G4VA79_SCHMA Loading...

Protein HGH1 homolog

AlphaFold DB , UniProt , Accession G4VA79, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 362 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
1M59.2Low83.9Confident188 Ų18863.7 Ų63.793%0.92636%0.356SS*.  0-61.20-75.4-166.3-90.600112.7Q3 T4 H5M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 2.98Å; M1-T4 PolarHBondContact O-N 3.44Å; M1-T4 PolarHBondContact O-OG1 3.02Å; M1-H5 PolarHBondContact O-CD2 3.47Å; M1-H5 PolarHBondContact O-N 2.94Å; M1-H5 VanDerWaalsContact O-N 3.09Å
2A75.1Confident84.4Confident76 Ų7671.8 Ų71.863%0.62839%0.385SS*.Hα-helixtrans-57.4-40-177.600000114Q6A2-Q6 WeakPolarHBondContact O-CG 3.15Å; A2-Q6 PolarHBondContact O-N 3.19Å
3Q82.1Confident84.6Confident73 Ų7370.2 Ų70.234%0.34138%0.379SS..Hα-helixtrans-72.9-41.1-179.6-169163.6-3.500113.4M1 H5 Q6 L7 E48M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 2.98Å; Q3-H5 VanDerWaalsContact C-N 3.34Å; Q3-H5 PolarHBondContact O-N 3.41Å; Q3-Q6 PolarHBondContact O-N 3.46Å; Q3-L7 HydrophobicContact CG-CD1 4.4Å; Q3-L7 WeakPolarHBondContact O-CG 3.47Å; Q3-L7 PolarHBondContact O-N 3Å; Q3-E48 HydrophobicContact CG-CG 4.33Å; Q3-E48 PolarHBondContact NE2-OE1 3.43Å; Q3-E48 PolarHBondContact OE1-OE1 3.22Å
4T86.5Confident84.7Confident20 Ų2066.5 Ų66.512%0.12336%0.36CS..Hα-helixtrans-64.9-36.7176.150.20000112M1 L7 S8 E47 E48M1-T4 PolarHBondContact O-N 3.44Å; M1-T4 PolarHBondContact O-OG1 3.02Å; T4-L7 PolarHBondContact O-N 3.13Å; T4-S8 VanDerWaalsContact O-CB 3.31Å; T4-S8 WeakPolarHBondContact O-CB 3.49Å; T4-S8 PolarHBondContact O-N 2.71Å; T4-S8 PolarHBondContact O-OG 3.27Å; T4-E47 HydrophobicContact CG2-CG 4.5Å; T4-E48 HydrophobicContact CG2-CB 4.12Å
5H88.8Confident84.8Confident127 Ų12766.2 Ų66.259%0.58837%0.37SS*.Hα-helixtrans-63.8-43172.3-72.9-59.9000112.5M1 Q3 S8 A9M1-H5 PolarHBondContact O-CD2 3.47Å; M1-H5 PolarHBondContact O-N 2.94Å; M1-H5 VanDerWaalsContact O-N 3.09Å; Q3-H5 VanDerWaalsContact C-N 3.34Å; Q3-H5 PolarHBondContact O-N 3.41Å; H5-S8 PolarHBondContact O-N 2.97Å; H5-A9 WeakPolarHBondContact O-CB 3.01Å; H5-A9 PolarHBondContact O-N 3.14Å
6Q88Confident84.8Confident81 Ų8166 Ų6638%0.37938%0.38SS..Hα-helixtrans-63-45.3176.3-74.8178.6-3.400112A2 Q3 A9 L10A2-Q6 WeakPolarHBondContact O-CG 3.15Å; A2-Q6 PolarHBondContact O-N 3.19Å; Q3-Q6 PolarHBondContact O-N 3.46Å; Q6-A9 PolarHBondContact O-N 3.49Å; Q6-L10 WeakPolarHBondContact O-CB 3.49Å; Q6-L10 PolarHBondContact O-N 3.47Å
7L88.1Confident84.3Confident4 Ų472.8 Ų72.82%0.02140%0.404CS..Hα-helixtrans-65.4-38.4177-69.1171.7000112Q3 T4 A9 L10 L11 V32 E48 L51 S52 C55Q3-L7 HydrophobicContact CG-CD1 4.4Å; Q3-L7 WeakPolarHBondContact O-CG 3.47Å; Q3-L7 PolarHBondContact O-N 3Å; T4-L7 PolarHBondContact O-N 3.13Å; L7-A9 VanDerWaalsContact C-N 3.34Å; L7-A9 PolarHBondContact O-N 3.04Å; L7-L10 PolarHBondContact O-N 3.31Å; L7-L11 WeakPolarHBondContact O-CB 3.45Å; L7-L11 PolarHBondContact O-N 3.18Å; L7-V32 HydrophobicContact CD2-CG2 3.62Å; L7-E48 HydrophobicContact CD1-CG 3.68Å; L7-L51 HydrophobicContact CB-CB 3.98Å; L7-L51 HydrophobicContact CB-CD1 4.26Å; L7-L51 HydrophobicContact CD1-CB 4.3Å; L7-S52 WeakPolarHBondContact CD1-OG 3.42Å; L7-C55 PolarHBondContact O-SG 3.46Å
8S90.2Very high83.9Confident39 Ų3974.4 Ų74.427%0.27341%0.41SS..Hα-helixtrans-64.1-39.1175.1-63.20000112.1T4 H5 K12T4-S8 VanDerWaalsContact O-CB 3.31Å; T4-S8 WeakPolarHBondContact O-CB 3.49Å; T4-S8 PolarHBondContact O-N 2.71Å; T4-S8 PolarHBondContact O-OG 3.27Å; H5-S8 PolarHBondContact O-N 2.97Å; S8-K12 WeakPolarHBondContact O-CG 3.41Å; S8-K12 PolarHBondContact O-N 3.22Å
9A88.7Confident83.5Confident51 Ų5178.9 Ų78.942%0.42143%0.434SS..Hα-helixtrans-66.2-46.8174.100000111.2H5 Q6 L7 L11 K12 V13H5-A9 WeakPolarHBondContact O-CB 3.01Å; H5-A9 PolarHBondContact O-N 3.14Å; Q6-A9 PolarHBondContact O-N 3.49Å; L7-A9 VanDerWaalsContact C-N 3.34Å; L7-A9 PolarHBondContact O-N 3.04Å; A9-L11 VanDerWaalsContact C-N 3.31Å; A9-L11 PolarHBondContact O-N 3.22Å; A9-K12 WeakPolarHBondContact O-CB 3.46Å; A9-K12 PolarHBondContact O-N 3.42Å; A9-K12 VanDerWaalsContact O-N 3.16Å; A9-V13 WeakPolarHBondContact O-CG2 3.27Å; A9-V13 PolarHBondContact O-N 3.23Å; A9-V13 VanDerWaalsContact O-N 3.1Å
10L86.7Confident83.3Confident6 Ų676.5 Ų76.53%0.03142%0.421CS..Hα-helixtrans-58.1-43.9175.7179.366.7000111.7Q6 L7 K12 V13 T14 Y28 C55Q6-L10 WeakPolarHBondContact O-CB 3.49Å; Q6-L10 PolarHBondContact O-N 3.47Å; L7-L10 PolarHBondContact O-N 3.31Å; L10-K12 VanDerWaalsContact C-N 3.27Å; L10-K12 PolarHBondContact O-N 3.41Å; L10-V13 PolarHBondContact O-N 2.89Å; L10-V13 VanDerWaalsContact O-N 3.11Å; L10-T14 HydrophobicContact CD1-CG2 3.86Å; L10-T14 HydrophobicContact CG-CG2 4.12Å; L10-T14 WeakPolarHBondContact O-CG2 3.49Å; L10-T14 PolarHBondContact O-N 2.92Å; L10-T14 PolarHBondContact O-OG1 3.18Å; L10-Y28 HydrophobicContact CD1-CD2 3.75Å; L10-Y28 HydrophobicContact CD1-CE2 4.18Å; L10-Y28 HydrophobicContact CD1-CG 3.98Å; L10-Y28 HydrophobicContact CD2-CD1 3.91Å; L10-Y28 HydrophobicContact CD2-CD2 4.35Å; L10-Y28 HydrophobicContact CD2-CG 3.7Å; L10-Y28 HydrophobicContact CG-CG 4.36Å; L10-C55 HydrophobicContact CD2-CB 4.11Å
11L89.4Confident83.4Confident36 Ų3680.1 Ų80.119%0.18844%0.435CS..Hα-helixtrans-57.7-40.8177.8-178.760.5000111.8L7 A9 T14 A15 L51 K54 N58L7-L11 WeakPolarHBondContact O-CB 3.45Å; L7-L11 PolarHBondContact O-N 3.18Å; A9-L11 VanDerWaalsContact C-N 3.31Å; A9-L11 PolarHBondContact O-N 3.22Å; L11-T14 PolarHBondContact O-OG1 2.79Å; L11-A15 WeakPolarHBondContact O-CB 3.49Å; L11-A15 PolarHBondContact O-N 3.24Å; L11-L51 HydrophobicContact CD2-CD2 3.9Å; L11-K54 HydrophobicContact CD1-CB 3.71Å; L11-K54 HydrophobicContact CD2-CB 4.15Å; L11-K54 HydrophobicContact CD2-CD 4.2Å; L11-N58 WeakPolarHBondContact CD1-ND2 3.23Å
12K89.7Confident84.8Confident160 Ų16074.7 Ų74.770%0.69641%0.41SS*.Hα-helixtrans-64.5-43.2175.3-69.2176.7-178.1-176.10111.7S8 A9 L10 A16S8-K12 WeakPolarHBondContact O-CG 3.41Å; S8-K12 PolarHBondContact O-N 3.22Å; A9-K12 WeakPolarHBondContact O-CB 3.46Å; A9-K12 PolarHBondContact O-N 3.42Å; A9-K12 VanDerWaalsContact O-N 3.16Å; L10-K12 VanDerWaalsContact C-N 3.27Å; L10-K12 PolarHBondContact O-N 3.41Å; K12-A16 WeakPolarHBondContact O-CB 3.35Å; K12-A16 PolarHBondContact O-N 3.26Å
13V86.6Confident85.4Confident52 Ų5279.2 Ų79.232%0.31542%0.416SS..Hα-helixtrans-63.6-48.3178.8174.70000111A9 L10 A16 K17 I18 V20A9-V13 WeakPolarHBondContact O-CG2 3.27Å; A9-V13 PolarHBondContact O-N 3.23Å; A9-V13 VanDerWaalsContact O-N 3.1Å; L10-V13 PolarHBondContact O-N 2.89Å; L10-V13 VanDerWaalsContact O-N 3.11Å; V13-A16 PolarHBondContact O-N 3.03Å; V13-K17 PolarHBondContact O-N 3.4Å; V13-I18 HydrophobicContact CG1-CB 4.17Å; V13-I18 PolarHBondContact O-N 3.3Å; V13-V20 HydrophobicContact CG1-CG2 3.49Å; V13-V20 VanDerWaalsContact CG1-CG2 3.49Å
14T86Confident85.7Confident18 Ų1879.6 Ų79.611%0.1142%0.419CS..Hα-helixtrans-72.3-32.6-178.2610000112.4L10 L11 A16 K17 N58 I59L10-T14 HydrophobicContact CD1-CG2 3.86Å; L10-T14 HydrophobicContact CG-CG2 4.12Å; L10-T14 WeakPolarHBondContact O-CG2 3.49Å; L10-T14 PolarHBondContact O-N 2.92Å; L10-T14 PolarHBondContact O-OG1 3.18Å; L11-T14 PolarHBondContact O-OG1 2.79Å; T14-A16 VanDerWaalsContact C-N 3.31Å; T14-K17 PolarHBondContact O-N 2.99Å; T14-N58 WeakPolarHBondContact OG1-CB 3.4Å; T14-N58 PolarHBondContact OG1-ND2 3.49Å; T14-N58 VanDerWaalsContact OG1-ND2 3.17Å; T14-I59 HydrophobicContact CG2-CD1 4.27Å; T14-I59 HydrophobicContact CG2-CG1 3.76Å
15A86.7Confident85.8Confident62 Ų6279.4 Ų79.451%0.51242%0.417SS..Hα-helixtrans-67.2-33.3173.300000112.2L11 K17 N58L11-A15 WeakPolarHBondContact O-CB 3.49Å; L11-A15 PolarHBondContact O-N 3.24Å; A15-K17 PolarHBondContact O-N 3.05Å; A15-N58 WeakPolarHBondContact CA-ND2 3.39Å; A15-N58 PolarHBondContact N-ND2 3.28Å
16A84.1Confident85.9Confident63 Ų6377 Ų7752%0.52141%0.407SS..THydrogen-bonded Turntrans-76-2175.400000113.5K12 V13 T14 I18K12-A16 WeakPolarHBondContact O-CB 3.35Å; K12-A16 PolarHBondContact O-N 3.26Å; V13-A16 PolarHBondContact O-N 3.03Å; T14-A16 VanDerWaalsContact C-N 3.31Å; A16-I18 HydrophobicContact CB-CD1 3.8Å; A16-I18 HydrophobicContact CB-CG1 3.78Å; A16-I18 PolarHBondContact O-N 3.34Å; A16-I18 VanDerWaalsContact O-N 3.16Å
17K77.8Confident86Confident181 Ų18177.8 Ų77.879%0.78741%0.41SS*.THydrogen-bonded Turntrans51.134.7-175.8-58.7-178.3177.5-1790112.9V13 T14 A15V13-K17 PolarHBondContact O-N 3.4Å; T14-K17 PolarHBondContact O-N 2.99Å; A15-K17 PolarHBondContact O-N 3.05Å
18I75.8Confident86Confident102 Ų10279.9 Ų79.952%0.52342%0.418SS..  trans-72134.8174.9-63.9169.3000107.7V13 A16 V20V13-I18 HydrophobicContact CG1-CB 4.17Å; V13-I18 PolarHBondContact O-N 3.3Å; A16-I18 HydrophobicContact CB-CD1 3.8Å; A16-I18 HydrophobicContact CB-CG1 3.78Å; A16-I18 PolarHBondContact O-N 3.34Å; A16-I18 VanDerWaalsContact O-N 3.16Å; I18-V20 WeakPolarHBondContact O-CG2 3.36Å; I18-V20 PolarHBondContact O-N 3.3Å
19D77.5Confident86.1Confident160 Ų16078 Ų7886%0.85641%0.405SS*.  trans-61.6120.9173.8-73.8-29.3000110.1
20V78.9Confident86.2Confident31 Ų3179.3 Ų79.319%0.18841%0.405CS..  trans-113.4131.1178.7179.40000108.1V13 I18 D22 L24 L25V13-V20 HydrophobicContact CG1-CG2 3.49Å; V13-V20 VanDerWaalsContact CG1-CG2 3.49Å; I18-V20 WeakPolarHBondContact O-CG2 3.36Å; I18-V20 PolarHBondContact O-N 3.3Å; V20-D22 PolarHBondContact O-N 3.33Å; V20-L24 HydrophobicContact CG1-CB 4.01Å; V20-L24 HydrophobicContact CG1-CD2 3.98Å; V20-L24 HydrophobicContact CG1-CG 4.05Å; V20-L25 HydrophobicContact CG1-CB 4.21Å; V20-L25 HydrophobicContact CG1-CD1 4.47Å
21E86.1Confident86.3Confident152 Ų15281.5 Ų81.571%0.7141%0.414SS*.  trans-55.4137174.6-66-177.5-178.600111.7K23 L24 L25E21-K23 PolarHBondContact O-N 2.96Å; E21-K23 VanDerWaalsContact O-N 3.14Å; E21-L24 HydrophobicContact CB-CB 4.46Å; E21-L24 WeakPolarHBondContact O-CB 3.26Å; E21-L24 PolarHBondContact O-N 3.19Å; E21-L25 PolarHBondContact O-N 3.16Å
22D87.5Confident86.4Confident75 Ų7579.8 Ų79.840%0.40141%0.405SS..Hα-helixtrans-52.5-41.3-178.1-74.8-8.4000113V20 L24 L25 E26 Q64 L68V20-D22 PolarHBondContact O-N 3.33Å; D22-L24 VanDerWaalsContact C-N 3.32Å; D22-L24 PolarHBondContact O-N 2.91Å; D22-L25 PolarHBondContact O-N 2.99Å; D22-E26 VanDerWaalsContact O-CB 3.27Å; D22-E26 WeakPolarHBondContact O-CB 3.41Å; D22-E26 PolarHBondContact O-N 3.35Å; D22-Q64 PolarHBondContact OD1-NE2 3Å; D22-L68 HydrophobicContact CB-CD1 4.42Å; D22-L68 HydrophobicContact CB-CD2 4.27Å
23K88.9Confident86.4Confident171 Ų17173.2 Ų73.274%0.74338%0.378SS*.Hα-helixtrans-62-40.5178.6-69.5-177.8179.8175.60112.4E21 H27E21-K23 PolarHBondContact O-N 2.96Å; E21-K23 VanDerWaalsContact O-N 3.14Å; K23-H27 PolarHBondContact O-N 3.25Å; K23-H27 VanDerWaalsContact O-N 3.15Å
24L87Confident86.5Confident80 Ų8078.4 Ų78.442%0.41940%0.397SS..Hα-helixtrans-69.9-41.3177.9-177.258.9000110.1V20 E21 D22 H27 Y28V20-L24 HydrophobicContact CG1-CB 4.01Å; V20-L24 HydrophobicContact CG1-CD2 3.98Å; V20-L24 HydrophobicContact CG1-CG 4.05Å; E21-L24 HydrophobicContact CB-CB 4.46Å; E21-L24 WeakPolarHBondContact O-CB 3.26Å; E21-L24 PolarHBondContact O-N 3.19Å; D22-L24 VanDerWaalsContact C-N 3.32Å; D22-L24 PolarHBondContact O-N 2.91Å; L24-H27 WeakPolarHBondContact O-CB 3.49Å; L24-H27 PolarHBondContact O-N 2.8Å; L24-Y28 HydrophobicContact CD1-CD2 4.04Å; L24-Y28 HydrophobicContact CD1-CE2 3.47Å; L24-Y28 VanDerWaalsContact CD1-CE2 3.47Å; L24-Y28 HydrophobicContact CD2-CE2 4.38Å; L24-Y28 HydrophobicContact CG-CD2 4.06Å; L24-Y28 HydrophobicContact CG-CE2 3.74Å; L24-Y28 WeakPolarHBondContact O-CD2 3.09Å; L24-Y28 PolarHBondContact O-N 3.25Å
