166-S169 WeakPolarHBondContact CA-O 3.44Å; S169-E171 VanDerWaalsContact C-N 3.29Å; S169-E171 PolarHBondContact OG-N 3.04Å; S169-E171 PolarHBondContact OG-O 3.14Å
170V91.7Very high94.8Very high157 Ų15755.7 Ų55.795%0.95228%0.278SS*.SBendtrans-70.8-29.9169.2-1780000111
171E92.5Very high94.9Very high74 Ų7453.6 Ų53.635%0.34627%0.268SS..SBendtrans-80.8140.3175.8-57.4-164.6142.700110.5S169 F173 K175S169-E171 VanDerWaalsContact C-N 3.29Å; S169-E171 PolarHBondContact OG-N 3.04Å; S169-E171 PolarHBondContact OG-O 3.14Å; E171-F173 PolarHBondContact O-N 3.09Å; E171-K175 HydrophobicContact CB-CD 4.3Å; E171-K175 HydrophobicContact CG-CD 4.31Å; E171-K175 WeakPolarHBondContact OE1-CE 3.39Å; E171-K175 IonicContact OE1-NZ 3.89Å; E171-K175 PolarHBondContact OE1-NZ 3Å
172S94Very high95Very high59 Ų5954.9 Ų54.941%0.41328%0.281SS..  trans-54.913916964.60000110W174 K175 S176S172-W174 PolarHBondContact O-N 3.17Å; S172-W174 VanDerWaalsContact O-N 3.07Å; S172-K175 WeakPolarHBondContact O-CB 3.14Å; S172-K175 PolarHBondContact O-N 3.27Å; S172-K175 PolarHBondContact OG-N 2.91Å; S172-S176 PolarHBondContact O-N 3.3Å
173F94.8Very high95.1Very high2 Ų259.3 Ų59.31%0.00930%0.3CS..Hα-helixtrans-59.7-24.5176.364.3-99.9000112.3L134 I138 L150 F158 E162 Y165 E171 K175 S176 I177L134-F173 HydrophobicContact CD2-CB 4.43Å; L134-F173 HydrophobicContact CD2-CD1 4.16Å; L134-F173 HydrophobicContact CD2-CD2 4.22Å; L134-F173 HydrophobicContact CD2-CG 4.02Å; I138-F173 HydrophobicContact CD1-CB 3.82Å; L150-F173 HydrophobicContact CD2-CE2 4.17Å; F158-F173 HydrophobicContact CD2-CZ 4.48Å; F158-F173 HydrophobicContact CE2-CE1 4.33Å; F158-F173 HydrophobicContact CE2-CE2 4.06Å; F158-F173 AromaticContact CE2-CZ 3.37Å; F158-F173 HydrophobicContact CE2-CZ 3.37Å; F158-F173 HydrophobicContact CZ-CE1 4.31Å; F158-F173 HydrophobicContact CZ-CE2 4.31Å; F158-F173 AromaticContact CZ-CZ 3.46Å; F158-F173 HydrophobicContact CZ-CZ 3.46Å; F158-F173 VanDerWaalsContact CZ-CZ 3.46Å; E162-F173 HydrophobicContact CB-CE1 3.71Å; E162-F173 HydrophobicContact CB-CZ 4.45Å; E162-F173 HydrophobicContact CG-CD1 4.43Å; E162-F173 HydrophobicContact CG-CE1 3.65Å; E162-F173 HydrophobicContact CG-CZ 4.44Å; Y165-F173 HydrophobicContact CD1-CB 3.84Å; Y165-F173 HydrophobicContact CD1-CD1 4.11Å; Y165-F173 HydrophobicContact CD2-CB 4Å; Y165-F173 HydrophobicContact CD2-CD1 4.22Å; Y165-F173 HydrophobicContact CE1-CB 3.44Å; Y165-F173 VanDerWaalsContact CE1-CB 3.44Å; Y165-F173 HydrophobicContact CE2-CB 3.6Å; Y165-F173 HydrophobicContact CG-CB 4.1Å; Y165-F173 AromaticContact CG-CD1 3.92Å; Y165-F173 HydrophobicContact CG-CD1 3.92Å; E171-F173 PolarHBondContact O-N 3.09Å; F173-K175 VanDerWaalsContact C-N 3.29Å; F173-K175 PolarHBondContact O-N 2.92Å; F173-S176 CarbonylContact O-C 3.46Å; F173-S176 WeakPolarHBondContact O-CA 3.36Å; F173-S176 WeakPolarHBondContact O-CB 3.46Å; F173-S176 PolarHBondContact O-N 3.1Å; F173-S176 VanDerWaalsContact O-N 3.14Å; F173-I177 HydrophobicContact CD2-CD1 3.74Å; F173-I177 HydrophobicContact CE2-CD1 4.32Å; F173-I177 WeakPolarHBondContact O-CB 3.37Å; F173-I177 VanDerWaalsContact O-CG1 3.27Å; F173-I177 WeakPolarHBondContact O-CG1 3.4Å; F173-I177 PolarHBondContact O-N 3.15Å
174W97.1Very high95.1Very high19 Ų1956.5 Ų56.57%0.07229%0.288CS..Hα-helixtrans-59.4-39.4172.7-66.5122.3000113.2F158 S172 I177 E178 K186 L189 H190 V193F158-W174 HydrophobicContact CE2-CH2 4.2Å; F158-W174 AromaticContact CE2-CZ2 3.46Å; F158-W174 HydrophobicContact CE2-CZ2 3.46Å; F158-W174 VanDerWaalsContact CE2-CZ2 3.46Å; F158-W174 AromaticContact CZ-CE2 3.74Å; F158-W174 HydrophobicContact CZ-CH2 4.47Å; F158-W174 AromaticContact CZ-CZ2 3.36Å; F158-W174 HydrophobicContact CZ-CZ2 3.36Å; F158-W174 AromaticContact CZ-NE1 3.61Å; S172-W174 PolarHBondContact O-N 3.17Å; S172-W174 VanDerWaalsContact O-N 3.07Å; W174-I177 HydrophobicContact CE3-CD1 3.96Å; W174-I177 HydrophobicContact CZ3-CD1 4.07Å; W174-E178 PolarHBondContact O-N 3.03Å; W174-K186 HydrophobicContact CE3-CG 4.19Å; W174-K186 WeakPolarHBondContact O-CD 3.32Å; W174-L189 HydrophobicContact CZ3-CB 4.13Å; W174-H190 AromaticContact CD2-CD2 3.79Å; W174-H190 AromaticContact CE2-CD2 3.51Å; W174-H190 HydrophobicContact CE3-CB 4.18Å; W174-H190 HydrophobicContact CH2-CB 3.87Å; W174-H190 HydrophobicContact CZ2-CB 4.26Å; W174-H190 AromaticContact CZ2-CD2 3.69Å; W174-H190 HydrophobicContact CZ3-CB 3.81Å; W174-H190 AromaticContact NE1-CD2 3.88Å; W174-V193 HydrophobicContact CH2-CB 4.17Å; W174-V193 HydrophobicContact CH2-CG2 3.86Å; W174-V193 HydrophobicContact CZ2-CB 4.32Å; W174-V193 HydrophobicContact CZ2-CG1 4.3Å; W174-V193 HydrophobicContact CZ2-CG2 4.31Å
175K97.2Very high95.3Very high109 Ų10956.2 Ų56.247%0.47429%0.285SS..Hα-helixtrans-67.6-41.5174-169.9-178.7178.5-167.10110.3E171 S172 F173 E178 K179E171-K175 HydrophobicContact CB-CD 4.3Å; E171-K175 HydrophobicContact CG-CD 4.31Å; E171-K175 WeakPolarHBondContact OE1-CE 3.39Å; E171-K175 IonicContact OE1-NZ 3.89Å; E171-K175 PolarHBondContact OE1-NZ 3Å; S172-K175 WeakPolarHBondContact O-CB 3.14Å; S172-K175 PolarHBondContact O-N 3.27Å; S172-K175 PolarHBondContact OG-N 2.91Å; F173-K175 VanDerWaalsContact C-N 3.29Å; F173-K175 PolarHBondContact O-N 2.92Å; K175-E178 PolarHBondContact O-N 3Å; K175-K179 WeakPolarHBondContact O-CB 3.48Å; K175-K179 PolarHBondContact O-N 2.86Å
176S96.8Very high95.4Very high4 Ų458.8 Ų58.83%0.02830%0.297CS..Hα-helixtrans-61.1-44.7174.2-50.20000111.9S172 F173 E178 K179 H180S172-S176 PolarHBondContact O-N 3.3Å; F173-S176 CarbonylContact O-C 3.46Å; F173-S176 WeakPolarHBondContact O-CA 3.36Å; F173-S176 WeakPolarHBondContact O-CB 3.46Å; F173-S176 PolarHBondContact O-N 3.1Å; F173-S176 VanDerWaalsContact O-N 3.14Å; S176-E178 PolarHBondContact O-N 2.85Å; S176-K179 PolarHBondContact O-N 3.32Å; S176-H180 PolarHBondContact O-CD2 2.95Å; S176-H180 VanDerWaalsContact O-CD2 3.23Å; S176-H180 PolarHBondContact O-N 3.04Å
177I97.9Very high95.6Very high0 Ų055 Ų550%029%0.287CS..Hα-helixtrans-61-45176.2-71.5172.1000110.6I138 T146 L150 F173 W174 K179 H180 F181 V185 K186 L189I138-I177 HydrophobicContact CD1-CD1 4.24Å; I138-I177 HydrophobicContact CD1-CG1 3.73Å; I138-I177 HydrophobicContact CG1-CG1 4.01Å; T146-I177 HydrophobicContact CG2-CD1 4.17Å; T146-I177 HydrophobicContact CG2-CG1 4.24Å; L150-I177 HydrophobicContact CD1-CD1 3.7Å; F173-I177 HydrophobicContact CD2-CD1 3.74Å; F173-I177 HydrophobicContact CE2-CD1 4.32Å; F173-I177 WeakPolarHBondContact O-CB 3.37Å; F173-I177 VanDerWaalsContact O-CG1 3.27Å; F173-I177 WeakPolarHBondContact O-CG1 3.4Å; F173-I177 PolarHBondContact O-N 3.15Å; W174-I177 HydrophobicContact CE3-CD1 3.96Å; W174-I177 HydrophobicContact CZ3-CD1 4.07Å; I177-K179 VanDerWaalsContact C-N 3.32Å; I177-K179 PolarHBondContact O-N 2.76Å; I177-H180 PolarHBondContact O-N 2.99Å; I177-F181 HydrophobicContact CB-CD2 4.39Å; I177-F181 HydrophobicContact CG2-CD2 4.06Å; I177-F181 WeakPolarHBondContact O-CA 3.38Å; I177-F181 WeakPolarHBondContact O-CB 3.19Å; I177-F181 PolarHBondContact O-N 2.91Å; I177-V185 HydrophobicContact CG2-CG1 4.24Å; I177-K186 HydrophobicContact CG2-CB 3.91Å; I177-L189 HydrophobicContact CG2-CD1 4.19Å
178E98.2Very high95.9Very high68 Ų6852.4 Ų52.432%0.31827%0.274SS..Hα-helixtrans-64.7-36.8177175.1165.3-163.900112.6W174 K175 S176 G182 K183 K186W174-E178 PolarHBondContact O-N 3.03Å; K175-E178 PolarHBondContact O-N 3Å; S176-E178 PolarHBondContact O-N 2.85Å; E178-G182 WeakPolarHBondContact O-CA 3.33Å; E178-G182 PolarHBondContact O-N 2.98Å; E178-K183 HydrophobicContact CG-CB 4.47Å; E178-K186 HydrophobicContact CB-CB 4.1Å; E178-K186 HydrophobicContact CB-CD 3.67Å; E178-K186 HydrophobicContact CB-CG 4.4Å; E178-K186 HydrophobicContact CG-CD 4.34Å; E178-K186 WeakPolarHBondContact OE2-CD 3.43Å; E178-K186 IonicContact OE2-NZ 2.63Å; E178-K186 PolarHBondContact OE2-NZ 3.14Å
179K97.5Very high96.2Very high162 Ų16251.1 Ų51.170%0.70427%0.269SS*.Hα-helixtrans-66.3-41.9175.5-178.5-175.8175.3-171.20112.6K175 S176 I177K175-K179 WeakPolarHBondContact O-CB 3.48Å; K175-K179 PolarHBondContact O-N 2.86Å; S176-K179 PolarHBondContact O-N 3.32Å; I177-K179 VanDerWaalsContact C-N 3.32Å; I177-K179 PolarHBondContact O-N 2.76Å
180H97.5Very high96.4Very high49 Ų4953.2 Ų53.223%0.22728%0.276CS..Hα-helixtrans-88.9-30.9-174.4-77.2-105.3000113.9I138 M139 S141 S176 I177I138-H180 HydrophobicContact CG2-CB 4.26Å; I138-H180 PolarHBondContact O-CE1 3.43Å; I138-H180 PolarHBondContact O-ND1 3.19Å; M139-H180 WeakPolarHBondContact CE-NE2 3.15Å; S141-H180 PolarHBondContact OG-ND1 3.18Å; S141-H180 VanDerWaalsContact OG-ND1 3.08Å; S176-H180 PolarHBondContact O-CD2 2.95Å; S176-H180 VanDerWaalsContact O-CD2 3.23Å; S176-H180 PolarHBondContact O-N 3.04Å; I177-H180 PolarHBondContact O-N 2.99Å
181F97.7Very high96.7Very high13 Ų1347.4 Ų47.46%0.05724%0.242CC..Hα-helixtrans-126-3.4-173.2-49.6-66000114I138 S141 L143 T146 I177 V185 Q279I138-F181 HydrophobicContact CG1-CE2 4.43Å; I138-F181 HydrophobicContact CG2-CE2 4.28Å; S141-F181 WeakPolarHBondContact O-CE1 3.34Å; L143-F181 HydrophobicContact CB-CD1 3.94Å; L143-F181 HydrophobicContact CB-CE1 3.63Å; L143-F181 HydrophobicContact CB-CZ 4.18Å; L143-F181 HydrophobicContact CD1-CD1 4.05Å; L143-F181 HydrophobicContact CD1-CD2 4.24Å; L143-F181 HydrophobicContact CD1-CE1 4.29Å; L143-F181 HydrophobicContact CD1-CE2 4.47Å; L143-F181 HydrophobicContact CD1-CG 4.02Å; L143-F181 HydrophobicContact CD1-CZ 4.49Å; L143-F181 HydrophobicContact CG-CD1 4.43Å; T146-F181 HydrophobicContact CG2-CE2 4.2Å; I177-F181 HydrophobicContact CB-CD2 4.39Å; I177-F181 HydrophobicContact CG2-CD2 4.06Å; I177-F181 WeakPolarHBondContact O-CA 3.38Å; I177-F181 WeakPolarHBondContact O-CB 3.19Å; I177-F181 PolarHBondContact O-N 2.91Å; F181-V185 HydrophobicContact CB-CB 3.79Å; F181-V185 HydrophobicContact CB-CG1 3.54Å; F181-V185 HydrophobicContact CB-CG2 4.13Å; F181-V185 HydrophobicContact CG-CG1 4.26Å; F181-V185 WeakPolarHBondContact O-CG2 3.47Å; F181-Q279 PolarHBondContact O-OE1 3.41Å; F181-Q279 VanDerWaalsContact O-OE1 3.11Å
182G97.1Very high96.9Very high29 Ų2944 Ų4430%0.29923%0.226SC..Hα-helixtrans84.2165.4178.200000114.8E178 S184 V185 K186E178-G182 WeakPolarHBondContact O-CA 3.33Å; E178-G182 PolarHBondContact O-N 2.98Å; G182-S184 VanDerWaalsContact C-N 3.33Å; G182-S184 PolarHBondContact O-N 3.45Å; G182-V185 PolarHBondContact O-N 2.66Å; G182-K186 PolarHBondContact O-N 3.17Å; G182-K186 VanDerWaalsContact O-N 3.17Å
183K96.6Very high97.1Very high146 Ų14641.4 Ų41.464%0.63521%0.208SC*.Hα-helixtrans-61.6-36.3-173.4-176.9175.6179.6177.30113.9E178 S187E178-K183 HydrophobicContact CG-CB 4.47Å; K183-S187 WeakPolarHBondContact O-CB 3.39Å; K183-S187 PolarHBondContact O-N 2.82Å; K183-S187 PolarHBondContact O-OG 3.47Å
184S94.9Very high97.1Very high40 Ų4044.8 Ų44.828%0.2822%0.224SC..Hα-helixtrans-64.7-46.5-179.2165.70000111.8G182 S187 T188 Q239 L280G182-S184 VanDerWaalsContact C-N 3.33Å; G182-S184 PolarHBondContact O-N 3.45Å; S184-S187 PolarHBondContact O-N 3.45Å; S184-T188 PolarHBondContact O-N 2.65Å; S184-T188 PolarHBondContact O-OG1 3.28Å; S184-Q239 PolarHBondContact OG-OE1 3.21Å; S184-L280 WeakPolarHBondContact OG-CD1 3.42Å
185V96.9Very high97.1Very high3 Ų345.6 Ų45.62%0.01823%0.231CC..Hα-helixtrans-62.4-50.7175.8166.80000110.8L143 I177 F181 G182 S187 T188 L189 Q279 I283L143-V185 HydrophobicContact CD1-CG1 3.75Å; I177-V185 HydrophobicContact CG2-CG1 4.24Å; F181-V185 HydrophobicContact CB-CB 3.79Å; F181-V185 HydrophobicContact CB-CG1 3.54Å; F181-V185 HydrophobicContact CB-CG2 4.13Å; F181-V185 HydrophobicContact CG-CG1 4.26Å; F181-V185 WeakPolarHBondContact O-CG2 3.47Å; G182-V185 PolarHBondContact O-N 2.66Å; V185-S187 VanDerWaalsContact C-N 3.31Å; V185-S187 PolarHBondContact O-N 3.19Å; V185-T188 PolarHBondContact O-N 2.79Å; V185-L189 HydrophobicContact CG1-CD1 3.69Å; V185-L189 HydrophobicContact CG1-CG 4.33Å; V185-L189 WeakPolarHBondContact O-CG 3.27Å; V185-L189 PolarHBondContact O-N 2.9Å; V185-Q279 HydrophobicContact CG2-CB 3.85Å; V185-I283 HydrophobicContact CB-CD1 4.22Å; V185-I283 HydrophobicContact CG1-CD1 3.72Å; V185-I283 HydrophobicContact CG2-CD1 3.99Å
186K97.6Very high97Very high57 Ų5740.7 Ų40.725%0.24821%0.209CC..Hα-helixtrans-51.7-51.3174.8174.5-165.9161-173.90111.3W174 I177 E178 G182 T188 L189 H190W174-K186 HydrophobicContact CE3-CG 4.19Å; W174-K186 WeakPolarHBondContact O-CD 3.32Å; I177-K186 HydrophobicContact CG2-CB 3.91Å; E178-K186 HydrophobicContact CB-CB 4.1Å; E178-K186 HydrophobicContact CB-CD 3.67Å; E178-K186 HydrophobicContact CB-CG 4.4Å; E178-K186 HydrophobicContact CG-CD 4.34Å; E178-K186 WeakPolarHBondContact OE2-CD 3.43Å; E178-K186 IonicContact OE2-NZ 2.63Å; E178-K186 PolarHBondContact OE2-NZ 3.14Å; G182-K186 PolarHBondContact O-N 3.17Å; G182-K186 VanDerWaalsContact O-N 3.17Å; K186-T188 VanDerWaalsContact C-N 3.28Å; K186-T188 PolarHBondContact O-N 3.25Å; K186-L189 PolarHBondContact O-N 2.92Å; K186-H190 WeakPolarHBondContact O-CB 3.47Å; K186-H190 PolarHBondContact O-N 2.94Å
187S97.1Very high96.9Very high56 Ų5643.1 Ų43.139%0.39222%0.22SC..Hα-helixtrans-61.9-38.5-175.4-56.80000111.8K183 S184 V185 C191K183-S187 WeakPolarHBondContact O-CB 3.39Å; K183-S187 PolarHBondContact O-N 2.82Å; K183-S187 PolarHBondContact O-OG 3.47Å; S184-S187 PolarHBondContact O-N 3.45Å; V185-S187 VanDerWaalsContact C-N 3.31Å; V185-S187 PolarHBondContact O-N 3.19Å; S187-C191 WeakPolarHBondContact O-CB 3.1Å; S187-C191 PolarHBondContact O-N 3.19Å
188T97Very high96.7Very high3 Ų349.2 Ų49.22%0.01825%0.252CS..Hα-helixtrans-69.4-49.9178.3-54.70000111.1S184 V185 K186 H190 C191 I192 I283S184-T188 PolarHBondContact O-N 2.65Å; S184-T188 PolarHBondContact O-OG1 3.28Å; V185-T188 PolarHBondContact O-N 2.79Å; K186-T188 VanDerWaalsContact C-N 3.28Å; K186-T188 PolarHBondContact O-N 3.25Å; T188-H190 VanDerWaalsContact C-N 3.35Å; T188-H190 PolarHBondContact O-N 3.28Å; T188-C191 WeakPolarHBondContact O-CB 3.42Å; T188-C191 PolarHBondContact O-N 3.28Å; T188-I192 HydrophobicContact CG2-CD1 4.35Å; T188-I192 WeakPolarHBondContact O-CG1 3.48Å; T188-I192 PolarHBondContact O-N 3.46Å; T188-I192 VanDerWaalsContact O-N 3.09Å; T188-I283 HydrophobicContact CG2-CG2 4.18Å
189L97.7Very high96.5Very high1 Ų149.7 Ų49.71%0.00525%0.254CS..Hα-helixtrans-61.8-41.6178.1-69.5173.2000112.2L143 T147 L150 W174 I177 V185 K186 C191 I192 V193 I283L143-L189 HydrophobicContact CD1-CD1 4.48Å; T147-L189 HydrophobicContact CG2-CD2 4.12Å; L150-L189 HydrophobicContact CD1-CB 4.31Å; L150-L189 HydrophobicContact CD1-CD1 4.07Å; W174-L189 HydrophobicContact CZ3-CB 4.13Å; I177-L189 HydrophobicContact CG2-CD1 4.19Å; V185-L189 HydrophobicContact CG1-CD1 3.69Å; V185-L189 HydrophobicContact CG1-CG 4.33Å; V185-L189 WeakPolarHBondContact O-CG 3.27Å; V185-L189 PolarHBondContact O-N 2.9Å; K186-L189 PolarHBondContact O-N 2.92Å; L189-C191 PolarHBondContact O-N 3.01Å; L189-I192 HydrophobicContact CD2-CD1 4.29Å; L189-I192 PolarHBondContact O-N 2.95Å; L189-V193 PolarHBondContact O-N 3.44Å; L189-I283 HydrophobicContact CD2-CD1 4.33Å; L189-I283 HydrophobicContact CD2-CG1 4.35Å; L189-I283 HydrophobicContact CD2-CG2 3.99Å; L189-I283 HydrophobicContact CG-CD1 4.21Å
190H97.3Very high96.3Very high67 Ų6742.7 Ų42.731%0.3123%0.225SC..Hα-helixtrans-61.1-44.2175-171.8-71.4000111.7W174 K186 T188 I192 V193 E194W174-H190 AromaticContact CD2-CD2 3.79Å; W174-H190 AromaticContact CE2-CD2 3.51Å; W174-H190 HydrophobicContact CE3-CB 4.18Å; W174-H190 HydrophobicContact CH2-CB 3.87Å; W174-H190 HydrophobicContact CZ2-CB 4.26Å; W174-H190 AromaticContact CZ2-CD2 3.69Å; W174-H190 HydrophobicContact CZ3-CB 3.81Å; W174-H190 AromaticContact NE1-CD2 3.88Å; K186-H190 WeakPolarHBondContact O-CB 3.47Å; K186-H190 PolarHBondContact O-N 2.94Å; T188-H190 VanDerWaalsContact C-N 3.35Å; T188-H190 PolarHBondContact O-N 3.28Å; H190-I192 VanDerWaalsContact C-N 3.31Å; H190-I192 PolarHBondContact O-N 3.47Å; H190-V193 PolarHBondContact O-N 2.71Å; H190-E194 WeakPolarHBondContact CE1-CG 3.27Å; H190-E194 IonicContact CE1-OE1 2.75Å; H190-E194 WeakPolarHBondContact ND1-CG 3.41Å; H190-E194 WeakPolarHBondContact O-CB 3.03Å; H190-E194 VanDerWaalsContact O-CG 3.32Å; H190-E194 WeakPolarHBondContact O-CG 3.49Å; H190-E194 PolarHBondContact O-N 2.91Å
191C97.7Very high96Very high34 Ų3448.5 Ų48.523%0.2325%0.25CC..Hα-helixtrans-60.1-39.6175.5177.90000112.6S187 T188 L189 T195 C246S187-C191 WeakPolarHBondContact O-CB 3.1Å; S187-C191 PolarHBondContact O-N 3.19Å; T188-C191 WeakPolarHBondContact O-CB 3.42Å; T188-C191 PolarHBondContact O-N 3.28Å; L189-C191 PolarHBondContact O-N 3.01Å; C191-T195 WeakPolarHBondContact O-CB 3.39Å; C191-T195 PolarHBondContact O-N 3.09Å; C191-T195 VanDerWaalsContact O-N 3.1Å; C191-T195 PolarHBondContact O-OG1 2.74Å; C191-C246 HydrophobicContact CB-CB 3.54Å; C191-C246 WeakPolarHBondContact CB-SG 3.37Å; C191-C246 WeakPolarHBondContact SG-CB 3.46Å; C191-C246 CovalentContact SG-SG 2.03Å; C191-C246 PolarHBondContact SG-SG 3.06Å
192I97.2Very high95.5Very high3 Ų350.9 Ų50.92%0.01526%0.261CS..Hα-helixtrans-63.1-46.8177.7-63.2162.5000110.7I151 T188 L189 H190 T195 R196 C246 I283 M287I151-I192 HydrophobicContact CG2-CD1 4.41Å; I151-I192 HydrophobicContact CG2-CG2 4.19Å; T188-I192 HydrophobicContact CG2-CD1 4.35Å; T188-I192 WeakPolarHBondContact O-CG1 3.48Å; T188-I192 PolarHBondContact O-N 3.46Å; T188-I192 VanDerWaalsContact O-N 3.09Å; L189-I192 HydrophobicContact CD2-CD1 4.29Å; L189-I192 PolarHBondContact O-N 2.95Å; H190-I192 VanDerWaalsContact C-N 3.31Å; H190-I192 PolarHBondContact O-N 3.47Å; I192-T195 PolarHBondContact O-N 2.92Å; I192-R196 WeakPolarHBondContact O-CD 3.49Å; I192-R196 WeakPolarHBondContact O-CG 3.24Å; I192-R196 PolarHBondContact O-N 2.69Å; I192-C246 HydrophobicContact CG1-CB 3.8Å; I192-I283 HydrophobicContact CD1-CG2 3.92Å; I192-M287 HydrophobicContact CD1-CE 4.05Å; I192-M287 HydrophobicContact CD1-CG 3.79Å; I192-M287 HydrophobicContact CD1-SD 3.28Å; I192-M287 WeakPolarHBondContact CD1-SD 3.4Å; I192-M287 HydrophobicContact CG1-CE 3.84Å; I192-M287 HydrophobicContact CG1-SD 3.75Å
193V96.9Very high95Very high5 Ų553 Ų533%0.0327%0.265CS..Hα-helixtrans-61-50.8178.2164.30000110.9L150 F158 W174 L189 H190 T195 R196 K197L150-V193 HydrophobicContact CB-CG2 4.37Å; L150-V193 HydrophobicContact CD2-CG2 4.47Å; F158-V193 HydrophobicContact CB-CG1 4.28Å; F158-V193 HydrophobicContact CD1-CG1 3.91Å; F158-V193 HydrophobicContact CD2-CB 4.26Å; F158-V193 HydrophobicContact CD2-CG1 3.24Å; F158-V193 HydrophobicContact CD2-CG2 3.99Å; F158-V193 HydrophobicContact CE1-CG1 4.03Å; F158-V193 HydrophobicContact CE2-CB 4.23Å; F158-V193 HydrophobicContact CE2-CG1 3.35Å; F158-V193 HydrophobicContact CE2-CG2 3.99Å; F158-V193 HydrophobicContact CG-CG1 3.51Å; F158-V193 HydrophobicContact CZ-CG1 3.75Å; W174-V193 HydrophobicContact CH2-CB 4.17Å; W174-V193 HydrophobicContact CH2-CG2 3.86Å; W174-V193 HydrophobicContact CZ2-CB 4.32Å; W174-V193 HydrophobicContact CZ2-CG1 4.3Å; W174-V193 HydrophobicContact CZ2-CG2 4.31Å; L189-V193 PolarHBondContact O-N 3.44Å; H190-V193 PolarHBondContact O-N 2.71Å; V193-T195 PolarHBondContact O-N 3.14Å; V193-R196 CarbonylContact O-C 3.13Å; V193-R196 WeakPolarHBondContact O-CA 3.46Å; V193-R196 PolarHBondContact O-N 3.47Å; V193-K197 PolarHBondContact O-N 3.28Å