25L88.4Confident86.6Confident16 Ų1678.1 Ų78.18%0.08440%0.395CS..Hα-helixtrans-65-42.3177.5-16360.1000111.9V20 E21 D22 H27 Y28 L29 I59 L68V20-L25 HydrophobicContact CG1-CB 4.21Å; V20-L25 HydrophobicContact CG1-CD1 4.47Å; E21-L25 PolarHBondContact O-N 3.16Å; D22-L25 PolarHBondContact O-N 2.99Å; L25-H27 VanDerWaalsContact C-N 3.34Å; L25-H27 PolarHBondContact O-N 2.59Å; L25-Y28 PolarHBondContact O-N 3.11Å; L25-Y28 VanDerWaalsContact O-N 3.17Å; L25-L29 HydrophobicContact CG-CD1 4.29Å; L25-L29 HydrophobicContact CG-CG 4.47Å; L25-L29 WeakPolarHBondContact O-CB 3.04Å; L25-L29 WeakPolarHBondContact O-CG 3.16Å; L25-L29 PolarHBondContact O-N 2.91Å; L25-I59 HydrophobicContact CD1-CD1 3.64Å; L25-I59 HydrophobicContact CD1-CG1 3.89Å; L25-I59 HydrophobicContact CD1-CG2 4.4Å; L25-I59 HydrophobicContact CD2-CG2 4.01Å; L25-I59 HydrophobicContact CG-CG2 4.4Å; L25-L68 HydrophobicContact CD2-CD1 3.74Å; L25-L68 HydrophobicContact CG-CD1 4.46Å
26E90.9Very high86.6Confident78 Ų7875.1 Ų75.136%0.36437%0.37SS..Hα-helixtrans-59.2-43.1175.8-168.1-172.7165.500111.6D22 Y28 L29 N30 V72D22-E26 VanDerWaalsContact O-CB 3.27Å; D22-E26 WeakPolarHBondContact O-CB 3.41Å; D22-E26 PolarHBondContact O-N 3.35Å; E26-Y28 VanDerWaalsContact C-N 3.34Å; E26-Y28 PolarHBondContact O-N 2.93Å; E26-L29 PolarHBondContact O-N 3.23Å; E26-N30 WeakPolarHBondContact O-CB 3.35Å; E26-N30 PolarHBondContact O-N 3.06Å; E26-N30 PolarHBondContact O-ND2 3.05Å; E26-V72 HydrophobicContact CG-CG2 3.61Å
27H89.9Confident86.5Confident97 Ų9774.1 Ų74.145%0.44937%0.366SS..Hα-helixtrans-59-44.2174.5173.571.1000112.2K23 L24 L25 K31K23-H27 PolarHBondContact O-N 3.25Å; K23-H27 VanDerWaalsContact O-N 3.15Å; L24-H27 WeakPolarHBondContact O-CB 3.49Å; L24-H27 PolarHBondContact O-N 2.8Å; L25-H27 VanDerWaalsContact C-N 3.34Å; L25-H27 PolarHBondContact O-N 2.59Å; H27-K31 WeakPolarHBondContact NE2-CE 3.35Å; H27-K31 PolarHBondContact NE2-NZ 3.04Å; H27-K31 PolarHBondContact O-N 3.31Å
28Y88.5Confident86.1Confident47 Ų4768.5 Ų68.518%0.18435%0.349CS..Hα-helixtrans-71.8-38.4177.5-75.9-63.4000113L10 L24 L25 E26 N30 K31 V32L10-Y28 HydrophobicContact CD1-CD2 3.75Å; L10-Y28 HydrophobicContact CD1-CE2 4.18Å; L10-Y28 HydrophobicContact CD1-CG 3.98Å; L10-Y28 HydrophobicContact CD2-CD1 3.91Å; L10-Y28 HydrophobicContact CD2-CD2 4.35Å; L10-Y28 HydrophobicContact CD2-CG 3.7Å; L10-Y28 HydrophobicContact CG-CG 4.36Å; L24-Y28 HydrophobicContact CD1-CD2 4.04Å; L24-Y28 HydrophobicContact CD1-CE2 3.47Å; L24-Y28 VanDerWaalsContact CD1-CE2 3.47Å; L24-Y28 HydrophobicContact CD2-CE2 4.38Å; L24-Y28 HydrophobicContact CG-CD2 4.06Å; L24-Y28 HydrophobicContact CG-CE2 3.74Å; L24-Y28 WeakPolarHBondContact O-CD2 3.09Å; L24-Y28 PolarHBondContact O-N 3.25Å; L25-Y28 PolarHBondContact O-N 3.11Å; L25-Y28 VanDerWaalsContact O-N 3.17Å; E26-Y28 VanDerWaalsContact C-N 3.34Å; E26-Y28 PolarHBondContact O-N 2.93Å; Y28-N30 VanDerWaalsContact C-N 3.34Å; Y28-N30 PolarHBondContact O-N 3.36Å; Y28-K31 HydrophobicContact CD1-CD 4.44Å; Y28-K31 WeakPolarHBondContact O-CB 3.12Å; Y28-K31 PolarHBondContact O-N 3.31Å; Y28-K31 VanDerWaalsContact O-N 3.16Å; Y28-V32 WeakPolarHBondContact O-CG2 3.35Å; Y28-V32 PolarHBondContact O-N 3.19Å
29L92.9Very high85.5Confident0 Ų064.7 Ų64.70%033%0.332CS..Hα-helixtrans-60.2-43.5174.4-77173.6000111.2L25 E26 K31 V32 V33 L56 I59 L68 L69 V72L25-L29 HydrophobicContact CG-CD1 4.29Å; L25-L29 HydrophobicContact CG-CG 4.47Å; L25-L29 WeakPolarHBondContact O-CB 3.04Å; L25-L29 WeakPolarHBondContact O-CG 3.16Å; L25-L29 PolarHBondContact O-N 2.91Å; E26-L29 PolarHBondContact O-N 3.23Å; L29-K31 VanDerWaalsContact C-N 3.28Å; L29-K31 PolarHBondContact O-N 2.89Å; L29-V32 PolarHBondContact O-N 3.02Å; L29-V33 WeakPolarHBondContact O-CB 3.31Å; L29-V33 VanDerWaalsContact O-CG2 3.3Å; L29-V33 WeakPolarHBondContact O-CG2 3.39Å; L29-V33 PolarHBondContact O-N 2.62Å; L29-L56 HydrophobicContact CD2-CD2 3.42Å; L29-L56 VanDerWaalsContact CD2-CD2 3.42Å; L29-I59 HydrophobicContact CD2-CD1 4Å; L29-I59 HydrophobicContact CD2-CG2 4.14Å; L29-L68 HydrophobicContact CD1-CB 3.78Å; L29-L69 HydrophobicContact CD2-CD1 4.26Å; L29-V72 HydrophobicContact CB-CB 4.45Å; L29-V72 HydrophobicContact CB-CG1 4.35Å; L29-V72 HydrophobicContact CB-CG2 3.84Å; L29-V72 HydrophobicContact CD1-CG2 4.24Å
30N91.7Very high84.8Confident79 Ų7962 Ų6242%0.42232%0.318SS..Hα-helixtrans-56.8-41.7173.9-86-69.7000112.3E26 Y28 K34E26-N30 WeakPolarHBondContact O-CB 3.35Å; E26-N30 PolarHBondContact O-N 3.06Å; E26-N30 PolarHBondContact O-ND2 3.05Å; Y28-N30 VanDerWaalsContact C-N 3.34Å; Y28-N30 PolarHBondContact O-N 3.36Å; N30-K34 WeakPolarHBondContact O-CB 3.27Å; N30-K34 PolarHBondContact O-N 2.73Å; N30-K34 VanDerWaalsContact O-N 3.15Å
31K88.6Confident83.9Confident51 Ų5164 Ų6422%0.22233%0.327CS..Hα-helixtrans-64.5-49.9175.2-70.5178.4176.6178.60111.6H27 Y28 L29 K34 V35H27-K31 WeakPolarHBondContact NE2-CE 3.35Å; H27-K31 PolarHBondContact NE2-NZ 3.04Å; H27-K31 PolarHBondContact O-N 3.31Å; Y28-K31 HydrophobicContact CD1-CD 4.44Å; Y28-K31 WeakPolarHBondContact O-CB 3.12Å; Y28-K31 PolarHBondContact O-N 3.31Å; Y28-K31 VanDerWaalsContact O-N 3.16Å; L29-K31 VanDerWaalsContact C-N 3.28Å; L29-K31 PolarHBondContact O-N 2.89Å; K31-K34 WeakPolarHBondContact O-CB 3.24Å; K31-K34 PolarHBondContact O-N 2.72Å; K31-V35 WeakPolarHBondContact O-CG2 3.13Å; K31-V35 PolarHBondContact O-N 3.46Å; K31-V35 VanDerWaalsContact O-N 3.11Å
32V90.4Very high82.9Confident0 Ų061.1 Ų61.10%032%0.323CS..Hα-helixtrans-63.2-44.8-177.51650000111.7L7 Y28 L29 K34 V35 I36 L56L7-V32 HydrophobicContact CD2-CG2 3.62Å; Y28-V32 WeakPolarHBondContact O-CG2 3.35Å; Y28-V32 PolarHBondContact O-N 3.19Å; L29-V32 PolarHBondContact O-N 3.02Å; V32-K34 VanDerWaalsContact C-N 3.29Å; V32-K34 PolarHBondContact O-N 3.11Å; V32-V35 WeakPolarHBondContact O-CB 3.28Å; V32-V35 PolarHBondContact O-N 2.69Å; V32-V35 VanDerWaalsContact O-N 3.14Å; V32-I36 HydrophobicContact CG1-CD1 4Å; V32-I36 PolarHBondContact O-N 3.5Å; V32-L56 HydrophobicContact CG1-CD1 3.69Å; V32-L56 HydrophobicContact CG1-CD2 3.75Å; V32-L56 HydrophobicContact CG1-CG 3.42Å; V32-L56 VanDerWaalsContact CG1-CG 3.42Å
33V91.1Very high82Confident22 Ų2262.4 Ų62.413%0.13333%0.325CS..Hα-helixtrans-60.2-39.6175.5165.80000111.1L29 V35 I36 G37 L69 V72 L73 F82L29-V33 WeakPolarHBondContact O-CB 3.31Å; L29-V33 VanDerWaalsContact O-CG2 3.3Å; L29-V33 WeakPolarHBondContact O-CG2 3.39Å; L29-V33 PolarHBondContact O-N 2.62Å; V33-V35 VanDerWaalsContact C-N 3.33Å; V33-V35 PolarHBondContact O-N 2.83Å; V33-I36 PolarHBondContact O-N 3.16Å; V33-G37 PolarHBondContact O-N 3.2Å; V33-L69 HydrophobicContact CG2-CD1 3.52Å; V33-V72 HydrophobicContact CB-CG1 4.48Å; V33-V72 HydrophobicContact CG2-CG1 4.12Å; V33-L73 HydrophobicContact CG1-CD2 3.48Å; V33-L73 VanDerWaalsContact CG1-CD2 3.48Å; V33-L73 HydrophobicContact CG1-CG 4.29Å; V33-L73 HydrophobicContact CG2-CD1 4.49Å; V33-L73 HydrophobicContact CG2-CD2 4.33Å; V33-L73 HydrophobicContact CG2-CG 4.28Å; V33-F82 HydrophobicContact CG2-CE2 4.48Å
34K88.7Confident81.2Confident162 Ų16254.2 Ų54.270%0.70429%0.29SS*.Hα-helixtrans-63.8-37.6176.1-173.9178.5179.6179.40112.4N30 K31 V32 S38N30-K34 WeakPolarHBondContact O-CB 3.27Å; N30-K34 PolarHBondContact O-N 2.73Å; N30-K34 VanDerWaalsContact O-N 3.15Å; K31-K34 WeakPolarHBondContact O-CB 3.24Å; K31-K34 PolarHBondContact O-N 2.72Å; V32-K34 VanDerWaalsContact C-N 3.29Å; V32-K34 PolarHBondContact O-N 3.11Å; K34-S38 VanDerWaalsContact O-CB 3.3Å; K34-S38 WeakPolarHBondContact O-CB 3.49Å; K34-S38 PolarHBondContact O-N 3.07Å; K34-S38 PolarHBondContact O-OG 3.28Å
35V87.4Confident80.7Confident11 Ų1154.3 Ų54.37%0.06729%0.29CS..Hα-helixtrans-63.5-48.3174.4176.90000110.2K31 V32 V33 S38 S39 E48 F49K31-V35 WeakPolarHBondContact O-CG2 3.13Å; K31-V35 PolarHBondContact O-N 3.46Å; K31-V35 VanDerWaalsContact O-N 3.11Å; V32-V35 WeakPolarHBondContact O-CB 3.28Å; V32-V35 PolarHBondContact O-N 2.69Å; V32-V35 VanDerWaalsContact O-N 3.14Å; V33-V35 VanDerWaalsContact C-N 3.33Å; V33-V35 PolarHBondContact O-N 2.83Å; V35-S38 PolarHBondContact O-OG 2.72Å; V35-S39 PolarHBondContact O-OG 3.27Å; V35-E48 HydrophobicContact CG1-CG 4.19Å; V35-E48 HydrophobicContact CG2-CG 4.07Å; V35-E48 WeakPolarHBondContact CG2-OE1 3.39Å; V35-F49 HydrophobicContact CG1-CB 4.29Å; V35-F49 HydrophobicContact CG1-CD2 4.28Å
36I86.6Confident80.7Confident0 Ų056.6 Ų56.60%031%0.305CS..Hα-helixtrans-68.2-47.3-177.4-65.8168.8000111.4V32 V33 S38 S39 F49 V53 L56 F82 I85 L86V32-I36 HydrophobicContact CG1-CD1 4Å; V32-I36 PolarHBondContact O-N 3.5Å; V33-I36 PolarHBondContact O-N 3.16Å; I36-S38 VanDerWaalsContact C-N 3.27Å; I36-S38 PolarHBondContact O-N 3.45Å; I36-S39 WeakPolarHBondContact O-CB 3.42Å; I36-S39 PolarHBondContact O-N 3.05Å; I36-S39 PolarHBondContact O-OG 3.35Å; I36-F49 HydrophobicContact CB-CE2 4.25Å; I36-F49 HydrophobicContact CG1-CD2 4.4Å; I36-F49 HydrophobicContact CG1-CE2 3.97Å; I36-F49 HydrophobicContact CG1-CZ 4.4Å; I36-F49 HydrophobicContact CG2-CE2 4.3Å; I36-V53 HydrophobicContact CD1-CG2 4.46Å; I36-L56 HydrophobicContact CD1-CD1 3.34Å; I36-L56 HydrophobicContact CD1-CG 4.44Å; I36-F82 HydrophobicContact CB-CE2 4.12Å; I36-F82 HydrophobicContact CD1-CE2 3.93Å; I36-F82 HydrophobicContact CD1-CZ 4.42Å; I36-F82 HydrophobicContact CG2-CD2 3.94Å; I36-F82 HydrophobicContact CG2-CE2 3.73Å; I36-I85 HydrophobicContact CG2-CG2 4.13Å; I36-L86 HydrophobicContact CG2-CD2 4.29Å
37G81.4Confident80.7Confident41 Ų4158.9 Ų58.942%0.42332%0.316SS..Hα-helixtrans-69.2-16.4-178.100000115.2V33V33-G37 PolarHBondContact O-N 3.2Å
38S70.4Confident80.7Confident63 Ų6356.9 Ų56.944%0.44131%0.306SS..THydrogen-bonded Turntrans-96.77.317765.40000114.1K34 V35 I36 K43K34-S38 VanDerWaalsContact O-CB 3.3Å; K34-S38 WeakPolarHBondContact O-CB 3.49Å; K34-S38 PolarHBondContact O-N 3.07Å; K34-S38 PolarHBondContact O-OG 3.28Å; V35-S38 PolarHBondContact O-OG 2.72Å; I36-S38 VanDerWaalsContact C-N 3.27Å; I36-S38 PolarHBondContact O-N 3.45Å; S38-K43 PolarHBondContact O-NZ 3.13Å; S38-K43 VanDerWaalsContact O-NZ 3.14Å
39S62.2Low80.8Confident23 Ų2354.6 Ų54.616%0.16130%0.298CS..  trans-88.5110.2-174.8-64.80000111.5V35 I36 F49V35-S39 PolarHBondContact O-OG 3.27Å; I36-S39 WeakPolarHBondContact O-CB 3.42Å; I36-S39 PolarHBondContact O-N 3.05Å; I36-S39 PolarHBondContact O-OG 3.35Å; S39-F49 WeakPolarHBondContact OG-CD2 3.46Å; S39-F49 VanDerWaalsContact OG-CE2 3.28Å; S39-F49 WeakPolarHBondContact OG-CE2 3.39Å
40D64.3Low80.7Confident104 Ų10456.2 Ų56.256%0.55631%0.307SS*.  trans-69.5155146.9179.922.5000108.1S42 K43D40-S42 PolarHBondContact O-N 3.17Å; D40-S42 PolarHBondContact OD2-OG 3.42Å; D40-S42 VanDerWaalsContact OD2-OG 3.05Å; D40-K43 PolarHBondContact O-N 3.25Å
41L59.2Low80.7Confident73 Ų7353.3 Ų53.338%0.38229%0.291SS..G310 helixtrans-51.7-28.3-178-83.5110.6000112.4K43 A44 L89 N92L41-K43 VanDerWaalsContact C-N 3.25Å; L41-K43 PolarHBondContact O-N 2.98Å; L41-A44 WeakPolarHBondContact O-CB 3.43Å; L41-A44 PolarHBondContact O-N 2.9Å; L41-L89 HydrophobicContact CD2-CD2 4.2Å; L41-L89 HydrophobicContact CG-CD2 4.33Å; L41-N92 VanDerWaalsContact CD2-ND2 3.29Å; L41-N92 WeakPolarHBondContact CD2-ND2 3.42Å
42S65.7Low81Confident91 Ų9150.9 Ų50.964%0.63628%0.281SS*.G310 helixtrans-58.3-28173.857.50000114.7D40D40-S42 PolarHBondContact O-N 3.17Å; D40-S42 PolarHBondContact OD2-OG 3.42Å; D40-S42 VanDerWaalsContact OD2-OG 3.05Å
43K68Low81.1Confident101 Ų10150.9 Ų50.944%0.43928%0.281SS..G310 helixtrans-94.5-11-179.6-64.8-175.6-173.6168.10114.4S38 D40 L41 L45 T46S38-K43 PolarHBondContact O-NZ 3.13Å; S38-K43 VanDerWaalsContact O-NZ 3.14Å; D40-K43 PolarHBondContact O-N 3.25Å; L41-K43 VanDerWaalsContact C-N 3.25Å; L41-K43 PolarHBondContact O-N 2.98Å; K43-L45 PolarHBondContact O-N 2.99Å; K43-L45 VanDerWaalsContact O-N 3.07Å; K43-T46 WeakPolarHBondContact O-CB 3.36Å; K43-T46 WeakPolarHBondContact O-CG2 3.22Å; K43-T46 PolarHBondContact O-N 3.27Å; K43-T46 PolarHBondContact O-OG1 2.97Å
44A72.1Confident81.3Confident0 Ų053.8 Ų53.80%029%0.292CS..THydrogen-bonded Turntrans-64.7-16.4-171.800000113.8L41 F49 L89 L100L41-A44 WeakPolarHBondContact O-CB 3.43Å; L41-A44 PolarHBondContact O-N 2.9Å; A44-F49 HydrophobicContact CB-CD1 4.43Å; A44-F49 HydrophobicContact CB-CE1 4.27Å; A44-F49 HydrophobicContact CB-CZ 4.46Å; A44-F49 WeakPolarHBondContact O-CD1 3.27Å; A44-L89 HydrophobicContact CB-CD1 4.43Å; A44-L89 HydrophobicContact CB-CD2 3.85Å; A44-L100 HydrophobicContact CB-CD2 3.76Å; A44-L100 WeakPolarHBondContact O-CD2 3.41Å
45L77.3Confident81.5Confident82 Ų8246 Ų4643%0.42926%0.258SS..THydrogen-bonded Turntrans-97.42.2176.7-68.2171.1000114.3K43 I96 H97K43-L45 PolarHBondContact O-N 2.99Å; K43-L45 VanDerWaalsContact O-N 3.07Å; L45-I96 HydrophobicContact CD1-CG2 3.64Å; L45-H97 WeakPolarHBondContact CD1-CE1 3.39Å; L45-H97 WeakPolarHBondContact CD2-ND1 3.05Å; L45-H97 WeakPolarHBondContact CG-CE1 3.43Å; L45-H97 VanDerWaalsContact CG-ND1 3.32Å; L45-H97 WeakPolarHBondContact CG-ND1 3.3Å
46T88.1Confident81.9Confident63 Ų6345.5 Ų45.539%0.38726%0.255SS..SBendtrans-62.2143.4174.958.10000109.9K43 E48 F49 V50K43-T46 WeakPolarHBondContact O-CB 3.36Å; K43-T46 WeakPolarHBondContact O-CG2 3.22Å; K43-T46 PolarHBondContact O-N 3.27Å; K43-T46 PolarHBondContact O-OG1 2.97Å; T46-E48 PolarHBondContact O-N 3.36Å; T46-F49 WeakPolarHBondContact O-CB 3.45Å; T46-F49 PolarHBondContact O-N 3.15Å; T46-F49 VanDerWaalsContact OG1-CB 3.31Å; T46-F49 WeakPolarHBondContact OG1-CB 3.41Å; T46-F49 PolarHBondContact OG1-N 2.85Å; T46-V50 PolarHBondContact O-N 3.29Å
47E89.4Confident82.4Confident127 Ų12746.7 Ų46.759%0.59326%0.261SS*.Hα-helixtrans-52.7-39.2175.5-175.1-174.1-17700111.1T4 F49 V50 L51T4-E47 HydrophobicContact CG2-CG 4.5Å; E47-F49 PolarHBondContact O-N 3.35Å; E47-V50 PolarHBondContact O-N 2.94Å; E47-L51 HydrophobicContact CG-CD1 3.99Å; E47-L51 HydrophobicContact CG-CG 4.4Å; E47-L51 WeakPolarHBondContact O-CB 3.27Å; E47-L51 VanDerWaalsContact O-CG 3.25Å; E47-L51 WeakPolarHBondContact O-CG 3.33Å; E47-L51 PolarHBondContact O-N 3.47Å
48E90.1Very high83Confident54 Ų5447 Ų4725%0.25225%0.253SS..Hα-helixtrans-61.3-42.2177-166.8-178.5151.100112.9Q3 T4 L7 V35 T46 S52Q3-E48 HydrophobicContact CG-CG 4.33Å; Q3-E48 PolarHBondContact NE2-OE1 3.43Å; Q3-E48 PolarHBondContact OE1-OE1 3.22Å; T4-E48 HydrophobicContact CG2-CB 4.12Å; L7-E48 HydrophobicContact CD1-CG 3.68Å; V35-E48 HydrophobicContact CG1-CG 4.19Å; V35-E48 HydrophobicContact CG2-CG 4.07Å; V35-E48 WeakPolarHBondContact CG2-OE1 3.39Å; T46-E48 PolarHBondContact O-N 3.36Å; E48-S52 VanDerWaalsContact O-CB 3.26Å; E48-S52 WeakPolarHBondContact O-CB 3.43Å; E48-S52 PolarHBondContact O-N 3.26Å; E48-S52 PolarHBondContact O-OG 2.99Å
49F90.4Very high84.1Confident0 Ų044.4 Ų44.40%023%0.234CC..Hα-helixtrans-66.1-48.7176.6-173.3-85.8000111.2V35 I36 S39 A44 T46 E47 L51 S52 V53 L89 L100 I104V35-F49 HydrophobicContact CG1-CB 4.29Å; V35-F49 HydrophobicContact CG1-CD2 4.28Å; I36-F49 HydrophobicContact CB-CE2 4.25Å; I36-F49 HydrophobicContact CG1-CD2 4.4Å; I36-F49 HydrophobicContact CG1-CE2 3.97Å; I36-F49 HydrophobicContact CG1-CZ 4.4Å; I36-F49 HydrophobicContact CG2-CE2 4.3Å; S39-F49 WeakPolarHBondContact OG-CD2 3.46Å; S39-F49 VanDerWaalsContact OG-CE2 3.28Å; S39-F49 WeakPolarHBondContact OG-CE2 3.39Å; A44-F49 HydrophobicContact CB-CD1 4.43Å; A44-F49 HydrophobicContact CB-CE1 4.27Å; A44-F49 HydrophobicContact CB-CZ 4.46Å; A44-F49 WeakPolarHBondContact O-CD1 3.27Å; T46-F49 WeakPolarHBondContact O-CB 3.45Å; T46-F49 PolarHBondContact O-N 3.15Å; T46-F49 VanDerWaalsContact OG1-CB 3.31Å; T46-F49 WeakPolarHBondContact OG1-CB 3.41Å; T46-F49 PolarHBondContact OG1-N 2.85Å; E47-F49 PolarHBondContact O-N 3.35Å; F49-L51 VanDerWaalsContact C-N 3.33Å; F49-L51 PolarHBondContact O-N 2.89Å; F49-S52 WeakPolarHBondContact O-CB 3.13Å; F49-S52 PolarHBondContact O-N 3.06Å; F49-S52 VanDerWaalsContact O-N 3.12Å; F49-V53 HydrophobicContact CD1-CG2 3.92Å; F49-V53 HydrophobicContact CE1-CG2 3.57Å; F49-V53 HydrophobicContact CZ-CG2 4.14Å; F49-V53 WeakPolarHBondContact O-CG2 3.35Å; F49-V53 PolarHBondContact O-N 3.17Å; F49-L89 HydrophobicContact CE1-CD1 4.01Å; F49-L89 HydrophobicContact CE2-CD1 4.39Å; F49-L89 HydrophobicContact CZ-CD1 3.44Å; F49-L89 VanDerWaalsContact CZ-CD1 3.44Å; F49-L100 HydrophobicContact CD1-CD1 3.89Å; F49-L100 HydrophobicContact CD1-CD2 4.34Å; F49-L100 HydrophobicContact CE1-CD1 3.76Å; F49-L100 HydrophobicContact CE1-CD2 4.04Å; F49-L100 HydrophobicContact CE1-CG 4.41Å; F49-I104 HydrophobicContact CE1-CD1 4.22Å; F49-I104 HydrophobicContact CZ-CD1 4.45Å
50V91.5Very high85.6Confident33 Ų3343.3 Ų43.320%0.223%0.226CC..Hα-helixtrans-60.7-43.7179.9175.50000111T46 E47 S52 V53 K54 L100 L103T46-V50 PolarHBondContact O-N 3.29Å; E47-V50 PolarHBondContact O-N 2.94Å; V50-S52 VanDerWaalsContact C-N 3.34Å; V50-V53 PolarHBondContact O-N 3.23Å; V50-K54 HydrophobicContact CG1-CD 4.28Å; V50-K54 WeakPolarHBondContact O-CG 3.46Å; V50-K54 PolarHBondContact O-N 2.89Å; V50-L100 HydrophobicContact CG2-CD1 4.25Å; V50-L103 HydrophobicContact CG1-CD1 3.99Å
51L92.8Very high87.1Confident18 Ų1840.6 Ų40.69%0.09422%0.215CC..Hα-helixtrans-62.8-41.7174.9-73.3173.2000111.7L7 L11 E47 F49 V53 K54 C55L7-L51 HydrophobicContact CB-CB 3.98Å; L7-L51 HydrophobicContact CB-CD1 4.26Å; L7-L51 HydrophobicContact CD1-CB 4.3Å; L11-L51 HydrophobicContact CD2-CD2 3.9Å; E47-L51 HydrophobicContact CG-CD1 3.99Å; E47-L51 HydrophobicContact CG-CG 4.4Å; E47-L51 WeakPolarHBondContact O-CB 3.27Å; E47-L51 VanDerWaalsContact O-CG 3.25Å; E47-L51 WeakPolarHBondContact O-CG 3.33Å; E47-L51 PolarHBondContact O-N 3.47Å; F49-L51 VanDerWaalsContact C-N 3.33Å; F49-L51 PolarHBondContact O-N 2.89Å; L51-V53 PolarHBondContact O-N 3.28Å; L51-K54 PolarHBondContact O-N 2.9Å; L51-C55 PolarHBondContact O-N 3.4Å; L51-C55 PolarHBondContact O-SG 3.33Å
52S92.9Very high88.6Confident0 Ų040.4 Ų40.40%022%0.217CC..Hα-helixtrans-59.6-45.9176.9-66.10000112L7 E48 F49 V50 C55 L56L7-S52 WeakPolarHBondContact CD1-OG 3.42Å; E48-S52 VanDerWaalsContact O-CB 3.26Å; E48-S52 WeakPolarHBondContact O-CB 3.43Å; E48-S52 PolarHBondContact O-N 3.26Å; E48-S52 PolarHBondContact O-OG 2.99Å; F49-S52 WeakPolarHBondContact O-CB 3.13Å; F49-S52 PolarHBondContact O-N 3.06Å; F49-S52 VanDerWaalsContact O-N 3.12Å; V50-S52 VanDerWaalsContact C-N 3.34Å; S52-C55 PolarHBondContact O-N 2.87Å; S52-L56 PolarHBondContact O-N 2.86Å
53V94Very high89.8Confident0 Ų041.8 Ų41.80%022%0.222CC..Hα-helixtrans-61.3-47.3175.3175.20000110.8I36 F49 V50 L51 C55 L56 I57 L103 I104 L107I36-V53 HydrophobicContact CD1-CG2 4.46Å; F49-V53 HydrophobicContact CD1-CG2 3.92Å; F49-V53 HydrophobicContact CE1-CG2 3.57Å; F49-V53 HydrophobicContact CZ-CG2 4.14Å; F49-V53 WeakPolarHBondContact O-CG2 3.35Å; F49-V53 PolarHBondContact O-N 3.17Å; V50-V53 PolarHBondContact O-N 3.23Å; L51-V53 PolarHBondContact O-N 3.28Å; V53-C55 VanDerWaalsContact C-N 3.32Å; V53-C55 PolarHBondContact O-N 3.46Å; V53-L56 PolarHBondContact O-N 3.15Å; V53-L56 VanDerWaalsContact O-N 3.09Å; V53-I57 HydrophobicContact CG1-CD1 4.18Å; V53-I57 HydrophobicContact CG1-CG1 4.46Å; V53-I57 WeakPolarHBondContact O-CG1 3.36Å; V53-I57 PolarHBondContact O-N 2.89Å; V53-L103 HydrophobicContact CG1-CB 3.83Å; V53-I104 HydrophobicContact CB-CD1 4.49Å; V53-I104 HydrophobicContact CG1-CD1 3.94Å; V53-I104 HydrophobicContact CG2-CD1 3.66Å; V53-L107 HydrophobicContact CG1-CD2 4.37Å
54K94.8Very high90.9Very high83 Ų8342 Ų4236%0.36122%0.224SC..Hα-helixtrans-59.9-40.8177.8-71.9176.6177.7-177.80112.5L11 V50 L51 I57 N58 L103L11-K54 HydrophobicContact CD1-CB 3.71Å; L11-K54 HydrophobicContact CD2-CB 4.15Å; L11-K54 HydrophobicContact CD2-CD 4.2Å; V50-K54 HydrophobicContact CG1-CD 4.28Å; V50-K54 WeakPolarHBondContact O-CG 3.46Å; V50-K54 PolarHBondContact O-N 2.89Å; L51-K54 PolarHBondContact O-N 2.9Å; K54-I57 PolarHBondContact O-N 2.88Å; K54-N58 PolarHBondContact O-N 2.93Å; K54-L103 HydrophobicContact CG-CD1 4.13Å; K54-L103 HydrophobicContact CG-CD2 4.22Å
55C93.9Very high91.8Very high0 Ų042 Ų420%022%0.224CC..Hα-helixtrans-60.7-45.2173.5-70.60000111.2L7 L10 L51 S52 V53 N58 I59L7-C55 PolarHBondContact O-SG 3.46Å; L10-C55 HydrophobicContact CD2-CB 4.11Å; L51-C55 PolarHBondContact O-N 3.4Å; L51-C55 PolarHBondContact O-SG 3.33Å; S52-C55 PolarHBondContact O-N 2.87Å; V53-C55 VanDerWaalsContact C-N 3.32Å; V53-C55 PolarHBondContact O-N 3.46Å; C55-N58 PolarHBondContact O-N 3.21Å; C55-I59 WeakPolarHBondContact O-CG1 3.39Å; C55-I59 PolarHBondContact O-N 2.94Å
56L95.2Very high92.6Very high0 Ų038.3 Ų38.30%021%0.205CC..Hα-helixtrans-64.7-38.3177.4-73-176.9000113.3L29 V32 I36 S52 V53 N58 I59 C60 L69 F82 L107L29-L56 HydrophobicContact CD2-CD2 3.42Å; L29-L56 VanDerWaalsContact CD2-CD2 3.42Å; V32-L56 HydrophobicContact CG1-CD1 3.69Å; V32-L56 HydrophobicContact CG1-CD2 3.75Å; V32-L56 HydrophobicContact CG1-CG 3.42Å; V32-L56 VanDerWaalsContact CG1-CG 3.42Å; I36-L56 HydrophobicContact CD1-CD1 3.34Å; I36-L56 HydrophobicContact CD1-CG 4.44Å; S52-L56 PolarHBondContact O-N 2.86Å; V53-L56 PolarHBondContact O-N 3.15Å; V53-L56 VanDerWaalsContact O-N 3.09Å; L56-N58 VanDerWaalsContact C-N 3.25Å; L56-N58 PolarHBondContact O-N 3.08Å; L56-I59 PolarHBondContact O-N 3.43Å; L56-C60 WeakPolarHBondContact O-CB 3.39Å; L56-C60 PolarHBondContact O-N 3.33Å; L56-C60 PolarHBondContact O-SG 3.01Å; L56-L69 HydrophobicContact CD2-CD1 4.4Å; L56-F82 HydrophobicContact CD1-CE2 4.23Å; L56-F82 HydrophobicContact CD1-CZ 3.79Å; L56-L107 HydrophobicContact CB-CD1 3.64Å; L56-L107 HydrophobicContact CB-CD2 3.92Å; L56-L107 HydrophobicContact CB-CG 4.45Å; L56-L107 HydrophobicContact CD1-CD2 3.88Å
57I96.2Very high92.8Very high25 Ų2538.2 Ų38.213%0.12821%0.207CC..Hα-helixtrans-54.4-48.7175.7-68.4167.3000109.4V53 K54 S61 L103 D106 L107 N110V53-I57 HydrophobicContact CG1-CD1 4.18Å; V53-I57 HydrophobicContact CG1-CG1 4.46Å; V53-I57 WeakPolarHBondContact O-CG1 3.36Å; V53-I57 PolarHBondContact O-N 2.89Å; K54-I57 PolarHBondContact O-N 2.88Å; I57-S61 WeakPolarHBondContact O-CB 3.15Å; I57-S61 PolarHBondContact O-N 2.89Å; I57-L103 HydrophobicContact CD1-CB 4.04Å; I57-L103 HydrophobicContact CD1-CD2 3.86Å; I57-L103 VanDerWaalsContact CD1-O 3.31Å; I57-L103 WeakPolarHBondContact CD1-O 3.32Å; I57-D106 HydrophobicContact CD1-CB 4.12Å; I57-D106 HydrophobicContact CG1-CB 4.43Å; I57-L107 HydrophobicContact CG1-CB 3.85Å; I57-N110 PolarHBondContact O-ND2 3.18Å
58N94.5Very high93Very high46 Ų4633.1 Ų33.125%0.24618%0.184CC..Hα-helixtrans-66.1-45.6179.5-67.5-8.1000112L11 T14 A15 K54 C55 L56 S61L11-N58 WeakPolarHBondContact CD1-ND2 3.23Å; T14-N58 WeakPolarHBondContact OG1-CB 3.4Å; T14-N58 PolarHBondContact OG1-ND2 3.49Å; T14-N58 VanDerWaalsContact OG1-ND2 3.17Å; A15-N58 WeakPolarHBondContact CA-ND2 3.39Å; A15-N58 PolarHBondContact N-ND2 3.28Å; K54-N58 PolarHBondContact O-N 2.93Å; C55-N58 PolarHBondContact O-N 3.21Å; L56-N58 VanDerWaalsContact C-N 3.25Å; L56-N58 PolarHBondContact O-N 3.08Å; N58-S61 VanDerWaalsContact O-CB 3.31Å; N58-S61 WeakPolarHBondContact O-CB 3.16Å; N58-S61 PolarHBondContact O-N 3.49Å; N58-S61 PolarHBondContact O-OG 2.86Å