194E96Very high94.1Very high72 Ų7252.9 Ų52.934%0.33627%0.272SS..Hα-helixtrans-60.2-36.1-177.6-72-61128.300112.3H190 R196 K197H190-E194 WeakPolarHBondContact CE1-CG 3.27Å; H190-E194 IonicContact CE1-OE1 2.75Å; H190-E194 WeakPolarHBondContact ND1-CG 3.41Å; H190-E194 WeakPolarHBondContact O-CB 3.03Å; H190-E194 VanDerWaalsContact O-CG 3.32Å; H190-E194 WeakPolarHBondContact O-CG 3.49Å; H190-E194 PolarHBondContact O-N 2.91Å; E194-R196 VanDerWaalsContact C-N 3.26Å; E194-R196 PolarHBondContact O-N 3.07Å; E194-K197 WeakPolarHBondContact OE1-CE 3.17Å; E194-K197 IonicContact OE1-NZ 2.82Å; E194-K197 PolarHBondContact OE1-NZ 2.94Å
195T96.2Very high93.1Very high36 Ų3655.8 Ų55.822%0.22129%0.29CS..Hα-helixtrans-62.5-34.6174-62.20000112.1C191 I192 V193 C246 K247C191-T195 WeakPolarHBondContact O-CB 3.39Å; C191-T195 PolarHBondContact O-N 3.09Å; C191-T195 VanDerWaalsContact O-N 3.1Å; C191-T195 PolarHBondContact O-OG1 2.74Å; I192-T195 PolarHBondContact O-N 2.92Å; V193-T195 PolarHBondContact O-N 3.14Å; T195-C246 WeakPolarHBondContact CB-O 3.34Å; T195-C246 PolarHBondContact OG1-O 3.03Å; T195-K247 WeakPolarHBondContact CG2-O 3.44Å
196R95.6Very high91.8Very high6 Ų659.2 Ų59.22%0.02331%0.307CS..Hα-helixtrans-91.2-12.8-175.4-67.6165.3174.5-125.221.8114.6I151 W154 G155 I192 V193 E194 N198 P250I151-R196 PolarHBondContact O-NH1 2.98Å; I151-R196 PolarHBondContact O-NH2 3.09Å; W154-R196 HydrophobicContact CD2-CB 4.48Å; W154-R196 HydrophobicContact CE3-CB 3.87Å; W154-R196 HydrophobicContact CE3-CG 4.16Å; W154-R196 HydrophobicContact CZ3-CB 4.22Å; W154-R196 HydrophobicContact CZ3-CG 4.1Å; G155-R196 PolarHBondContact N-O 3.23Å; I192-R196 WeakPolarHBondContact O-CD 3.49Å; I192-R196 WeakPolarHBondContact O-CG 3.24Å; I192-R196 PolarHBondContact O-N 2.69Å; V193-R196 CarbonylContact O-C 3.13Å; V193-R196 WeakPolarHBondContact O-CA 3.46Å; V193-R196 PolarHBondContact O-N 3.47Å; E194-R196 VanDerWaalsContact C-N 3.26Å; E194-R196 PolarHBondContact O-N 3.07Å; R196-N198 PolarHBondContact O-N 3.22Å; R196-P250 VanDerWaalsContact NH2-CG 3.31Å
197K95.1Very high90.3Very high56 Ų5666.1 Ų66.124%0.24334%0.337CS..Hα-helixtrans-58.9-29.8167.5-76.6-176.8169.8173.30111.9D159 V193 E194 E199D159-K197 WeakPolarHBondContact OD1-CE 3.45Å; D159-K197 IonicContact OD1-NZ 3.36Å; D159-K197 PolarHBondContact OD1-NZ 3.23Å; V193-K197 PolarHBondContact O-N 3.28Å; E194-K197 WeakPolarHBondContact OE1-CE 3.17Å; E194-K197 IonicContact OE1-NZ 2.82Å; E194-K197 PolarHBondContact OE1-NZ 2.94Å; K197-E199 PolarHBondContact O-N 2.79Å
198N92.7Very high88.8Confident127 Ų12764.5 Ų64.568%0.67933%0.329SS*.SBendtrans-94.392.2174.2-61.5-69.8000109.7R196R196-N198 PolarHBondContact O-N 3.22Å
199E93.8Very high87.5Confident78 Ų7869.9 Ų69.936%0.36435%0.35SS..PPolyproline II helixtrans-60.1134.6178.1-68.7-163.6162.900111.6S34 L36 W154 K197 K201S34-E199 WeakPolarHBondContact CB-OE1 3.07Å; S34-E199 PolarHBondContact OG-OE1 2.94Å; L36-E199 HydrophobicContact CD1-CB 3.86Å; L36-E199 HydrophobicContact CD1-CG 3.85Å; W154-E199 HydrophobicContact CB-CG 4.25Å; W154-E199 WeakPolarHBondContact CB-OE1 3.35Å; W154-E199 HydrophobicContact CE3-CG 4.38Å; K197-E199 PolarHBondContact O-N 2.79Å; E199-K201 PolarHBondContact O-N 3.39Å
200P93.3Very high86.4Confident15 Ų1570.3 Ų70.310%0.09735%0.354CS..PPolyproline II helixtrans-59.1141.617325.1-35.9000110.2L36 W154 P213 F251L36-P200 HydrophobicContact CD1-CG 3.83Å; L36-P200 HydrophobicContact CD2-CG 4.22Å; W154-P200 HydrophobicContact CH2-CG 4.36Å; W154-P200 HydrophobicContact CZ3-CG 4.34Å; P200-P213 HydrophobicContact CG-CB 4.2Å; P200-F251 HydrophobicContact CG-CD2 3.99Å; P200-F251 HydrophobicContact CG-CE2 4.17Å
201K92Very high85.6Confident172 Ų17267.7 Ų67.775%0.74834%0.343SS*.PPolyproline II helixtrans-54.9150.7168.4-65.4-174.9179.9-176.70109.5E199 I214E199-K201 PolarHBondContact O-N 3.39Å; K201-I214 HydrophobicContact CB-CB 4.35Å; K201-I214 HydrophobicContact CB-CD1 3.92Å; K201-I214 HydrophobicContact CB-CG1 4.44Å; K201-I214 VanDerWaalsContact O-CB 3.29Å; K201-I214 WeakPolarHBondContact O-CB 3.5Å; K201-I214 WeakPolarHBondContact O-CG1 3.38Å; K201-I214 PolarHBondContact O-N 3.38Å
202Q87.8Confident85.1Confident63 Ų6368.9 Ų68.929%0.29434%0.344SS..EExtended strand (participates in β ladder)trans-114.9140.4-178.2-62.3171.81.800109L36 V211 K212L36-Q202 HydrophobicContact CD2-CG 4.21Å; Q202-V211 HydrophobicContact CB-CB 4.16Å; Q202-V211 HydrophobicContact CG-CB 4.28Å; Q202-V211 HydrophobicContact CG-CG2 4.34Å; Q202-K212 WeakPolarHBondContact CA-O 3.43Å
203D85.7Confident84.9Confident72 Ų7268.9 Ų68.939%0.38534%0.344SS..EExtended strand (participates in β ladder)trans-66.7159.4164.8-69.7-32.9000109.4K212 I214D203-K212 HydrophobicContact CB-CB 4.18Å; D203-K212 PolarHBondContact N-O 3.46Å; D203-I214 WeakPolarHBondContact OD1-CD1 3.18Å; D203-I214 WeakPolarHBondContact OD1-CG1 3.36Å
204D77Confident84.6Confident145 Ų14572.3 Ų72.378%0.77536%0.362SS*.PPolyproline II helixtrans-53.7140.7176.1-67.8-41.6000111.5I206D204-I206 PolarHBondContact O-N 3.31Å; D204-I206 VanDerWaalsContact O-N 3.16Å
205P74.6Confident84.5Confident101 Ų10170.2 Ų70.266%0.65635%0.354SS*.PPolyproline II helixtrans-53123.3177.6-24.832.1000111.6V211P205-V211 HydrophobicContact CG-CG1 4.25Å
206I68.6Low84.4Confident75 Ų7572.3 Ų72.339%0.38536%0.364SS..PPolyproline II helixtrans-87.9128178.2-58.9169000107.9D204 G208 R209D204-I206 PolarHBondContact O-N 3.31Å; D204-I206 VanDerWaalsContact O-N 3.16Å; I206-G208 PolarHBondContact O-N 3.4Å; I206-R209 HydrophobicContact CB-CB 4.13Å; I206-R209 HydrophobicContact CG2-CB 4.42Å; I206-R209 HydrophobicContact CG2-CG 4.43Å; I206-R209 CarbonylContact O-C 3.36Å; I206-R209 PolarHBondContact O-N 3.46Å
207K67.8Low84.3Confident201 Ų20179 Ų7987%0.87439%0.393SS*.THydrogen-bonded Turntrans-53.5118.2179.9-170.5176.8-178.5177.70112.1R374K207-R374 PolarHBondContact O-NH1 3.15Å
208G64.4Low84.3Confident22 Ų2280.6 Ų80.623%0.22741%0.407CS..THydrogen-bonded Turntrans76.121.3-177.100000114.3I206 R374I206-G208 PolarHBondContact O-N 3.4Å; G208-R374 VanDerWaalsContact O-CD 3.29Å; G208-R374 WeakPolarHBondContact O-CD 3.45Å; G208-R374 PolarHBondContact O-NH1 3.31Å
209R69.2Low84.4Confident117 Ų11775.4 Ų75.444%0.44238%0.382SS..SBendtrans-135.9169.6161.7-63-173.5-179.6-170.71.6107.5I206I206-R209 HydrophobicContact CB-CB 4.13Å; I206-R209 HydrophobicContact CG2-CB 4.42Å; I206-R209 HydrophobicContact CG2-CG 4.43Å; I206-R209 CarbonylContact O-C 3.36Å; I206-R209 PolarHBondContact O-N 3.46Å
210G75Confident84.5Confident10 Ų1071.8 Ų71.810%0.10337%0.365CS..  trans-77.7-155.9171.800000111.3G43G43-G210 WeakPolarHBondContact O-CA 3.47Å; G43-G210 PolarHBondContact O-N 2.93Å
211V81.5Confident84.6Confident12 Ų1273.5 Ų73.57%0.07338%0.378CS..PPolyproline II helixtrans-79.9139.1170-68.80000110.1Q35 V39 G43 Q202 P205 P213Q35-V211 HydrophobicContact CB-CG2 4.35Å; V39-V211 HydrophobicContact CG1-CG2 4.32Å; V39-V211 HydrophobicContact CG2-CG2 4.29Å; G43-V211 WeakPolarHBondContact CA-O 3.2Å; Q202-V211 HydrophobicContact CB-CB 4.16Å; Q202-V211 HydrophobicContact CG-CB 4.28Å; Q202-V211 HydrophobicContact CG-CG2 4.34Å; P205-V211 HydrophobicContact CG-CG1 4.25Å; V211-P213 WeakPolarHBondContact O-CD 3.38Å
212K87.7Confident84.7Confident58 Ų5870.9 Ų70.925%0.25237%0.368SS..EExtended strand (participates in β ladder)trans-98117.3175.4-175.7174.8-174.2155.70109.7E42 Q202 D203 I214E42-K212 IonicContact OE2-NZ 2.79Å; E42-K212 PolarHBondContact OE2-NZ 2.98Å; Q202-K212 WeakPolarHBondContact CA-O 3.43Å; D203-K212 HydrophobicContact CB-CB 4.18Å; D203-K212 PolarHBondContact N-O 3.46Å; K212-I214 PolarHBondContact O-N 3.44Å
213P91.1Very high85.1Confident4 Ų468.2 Ų68.23%0.02636%0.356CS..EExtended strand (participates in β ladder)trans-66.6133177.7-20.233.1000111.8L36 V39 P200 V211 V215 F251L36-P213 HydrophobicContact CD2-CB 4.29Å; L36-P213 HydrophobicContact CD2-CG 3.88Å; V39-P213 HydrophobicContact CG2-CG 4.17Å; P200-P213 HydrophobicContact CG-CB 4.2Å; V211-P213 WeakPolarHBondContact O-CD 3.38Å; P213-V215 PolarHBondContact O-N 3Å; P213-F251 HydrophobicContact CB-CB 4.41Å; P213-F251 HydrophobicContact CB-CD1 4.25Å; P213-F251 HydrophobicContact CB-CD2 3.66Å; P213-F251 HydrophobicContact CB-CE1 4.45Å; P213-F251 HydrophobicContact CB-CE2 3.88Å; P213-F251 HydrophobicContact CB-CG 3.84Å; P213-F251 HydrophobicContact CB-CZ 4.27Å; P213-F251 HydrophobicContact CG-CD1 3.85Å; P213-F251 HydrophobicContact CG-CD2 3.85Å; P213-F251 HydrophobicContact CG-CE1 3.64Å; P213-F251 HydrophobicContact CG-CE2 3.64Å; P213-F251 HydrophobicContact CG-CG 3.94Å; P213-F251 HydrophobicContact CG-CZ 3.52Å
214I92.4Very high85.5Confident76 Ų7665.7 Ų65.739%0.3934%0.342SS..  trans-80.2110176.3-60.1178.4000108.8K201 D203 K212K201-I214 HydrophobicContact CB-CB 4.35Å; K201-I214 HydrophobicContact CB-CD1 3.92Å; K201-I214 HydrophobicContact CB-CG1 4.44Å; K201-I214 VanDerWaalsContact O-CB 3.29Å; K201-I214 WeakPolarHBondContact O-CB 3.5Å; K201-I214 WeakPolarHBondContact O-CG1 3.38Å; K201-I214 PolarHBondContact O-N 3.38Å; D203-I214 WeakPolarHBondContact OD1-CD1 3.18Å; D203-I214 WeakPolarHBondContact OD1-CG1 3.36Å; K212-I214 PolarHBondContact O-N 3.44Å
215V92.6Very high86.2Confident29 Ų2966.1 Ų66.118%0.17633%0.334CS..  trans-79.5122178.9177.20000110.8V41 P213 K217 V220 F251 Q252 R255V41-V215 HydrophobicContact CG2-CG2 4.15Å; P213-V215 PolarHBondContact O-N 3Å; V215-K217 PolarHBondContact O-N 2.97Å; V215-V220 HydrophobicContact CG1-CG2 4.02Å; V215-F251 HydrophobicContact CG2-CB 4.06Å; V215-Q252 HydrophobicContact CG1-CG 4.01Å; V215-R255 HydrophobicContact CG1-CB 3.88Å; V215-R255 HydrophobicContact CG1-CG 4Å
216N94.2Very high87Confident80 Ų8064.5 Ų64.543%0.42832%0.32SS..  trans-70.394.5170.3-175.4-14.6000110.5T218 A219 V220N216-T218 VanDerWaalsContact C-N 3.26Å; N216-T218 PolarHBondContact O-N 3.2Å; N216-T218 WeakPolarHBondContact OD1-CB 3.35Å; N216-T218 PolarHBondContact OD1-N 3.39Å; N216-T218 VanDerWaalsContact OD1-N 3.13Å; N216-A219 HydrophobicContact CB-CB 4.15Å; N216-A219 PolarHBondContact O-N 3.42Å; N216-A219 PolarHBondContact OD1-N 2.94Å; N216-V220 WeakPolarHBondContact O-CG2 3.32Å; N216-V220 PolarHBondContact O-N 3.26Å
217K93.6Very high88.1Confident145 Ų14560.9 Ų60.963%0.6330%0.301SS*.Hα-helixtrans-63.2-31.3-178.2-65177.1-174.8168.50112.9V215 V220 S221V215-K217 PolarHBondContact O-N 2.97Å; K217-V220 PolarHBondContact O-N 2.92Å; K217-S221 WeakPolarHBondContact O-CB 3.49Å; K217-S221 PolarHBondContact O-N 3.2Å; K217-S221 PolarHBondContact O-OG 3.44Å
218T95.2Very high89.1Confident90 Ų9055.5 Ų55.555%0.55228%0.28SS*.Hα-helixtrans-65-49.8178.6-54.10000110.4N216 V220 S221 E222N216-T218 VanDerWaalsContact C-N 3.26Å; N216-T218 PolarHBondContact O-N 3.2Å; N216-T218 WeakPolarHBondContact OD1-CB 3.35Å; N216-T218 PolarHBondContact OD1-N 3.39Å; N216-T218 VanDerWaalsContact OD1-N 3.13Å; T218-V220 VanDerWaalsContact C-N 3.3Å; T218-V220 PolarHBondContact O-N 3.43Å; T218-S221 PolarHBondContact O-N 3.14Å; T218-S221 VanDerWaalsContact O-N 3.09Å; T218-E222 HydrophobicContact CG2-CG 4.48Å; T218-E222 WeakPolarHBondContact O-CG 3.22Å; T218-E222 PolarHBondContact O-N 3.42Å
219A95.2Very high90.2Very high18 Ų1859.5 Ų59.515%0.14930%0.3CS..Hα-helixtrans-58.4-41.7176.500000112.1N216 S221 E222 V223N216-A219 HydrophobicContact CB-CB 4.15Å; N216-A219 PolarHBondContact O-N 3.42Å; N216-A219 PolarHBondContact OD1-N 2.94Å; A219-S221 PolarHBondContact O-N 3.46Å; A219-E222 PolarHBondContact O-N 2.94Å; A219-V223 WeakPolarHBondContact O-CG2 3.47Å; A219-V223 PolarHBondContact O-N 3.16Å
220V95.8Very high91.2Very high2 Ų254.9 Ų54.91%0.01229%0.285CS..Hα-helixtrans-61.8-44175.5175.50000111.5V215 N216 K217 T218 F224 Q252 R255 L256 I259V215-V220 HydrophobicContact CG1-CG2 4.02Å; N216-V220 WeakPolarHBondContact O-CG2 3.32Å; N216-V220 PolarHBondContact O-N 3.26Å; K217-V220 PolarHBondContact O-N 2.92Å; T218-V220 VanDerWaalsContact C-N 3.3Å; T218-V220 PolarHBondContact O-N 3.43Å; V220-F224 VanDerWaalsContact O-CB 3.28Å; V220-F224 WeakPolarHBondContact O-CB 3.3Å; V220-F224 PolarHBondContact O-N 2.95Å; V220-Q252 HydrophobicContact CG2-CB 3.68Å; V220-Q252 HydrophobicContact CG2-CG 4.04Å; V220-Q252 WeakPolarHBondContact CG2-O 3.45Å; V220-R255 HydrophobicContact CG1-CB 4.49Å; V220-R255 HydrophobicContact CG1-CG 4.15Å; V220-R255 HydrophobicContact CG2-CB 4.34Å; V220-R255 HydrophobicContact CG2-CG 4.37Å; V220-L256 HydrophobicContact CG1-CB 4.07Å; V220-L256 HydrophobicContact CG1-CD1 4.36Å; V220-I259 HydrophobicContact CG1-CD1 3.72Å
221S94.9Very high91.8Very high52 Ų5255.5 Ų55.536%0.36429%0.286SS..Hα-helixtrans-66.4-43.1178.6-76.60000112.4K217 T218 A219 F224 Y225K217-S221 WeakPolarHBondContact O-CB 3.49Å; K217-S221 PolarHBondContact O-N 3.2Å; K217-S221 PolarHBondContact O-OG 3.44Å; T218-S221 PolarHBondContact O-N 3.14Å; T218-S221 VanDerWaalsContact O-N 3.09Å; A219-S221 PolarHBondContact O-N 3.46Å; S221-F224 WeakPolarHBondContact O-CB 3.4Å; S221-F224 PolarHBondContact O-N 2.9Å; S221-Y225 WeakPolarHBondContact O-CD2 3.34Å; S221-Y225 PolarHBondContact O-N 2.98Å
222E95.3Very high91.9Very high116 Ų11661.6 Ų61.654%0.54232%0.318SS..Hα-helixtrans-59.1-50.8176.1-72.6172177.300111.1T218 A219 F224 Y225 D226T218-E222 HydrophobicContact CG2-CG 4.48Å; T218-E222 WeakPolarHBondContact O-CG 3.22Å; T218-E222 PolarHBondContact O-N 3.42Å; A219-E222 PolarHBondContact O-N 2.94Å; E222-F224 VanDerWaalsContact C-N 3.3Å; E222-F224 PolarHBondContact O-N 3.49Å; E222-Y225 PolarHBondContact O-N 3.02Å; E222-D226 PolarHBondContact O-N 3.07Å
223V95.3Very high91.4Very high7 Ų761.3 Ų61.34%0.04232%0.323CS..Hα-helixtrans-63.1-36.9177.5171.50000111.7A219 D226 I227 R244 L245 L248 L256A219-V223 WeakPolarHBondContact O-CG2 3.47Å; A219-V223 PolarHBondContact O-N 3.16Å; V223-D226 PolarHBondContact O-N 2.94Å; V223-I227 HydrophobicContact CG1-CD1 3.52Å; V223-I227 HydrophobicContact CG1-CG1 4.14Å; V223-I227 WeakPolarHBondContact O-CB 3.38Å; V223-I227 VanDerWaalsContact O-CG1 3.23Å; V223-I227 WeakPolarHBondContact O-CG1 3.27Å; V223-I227 PolarHBondContact O-N 3.48Å; V223-R244 HydrophobicContact CG1-CB 4.31Å; V223-L245 HydrophobicContact CG1-CD2 4.49Å; V223-L248 HydrophobicContact CB-CD1 4.11Å; V223-L248 HydrophobicContact CB-CD2 4.02Å; V223-L248 HydrophobicContact CB-CG 4.21Å; V223-L248 HydrophobicContact CG1-CD1 3.71Å; V223-L248 HydrophobicContact CG1-CD2 4.4Å; V223-L248 HydrophobicContact CG1-CG 4.03Å; V223-L248 HydrophobicContact CG2-CD2 3.71Å; V223-L248 HydrophobicContact CG2-CG 4.07Å; V223-L256 HydrophobicContact CG1-CD2 4.43Å
224F93.5Very high90.2Very high19 Ų1967.4 Ų67.48%0.08336%0.356CS..Hα-helixtrans-58.3-49.1174.8175.2-99.1000111.9V220 S221 E222 I227 M228 L256 I259 Y260V220-F224 VanDerWaalsContact O-CB 3.28Å; V220-F224 WeakPolarHBondContact O-CB 3.3Å; V220-F224 PolarHBondContact O-N 2.95Å; S221-F224 WeakPolarHBondContact O-CB 3.4Å; S221-F224 PolarHBondContact O-N 2.9Å; E222-F224 VanDerWaalsContact C-N 3.3Å; E222-F224 PolarHBondContact O-N 3.49Å; F224-I227 PolarHBondContact O-N 3.47Å; F224-M228 HydrophobicContact CD1-SD 4.18Å; F224-M228 HydrophobicContact CE1-CG 4.33Å; F224-M228 HydrophobicContact CE1-SD 3.4Å; F224-M228 WeakPolarHBondContact CE1-SD 3.3Å; F224-M228 HydrophobicContact CE2-SD 4.38Å; F224-M228 HydrophobicContact CZ-CG 4.25Å; F224-M228 HydrophobicContact CZ-SD 3.51Å; F224-M228 VanDerWaalsContact CZ-SD 3.51Å; F224-M228 WeakPolarHBondContact O-CG 3.27Å; F224-M228 PolarHBondContact O-N 3.18Å; F224-M228 VanDerWaalsContact O-N 3.08Å; F224-L256 HydrophobicContact CB-CD1 3.62Å; F224-L256 HydrophobicContact CD2-CD1 3.79Å; F224-L256 HydrophobicContact CG-CD1 4.2Å; F224-I259 HydrophobicContact CD2-CG2 3.98Å; F224-I259 HydrophobicContact CE2-CG2 3.76Å; F224-I259 HydrophobicContact CZ-CG2 4.13Å; F224-Y260 HydrophobicContact CD2-CD2 4.06Å; F224-Y260 AromaticContact CD2-CE2 3.55Å; F224-Y260 HydrophobicContact CD2-CE2 3.55Å; F224-Y260 HydrophobicContact CE2-CD2 4.01Å; F224-Y260 HydrophobicContact CE2-CE1 4.45Å; F224-Y260 AromaticContact CE2-CE2 3.65Å; F224-Y260 HydrophobicContact CE2-CE2 3.65Å; F224-Y260 AromaticContact CE2-CZ 3.89Å
225Y92.3Very high89.5Confident154 Ų15472.2 Ų72.260%0.60437%0.373SS*.Hα-helixtrans-66.8-41.8178.4-72.5-64.7000112.2S221 E222 I227 M228 V229S221-Y225 WeakPolarHBondContact O-CD2 3.34Å; S221-Y225 PolarHBondContact O-N 2.98Å; E222-Y225 PolarHBondContact O-N 3.02Å; Y225-I227 VanDerWaalsContact C-N 3.32Å; Y225-I227 PolarHBondContact O-N 3.19Å; Y225-M228 WeakPolarHBondContact O-CB 3.42Å; Y225-M228 PolarHBondContact O-N 3.26Å; Y225-V229 PolarHBondContact O-N 3.27Å
226D92.2Very high89Confident67 Ų6774.8 Ų74.836%0.35839%0.386SS..Hα-helixtrans-59.3-43.5176.6-79-1.7000111.8E222 V223 V229 V230 R244E222-D226 PolarHBondContact O-N 3.07Å; V223-D226 PolarHBondContact O-N 2.94Å; D226-V229 PolarHBondContact O-N 2.76Å; D226-V230 WeakPolarHBondContact O-CG2 3.36Å; D226-V230 PolarHBondContact O-N 3.38Å; D226-V230 VanDerWaalsContact O-N 3.08Å; D226-R244 HydrophobicContact CB-CG 3.91Å
227I91.3Very high88.9Confident0 Ų071 Ų710%037%0.366CS..Hα-helixtrans-66.4-39.8178.6-72.1170.3000110.8V223 F224 Y225 V229 V230 L231 L241 R244 L245 L256 Y260 F268V223-I227 HydrophobicContact CG1-CD1 3.52Å; V223-I227 HydrophobicContact CG1-CG1 4.14Å; V223-I227 WeakPolarHBondContact O-CB 3.38Å; V223-I227 VanDerWaalsContact O-CG1 3.23Å; V223-I227 WeakPolarHBondContact O-CG1 3.27Å; V223-I227 PolarHBondContact O-N 3.48Å; F224-I227 PolarHBondContact O-N 3.47Å; Y225-I227 VanDerWaalsContact C-N 3.32Å; Y225-I227 PolarHBondContact O-N 3.19Å; I227-V229 VanDerWaalsContact C-N 3.29Å; I227-V229 PolarHBondContact O-N 3.48Å; I227-V230 PolarHBondContact O-N 3.33Å; I227-V230 VanDerWaalsContact O-N 3.14Å; I227-L231 HydrophobicContact CG2-CD1 3.52Å; I227-L231 HydrophobicContact CG2-CG 3.91Å; I227-L231 WeakPolarHBondContact O-CB 3.3Å; I227-L231 WeakPolarHBondContact O-CG 3.49Å; I227-L231 PolarHBondContact O-N 2.83Å; I227-L241 HydrophobicContact CB-CD2 4.42Å; I227-L241 HydrophobicContact CG1-CD2 4.1Å; I227-L241 HydrophobicContact CG2-CD2 3.78Å; I227-R244 HydrophobicContact CG1-CB 4.17Å; I227-L245 HydrophobicContact CD1-CD2 3.36Å; I227-L245 HydrophobicContact CD1-CG 3.79Å; I227-L256 HydrophobicContact CD1-CD2 4.02Å; I227-Y260 WeakPolarHBondContact CG2-OH 3.32Å; I227-F268 HydrophobicContact CD1-CZ 4.38Å; I227-F268 HydrophobicContact CG2-CE2 4.29Å
228M87.9Confident88.7Confident87 Ų8764.2 Ų64.243%0.42934%0.337SS..Hα-helixtrans-56-45.6175.2-75.5-171.866.400111.5F224 Y225 V230 L231 D232F224-M228 HydrophobicContact CD1-SD 4.18Å; F224-M228 HydrophobicContact CE1-CG 4.33Å; F224-M228 HydrophobicContact CE1-SD 3.4Å; F224-M228 WeakPolarHBondContact CE1-SD 3.3Å; F224-M228 HydrophobicContact CE2-SD 4.38Å; F224-M228 HydrophobicContact CZ-CG 4.25Å; F224-M228 HydrophobicContact CZ-SD 3.51Å; F224-M228 VanDerWaalsContact CZ-SD 3.51Å; F224-M228 WeakPolarHBondContact O-CG 3.27Å; F224-M228 PolarHBondContact O-N 3.18Å; F224-M228 VanDerWaalsContact O-N 3.08Å; Y225-M228 WeakPolarHBondContact O-CB 3.42Å; Y225-M228 PolarHBondContact O-N 3.26Å; M228-V230 VanDerWaalsContact C-N 3.35Å; M228-V230 PolarHBondContact O-N 2.86Å; M228-L231 PolarHBondContact O-N 2.82Å; M228-D232 PolarHBondContact O-N 3.23Å
229V89Confident88.6Confident107 Ų10762.8 Ų62.865%0.64832%0.324SS*.Hα-helixtrans-62.7-40.7176.6177.50000111.8Y225 D226 I227Y225-V229 PolarHBondContact O-N 3.27Å; D226-V229 PolarHBondContact O-N 2.76Å; I227-V229 VanDerWaalsContact C-N 3.29Å; I227-V229 PolarHBondContact O-N 3.48Å