59I93.1Very high93.2Very high9 Ų930.6 Ų30.65%0.04617%0.172CC..Hα-helixtrans-64-52.6-178.5-66.2167.6000110.5T14 L25 L29 C55 L56 S61 T62 G65T14-I59 HydrophobicContact CG2-CD1 4.27Å; T14-I59 HydrophobicContact CG2-CG1 3.76Å; L25-I59 HydrophobicContact CD1-CD1 3.64Å; L25-I59 HydrophobicContact CD1-CG1 3.89Å; L25-I59 HydrophobicContact CD1-CG2 4.4Å; L25-I59 HydrophobicContact CD2-CG2 4.01Å; L25-I59 HydrophobicContact CG-CG2 4.4Å; L29-I59 HydrophobicContact CD2-CD1 4Å; L29-I59 HydrophobicContact CD2-CG2 4.14Å; C55-I59 WeakPolarHBondContact O-CG1 3.39Å; C55-I59 PolarHBondContact O-N 2.94Å; L56-I59 PolarHBondContact O-N 3.43Å; I59-S61 PolarHBondContact O-N 3.28Å; I59-S61 VanDerWaalsContact O-N 3.15Å; I59-T62 PolarHBondContact O-N 3.49Å; I59-T62 PolarHBondContact O-OG1 3.39Å; I59-T62 VanDerWaalsContact O-OG1 3.05Å; I59-G65 WeakPolarHBondContact O-CA 3.48Å
60C94.8Very high93.4Very high0 Ų034.3 Ų34.30%019%0.188CC..THydrogen-bonded Turntrans-75.12.3-179-59.20000113.2L56 T62 T66 L107 N110 L111 R113L56-C60 WeakPolarHBondContact O-CB 3.39Å; L56-C60 PolarHBondContact O-N 3.33Å; L56-C60 PolarHBondContact O-SG 3.01Å; C60-T62 PolarHBondContact O-N 2.98Å; C60-T66 HydrophobicContact CB-CG2 3.92Å; C60-L107 HydrophobicContact CB-CD1 4.15Å; C60-N110 HydrophobicContact CB-CB 4.33Å; C60-N110 WeakPolarHBondContact O-CB 3.38Å; C60-L111 HydrophobicContact CB-CD2 4Å; C60-R113 PolarHBondContact O-NH2 3.26Å
61S94.1Very high93.5Very high47 Ų4736.7 Ų36.733%0.32920%0.203SC..THydrogen-bonded Turntrans-65.9-16.216776.30000112.2I57 N58 I59 R113I57-S61 WeakPolarHBondContact O-CB 3.15Å; I57-S61 PolarHBondContact O-N 2.89Å; N58-S61 VanDerWaalsContact O-CB 3.31Å; N58-S61 WeakPolarHBondContact O-CB 3.16Å; N58-S61 PolarHBondContact O-N 3.49Å; N58-S61 PolarHBondContact O-OG 2.86Å; I59-S61 PolarHBondContact O-N 3.28Å; I59-S61 VanDerWaalsContact O-N 3.15Å; S61-R113 VanDerWaalsContact CA-NH2 3.29Å; S61-R113 PolarHBondContact O-NH1 3.02Å; S61-R113 PolarHBondContact O-NH2 3.13Å
62T91.6Very high93.6Very high69 Ų6936.3 Ų36.342%0.42320%0.201SC..SBendtrans-113.6153.517868.90000112.2I59 C60 Q64 G65 T66I59-T62 PolarHBondContact O-N 3.49Å; I59-T62 PolarHBondContact O-OG1 3.39Å; I59-T62 VanDerWaalsContact O-OG1 3.05Å; C60-T62 PolarHBondContact O-N 2.98Å; T62-Q64 VanDerWaalsContact C-N 3.29Å; T62-Q64 PolarHBondContact O-N 3.34Å; T62-G65 PolarHBondContact O-N 2.92Å; T62-G65 PolarHBondContact OG1-N 3.42Å; T62-T66 PolarHBondContact O-N 3.37Å; T62-T66 VanDerWaalsContact O-N 3.16Å
63V90.3Very high93.7Very high121 Ų12136.4 Ų36.473%0.73320%0.202SC*.Hα-helixtrans-62.3-37.3175178.60000111.6G65 T66 S67V63-G65 PolarHBondContact O-N 3.22Å; V63-T66 PolarHBondContact O-N 2.83Å; V63-T66 PolarHBondContact O-OG1 2.95Å; V63-S67 WeakPolarHBondContact O-CB 3.09Å; V63-S67 PolarHBondContact O-N 3.01Å
64Q90.7Very high93.6Very high105 Ų10540.1 Ų40.149%0.49123%0.228SC..Hα-helixtrans-61.6-44.5175.7-177.3178.7-100111.2D22 T62 S67 L68D22-Q64 PolarHBondContact OD1-NE2 3Å; T62-Q64 VanDerWaalsContact C-N 3.29Å; T62-Q64 PolarHBondContact O-N 3.34Å; Q64-S67 PolarHBondContact O-N 3.35Å; Q64-L68 HydrophobicContact CG-CD1 4.04Å; Q64-L68 WeakPolarHBondContact O-CB 3.35Å; Q64-L68 WeakPolarHBondContact O-CG 3.22Å; Q64-L68 PolarHBondContact O-N 3.5Å
65G91.9Very high93.5Very high0 Ų039 Ų390%023%0.228CC..Hα-helixtrans-65.8-39.1178.800000113.9I59 T62 V63 L69I59-G65 WeakPolarHBondContact O-CA 3.48Å; T62-G65 PolarHBondContact O-N 2.92Å; T62-G65 PolarHBondContact OG1-N 3.42Å; V63-G65 PolarHBondContact O-N 3.22Å; G65-L69 WeakPolarHBondContact O-CB 3.32Å; G65-L69 PolarHBondContact O-N 2.67Å
66T93.6Very high93.5Very high4 Ų444.5 Ų44.53%0.02525%0.254CS..Hα-helixtrans-66.7-39174.459.90000111.7C60 T62 V63 L69 K70 L111C60-T66 HydrophobicContact CB-CG2 3.92Å; T62-T66 PolarHBondContact O-N 3.37Å; T62-T66 VanDerWaalsContact O-N 3.16Å; V63-T66 PolarHBondContact O-N 2.83Å; V63-T66 PolarHBondContact O-OG1 2.95Å; T66-L69 PolarHBondContact O-N 3.33Å; T66-K70 PolarHBondContact O-N 3.24Å; T66-K70 VanDerWaalsContact O-N 3.1Å; T66-L111 HydrophobicContact CG2-CD2 4.29Å
67S92.7Very high93.4Very high61 Ų6151.7 Ų51.743%0.42729%0.287SS..Hα-helixtrans-64.5-46.1176-175.30000112.2V63 Q64 L69 K70 T71V63-S67 WeakPolarHBondContact O-CB 3.09Å; V63-S67 PolarHBondContact O-N 3.01Å; Q64-S67 PolarHBondContact O-N 3.35Å; S67-L69 PolarHBondContact O-N 3.26Å; S67-K70 WeakPolarHBondContact O-CB 2.81Å; S67-K70 PolarHBondContact O-N 3Å; S67-T71 PolarHBondContact O-N 3.29Å; S67-T71 PolarHBondContact O-OG1 3.27Å
68L93.5Very high93.2Very high21 Ų2155.5 Ų55.511%0.1130%0.303CS..Hα-helixtrans-64.2-39.9176.6-74.8169.2000112.2D22 L25 L29 Q64 K70 T71 V72D22-L68 HydrophobicContact CB-CD1 4.42Å; D22-L68 HydrophobicContact CB-CD2 4.27Å; L25-L68 HydrophobicContact CD2-CD1 3.74Å; L25-L68 HydrophobicContact CG-CD1 4.46Å; L29-L68 HydrophobicContact CD1-CB 3.78Å; Q64-L68 HydrophobicContact CG-CD1 4.04Å; Q64-L68 WeakPolarHBondContact O-CB 3.35Å; Q64-L68 WeakPolarHBondContact O-CG 3.22Å; Q64-L68 PolarHBondContact O-N 3.5Å; L68-K70 VanDerWaalsContact C-N 3.28Å; L68-K70 PolarHBondContact O-N 3.12Å; L68-T71 WeakPolarHBondContact O-CB 3.29Å; L68-T71 PolarHBondContact O-N 3Å; L68-T71 VanDerWaalsContact O-N 3.13Å; L68-V72 WeakPolarHBondContact O-CG2 3.04Å; L68-V72 PolarHBondContact O-N 2.78Å
69L95.7Very high93.2Very high0 Ų055 Ų550%030%0.298CS..Hα-helixtrans-60.5-39.7174.6178.663.3000111.6L29 V33 L56 G65 T66 S67 T71 V72 L73 F82 L111 W117L29-L69 HydrophobicContact CD2-CD1 4.26Å; V33-L69 HydrophobicContact CG2-CD1 3.52Å; L56-L69 HydrophobicContact CD2-CD1 4.4Å; G65-L69 WeakPolarHBondContact O-CB 3.32Å; G65-L69 PolarHBondContact O-N 2.67Å; T66-L69 PolarHBondContact O-N 3.33Å; S67-L69 PolarHBondContact O-N 3.26Å; L69-T71 VanDerWaalsContact C-N 3.33Å; L69-T71 PolarHBondContact O-N 3.45Å; L69-V72 PolarHBondContact O-N 3.28Å; L69-L73 HydrophobicContact CD1-CD1 3.8Å; L69-L73 HydrophobicContact CD1-CG 4.29Å; L69-L73 HydrophobicContact CG-CD1 3.97Å; L69-L73 WeakPolarHBondContact O-CB 3.23Å; L69-L73 PolarHBondContact O-N 3.32Å; L69-F82 HydrophobicContact CD2-CE1 4Å; L69-F82 HydrophobicContact CD2-CZ 4.18Å; L69-L111 HydrophobicContact CD2-CD2 3.61Å; L69-W117 HydrophobicContact CB-CZ2 4.36Å; L69-W117 HydrophobicContact CD2-CH2 4.32Å; L69-W117 HydrophobicContact CD2-CZ2 4.08Å; L69-W117 HydrophobicContact CG-CH2 4.21Å; L69-W117 HydrophobicContact CG-CZ2 3.99Å
70K94.1Very high93.2Very high78 Ų7857.5 Ų57.534%0.33931%0.309SS..Hα-helixtrans-61.8-41.4174.3179.6-166.3179.2176.40111.4T66 S67 L68 L73 V116 W117T66-K70 PolarHBondContact O-N 3.24Å; T66-K70 VanDerWaalsContact O-N 3.1Å; S67-K70 WeakPolarHBondContact O-CB 2.81Å; S67-K70 PolarHBondContact O-N 3Å; L68-K70 VanDerWaalsContact C-N 3.28Å; L68-K70 PolarHBondContact O-N 3.12Å; K70-L73 CarbonylContact O-C 3.15Å; K70-L73 PolarHBondContact O-N 3.07Å; K70-V116 HydrophobicContact CD-CG1 3.85Å; K70-V116 HydrophobicContact CD-CG2 4.29Å; K70-V116 HydrophobicContact CG-CG1 4.29Å; K70-W117 HydrophobicContact CB-CZ2 3.95Å
71T93.6Very high93.1Very high83 Ų8361.2 Ų61.251%0.50933%0.327SS..Hα-helixtrans-64-44.3176.6-60.30000111.8S67 L68 L69 L73 S74S67-T71 PolarHBondContact O-N 3.29Å; S67-T71 PolarHBondContact O-OG1 3.27Å; L68-T71 WeakPolarHBondContact O-CB 3.29Å; L68-T71 PolarHBondContact O-N 3Å; L68-T71 VanDerWaalsContact O-N 3.13Å; L69-T71 VanDerWaalsContact C-N 3.33Å; L69-T71 PolarHBondContact O-N 3.45Å; T71-L73 VanDerWaalsContact C-N 3.35Å; T71-L73 PolarHBondContact O-N 3.1Å; T71-S74 WeakPolarHBondContact O-CA 3.47Å; T71-S74 WeakPolarHBondContact O-CB 3.14Å; T71-S74 PolarHBondContact O-N 3.47Å
72V94.4Very high93.1Very high10 Ų1059.2 Ų59.26%0.06131%0.312CS..Hα-helixtrans-62.2-42.3175.6169.20000111.4E26 L29 V33 L68 L69 S74E26-V72 HydrophobicContact CG-CG2 3.61Å; L29-V72 HydrophobicContact CB-CB 4.45Å; L29-V72 HydrophobicContact CB-CG1 4.35Å; L29-V72 HydrophobicContact CB-CG2 3.84Å; L29-V72 HydrophobicContact CD1-CG2 4.24Å; V33-V72 HydrophobicContact CB-CG1 4.48Å; V33-V72 HydrophobicContact CG2-CG1 4.12Å; L68-V72 WeakPolarHBondContact O-CG2 3.04Å; L68-V72 PolarHBondContact O-N 2.78Å; L69-V72 PolarHBondContact O-N 3.28Å; V72-S74 PolarHBondContact O-N 3.19Å
73L94.8Very high93.2Very high3 Ų355.9 Ų55.92%0.01629%0.292CS..SBendtrans-83.561.1171.3-67.5167.7000110.4V33 L69 K70 T71 T75 K78 R79 F82 W117V33-L73 HydrophobicContact CG1-CD2 3.48Å; V33-L73 VanDerWaalsContact CG1-CD2 3.48Å; V33-L73 HydrophobicContact CG1-CG 4.29Å; V33-L73 HydrophobicContact CG2-CD1 4.49Å; V33-L73 HydrophobicContact CG2-CD2 4.33Å; V33-L73 HydrophobicContact CG2-CG 4.28Å; L69-L73 HydrophobicContact CD1-CD1 3.8Å; L69-L73 HydrophobicContact CD1-CG 4.29Å; L69-L73 HydrophobicContact CG-CD1 3.97Å; L69-L73 WeakPolarHBondContact O-CB 3.23Å; L69-L73 PolarHBondContact O-N 3.32Å; K70-L73 CarbonylContact O-C 3.15Å; K70-L73 PolarHBondContact O-N 3.07Å; T71-L73 VanDerWaalsContact C-N 3.35Å; T71-L73 PolarHBondContact O-N 3.1Å; L73-T75 VanDerWaalsContact C-N 3.27Å; L73-T75 PolarHBondContact O-N 3.36Å; L73-T75 VanDerWaalsContact O-N 3.12Å; L73-K78 HydrophobicContact CB-CB 4.45Å; L73-K78 HydrophobicContact CD2-CB 3.91Å; L73-R79 HydrophobicContact CB-CG 3.62Å; L73-R79 HydrophobicContact CD1-CG 4.5Å; L73-R79 WeakPolarHBondContact O-CG 3.32Å; L73-R79 PolarHBondContact O-NH1 3.01Å; L73-F82 HydrophobicContact CD1-CB 3.93Å; L73-F82 HydrophobicContact CD1-CD1 3.71Å; L73-F82 HydrophobicContact CD1-CD2 4.13Å; L73-F82 HydrophobicContact CD1-CE1 4.23Å; L73-F82 HydrophobicContact CD1-CG 3.65Å; L73-F82 HydrophobicContact CD2-CB 4.23Å; L73-W117 HydrophobicContact CD1-CH2 3.69Å; L73-W117 HydrophobicContact CD1-CZ3 4.31Å
74S91.5Very high93.4Very high78 Ų7855 Ų5555%0.54528%0.275SS..  trans-58.7-28.6-166.159.30000115.6T71 V72 R79T71-S74 WeakPolarHBondContact O-CA 3.47Å; T71-S74 WeakPolarHBondContact O-CB 3.14Å; T71-S74 PolarHBondContact O-N 3.47Å; V72-S74 PolarHBondContact O-N 3.19Å; S74-R79 PolarHBondContact O-NH1 3.1Å
75T93.6Very high93.5Very high59 Ų5950.5 Ų50.536%0.36225%0.254SS..SBendtrans-102.6152.7-179.867.90000111.8L73 E77 K78 R79L73-T75 VanDerWaalsContact C-N 3.27Å; L73-T75 PolarHBondContact O-N 3.36Å; L73-T75 VanDerWaalsContact O-N 3.12Å; T75-E77 VanDerWaalsContact C-N 3.34Å; T75-E77 PolarHBondContact O-N 2.79Å; T75-K78 PolarHBondContact O-N 3.35Å; T75-K78 WeakPolarHBondContact OG1-CB 3.34Å; T75-K78 VanDerWaalsContact OG1-CG 3.26Å; T75-K78 WeakPolarHBondContact OG1-CG 3.39Å; T75-K78 PolarHBondContact OG1-N 3.16Å; T75-R79 PolarHBondContact O-N 3.09Å; T75-R79 PolarHBondContact O-NH1 2.85Å
76Q93.3Very high93.6Very high115 Ų11550.5 Ų50.554%0.53725%0.254SS..Hα-helixtrans-57.8-46.8174.4173.2166.5-12.200111.8K78 R79 E80Q76-K78 VanDerWaalsContact C-N 3.3Å; Q76-K78 PolarHBondContact O-N 3.42Å; Q76-R79 PolarHBondContact O-N 3Å; Q76-E80 HydrophobicContact CG-CG 4.28Å; Q76-E80 WeakPolarHBondContact CG-OE1 3.37Å; Q76-E80 PolarHBondContact NE2-OE1 3.43Å; Q76-E80 WeakPolarHBondContact O-CG 3.23Å; Q76-E80 PolarHBondContact O-N 2.88Å
77E93.1Very high93.6Very high151 Ų15150.4 Ų50.471%0.70625%0.254SS*.Hα-helixtrans-53.5-43176.3-176.6-175-177.200112.8T75 R79 E80 E81T75-E77 VanDerWaalsContact C-N 3.34Å; T75-E77 PolarHBondContact O-N 2.79Å; E77-R79 VanDerWaalsContact C-N 3.33Å; E77-R79 PolarHBondContact O-N 2.76Å; E77-E80 PolarHBondContact O-N 2.88Å; E77-E81 WeakPolarHBondContact O-CB 3.3Å; E77-E81 PolarHBondContact O-N 3.48Å
78K93Very high93.5Very high105 Ų10550.4 Ų50.446%0.45725%0.251SS..Hα-helixtrans-64.7-37.3177.5-78.3176.4-179.3179.60112.2L73 T75 Q76 F82L73-K78 HydrophobicContact CB-CB 4.45Å; L73-K78 HydrophobicContact CD2-CB 3.91Å; T75-K78 PolarHBondContact O-N 3.35Å; T75-K78 WeakPolarHBondContact OG1-CB 3.34Å; T75-K78 VanDerWaalsContact OG1-CG 3.26Å; T75-K78 WeakPolarHBondContact OG1-CG 3.39Å; T75-K78 PolarHBondContact OG1-N 3.16Å; Q76-K78 VanDerWaalsContact C-N 3.3Å; Q76-K78 PolarHBondContact O-N 3.42Å; K78-F82 WeakPolarHBondContact O-CB 3.35Å; K78-F82 PolarHBondContact O-N 3.28Å
79R93.9Very high93.4Very high36 Ų3649.9 Ų49.914%0.13625%0.249CC..Hα-helixtrans-72-42.1178-68.5-171.7-61.8-86.53111.6L73 S74 T75 Q76 E77 F82 T83 W117 H120L73-R79 HydrophobicContact CB-CG 3.62Å; L73-R79 HydrophobicContact CD1-CG 4.5Å; L73-R79 WeakPolarHBondContact O-CG 3.32Å; L73-R79 PolarHBondContact O-NH1 3.01Å; S74-R79 PolarHBondContact O-NH1 3.1Å; T75-R79 PolarHBondContact O-N 3.09Å; T75-R79 PolarHBondContact O-NH1 2.85Å; Q76-R79 PolarHBondContact O-N 3Å; E77-R79 VanDerWaalsContact C-N 3.33Å; E77-R79 PolarHBondContact O-N 2.76Å; R79-F82 PolarHBondContact O-N 2.96Å; R79-T83 WeakPolarHBondContact O-CB 2.95Å; R79-T83 WeakPolarHBondContact O-CG2 3.42Å; R79-T83 PolarHBondContact O-N 3.26Å; R79-T83 PolarHBondContact O-OG1 3.1Å; R79-W117 HydrophobicContact CB-CZ3 4.13Å; R79-W117 HydrophobicContact CG-CH2 3.98Å; R79-W117 HydrophobicContact CG-CZ3 4.04Å; R79-H120 PolarHBondContact NE-NE2 3.43Å
80E93.1Very high93.3Very high62 Ų6250 Ų5029%0.2925%0.249SC..Hα-helixtrans-59.5-49.3174.2-72.2170.5-176.300110.4Q76 E77 F82 T83 R84Q76-E80 HydrophobicContact CG-CG 4.28Å; Q76-E80 WeakPolarHBondContact CG-OE1 3.37Å; Q76-E80 PolarHBondContact NE2-OE1 3.43Å; Q76-E80 WeakPolarHBondContact O-CG 3.23Å; Q76-E80 PolarHBondContact O-N 2.88Å; E77-E80 PolarHBondContact O-N 2.88Å; E80-F82 PolarHBondContact O-N 2.93Å; E80-T83 PolarHBondContact O-N 3.44Å; E80-T83 PolarHBondContact O-OG1 3.32Å; E80-T83 VanDerWaalsContact O-OG1 3.07Å; E80-R84 VanDerWaalsContact O-CB 3.22Å; E80-R84 WeakPolarHBondContact O-CB 3.48Å; E80-R84 PolarHBondContact O-N 3.24Å
81E92Very high93.1Very high78 Ų7848.4 Ų48.436%0.36424%0.244SC..Hα-helixtrans-63.2-43.4178.7179.158.8-173.900112.3E77 R84 I85E77-E81 WeakPolarHBondContact O-CB 3.3Å; E77-E81 PolarHBondContact O-N 3.48Å; E81-R84 PolarHBondContact O-N 3.05Å; E81-R84 IonicContact OE1-CZ 3.34Å; E81-R84 IonicContact OE1-NE 3Å; E81-R84 IonicContact OE1-NH2 2.59Å; E81-R84 PolarHBondContact OE1-NH2 3.29Å; E81-R84 IonicContact OE2-CZ 3.72Å; E81-R84 VanDerWaalsContact OE2-CZ 3.31Å; E81-R84 IonicContact OE2-NE 3.13Å; E81-R84 PolarHBondContact OE2-NE 2.85Å; E81-R84 IonicContact OE2-NH2 3.04Å; E81-R84 PolarHBondContact OE2-NH2 2.97Å; E81-I85 HydrophobicContact CG-CD1 4.16Å; E81-I85 VanDerWaalsContact O-CG1 3.3Å; E81-I85 WeakPolarHBondContact O-CG1 3.32Å; E81-I85 PolarHBondContact O-N 3.04Å
82F94.2Very high92.7Very high4 Ų446.3 Ų46.32%0.01823%0.23CC..Hα-helixtrans-60.6-48.4177.4179.8-99000112.1V33 I36 L56 L69 L73 K78 R79 E80 I85 L86 L111 W117V33-F82 HydrophobicContact CG2-CE2 4.48Å; I36-F82 HydrophobicContact CB-CE2 4.12Å; I36-F82 HydrophobicContact CD1-CE2 3.93Å; I36-F82 HydrophobicContact CD1-CZ 4.42Å; I36-F82 HydrophobicContact CG2-CD2 3.94Å; I36-F82 HydrophobicContact CG2-CE2 3.73Å; L56-F82 HydrophobicContact CD1-CE2 4.23Å; L56-F82 HydrophobicContact CD1-CZ 3.79Å; L69-F82 HydrophobicContact CD2-CE1 4Å; L69-F82 HydrophobicContact CD2-CZ 4.18Å; L73-F82 HydrophobicContact CD1-CB 3.93Å; L73-F82 HydrophobicContact CD1-CD1 3.71Å; L73-F82 HydrophobicContact CD1-CD2 4.13Å; L73-F82 HydrophobicContact CD1-CE1 4.23Å; L73-F82 HydrophobicContact CD1-CG 3.65Å; L73-F82 HydrophobicContact CD2-CB 4.23Å; K78-F82 WeakPolarHBondContact O-CB 3.35Å; K78-F82 PolarHBondContact O-N 3.28Å; R79-F82 PolarHBondContact O-N 2.96Å; E80-F82 PolarHBondContact O-N 2.93Å; F82-I85 PolarHBondContact O-N 3.22Å; F82-L86 HydrophobicContact CD1-CD1 4.01Å; F82-L86 HydrophobicContact CE1-CD1 3.38Å; F82-L86 HydrophobicContact CE1-CG 4.28Å; F82-L86 HydrophobicContact CE2-CD1 4.48Å; F82-L86 HydrophobicContact CZ-CD1 3.66Å; F82-L86 HydrophobicContact CZ-CG 4.35Å; F82-L86 WeakPolarHBondContact O-CG 3.35Å; F82-L86 PolarHBondContact O-N 3.41Å; F82-L86 VanDerWaalsContact O-N 3.16Å; F82-L111 HydrophobicContact CE1-CD1 4.13Å; F82-W117 HydrophobicContact CD1-CZ3 4.29Å
83T95.1Very high91.6Very high0 Ų050.8 Ų50.80%025%0.253CS..Hα-helixtrans-68.7-35.9179.952.40000112.2R79 E80 I85 L86 A87 W117 H120 F121 H124R79-T83 WeakPolarHBondContact O-CB 2.95Å; R79-T83 WeakPolarHBondContact O-CG2 3.42Å; R79-T83 PolarHBondContact O-N 3.26Å; R79-T83 PolarHBondContact O-OG1 3.1Å; E80-T83 PolarHBondContact O-N 3.44Å; E80-T83 PolarHBondContact O-OG1 3.32Å; E80-T83 VanDerWaalsContact O-OG1 3.07Å; T83-I85 PolarHBondContact O-N 3.09Å; T83-L86 PolarHBondContact O-N 3.34Å; T83-A87 WeakPolarHBondContact O-CB 3.48Å; T83-A87 PolarHBondContact O-N 3.34Å; T83-W117 HydrophobicContact CG2-CE3 3.71Å; T83-W117 HydrophobicContact CG2-CZ3 3.9Å; T83-H120 HydrophobicContact CG2-CB 3.89Å; T83-F121 HydrophobicContact CG2-CD1 4.41Å; T83-F121 HydrophobicContact CG2-CD2 4.14Å; T83-F121 HydrophobicContact CG2-CE1 4.04Å; T83-F121 HydrophobicContact CG2-CE2 3.74Å; T83-F121 HydrophobicContact CG2-CG 4.46Å; T83-F121 HydrophobicContact CG2-CZ 3.69Å; T83-H124 PolarHBondContact OG1-NE2 2.91Å
84R93.2Very high90.6Very high101 Ų10152.7 Ų52.738%0.38127%0.267SS..Hα-helixtrans-59.2-45.7172.9-170.5-16765.770.3-0112E80 E81 T88 H124E80-R84 VanDerWaalsContact O-CB 3.22Å; E80-R84 WeakPolarHBondContact O-CB 3.48Å; E80-R84 PolarHBondContact O-N 3.24Å; E81-R84 PolarHBondContact O-N 3.05Å; E81-R84 IonicContact OE1-CZ 3.34Å; E81-R84 IonicContact OE1-NE 3Å; E81-R84 IonicContact OE1-NH2 2.59Å; E81-R84 PolarHBondContact OE1-NH2 3.29Å; E81-R84 IonicContact OE2-CZ 3.72Å; E81-R84 VanDerWaalsContact OE2-CZ 3.31Å; E81-R84 IonicContact OE2-NE 3.13Å; E81-R84 PolarHBondContact OE2-NE 2.85Å; E81-R84 IonicContact OE2-NH2 3.04Å; E81-R84 PolarHBondContact OE2-NH2 2.97Å; R84-T88 WeakPolarHBondContact O-CB 3.39Å; R84-T88 PolarHBondContact O-N 2.81Å; R84-T88 PolarHBondContact O-OG1 3.1Å; R84-H124 WeakPolarHBondContact CA-NE2 3.37Å; R84-H124 PolarHBondContact N-CD2 3.21Å; R84-H124 PolarHBondContact N-NE2 3.17Å
85I92.4Very high89.7Confident11 Ų1160.5 Ų60.56%0.05629%0.285CS..Hα-helixtrans-60.6-50.4177.3-69.9166.2000110.1I36 E81 F82 T83 T88 L89I36-I85 HydrophobicContact CG2-CG2 4.13Å; E81-I85 HydrophobicContact CG-CD1 4.16Å; E81-I85 VanDerWaalsContact O-CG1 3.3Å; E81-I85 WeakPolarHBondContact O-CG1 3.32Å; E81-I85 PolarHBondContact O-N 3.04Å; F82-I85 PolarHBondContact O-N 3.22Å; T83-I85 PolarHBondContact O-N 3.09Å; I85-T88 PolarHBondContact O-N 3.01Å; I85-L89 HydrophobicContact CG2-CD1 3.9Å; I85-L89 WeakPolarHBondContact O-CG 3.48Å; I85-L89 PolarHBondContact O-N 3.35Å
86L94.2Very high88.7Confident0 Ų064.2 Ų64.20%030%0.301CS..Hα-helixtrans-62.3-45.9-179.9-65-176.2000111.9I36 F82 T83 T88 L89 S90 I104 L107 I108 L111 F121I36-L86 HydrophobicContact CG2-CD2 4.29Å; F82-L86 HydrophobicContact CD1-CD1 4.01Å; F82-L86 HydrophobicContact CE1-CD1 3.38Å; F82-L86 HydrophobicContact CE1-CG 4.28Å; F82-L86 HydrophobicContact CE2-CD1 4.48Å; F82-L86 HydrophobicContact CZ-CD1 3.66Å; F82-L86 HydrophobicContact CZ-CG 4.35Å; F82-L86 WeakPolarHBondContact O-CG 3.35Å; F82-L86 PolarHBondContact O-N 3.41Å; F82-L86 VanDerWaalsContact O-N 3.16Å; T83-L86 PolarHBondContact O-N 3.34Å; L86-T88 VanDerWaalsContact C-N 3.35Å; L86-T88 PolarHBondContact O-N 3.46Å; L86-L89 PolarHBondContact O-N 2.95Å; L86-S90 WeakPolarHBondContact O-CB 3.38Å; L86-S90 PolarHBondContact O-N 3.1Å; L86-I104 HydrophobicContact CB-CG2 4.1Å; L86-I104 HydrophobicContact CD2-CD1 3.62Å; L86-I104 HydrophobicContact CD2-CG2 4.2Å; L86-I104 WeakPolarHBondContact O-CG2 3.45Å; L86-L107 HydrophobicContact CD1-CD2 3.88Å; L86-L107 HydrophobicContact CD1-CG 4.29Å; L86-L107 HydrophobicContact CD2-CD2 4.08Å; L86-I108 HydrophobicContact CB-CD1 4.11Å; L86-I108 HydrophobicContact CB-CG1 4.13Å; L86-L111 HydrophobicContact CD1-CD1 3.91Å; L86-F121 HydrophobicContact CB-CE1 4.11Å; L86-F121 HydrophobicContact CB-CZ 4.32Å; L86-F121 HydrophobicContact CD1-CZ 4.05Å
87A94.2Very high88Confident2 Ų260.1 Ų60.12%0.01728%0.282CS..Hα-helixtrans-59.2-46.9177.400000111.2T83 L89 S90 L91 H124 F125T83-A87 WeakPolarHBondContact O-CB 3.48Å; T83-A87 PolarHBondContact O-N 3.34Å; A87-L89 PolarHBondContact O-N 2.7Å; A87-S90 PolarHBondContact O-N 3.44Å; A87-S90 PolarHBondContact O-OG 3.43Å; A87-L91 WeakPolarHBondContact O-CB 3.13Å; A87-L91 WeakPolarHBondContact O-CG 3.47Å; A87-L91 PolarHBondContact O-N 3.43Å; A87-H124 HydrophobicContact CB-CB 3.5Å; A87-F125 HydrophobicContact CB-CE2 4.15Å; A87-F125 HydrophobicContact CB-CZ 4.36Å
88T91.5Very high87.6Confident61 Ų6155.1 Ų55.137%0.37427%0.266SS..Hα-helixtrans-58.5-45.1177.9-57.30000112R84 I85 L86 L91 N92R84-T88 WeakPolarHBondContact O-CB 3.39Å; R84-T88 PolarHBondContact O-N 2.81Å; R84-T88 PolarHBondContact O-OG1 3.1Å; I85-T88 PolarHBondContact O-N 3.01Å; L86-T88 VanDerWaalsContact C-N 3.35Å; L86-T88 PolarHBondContact O-N 3.46Å; T88-L91 PolarHBondContact O-N 3.08Å; T88-N92 PolarHBondContact O-N 2.67Å
89L91.3Very high87.4Confident11 Ų1156.7 Ų56.76%0.05828%0.28CS..Hα-helixtrans-68.9-37.6178.9-70.2173.2000112.3L41 A44 F49 I85 L86 A87 L91 N92 I104L41-L89 HydrophobicContact CD2-CD2 4.2Å; L41-L89 HydrophobicContact CG-CD2 4.33Å; A44-L89 HydrophobicContact CB-CD1 4.43Å; A44-L89 HydrophobicContact CB-CD2 3.85Å; F49-L89 HydrophobicContact CE1-CD1 4.01Å; F49-L89 HydrophobicContact CE2-CD1 4.39Å; F49-L89 HydrophobicContact CZ-CD1 3.44Å; F49-L89 VanDerWaalsContact CZ-CD1 3.44Å; I85-L89 HydrophobicContact CG2-CD1 3.9Å; I85-L89 WeakPolarHBondContact O-CG 3.48Å; I85-L89 PolarHBondContact O-N 3.35Å; L86-L89 PolarHBondContact O-N 2.95Å; A87-L89 PolarHBondContact O-N 2.7Å; L89-L91 VanDerWaalsContact C-N 3.32Å; L89-L91 PolarHBondContact O-N 2.93Å; L89-N92 WeakPolarHBondContact O-CB 3.31Å; L89-N92 PolarHBondContact O-N 2.89Å; L89-I104 HydrophobicContact CB-CG1 4.24Å; L89-I104 HydrophobicContact CB-CG2 4.41Å; L89-I104 HydrophobicContact CD1-CD1 4.31Å
90S92.9Very high87.2Confident1 Ų155.3 Ų55.31%0.00728%0.275CS..Hα-helixtrans-64.1-38177.475.50000112.3L86 A87 N92 F125 F143L86-S90 WeakPolarHBondContact O-CB 3.38Å; L86-S90 PolarHBondContact O-N 3.1Å; A87-S90 PolarHBondContact O-N 3.44Å; A87-S90 PolarHBondContact O-OG 3.43Å; S90-N92 VanDerWaalsContact C-N 3.3Å; S90-N92 PolarHBondContact O-N 3.28Å; S90-F125 WeakPolarHBondContact OG-CZ 3.09Å; S90-F143 WeakPolarHBondContact O-CZ 3.41Å
91L90.9Very high87.1Confident45 Ų4552.9 Ų52.924%0.23627%0.266CS..THydrogen-bonded Turntrans-83.2-5.5-177.9-67.4167000112.8A87 T88 L89 N93 F125 H129 I133 F143A87-L91 WeakPolarHBondContact O-CB 3.13Å; A87-L91 WeakPolarHBondContact O-CG 3.47Å; A87-L91 PolarHBondContact O-N 3.43Å; T88-L91 PolarHBondContact O-N 3.08Å; L89-L91 VanDerWaalsContact C-N 3.32Å; L89-L91 PolarHBondContact O-N 2.93Å; L91-N93 PolarHBondContact O-N 3.33Å; L91-F125 HydrophobicContact CD1-CD1 4.49Å; L91-F125 HydrophobicContact CD1-CE1 4.21Å; L91-F125 HydrophobicContact CD2-CD1 4.37Å; L91-F125 HydrophobicContact CD2-CE1 3.91Å; L91-F125 HydrophobicContact CG-CE1 4.03Å; L91-H129 WeakPolarHBondContact CD1-CD2 3.26Å; L91-I133 HydrophobicContact CD2-CD1 4.13Å; L91-I133 HydrophobicContact CD2-CG1 4.46Å; L91-F143 HydrophobicContact CD2-CE1 4.35Å; L91-F143 HydrophobicContact CD2-CZ 4.32Å
92N83.8Confident87.1Confident40 Ų4050.7 Ų50.721%0.21426%0.259CS..  trans-75.2106.1177.8-172.7-27000110.6L41 T88 L89 S90 S94L41-N92 VanDerWaalsContact CD2-ND2 3.29Å; L41-N92 WeakPolarHBondContact CD2-ND2 3.42Å; T88-N92 PolarHBondContact O-N 2.67Å; L89-N92 WeakPolarHBondContact O-CB 3.31Å; L89-N92 PolarHBondContact O-N 2.89Å; S90-N92 VanDerWaalsContact C-N 3.3Å; S90-N92 PolarHBondContact O-N 3.28Å; N92-S94 VanDerWaalsContact C-N 3.29Å; N92-S94 PolarHBondContact O-N 2.86Å; N92-S94 VanDerWaalsContact OD1-CB 3.24Å; N92-S94 WeakPolarHBondContact OD1-CB 3.46Å; N92-S94 PolarHBondContact OD1-N 3.32Å; N92-S94 PolarHBondContact OD1-OG 3.48Å