230V89.8Confident88.5Confident19 Ų1965.5 Ų65.512%0.11533%0.334CS..Hα-helixtrans-63.3-42.3177.4169.30000111.3D226 I227 M228 D232 S233 V237 Q240 L241D226-V230 WeakPolarHBondContact O-CG2 3.36Å; D226-V230 PolarHBondContact O-N 3.38Å; D226-V230 VanDerWaalsContact O-N 3.08Å; I227-V230 PolarHBondContact O-N 3.33Å; I227-V230 VanDerWaalsContact O-N 3.14Å; M228-V230 VanDerWaalsContact C-N 3.35Å; M228-V230 PolarHBondContact O-N 2.86Å; V230-D232 VanDerWaalsContact C-N 3.28Å; V230-D232 PolarHBondContact O-N 2.93Å; V230-S233 WeakPolarHBondContact O-CB 3.42Å; V230-S233 PolarHBondContact O-N 3.32Å; V230-S233 PolarHBondContact O-OG 3.46Å; V230-V237 HydrophobicContact CG1-CB 3.69Å; V230-V237 HydrophobicContact CG1-CG1 3.85Å; V230-V237 HydrophobicContact CG1-CG2 4.11Å; V230-Q240 HydrophobicContact CG1-CB 3.58Å; V230-Q240 HydrophobicContact CG1-CG 4.44Å; V230-Q240 HydrophobicContact CG2-CB 4.05Å; V230-L241 HydrophobicContact CG1-CD2 3.97Å; V230-L241 HydrophobicContact CG1-CG 4.25Å
231L86.9Confident88.4Confident24 Ų2465.4 Ų65.413%0.12633%0.333CS..Hα-helixtrans-72.7-18.1-175.6-69.4173.9000114.4I227 M228 S233 V237 L241 V271 R275I227-L231 HydrophobicContact CG2-CD1 3.52Å; I227-L231 HydrophobicContact CG2-CG 3.91Å; I227-L231 WeakPolarHBondContact O-CB 3.3Å; I227-L231 WeakPolarHBondContact O-CG 3.49Å; I227-L231 PolarHBondContact O-N 2.83Å; M228-L231 PolarHBondContact O-N 2.82Å; L231-S233 PolarHBondContact O-N 2.82Å; L231-V237 HydrophobicContact CD2-CG2 4.28Å; L231-L241 HydrophobicContact CD2-CD1 4.33Å; L231-L241 HydrophobicContact CD2-CD2 4.28Å; L231-V271 HydrophobicContact CD1-CG1 3.63Å; L231-V271 HydrophobicContact CD2-CG1 3.39Å; L231-V271 HydrophobicContact CG-CG1 4.16Å; L231-R275 HydrophobicContact CD2-CB 4.31Å; L231-R275 HydrophobicContact CD2-CG 3.97Å; L231-R275 PolarHBondContact O-NH2 2.93Å
232D84Confident88.4Confident139 Ų13963 Ų6374%0.74332%0.316SS*.THydrogen-bonded Turntrans-71.1-16.6172.1-74.3-15.7000112.2M228 V230M228-D232 PolarHBondContact O-N 3.23Å; V230-D232 VanDerWaalsContact C-N 3.28Å; V230-D232 PolarHBondContact O-N 2.93Å
233S77.8Confident88.3Confident52 Ų5261.6 Ų61.636%0.36431%0.31SS..SBendtrans-77.8140.6172.975.60000112V230 L231 V237V230-S233 WeakPolarHBondContact O-CB 3.42Å; V230-S233 PolarHBondContact O-N 3.32Å; V230-S233 PolarHBondContact O-OG 3.46Å; L231-S233 PolarHBondContact O-N 2.82Å; S233-V237 VanDerWaalsContact OG-CG1 3.29Å; S233-V237 WeakPolarHBondContact OG-CG1 3.27Å
234N64.8Low88.3Confident133 Ų13364.7 Ų64.771%0.71132%0.321SS*.SBendtrans-95.993.4176.7-85.7-27.7000110.7
235K78.8Confident88.4Confident176 Ų17663.8 Ų63.877%0.76532%0.317SS*.SBendtrans173.8179.3156.5-94.3153.3-168.6-172.40109.6V237K235-V237 WeakPolarHBondContact O-CG1 3.46Å; K235-V237 PolarHBondContact O-N 2.96Å
236D81.9Confident88.6Confident83 Ų8356.7 Ų56.744%0.44429%0.289SS..  trans-52.9122.2170.9-177.1-9.9000110.2G238 T276 S277D236-G238 PolarHBondContact OD1-N 2.86Å; D236-T276 WeakPolarHBondContact OD1-CA 3.24Å; D236-S277 WeakPolarHBondContact OD2-CB 3.48Å; D236-S277 PolarHBondContact OD2-N 2.75Å; D236-S277 PolarHBondContact OD2-OG 2.83Å
237V90.4Very high88.8Confident2 Ų258.6 Ų58.61%0.01229%0.294CS..  trans-115.719-176.6-72.30000112.2V230 L231 S233 K235 Q239 Q240 L241 R275V230-V237 HydrophobicContact CG1-CB 3.69Å; V230-V237 HydrophobicContact CG1-CG1 3.85Å; V230-V237 HydrophobicContact CG1-CG2 4.11Å; L231-V237 HydrophobicContact CD2-CG2 4.28Å; S233-V237 VanDerWaalsContact OG-CG1 3.29Å; S233-V237 WeakPolarHBondContact OG-CG1 3.27Å; K235-V237 WeakPolarHBondContact O-CG1 3.46Å; K235-V237 PolarHBondContact O-N 2.96Å; V237-Q239 VanDerWaalsContact C-N 3.26Å; V237-Q239 PolarHBondContact O-N 3.25Å; V237-Q240 VanDerWaalsContact CA-OE1 3.26Å; V237-Q240 HydrophobicContact CB-CB 4.48Å; V237-Q240 PolarHBondContact O-N 3.29Å; V237-Q240 VanDerWaalsContact O-N 3.08Å; V237-Q240 PolarHBondContact O-OE1 3.38Å; V237-L241 HydrophobicContact CB-CG 4.33Å; V237-L241 HydrophobicContact CG2-CD1 3.69Å; V237-L241 HydrophobicContact CG2-CG 3.86Å; V237-L241 WeakPolarHBondContact O-CB 3.49Å; V237-L241 WeakPolarHBondContact O-CG 3.45Å; V237-L241 PolarHBondContact O-N 3.16Å; V237-R275 HydrophobicContact CG2-CB 3.84Å; V237-R275 WeakPolarHBondContact CG2-O 3.49Å; V237-R275 PolarHBondContact N-O 3.37Å
238G91.2Very high89.1Confident1 Ų158.8 Ų58.81%0.0130%0.295CS..Hα-helixtrans-51.8-42-176.800000113.7D236 G242D236-G238 PolarHBondContact OD1-N 2.86Å; G238-G242 PolarHBondContact O-N 3.27Å
239Q92Very high89.5Confident60 Ų6054.9 Ų54.928%0.2828%0.276SS..Hα-helixtrans-65.6-46.6177.9-17867.446.700112.1S184 V237 G242 Q243 L280S184-Q239 PolarHBondContact OG-OE1 3.21Å; V237-Q239 VanDerWaalsContact C-N 3.26Å; V237-Q239 PolarHBondContact O-N 3.25Å; Q239-G242 PolarHBondContact O-N 3.47Å; Q239-Q243 WeakPolarHBondContact O-CG 3.36Å; Q239-Q243 PolarHBondContact O-N 2.64Å; Q239-L280 HydrophobicContact CB-CD1 4.07Å
240Q93.3Very high89.8Confident76 Ų7650.1 Ų50.136%0.35525%0.247SC..Hα-helixtrans-65.8-45.6-179.6-63.888.6-26.800110.3V230 V237 Q243 R244V230-Q240 HydrophobicContact CG1-CB 3.58Å; V230-Q240 HydrophobicContact CG1-CG 4.44Å; V230-Q240 HydrophobicContact CG2-CB 4.05Å; V237-Q240 VanDerWaalsContact CA-OE1 3.26Å; V237-Q240 HydrophobicContact CB-CB 4.48Å; V237-Q240 PolarHBondContact O-N 3.29Å; V237-Q240 VanDerWaalsContact O-N 3.08Å; V237-Q240 PolarHBondContact O-OE1 3.38Å; Q240-Q243 PolarHBondContact O-N 2.75Å; Q240-R244 WeakPolarHBondContact O-CD 3.36Å; Q240-R244 PolarHBondContact O-N 3.23Å
241L93.8Very high90Very high0 Ų049.5 Ų49.50%024%0.243CC..Hα-helixtrans-60.6-45.5175.4-69.5-178.9000111.2I227 V230 L231 V237 Q243 R244 L245 L272 T276 L284I227-L241 HydrophobicContact CB-CD2 4.42Å; I227-L241 HydrophobicContact CG1-CD2 4.1Å; I227-L241 HydrophobicContact CG2-CD2 3.78Å; V230-L241 HydrophobicContact CG1-CD2 3.97Å; V230-L241 HydrophobicContact CG1-CG 4.25Å; L231-L241 HydrophobicContact CD2-CD1 4.33Å; L231-L241 HydrophobicContact CD2-CD2 4.28Å; V237-L241 HydrophobicContact CB-CG 4.33Å; V237-L241 HydrophobicContact CG2-CD1 3.69Å; V237-L241 HydrophobicContact CG2-CG 3.86Å; V237-L241 WeakPolarHBondContact O-CB 3.49Å; V237-L241 WeakPolarHBondContact O-CG 3.45Å; V237-L241 PolarHBondContact O-N 3.16Å; L241-Q243 PolarHBondContact O-N 3.19Å; L241-R244 PolarHBondContact O-N 3.23Å; L241-R244 VanDerWaalsContact O-N 3.09Å; L241-L245 HydrophobicContact CB-CD1 4.17Å; L241-L245 WeakPolarHBondContact O-CB 3.32Å; L241-L245 WeakPolarHBondContact O-CG 3.43Å; L241-L245 PolarHBondContact O-N 3.1Å; L241-L272 HydrophobicContact CD1-CD2 4.3Å; L241-T276 HydrophobicContact CD1-CG2 3.65Å; L241-L284 HydrophobicContact CB-CD1 4.04Å
242G94.1Very high90.4Very high0 Ų049.4 Ų49.40%024%0.242CC..Hα-helixtrans-51.7-49.8173.900000113G238 Q239 R244 C246G238-G242 PolarHBondContact O-N 3.27Å; Q239-G242 PolarHBondContact O-N 3.47Å; G242-R244 PolarHBondContact O-N 3Å; G242-R244 VanDerWaalsContact O-N 3.14Å; G242-C246 WeakPolarHBondContact O-CB 3.47Å; G242-C246 PolarHBondContact O-N 2.89Å; G242-C246 PolarHBondContact O-SG 3.45Å
243Q94.4Very high90.9Very high88 Ų8842.8 Ų42.841%0.41121%0.207SC..Hα-helixtrans-63.9-17.6-179.9-72.7173.4-5.200114.9Q239 Q240 L241 K247Q239-Q243 WeakPolarHBondContact O-CG 3.36Å; Q239-Q243 PolarHBondContact O-N 2.64Å; Q240-Q243 PolarHBondContact O-N 2.75Å; L241-Q243 PolarHBondContact O-N 3.19Å; Q243-K247 WeakPolarHBondContact O-CE 3.43Å
244R95.4Very high91.7Very high72 Ų7242 Ų4227%0.27220%0.197SC..Hα-helixtrans-101.8-49.7178.8-80.978.2-177.4125.8-3.4110.8V223 D226 I227 Q240 L241 G242 C246 K247V223-R244 HydrophobicContact CG1-CB 4.31Å; D226-R244 HydrophobicContact CB-CG 3.91Å; I227-R244 HydrophobicContact CG1-CB 4.17Å; Q240-R244 WeakPolarHBondContact O-CD 3.36Å; Q240-R244 PolarHBondContact O-N 3.23Å; L241-R244 PolarHBondContact O-N 3.23Å; L241-R244 VanDerWaalsContact O-N 3.09Å; G242-R244 PolarHBondContact O-N 3Å; G242-R244 VanDerWaalsContact O-N 3.14Å; R244-C246 VanDerWaalsContact C-N 3.27Å; R244-C246 PolarHBondContact O-N 3.41Å; R244-K247 WeakPolarHBondContact O-CB 3.44Å; R244-K247 PolarHBondContact O-N 3.15Å; R244-K247 VanDerWaalsContact O-N 3.14Å
245L96.1Very high92.9Very high0 Ų039 Ų390%018%0.176CC..Hα-helixtrans-65-30.7-178.5-70.7171.8000112.7V223 I227 L241 K247 L248 F253 L256 F268 L272 L284 M287V223-L245 HydrophobicContact CG1-CD2 4.49Å; I227-L245 HydrophobicContact CD1-CD2 3.36Å; I227-L245 HydrophobicContact CD1-CG 3.79Å; L241-L245 HydrophobicContact CB-CD1 4.17Å; L241-L245 WeakPolarHBondContact O-CB 3.32Å; L241-L245 WeakPolarHBondContact O-CG 3.43Å; L241-L245 PolarHBondContact O-N 3.1Å; L245-K247 PolarHBondContact O-N 3.1Å; L245-K247 VanDerWaalsContact O-N 3.14Å; L245-L248 PolarHBondContact O-N 3.3Å; L245-L248 VanDerWaalsContact O-N 3.1Å; L245-F253 HydrophobicContact CB-CE2 4.01Å; L245-F253 HydrophobicContact CD1-CE2 4.35Å; L245-F253 HydrophobicContact CD1-CZ 4.35Å; L245-F253 HydrophobicContact CD2-CD2 4.34Å; L245-F253 HydrophobicContact CD2-CE2 3.76Å; L245-F253 HydrophobicContact CD2-CZ 3.99Å; L245-F253 HydrophobicContact CG-CE2 4.26Å; L245-L256 HydrophobicContact CD2-CD2 3.7Å; L245-F268 HydrophobicContact CD1-CE1 4.41Å; L245-F268 HydrophobicContact CD1-CZ 3.89Å; L245-F268 HydrophobicContact CD2-CE1 4.07Å; L245-F268 HydrophobicContact CD2-CZ 3.72Å; L245-F268 HydrophobicContact CG-CZ 4.4Å; L245-L272 HydrophobicContact CD1-CD2 3.92Å; L245-L284 HydrophobicContact CB-CD2 4.18Å; L245-L284 HydrophobicContact CD1-CD2 3.78Å; L245-M287 HydrophobicContact CB-CE 4.42Å; L245-M287 WeakPolarHBondContact O-CE 3.47Å
246C96.3Very high93.6Very high4 Ų430.6 Ų30.63%0.02714%0.139CC..THydrogen-bonded Turntrans-62.7-17.7176.471.30000113.8C191 I192 T195 G242 R244 L248C191-C246 HydrophobicContact CB-CB 3.54Å; C191-C246 WeakPolarHBondContact CB-SG 3.37Å; C191-C246 WeakPolarHBondContact SG-CB 3.46Å; C191-C246 CovalentContact SG-SG 2.03Å; C191-C246 PolarHBondContact SG-SG 3.06Å; I192-C246 HydrophobicContact CG1-CB 3.8Å; T195-C246 WeakPolarHBondContact CB-O 3.34Å; T195-C246 PolarHBondContact OG1-O 3.03Å; G242-C246 WeakPolarHBondContact O-CB 3.47Å; G242-C246 PolarHBondContact O-N 2.89Å; G242-C246 PolarHBondContact O-SG 3.45Å; R244-C246 VanDerWaalsContact C-N 3.27Å; R244-C246 PolarHBondContact O-N 3.41Å; C246-L248 VanDerWaalsContact C-N 3.3Å
247K96.2Very high94.1Very high107 Ų10726.9 Ų26.947%0.46512%0.119SC..THydrogen-bonded Turntrans-82.1-5.9177.4-55.8179.4179.6178.80113.7T195 Q243 R244 L245T195-K247 WeakPolarHBondContact CG2-O 3.44Å; Q243-K247 WeakPolarHBondContact O-CE 3.43Å; R244-K247 WeakPolarHBondContact O-CB 3.44Å; R244-K247 PolarHBondContact O-N 3.15Å; R244-K247 VanDerWaalsContact O-N 3.14Å; L245-K247 PolarHBondContact O-N 3.1Å; L245-K247 VanDerWaalsContact O-N 3.14Å
248L96.6Very high94Very high4 Ų429.5 Ų29.52%0.02113%0.132CC..SBendtrans-101.9127.3177.2-58.9-174.7000109.7V223 L245 C246 Q252 F253 L256V223-L248 HydrophobicContact CB-CD1 4.11Å; V223-L248 HydrophobicContact CB-CD2 4.02Å; V223-L248 HydrophobicContact CB-CG 4.21Å; V223-L248 HydrophobicContact CG1-CD1 3.71Å; V223-L248 HydrophobicContact CG1-CD2 4.4Å; V223-L248 HydrophobicContact CG1-CG 4.03Å; V223-L248 HydrophobicContact CG2-CD2 3.71Å; V223-L248 HydrophobicContact CG2-CG 4.07Å; L245-L248 PolarHBondContact O-N 3.3Å; L245-L248 VanDerWaalsContact O-N 3.1Å; C246-L248 VanDerWaalsContact C-N 3.3Å; L248-Q252 HydrophobicContact CB-CB 4.03Å; L248-Q252 HydrophobicContact CD2-CB 4.1Å; L248-F253 HydrophobicContact CB-CB 4.24Å; L248-L256 HydrophobicContact CD1-CB 4.11Å; L248-L256 HydrophobicContact CD1-CD2 3.74Å; L248-L256 HydrophobicContact CD1-CG 4.45Å
249D96.1Very high93.8Very high6 Ų631.2 Ų31.23%0.03214%0.141CC..  trans-66.2162.5164.376.157000110.7W154 F251 Q252 F253W154-D249 HydrophobicContact CH2-CB 3.77Å; W154-D249 HydrophobicContact CZ3-CB 4.01Å; D249-F251 VanDerWaalsContact C-N 3.26Å; D249-F251 PolarHBondContact O-N 2.68Å; D249-F251 VanDerWaalsContact O-N 3.15Å; D249-F251 WeakPolarHBondContact OD1-CA 3.41Å; D249-F251 WeakPolarHBondContact OD1-CB 3.22Å; D249-F251 PolarHBondContact OD1-N 2.97Å; D249-Q252 WeakPolarHBondContact O-CB 3.38Å; D249-Q252 PolarHBondContact O-N 3.4Å; D249-Q252 VanDerWaalsContact O-N 3.14Å; D249-Q252 PolarHBondContact OD1-N 3.14Å; D249-Q252 VanDerWaalsContact OD2-CG 3.22Å; D249-Q252 WeakPolarHBondContact OD2-CG 3.43Å; D249-Q252 PolarHBondContact OD2-NE2 3.19Å; D249-F253 WeakPolarHBondContact O-CB 3.38Å; D249-F253 PolarHBondContact O-N 3.38Å
250P95.4Very high93.5Very high6 Ų629.3 Ų29.34%0.03913%0.131CC..Hα-helixtrans-50.8-37.6-179.5-32.336.2000115.9W154 R196 Q254 Y290 S291W154-P250 HydrophobicContact CH2-CG 4.24Å; W154-P250 HydrophobicContact CZ2-CB 4.45Å; W154-P250 HydrophobicContact CZ2-CG 3.84Å; R196-P250 VanDerWaalsContact NH2-CG 3.31Å; P250-Q254 WeakPolarHBondContact O-CB 3.34Å; P250-Q254 PolarHBondContact O-N 3.15Å; P250-Y290 HydrophobicContact CB-CD1 4.23Å; P250-Y290 HydrophobicContact CB-CE1 4.17Å; P250-Y290 HydrophobicContact CG-CD1 3.96Å; P250-Y290 HydrophobicContact CG-CE1 3.71Å; P250-S291 WeakPolarHBondContact CA-OG 3.46Å; P250-S291 WeakPolarHBondContact O-CB 3.43Å
251F94.6Very high93Very high7 Ų730.4 Ų30.43%0.03114%0.135CC..Hα-helixtrans-74.5-40.1-178.3-51.7-68.4000110.8L36 V39 V41 W154 P200 P213 V215 D249 Q254 R255L36-F251 HydrophobicContact CB-CE2 4.19Å; L36-F251 HydrophobicContact CB-CZ 4.19Å; L36-F251 HydrophobicContact CD1-CE2 4.39Å; L36-F251 HydrophobicContact CD2-CE2 3.88Å; L36-F251 HydrophobicContact CD2-CZ 4.17Å; L36-F251 HydrophobicContact CG-CE2 4.39Å; V39-F251 HydrophobicContact CG2-CZ 4.44Å; V41-F251 HydrophobicContact CB-CD1 4.19Å; V41-F251 HydrophobicContact CG2-CB 4.28Å; W154-F251 AromaticContact CH2-CD2 3.91Å; W154-F251 HydrophobicContact CH2-CD2 3.91Å; W154-F251 AromaticContact CH2-CE2 3.67Å; W154-F251 HydrophobicContact CH2-CE2 3.67Å; W154-F251 HydrophobicContact CZ2-CD2 4.12Å; W154-F251 AromaticContact CZ2-CE2 3.51Å; W154-F251 HydrophobicContact CZ2-CE2 3.51Å; W154-F251 HydrophobicContact CZ2-CZ 4.21Å; P200-F251 HydrophobicContact CG-CD2 3.99Å; P200-F251 HydrophobicContact CG-CE2 4.17Å; P213-F251 HydrophobicContact CB-CB 4.41Å; P213-F251 HydrophobicContact CB-CD1 4.25Å; P213-F251 HydrophobicContact CB-CD2 3.66Å; P213-F251 HydrophobicContact CB-CE1 4.45Å; P213-F251 HydrophobicContact CB-CE2 3.88Å; P213-F251 HydrophobicContact CB-CG 3.84Å; P213-F251 HydrophobicContact CB-CZ 4.27Å; P213-F251 HydrophobicContact CG-CD1 3.85Å; P213-F251 HydrophobicContact CG-CD2 3.85Å; P213-F251 HydrophobicContact CG-CE1 3.64Å; P213-F251 HydrophobicContact CG-CE2 3.64Å; P213-F251 HydrophobicContact CG-CG 3.94Å; P213-F251 HydrophobicContact CG-CZ 3.52Å; V215-F251 HydrophobicContact CG2-CB 4.06Å; D249-F251 VanDerWaalsContact C-N 3.26Å; D249-F251 PolarHBondContact O-N 2.68Å; D249-F251 VanDerWaalsContact O-N 3.15Å; D249-F251 WeakPolarHBondContact OD1-CA 3.41Å; D249-F251 WeakPolarHBondContact OD1-CB 3.22Å; D249-F251 PolarHBondContact OD1-N 2.97Å; F251-Q254 PolarHBondContact O-N 3.05Å; F251-R255 PolarHBondContact O-N 3.14Å
252Q95.5Very high92.6Very high21 Ų2139.5 Ų39.510%0.09817%0.169CC..Hα-helixtrans-63.6-42.2171.3-68.9174.115.600112V215 V220 L248 D249 R255 L256V215-Q252 HydrophobicContact CG1-CG 4.01Å; V220-Q252 HydrophobicContact CG2-CB 3.68Å; V220-Q252 HydrophobicContact CG2-CG 4.04Å; V220-Q252 WeakPolarHBondContact CG2-O 3.45Å; L248-Q252 HydrophobicContact CB-CB 4.03Å; L248-Q252 HydrophobicContact CD2-CB 4.1Å; D249-Q252 WeakPolarHBondContact O-CB 3.38Å; D249-Q252 PolarHBondContact O-N 3.4Å; D249-Q252 VanDerWaalsContact O-N 3.14Å; D249-Q252 PolarHBondContact OD1-N 3.14Å; D249-Q252 VanDerWaalsContact OD2-CG 3.22Å; D249-Q252 WeakPolarHBondContact OD2-CG 3.43Å; D249-Q252 PolarHBondContact OD2-NE2 3.19Å; Q252-R255 WeakPolarHBondContact O-CB 3.48Å; Q252-R255 PolarHBondContact O-N 3.34Å; Q252-L256 PolarHBondContact O-N 3.03Å
253F95.2Very high91.8Very high1 Ų145.4 Ų45.40%0.00420%0.195CC..Hα-helixtrans-63.1-44.9176.3-161-57000110.8L245 L248 D249 R255 L256 N257 F268 M287 Y288L245-F253 HydrophobicContact CB-CE2 4.01Å; L245-F253 HydrophobicContact CD1-CE2 4.35Å; L245-F253 HydrophobicContact CD1-CZ 4.35Å; L245-F253 HydrophobicContact CD2-CD2 4.34Å; L245-F253 HydrophobicContact CD2-CE2 3.76Å; L245-F253 HydrophobicContact CD2-CZ 3.99Å; L245-F253 HydrophobicContact CG-CE2 4.26Å; L248-F253 HydrophobicContact CB-CB 4.24Å; D249-F253 WeakPolarHBondContact O-CB 3.38Å; D249-F253 PolarHBondContact O-N 3.38Å; F253-R255 PolarHBondContact O-N 3.18Å; F253-L256 WeakPolarHBondContact O-CB 3.24Å; F253-L256 PolarHBondContact O-N 3.13Å; F253-L256 VanDerWaalsContact O-N 3.13Å; F253-N257 PolarHBondContact O-N 3.28Å; F253-F268 HydrophobicContact CE1-CD1 4.03Å; F253-F268 AromaticContact CE1-CE1 3.6Å; F253-F268 HydrophobicContact CE1-CE1 3.6Å; F253-F268 AromaticContact CZ-CE1 3.69Å; F253-F268 HydrophobicContact CZ-CE1 3.69Å; F253-M287 HydrophobicContact CD2-CE 4.16Å; F253-M287 HydrophobicContact CE2-CB 4.16Å; F253-M287 HydrophobicContact CE2-CE 4Å; F253-Y288 AromaticContact CE1-CD2 3.77Å; F253-Y288 HydrophobicContact CE1-CD2 3.77Å; F253-Y288 HydrophobicContact CE1-CG 4.36Å; F253-Y288 HydrophobicContact CZ-CD2 4.41Å
254Q92.7Very high90.4Very high34 Ų3447.2 Ų47.216%0.15921%0.214CC..Hα-helixtrans-59.4-39.3174.6-168.2173.610.100111.4V41 P250 F251 N257 M258 S291 I292V41-Q254 HydrophobicContact CG1-CG 4.24Å; P250-Q254 WeakPolarHBondContact O-CB 3.34Å; P250-Q254 PolarHBondContact O-N 3.15Å; F251-Q254 PolarHBondContact O-N 3.05Å; Q254-N257 PolarHBondContact O-N 3.13Å; Q254-M258 HydrophobicContact CG-CE 4.31Å; Q254-M258 WeakPolarHBondContact O-CG 3.26Å; Q254-M258 PolarHBondContact O-N 3.17Å; Q254-S291 PolarHBondContact OE1-O 3.16Å; Q254-I292 HydrophobicContact CB-CD1 4.29Å; Q254-I292 HydrophobicContact CG-CD1 4.08Å
255R91.7Very high89Confident71 Ų7149.6 Ų49.627%0.26824%0.237SC..Hα-helixtrans-64.4-41.1174.4-178.461.1-177.7167.80.4112.5V215 V220 F251 Q252 F253 N257 M258 I259V215-R255 HydrophobicContact CG1-CB 3.88Å; V215-R255 HydrophobicContact CG1-CG 4Å; V220-R255 HydrophobicContact CG1-CB 4.49Å; V220-R255 HydrophobicContact CG1-CG 4.15Å; V220-R255 HydrophobicContact CG2-CB 4.34Å; V220-R255 HydrophobicContact CG2-CG 4.37Å; F251-R255 PolarHBondContact O-N 3.14Å; Q252-R255 WeakPolarHBondContact O-CB 3.48Å; Q252-R255 PolarHBondContact O-N 3.34Å; F253-R255 PolarHBondContact O-N 3.18Å; R255-N257 VanDerWaalsContact C-N 3.32Å; R255-N257 PolarHBondContact O-N 3.37Å; R255-M258 WeakPolarHBondContact O-CB 3.3Å; R255-M258 PolarHBondContact O-N 3.32Å; R255-I259 PolarHBondContact O-N 2.96Å
256L93Very high87.8Confident0 Ų055.8 Ų55.80%026%0.26CS..Hα-helixtrans-56.6-47.3172.6178.968.8000110.6V220 V223 F224 I227 L245 L248 Q252 F253 M258 I259 Y260 F268V220-L256 HydrophobicContact CG1-CB 4.07Å; V220-L256 HydrophobicContact CG1-CD1 4.36Å; V223-L256 HydrophobicContact CG1-CD2 4.43Å; F224-L256 HydrophobicContact CB-CD1 3.62Å; F224-L256 HydrophobicContact CD2-CD1 3.79Å; F224-L256 HydrophobicContact CG-CD1 4.2Å; I227-L256 HydrophobicContact CD1-CD2 4.02Å; L245-L256 HydrophobicContact CD2-CD2 3.7Å; L248-L256 HydrophobicContact CD1-CB 4.11Å; L248-L256 HydrophobicContact CD1-CD2 3.74Å; L248-L256 HydrophobicContact CD1-CG 4.45Å; Q252-L256 PolarHBondContact O-N 3.03Å; F253-L256 WeakPolarHBondContact O-CB 3.24Å; F253-L256 PolarHBondContact O-N 3.13Å; F253-L256 VanDerWaalsContact O-N 3.13Å; L256-M258 VanDerWaalsContact C-N 3.3Å; L256-M258 PolarHBondContact O-N 3.22Å; L256-I259 WeakPolarHBondContact O-CB 3.41Å; L256-I259 PolarHBondContact O-N 3.5Å; L256-Y260 HydrophobicContact CD1-CD2 4.26Å; L256-Y260 HydrophobicContact CD1-CE2 4Å; L256-Y260 HydrophobicContact CG-CD2 4.23Å; L256-Y260 HydrophobicContact CG-CE2 4.22Å; L256-Y260 PolarHBondContact O-N 2.51Å; L256-Y260 VanDerWaalsContact O-N 3.15Å; L256-F268 HydrophobicContact CD2-CE1 4.24Å; L256-F268 HydrophobicContact CD2-CZ 4.19Å