93N70.8Confident87.1Confident103 Ų10352.2 Ų52.255%0.55127%0.267SS*.  trans-85.412.7-178.4-70.5-39.9000114.8L91L91-N93 PolarHBondContact O-N 3.33Å
94S74.7Confident87.1Confident44 Ų4452.2 Ų52.231%0.30827%0.267SS..  trans-67.9139.5176.867.60000111.3N92 I96 H97 A98N92-S94 VanDerWaalsContact C-N 3.29Å; N92-S94 PolarHBondContact O-N 2.86Å; N92-S94 VanDerWaalsContact OD1-CB 3.24Å; N92-S94 WeakPolarHBondContact OD1-CB 3.46Å; N92-S94 PolarHBondContact OD1-N 3.32Å; N92-S94 PolarHBondContact OD1-OG 3.48Å; S94-I96 PolarHBondContact O-N 2.89Å; S94-H97 PolarHBondContact O-N 2.97Å; S94-H97 VanDerWaalsContact O-N 3.13Å; S94-H97 PolarHBondContact OG-CD2 3.48Å; S94-A98 PolarHBondContact O-N 3.21Å
95R73.4Confident87.3Confident241 Ų24147.7 Ų47.791%0.90925%0.25SC*.G310 helixtrans-60-32.6-177.9-69.4-176.4179.3-176.2-0.2113.3H97 A98R95-H97 PolarHBondContact O-N 3.29Å; R95-A98 PolarHBondContact O-N 3.26Å
96I72.2Confident87.5Confident138 Ų13850.8 Ų50.871%0.70827%0.267SS*.G310 helixtrans-65.9-28.5-177.8-52.2177.5000110.9L45 S94L45-I96 HydrophobicContact CD1-CG2 3.64Å; S94-I96 PolarHBondContact O-N 2.89Å
97H78.8Confident87.7Confident29 Ų2950.8 Ų50.813%0.13427%0.267CS..G310 helixtrans-105.210.7-176.5-63.3-72.6000113.5L45 S94 R95 D99 L100 A101L45-H97 WeakPolarHBondContact CD1-CE1 3.39Å; L45-H97 WeakPolarHBondContact CD2-ND1 3.05Å; L45-H97 WeakPolarHBondContact CG-CE1 3.43Å; L45-H97 VanDerWaalsContact CG-ND1 3.32Å; L45-H97 WeakPolarHBondContact CG-ND1 3.3Å; S94-H97 PolarHBondContact O-N 2.97Å; S94-H97 VanDerWaalsContact O-N 3.13Å; S94-H97 PolarHBondContact OG-CD2 3.48Å; R95-H97 PolarHBondContact O-N 3.29Å; H97-D99 PolarHBondContact O-N 3.1Å; H97-L100 PolarHBondContact O-N 3.2Å; H97-A101 WeakPolarHBondContact O-CB 2.92Å; H97-A101 PolarHBondContact O-N 3.31Å
98A83.6Confident87.9Confident45 Ų4550.7 Ų50.737%0.37227%0.266SS..Hα-helixtrans-60.6-43-172.100000114.1S94 R95 A101 S102S94-A98 PolarHBondContact O-N 3.21Å; R95-A98 PolarHBondContact O-N 3.26Å; A98-A101 PolarHBondContact O-N 2.99Å; A98-S102 PolarHBondContact O-N 3.39Å; A98-S102 VanDerWaalsContact O-N 3.12Å
99D88.3Confident88.2Confident138 Ų13848.9 Ų48.974%0.73826%0.256SS*.Hα-helixtrans-67.9-40177.6-67-22000111.3H97 S102 L103H97-D99 PolarHBondContact O-N 3.1Å; D99-S102 WeakPolarHBondContact O-CB 3.35Å; D99-S102 PolarHBondContact O-N 3.17Å; D99-L103 WeakPolarHBondContact O-CG 3.09Å; D99-L103 PolarHBondContact O-N 3.41Å; D99-L103 VanDerWaalsContact O-N 3.11Å
100L89.9Confident88.5Confident8 Ų849.6 Ų49.64%0.04226%0.26CS..Hα-helixtrans-64.6-46176.2179.667.7000111.2A44 F49 V50 H97 S102 L103 I104A44-L100 HydrophobicContact CB-CD2 3.76Å; A44-L100 WeakPolarHBondContact O-CD2 3.41Å; F49-L100 HydrophobicContact CD1-CD1 3.89Å; F49-L100 HydrophobicContact CD1-CD2 4.34Å; F49-L100 HydrophobicContact CE1-CD1 3.76Å; F49-L100 HydrophobicContact CE1-CD2 4.04Å; F49-L100 HydrophobicContact CE1-CG 4.41Å; V50-L100 HydrophobicContact CG2-CD1 4.25Å; H97-L100 PolarHBondContact O-N 3.2Å; L100-S102 PolarHBondContact O-N 2.88Å; L100-L103 WeakPolarHBondContact O-CB 3.5Å; L100-L103 PolarHBondContact O-N 3.28Å; L100-L103 VanDerWaalsContact O-N 3.07Å; L100-I104 HydrophobicContact CD1-CG1 4.25Å; L100-I104 HydrophobicContact CG-CG1 4.18Å; L100-I104 VanDerWaalsContact O-CG1 3.25Å; L100-I104 WeakPolarHBondContact O-CG1 3.33Å; L100-I104 PolarHBondContact O-N 2.89Å
101A91.3Very high88.7Confident11 Ų1149.6 Ų49.69%0.09126%0.26CS..Hα-helixtrans-56.3-39.6176.800000110.7H97 A98 I104 I105H97-A101 WeakPolarHBondContact O-CB 2.92Å; H97-A101 PolarHBondContact O-N 3.31Å; A98-A101 PolarHBondContact O-N 2.99Å; A101-I104 PolarHBondContact O-N 3.3Å; A101-I105 WeakPolarHBondContact O-CB 3.3Å; A101-I105 WeakPolarHBondContact O-CD1 3.36Å; A101-I105 WeakPolarHBondContact O-CG1 3.47Å; A101-I105 PolarHBondContact O-N 2.84Å
102S92.7Very high89Confident31 Ų3147.4 Ų47.422%0.21725%0.248CC..Hα-helixtrans-59.9-48.7174-150.10000112.3A98 D99 L100 I104 I105 D106A98-S102 PolarHBondContact O-N 3.39Å; A98-S102 VanDerWaalsContact O-N 3.12Å; D99-S102 WeakPolarHBondContact O-CB 3.35Å; D99-S102 PolarHBondContact O-N 3.17Å; L100-S102 PolarHBondContact O-N 2.88Å; S102-I104 VanDerWaalsContact C-N 3.31Å; S102-I104 PolarHBondContact O-N 3.42Å; S102-I105 WeakPolarHBondContact O-CB 3.49Å; S102-I105 PolarHBondContact O-N 3.29Å; S102-D106 VanDerWaalsContact O-CG 3.32Å; S102-D106 PolarHBondContact O-N 3.08Å
103L94.5Very high89.6Confident36 Ų3651.6 Ų51.619%0.18826%0.261CS..Hα-helixtrans-61.9-39177.1-66.3173.3000112.3V50 V53 K54 I57 D99 L100 D106 L107V50-L103 HydrophobicContact CG1-CD1 3.99Å; V53-L103 HydrophobicContact CG1-CB 3.83Å; K54-L103 HydrophobicContact CG-CD1 4.13Å; K54-L103 HydrophobicContact CG-CD2 4.22Å; I57-L103 HydrophobicContact CD1-CB 4.04Å; I57-L103 HydrophobicContact CD1-CD2 3.86Å; I57-L103 VanDerWaalsContact CD1-O 3.31Å; I57-L103 WeakPolarHBondContact CD1-O 3.32Å; D99-L103 WeakPolarHBondContact O-CG 3.09Å; D99-L103 PolarHBondContact O-N 3.41Å; D99-L103 VanDerWaalsContact O-N 3.11Å; L100-L103 WeakPolarHBondContact O-CB 3.5Å; L100-L103 PolarHBondContact O-N 3.28Å; L100-L103 VanDerWaalsContact O-N 3.07Å; L103-D106 PolarHBondContact O-N 3.18Å; L103-L107 PolarHBondContact O-N 2.93Å
104I95.4Very high90.6Very high0 Ų048.2 Ų48.20%024%0.243CC..Hα-helixtrans-67.2-40.3177.7-62.5-72.6000110.4F49 V53 L86 L89 L100 A101 S102 D106 L107 I108F49-I104 HydrophobicContact CE1-CD1 4.22Å; F49-I104 HydrophobicContact CZ-CD1 4.45Å; V53-I104 HydrophobicContact CB-CD1 4.49Å; V53-I104 HydrophobicContact CG1-CD1 3.94Å; V53-I104 HydrophobicContact CG2-CD1 3.66Å; L86-I104 HydrophobicContact CB-CG2 4.1Å; L86-I104 HydrophobicContact CD2-CD1 3.62Å; L86-I104 HydrophobicContact CD2-CG2 4.2Å; L86-I104 WeakPolarHBondContact O-CG2 3.45Å; L89-I104 HydrophobicContact CB-CG1 4.24Å; L89-I104 HydrophobicContact CB-CG2 4.41Å; L89-I104 HydrophobicContact CD1-CD1 4.31Å; L100-I104 HydrophobicContact CD1-CG1 4.25Å; L100-I104 HydrophobicContact CG-CG1 4.18Å; L100-I104 VanDerWaalsContact O-CG1 3.25Å; L100-I104 WeakPolarHBondContact O-CG1 3.33Å; L100-I104 PolarHBondContact O-N 2.89Å; A101-I104 PolarHBondContact O-N 3.3Å; S102-I104 VanDerWaalsContact C-N 3.31Å; S102-I104 PolarHBondContact O-N 3.42Å; I104-D106 VanDerWaalsContact C-N 3.34Å; I104-D106 PolarHBondContact O-N 3.11Å; I104-L107 PolarHBondContact O-N 3.03Å; I104-I108 HydrophobicContact CG2-CD1 3.84Å; I104-I108 HydrophobicContact CG2-CG1 4.28Å; I104-I108 VanDerWaalsContact O-CG1 3.25Å; I104-I108 WeakPolarHBondContact O-CG1 3.5Å; I104-I108 PolarHBondContact O-N 3.02Å
105I96.3Very high91.4Very high6 Ų650.9 Ų50.93%0.03126%0.259CS..Hα-helixtrans-60.1-45174.7-72.4162.9000110.7A101 S102 L107 I108 S109 K142 F143 I146A101-I105 WeakPolarHBondContact O-CB 3.3Å; A101-I105 WeakPolarHBondContact O-CD1 3.36Å; A101-I105 WeakPolarHBondContact O-CG1 3.47Å; A101-I105 PolarHBondContact O-N 2.84Å; S102-I105 WeakPolarHBondContact O-CB 3.49Å; S102-I105 PolarHBondContact O-N 3.29Å; I105-L107 VanDerWaalsContact C-N 3.31Å; I105-L107 PolarHBondContact O-N 2.91Å; I105-I108 PolarHBondContact O-N 2.71Å; I105-S109 WeakPolarHBondContact O-CB 3.35Å; I105-S109 PolarHBondContact O-N 3Å; I105-K142 HydrophobicContact CD1-CB 4.18Å; I105-K142 HydrophobicContact CG2-CB 4.5Å; I105-K142 WeakPolarHBondContact CG2-O 3.38Å; I105-F143 HydrophobicContact CD1-CD2 3.95Å; I105-F143 HydrophobicContact CD1-CE1 4.12Å; I105-F143 HydrophobicContact CD1-CE2 3.45Å; I105-F143 VanDerWaalsContact CD1-CE2 3.45Å; I105-F143 HydrophobicContact CD1-CG 4.49Å; I105-F143 HydrophobicContact CD1-CZ 3.55Å; I105-F143 HydrophobicContact CG1-CD1 4.42Å; I105-F143 HydrophobicContact CG1-CE1 3.93Å; I105-F143 HydrophobicContact CG1-CE2 4.19Å; I105-F143 HydrophobicContact CG1-CZ 3.82Å; I105-I146 HydrophobicContact CB-CD1 4.27Å; I105-I146 HydrophobicContact CG1-CD1 4.37Å; I105-I146 HydrophobicContact CG2-CD1 3.84Å
106D97.3Very high92.2Very high76 Ų7641.2 Ų41.241%0.40623%0.227SC..Hα-helixtrans-60.7-41.5176.8-64.3-26.1000111.4I57 S102 L103 I104 S109 N110I57-D106 HydrophobicContact CD1-CB 4.12Å; I57-D106 HydrophobicContact CG1-CB 4.43Å; S102-D106 VanDerWaalsContact O-CG 3.32Å; S102-D106 PolarHBondContact O-N 3.08Å; L103-D106 PolarHBondContact O-N 3.18Å; I104-D106 VanDerWaalsContact C-N 3.34Å; I104-D106 PolarHBondContact O-N 3.11Å; D106-S109 WeakPolarHBondContact O-CB 3.29Å; D106-S109 PolarHBondContact O-N 3.26Å; D106-N110 PolarHBondContact O-N 3.35Å
107L97.5Very high93.3Very high0 Ų034.6 Ų34.60%019%0.193CC..Hα-helixtrans-63.8-47.4175.2176.556.2000112V53 L56 I57 C60 L86 L103 I104 I105 S109 N110 L111V53-L107 HydrophobicContact CG1-CD2 4.37Å; L56-L107 HydrophobicContact CB-CD1 3.64Å; L56-L107 HydrophobicContact CB-CD2 3.92Å; L56-L107 HydrophobicContact CB-CG 4.45Å; L56-L107 HydrophobicContact CD1-CD2 3.88Å; I57-L107 HydrophobicContact CG1-CB 3.85Å; C60-L107 HydrophobicContact CB-CD1 4.15Å; L86-L107 HydrophobicContact CD1-CD2 3.88Å; L86-L107 HydrophobicContact CD1-CG 4.29Å; L86-L107 HydrophobicContact CD2-CD2 4.08Å; L103-L107 PolarHBondContact O-N 2.93Å; I104-L107 PolarHBondContact O-N 3.03Å; I105-L107 VanDerWaalsContact C-N 3.31Å; I105-L107 PolarHBondContact O-N 2.91Å; L107-S109 VanDerWaalsContact C-N 3.3Å; L107-S109 PolarHBondContact O-N 3.49Å; L107-N110 WeakPolarHBondContact O-CB 3.39Å; L107-N110 PolarHBondContact O-N 2.8Å; L107-L111 HydrophobicContact CD1-CD1 4.03Å; L107-L111 HydrophobicContact CD1-CG 4.08Å; L107-L111 HydrophobicContact CG-CD1 3.97Å; L107-L111 HydrophobicContact CG-CG 4.46Å; L107-L111 WeakPolarHBondContact O-CG 3.31Å; L107-L111 PolarHBondContact O-N 3.39Å
108I98Very high94.1Very high0 Ų034.1 Ų34.10%019%0.191CC..Hα-helixtrans-62.8-40.9179-64.6170.8000110.2L86 I104 I105 N110 L111 T112 F121 F125 I146L86-I108 HydrophobicContact CB-CD1 4.11Å; L86-I108 HydrophobicContact CB-CG1 4.13Å; I104-I108 HydrophobicContact CG2-CD1 3.84Å; I104-I108 HydrophobicContact CG2-CG1 4.28Å; I104-I108 VanDerWaalsContact O-CG1 3.25Å; I104-I108 WeakPolarHBondContact O-CG1 3.5Å; I104-I108 PolarHBondContact O-N 3.02Å; I105-I108 PolarHBondContact O-N 2.71Å; I108-N110 VanDerWaalsContact C-N 3.3Å; I108-N110 PolarHBondContact O-N 2.85Å; I108-L111 PolarHBondContact O-N 2.87Å; I108-T112 HydrophobicContact CG2-CG2 3.88Å; I108-T112 WeakPolarHBondContact O-CB 3.33Å; I108-T112 VanDerWaalsContact O-CG2 3.31Å; I108-T112 WeakPolarHBondContact O-CG2 3.18Å; I108-T112 PolarHBondContact O-N 3.24Å; I108-T112 PolarHBondContact O-OG1 3.19Å; I108-F121 HydrophobicContact CB-CE1 4.34Å; I108-F121 HydrophobicContact CB-CZ 4.26Å; I108-F121 HydrophobicContact CD1-CE1 3.9Å; I108-F121 HydrophobicContact CD1-CZ 4.47Å; I108-F121 HydrophobicContact CG1-CD1 4.44Å; I108-F121 HydrophobicContact CG1-CE1 3.63Å; I108-F121 HydrophobicContact CG1-CZ 3.7Å; I108-F121 HydrophobicContact CG2-CD1 3.91Å; I108-F121 HydrophobicContact CG2-CD2 4.2Å; I108-F121 HydrophobicContact CG2-CE1 3.87Å; I108-F121 HydrophobicContact CG2-CE2 4.16Å; I108-F121 HydrophobicContact CG2-CG 4.08Å; I108-F121 HydrophobicContact CG2-CZ 3.99Å; I108-F125 HydrophobicContact CD1-CE2 4.2Å; I108-F125 HydrophobicContact CD1-CZ 4.06Å; I108-F125 HydrophobicContact CG2-CE2 4.1Å; I108-I146 HydrophobicContact CB-CD1 3.77Å; I108-I146 HydrophobicContact CB-CG1 4.27Å; I108-I146 HydrophobicContact CG2-CD1 3.65Å; I108-I146 HydrophobicContact CG2-CG1 3.9Å; I108-I146 HydrophobicContact CG2-CG2 4.08Å
109S97.8Very high94.5Very high23 Ų2334.7 Ų34.716%0.16119%0.193CC..Hα-helixtrans-55.9-46.2174178.10000111.2I105 D106 L107 T112 P145 N149I105-S109 WeakPolarHBondContact O-CB 3.35Å; I105-S109 PolarHBondContact O-N 3Å; D106-S109 WeakPolarHBondContact O-CB 3.29Å; D106-S109 PolarHBondContact O-N 3.26Å; L107-S109 VanDerWaalsContact C-N 3.3Å; L107-S109 PolarHBondContact O-N 3.49Å; S109-T112 PolarHBondContact O-OG1 3.45Å; S109-P145 VanDerWaalsContact OG-CB 3.23Å; S109-P145 WeakPolarHBondContact OG-CB 3.34Å; S109-N149 PolarHBondContact O-ND2 2.81Å; S109-N149 VanDerWaalsContact O-ND2 3.09Å
110N97.8Very high94.8Very high27 Ų2728.8 Ų28.814%0.14416%0.16CC..Hα-helixtrans-62.9-44.8177.4-84.5-6.5000113I57 C60 D106 L107 I108 R113I57-N110 PolarHBondContact O-ND2 3.18Å; C60-N110 HydrophobicContact CB-CB 4.33Å; C60-N110 WeakPolarHBondContact O-CB 3.38Å; D106-N110 PolarHBondContact O-N 3.35Å; L107-N110 WeakPolarHBondContact O-CB 3.39Å; L107-N110 PolarHBondContact O-N 2.8Å; I108-N110 VanDerWaalsContact C-N 3.3Å; I108-N110 PolarHBondContact O-N 2.85Å; N110-R113 PolarHBondContact O-NE 3.46Å; N110-R113 VanDerWaalsContact O-NE 3.15Å
111L97.9Very high95.1Very high0 Ų028.4 Ų28.40%016%0.158CC..Hα-helixtrans-66.5-44-179.9-68.1170.1000112.2C60 T66 L69 F82 L86 L107 I108 R113 D114 W117 F121C60-L111 HydrophobicContact CB-CD2 4Å; T66-L111 HydrophobicContact CG2-CD2 4.29Å; L69-L111 HydrophobicContact CD2-CD2 3.61Å; F82-L111 HydrophobicContact CE1-CD1 4.13Å; L86-L111 HydrophobicContact CD1-CD1 3.91Å; L107-L111 HydrophobicContact CD1-CD1 4.03Å; L107-L111 HydrophobicContact CD1-CG 4.08Å; L107-L111 HydrophobicContact CG-CD1 3.97Å; L107-L111 HydrophobicContact CG-CG 4.46Å; L107-L111 WeakPolarHBondContact O-CG 3.31Å; L107-L111 PolarHBondContact O-N 3.39Å; I108-L111 PolarHBondContact O-N 2.87Å; L111-R113 PolarHBondContact O-N 3.17Å; L111-R113 VanDerWaalsContact O-N 3.08Å; L111-D114 PolarHBondContact O-N 3.39Å; L111-D114 VanDerWaalsContact O-N 3.08Å; L111-W117 HydrophobicContact CB-CB 4.14Å; L111-W117 HydrophobicContact CB-CG 4.05Å; L111-W117 HydrophobicContact CD2-CD2 4.29Å; L111-W117 HydrophobicContact CD2-CG 4.42Å; L111-W117 WeakPolarHBondContact O-CB 3.39Å; L111-F121 HydrophobicContact CB-CE2 3.87Å; L111-F121 HydrophobicContact CD1-CE2 3.85Å; L111-F121 HydrophobicContact CD1-CZ 3.93Å
112T97.5Very high95.2Very high0 Ų028.6 Ų28.60%016%0.162CC..THydrogen-bonded Turntrans-70.7-0.2-176.5520000114.1I108 S109 I118 F121 N149 L150I108-T112 HydrophobicContact CG2-CG2 3.88Å; I108-T112 WeakPolarHBondContact O-CB 3.33Å; I108-T112 VanDerWaalsContact O-CG2 3.31Å; I108-T112 WeakPolarHBondContact O-CG2 3.18Å; I108-T112 PolarHBondContact O-N 3.24Å; I108-T112 PolarHBondContact O-OG1 3.19Å; S109-T112 PolarHBondContact O-OG1 3.45Å; T112-I118 WeakPolarHBondContact O-CD1 3.4Å; T112-I118 WeakPolarHBondContact O-CG1 3.44Å; T112-F121 HydrophobicContact CG2-CB 3.95Å; T112-F121 HydrophobicContact CG2-CD2 3.49Å; T112-F121 VanDerWaalsContact CG2-CD2 3.49Å; T112-F121 HydrophobicContact CG2-CE2 4.26Å; T112-F121 HydrophobicContact CG2-CG 3.92Å; T112-N149 WeakPolarHBondContact O-CB 3.41Å; T112-N149 PolarHBondContact OG1-ND2 3.4Å; T112-L150 HydrophobicContact CG2-CD2 4.22Å
113R95.4Very high95.1Very high127 Ų12733 Ų3348%0.47918%0.179SC..THydrogen-bonded Turntrans-72.1-19.6166.6-66.7178.1-62.5166.35.3112.8C60 S61 N110 L111C60-R113 PolarHBondContact O-NH2 3.26Å; S61-R113 VanDerWaalsContact CA-NH2 3.29Å; S61-R113 PolarHBondContact O-NH1 3.02Å; S61-R113 PolarHBondContact O-NH2 3.13Å; N110-R113 PolarHBondContact O-NE 3.46Å; N110-R113 VanDerWaalsContact O-NE 3.15Å; L111-R113 PolarHBondContact O-N 3.17Å; L111-R113 VanDerWaalsContact O-N 3.08Å
114D92.8Very high95.1Very high32 Ų3233.3 Ų33.317%0.17118%0.179CC..SBendtrans-100.3125.2177172.3-14.4000109.8L111 V116 W117 I118L111-D114 PolarHBondContact O-N 3.39Å; L111-D114 VanDerWaalsContact O-N 3.08Å; D114-V116 PolarHBondContact O-N 3.41Å; D114-V116 WeakPolarHBondContact OD1-CB 3.49Å; D114-V116 WeakPolarHBondContact OD1-CG2 3.46Å; D114-V116 PolarHBondContact OD1-N 3.43Å; D114-W117 PolarHBondContact O-N 2.86Å; D114-I118 PolarHBondContact O-N 3.38Å
115P90.7Very high95.1Very high100 Ų10033.4 Ų33.465%0.64918%0.18SC*.Hα-helixtrans-51.9-28.9-178.5-29.135.6000115.4W117 I118 S119P115-W117 VanDerWaalsContact C-N 3.28Å; P115-W117 PolarHBondContact O-N 3.47Å; P115-I118 PolarHBondContact O-N 3.34Å; P115-S119 PolarHBondContact O-N 3.48Å
116V89.8Confident94.8Very high38 Ų3836.4 Ų36.423%0.2320%0.196CC..Hα-helixtrans-62.4-38178.3176.30000111.4K70 D114 S119 H120K70-V116 HydrophobicContact CD-CG1 3.85Å; K70-V116 HydrophobicContact CD-CG2 4.29Å; K70-V116 HydrophobicContact CG-CG1 4.29Å; D114-V116 PolarHBondContact O-N 3.41Å; D114-V116 WeakPolarHBondContact OD1-CB 3.49Å; D114-V116 WeakPolarHBondContact OD1-CG2 3.46Å; D114-V116 PolarHBondContact OD1-N 3.43Å; V116-S119 PolarHBondContact O-OG 3.05Å; V116-S119 VanDerWaalsContact O-OG 3.12Å; V116-H120 PolarHBondContact O-CD2 3.31Å; V116-H120 VanDerWaalsContact O-CD2 3.27Å
117W95.7Very high94.5Very high0 Ų036 Ų360%019%0.194CC..Hα-helixtrans-84.8-27.1-180-61.8106.3000112L69 K70 L73 R79 F82 T83 L111 D114 P115 S119 H120 F121L69-W117 HydrophobicContact CB-CZ2 4.36Å; L69-W117 HydrophobicContact CD2-CH2 4.32Å; L69-W117 HydrophobicContact CD2-CZ2 4.08Å; L69-W117 HydrophobicContact CG-CH2 4.21Å; L69-W117 HydrophobicContact CG-CZ2 3.99Å; K70-W117 HydrophobicContact CB-CZ2 3.95Å; L73-W117 HydrophobicContact CD1-CH2 3.69Å; L73-W117 HydrophobicContact CD1-CZ3 4.31Å; R79-W117 HydrophobicContact CB-CZ3 4.13Å; R79-W117 HydrophobicContact CG-CH2 3.98Å; R79-W117 HydrophobicContact CG-CZ3 4.04Å; F82-W117 HydrophobicContact CD1-CZ3 4.29Å; T83-W117 HydrophobicContact CG2-CE3 3.71Å; T83-W117 HydrophobicContact CG2-CZ3 3.9Å; L111-W117 HydrophobicContact CB-CB 4.14Å; L111-W117 HydrophobicContact CB-CG 4.05Å; L111-W117 HydrophobicContact CD2-CD2 4.29Å; L111-W117 HydrophobicContact CD2-CG 4.42Å; L111-W117 WeakPolarHBondContact O-CB 3.39Å; D114-W117 PolarHBondContact O-N 2.86Å; P115-W117 VanDerWaalsContact C-N 3.28Å; P115-W117 PolarHBondContact O-N 3.47Å; W117-S119 VanDerWaalsContact C-N 3.31Å; W117-S119 PolarHBondContact O-N 3.08Å; W117-H120 PolarHBondContact O-N 3.4Å; W117-F121 HydrophobicContact CB-CD2 4.12Å; W117-F121 HydrophobicContact CB-CE2 4.29Å; W117-F121 VanDerWaalsContact O-CD2 3.29Å; W117-F121 WeakPolarHBondContact O-CD2 3.48Å; W117-F121 PolarHBondContact O-N 2.82Å
118I95.5Very high94.3Very high18 Ų1843.1 Ų43.19%0.09223%0.225CC..Hα-helixtrans-56.3-45.5176.8-66.5178.8000111T112 D114 P115 G122 L150 L153T112-I118 WeakPolarHBondContact O-CD1 3.4Å; T112-I118 WeakPolarHBondContact O-CG1 3.44Å; D114-I118 PolarHBondContact O-N 3.38Å; P115-I118 PolarHBondContact O-N 3.34Å; I118-G122 PolarHBondContact O-N 3.5Å; I118-L150 HydrophobicContact CG2-CD2 4.18Å; I118-L153 HydrophobicContact CG2-CD1 3.83Å; I118-L153 HydrophobicContact CG2-CD2 3.81Å; I118-L153 HydrophobicContact CG2-CG 3.62Å
119S92.2Very high94.1Very high58 Ų5846.1 Ų46.141%0.40624%0.239SC..Hα-helixtrans-61.8-48.7179.7560000111.9P115 V116 W117 G122 E123P115-S119 PolarHBondContact O-N 3.48Å; V116-S119 PolarHBondContact O-OG 3.05Å; V116-S119 VanDerWaalsContact O-OG 3.12Å; W117-S119 VanDerWaalsContact C-N 3.31Å; W117-S119 PolarHBondContact O-N 3.08Å; S119-G122 PolarHBondContact O-N 2.82Å; S119-E123 PolarHBondContact O-N 2.85Å
120H94.3Very high93.9Very high13 Ų1345 Ų456%0.0623%0.231CC..Hα-helixtrans-62.7-45.8178.9-70.4-57000112.5R79 T83 V116 W117 G122 E123 H124R79-H120 PolarHBondContact NE-NE2 3.43Å; T83-H120 HydrophobicContact CG2-CB 3.89Å; V116-H120 PolarHBondContact O-CD2 3.31Å; V116-H120 VanDerWaalsContact O-CD2 3.27Å; W117-H120 PolarHBondContact O-N 3.4Å; H120-G122 VanDerWaalsContact C-N 3.33Å; H120-G122 PolarHBondContact O-N 3.41Å; H120-E123 PolarHBondContact O-N 3.11Å; H120-H124 PolarHBondContact O-CD2 3.42Å; H120-H124 VanDerWaalsContact O-CD2 3.27Å
121F96.6Very high93.7Very high0 Ų049.6 Ų49.60%025%0.246CC..Hα-helixtrans-69.1-31.6176.4-79.6-65.1000112.8T83 L86 I108 L111 T112 W117 E123 H124 F125 L150T83-F121 HydrophobicContact CG2-CD1 4.41Å; T83-F121 HydrophobicContact CG2-CD2 4.14Å; T83-F121 HydrophobicContact CG2-CE1 4.04Å; T83-F121 HydrophobicContact CG2-CE2 3.74Å; T83-F121 HydrophobicContact CG2-CG 4.46Å; T83-F121 HydrophobicContact CG2-CZ 3.69Å; L86-F121 HydrophobicContact CB-CE1 4.11Å; L86-F121 HydrophobicContact CB-CZ 4.32Å; L86-F121 HydrophobicContact CD1-CZ 4.05Å; I108-F121 HydrophobicContact CB-CE1 4.34Å; I108-F121 HydrophobicContact CB-CZ 4.26Å; I108-F121 HydrophobicContact CD1-CE1 3.9Å; I108-F121 HydrophobicContact CD1-CZ 4.47Å; I108-F121 HydrophobicContact CG1-CD1 4.44Å; I108-F121 HydrophobicContact CG1-CE1 3.63Å; I108-F121 HydrophobicContact CG1-CZ 3.7Å; I108-F121 HydrophobicContact CG2-CD1 3.91Å; I108-F121 HydrophobicContact CG2-CD2 4.2Å; I108-F121 HydrophobicContact CG2-CE1 3.87Å; I108-F121 HydrophobicContact CG2-CE2 4.16Å; I108-F121 HydrophobicContact CG2-CG 4.08Å; I108-F121 HydrophobicContact CG2-CZ 3.99Å; L111-F121 HydrophobicContact CB-CE2 3.87Å; L111-F121 HydrophobicContact CD1-CE2 3.85Å; L111-F121 HydrophobicContact CD1-CZ 3.93Å; T112-F121 HydrophobicContact CG2-CB 3.95Å; T112-F121 HydrophobicContact CG2-CD2 3.49Å; T112-F121 VanDerWaalsContact CG2-CD2 3.49Å; T112-F121 HydrophobicContact CG2-CE2 4.26Å; T112-F121 HydrophobicContact CG2-CG 3.92Å; W117-F121 HydrophobicContact CB-CD2 4.12Å; W117-F121 HydrophobicContact CB-CE2 4.29Å; W117-F121 VanDerWaalsContact O-CD2 3.29Å; W117-F121 WeakPolarHBondContact O-CD2 3.48Å; W117-F121 PolarHBondContact O-N 2.82Å; F121-E123 PolarHBondContact O-N 3.4Å; F121-H124 PolarHBondContact O-N 3.29Å; F121-F125 HydrophobicContact CB-CD2 4.17Å; F121-F125 HydrophobicContact CB-CE2 4.48Å; F121-F125 HydrophobicContact CD1-CD2 4.28Å; F121-F125 AromaticContact CD1-CE2 3.86Å; F121-F125 HydrophobicContact CD1-CE2 3.86Å; F121-F125 WeakPolarHBondContact O-CD2 3.48Å; F121-F125 PolarHBondContact O-N 2.82Å; F121-L150 HydrophobicContact CB-CD2 4.13Å
122G93.6Very high93.5Very high16 Ų1652.7 Ų52.717%0.16527%0.268CS..Hα-helixtrans-60.6-29.6175.900000113.6I118 S119 H120 H124I118-G122 PolarHBondContact O-N 3.5Å; S119-G122 PolarHBondContact O-N 2.82Å; H120-G122 VanDerWaalsContact C-N 3.33Å; H120-G122 PolarHBondContact O-N 3.41Å; G122-H124 VanDerWaalsContact C-N 3.33Å
123E91.5Very high93.4Very high123 Ų12352.8 Ų52.858%0.57527%0.268SS*.Hα-helixtrans-71.3-27.4173.9-67.5175.4-174.100112.7S119 H120 F121S119-E123 PolarHBondContact O-N 2.85Å; H120-E123 PolarHBondContact O-N 3.11Å; F121-E123 PolarHBondContact O-N 3.4Å
124H93.7Very high93.3Very high42 Ų4247.1 Ų47.119%0.19425%0.247CC..Hα-helixtrans-95.2-32.6-179.3-59.1-45.5000113.3T83 R84 A87 H120 F121 G122 D126 H129T83-H124 PolarHBondContact OG1-NE2 2.91Å; R84-H124 WeakPolarHBondContact CA-NE2 3.37Å; R84-H124 PolarHBondContact N-CD2 3.21Å; R84-H124 PolarHBondContact N-NE2 3.17Å; A87-H124 HydrophobicContact CB-CB 3.5Å; H120-H124 PolarHBondContact O-CD2 3.42Å; H120-H124 VanDerWaalsContact O-CD2 3.27Å; F121-H124 PolarHBondContact O-N 3.29Å; G122-H124 VanDerWaalsContact C-N 3.33Å; H124-D126 VanDerWaalsContact C-N 3.31Å; H124-D126 PolarHBondContact O-N 3.33Å; H124-H129 PolarHBondContact O-ND1 3.19Å