257N91.4Very high87.2Confident4 Ų460.3 Ų60.32%0.02128%0.281CS..Hα-helixtrans-61-38.1178.1-170.836.6000112.4F253 Q254 R255 I259 Y260 K261 Y288 I292F253-N257 PolarHBondContact O-N 3.28Å; Q254-N257 PolarHBondContact O-N 3.13Å; R255-N257 VanDerWaalsContact C-N 3.32Å; R255-N257 PolarHBondContact O-N 3.37Å; N257-I259 VanDerWaalsContact C-N 3.27Å; N257-I259 PolarHBondContact O-N 3.3Å; N257-Y260 PolarHBondContact O-N 3.38Å; N257-K261 WeakPolarHBondContact O-CG 3.49Å; N257-K261 PolarHBondContact O-N 2.94Å; N257-Y288 HydrophobicContact CB-CE2 4.48Å; N257-Y288 PolarHBondContact ND2-OH 3.3Å; N257-Y288 PolarHBondContact OD1-OH 3.21Å; N257-I292 HydrophobicContact CB-CD1 3.55Å; N257-I292 WeakPolarHBondContact ND2-CD1 3.41Å; N257-I292 WeakPolarHBondContact ND2-CG1 3.4Å
258M88.2Confident86.8Confident57 Ų5755.2 Ų55.228%0.28126%0.258SS..Hα-helixtrans-62.7-31.8174.3-68.2178-18000113.1V41 Q254 R255 L256V41-M258 HydrophobicContact CG1-CE 3.96Å; Q254-M258 HydrophobicContact CG-CE 4.31Å; Q254-M258 WeakPolarHBondContact O-CG 3.26Å; Q254-M258 PolarHBondContact O-N 3.17Å; R255-M258 WeakPolarHBondContact O-CB 3.3Å; R255-M258 PolarHBondContact O-N 3.32Å; L256-M258 VanDerWaalsContact C-N 3.3Å; L256-M258 PolarHBondContact O-N 3.22Å
259I88.4Confident86.3Confident38 Ų3855.1 Ų55.120%0.19526%0.258CS..Hα-helixtrans-68-46.2174.3-64.5168.7000109.8V220 F224 R255 L256 N257 K261 R262V220-I259 HydrophobicContact CG1-CD1 3.72Å; F224-I259 HydrophobicContact CD2-CG2 3.98Å; F224-I259 HydrophobicContact CE2-CG2 3.76Å; F224-I259 HydrophobicContact CZ-CG2 4.13Å; R255-I259 PolarHBondContact O-N 2.96Å; L256-I259 WeakPolarHBondContact O-CB 3.41Å; L256-I259 PolarHBondContact O-N 3.5Å; N257-I259 VanDerWaalsContact C-N 3.27Å; N257-I259 PolarHBondContact O-N 3.3Å; I259-K261 PolarHBondContact O-N 2.96Å; I259-R262 WeakPolarHBondContact O-CB 3.18Å; I259-R262 PolarHBondContact O-N 3.37Å
260Y85.6Confident85.8Confident19 Ų1959 Ų598%0.07528%0.276CS..Hα-helixtrans-61.9-39.8176.9-89.4-88.7000112.9F224 I227 L256 N257 R262 K263 F268F224-Y260 HydrophobicContact CD2-CD2 4.06Å; F224-Y260 AromaticContact CD2-CE2 3.55Å; F224-Y260 HydrophobicContact CD2-CE2 3.55Å; F224-Y260 HydrophobicContact CE2-CD2 4.01Å; F224-Y260 HydrophobicContact CE2-CE1 4.45Å; F224-Y260 AromaticContact CE2-CE2 3.65Å; F224-Y260 HydrophobicContact CE2-CE2 3.65Å; F224-Y260 AromaticContact CE2-CZ 3.89Å; I227-Y260 WeakPolarHBondContact CG2-OH 3.32Å; L256-Y260 HydrophobicContact CD1-CD2 4.26Å; L256-Y260 HydrophobicContact CD1-CE2 4Å; L256-Y260 HydrophobicContact CG-CD2 4.23Å; L256-Y260 HydrophobicContact CG-CE2 4.22Å; L256-Y260 PolarHBondContact O-N 2.51Å; L256-Y260 VanDerWaalsContact O-N 3.15Å; N257-Y260 PolarHBondContact O-N 3.38Å; Y260-R262 PolarHBondContact O-N 3.37Å; Y260-R262 VanDerWaalsContact O-N 3.08Å; Y260-K263 WeakPolarHBondContact O-CB 3.41Å; Y260-K263 PolarHBondContact O-N 3.3Å; Y260-F268 HydrophobicContact CD1-CB 4.19Å; Y260-F268 HydrophobicContact CD1-CD2 4.09Å; Y260-F268 HydrophobicContact CD2-CB 4.05Å; Y260-F268 AromaticContact CD2-CD2 3.71Å; Y260-F268 HydrophobicContact CD2-CD2 3.71Å; Y260-F268 HydrophobicContact CD2-CE2 4.48Å; Y260-F268 AromaticContact CD2-CG 4Å; Y260-F268 HydrophobicContact CD2-CG 4Å; Y260-F268 AromaticContact CE1-CD2 3.96Å; Y260-F268 HydrophobicContact CE1-CD2 3.96Å; Y260-F268 AromaticContact CE2-CD2 3.55Å; Y260-F268 HydrophobicContact CE2-CD2 3.55Å; Y260-F268 AromaticContact CE2-CE2 3.95Å; Y260-F268 HydrophobicContact CE2-CE2 3.95Å; Y260-F268 HydrophobicContact CE2-CG 4.28Å; Y260-F268 HydrophobicContact CG-CB 3.75Å; Y260-F268 AromaticContact CG-CD2 3.98Å; Y260-F268 HydrophobicContact CG-CD2 3.98Å; Y260-F268 HydrophobicContact CG-CG 4.16Å; Y260-F268 AromaticContact CZ-CD2 3.69Å
261K83.3Confident85.4Confident100 Ų10059 Ų5944%0.43528%0.277SS..THydrogen-bonded Turntrans-59.9-19.9176.5-76.9-172.5176.6-171.40114.4N257 I259 K263N257-K261 WeakPolarHBondContact O-CG 3.49Å; N257-K261 PolarHBondContact O-N 2.94Å; I259-K261 PolarHBondContact O-N 2.96Å; K261-K263 VanDerWaalsContact C-N 3.32Å
262R83.8Confident85.2Confident190 Ų19058.7 Ų58.772%0.71728%0.275SS*.THydrogen-bonded Turntrans-84.6-6.4175.6-65173.8178.9-167.3-5.5112.9I259 Y260I259-R262 WeakPolarHBondContact O-CB 3.18Å; I259-R262 PolarHBondContact O-N 3.37Å; Y260-R262 PolarHBondContact O-N 3.37Å; Y260-R262 VanDerWaalsContact O-N 3.08Å
263K77.5Confident84.8Confident125 Ų12561.6 Ų61.654%0.54329%0.289SS..SBendtrans-94.2140.4177.5-63-67.4-172.3173.30109.6Y260 K261 V265Y260-K263 WeakPolarHBondContact O-CB 3.41Å; Y260-K263 PolarHBondContact O-N 3.3Å; K261-K263 VanDerWaalsContact C-N 3.32Å; K263-V265 VanDerWaalsContact C-N 3.34Å; K263-V265 PolarHBondContact O-N 3.46Å
264P65.6Low84.5Confident126 Ų12665.1 Ų65.182%0.81831%0.313SS*.SBendtrans-78.5-13.8-174.328.5-33.6000114.4
265V65.4Low84.3Confident122 Ų12266.4 Ų66.474%0.73932%0.317SS*.SBendtrans-92.3-50.1-160.5-171.60000113.5K263K263-V265 VanDerWaalsContact C-N 3.34Å; K263-V265 PolarHBondContact O-N 3.46Å
266R71.9Confident84.3Confident129 Ų12963.5 Ų63.549%0.48731%0.307SS..  trans-149.8140.1-178.4-73.4-175.5-172.2173.12.1110.9V271R266-V271 HydrophobicContact CB-CG2 4Å
267Q83.7Confident84.3Confident99 Ų9966.9 Ų66.946%0.46333%0.33SS..  trans-77.1149.9170.9-56.7-167.534.200110.1G269 E270 V271Q267-G269 PolarHBondContact O-N 3.43Å; Q267-E270 HydrophobicContact CB-CG 4.14Å; Q267-E270 PolarHBondContact N-OE2 3.27Å; Q267-E270 PolarHBondContact O-N 3.46Å; Q267-V271 PolarHBondContact O-N 2.84Å
268F87.3Confident84.4Confident0 Ų069 Ų690%035%0.354CS..Hα-helixtrans-62.3-33.6-176.9-169.5-122.3000112.6I227 L245 F253 L256 Y260 V271 L272 Y288I227-F268 HydrophobicContact CD1-CZ 4.38Å; I227-F268 HydrophobicContact CG2-CE2 4.29Å; L245-F268 HydrophobicContact CD1-CE1 4.41Å; L245-F268 HydrophobicContact CD1-CZ 3.89Å; L245-F268 HydrophobicContact CD2-CE1 4.07Å; L245-F268 HydrophobicContact CD2-CZ 3.72Å; L245-F268 HydrophobicContact CG-CZ 4.4Å; F253-F268 HydrophobicContact CE1-CD1 4.03Å; F253-F268 AromaticContact CE1-CE1 3.6Å; F253-F268 HydrophobicContact CE1-CE1 3.6Å; F253-F268 AromaticContact CZ-CE1 3.69Å; F253-F268 HydrophobicContact CZ-CE1 3.69Å; L256-F268 HydrophobicContact CD2-CE1 4.24Å; L256-F268 HydrophobicContact CD2-CZ 4.19Å; Y260-F268 HydrophobicContact CD1-CB 4.19Å; Y260-F268 HydrophobicContact CD1-CD2 4.09Å; Y260-F268 HydrophobicContact CD2-CB 4.05Å; Y260-F268 AromaticContact CD2-CD2 3.71Å; Y260-F268 HydrophobicContact CD2-CD2 3.71Å; Y260-F268 HydrophobicContact CD2-CE2 4.48Å; Y260-F268 AromaticContact CD2-CG 4Å; Y260-F268 HydrophobicContact CD2-CG 4Å; Y260-F268 AromaticContact CE1-CD2 3.96Å; Y260-F268 HydrophobicContact CE1-CD2 3.96Å; Y260-F268 AromaticContact CE2-CD2 3.55Å; Y260-F268 HydrophobicContact CE2-CD2 3.55Å; Y260-F268 AromaticContact CE2-CE2 3.95Å; Y260-F268 HydrophobicContact CE2-CE2 3.95Å; Y260-F268 HydrophobicContact CE2-CG 4.28Å; Y260-F268 HydrophobicContact CG-CB 3.75Å; Y260-F268 AromaticContact CG-CD2 3.98Å; Y260-F268 HydrophobicContact CG-CD2 3.98Å; Y260-F268 HydrophobicContact CG-CG 4.16Å; Y260-F268 AromaticContact CZ-CD2 3.69Å; F268-V271 WeakPolarHBondContact O-CB 3.35Å; F268-V271 PolarHBondContact O-N 3.18Å; F268-L272 HydrophobicContact CD1-CD1 4.31Å; F268-L272 HydrophobicContact CE1-CD1 3.97Å; F268-L272 HydrophobicContact CE1-CD2 4.35Å; F268-L272 HydrophobicContact CE1-CG 4.21Å; F268-L272 HydrophobicContact CZ-CD1 4.49Å; F268-L272 HydrophobicContact CZ-CD2 4.06Å; F268-L272 HydrophobicContact CZ-CG 4.28Å; F268-L272 PolarHBondContact O-N 3.39Å; F268-L272 VanDerWaalsContact O-N 3.07Å; F268-Y288 HydrophobicContact CB-CE2 4.33Å; F268-Y288 AromaticContact CD1-CD2 3.83Å; F268-Y288 HydrophobicContact CD1-CD2 3.83Å; F268-Y288 AromaticContact CD1-CE2 3.9Å; F268-Y288 HydrophobicContact CD1-CE2 3.9Å; F268-Y288 HydrophobicContact CE1-CD2 4.36Å
269G86.7Confident84.7Confident2 Ų270.4 Ų70.42%0.02136%0.36CS..Hα-helixtrans-65.2-42.8176.200000114.1Q267 V271 L272 E273 L384Q267-G269 PolarHBondContact O-N 3.43Å; G269-V271 PolarHBondContact O-N 3.39Å; G269-L272 WeakPolarHBondContact O-CB 3.13Å; G269-L272 PolarHBondContact O-N 3.25Å; G269-L272 VanDerWaalsContact O-N 3.07Å; G269-E273 PolarHBondContact O-N 3.29Å; G269-L384 VanDerWaalsContact CA-CD1 3.4Å
270E85Confident85Confident87 Ų8769.7 Ų69.741%0.40736%0.356SS..Hα-helixtrans-61-33174.2-62.4163.8-177.200111.5Q267 S274Q267-E270 HydrophobicContact CB-CG 4.14Å; Q267-E270 PolarHBondContact N-OE2 3.27Å; Q267-E270 PolarHBondContact O-N 3.46Å; E270-S274 VanDerWaalsContact O-CB 3.3Å; E270-S274 WeakPolarHBondContact O-CB 3.45Å; E270-S274 PolarHBondContact O-N 2.89Å; E270-S274 PolarHBondContact O-OG 3.43Å
271V86Confident85.4Confident8 Ų869 Ų695%0.04835%0.354CS..Hα-helixtrans-66.4-45174.1173.80000110.8L231 R266 Q267 F268 G269 S274 R275L231-V271 HydrophobicContact CD1-CG1 3.63Å; L231-V271 HydrophobicContact CD2-CG1 3.39Å; L231-V271 HydrophobicContact CG-CG1 4.16Å; R266-V271 HydrophobicContact CB-CG2 4Å; Q267-V271 PolarHBondContact O-N 2.84Å; F268-V271 WeakPolarHBondContact O-CB 3.35Å; F268-V271 PolarHBondContact O-N 3.18Å; G269-V271 PolarHBondContact O-N 3.39Å; V271-S274 PolarHBondContact O-N 2.7Å; V271-S274 PolarHBondContact O-OG 3.01Å; V271-R275 HydrophobicContact CG1-CG 4.14Å; V271-R275 WeakPolarHBondContact O-CB 3.37Å; V271-R275 VanDerWaalsContact O-CG 3.27Å; V271-R275 WeakPolarHBondContact O-CG 3.46Å; V271-R275 PolarHBondContact O-N 3.48Å
272L90.5Very high86Confident0 Ų066.5 Ų66.50%035%0.345CS..Hα-helixtrans-61.4-46176.4-67.2176.6000111.2L241 L245 F268 G269 S274 T276 L284 Y288 L384L241-L272 HydrophobicContact CD1-CD2 4.3Å; L245-L272 HydrophobicContact CD1-CD2 3.92Å; F268-L272 HydrophobicContact CD1-CD1 4.31Å; F268-L272 HydrophobicContact CE1-CD1 3.97Å; F268-L272 HydrophobicContact CE1-CD2 4.35Å; F268-L272 HydrophobicContact CE1-CG 4.21Å; F268-L272 HydrophobicContact CZ-CD1 4.49Å; F268-L272 HydrophobicContact CZ-CD2 4.06Å; F268-L272 HydrophobicContact CZ-CG 4.28Å; F268-L272 PolarHBondContact O-N 3.39Å; F268-L272 VanDerWaalsContact O-N 3.07Å; G269-L272 WeakPolarHBondContact O-CB 3.13Å; G269-L272 PolarHBondContact O-N 3.25Å; G269-L272 VanDerWaalsContact O-N 3.07Å; L272-S274 PolarHBondContact O-N 3.22Å; L272-T276 WeakPolarHBondContact O-CB 3.03Å; L272-T276 PolarHBondContact O-N 2.8Å; L272-T276 PolarHBondContact O-OG1 2.93Å; L272-L284 HydrophobicContact CD2-CB 4.42Å; L272-Y288 HydrophobicContact CD1-CD2 3.72Å; L272-Y288 HydrophobicContact CD1-CG 3.93Å; L272-L384 HydrophobicContact CB-CD1 4.49Å; L272-L384 HydrophobicContact CD1-CD1 4.34Å
273E88.8Confident86.6Confident81 Ų8157.5 Ų57.538%0.37931%0.311SS..Hα-helixtrans-62.2-40.5178.4-70.4175.8167.400113G269 L384G269-E273 PolarHBondContact O-N 3.29Å; E273-L384 HydrophobicContact CG-CD2 4.27Å; E273-L384 WeakPolarHBondContact OE1-CB 3.44Å; E273-L384 VanDerWaalsContact OE1-CD2 3.24Å; E273-L384 WeakPolarHBondContact OE1-CD2 3.33Å
274S87.5Confident87.5Confident75 Ų7551.5 Ų51.552%0.52429%0.285SS..Hα-helixtrans-86-15.9-176.4600000115.3E270 V271 L272E270-S274 VanDerWaalsContact O-CB 3.3Å; E270-S274 WeakPolarHBondContact O-CB 3.45Å; E270-S274 PolarHBondContact O-N 2.89Å; E270-S274 PolarHBondContact O-OG 3.43Å; V271-S274 PolarHBondContact O-N 2.7Å; V271-S274 PolarHBondContact O-OG 3.01Å; L272-S274 PolarHBondContact O-N 3.22Å
275R89.5Confident88.9Confident61 Ų6145.6 Ų45.623%0.2325%0.246CC..Hα-helixtrans-119.11.3-170.4-59.4-59.8-148.8178.711.7115.1L231 V237 V271L231-R275 HydrophobicContact CD2-CB 4.31Å; L231-R275 HydrophobicContact CD2-CG 3.97Å; L231-R275 PolarHBondContact O-NH2 2.93Å; V237-R275 HydrophobicContact CG2-CB 3.84Å; V237-R275 WeakPolarHBondContact CG2-O 3.49Å; V237-R275 PolarHBondContact N-O 3.37Å; V271-R275 HydrophobicContact CG1-CG 4.14Å; V271-R275 WeakPolarHBondContact O-CB 3.37Å; V271-R275 VanDerWaalsContact O-CG 3.27Å; V271-R275 WeakPolarHBondContact O-CG 3.46Å; V271-R275 PolarHBondContact O-N 3.48Å
276T91.9Very high90.4Very high11 Ų1140.2 Ų40.27%0.06722%0.215CC..  trans-133.3149.1-179.2680000110.6D236 L241 L272 H281 L284D236-T276 WeakPolarHBondContact OD1-CA 3.24Å; L241-T276 HydrophobicContact CD1-CG2 3.65Å; L272-T276 WeakPolarHBondContact O-CB 3.03Å; L272-T276 PolarHBondContact O-N 2.8Å; L272-T276 PolarHBondContact O-OG1 2.93Å; T276-H281 WeakPolarHBondContact OG1-CB 3.34Å; T276-H281 PolarHBondContact OG1-ND1 2.86Å; T276-L284 HydrophobicContact CG2-CD1 3.82Å
277S91.5Very high91.6Very high70 Ų7034.2 Ų34.249%0.4919%0.193SC..  trans-137.5169.317578.30000113.3D236 H281D236-S277 WeakPolarHBondContact OD2-CB 3.48Å; D236-S277 PolarHBondContact OD2-N 2.75Å; D236-S277 PolarHBondContact OD2-OG 2.83Å; S277-H281 VanDerWaalsContact C-CB 3.43Å; S277-H281 WeakPolarHBondContact O-CB 3.27Å; S277-H281 PolarHBondContact O-N 3.37Å
278G93.7Very high92.1Very high50 Ų5029.9 Ų29.952%0.51517%0.172SC..Hα-helixtrans61.6-148.3172.800000114.9L280 H281 N282G278-L280 VanDerWaalsContact C-N 3.31Å; G278-L280 PolarHBondContact O-N 3.28Å; G278-H281 WeakPolarHBondContact O-CB 3.47Å; G278-H281 PolarHBondContact O-N 3.49Å; G278-N282 PolarHBondContact O-N 2.78Å
279Q95Very high92.5Very high85 Ų8530.4 Ų30.440%0.39718%0.175SC..Hα-helixtrans-62.5-34.8-175.1-70.6-177.3-1800113.4L143 F181 V185 N282 I283L143-Q279 HydrophobicContact CD2-CB 3.48Å; L143-Q279 VanDerWaalsContact CD2-CB 3.48Å; L143-Q279 HydrophobicContact CD2-CG 3.6Å; F181-Q279 PolarHBondContact O-OE1 3.41Å; F181-Q279 VanDerWaalsContact O-OE1 3.11Å; V185-Q279 HydrophobicContact CG2-CB 3.85Å; Q279-N282 PolarHBondContact O-N 2.82Å; Q279-I283 WeakPolarHBondContact O-CG1 3.4Å; Q279-I283 PolarHBondContact O-N 3.31Å; Q279-I283 VanDerWaalsContact O-N 3.15Å
280L94.2Very high92.9Very high24 Ų2430.4 Ų30.413%0.12617%0.174CC..Hα-helixtrans-69-38.1177.4-72178.6000112.1S184 Q239 G278 N282 I283 L284S184-L280 WeakPolarHBondContact OG-CD1 3.42Å; Q239-L280 HydrophobicContact CB-CD1 4.07Å; G278-L280 VanDerWaalsContact C-N 3.31Å; G278-L280 PolarHBondContact O-N 3.28Å; L280-N282 VanDerWaalsContact C-N 3.31Å; L280-N282 PolarHBondContact O-N 2.94Å; L280-I283 PolarHBondContact O-N 3.36Å; L280-L284 WeakPolarHBondContact O-CB 3.49Å; L280-L284 VanDerWaalsContact O-CG 3.28Å; L280-L284 WeakPolarHBondContact O-CG 3.33Å; L280-L284 PolarHBondContact O-N 3.08Å
281H94.6Very high93.4Very high4 Ų426.6 Ų26.62%0.01916%0.157CC..Hα-helixtrans-55.3-49170.8170.580.8000110.8T276 S277 G278 I283 L284 V285T276-H281 WeakPolarHBondContact OG1-CB 3.34Å; T276-H281 PolarHBondContact OG1-ND1 2.86Å; S277-H281 VanDerWaalsContact C-CB 3.43Å; S277-H281 WeakPolarHBondContact O-CB 3.27Å; S277-H281 PolarHBondContact O-N 3.37Å; G278-H281 WeakPolarHBondContact O-CB 3.47Å; G278-H281 PolarHBondContact O-N 3.49Å; H281-I283 VanDerWaalsContact C-N 3.32Å; H281-I283 PolarHBondContact O-N 3.07Å; H281-L284 PolarHBondContact O-N 3.43Å; H281-L284 VanDerWaalsContact O-N 3.16Å; H281-V285 VanDerWaalsContact CE1-CG2 3.42Å; H281-V285 WeakPolarHBondContact CE1-CG2 3.39Å; H281-V285 WeakPolarHBondContact O-CB 3.38Å; H281-V285 WeakPolarHBondContact O-CG2 3.35Å; H281-V285 PolarHBondContact O-N 3.25Å
282N95.5Very high93.6Very high48 Ų4826.7 Ų26.726%0.25716%0.157SC..Hα-helixtrans-59.6-41.1-179.1-67.3-8.7000112.5G278 Q279 L280 A286G278-N282 PolarHBondContact O-N 2.78Å; Q279-N282 PolarHBondContact O-N 2.82Å; L280-N282 VanDerWaalsContact C-N 3.31Å; L280-N282 PolarHBondContact O-N 2.94Å; N282-A286 VanDerWaalsContact O-CB 3.3Å; N282-A286 WeakPolarHBondContact O-CB 3.47Å; N282-A286 PolarHBondContact O-N 3.45Å
283I97Very high93.6Very high0 Ų026.9 Ų26.90%016%0.158CC..Hα-helixtrans-66.4-45.8176.3-64.8163.3000111L143 T147 V185 T188 L189 I192 Q279 L280 H281 A286 M287L143-I283 HydrophobicContact CD1-CD1 4.3Å; L143-I283 HydrophobicContact CD1-CG1 4.41Å; L143-I283 HydrophobicContact CD2-CD1 4.48Å; L143-I283 HydrophobicContact CD2-CG1 4.45Å; T147-I283 HydrophobicContact CG2-CG1 4.36Å; T147-I283 HydrophobicContact CG2-CG2 4.35Å; V185-I283 HydrophobicContact CB-CD1 4.22Å; V185-I283 HydrophobicContact CG1-CD1 3.72Å; V185-I283 HydrophobicContact CG2-CD1 3.99Å; T188-I283 HydrophobicContact CG2-CG2 4.18Å; L189-I283 HydrophobicContact CD2-CD1 4.33Å; L189-I283 HydrophobicContact CD2-CG1 4.35Å; L189-I283 HydrophobicContact CD2-CG2 3.99Å; L189-I283 HydrophobicContact CG-CD1 4.21Å; I192-I283 HydrophobicContact CD1-CG2 3.92Å; Q279-I283 WeakPolarHBondContact O-CG1 3.4Å; Q279-I283 PolarHBondContact O-N 3.31Å; Q279-I283 VanDerWaalsContact O-N 3.15Å; L280-I283 PolarHBondContact O-N 3.36Å; H281-I283 VanDerWaalsContact C-N 3.32Å; H281-I283 PolarHBondContact O-N 3.07Å; I283-A286 WeakPolarHBondContact O-CB 3.36Å; I283-A286 PolarHBondContact O-N 3.28Å; I283-M287 HydrophobicContact CG2-SD 4.41Å; I283-M287 WeakPolarHBondContact O-CG 3.47Å; I283-M287 PolarHBondContact O-N 3.45Å
284L96Very high93.8Very high0 Ų023.8 Ų23.80%014%0.143CC..Hα-helixtrans-66.7-39.3-178.6-72.6176.4000112.5L241 L245 L272 T276 L280 H281 M287 Y288L241-L284 HydrophobicContact CB-CD1 4.04Å; L245-L284 HydrophobicContact CB-CD2 4.18Å; L245-L284 HydrophobicContact CD1-CD2 3.78Å; L272-L284 HydrophobicContact CD2-CB 4.42Å; T276-L284 HydrophobicContact CG2-CD1 3.82Å; L280-L284 WeakPolarHBondContact O-CB 3.49Å; L280-L284 VanDerWaalsContact O-CG 3.28Å; L280-L284 WeakPolarHBondContact O-CG 3.33Å; L280-L284 PolarHBondContact O-N 3.08Å; H281-L284 PolarHBondContact O-N 3.43Å; H281-L284 VanDerWaalsContact O-N 3.16Å; L284-M287 HydrophobicContact CD2-SD 4.08Å; L284-M287 PolarHBondContact O-N 3.36Å; L284-Y288 WeakPolarHBondContact O-CB 3.49Å; L284-Y288 PolarHBondContact O-N 2.74Å
285V95.6Very high94.2Very high1 Ų120.3 Ų20.31%0.00612%0.119CC..Hα-helixtrans-65.8-41173.1169.10000110.8H281 Y288 N289 L384 A386H281-V285 VanDerWaalsContact CE1-CG2 3.42Å; H281-V285 WeakPolarHBondContact CE1-CG2 3.39Å; H281-V285 WeakPolarHBondContact O-CB 3.38Å; H281-V285 WeakPolarHBondContact O-CG2 3.35Å; H281-V285 PolarHBondContact O-N 3.25Å; V285-Y288 PolarHBondContact O-N 3.31Å; V285-N289 WeakPolarHBondContact O-CB 3.07Å; V285-N289 PolarHBondContact O-N 2.72Å; V285-L384 HydrophobicContact CG1-CB 4.01Å; V285-L384 HydrophobicContact CG2-CD1 4.5Å; V285-A386 HydrophobicContact CG1-CB 4.27Å
286A96.7Very high94.4Very high10 Ų1018.3 Ų18.38%0.08311%0.113CC..Hα-helixtrans-61.3-45.8174.200000111.7T147 I151 N282 I283 Y288 N289 Y290 Y297T147-A286 HydrophobicContact CG2-CB 3.82Å; I151-A286 HydrophobicContact CD1-CB 4.11Å; N282-A286 VanDerWaalsContact O-CB 3.3Å; N282-A286 WeakPolarHBondContact O-CB 3.47Å; N282-A286 PolarHBondContact O-N 3.45Å; I283-A286 WeakPolarHBondContact O-CB 3.36Å; I283-A286 PolarHBondContact O-N 3.28Å; A286-Y288 PolarHBondContact O-N 2.97Å; A286-N289 PolarHBondContact O-N 2.7Å; A286-Y290 WeakPolarHBondContact O-CB 3.26Å; A286-Y290 PolarHBondContact O-N 3Å; A286-Y297 HydrophobicContact CB-CE2 4.13Å
287M96.1Very high94.6Very high3 Ų318.3 Ų18.32%0.01511%0.112CC..Hα-helixtrans-58-46.7173.9-72.2176.571.300112I192 L245 F253 I283 L284 S291I192-M287 HydrophobicContact CD1-CE 4.05Å; I192-M287 HydrophobicContact CD1-CG 3.79Å; I192-M287 HydrophobicContact CD1-SD 3.28Å; I192-M287 WeakPolarHBondContact CD1-SD 3.4Å; I192-M287 HydrophobicContact CG1-CE 3.84Å; I192-M287 HydrophobicContact CG1-SD 3.75Å; L245-M287 HydrophobicContact CB-CE 4.42Å; L245-M287 WeakPolarHBondContact O-CE 3.47Å; F253-M287 HydrophobicContact CD2-CE 4.16Å; F253-M287 HydrophobicContact CE2-CB 4.16Å; F253-M287 HydrophobicContact CE2-CE 4Å; I283-M287 HydrophobicContact CG2-SD 4.41Å; I283-M287 WeakPolarHBondContact O-CG 3.47Å; I283-M287 PolarHBondContact O-N 3.45Å; L284-M287 HydrophobicContact CD2-SD 4.08Å; L284-M287 PolarHBondContact O-N 3.36Å; M287-S291 VanDerWaalsContact O-CB 3.27Å; M287-S291 WeakPolarHBondContact O-CB 3.49Å; M287-S291 PolarHBondContact O-N 3.38Å; M287-S291 PolarHBondContact O-OG 3.07Å
288Y95.5Very high94.8Very high8 Ų815.1 Ų15.13%0.0319%0.089CC..Hα-helixtrans-59.4-56.1177.8178-84.5000110.3F253 N257 F268 L272 L284 V285 A286 Y290 S291 I292 L384F253-Y288 AromaticContact CE1-CD2 3.77Å; F253-Y288 HydrophobicContact CE1-CD2 3.77Å; F253-Y288 HydrophobicContact CE1-CG 4.36Å; F253-Y288 HydrophobicContact CZ-CD2 4.41Å; N257-Y288 HydrophobicContact CB-CE2 4.48Å; N257-Y288 PolarHBondContact ND2-OH 3.3Å; N257-Y288 PolarHBondContact OD1-OH 3.21Å; F268-Y288 HydrophobicContact CB-CE2 4.33Å; F268-Y288 AromaticContact CD1-CD2 3.83Å; F268-Y288 HydrophobicContact CD1-CD2 3.83Å; F268-Y288 AromaticContact CD1-CE2 3.9Å; F268-Y288 HydrophobicContact CD1-CE2 3.9Å; F268-Y288 HydrophobicContact CE1-CD2 4.36Å; L272-Y288 HydrophobicContact CD1-CD2 3.72Å; L272-Y288 HydrophobicContact CD1-CG 3.93Å; L284-Y288 WeakPolarHBondContact O-CB 3.49Å; L284-Y288 PolarHBondContact O-N 2.74Å; V285-Y288 PolarHBondContact O-N 3.31Å; A286-Y288 PolarHBondContact O-N 2.97Å; Y288-Y290 PolarHBondContact O-N 2.95Å; Y288-S291 PolarHBondContact O-N 2.92Å; Y288-S291 VanDerWaalsContact O-N 3.08Å; Y288-I292 HydrophobicContact CD1-CG1 4.02Å; Y288-I292 HydrophobicContact CD2-CG1 4.26Å; Y288-I292 HydrophobicContact CE1-CB 4.44Å; Y288-I292 HydrophobicContact CE1-CG1 3.73Å; Y288-I292 HydrophobicContact CE2-CD1 4.43Å; Y288-I292 HydrophobicContact CE2-CG1 3.94Å; Y288-I292 HydrophobicContact CG-CG1 4.27Å; Y288-I292 VanDerWaalsContact O-CG1 3.29Å; Y288-I292 WeakPolarHBondContact O-CG1 3.24Å; Y288-I292 PolarHBondContact O-N 2.77Å; Y288-L384 HydrophobicContact CD1-CD1 3.37Å; Y288-L384 HydrophobicContact CD1-CG 3.74Å; Y288-L384 HydrophobicContact CD2-CD1 4.29Å; Y288-L384 HydrophobicContact CE1-CD1 3.66Å; Y288-L384 HydrophobicContact CE1-CD2 4.41Å; Y288-L384 HydrophobicContact CE1-CG 3.67Å; Y288-L384 HydrophobicContact CG-CD1 3.75Å
289N94.9Very high94.9Very high10 Ų1012.8 Ų12.85%0.0536%0.064CC..Hα-helixtrans-60.9-43.4-176.2-75.8-19.4000112.1V285 A286 S291 I292 N293 Y297 L383 L384V285-N289 WeakPolarHBondContact O-CB 3.07Å; V285-N289 PolarHBondContact O-N 2.72Å; A286-N289 PolarHBondContact O-N 2.7Å; N289-S291 VanDerWaalsContact C-N 3.32Å; N289-S291 PolarHBondContact O-N 3.33Å; N289-I292 PolarHBondContact O-N 3.45Å; N289-N293 CarbonylContact O-C 3.51Å; N289-N293 PolarHBondContact O-N 3.01Å; N289-Y297 HydrophobicContact CB-CD2 3.75Å; N289-Y297 HydrophobicContact CB-CG 4.4Å; N289-L383 HydrophobicContact CB-CD1 4.37Å; N289-L383 HydrophobicContact CB-CD2 3.86Å; N289-L384 PolarHBondContact ND2-O 2.83Å; N289-L384 PolarHBondContact OD1-N 3.33Å
290Y95.8Very high95Very high2 Ų29.6 Ų9.61%0.0085%0.051CC..Hα-helixtrans-57.9-44.3174-176.5-84.1000111.8I151 D152 P250 A286 Y288 K294 Y297 F298I151-Y290 HydrophobicContact CD1-CD2 3.99Å; I151-Y290 HydrophobicContact CD1-CG 3.98Å; I151-Y290 HydrophobicContact CG1-CD2 4.01Å; I151-Y290 HydrophobicContact CG1-CE2 4.47Å; I151-Y290 HydrophobicContact CG1-CG 4.26Å; D152-Y290 HydrophobicContact CB-CE2 4.06Å; D152-Y290 VanDerWaalsContact OD1-CE2 3.22Å; D152-Y290 WeakPolarHBondContact OD1-CE2 3.26Å; D152-Y290 PolarHBondContact OD1-OH 3.17Å; P250-Y290 HydrophobicContact CB-CD1 4.23Å; P250-Y290 HydrophobicContact CB-CE1 4.17Å; P250-Y290 HydrophobicContact CG-CD1 3.96Å; P250-Y290 HydrophobicContact CG-CE1 3.71Å; A286-Y290 WeakPolarHBondContact O-CB 3.26Å; A286-Y290 PolarHBondContact O-N 3Å; Y288-Y290 PolarHBondContact O-N 2.95Å; Y290-K294 HydrophobicContact CD2-CG 4.03Å; Y290-K294 HydrophobicContact CE1-CD 4.44Å; Y290-K294 HydrophobicContact CE1-CG 4.43Å; Y290-K294 HydrophobicContact CE2-CD 4.05Å; Y290-K294 HydrophobicContact CE2-CG 3.73Å; Y290-K294 WeakPolarHBondContact O-CA 3.24Å; Y290-K294 WeakPolarHBondContact O-CB 3.28Å; Y290-K294 PolarHBondContact O-N 2.78Å; Y290-Y297 AromaticContact CD2-CD1 3.86Å; Y290-Y297 HydrophobicContact CD2-CD1 3.86Å; Y290-Y297 AromaticContact CD2-CE1 3.98Å; Y290-Y297 HydrophobicContact CD2-CE1 3.98Å; Y290-F298 HydrophobicContact CD2-CE2 4.15Å; Y290-F298 HydrophobicContact CD2-CZ 4.32Å; Y290-F298 AromaticContact CE2-CE2 3.74Å; Y290-F298 HydrophobicContact CE2-CE2 3.74Å; Y290-F298 AromaticContact CE2-CZ 3.9Å; Y290-F298 HydrophobicContact CE2-CZ 3.9Å
291S94.2Very high95.1Very high7 Ų78.9 Ų8.95%0.0495%0.047CC..Hα-helixtrans-73.3-34.2-176.8-560000113.2P250 Q254 M287 Y288 N289P250-S291 WeakPolarHBondContact CA-OG 3.46Å; P250-S291 WeakPolarHBondContact O-CB 3.43Å; Q254-S291 PolarHBondContact OE1-O 3.16Å; M287-S291 VanDerWaalsContact O-CB 3.27Å; M287-S291 WeakPolarHBondContact O-CB 3.49Å; M287-S291 PolarHBondContact O-N 3.38Å; M287-S291 PolarHBondContact O-OG 3.07Å; Y288-S291 PolarHBondContact O-N 2.92Å; Y288-S291 VanDerWaalsContact O-N 3.08Å; N289-S291 VanDerWaalsContact C-N 3.32Å; N289-S291 PolarHBondContact O-N 3.33Å
292I90.2Very high95.2Very high10 Ų108.7 Ų8.75%0.0515%0.047CC..Hα-helixtrans-84-41.8-176.7-58.6-37.5000111.7Q254 N257 Y288 N289 P381Q254-I292 HydrophobicContact CB-CD1 4.29Å; Q254-I292 HydrophobicContact CG-CD1 4.08Å; N257-I292 HydrophobicContact CB-CD1 3.55Å; N257-I292 WeakPolarHBondContact ND2-CD1 3.41Å; N257-I292 WeakPolarHBondContact ND2-CG1 3.4Å; Y288-I292 HydrophobicContact CD1-CG1 4.02Å; Y288-I292 HydrophobicContact CD2-CG1 4.26Å; Y288-I292 HydrophobicContact CE1-CB 4.44Å; Y288-I292 HydrophobicContact CE1-CG1 3.73Å; Y288-I292 HydrophobicContact CE2-CD1 4.43Å; Y288-I292 HydrophobicContact CE2-CG1 3.94Å; Y288-I292 HydrophobicContact CG-CG1 4.27Å; Y288-I292 VanDerWaalsContact O-CG1 3.29Å; Y288-I292 WeakPolarHBondContact O-CG1 3.24Å; Y288-I292 PolarHBondContact O-N 2.77Å; N289-I292 PolarHBondContact O-N 3.45Å; I292-P381 HydrophobicContact CG2-CB 4.05Å; I292-P381 HydrophobicContact CG2-CG 4.08Å
293N90.9Very high95.2Very high4 Ų48 Ų82%0.0214%0.042CC..Hα-helixtrans-154.372.9-174.4-172.7-7.1000110.4N289 M296 Y297 L380 P381 L383N289-N293 CarbonylContact O-C 3.51Å; N289-N293 PolarHBondContact O-N 3.01Å; N293-M296 HydrophobicContact CB-CB 4.1Å; N293-M296 WeakPolarHBondContact ND2-CB 3.46Å; N293-M296 PolarHBondContact O-N 3.24Å; N293-M296 VanDerWaalsContact O-N 3.14Å; N293-M296 VanDerWaalsContact OD1-CB 3.27Å; N293-M296 WeakPolarHBondContact OD1-CB 3.36Å; N293-M296 PolarHBondContact OD1-N 2.76Å; N293-Y297 PolarHBondContact O-N 2.9Å; N293-L380 WeakPolarHBondContact ND2-CB 3.47Å; N293-L380 VanDerWaalsContact OD1-CD1 3.24Å; N293-L380 WeakPolarHBondContact OD1-CD1 3.09Å; N293-P381 PolarHBondContact ND2-O 3.06Å; N293-L383 HydrophobicContact CB-CD2 3.9Å
294K94.4Very high95.2Very high16 Ų1610.3 Ų10.37%0.075%0.054CC..Hα-helixtrans-47-48.9178.9-169.7-166.8-46.6-179.70113.4L36 H37 Y290 M296 Y297 F298L36-K294 PolarHBondContact O-NZ 3.45Å; H37-K294 PolarHBondContact O-NZ 2.83Å; Y290-K294 HydrophobicContact CD2-CG 4.03Å; Y290-K294 HydrophobicContact CE1-CD 4.44Å; Y290-K294 HydrophobicContact CE1-CG 4.43Å; Y290-K294 HydrophobicContact CE2-CD 4.05Å; Y290-K294 HydrophobicContact CE2-CG 3.73Å; Y290-K294 WeakPolarHBondContact O-CA 3.24Å; Y290-K294 WeakPolarHBondContact O-CB 3.28Å; Y290-K294 PolarHBondContact O-N 2.78Å; K294-M296 PolarHBondContact O-N 2.95Å; K294-Y297 WeakPolarHBondContact O-CB 3.42Å; K294-Y297 PolarHBondContact O-N 3.25Å; K294-F298 HydrophobicContact CD-CE2 4.28Å; K294-F298 HydrophobicContact CG-CD2 3.97Å; K294-F298 HydrophobicContact CG-CE2 3.71Å; K294-F298 WeakPolarHBondContact O-CD2 3.28Å; K294-F298 PolarHBondContact O-N 3Å; K294-F298 VanDerWaalsContact O-N 3.11Å
295P94.1Very high95.1Very high3 Ų311.1 Ų11.12%0.0196%0.058CC..Hα-helixtrans-67.1-37.2-178.5-21.235000112.9H46 Y297 F298 A299 T330 I331 M334H46-P295 WeakPolarHBondContact CE1-CG 3.37Å; P295-Y297 VanDerWaalsContact C-N 3.33Å; P295-F298 PolarHBondContact O-N 2.99Å; P295-A299 WeakPolarHBondContact O-CB 3.45Å; P295-A299 PolarHBondContact O-N 3.12Å; P295-T330 HydrophobicContact CB-CG2 3.69Å; P295-T330 HydrophobicContact CG-CG2 3.64Å; P295-I331 HydrophobicContact CB-CG1 3.98Å; P295-M334 HydrophobicContact CB-CG 3.97Å
296M94.1Very high95.1Very high18 Ų1811.1 Ų11.19%0.0896%0.058CC..Hα-helixtrans-68.3-34.1174.6-170.966.679.800112.1N293 K294 A299 T300 M334 K338 L383N293-M296 HydrophobicContact CB-CB 4.1Å; N293-M296 WeakPolarHBondContact ND2-CB 3.46Å; N293-M296 PolarHBondContact O-N 3.24Å; N293-M296 VanDerWaalsContact O-N 3.14Å; N293-M296 VanDerWaalsContact OD1-CB 3.27Å; N293-M296 WeakPolarHBondContact OD1-CB 3.36Å; N293-M296 PolarHBondContact OD1-N 2.76Å; K294-M296 PolarHBondContact O-N 2.95Å; M296-A299 PolarHBondContact O-N 2.92Å; M296-T300 WeakPolarHBondContact O-CB 3.21Å; M296-T300 PolarHBondContact O-N 2.91Å; M296-T300 PolarHBondContact O-OG1 3.37Å; M296-M334 HydrophobicContact CB-CB 4.44Å; M296-M334 HydrophobicContact CE-CB 3.88Å; M296-M334 HydrophobicContact CE-CG 4.33Å; M296-M334 HydrophobicContact CE-SD 3.93Å; M296-M334 HydrophobicContact SD-CB 3.95Å; M296-K338 HydrophobicContact CE-CB 3.94Å; M296-K338 HydrophobicContact CG-CD 4.17Å; M296-K338 HydrophobicContact SD-CB 3.54Å; M296-K338 VanDerWaalsContact SD-CB 3.54Å; M296-K338 HydrophobicContact SD-CD 3.4Å; M296-K338 WeakPolarHBondContact SD-CD 3.37Å; M296-K338 HydrophobicContact SD-CG 4.04Å; M296-L383 HydrophobicContact CB-CD1 3.99Å; M296-L383 HydrophobicContact CB-CD2 4.4Å; M296-L383 HydrophobicContact CB-CG 4.19Å; M296-L383 HydrophobicContact CG-CD1 3.55Å; M296-L383 HydrophobicContact CG-CD2 4.39Å; M296-L383 HydrophobicContact CG-CG 3.68Å
297Y95.9Very high95Very high11 Ų1114.7 Ų14.74%0.0437%0.072CC..Hα-helixtrans-60-51.4175.5168.9-105.6000110.1S148 I151 A286 N289 Y290 N293 K294 P295 T300 L301S148-Y297 WeakPolarHBondContact CA-OH 3.47Å; S148-Y297 VanDerWaalsContact CB-OH 3.23Å; S148-Y297 WeakPolarHBondContact CB-OH 3.42Å; I151-Y297 HydrophobicContact CD1-CE1 4.14Å; A286-Y297 HydrophobicContact CB-CE2 4.13Å; N289-Y297 HydrophobicContact CB-CD2 3.75Å; N289-Y297 HydrophobicContact CB-CG 4.4Å; Y290-Y297 AromaticContact CD2-CD1 3.86Å; Y290-Y297 HydrophobicContact CD2-CD1 3.86Å; Y290-Y297 AromaticContact CD2-CE1 3.98Å; Y290-Y297 HydrophobicContact CD2-CE1 3.98Å; N293-Y297 PolarHBondContact O-N 2.9Å; K294-Y297 WeakPolarHBondContact O-CB 3.42Å; K294-Y297 PolarHBondContact O-N 3.25Å; P295-Y297 VanDerWaalsContact C-N 3.33Å; Y297-T300 WeakPolarHBondContact O-CB 3.23Å; Y297-T300 PolarHBondContact O-N 2.89Å; Y297-T300 VanDerWaalsContact O-N 3.15Å; Y297-L301 HydrophobicContact CD1-CD1 4.3Å; Y297-L301 HydrophobicContact CE1-CD1 3.66Å; Y297-L301 HydrophobicContact CE1-CG 4.31Å; Y297-L301 HydrophobicContact CE2-CD1 4.42Å; Y297-L301 HydrophobicContact CE2-CD2 4.16Å; Y297-L301 HydrophobicContact CE2-CG 4.34Å; Y297-L301 WeakPolarHBondContact O-CG 3.33Å; Y297-L301 PolarHBondContact O-N 3.48Å
298F96.9Very high94.9Very high4 Ų418.6 Ų18.62%0.0189%0.089CC..Hα-helixtrans-65.7-37.8175.7-73.8-67.5000113.2D152 Y290 K294 P295 T300 L301 I302 I331D152-F298 HydrophobicContact CB-CZ 4.15Å; Y290-F298 HydrophobicContact CD2-CE2 4.15Å; Y290-F298 HydrophobicContact CD2-CZ 4.32Å; Y290-F298 AromaticContact CE2-CE2 3.74Å; Y290-F298 HydrophobicContact CE2-CE2 3.74Å; Y290-F298 AromaticContact CE2-CZ 3.9Å; Y290-F298 HydrophobicContact CE2-CZ 3.9Å; K294-F298 HydrophobicContact CD-CE2 4.28Å; K294-F298 HydrophobicContact CG-CD2 3.97Å; K294-F298 HydrophobicContact CG-CE2 3.71Å; K294-F298 WeakPolarHBondContact O-CD2 3.28Å; K294-F298 PolarHBondContact O-N 3Å; K294-F298 VanDerWaalsContact O-N 3.11Å; P295-F298 PolarHBondContact O-N 2.99Å; F298-T300 PolarHBondContact O-N 2.97Å; F298-L301 HydrophobicContact CD1-CD1 3.93Å; F298-L301 HydrophobicContact CE1-CD1 4.21Å; F298-L301 PolarHBondContact O-N 3.49Å; F298-I302 VanDerWaalsContact O-CG1 3.3Å; F298-I302 WeakPolarHBondContact O-CG1 3.28Å; F298-I302 PolarHBondContact O-N 3.04Å; F298-I331 HydrophobicContact CB-CD1 3.59Å; F298-I331 HydrophobicContact CB-CG1 4.16Å; F298-I331 HydrophobicContact CD2-CD1 4.49Å; F298-I331 HydrophobicContact CG-CD1 4.28Å
299A96.3Very high94.7Very high0 Ų027.6 Ų27.60%013%0.132CC..Hα-helixtrans-57-38.2172.600000111.7P295 M296 H303 I331 M334 Y335P295-A299 WeakPolarHBondContact O-CB 3.45Å; P295-A299 PolarHBondContact O-N 3.12Å; M296-A299 PolarHBondContact O-N 2.92Å; A299-H303 VanDerWaalsContact O-CB 3.3Å; A299-H303 WeakPolarHBondContact O-CB 3.35Å; A299-H303 PolarHBondContact O-N 3.45Å; A299-I331 HydrophobicContact CB-CG2 4Å; A299-M334 HydrophobicContact CB-CB 4.37Å; A299-Y335 HydrophobicContact CB-CD2 4.06Å; A299-Y335 WeakPolarHBondContact O-CD2 3.49Å
300T96.3Very high94.5Very high19 Ų1934.3 Ų34.312%0.11717%0.167CC..Hα-helixtrans-70.2-42.6176.9-52.60000112.2M296 Y297 F298 I302 H303 D304 K338 Y339M296-T300 WeakPolarHBondContact O-CB 3.21Å; M296-T300 PolarHBondContact O-N 2.91Å; M296-T300 PolarHBondContact O-OG1 3.37Å; Y297-T300 WeakPolarHBondContact O-CB 3.23Å; Y297-T300 PolarHBondContact O-N 2.89Å; Y297-T300 VanDerWaalsContact O-N 3.15Å; F298-T300 PolarHBondContact O-N 2.97Å; T300-I302 VanDerWaalsContact C-N 3.33Å; T300-I302 PolarHBondContact O-N 3.33Å; T300-H303 PolarHBondContact O-N 2.85Å; T300-D304 WeakPolarHBondContact O-CB 3.33Å; T300-D304 PolarHBondContact O-N 3.18Å; T300-K338 PolarHBondContact OG1-NZ 3.5Å; T300-Y339 WeakPolarHBondContact CA-OH 3.43Å
301L96.4Very high94.4Very high9 Ų936.3 Ų36.35%0.04718%0.177CC..Hα-helixtrans-59.6-44.7174.6-63.5-175.4000111.9R144 Y297 F298 E305 F319R144-L301 HydrophobicContact CG-CD2 4.14Å; Y297-L301 HydrophobicContact CD1-CD1 4.3Å; Y297-L301 HydrophobicContact CE1-CD1 3.66Å; Y297-L301 HydrophobicContact CE1-CG 4.31Å; Y297-L301 HydrophobicContact CE2-CD1 4.42Å; Y297-L301 HydrophobicContact CE2-CD2 4.16Å; Y297-L301 HydrophobicContact CE2-CG 4.34Å; Y297-L301 WeakPolarHBondContact O-CG 3.33Å; Y297-L301 PolarHBondContact O-N 3.48Å; F298-L301 HydrophobicContact CD1-CD1 3.93Å; F298-L301 HydrophobicContact CE1-CD1 4.21Å; F298-L301 PolarHBondContact O-N 3.49Å; L301-E305 PolarHBondContact O-N 3.29Å; L301-F319 HydrophobicContact CB-CE2 4.02Å; L301-F319 HydrophobicContact CB-CZ 4.24Å; L301-F319 HydrophobicContact CD1-CE1 4.46Å; L301-F319 HydrophobicContact CD1-CZ 3.9Å
302I96.6Very high94.2Very high0 Ų038.1 Ų38.10%019%0.186CC..Hα-helixtrans-66.8-45.3-179.8-66.6164.1000110.7F298 T300 E305 L306 F319 L320 I331 Y335 L343F298-I302 VanDerWaalsContact O-CG1 3.3Å; F298-I302 WeakPolarHBondContact O-CG1 3.28Å; F298-I302 PolarHBondContact O-N 3.04Å; T300-I302 VanDerWaalsContact C-N 3.33Å; T300-I302 PolarHBondContact O-N 3.33Å; I302-E305 PolarHBondContact O-N 3.33Å; I302-L306 HydrophobicContact CG2-CD1 3.69Å; I302-L306 HydrophobicContact CG2-CG 4.41Å; I302-L306 WeakPolarHBondContact O-CB 3.31Å; I302-L306 WeakPolarHBondContact O-CG 3.48Å; I302-L306 PolarHBondContact O-N 3.04Å; I302-F319 HydrophobicContact CG1-CB 4.22Å; I302-F319 HydrophobicContact CG1-CD2 4.18Å; I302-F319 HydrophobicContact CG1-CG 4.47Å; I302-L320 HydrophobicContact CD1-CD2 4.41Å; I302-I331 HydrophobicContact CD1-CG2 3.98Å; I302-Y335 HydrophobicContact CG2-CE2 4.25Å; I302-L343 HydrophobicContact CG2-CD1 3.52Å
303H96.4Very high94.3Very high34 Ų3439.7 Ų39.716%0.15720%0.196CC..Hα-helixtrans-58.6-50.8178.9173.7-83.9000111.3A299 T300 E305 L306 H307 Y335 Y339A299-H303 VanDerWaalsContact O-CB 3.3Å; A299-H303 WeakPolarHBondContact O-CB 3.35Å; A299-H303 PolarHBondContact O-N 3.45Å; T300-H303 PolarHBondContact O-N 2.85Å; H303-E305 VanDerWaalsContact C-N 3.27Å; H303-E305 PolarHBondContact O-N 2.96Å; H303-L306 PolarHBondContact O-N 3.09Å; H303-H307 AromaticContact CD2-CE1 3.46Å; H303-H307 PolarHBondContact CD2-CE1 3.03Å; H303-H307 VanDerWaalsContact CD2-CE1 3.46Å; H303-H307 AromaticContact CD2-ND1 3.6Å; H303-H307 AromaticContact CE1-CE1 3.92Å; H303-H307 AromaticContact CE1-CG 3.96Å; H303-H307 AromaticContact CE1-ND1 3.62Å; H303-H307 AromaticContact CG-ND1 3.87Å; H303-H307 AromaticContact ND1-ND1 3.9Å; H303-H307 AromaticContact NE2-CE1 3.3Å; H303-H307 PolarHBondContact NE2-CE1 3.34Å; H303-H307 VanDerWaalsContact NE2-CE1 3.3Å; H303-H307 AromaticContact NE2-ND1 3.46Å; H303-H307 PolarHBondContact NE2-ND1 2.95Å; H303-H307 AromaticContact NE2-NE2 3.87Å; H303-H307 PolarHBondContact O-N 3.36Å; H303-H307 PolarHBondContact O-ND1 3.43Å; H303-Y335 WeakPolarHBondContact CA-OH 3.25Å; H303-Y335 HydrophobicContact CB-CD2 4.44Å; H303-Y335 HydrophobicContact CB-CE2 3.53Å; H303-Y335 AromaticContact CD2-CZ 3.86Å; H303-Y335 PolarHBondContact CD2-OH 3.34Å; H303-Y339 HydrophobicContact CB-CD2 4.04Å; H303-Y339 HydrophobicContact CB-CE1 4.15Å; H303-Y339 HydrophobicContact CB-CE2 3.42Å; H303-Y339 VanDerWaalsContact CB-CE2 3.42Å; H303-Y339 VanDerWaalsContact CB-CZ 3.47Å; H303-Y339 AromaticContact CD2-CD1 3.36Å; H303-Y339 WeakPolarHBondContact CD2-CD1 3.49Å; H303-Y339 AromaticContact CD2-CD2 3.65Å; H303-Y339 AromaticContact CD2-CE1 3.49Å; H303-Y339 VanDerWaalsContact CD2-CE1 3.49Å; H303-Y339 WeakPolarHBondContact CD2-CE1 3.32Å; H303-Y339 AromaticContact CD2-CE2 3.8Å; H303-Y339 AromaticContact CD2-CG 3.43Å; H303-Y339 VanDerWaalsContact CD2-CG 3.43Å; H303-Y339 AromaticContact CD2-CZ 3.7Å; H303-Y339 AromaticContact CE1-CD1 3.86Å; H303-Y339 AromaticContact CE1-CE1 3.59Å; H303-Y339 AromaticContact CG-CD1 3.84Å; H303-Y339 AromaticContact CG-CD2 3.95Å; H303-Y339 AromaticContact CG-CE1 3.44Å; H303-Y339 VanDerWaalsContact CG-CE1 3.44Å; H303-Y339 AromaticContact CG-CE2 3.59Å; H303-Y339 AromaticContact CG-CZ 3.3Å; H303-Y339 AromaticContact ND1-CE1 3.49Å; H303-Y339 WeakPolarHBondContact ND1-CE1 3.4Å; H303-Y339 AromaticContact ND1-CZ 3.65Å; H303-Y339 AromaticContact NE2-CD1 3.36Å; H303-Y339 WeakPolarHBondContact NE2-CD1 3.49Å; H303-Y339 AromaticContact NE2-CE1 3.57Å; H303-Y339 AromaticContact NE2-CG 3.86Å
304D95.2Very high94.3Very high48 Ų4841.1 Ų41.126%0.25720%0.204SC..Hα-helixtrans-63.5-38.2-175.8-65-0.9000110.5R144 T300 H307 K308R144-D304 IonicContact CZ-OD2 3.69Å; R144-D304 IonicContact NH1-OD2 2.75Å; R144-D304 PolarHBondContact NH1-OD2 3.47Å; R144-D304 IonicContact NH2-OD2 3.69Å; R144-D304 PolarHBondContact NH2-OD2 2.93Å; T300-D304 WeakPolarHBondContact O-CB 3.33Å; T300-D304 PolarHBondContact O-N 3.18Å; D304-H307 PolarHBondContact O-N 2.81Å; D304-K308 WeakPolarHBondContact O-CG 3.33Å; D304-K308 PolarHBondContact O-N 3.26Å; D304-K308 VanDerWaalsContact O-N 3.13Å
305E95Very high94.3Very high16 Ų1640.3 Ų40.38%0.07520%0.2CC..Hα-helixtrans-64.5-43.8175-164.760.7-134.800112.7L301 I302 H303 H307 K308 D312 V316L301-E305 PolarHBondContact O-N 3.29Å; I302-E305 PolarHBondContact O-N 3.33Å; H303-E305 VanDerWaalsContact C-N 3.27Å; H303-E305 PolarHBondContact O-N 2.96Å; E305-H307 PolarHBondContact O-N 3.2Å; E305-K308 PolarHBondContact O-N 2.97Å; E305-K308 IonicContact OE1-NZ 2.74Å; E305-K308 WeakPolarHBondContact OE2-CE 3.1Å; E305-K308 IonicContact OE2-NZ 3.73Å; E305-K308 PolarHBondContact OE2-NZ 3.19Å; E305-D312 VanDerWaalsContact OE1-CB 3.28Å; E305-D312 WeakPolarHBondContact OE1-CB 3.39Å; E305-D312 PolarHBondContact OE1-N 3.28Å; E305-V316 HydrophobicContact CB-CG2 3.73Å; E305-V316 HydrophobicContact CG-CG2 3.24Å
306L95.7Very high94.3Very high1 Ų140.2 Ų40.21%0.00520%0.199CC..Hα-helixtrans-68.3-9.8178.2-73.4169.7000114.3I302 H303 V316 L343 D346 V347 R349 I350 Y351I302-L306 HydrophobicContact CG2-CD1 3.69Å; I302-L306 HydrophobicContact CG2-CG 4.41Å; I302-L306 WeakPolarHBondContact O-CB 3.31Å; I302-L306 WeakPolarHBondContact O-CG 3.48Å; I302-L306 PolarHBondContact O-N 3.04Å; H303-L306 PolarHBondContact O-N 3.09Å; L306-V316 HydrophobicContact CD2-CG1 3.94Å; L306-V316 HydrophobicContact CD2-CG2 4.33Å; L306-V316 HydrophobicContact CG-CG1 4.25Å; L306-V316 HydrophobicContact CG-CG2 4.4Å; L306-L343 HydrophobicContact CD1-CD1 3.78Å; L306-D346 HydrophobicContact CD1-CB 3.94Å; L306-V347 HydrophobicContact CD1-CG2 4.39Å; L306-R349 PolarHBondContact O-NH2 3.48Å; L306-I350 HydrophobicContact CD2-CB 4.18Å; L306-I350 HydrophobicContact CD2-CG1 3.77Å; L306-I350 HydrophobicContact CD2-CG2 4.44Å; L306-Y351 HydrophobicContact CD2-CE2 4.04Å
307H94.8Very high94.3Very high85 Ų8539.3 Ų39.339%0.39420%0.195SC..THydrogen-bonded Turntrans-1193.7-179-69.184.2000113.7H303 D304 E305 D346 R349H303-H307 AromaticContact CD2-CE1 3.46Å; H303-H307 PolarHBondContact CD2-CE1 3.03Å; H303-H307 VanDerWaalsContact CD2-CE1 3.46Å; H303-H307 AromaticContact CD2-ND1 3.6Å; H303-H307 AromaticContact CE1-CE1 3.92Å; H303-H307 AromaticContact CE1-CG 3.96Å; H303-H307 AromaticContact CE1-ND1 3.62Å; H303-H307 AromaticContact CG-ND1 3.87Å; H303-H307 AromaticContact ND1-ND1 3.9Å; H303-H307 AromaticContact NE2-CE1 3.3Å; H303-H307 PolarHBondContact NE2-CE1 3.34Å; H303-H307 VanDerWaalsContact NE2-CE1 3.3Å; H303-H307 AromaticContact NE2-ND1 3.46Å; H303-H307 PolarHBondContact NE2-ND1 2.95Å; H303-H307 AromaticContact NE2-NE2 3.87Å; H303-H307 PolarHBondContact O-N 3.36Å; H303-H307 PolarHBondContact O-ND1 3.43Å; D304-H307 PolarHBondContact O-N 2.81Å; E305-H307 PolarHBondContact O-N 3.2Å; H307-D346 IonicContact CE1-OD1 3.76Å; H307-D346 IonicContact CE1-OD2 3.8Å; H307-D346 PolarHBondContact CE1-OD2 2.91Å; H307-D346 IonicContact NE2-OD1 3.65Å; H307-R349 PolarHBondContact CD2-NH2 2.88Å; H307-R349 VanDerWaalsContact CD2-NH2 3.29Å; H307-R349 PolarHBondContact CE1-NH2 3.31Å; H307-R349 VanDerWaalsContact CE1-NH2 3.27Å; H307-R349 PolarHBondContact NE2-NH1 2.94Å; H307-R349 PolarHBondContact NE2-NH2 3.37Å
308K93.1Very high94.3Very high86 Ų8639 Ų3937%0.37419%0.194SC..SBendtrans-65.7153.5168.5-80.4171.6-176.8179.10110.8D304 E305 L310 I311D304-K308 WeakPolarHBondContact O-CG 3.33Å; D304-K308 PolarHBondContact O-N 3.26Å; D304-K308 VanDerWaalsContact O-N 3.13Å; E305-K308 PolarHBondContact O-N 2.97Å; E305-K308 IonicContact OE1-NZ 2.74Å; E305-K308 WeakPolarHBondContact OE2-CE 3.1Å; E305-K308 IonicContact OE2-NZ 3.73Å; E305-K308 PolarHBondContact OE2-NZ 3.19Å; K308-L310 VanDerWaalsContact C-N 3.33Å; K308-I311 VanDerWaalsContact O-CG1 3.27Å; K308-I311 WeakPolarHBondContact O-CG1 3.2Å
309E91.3Very high94.3Very high196 Ų19639.3 Ų39.392%0.91620%0.195SC*.SBendtrans-61.6-43.3171.4-175.9178.9-172.800111.4
310L91.8Very high94.3Very high151 Ų15139.3 Ų39.379%0.79120%0.195SC*.SBendtrans-110.3100.4172.9-62.2178.6000109K308K308-L310 VanDerWaalsContact C-N 3.33Å
311I92.5Very high94.4Very high45 Ų4538.8 Ų38.823%0.23119%0.191CC..  trans-81.9127.5-176.9-57.5174.2000109.9K308 V313 I350K308-I311 VanDerWaalsContact O-CG1 3.27Å; K308-I311 WeakPolarHBondContact O-CG1 3.2Å; I311-V313 VanDerWaalsContact C-N 3.3Å; I311-V313 HydrophobicContact CG2-CG2 4.39Å; I311-V313 PolarHBondContact O-N 3.17Å; I311-I350 HydrophobicContact CD1-CD1 3.32Å; I311-I350 HydrophobicContact CD1-CG1 3.8Å; I311-I350 HydrophobicContact CD1-CG2 3.91Å; I311-I350 HydrophobicContact CG2-CG2 4.19Å
312D91.4Very high94.4Very high45 Ų4539 Ų3924%0.24119%0.192CC..  trans-76.783.1166.3-1723.7000110.5R136 E305 L314 G315 V316R136-D312 IonicContact CZ-OD1 2.65Å; R136-D312 IonicContact CZ-OD2 2.77Å; R136-D312 IonicContact NH1-OD1 2.91Å; R136-D312 IonicContact NH1-OD2 2.58Å; R136-D312 PolarHBondContact NH1-OD2 3.32Å; R136-D312 IonicContact NH2-OD1 3.18Å; R136-D312 PolarHBondContact NH2-OD1 3.03Å; R136-D312 VanDerWaalsContact NH2-OD1 3.12Å; R136-D312 IonicContact NH2-OD2 2.59Å; R136-D312 PolarHBondContact NH2-OD2 2.84Å; E305-D312 VanDerWaalsContact OE1-CB 3.28Å; E305-D312 WeakPolarHBondContact OE1-CB 3.39Å; E305-D312 PolarHBondContact OE1-N 3.28Å; D312-L314 PolarHBondContact O-N 2.72Å; D312-L314 PolarHBondContact OD1-N 3.37Å; D312-G315 VanDerWaalsContact CG-N 3.3Å; D312-G315 PolarHBondContact O-N 3.46Å; D312-G315 VanDerWaalsContact O-N 3.09Å; D312-G315 PolarHBondContact OD1-N 3.19Å; D312-G315 PolarHBondContact OD2-N 3.18Å; D312-V316 PolarHBondContact O-N 2.82Å
313V91.6Very high94.4Very high42 Ų4239.1 Ų39.126%0.25519%0.192SC..Hα-helixtrans-51.9-38.3179.5176.70000111.9L114 I311 Q317 Y351 Y355L114-V313 HydrophobicContact CD2-CG1 4.07Å; I311-V313 VanDerWaalsContact C-N 3.3Å; I311-V313 HydrophobicContact CG2-CG2 4.39Å; I311-V313 PolarHBondContact O-N 3.17Å; V313-Q317 PolarHBondContact O-N 3.25Å; V313-Y351 HydrophobicContact CB-CE1 4.39Å; V313-Y351 HydrophobicContact CG1-CD1 4.12Å; V313-Y351 HydrophobicContact CG1-CE1 3.38Å; V313-Y351 PolarHBondContact O-OH 3.38Å; V313-Y355 HydrophobicContact CG1-CE1 4.02Å
314L91.5Very high94.4Very high34 Ų3437.5 Ų37.518%0.17819%0.185CC..Hα-helixtrans-76.5-42.3178.1-63.1-173.9000111.7L114 Q117 D312 V316 Q317 R318L114-L314 HydrophobicContact CD2-CD2 4.4Å; Q117-L314 HydrophobicContact CB-CD2 4.09Å; Q117-L314 HydrophobicContact CG-CD1 4.18Å; Q117-L314 HydrophobicContact CG-CD2 3.5Å; Q117-L314 VanDerWaalsContact CG-CD2 3.5Å; Q117-L314 HydrophobicContact CG-CG 4.46Å; D312-L314 PolarHBondContact O-N 2.72Å; D312-L314 PolarHBondContact OD1-N 3.37Å; L314-V316 VanDerWaalsContact C-N 3.27Å; L314-V316 PolarHBondContact O-N 2.89Å; L314-Q317 WeakPolarHBondContact O-CB 3.4Å; L314-Q317 PolarHBondContact O-N 3.13Å; L314-R318 WeakPolarHBondContact O-CG 3.36Å; L314-R318 PolarHBondContact O-N 3.42Å
315G92.7Very high94.3Very high0 Ų037.1 Ų37.10%018%0.182CC..Hα-helixtrans-59.5-36.5177.100000113R145 D312 F319R145-G315 PolarHBondContact NH1-O 3.46Å; R145-G315 VanDerWaalsContact NH1-O 3.15Å; R145-G315 PolarHBondContact NH2-O 2.77Å; D312-G315 VanDerWaalsContact CG-N 3.3Å; D312-G315 PolarHBondContact O-N 3.46Å; D312-G315 VanDerWaalsContact O-N 3.09Å; D312-G315 PolarHBondContact OD1-N 3.19Å; D312-G315 PolarHBondContact OD2-N 3.18Å; G315-F319 PolarHBondContact O-N 3.22Å; G315-F319 VanDerWaalsContact O-N 3.1Å
316V94.5Very high94.3Very high0 Ų036.4 Ų36.40%018%0.178CC..Hα-helixtrans-71-46.8174.6173.60000111.7E305 L306 D312 L314 R318 F319 L320 Y351E305-V316 HydrophobicContact CB-CG2 3.73Å; E305-V316 HydrophobicContact CG-CG2 3.24Å; L306-V316 HydrophobicContact CD2-CG1 3.94Å; L306-V316 HydrophobicContact CD2-CG2 4.33Å; L306-V316 HydrophobicContact CG-CG1 4.25Å; L306-V316 HydrophobicContact CG-CG2 4.4Å; D312-V316 PolarHBondContact O-N 2.82Å; L314-V316 VanDerWaalsContact C-N 3.27Å; L314-V316 PolarHBondContact O-N 2.89Å; V316-R318 PolarHBondContact O-N 2.96Å; V316-F319 WeakPolarHBondContact O-CB 3.22Å; V316-F319 PolarHBondContact O-N 3.21Å; V316-F319 VanDerWaalsContact O-N 3.15Å; V316-L320 WeakPolarHBondContact O-CG 3.4Å; V316-L320 PolarHBondContact O-N 3.5Å; V316-Y351 VanDerWaalsContact CB-OH 3.25Å; V316-Y351 WeakPolarHBondContact CB-OH 3.35Å; V316-Y351 HydrophobicContact CG1-CE2 4.37Å; V316-Y351 WeakPolarHBondContact CG1-OH 3.39Å
317Q95.4Very high94.2Very high0 Ų036.3 Ų36.30%018%0.178CC..Hα-helixtrans-49.6-50.4173.4165.6-178.3-74.800110.8L118 D121 V313 L314 F319 L320 L321 Y355 L359L118-Q317 VanDerWaalsContact CB-OE1 3.3Å; L118-Q317 HydrophobicContact CD1-CG 3.96Å; D121-Q317 PolarHBondContact OD2-NE2 3.33Å; V313-Q317 PolarHBondContact O-N 3.25Å; L314-Q317 WeakPolarHBondContact O-CB 3.4Å; L314-Q317 PolarHBondContact O-N 3.13Å; Q317-F319 PolarHBondContact O-N 3.23Å; Q317-L320 WeakPolarHBondContact O-CB 3.46Å; Q317-L320 PolarHBondContact O-N 3.2Å; Q317-L320 VanDerWaalsContact O-N 3.1Å; Q317-L321 HydrophobicContact CG-CD1 4.19Å; Q317-L321 PolarHBondContact O-N 2.97Å; Q317-Y355 WeakPolarHBondContact CB-OH 3.49Å; Q317-Y355 PolarHBondContact OE1-OH 3.34Å; Q317-L359 HydrophobicContact CB-CD2 4.42Å; Q317-L359 HydrophobicContact CG-CD2 4.2Å
318R96Very high94.3Very high5 Ų532.3 Ų32.32%0.01916%0.159CC..Hα-helixtrans-64.3-38.7-178.2-73.1174176.5-171.9-8.3112.7D121 D132 E133 L314 V316 L320 L321 F322D121-R318 IonicContact OD1-CZ 2.92Å; D121-R318 IonicContact OD1-NE 3.33Å; D121-R318 IonicContact OD1-NH2 3.9Å; D121-R318 PolarHBondContact OD1-NH2 3.36Å; D121-R318 WeakPolarHBondContact OD2-CG 3.41Å; D121-R318 IonicContact OD2-CZ 2.97Å; D121-R318 IonicContact OD2-NE 3.12Å; D121-R318 PolarHBondContact OD2-NE 3.47Å; D121-R318 IonicContact OD2-NH2 3.99Å; D132-R318 VanDerWaalsContact CG-NH1 3.32Å; D132-R318 IonicContact OD1-NH1 2.99Å; D132-R318 IonicContact OD2-CZ 3.9Å; D132-R318 IonicContact OD2-NH1 3.64Å; D132-R318 PolarHBondContact OD2-NH1 3.21Å; D132-R318 IonicContact OD2-NH2 3.25Å; D132-R318 PolarHBondContact OD2-NH2 2.78Å; E133-R318 WeakPolarHBondContact OE2-CD 3.34Å; E133-R318 IonicContact OE2-CZ 3.72Å; E133-R318 IonicContact OE2-NH1 2.99Å; E133-R318 PolarHBondContact OE2-NH1 2.97Å; L314-R318 WeakPolarHBondContact O-CG 3.36Å; L314-R318 PolarHBondContact O-N 3.42Å; V316-R318 PolarHBondContact O-N 2.96Å; R318-L320 VanDerWaalsContact C-N 3.3Å; R318-L320 PolarHBondContact O-N 3.33Å; R318-L321 PolarHBondContact O-N 3.3Å; R318-F322 HydrophobicContact CB-CD2 4.39Å; R318-F322 HydrophobicContact CB-CE2 3.79Å; R318-F322 HydrophobicContact CB-CZ 3.88Å; R318-F322 HydrophobicContact CG-CZ 4.42Å; R318-F322 WeakPolarHBondContact O-CB 3.48Å; R318-F322 WeakPolarHBondContact O-CD2 3.28Å; R318-F322 WeakPolarHBondContact O-CG 3.47Å; R318-F322 PolarHBondContact O-N 2.89Å
319F96.2Very high94.3Very high10 Ų1028.9 Ų28.94%0.04415%0.145CC..Hα-helixtrans-58.1-44.2171.5-88.8-34.1000111.9R145 L301 I302 G315 V316 Q317 L321 F322 R323R145-F319 VanDerWaalsContact CZ-CE2 3.45Å; L301-F319 HydrophobicContact CB-CE2 4.02Å; L301-F319 HydrophobicContact CB-CZ 4.24Å; L301-F319 HydrophobicContact CD1-CE1 4.46Å; L301-F319 HydrophobicContact CD1-CZ 3.9Å; I302-F319 HydrophobicContact CG1-CB 4.22Å; I302-F319 HydrophobicContact CG1-CD2 4.18Å; I302-F319 HydrophobicContact CG1-CG 4.47Å; G315-F319 PolarHBondContact O-N 3.22Å; G315-F319 VanDerWaalsContact O-N 3.1Å; V316-F319 WeakPolarHBondContact O-CB 3.22Å; V316-F319 PolarHBondContact O-N 3.21Å; V316-F319 VanDerWaalsContact O-N 3.15Å; Q317-F319 PolarHBondContact O-N 3.23Å; F319-L321 VanDerWaalsContact C-N 3.34Å; F319-L321 PolarHBondContact O-N 3.15Å; F319-F322 PolarHBondContact O-N 3.47Å; F319-R323 VanDerWaalsContact O-CG 3.3Å; F319-R323 WeakPolarHBondContact O-CG 3.31Å; F319-R323 PolarHBondContact O-N 2.9Å; F319-R323 VanDerWaalsContact O-N 3.14Å
320L96.7Very high94.3Very high0 Ų019.7 Ų19.70%010%0.102CC..Hα-helixtrans-61-45.4177.2-59.7-179.8000110.8I302 V316 Q317 R318 R323 S324 L328 L343 V347 L359 L362 L363I302-L320 HydrophobicContact CD1-CD2 4.41Å; V316-L320 WeakPolarHBondContact O-CG 3.4Å; V316-L320 PolarHBondContact O-N 3.5Å; Q317-L320 WeakPolarHBondContact O-CB 3.46Å; Q317-L320 PolarHBondContact O-N 3.2Å; Q317-L320 VanDerWaalsContact O-N 3.1Å; R318-L320 VanDerWaalsContact C-N 3.3Å; R318-L320 PolarHBondContact O-N 3.33Å; L320-R323 PolarHBondContact O-N 3.36Å; L320-S324 VanDerWaalsContact O-CB 3.27Å; L320-S324 WeakPolarHBondContact O-CB 3.39Å; L320-S324 PolarHBondContact O-N 3.39Å; L320-L328 HydrophobicContact CB-CD2 4.49Å; L320-L328 HydrophobicContact CD2-CD1 3.9Å; L320-L343 HydrophobicContact CD2-CD2 4.07Å; L320-V347 HydrophobicContact CD1-CG2 4.4Å; L320-L359 HydrophobicContact CD1-CD2 4.4Å; L320-L362 HydrophobicContact CB-CD2 3.71Å; L320-L363 HydrophobicContact CD2-CD2 4.16Å
321L96.8Very high94.5Very high7 Ų712.5 Ų12.54%0.0376%0.064CC..Hα-helixtrans-61.1-51.2176.5-65.2178.1000112.4L118 D121 L122 Q317 R318 F319 R323 S324 L362L118-L321 HydrophobicContact CD1-CD1 4.35Å; D121-L321 HydrophobicContact CB-CD1 3.9Å; L122-L321 HydrophobicContact CD2-CD2 3.68Å; L122-L321 HydrophobicContact CG-CD2 4.49Å; Q317-L321 HydrophobicContact CG-CD1 4.19Å; Q317-L321 PolarHBondContact O-N 2.97Å; R318-L321 PolarHBondContact O-N 3.3Å; F319-L321 VanDerWaalsContact C-N 3.34Å; F319-L321 PolarHBondContact O-N 3.15Å; L321-R323 PolarHBondContact O-N 2.92Å; L321-S324 WeakPolarHBondContact O-CB 3.39Å; L321-S324 PolarHBondContact O-N 3.07Å; L321-S324 PolarHBondContact O-OG 2.98Å; L321-L362 HydrophobicContact CD2-CD2 3.92Å
322F97.2Very high94.5Very high14 Ų1411.4 Ų11.46%0.0616%0.059CC..Hα-helixtrans-59.2-30.6-178.9-60.8-28000113.8T126 L129 L130 E133 R318 F319 I326T126-F322 HydrophobicContact CG2-CD1 4.01Å; T126-F322 HydrophobicContact CG2-CE1 4.29Å; L129-F322 HydrophobicContact CB-CE1 3.62Å; L129-F322 HydrophobicContact CB-CZ 3.87Å; L129-F322 HydrophobicContact CD1-CE1 4.15Å; L130-F322 HydrophobicContact CD2-CD1 4.32Å; L130-F322 HydrophobicContact CD2-CD2 3.96Å; L130-F322 HydrophobicContact CD2-CE1 4.17Å; L130-F322 HydrophobicContact CD2-CE2 3.8Å; L130-F322 HydrophobicContact CD2-CG 4.22Å; L130-F322 HydrophobicContact CD2-CZ 3.91Å; L130-F322 HydrophobicContact CG-CD1 4.38Å; L130-F322 HydrophobicContact CG-CE1 4.02Å; L130-F322 HydrophobicContact CG-CE2 4.45Å; L130-F322 HydrophobicContact CG-CZ 4.06Å; E133-F322 HydrophobicContact CB-CE2 4.47Å; E133-F322 HydrophobicContact CG-CE2 4.45Å; R318-F322 HydrophobicContact CB-CD2 4.39Å; R318-F322 HydrophobicContact CB-CE2 3.79Å; R318-F322 HydrophobicContact CB-CZ 3.88Å; R318-F322 HydrophobicContact CG-CZ 4.42Å; R318-F322 WeakPolarHBondContact O-CB 3.48Å; R318-F322 WeakPolarHBondContact O-CD2 3.28Å; R318-F322 WeakPolarHBondContact O-CG 3.47Å; R318-F322 PolarHBondContact O-N 2.89Å; F319-F322 PolarHBondContact O-N 3.47Å; F322-I326 WeakPolarHBondContact O-CD1 3.31Å
323R96.8Very high94.5Very high2 Ų212.7 Ų12.71%0.0086%0.062CC..Hα-helixtrans-96.7-16.4-179-55.8-47.3-64.1-177.9-4.6113.6D152 F319 L320 L321 E325 I326 D327 L328 I331D152-R323 VanDerWaalsContact CG-NH1 3.27Å; D152-R323 IonicContact OD1-NH1 2.97Å; D152-R323 PolarHBondContact OD1-NH1 3.37Å; D152-R323 IonicContact OD2-NH1 2.7Å; D152-R323 PolarHBondContact OD2-NH1 3.42Å; F319-R323 VanDerWaalsContact O-CG 3.3Å; F319-R323 WeakPolarHBondContact O-CG 3.31Å; F319-R323 PolarHBondContact O-N 2.9Å; F319-R323 VanDerWaalsContact O-N 3.14Å; L320-R323 PolarHBondContact O-N 3.36Å; L321-R323 PolarHBondContact O-N 2.92Å; R323-E325 PolarHBondContact O-N 3.48Å; R323-I326 PolarHBondContact O-N 3.01Å; R323-D327 IonicContact CZ-OD1 2.76Å; R323-D327 VanDerWaalsContact CZ-OD1 3.24Å; R323-D327 IonicContact CZ-OD2 3.17Å; R323-D327 IonicContact NE-OD1 3.66Å; R323-D327 PolarHBondContact NE-OD1 3.49Å; R323-D327 IonicContact NE-OD2 3.9Å; R323-D327 IonicContact NH2-OD1 2.83Å; R323-D327 PolarHBondContact NH2-OD1 3.25Å; R323-D327 IonicContact NH2-OD2 3.95Å; R323-D327 PolarHBondContact NH2-OD2 2.93Å; R323-D327 PolarHBondContact O-N 3.47Å; R323-L328 HydrophobicContact CB-CB 4.2Å; R323-L328 HydrophobicContact CB-CD1 4.45Å; R323-L328 WeakPolarHBondContact O-CB 3.41Å; R323-L328 PolarHBondContact O-N 3.19Å; R323-I331 HydrophobicContact CB-CD1 3.78Å; R323-I331 HydrophobicContact CG-CD1 3.73Å
324S95.8Very high94.5Very high0 Ų010.9 Ų10.90%05%0.051CC..Hα-helixtrans-54.8-36.3-174.363.70000113.5P48 K49 I50 L320 L321P48-S324 WeakPolarHBondContact CB-O 3.38Å; K49-S324 PolarHBondContact N-O 3.22Å; I50-S324 PolarHBondContact N-O 3.24Å; L320-S324 VanDerWaalsContact O-CB 3.27Å; L320-S324 WeakPolarHBondContact O-CB 3.39Å; L320-S324 PolarHBondContact O-N 3.39Å; L321-S324 WeakPolarHBondContact O-CB 3.39Å; L321-S324 PolarHBondContact O-N 3.07Å; L321-S324 PolarHBondContact O-OG 2.98Å
325E94Very high94.6Very high40 Ų409.2 Ų9.219%0.1874%0.043CC..THydrogen-bonded Turntrans-91.8-2.8-178.3-62.8171-14100112.6H38 I50 T84 N85 R88 R323H38-E325 PolarHBondContact CE1-O 2.98Å; I50-E325 HydrophobicContact CB-CG 4Å; I50-E325 HydrophobicContact CG2-CG 4.11Å; T84-E325 WeakPolarHBondContact CA-OE1 3.49Å; T84-E325 VanDerWaalsContact CA-OE2 3.32Å; T84-E325 WeakPolarHBondContact CA-OE2 3.38Å; T84-E325 WeakPolarHBondContact CB-OE2 3.48Å; T84-E325 HydrophobicContact CG2-CG 4.23Å; N85-E325 PolarHBondContact N-OE1 3.01Å; N85-E325 PolarHBondContact N-OE2 3.34Å; R88-E325 IonicContact CZ-OE1 2.72Å; R88-E325 IonicContact NH1-OE1 3.01Å; R88-E325 PolarHBondContact NH1-OE1 3.34Å; R88-E325 IonicContact NH2-OE1 2.7Å; R323-E325 PolarHBondContact O-N 3.48Å
326I94.5Very high94.7Very high1 Ų112.4 Ų12.41%0.0056%0.056CC..THydrogen-bonded Turntrans-114.8-68.7-171.1-55.8175.4000111.5R33 H37 F322 R323R33-I326 HydrophobicContact CG-CD1 4.1Å; R33-I326 VanDerWaalsContact CZ-CD1 3.48Å; H37-I326 HydrophobicContact CB-CD1 4.22Å; H37-I326 HydrophobicContact CB-CG2 3.74Å; F322-I326 WeakPolarHBondContact O-CD1 3.31Å; R323-I326 PolarHBondContact O-N 3.01Å
327D94.3Very high94.5Very high0 Ų015.6 Ų15.60%08%0.082CC..THydrogen-bonded Turntrans-150.711.9-166.167.2-14.1000114H46 E47 R323 H329 T330 I331H46-D327 HydrophobicContact CB-CB 3.4Å; E47-D327 CarbonylContact O-C 3.58Å; E47-D327 VanDerWaalsContact O-CA 3.25Å; E47-D327 WeakPolarHBondContact O-CA 3.33Å; R323-D327 IonicContact CZ-OD1 2.76Å; R323-D327 VanDerWaalsContact CZ-OD1 3.24Å; R323-D327 IonicContact CZ-OD2 3.17Å; R323-D327 IonicContact NE-OD1 3.66Å; R323-D327 PolarHBondContact NE-OD1 3.49Å; R323-D327 IonicContact NE-OD2 3.9Å; R323-D327 IonicContact NH2-OD1 2.83Å; R323-D327 PolarHBondContact NH2-OD1 3.25Å; R323-D327 IonicContact NH2-OD2 3.95Å; R323-D327 PolarHBondContact NH2-OD2 2.93Å; R323-D327 PolarHBondContact O-N 3.47Å; D327-H329 PolarHBondContact O-N 3.37Å; D327-H329 VanDerWaalsContact O-N 3.09Å; D327-T330 CarbonylContact O-C 3.58Å; D327-T330 WeakPolarHBondContact O-CA 3.42Å; D327-T330 WeakPolarHBondContact O-CB 3.47Å; D327-T330 PolarHBondContact O-N 3.21Å; D327-I331 WeakPolarHBondContact O-CG1 3.12Å; D327-I331 PolarHBondContact O-N 3Å; D327-I331 WeakPolarHBondContact OD1-CD1 3.32Å
328L95.5Very high94.4Very high0 Ų019.3 Ų19.30%010%0.099CC..Hα-helixtrans-56.8-30.9-175.2-176.359.1000113.3K49 L320 R323 I331 D332 L343 L362 L363K49-L328 HydrophobicContact CB-CB 4.41Å; K49-L328 HydrophobicContact CB-CD2 4.31Å; K49-L328 HydrophobicContact CG-CB 3.81Å; K49-L328 HydrophobicContact CG-CD2 3.87Å; K49-L328 HydrophobicContact CG-CG 3.78Å; L320-L328 HydrophobicContact CB-CD2 4.49Å; L320-L328 HydrophobicContact CD2-CD1 3.9Å; R323-L328 HydrophobicContact CB-CB 4.2Å; R323-L328 HydrophobicContact CB-CD1 4.45Å; R323-L328 WeakPolarHBondContact O-CB 3.41Å; R323-L328 PolarHBondContact O-N 3.19Å; L328-I331 PolarHBondContact O-N 3.15Å; L328-D332 VanDerWaalsContact O-CB 3.27Å; L328-D332 WeakPolarHBondContact O-CB 3.22Å; L328-D332 PolarHBondContact O-N 3.12Å; L328-L343 HydrophobicContact CD1-CD2 4.34Å; L328-L362 HydrophobicContact CD2-CD2 4.48Å; L328-L362 HydrophobicContact CD2-CG 4.18Å; L328-L363 HydrophobicContact CD1-CD2 4.14Å; L328-L363 HydrophobicContact CD2-CD2 4.02Å; L328-L363 HydrophobicContact CG-CD2 4.14Å
329H93.3Very high94.4Very high15 Ų1521.8 Ų21.87%0.06911%0.108CC..Hα-helixtrans-72.8-36.4174.2-174.644.1000112.6E47 P48 K49 D327 K333 K365 I368E47-H329 HydrophobicContact CB-CB 3.83Å; E47-H329 WeakPolarHBondContact O-CA 3.25Å; E47-H329 VanDerWaalsContact O-CB 3.27Å; E47-H329 WeakPolarHBondContact O-CB 3.27Å; E47-H329 PolarHBondContact O-N 2.95Å; E47-H329 IonicContact OE1-CD2 3.77Å; E47-H329 PolarHBondContact OE1-CD2 3.28Å; E47-H329 IonicContact OE1-NE2 3.37Å; P48-H329 WeakPolarHBondContact O-CB 3.37Å; K49-H329 HydrophobicContact CD-CB 3.96Å; K49-H329 HydrophobicContact CG-CB 4.24Å; K49-H329 PolarHBondContact NZ-ND1 3.16Å; D327-H329 PolarHBondContact O-N 3.37Å; D327-H329 VanDerWaalsContact O-N 3.09Å; H329-K333 VanDerWaalsContact CE1-CE 3.48Å; H329-K333 WeakPolarHBondContact CE1-CE 3.46Å; H329-K333 WeakPolarHBondContact NE2-CE 3.48Å; H329-K333 PolarHBondContact NE2-NZ 2.73Å; H329-K333 WeakPolarHBondContact O-CG 3.46Å; H329-K333 PolarHBondContact O-N 2.95Å; H329-K365 PolarHBondContact NE2-NZ 3.12Å; H329-I368 HydrophobicContact CB-CD1 4.38Å
330T92.2Very high94.3Very high3 Ų323.8 Ų23.82%0.01813%0.132CC..Hα-helixtrans-66.3-41.5170.5-56.30000111.5E47 P295 D327 D332 K333 M334 I376E47-T330 PolarHBondContact N-OG1 3.49Å; E47-T330 PolarHBondContact O-N 3Å; P295-T330 HydrophobicContact CB-CG2 3.69Å; P295-T330 HydrophobicContact CG-CG2 3.64Å; D327-T330 CarbonylContact O-C 3.58Å; D327-T330 WeakPolarHBondContact O-CA 3.42Å; D327-T330 WeakPolarHBondContact O-CB 3.47Å; D327-T330 PolarHBondContact O-N 3.21Å; T330-D332 VanDerWaalsContact C-N 3.34Å; T330-D332 PolarHBondContact O-N 3.18Å; T330-K333 PolarHBondContact O-N 3.47Å; T330-M334 HydrophobicContact CG2-CE 4.1Å; T330-M334 WeakPolarHBondContact O-CG 3.33Å; T330-M334 PolarHBondContact O-N 2.88Å; T330-I376 HydrophobicContact CG2-CD1 3.86Å
331I94.9Very high94.2Very high0 Ų026.4 Ų26.40%015%0.146CC..Hα-helixtrans-57.1-48.3174.8-69.8171.9000110.2P295 F298 A299 I302 R323 D327 L328 K333 M334 Y335P295-I331 HydrophobicContact CB-CG1 3.98Å; F298-I331 HydrophobicContact CB-CD1 3.59Å; F298-I331 HydrophobicContact CB-CG1 4.16Å; F298-I331 HydrophobicContact CD2-CD1 4.49Å; F298-I331 HydrophobicContact CG-CD1 4.28Å; A299-I331 HydrophobicContact CB-CG2 4Å; I302-I331 HydrophobicContact CD1-CG2 3.98Å; R323-I331 HydrophobicContact CB-CD1 3.78Å; R323-I331 HydrophobicContact CG-CD1 3.73Å; D327-I331 WeakPolarHBondContact O-CG1 3.12Å; D327-I331 PolarHBondContact O-N 3Å; D327-I331 WeakPolarHBondContact OD1-CD1 3.32Å; L328-I331 PolarHBondContact O-N 3.15Å; I331-K333 VanDerWaalsContact C-N 3.34Å; I331-K333 PolarHBondContact O-N 3.29Å; I331-M334 CarbonylContact O-C 3.53Å; I331-M334 PolarHBondContact O-N 3.38Å; I331-M334 VanDerWaalsContact O-N 3.08Å; I331-Y335 WeakPolarHBondContact O-CB 3.45Å; I331-Y335 PolarHBondContact O-N 3.2Å
332D93.2Very high94Very high21 Ų2131.7 Ų31.711%0.11217%0.166CC..Hα-helixtrans-56.4-44177.9-17928.3000112.2K49 L328 T330 Y335 K336K49-D332 IonicContact NZ-OD2 2.78Å; K49-D332 PolarHBondContact NZ-OD2 2.99Å; L328-D332 VanDerWaalsContact O-CB 3.27Å; L328-D332 WeakPolarHBondContact O-CB 3.22Å; L328-D332 PolarHBondContact O-N 3.12Å; T330-D332 VanDerWaalsContact C-N 3.34Å; T330-D332 PolarHBondContact O-N 3.18Å; D332-Y335 WeakPolarHBondContact O-CB 3.42Å; D332-Y335 PolarHBondContact O-N 2.94Å; D332-K336 PolarHBondContact O-N 2.87Å; D332-K336 VanDerWaalsContact O-N 3.09Å
333K91.5Very high94Very high72 Ų7231 Ų3131%0.31316%0.163SC..Hα-helixtrans-62.7-43.1173.2-68.1178.1-170.3175.50112.4E47 H329 T330 I331 A337E47-K333 IonicContact OE1-NZ 3.87Å; E47-K333 PolarHBondContact OE1-NZ 3.42Å; E47-K333 IonicContact OE2-NZ 2.96Å; E47-K333 PolarHBondContact OE2-NZ 2.94Å; H329-K333 VanDerWaalsContact CE1-CE 3.48Å; H329-K333 WeakPolarHBondContact CE1-CE 3.46Å; H329-K333 WeakPolarHBondContact NE2-CE 3.48Å; H329-K333 PolarHBondContact NE2-NZ 2.73Å; H329-K333 WeakPolarHBondContact O-CG 3.46Å; H329-K333 PolarHBondContact O-N 2.95Å; T330-K333 PolarHBondContact O-N 3.47Å; I331-K333 VanDerWaalsContact C-N 3.34Å; I331-K333 PolarHBondContact O-N 3.29Å; K333-A337 WeakPolarHBondContact O-CB 3.28Å; K333-A337 PolarHBondContact O-N 3Å
334M91.4Very high93.9Very high4 Ų432.4 Ų32.42%0.0217%0.173CC..Hα-helixtrans-67.5-38178.5-67.1-55.5153.700112.1P295 M296 A299 T330 I331 A337 K338 L378 L380P295-M334 HydrophobicContact CB-CG 3.97Å; M296-M334 HydrophobicContact CB-CB 4.44Å; M296-M334 HydrophobicContact CE-CB 3.88Å; M296-M334 HydrophobicContact CE-CG 4.33Å; M296-M334 HydrophobicContact CE-SD 3.93Å; M296-M334 HydrophobicContact SD-CB 3.95Å; A299-M334 HydrophobicContact CB-CB 4.37Å; T330-M334 HydrophobicContact CG2-CE 4.1Å; T330-M334 WeakPolarHBondContact O-CG 3.33Å; T330-M334 PolarHBondContact O-N 2.88Å; I331-M334 CarbonylContact O-C 3.53Å; I331-M334 PolarHBondContact O-N 3.38Å; I331-M334 VanDerWaalsContact O-N 3.08Å; M334-A337 PolarHBondContact O-N 3.48Å; M334-K338 WeakPolarHBondContact O-CB 3.41Å; M334-K338 PolarHBondContact O-N 2.57Å; M334-L378 HydrophobicContact CE-CD2 3.47Å; M334-L378 VanDerWaalsContact CE-CD2 3.47Å; M334-L378 HydrophobicContact SD-CD2 3.76Å; M334-L380 HydrophobicContact CE-CD1 3.3Å; M334-L380 HydrophobicContact CE-CG 4.03Å; M334-L380 HydrophobicContact SD-CD1 3.8Å; M334-L380 HydrophobicContact SD-CG 4.43Å
335Y94.5Very high93.9Very high0 Ų035.4 Ų35.40%019%0.189CC..Hα-helixtrans-58-51.7175.7-163.5-79000110.4A299 I302 H303 I331 D332 A337 K338 Y339 I341 L343 D346A299-Y335 HydrophobicContact CB-CD2 4.06Å; A299-Y335 WeakPolarHBondContact O-CD2 3.49Å; I302-Y335 HydrophobicContact CG2-CE2 4.25Å; H303-Y335 WeakPolarHBondContact CA-OH 3.25Å; H303-Y335 HydrophobicContact CB-CD2 4.44Å; H303-Y335 HydrophobicContact CB-CE2 3.53Å; H303-Y335 AromaticContact CD2-CZ 3.86Å; H303-Y335 PolarHBondContact CD2-OH 3.34Å; I331-Y335 WeakPolarHBondContact O-CB 3.45Å; I331-Y335 PolarHBondContact O-N 3.2Å; D332-Y335 WeakPolarHBondContact O-CB 3.42Å; D332-Y335 PolarHBondContact O-N 2.94Å; Y335-A337 VanDerWaalsContact C-N 3.34Å; Y335-A337 PolarHBondContact O-N 2.72Å; Y335-K338 PolarHBondContact O-N 3.32Å; Y335-Y339 HydrophobicContact CD1-CD2 4.14Å; Y335-Y339 HydrophobicContact CD2-CD2 4.18Å; Y335-Y339 HydrophobicContact CD2-CE2 4.38Å; Y335-Y339 HydrophobicContact CE1-CD2 4.21Å; Y335-Y339 HydrophobicContact CE2-CD2 4.26Å; Y335-Y339 HydrophobicContact CE2-CE2 4.42Å; Y335-Y339 HydrophobicContact CG-CD2 4.11Å; Y335-Y339 WeakPolarHBondContact O-CD2 3.14Å; Y335-Y339 PolarHBondContact O-N 3.45Å; Y335-I341 WeakPolarHBondContact CD1-O 3.31Å; Y335-I341 HydrophobicContact CE1-CG2 4.03Å; Y335-L343 HydrophobicContact CD1-CB 3.96Å; Y335-L343 HydrophobicContact CD2-CB 4.31Å; Y335-L343 HydrophobicContact CD2-CD1 4.08Å; Y335-L343 HydrophobicContact CE1-CB 4.32Å; Y335-L343 HydrophobicContact CE1-CD1 4.47Å; Y335-L343 HydrophobicContact CE2-CD1 3.78Å; Y335-L343 HydrophobicContact CG-CB 3.95Å; Y335-D346 VanDerWaalsContact CE1-OD2 3.24Å; Y335-D346 WeakPolarHBondContact CE1-OD2 3.44Å; Y335-D346 VanDerWaalsContact CZ-OD2 3.27Å; Y335-D346 PolarHBondContact OH-OD2 2.97Å
336K93.8Very high94Very high67 Ų6733.5 Ų33.529%0.29118%0.18SC..Hα-helixtrans-60.8-41.8176.1-177.361.1176.6-173.70112.6D332 G340 I341 Y342D332-K336 PolarHBondContact O-N 2.87Å; D332-K336 VanDerWaalsContact O-N 3.09Å; K336-G340 WeakPolarHBondContact CE-O 3.33Å; K336-G340 PolarHBondContact NZ-O 2.98Å; K336-G340 WeakPolarHBondContact O-CA 3.36Å; K336-G340 PolarHBondContact O-N 3.24Å; K336-I341 VanDerWaalsContact CA-O 3.32Å; K336-I341 WeakPolarHBondContact CA-O 3.04Å; K336-I341 VanDerWaalsContact CD-C 3.47Å; K336-I341 WeakPolarHBondContact CD-O 3.12Å; K336-Y342 HydrophobicContact CB-CD1 4.25Å; K336-Y342 HydrophobicContact CB-CE1 4.46Å; K336-Y342 HydrophobicContact CD-CD1 3.87Å; K336-Y342 HydrophobicContact CD-CD2 4.18Å; K336-Y342 HydrophobicContact CD-CE1 3.92Å; K336-Y342 HydrophobicContact CD-CE2 4.24Å; K336-Y342 HydrophobicContact CD-CG 4Å; K336-Y342 HydrophobicContact CG-CD1 4.04Å; K336-Y342 HydrophobicContact CG-CE1 3.88Å
337A91.2Very high94Very high66 Ų6633.5 Ų33.555%0.54518%0.18SC..Hα-helixtrans-65.2-37.2179.600000113K333 M334 Y335K333-A337 WeakPolarHBondContact O-CB 3.28Å; K333-A337 PolarHBondContact O-N 3Å; M334-A337 PolarHBondContact O-N 3.48Å; Y335-A337 VanDerWaalsContact C-N 3.34Å; Y335-A337 PolarHBondContact O-N 2.72Å
338K93.3Very high94Very high78 Ų7839 Ų3934%0.33920%0.204SC..Hα-helixtrans-84.1-43-178179.9171.5173.7-1770113.4M296 T300 M334 Y335M296-K338 HydrophobicContact CE-CB 3.94Å; M296-K338 HydrophobicContact CG-CD 4.17Å; M296-K338 HydrophobicContact SD-CB 3.54Å; M296-K338 VanDerWaalsContact SD-CB 3.54Å; M296-K338 HydrophobicContact SD-CD 3.4Å; M296-K338 WeakPolarHBondContact SD-CD 3.37Å; M296-K338 HydrophobicContact SD-CG 4.04Å; T300-K338 PolarHBondContact OG1-NZ 3.5Å; M334-K338 WeakPolarHBondContact O-CB 3.41Å; M334-K338 PolarHBondContact O-N 2.57Å; Y335-K338 PolarHBondContact O-N 3.32Å
339Y94.7Very high93.8Very high57 Ų5743.9 Ų43.922%0.22422%0.222CC..Hα-helixtrans-105-8.2-170.3-60.1-69.4000113.8T300 H303 Y335 I341T300-Y339 WeakPolarHBondContact CA-OH 3.43Å; H303-Y339 HydrophobicContact CB-CD2 4.04Å; H303-Y339 HydrophobicContact CB-CE1 4.15Å; H303-Y339 HydrophobicContact CB-CE2 3.42Å; H303-Y339 VanDerWaalsContact CB-CE2 3.42Å; H303-Y339 VanDerWaalsContact CB-CZ 3.47Å; H303-Y339 AromaticContact CD2-CD1 3.36Å; H303-Y339 WeakPolarHBondContact CD2-CD1 3.49Å; H303-Y339 AromaticContact CD2-CD2 3.65Å; H303-Y339 AromaticContact CD2-CE1 3.49Å; H303-Y339 VanDerWaalsContact CD2-CE1 3.49Å; H303-Y339 WeakPolarHBondContact CD2-CE1 3.32Å; H303-Y339 AromaticContact CD2-CE2 3.8Å; H303-Y339 AromaticContact CD2-CG 3.43Å; H303-Y339 VanDerWaalsContact CD2-CG 3.43Å; H303-Y339 AromaticContact CD2-CZ 3.7Å; H303-Y339 AromaticContact CE1-CD1 3.86Å; H303-Y339 AromaticContact CE1-CE1 3.59Å; H303-Y339 AromaticContact CG-CD1 3.84Å; H303-Y339 AromaticContact CG-CD2 3.95Å; H303-Y339 AromaticContact CG-CE1 3.44Å; H303-Y339 VanDerWaalsContact CG-CE1 3.44Å; H303-Y339 AromaticContact CG-CE2 3.59Å; H303-Y339 AromaticContact CG-CZ 3.3Å; H303-Y339 AromaticContact ND1-CE1 3.49Å; H303-Y339 WeakPolarHBondContact ND1-CE1 3.4Å; H303-Y339 AromaticContact ND1-CZ 3.65Å; H303-Y339 AromaticContact NE2-CD1 3.36Å; H303-Y339 WeakPolarHBondContact NE2-CD1 3.49Å; H303-Y339 AromaticContact NE2-CE1 3.57Å; H303-Y339 AromaticContact NE2-CG 3.86Å; Y335-Y339 HydrophobicContact CD1-CD2 4.14Å; Y335-Y339 HydrophobicContact CD2-CD2 4.18Å; Y335-Y339 HydrophobicContact CD2-CE2 4.38Å; Y335-Y339 HydrophobicContact CE1-CD2 4.21Å; Y335-Y339 HydrophobicContact CE2-CD2 4.26Å; Y335-Y339 HydrophobicContact CE2-CE2 4.42Å; Y335-Y339 HydrophobicContact CG-CD2 4.11Å; Y335-Y339 WeakPolarHBondContact O-CD2 3.14Å; Y335-Y339 PolarHBondContact O-N 3.45Å; Y339-I341 PolarHBondContact O-N 3.28Å; Y339-I341 VanDerWaalsContact O-N 3.14Å
340G94.3Very high93.7Very high53 Ų5344.8 Ų44.855%0.54623%0.227SC..SBendtrans72.30.4179.300000114.7K336K336-G340 WeakPolarHBondContact CE-O 3.33Å; K336-G340 PolarHBondContact NZ-O 2.98Å; K336-G340 WeakPolarHBondContact O-CA 3.36Å; K336-G340 PolarHBondContact O-N 3.24Å
341I94.3Very high93.7Very high55 Ų5545 Ų4528%0.28223%0.228SC..SBendtrans-121.5150.4178.1-175163.6000110.5Y335 K336 Y339 D345Y335-I341 WeakPolarHBondContact CD1-O 3.31Å; Y335-I341 HydrophobicContact CE1-CG2 4.03Å; K336-I341 VanDerWaalsContact CA-O 3.32Å; K336-I341 WeakPolarHBondContact CA-O 3.04Å; K336-I341 VanDerWaalsContact CD-C 3.47Å; K336-I341 WeakPolarHBondContact CD-O 3.12Å; Y339-I341 PolarHBondContact O-N 3.28Å; Y339-I341 VanDerWaalsContact O-N 3.14Å; I341-D345 HydrophobicContact CD1-CB 3.93Å; I341-D345 HydrophobicContact CG1-CB 3.75Å
342Y94.3Very high93.4Very high118 Ų11853.4 Ų53.446%0.46326%0.261SS..  trans-77.5143.1176.1-66.6-79.5000110.2K336 S344 D345 D346K336-Y342 HydrophobicContact CB-CD1 4.25Å; K336-Y342 HydrophobicContact CB-CE1 4.46Å; K336-Y342 HydrophobicContact CD-CD1 3.87Å; K336-Y342 HydrophobicContact CD-CD2 4.18Å; K336-Y342 HydrophobicContact CD-CE1 3.92Å; K336-Y342 HydrophobicContact CD-CE2 4.24Å; K336-Y342 HydrophobicContact CD-CG 4Å; K336-Y342 HydrophobicContact CG-CD1 4.04Å; K336-Y342 HydrophobicContact CG-CE1 3.88Å; Y342-S344 WeakPolarHBondContact CB-OG 3.4Å; Y342-S344 PolarHBondContact O-N 2.97Å; Y342-D345 WeakPolarHBondContact CB-OD2 3.36Å; Y342-D345 WeakPolarHBondContact CD2-OD2 3.36Å; Y342-D345 WeakPolarHBondContact O-CB 3.39Å; Y342-D345 PolarHBondContact O-N 3.48Å; Y342-D346 PolarHBondContact O-N 2.92Å
343L96.2Very high93.3Very high0 Ų055 Ų550%028%0.281CS..Hα-helixtrans-56.4-35.3175.1174.456.7000111.4I302 L306 L320 L328 Y335 D345 D346 V347 L363I302-L343 HydrophobicContact CG2-CD1 3.52Å; L306-L343 HydrophobicContact CD1-CD1 3.78Å; L320-L343 HydrophobicContact CD2-CD2 4.07Å; L328-L343 HydrophobicContact CD1-CD2 4.34Å; Y335-L343 HydrophobicContact CD1-CB 3.96Å; Y335-L343 HydrophobicContact CD2-CB 4.31Å; Y335-L343 HydrophobicContact CD2-CD1 4.08Å; Y335-L343 HydrophobicContact CE1-CB 4.32Å; Y335-L343 HydrophobicContact CE1-CD1 4.47Å; Y335-L343 HydrophobicContact CE2-CD1 3.78Å; Y335-L343 HydrophobicContact CG-CB 3.95Å; L343-D345 PolarHBondContact O-N 3.5Å; L343-D346 PolarHBondContact O-N 3.32Å; L343-V347 HydrophobicContact CD1-CG2 4.18Å; L343-V347 HydrophobicContact CG-CG2 4.5Å; L343-V347 WeakPolarHBondContact O-CG2 3.4Å; L343-V347 PolarHBondContact O-N 3.24Å; L343-L363 HydrophobicContact CD2-CD2 3.73Å; L343-L363 HydrophobicContact CG-CD1 4.11Å; L343-L363 HydrophobicContact CG-CD2 4.18Å
344S95.3Very high93.3Very high30 Ų3058.2 Ų58.221%0.2130%0.298CS..Hα-helixtrans-60.8-29.7174.458.40000114Y342 K348 L360Y342-S344 WeakPolarHBondContact CB-OG 3.4Å; Y342-S344 PolarHBondContact O-N 2.97Å; S344-K348 WeakPolarHBondContact O-CB 3.31Å; S344-K348 VanDerWaalsContact O-CG 3.31Å; S344-K348 WeakPolarHBondContact O-CG 3.46Å; S344-K348 PolarHBondContact O-N 2.98Å; S344-L360 WeakPolarHBondContact O-CD2 2.92Å
345D95.1Very high93.3Very high64 Ų6458.2 Ų58.234%0.34230%0.298SS..Hα-helixtrans-76.8-41.4-179.3-60.2-25.7000110.4I341 Y342 L343 K348 R349I341-D345 HydrophobicContact CD1-CB 3.93Å; I341-D345 HydrophobicContact CG1-CB 3.75Å; Y342-D345 WeakPolarHBondContact CB-OD2 3.36Å; Y342-D345 WeakPolarHBondContact CD2-OD2 3.36Å; Y342-D345 WeakPolarHBondContact O-CB 3.39Å; Y342-D345 PolarHBondContact O-N 3.48Å; L343-D345 PolarHBondContact O-N 3.5Å; D345-K348 PolarHBondContact O-N 3.4Å; D345-R349 PolarHBondContact O-N 3.07Å; D345-R349 VanDerWaalsContact O-N 3.07Å
346D95.7Very high93.2Very high0 Ų058.6 Ų58.60%030%0.3CS..Hα-helixtrans-65.8-39.3172.7-76.2-34.2000111.7L306 H307 Y335 Y342 L343 K348 R349 I350L306-D346 HydrophobicContact CD1-CB 3.94Å; H307-D346 IonicContact CE1-OD1 3.76Å; H307-D346 IonicContact CE1-OD2 3.8Å; H307-D346 PolarHBondContact CE1-OD2 2.91Å; H307-D346 IonicContact NE2-OD1 3.65Å; Y335-D346 VanDerWaalsContact CE1-OD2 3.24Å; Y335-D346 WeakPolarHBondContact CE1-OD2 3.44Å; Y335-D346 VanDerWaalsContact CZ-OD2 3.27Å; Y335-D346 PolarHBondContact OH-OD2 2.97Å; Y342-D346 PolarHBondContact O-N 2.92Å; L343-D346 PolarHBondContact O-N 3.32Å; D346-K348 PolarHBondContact O-N 3.43Å; D346-R349 WeakPolarHBondContact O-CB 3.49Å; D346-R349 PolarHBondContact O-N 3.47Å; D346-R349 VanDerWaalsContact O-N 3.15Å; D346-R349 IonicContact OD1-CZ 3.86Å; D346-R349 IonicContact OD1-NH1 3.89Å; D346-R349 PolarHBondContact OD1-NH1 3.2Å; D346-R349 IonicContact OD1-NH2 2.69Å; D346-R349 PolarHBondContact OD1-NH2 2.92Å; D346-I350 WeakPolarHBondContact O-CG1 3.37Å; D346-I350 PolarHBondContact O-N 2.96Å
347V94.9Very high93.2Very high0 Ų060.4 Ų60.40%031%0.313CS..Hα-helixtrans-62.3-43.5172.9169.60000111L306 L320 L343 R349 I350 Y351 L359 L360 L363L306-V347 HydrophobicContact CD1-CG2 4.39Å; L320-V347 HydrophobicContact CD1-CG2 4.4Å; L343-V347 HydrophobicContact CD1-CG2 4.18Å; L343-V347 HydrophobicContact CG-CG2 4.5Å; L343-V347 WeakPolarHBondContact O-CG2 3.4Å; L343-V347 PolarHBondContact O-N 3.24Å; V347-R349 PolarHBondContact O-N 3.36Å; V347-I350 PolarHBondContact O-N 3.4Å; V347-Y351 HydrophobicContact CB-CD2 4.32Å; V347-Y351 HydrophobicContact CG1-CD2 3.74Å; V347-Y351 HydrophobicContact CG1-CE2 4.35Å; V347-Y351 HydrophobicContact CG1-CG 4.42Å; V347-Y351 WeakPolarHBondContact O-CB 3.24Å; V347-Y351 VanDerWaalsContact O-CD2 3.22Å; V347-Y351 WeakPolarHBondContact O-CD2 3.15Å; V347-Y351 PolarHBondContact O-N 3.06Å; V347-L359 HydrophobicContact CG1-CB 4.04Å; V347-L359 HydrophobicContact CG1-CD1 4.42Å; V347-L360 HydrophobicContact CG1-CD2 4.25Å; V347-L363 HydrophobicContact CB-CD1 4.15Å; V347-L363 HydrophobicContact CG1-CD1 4.38Å; V347-L363 HydrophobicContact CG2-CD1 3.84Å
348K93.8Very high93.3Very high115 Ų11557.7 Ų57.750%0.529%0.291SS..Hα-helixtrans-60.4-28.8174.3-82.8168.8-176.9178.50114S344 D345 D346 L360S344-K348 WeakPolarHBondContact O-CB 3.31Å; S344-K348 VanDerWaalsContact O-CG 3.31Å; S344-K348 WeakPolarHBondContact O-CG 3.46Å; S344-K348 PolarHBondContact O-N 2.98Å; D345-K348 PolarHBondContact O-N 3.4Å; D346-K348 PolarHBondContact O-N 3.43Å; K348-L360 HydrophobicContact CD-CD1 4.1Å; K348-L360 HydrophobicContact CD-CD2 4.29Å; K348-L360 HydrophobicContact CG-CD1 3.52Å; K348-L360 HydrophobicContact CG-CD2 3.82Å; K348-L360 HydrophobicContact CG-CG 4.2Å
349R93.1Very high93.4Very high104 Ų10454 Ų5439%0.39228%0.275SS..Hα-helixtrans-73.1-36178.9-174.9-176.768-144.10.8112.1L306 H307 D345 D346 V347 Y352L306-R349 PolarHBondContact O-NH2 3.48Å; H307-R349 PolarHBondContact CD2-NH2 2.88Å; H307-R349 VanDerWaalsContact CD2-NH2 3.29Å; H307-R349 PolarHBondContact CE1-NH2 3.31Å; H307-R349 VanDerWaalsContact CE1-NH2 3.27Å; H307-R349 PolarHBondContact NE2-NH1 2.94Å; H307-R349 PolarHBondContact NE2-NH2 3.37Å; D345-R349 PolarHBondContact O-N 3.07Å; D345-R349 VanDerWaalsContact O-N 3.07Å; D346-R349 WeakPolarHBondContact O-CB 3.49Å; D346-R349 PolarHBondContact O-N 3.47Å; D346-R349 VanDerWaalsContact O-N 3.15Å; D346-R349 IonicContact OD1-CZ 3.86Å; D346-R349 IonicContact OD1-NH1 3.89Å; D346-R349 PolarHBondContact OD1-NH1 3.2Å; D346-R349 IonicContact OD1-NH2 2.69Å; D346-R349 PolarHBondContact OD1-NH2 2.92Å; V347-R349 PolarHBondContact O-N 3.36Å; R349-Y352 PolarHBondContact O-OH 3.08Å; R349-Y352 VanDerWaalsContact O-OH 3.08Å
350I91.1Very high93.3Very high34 Ų3451.9 Ų51.917%0.17427%0.268CS..Hα-helixtrans-91.5-35-173.7-59.7-45000112.2L306 I311 D346 V347 Y352L306-I350 HydrophobicContact CD2-CB 4.18Å; L306-I350 HydrophobicContact CD2-CG1 3.77Å; L306-I350 HydrophobicContact CD2-CG2 4.44Å; I311-I350 HydrophobicContact CD1-CD1 3.32Å; I311-I350 HydrophobicContact CD1-CG1 3.8Å; I311-I350 HydrophobicContact CD1-CG2 3.91Å; I311-I350 HydrophobicContact CG2-CG2 4.19Å; D346-I350 WeakPolarHBondContact O-CG1 3.37Å; D346-I350 PolarHBondContact O-N 2.96Å; V347-I350 PolarHBondContact O-N 3.4Å; I350-Y352 VanDerWaalsContact O-CE2 3.28Å; I350-Y352 WeakPolarHBondContact O-CE2 3.46Å
351Y90.9Very high93.3Very high6 Ų652.3 Ų52.32%0.02425%0.254CS..  trans-108.2149.3-172.4-60.2-90.7000111.3L306 V313 V316 V347 Y355 A356 L359L306-Y351 HydrophobicContact CD2-CE2 4.04Å; V313-Y351 HydrophobicContact CB-CE1 4.39Å; V313-Y351 HydrophobicContact CG1-CD1 4.12Å; V313-Y351 HydrophobicContact CG1-CE1 3.38Å; V313-Y351 PolarHBondContact O-OH 3.38Å; V316-Y351 VanDerWaalsContact CB-OH 3.25Å; V316-Y351 WeakPolarHBondContact CB-OH 3.35Å; V316-Y351 HydrophobicContact CG1-CE2 4.37Å; V316-Y351 WeakPolarHBondContact CG1-OH 3.39Å; V347-Y351 HydrophobicContact CB-CD2 4.32Å; V347-Y351 HydrophobicContact CG1-CD2 3.74Å; V347-Y351 HydrophobicContact CG1-CE2 4.35Å; V347-Y351 HydrophobicContact CG1-CG 4.42Å; V347-Y351 WeakPolarHBondContact O-CB 3.24Å; V347-Y351 VanDerWaalsContact O-CD2 3.22Å; V347-Y351 WeakPolarHBondContact O-CD2 3.15Å; V347-Y351 PolarHBondContact O-N 3.06Å; Y351-Y355 AromaticContact CD1-CD1 3.62Å; Y351-Y355 HydrophobicContact CD1-CD1 3.62Å; Y351-Y355 AromaticContact CD1-CE1 3.18Å; Y351-Y355 HydrophobicContact CD1-CE1 3.18Å; Y351-Y355 AromaticContact CD1-CZ 3.88Å; Y351-Y355 HydrophobicContact CE1-CD1 4.31Å; Y351-Y355 AromaticContact CE1-CE1 3.42Å; Y351-Y355 HydrophobicContact CE1-CE1 3.42Å; Y351-Y355 VanDerWaalsContact CE1-CE1 3.42Å; Y351-Y355 AromaticContact CE1-CZ 3.78Å; Y351-Y355 HydrophobicContact CG-CE1 4.42Å; Y351-A356 WeakPolarHBondContact O-CB 3.49Å; Y351-L359 HydrophobicContact CD1-CD1 3.52Å; Y351-L359 HydrophobicContact CD2-CD1 4.07Å; Y351-L359 HydrophobicContact CE1-CD1 3.55Å; Y351-L359 HydrophobicContact CE2-CD1 4.17Å; Y351-L359 HydrophobicContact CG-CD1 3.77Å
352Y89.9Confident93.1Very high178 Ų17849.9 Ų49.970%0.69824%0.242SC*.  trans-132.6156.8-177.1-52.9-86.5000113R349 I350 A356R349-Y352 PolarHBondContact O-OH 3.08Å; R349-Y352 VanDerWaalsContact O-OH 3.08Å; I350-Y352 VanDerWaalsContact O-CE2 3.28Å; I350-Y352 WeakPolarHBondContact O-CE2 3.46Å; Y352-A356 PolarHBondContact O-N 3.21Å
353G90.9Very high93.1Very high53 Ų5344.7 Ų44.755%0.54622%0.222SC..Hα-helixtrans62.3-151.2174.100000114.2Y355 A356 D357G353-Y355 PolarHBondContact O-N 3.47Å; G353-A356 WeakPolarHBondContact O-CB 3.42Å; G353-A356 PolarHBondContact O-N 3.39Å; G353-D357 PolarHBondContact O-N 3.35Å
354E90.2Very high92.6Very high140 Ų14051.5 Ų51.565%0.65425%0.252SS*.Hα-helixtrans-55-30.3-177.9-63.1177.9171.100113M115 D357 A358M115-E354 HydrophobicContact CG-CB 4.3Å; M115-E354 HydrophobicContact SD-CB 4.35Å; E354-D357 PolarHBondContact O-N 2.95Å; E354-A358 WeakPolarHBondContact O-CB 3.37Å; E354-A358 PolarHBondContact O-N 2.99Å
355Y91.6Very high91.3Very high5 Ų555.6 Ų55.62%0.0227%0.266CS..Hα-helixtrans-68.6-43.6176.7-176.3-134.7000112.7L114 M115 L118 V313 Q317 Y351 G353 D357 A358 L359L114-Y355 HydrophobicContact CB-CD1 3.58Å; L114-Y355 HydrophobicContact CB-CD2 4.37Å; L114-Y355 HydrophobicContact CB-CE1 3.73Å; L114-Y355 HydrophobicContact CB-CG 3.92Å; L114-Y355 HydrophobicContact CD1-CD1 3.75Å; L114-Y355 HydrophobicContact CD1-CE1 3.86Å; L114-Y355 HydrophobicContact CD2-CE1 4.19Å; L114-Y355 HydrophobicContact CG-CD1 4.21Å; L114-Y355 HydrophobicContact CG-CE1 4.14Å; M115-Y355 WeakPolarHBondContact SD-CA 3.28Å; M115-Y355 HydrophobicContact SD-CD2 3.99Å; M115-Y355 HydrophobicContact SD-CG 4.39Å; L118-Y355 HydrophobicContact CB-CD2 4.26Å; L118-Y355 HydrophobicContact CB-CE2 3.93Å; L118-Y355 HydrophobicContact CD2-CD2 4.03Å; L118-Y355 HydrophobicContact CD2-CE2 4.05Å; L118-Y355 HydrophobicContact CG-CE2 4.47Å; V313-Y355 HydrophobicContact CG1-CE1 4.02Å; Q317-Y355 WeakPolarHBondContact CB-OH 3.49Å; Q317-Y355 PolarHBondContact OE1-OH 3.34Å; Y351-Y355 AromaticContact CD1-CD1 3.62Å; Y351-Y355 HydrophobicContact CD1-CD1 3.62Å; Y351-Y355 AromaticContact CD1-CE1 3.18Å; Y351-Y355 HydrophobicContact CD1-CE1 3.18Å; Y351-Y355 AromaticContact CD1-CZ 3.88Å; Y351-Y355 HydrophobicContact CE1-CD1 4.31Å; Y351-Y355 AromaticContact CE1-CE1 3.42Å; Y351-Y355 HydrophobicContact CE1-CE1 3.42Å; Y351-Y355 VanDerWaalsContact CE1-CE1 3.42Å; Y351-Y355 AromaticContact CE1-CZ 3.78Å; Y351-Y355 HydrophobicContact CG-CE1 4.42Å; G353-Y355 PolarHBondContact O-N 3.47Å; Y355-D357 VanDerWaalsContact C-N 3.33Å; Y355-A358 PolarHBondContact O-N 3.43Å; Y355-L359 HydrophobicContact CD2-CG 4.43Å; Y355-L359 HydrophobicContact CE1-CD1 4.28Å; Y355-L359 HydrophobicContact CE2-CD1 3.95Å; Y355-L359 HydrophobicContact CE2-CD2 4.26Å; Y355-L359 HydrophobicContact CE2-CG 4.03Å; Y355-L359 WeakPolarHBondContact O-CG 3.34Å; Y355-L359 PolarHBondContact O-N 3.48Å; Y355-L359 VanDerWaalsContact O-N 3.13Å
356A93Very high89.8Confident7 Ų757.9 Ų57.96%0.05828%0.275CS..Hα-helixtrans-60.7-45.5171.100000110.9Y351 Y352 G353 A358 L359 L360Y351-A356 WeakPolarHBondContact O-CB 3.49Å; Y352-A356 PolarHBondContact O-N 3.21Å; G353-A356 WeakPolarHBondContact O-CB 3.42Å; G353-A356 PolarHBondContact O-N 3.39Å; A356-A358 VanDerWaalsContact C-N 3.29Å; A356-A358 PolarHBondContact O-N 3.28Å; A356-L359 PolarHBondContact O-N 2.77Å; A356-L360 VanDerWaalsContact O-CB 3.32Å; A356-L360 WeakPolarHBondContact O-CB 3.23Å; A356-L360 WeakPolarHBondContact O-CD1 3.44Å; A356-L360 WeakPolarHBondContact O-CG 3.38Å; A356-L360 PolarHBondContact O-N 3.16Å
357D93.4Very high88.4Confident105 Ų10567.4 Ų67.456%0.56132%0.319SS*.Hα-helixtrans-60.5-39.7-178.7-69-31.8000112.2G353 E354 Y355 L360 K361G353-D357 PolarHBondContact O-N 3.35Å; E354-D357 PolarHBondContact O-N 2.95Å; Y355-D357 VanDerWaalsContact C-N 3.33Å; D357-L360 PolarHBondContact O-N 3.47Å; D357-K361 WeakPolarHBondContact O-CB 3.41Å; D357-K361 PolarHBondContact O-N 3.27Å
358A93.6Very high87.1Confident10 Ų1068.4 Ų68.48%0.08332%0.324CS..Hα-helixtrans-64.1-48.1175.300000112.6L81 M115 L118 E354 Y355 A356 L360 K361 L362L81-A358 HydrophobicContact CD1-CB 3.92Å; M115-A358 HydrophobicContact CE-CB 4.37Å; M115-A358 HydrophobicContact SD-CB 4.21Å; L118-A358 HydrophobicContact CD2-CB 3.51Å; E354-A358 WeakPolarHBondContact O-CB 3.37Å; E354-A358 PolarHBondContact O-N 2.99Å; Y355-A358 PolarHBondContact O-N 3.43Å; A356-A358 VanDerWaalsContact C-N 3.29Å; A356-A358 PolarHBondContact O-N 3.28Å; A358-L360 VanDerWaalsContact C-N 3.32Å; A358-L360 PolarHBondContact O-N 3.37Å; A358-K361 WeakPolarHBondContact O-CB 3.43Å; A358-K361 PolarHBondContact O-N 2.84Å; A358-L362 PolarHBondContact O-N 3.36Å
359L94.3Very high86Confident0 Ų066 Ų660%032%0.32CS..Hα-helixtrans-65.7-35.7176.6-65.6-179.6000112.1L118 Q317 L320 V347 Y351 Y355 A356 K361 L362 L363L118-L359 HydrophobicContact CD1-CD2 4.32Å; L118-L359 HydrophobicContact CD2-CD2 4.43Å; Q317-L359 HydrophobicContact CB-CD2 4.42Å; Q317-L359 HydrophobicContact CG-CD2 4.2Å; L320-L359 HydrophobicContact CD1-CD2 4.4Å; V347-L359 HydrophobicContact CG1-CB 4.04Å; V347-L359 HydrophobicContact CG1-CD1 4.42Å; Y351-L359 HydrophobicContact CD1-CD1 3.52Å; Y351-L359 HydrophobicContact CD2-CD1 4.07Å; Y351-L359 HydrophobicContact CE1-CD1 3.55Å; Y351-L359 HydrophobicContact CE2-CD1 4.17Å; Y351-L359 HydrophobicContact CG-CD1 3.77Å; Y355-L359 HydrophobicContact CD2-CG 4.43Å; Y355-L359 HydrophobicContact CE1-CD1 4.28Å; Y355-L359 HydrophobicContact CE2-CD1 3.95Å; Y355-L359 HydrophobicContact CE2-CD2 4.26Å; Y355-L359 HydrophobicContact CE2-CG 4.03Å; Y355-L359 WeakPolarHBondContact O-CG 3.34Å; Y355-L359 PolarHBondContact O-N 3.48Å; Y355-L359 VanDerWaalsContact O-N 3.13Å; A356-L359 PolarHBondContact O-N 2.77Å; L359-K361 VanDerWaalsContact C-N 3.31Å; L359-K361 PolarHBondContact O-N 2.59Å; L359-L362 WeakPolarHBondContact O-CB 3.39Å; L359-L362 PolarHBondContact O-N 2.58Å; L359-L363 PolarHBondContact O-N 3.37Å
360L94.5Very high84.9Confident13 Ų1366.6 Ų66.67%0.06833%0.331CS..Hα-helixtrans-69-31.7174.8-69.3168.1000112.1S344 V347 K348 A356 D357 A358 L362 L363 K364S344-L360 WeakPolarHBondContact O-CD2 2.92Å; V347-L360 HydrophobicContact CG1-CD2 4.25Å; K348-L360 HydrophobicContact CD-CD1 4.1Å; K348-L360 HydrophobicContact CD-CD2 4.29Å; K348-L360 HydrophobicContact CG-CD1 3.52Å; K348-L360 HydrophobicContact CG-CD2 3.82Å; K348-L360 HydrophobicContact CG-CG 4.2Å; A356-L360 VanDerWaalsContact O-CB 3.32Å; A356-L360 WeakPolarHBondContact O-CB 3.23Å; A356-L360 WeakPolarHBondContact O-CD1 3.44Å; A356-L360 WeakPolarHBondContact O-CG 3.38Å; A356-L360 PolarHBondContact O-N 3.16Å; D357-L360 PolarHBondContact O-N 3.47Å; A358-L360 VanDerWaalsContact C-N 3.32Å; A358-L360 PolarHBondContact O-N 3.37Å; L360-L362 VanDerWaalsContact C-N 3.32Å; L360-L363 CarbonylContact O-C 3.54Å; L360-L363 PolarHBondContact O-N 3.16Å; L360-K364 WeakPolarHBondContact O-CG 3.4Å; L360-K364 PolarHBondContact O-N 3Å
361K92.6Very high83.9Confident61 Ų6169.4 Ų69.427%0.26535%0.345SS..Hα-helixtrans-61.5-43.6172-166-175.3-179.3-167.40110.9N78 L81 D357 A358 L359 L363 K364N78-K361 VanDerWaalsContact CA-NZ 3.34Å; N78-K361 VanDerWaalsContact CG-NZ 3.26Å; N78-K361 PolarHBondContact O-NZ 3.06Å; N78-K361 PolarHBondContact OD1-NZ 3.38Å; L81-K361 HydrophobicContact CD1-CD 4.29Å; D357-K361 WeakPolarHBondContact O-CB 3.41Å; D357-K361 PolarHBondContact O-N 3.27Å; A358-K361 WeakPolarHBondContact O-CB 3.43Å; A358-K361 PolarHBondContact O-N 2.84Å; L359-K361 VanDerWaalsContact C-N 3.31Å; L359-K361 PolarHBondContact O-N 2.59Å; K361-L363 PolarHBondContact O-N 2.85Å; K361-K364 PolarHBondContact O-N 3.39Å; K361-K364 VanDerWaalsContact O-N 3.13Å
362L91.5Very high83Confident5 Ų570.6 Ų70.63%0.02635%0.35CS..Hα-helixtrans-60-32.9174.4-172.365.2000112.7K49 I50 L320 L321 L328 A358 L359 L360K49-L362 WeakPolarHBondContact CB-O 3.5Å; K49-L362 WeakPolarHBondContact CG-O 3.32Å; I50-L362 HydrophobicContact CD1-CD1 3.59Å; I50-L362 HydrophobicContact CG1-CD1 4.08Å; L320-L362 HydrophobicContact CB-CD2 3.71Å; L321-L362 HydrophobicContact CD2-CD2 3.92Å; L328-L362 HydrophobicContact CD2-CD2 4.48Å; L328-L362 HydrophobicContact CD2-CG 4.18Å; A358-L362 PolarHBondContact O-N 3.36Å; L359-L362 WeakPolarHBondContact O-CB 3.39Å; L359-L362 PolarHBondContact O-N 2.58Å; L360-L362 VanDerWaalsContact C-N 3.32Å
363L92.8Very high81.5Confident9 Ų968.2 Ų68.25%0.04735%0.345CS..Hα-helixtrans-85.9-11.7177.9-69174.4000114K49 L320 L328 L343 V347 L359 L360 K361K49-L363 VanDerWaalsContact CE-O 3.27Å; K49-L363 WeakPolarHBondContact CE-O 3.42Å; K49-L363 PolarHBondContact NZ-O 3.1Å; L320-L363 HydrophobicContact CD2-CD2 4.16Å; L328-L363 HydrophobicContact CD1-CD2 4.14Å; L328-L363 HydrophobicContact CD2-CD2 4.02Å; L328-L363 HydrophobicContact CG-CD2 4.14Å; L343-L363 HydrophobicContact CD2-CD2 3.73Å; L343-L363 HydrophobicContact CG-CD1 4.11Å; L343-L363 HydrophobicContact CG-CD2 4.18Å; V347-L363 HydrophobicContact CB-CD1 4.15Å; V347-L363 HydrophobicContact CG1-CD1 4.38Å; V347-L363 HydrophobicContact CG2-CD1 3.84Å; L359-L363 PolarHBondContact O-N 3.37Å; L360-L363 CarbonylContact O-C 3.54Å; L360-L363 PolarHBondContact O-N 3.16Å; K361-L363 PolarHBondContact O-N 2.85Å
364K87.2Confident80Confident142 Ų14273.1 Ų73.162%0.61735%0.347SS*.SBendtrans-73.1142.4173.7-77.6169.5-172.4176.30109.5L360 K361 E366L360-K364 WeakPolarHBondContact O-CG 3.4Å; L360-K364 PolarHBondContact O-N 3Å; K361-K364 PolarHBondContact O-N 3.39Å; K361-K364 VanDerWaalsContact O-N 3.13Å; K364-E366 PolarHBondContact O-N 3.01Å
365K67.5Low78.3Confident117 Ų11770.3 Ų70.351%0.50934%0.343SS..  trans-80.1114.5174.8180173.8-174.7164.30108.7H329 I368H329-K365 PolarHBondContact NE2-NZ 3.12Å; K365-I368 HydrophobicContact CG-CD1 4.38Å; K365-I368 HydrophobicContact CG-CG1 4.37Å
366E63.5Low76.7Confident112 Ų11270.7 Ų70.752%0.52335%0.345SS..  trans-77.4157.7156.8-66.1-171169.600109K364 I368K364-E366 PolarHBondContact O-N 3.01Å; E366-I368 WeakPolarHBondContact O-CG1 2.95Å; E366-I368 PolarHBondContact O-N 3.04Å
367E66.3Low74.9Confident200 Ų20074.7 Ų74.794%0.93537%0.371SS*.  trans-56.6109.9178-69.4179.9169.400110.1
368I66.9Low73.2Confident21 Ų2174.6 Ų74.611%0.10837%0.37CS..  trans-88136.3-179.2-54.3177.9000108.3E47 P48 H329 K365 E366 Y372E47-I368 HydrophobicContact CB-CD1 4.42Å; P48-I368 WeakPolarHBondContact O-CD1 3.14Å; H329-I368 HydrophobicContact CB-CD1 4.38Å; K365-I368 HydrophobicContact CG-CD1 4.38Å; K365-I368 HydrophobicContact CG-CG1 4.37Å; E366-I368 WeakPolarHBondContact O-CG1 2.95Å; E366-I368 PolarHBondContact O-N 3.04Å; I368-Y372 HydrophobicContact CG2-CD1 4.44Å; I368-Y372 HydrophobicContact CG2-CD2 3.18Å; I368-Y372 HydrophobicContact CG2-CE2 3.92Å; I368-Y372 HydrophobicContact CG2-CG 3.47Å; I368-Y372 VanDerWaalsContact CG2-CG 3.47Å
369P70.3Confident71.4Confident63 Ų6380.1 Ų80.141%0.40941%0.405SS..  trans-50.9147.1177.5-28.735.3000113.8I371 Y372P369-I371 HydrophobicContact CB-CG1 4.14Å; P369-I371 PolarHBondContact O-N 3.27Å; P369-Y372 HydrophobicContact CB-CD2 4.29Å; P369-Y372 WeakPolarHBondContact O-CD2 3.19Å; P369-Y372 PolarHBondContact O-N 2.89Å
370D70.4Confident69.7Low117 Ų11782.2 Ų82.263%0.62642%0.416SS*.G310 helixtrans-53.6-25.6-174.7-68.9-17.5000114.7Y372 Q373D370-Y372 PolarHBondContact O-N 3.05Å; D370-Y372 VanDerWaalsContact O-N 3.07Å; D370-Q373 WeakPolarHBondContact O-CB 3.3Å; D370-Q373 PolarHBondContact O-N 3.4Å; D370-Q373 PolarHBondContact OD1-NE2 2.88Å
371I70.5Confident68.1Low93 Ų9383.4 Ų83.448%0.47743%0.425SS..G310 helixtrans-56.9-25.3177.562.1173.6000113.1P369P369-I371 HydrophobicContact CB-CG1 4.14Å; P369-I371 PolarHBondContact O-N 3.27Å
372Y71.2Confident66.8Low32 Ų3286 Ų8613%0.12545%0.448CS..G310 helixtrans-90.5-8179.2-66.3-79.1000113.4L45 H46 P48 V51 I368 P369 D370 R374L45-Y372 HydrophobicContact CB-CD1 4.14Å; L45-Y372 HydrophobicContact CB-CE1 4.33Å; L45-Y372 HydrophobicContact CD1-CD1 4.34Å; L45-Y372 HydrophobicContact CD1-CE1 4.27Å; H46-Y372 WeakPolarHBondContact O-CD1 3.41Å; H46-Y372 WeakPolarHBondContact O-CE1 3.5Å; P48-Y372 VanDerWaalsContact CD-CE1 3.4Å; P48-Y372 HydrophobicContact CG-CE1 4.08Å; V51-Y372 HydrophobicContact CG2-CE2 4.27Å; I368-Y372 HydrophobicContact CG2-CD1 4.44Å; I368-Y372 HydrophobicContact CG2-CD2 3.18Å; I368-Y372 HydrophobicContact CG2-CE2 3.92Å; I368-Y372 HydrophobicContact CG2-CG 3.47Å; I368-Y372 VanDerWaalsContact CG2-CG 3.47Å; P369-Y372 HydrophobicContact CB-CD2 4.29Å; P369-Y372 WeakPolarHBondContact O-CD2 3.19Å; P369-Y372 PolarHBondContact O-N 2.89Å; D370-Y372 PolarHBondContact O-N 3.05Å; D370-Y372 VanDerWaalsContact O-N 3.07Å; Y372-R374 VanDerWaalsContact C-N 3.25Å; Y372-R374 PolarHBondContact O-N 3.12Å
373Q59.1Low65.9Low127 Ų12786.8 Ų86.859%0.59345%0.452SS*.  trans-73.7-15-177.9-68.3175.43.400113.5D370 S375D370-Q373 WeakPolarHBondContact O-CB 3.3Å; D370-Q373 PolarHBondContact O-N 3.4Å; D370-Q373 PolarHBondContact OD1-NE2 2.88Å; Q373-S375 PolarHBondContact O-N 3.01Å
374R59.1Low64.7Low157 Ų15787.4 Ų87.459%0.59246%0.455SS*.SBendtrans-80.189.5172.5-71.2-177.9178.4173.90.2109.4K207 G208 Y372K207-R374 PolarHBondContact O-NH1 3.15Å; G208-R374 VanDerWaalsContact O-CD 3.29Å; G208-R374 WeakPolarHBondContact O-CD 3.45Å; G208-R374 PolarHBondContact O-NH1 3.31Å; Y372-R374 VanDerWaalsContact C-N 3.25Å; Y372-R374 PolarHBondContact O-N 3.12Å
375S55.1Low63.5Low81 Ų8187.9 Ų87.957%0.56646%0.459SS*.PPolyproline II helixtrans-71.7149-171.535.30000113.9Q373Q373-S375 PolarHBondContact O-N 3.01Å
376I56.8Low62.9Low12 Ų1284.5 Ų84.56%0.06245%0.453CS..PPolyproline II helixtrans-58.6128165.2-62.8165000108.1I44 H46 T330 L378 L380I44-I376 HydrophobicContact CB-CG1 4.4Å; I44-I376 HydrophobicContact CG2-CG1 3.67Å; H46-I376 WeakPolarHBondContact ND1-CD1 3.33Å; T330-I376 HydrophobicContact CG2-CD1 3.86Å; I376-L378 PolarHBondContact O-N 2.9Å; I376-L380 HydrophobicContact CG2-CD1 3.93Å; I376-L380 HydrophobicContact CG2-CD2 3.64Å; I376-L380 HydrophobicContact CG2-CG 4.03Å
377P55.9Low61.6Low92 Ų9284.9 Ų84.960%0.59746%0.457SS*.PPolyproline II helixtrans-60.2123.4178-18.829.7000110.4
378L58.3Low60.1Low103 Ų10383.3 Ų83.354%0.53945%0.45SS..SBendtrans-90.1148.9167.3-71.7168.2000109.2M334 I376M334-L378 HydrophobicContact CE-CD2 3.47Å; M334-L378 VanDerWaalsContact CE-CD2 3.47Å; M334-L378 HydrophobicContact SD-CD2 3.76Å; I376-L378 PolarHBondContact O-N 2.9Å
379P55.2Low58.5Low126 Ų12691.4 Ų91.482%0.81850%0.504SS*.SBendcis-83.4142.4-2.632.8-31.8000112
380L58.9Low58Low43 Ų4392.8 Ų92.823%0.22551%0.508CS..PPolyproline II helixtrans-78.9157.5169-71.2177.8000110.8N293 M334 I376N293-L380 WeakPolarHBondContact ND2-CB 3.47Å; N293-L380 VanDerWaalsContact OD1-CD1 3.24Å; N293-L380 WeakPolarHBondContact OD1-CD1 3.09Å; M334-L380 HydrophobicContact CE-CD1 3.3Å; M334-L380 HydrophobicContact CE-CG 4.03Å; M334-L380 HydrophobicContact SD-CD1 3.8Å; M334-L380 HydrophobicContact SD-CG 4.43Å; I376-L380 HydrophobicContact CG2-CD1 3.93Å; I376-L380 HydrophobicContact CG2-CD2 3.64Å; I376-L380 HydrophobicContact CG2-CG 4.03Å
381P61.4Low57.3Low39 Ų3991.5 Ų91.525%0.25350%0.502SS..PPolyproline II helixtrans-57144.9-178.7-22.933000112.6I292 N293I292-P381 HydrophobicContact CG2-CB 4.05Å; I292-P381 HydrophobicContact CG2-CG 4.08Å; N293-P381 PolarHBondContact ND2-O 3.06Å
382P64.6Low56.6Low116 Ų11691.4 Ų91.475%0.75350%0.504SS*.PPolyproline II helixtrans-61.3151.2172.427.8-34.1000110.5
383L72.3Confident55.7Low21 Ų2194.9 Ų94.911%0.1153%0.526CS..PPolyproline II helixtrans-85.8156.2174.6-64.6-173.9000110.6N289 N293 M296N289-L383 HydrophobicContact CB-CD1 4.37Å; N289-L383 HydrophobicContact CB-CD2 3.86Å; N293-L383 HydrophobicContact CB-CD2 3.9Å; M296-L383 HydrophobicContact CB-CD1 3.99Å; M296-L383 HydrophobicContact CB-CD2 4.4Å; M296-L383 HydrophobicContact CB-CG 4.19Å; M296-L383 HydrophobicContact CG-CD1 3.55Å; M296-L383 HydrophobicContact CG-CD2 4.39Å; M296-L383 HydrophobicContact CG-CG 3.68Å
384L68.3Low55.5Low22 Ų2292.9 Ų92.912%0.11552%0.522CS..PPolyproline II helixtrans-71.6144.3165.1-58.1172.3000109.4G269 L272 E273 V285 Y288 N289 A386G269-L384 VanDerWaalsContact CA-CD1 3.4Å; L272-L384 HydrophobicContact CB-CD1 4.49Å; L272-L384 HydrophobicContact CD1-CD1 4.34Å; E273-L384 HydrophobicContact CG-CD2 4.27Å; E273-L384 WeakPolarHBondContact OE1-CB 3.44Å; E273-L384 VanDerWaalsContact OE1-CD2 3.24Å; E273-L384 WeakPolarHBondContact OE1-CD2 3.33Å; V285-L384 HydrophobicContact CG1-CB 4.01Å; V285-L384 HydrophobicContact CG2-CD1 4.5Å; Y288-L384 HydrophobicContact CD1-CD1 3.37Å; Y288-L384 HydrophobicContact CD1-CG 3.74Å; Y288-L384 HydrophobicContact CD2-CD1 4.29Å; Y288-L384 HydrophobicContact CE1-CD1 3.66Å; Y288-L384 HydrophobicContact CE1-CD2 4.41Å; Y288-L384 HydrophobicContact CE1-CG 3.67Å; Y288-L384 HydrophobicContact CG-CD1 3.75Å; N289-L384 PolarHBondContact ND2-O 2.83Å; N289-L384 PolarHBondContact OD1-N 3.33Å; L384-A386 PolarHBondContact O-N 3.15Å
385H62.2Low55.2Low151 Ų15188.7 Ų88.770%0.69952%0.517SS*.PPolyproline II helixtrans-76.2121.3172.3-70-83.9000108I387H385-I387 PolarHBondContact O-N 3.03Å
386A53.5Low55.2Low46 Ų4689.2 Ų89.238%0.3851%0.513SS..PPolyproline II helixtrans-68.6125.1160.700000106.3V285 L384 E388V285-A386 HydrophobicContact CG1-CB 4.27Å; L384-A386 PolarHBondContact O-N 3.15Å; A386-E388 PolarHBondContact O-N 2.71Å
387I36.8Very low55.1Low120 Ų12095.2 Ų95.262%0.61555%0.548SS*.PPolyproline II helixtrans-61.2124.8171.3-58.2173.4000106H385H385-I387 PolarHBondContact O-N 3.03Å
388E36.1Very low55.1Low168 Ų16895.4 Ų95.479%0.78554%0.544SS*.PPolyproline II helixtrans-51.2144.8175.4-73.4178.9166.700110.1A386A386-E388 PolarHBondContact O-N 2.71Å
389P33.2Very low54.8Low190 Ų19094.7 Ų94.7100%1.23454%0.544SS*.  trans-56.10-177.623.6-33.5000114

Retrieved 389 of 389 residues in 406.3 ms (Link to these results)

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