125F94.8Very high93.3Very high2 Ų248.2 Ų48.21%0.00926%0.257CS..SBendtrans-92.962.5172-69.2-77.5000110.5A87 S90 L91 I108 F121 H129 I130 I133 F143 I146 L150A87-F125 HydrophobicContact CB-CE2 4.15Å; A87-F125 HydrophobicContact CB-CZ 4.36Å; S90-F125 WeakPolarHBondContact OG-CZ 3.09Å; L91-F125 HydrophobicContact CD1-CD1 4.49Å; L91-F125 HydrophobicContact CD1-CE1 4.21Å; L91-F125 HydrophobicContact CD2-CD1 4.37Å; L91-F125 HydrophobicContact CD2-CE1 3.91Å; L91-F125 HydrophobicContact CG-CE1 4.03Å; I108-F125 HydrophobicContact CD1-CE2 4.2Å; I108-F125 HydrophobicContact CD1-CZ 4.06Å; I108-F125 HydrophobicContact CG2-CE2 4.1Å; F121-F125 HydrophobicContact CB-CD2 4.17Å; F121-F125 HydrophobicContact CB-CE2 4.48Å; F121-F125 HydrophobicContact CD1-CD2 4.28Å; F121-F125 AromaticContact CD1-CE2 3.86Å; F121-F125 HydrophobicContact CD1-CE2 3.86Å; F121-F125 WeakPolarHBondContact O-CD2 3.48Å; F121-F125 PolarHBondContact O-N 2.82Å; F125-H129 HydrophobicContact CD1-CB 4.48Å; F125-I130 HydrophobicContact CB-CD1 4.19Å; F125-I130 WeakPolarHBondContact O-CG1 3.47Å; F125-I133 HydrophobicContact CD1-CD1 4.02Å; F125-I133 HydrophobicContact CE1-CD1 4.19Å; F125-F143 HydrophobicContact CE1-CD1 4.28Å; F125-F143 AromaticContact CE1-CE1 3.84Å; F125-F143 HydrophobicContact CE1-CE1 3.84Å; F125-F143 HydrophobicContact CZ-CE1 4.27Å; F125-I146 HydrophobicContact CD2-CG2 4.47Å; F125-I146 HydrophobicContact CE2-CG2 4.28Å; F125-I146 HydrophobicContact CZ-CG2 4.47Å; F125-L150 HydrophobicContact CB-CD1 3.57Å; F125-L150 HydrophobicContact CD2-CD1 3.85Å; F125-L150 HydrophobicContact CG-CD1 3.86Å
126D90.3Very high93.3Very high70 Ų7044.2 Ų44.237%0.37423%0.232SC..  trans-61.7175.5178.677.23.7000112.9H124 K128 H129 I130H124-D126 VanDerWaalsContact C-N 3.31Å; H124-D126 PolarHBondContact O-N 3.33Å; D126-K128 PolarHBondContact O-N 3.03Å; D126-K128 WeakPolarHBondContact OD1-CA 3.44Å; D126-K128 VanDerWaalsContact OD1-CB 3.29Å; D126-K128 WeakPolarHBondContact OD1-CB 3.24Å; D126-K128 PolarHBondContact OD1-N 3.11Å; D126-H129 PolarHBondContact O-N 3.44Å; D126-H129 IonicContact OD1-CE1 4Å; D126-H129 IonicContact OD1-CG 3.85Å; D126-H129 PolarHBondContact OD1-N 2.86Å; D126-H129 IonicContact OD1-ND1 3.87Å; D126-H129 PolarHBondContact OD1-ND1 3.4Å; D126-H129 IonicContact OD2-ND1 2.91Å; D126-I130 WeakPolarHBondContact O-CG1 3.35Å; D126-I130 PolarHBondContact O-N 3.32Å
127N90.7Very high93Very high67 Ų6748 Ų4836%0.35826%0.26SS..Hα-helixtrans-57.8-25.5179.3-66.5-13.4000113.5R131 S155 S159N127-R131 WeakPolarHBondContact O-CB 3.27Å; N127-R131 WeakPolarHBondContact O-CG 3.47Å; N127-R131 PolarHBondContact O-N 3.41Å; N127-R131 PolarHBondContact O-NE 3.16Å; N127-S155 PolarHBondContact OD1-O 2.99Å; N127-S159 PolarHBondContact O-OG 3.38Å
128K92.9Very high92.4Very high150 Ų15052.6 Ų52.665%0.65229%0.292SS*.Hα-helixtrans-75.3-43.4176.6-178.3-174.4175.5-174.50110.4D126 R131 S132D126-K128 PolarHBondContact O-N 3.03Å; D126-K128 WeakPolarHBondContact OD1-CA 3.44Å; D126-K128 VanDerWaalsContact OD1-CB 3.29Å; D126-K128 WeakPolarHBondContact OD1-CB 3.24Å; D126-K128 PolarHBondContact OD1-N 3.11Å; K128-R131 PolarHBondContact O-N 2.84Å; K128-S132 WeakPolarHBondContact O-CB 3.45Å; K128-S132 PolarHBondContact O-N 3.25Å
129H93.9Very high91.9Very high63 Ų6353.8 Ų53.829%0.29230%0.296SS..Hα-helixtrans-64.7-47.4177.2-65.798.9000111.8L91 H124 F125 D126 R131 S132 I133L91-H129 WeakPolarHBondContact CD1-CD2 3.26Å; H124-H129 PolarHBondContact O-ND1 3.19Å; F125-H129 HydrophobicContact CD1-CB 4.48Å; D126-H129 PolarHBondContact O-N 3.44Å; D126-H129 IonicContact OD1-CE1 4Å; D126-H129 IonicContact OD1-CG 3.85Å; D126-H129 PolarHBondContact OD1-N 2.86Å; D126-H129 IonicContact OD1-ND1 3.87Å; D126-H129 PolarHBondContact OD1-ND1 3.4Å; D126-H129 IonicContact OD2-ND1 2.91Å; H129-R131 VanDerWaalsContact C-N 3.3Å; H129-R131 PolarHBondContact O-N 3.05Å; H129-S132 WeakPolarHBondContact O-CB 3.5Å; H129-S132 PolarHBondContact O-N 3.17Å; H129-S132 VanDerWaalsContact O-N 3.12Å; H129-I133 WeakPolarHBondContact O-CB 3.3Å; H129-I133 VanDerWaalsContact O-CG1 3.29Å; H129-I133 WeakPolarHBondContact O-CG1 3.47Å; H129-I133 PolarHBondContact O-N 3.23Å
130I94.7Very high92Very high0 Ų051.4 Ų51.40%028%0.279CS..Hα-helixtrans-56.6-45.9176.6-63.3-62.9000110.8F125 D126 S132 I133 L134 V147 L150 V156 V160F125-I130 HydrophobicContact CB-CD1 4.19Å; F125-I130 WeakPolarHBondContact O-CG1 3.47Å; D126-I130 WeakPolarHBondContact O-CG1 3.35Å; D126-I130 PolarHBondContact O-N 3.32Å; I130-S132 PolarHBondContact O-N 3.05Å; I130-I133 PolarHBondContact O-N 3.16Å; I130-L134 HydrophobicContact CG2-CD1 3.93Å; I130-L134 HydrophobicContact CG2-CG 4.45Å; I130-L134 WeakPolarHBondContact O-CB 3.35Å; I130-L134 WeakPolarHBondContact O-CG 3.46Å; I130-L134 PolarHBondContact O-N 3.03Å; I130-V147 HydrophobicContact CD1-CG2 4.27Å; I130-L150 HydrophobicContact CD1-CD1 4.3Å; I130-V156 HydrophobicContact CD1-CG1 4.28Å; I130-V156 HydrophobicContact CG1-CG1 4.33Å; I130-V160 HydrophobicContact CG2-CG2 4.22Å
131R94Very high92.1Very high123 Ų12354.8 Ų54.846%0.46430%0.295SS..Hα-helixtrans-62.3-43.2176.5-77.2-173.1-72.2174.1-4.2112.6N127 K128 H129 S135 Q165N127-R131 WeakPolarHBondContact O-CB 3.27Å; N127-R131 WeakPolarHBondContact O-CG 3.47Å; N127-R131 PolarHBondContact O-N 3.41Å; N127-R131 PolarHBondContact O-NE 3.16Å; K128-R131 PolarHBondContact O-N 2.84Å; H129-R131 VanDerWaalsContact C-N 3.3Å; H129-R131 PolarHBondContact O-N 3.05Å; R131-S135 WeakPolarHBondContact O-CB 3.31Å; R131-S135 PolarHBondContact O-N 3.38Å; R131-S135 VanDerWaalsContact O-N 3.1Å; R131-S135 PolarHBondContact O-OG 2.8Å; R131-Q165 HydrophobicContact CG-CG 3.91Å; R131-Q165 PolarHBondContact O-NE2 3.13Å
132S93.5Very high92Very high64 Ų6459.4 Ų59.445%0.44832%0.315SS..Hα-helixtrans-61.5-46.8177-1770000111.7K128 H129 I130 S135 S136K128-S132 WeakPolarHBondContact O-CB 3.45Å; K128-S132 PolarHBondContact O-N 3.25Å; H129-S132 WeakPolarHBondContact O-CB 3.5Å; H129-S132 PolarHBondContact O-N 3.17Å; H129-S132 VanDerWaalsContact O-N 3.12Å; I130-S132 PolarHBondContact O-N 3.05Å; S132-S135 PolarHBondContact O-N 3.05Å; S132-S136 PolarHBondContact O-N 3.36Å
133I94.3Very high92.2Very high2 Ų258.8 Ų58.81%0.0131%0.308CS..Hα-helixtrans-58.4-53.5177.6-71.6163.9000110.9L91 F125 H129 I130 S135 S136 Y139 V140 F143 V147L91-I133 HydrophobicContact CD2-CD1 4.13Å; L91-I133 HydrophobicContact CD2-CG1 4.46Å; F125-I133 HydrophobicContact CD1-CD1 4.02Å; F125-I133 HydrophobicContact CE1-CD1 4.19Å; H129-I133 WeakPolarHBondContact O-CB 3.3Å; H129-I133 VanDerWaalsContact O-CG1 3.29Å; H129-I133 WeakPolarHBondContact O-CG1 3.47Å; H129-I133 PolarHBondContact O-N 3.23Å; I130-I133 PolarHBondContact O-N 3.16Å; I133-S135 PolarHBondContact O-N 3.36Å; I133-S135 VanDerWaalsContact O-N 3.17Å; I133-S136 PolarHBondContact O-N 2.99Å; I133-Y139 HydrophobicContact CG1-CE2 4.34Å; I133-V140 WeakPolarHBondContact O-CB 3.22Å; I133-F143 HydrophobicContact CD1-CB 4.47Å; I133-F143 HydrophobicContact CD1-CD1 3.7Å; I133-F143 HydrophobicContact CD1-CE1 4.04Å; I133-F143 HydrophobicContact CD1-CG 4.07Å; I133-F143 HydrophobicContact CG1-CD1 4.31Å; I133-F143 HydrophobicContact CG1-CD2 4.48Å; I133-F143 HydrophobicContact CG1-CG 4.23Å; I133-F143 HydrophobicContact CG2-CB 3.41Å; I133-F143 VanDerWaalsContact CG2-CB 3.41Å; I133-F143 HydrophobicContact CG2-CD2 4.31Å; I133-F143 HydrophobicContact CG2-CG 3.87Å; I133-V147 HydrophobicContact CG2-CG2 4.26Å
134L94.3Very high92.5Very high9 Ų953 Ų535%0.04728%0.28CS..Hα-helixtrans-65.6-18.8-178.9-66.7177.6000113.3I130 V140 V147 V160 Q165 L169I130-L134 HydrophobicContact CG2-CD1 3.93Å; I130-L134 HydrophobicContact CG2-CG 4.45Å; I130-L134 WeakPolarHBondContact O-CB 3.35Å; I130-L134 WeakPolarHBondContact O-CG 3.46Å; I130-L134 PolarHBondContact O-N 3.03Å; L134-V140 HydrophobicContact CD2-CG2 4.19Å; L134-V147 HydrophobicContact CD2-CG1 4.45Å; L134-V160 HydrophobicContact CD1-CG2 4.06Å; L134-Q165 HydrophobicContact CD1-CB 4.15Å; L134-L169 HydrophobicContact CD2-CD1 4.28Å
135S92.6Very high92.7Very high54 Ų5452.5 Ų52.538%0.37828%0.281SS..Hα-helixtrans-87.3-13.6175.8-55.80000113.8R131 S132 I133 Q165 K168R131-S135 WeakPolarHBondContact O-CB 3.31Å; R131-S135 PolarHBondContact O-N 3.38Å; R131-S135 VanDerWaalsContact O-N 3.1Å; R131-S135 PolarHBondContact O-OG 2.8Å; S132-S135 PolarHBondContact O-N 3.05Å; I133-S135 PolarHBondContact O-N 3.36Å; I133-S135 VanDerWaalsContact O-N 3.17Å; S135-Q165 PolarHBondContact OG-NE2 2.99Å; S135-Q165 VanDerWaalsContact OG-NE2 3.08Å; S135-Q165 PolarHBondContact OG-OE1 3Å; S135-K168 PolarHBondContact OG-NZ 2.94Å
136S91Very high92.8Very high17 Ų1752.5 Ų52.512%0.11928%0.281CS..  trans-91.2110.8-174.9177.60000112.2S132 I133 S138 Y139 V140S132-S136 PolarHBondContact O-N 3.36Å; I133-S136 PolarHBondContact O-N 2.99Å; S136-S138 PolarHBondContact O-N 3.47Å; S136-S138 PolarHBondContact OG-N 2.99Å; S136-S138 PolarHBondContact OG-OG 3.39Å; S136-Y139 WeakPolarHBondContact OG-CD1 3.21Å; S136-Y139 WeakPolarHBondContact OG-CE1 3.43Å; S136-Y139 VanDerWaalsContact OG-CZ 3.26Å; S136-V140 WeakPolarHBondContact O-CB 3.36Å; S136-V140 WeakPolarHBondContact O-CG1 3.33Å; S136-V140 PolarHBondContact O-N 3.21Å; S136-V140 VanDerWaalsContact O-N 3.1Å
137S83.9Confident93.2Very high118 Ų11849.2 Ų49.283%0.82526%0.264SS*.THydrogen-bonded Turntrans-62.6-28173.457.30000113.5
138S81.5Confident93.6Very high96 Ų9647.8 Ų47.867%0.67126%0.256SS*.THydrogen-bonded Turntrans-77.8-28.5-171.362.60000115S136S136-S138 PolarHBondContact O-N 3.47Å; S136-S138 PolarHBondContact OG-N 2.99Å; S136-S138 PolarHBondContact OG-OG 3.39Å
139Y86.7Confident93.8Very high43 Ų4342.2 Ų42.217%0.16923%0.233CC..THydrogen-bonded Turntrans-141.2-0.1-174.558.4-103.8000114.9I133 S136 Q141 K142 F143I133-Y139 HydrophobicContact CG1-CE2 4.34Å; S136-Y139 WeakPolarHBondContact OG-CD1 3.21Å; S136-Y139 WeakPolarHBondContact OG-CE1 3.43Å; S136-Y139 VanDerWaalsContact OG-CZ 3.26Å; Y139-Q141 PolarHBondContact O-N 3.41Å; Y139-Q141 VanDerWaalsContact O-N 3.16Å; Y139-K142 PolarHBondContact O-N 3.28Å; Y139-F143 AromaticContact CD2-CD2 3.75Å; Y139-F143 HydrophobicContact CD2-CD2 3.75Å; Y139-F143 AromaticContact CD2-CE2 3.75Å; Y139-F143 HydrophobicContact CD2-CE2 3.75Å; Y139-F143 HydrophobicContact CE2-CD2 4.46Å; Y139-F143 HydrophobicContact CE2-CE2 4.3Å
140V94.4Very high94Very high7 Ų739.2 Ų39.24%0.04222%0.219CC..Hα-helixtrans-49.3-44.5177.559.30000112I133 L134 S136 K142 F143 L144 L172I133-V140 WeakPolarHBondContact O-CB 3.22Å; L134-V140 HydrophobicContact CD2-CG2 4.19Å; S136-V140 WeakPolarHBondContact O-CB 3.36Å; S136-V140 WeakPolarHBondContact O-CG1 3.33Å; S136-V140 PolarHBondContact O-N 3.21Å; S136-V140 VanDerWaalsContact O-N 3.1Å; V140-K142 VanDerWaalsContact C-N 3.28Å; V140-K142 PolarHBondContact O-N 3.31Å; V140-F143 PolarHBondContact O-N 3Å; V140-L144 HydrophobicContact CG2-CD2 4.24Å; V140-L144 WeakPolarHBondContact O-CG 3.35Å; V140-L144 PolarHBondContact O-N 3.09Å; V140-L144 VanDerWaalsContact O-N 3.17Å; V140-L172 HydrophobicContact CG1-CD2 3.73Å; V140-L172 HydrophobicContact CG2-CD2 4.06Å
141Q95.5Very high94.2Very high84 Ų8439.2 Ų39.239%0.39322%0.219SC..Hα-helixtrans-59.5-36.1-177.1-65.3-173.624.300113Y139 F143 L144 I181Y139-Q141 PolarHBondContact O-N 3.41Å; Y139-Q141 VanDerWaalsContact O-N 3.16Å; Q141-F143 VanDerWaalsContact C-N 3.32Å; Q141-F143 PolarHBondContact O-N 2.98Å; Q141-L144 PolarHBondContact O-N 3.14Å; Q141-I181 HydrophobicContact CB-CD1 4.11Å; Q141-I181 HydrophobicContact CG-CD1 4.45Å; Q141-I181 HydrophobicContact CG-CG2 4.39Å
142K94.7Very high94.3Very high97 Ų9736.1 Ų36.142%0.42222%0.216SC..Hα-helixtrans-66.7-35.3178.1-63.1-171.6177.3-167.10111.9I105 Y139 V140 P145I105-K142 HydrophobicContact CD1-CB 4.18Å; I105-K142 HydrophobicContact CG2-CB 4.5Å; I105-K142 WeakPolarHBondContact CG2-O 3.38Å; Y139-K142 PolarHBondContact O-N 3.28Å; V140-K142 VanDerWaalsContact C-N 3.28Å; V140-K142 PolarHBondContact O-N 3.31Å; K142-P145 WeakPolarHBondContact O-CD 3.46Å
143F96.9Very high94.4Very high4 Ų435.3 Ų35.32%0.01821%0.207CC..Hα-helixtrans-86.3-9.9-178.5-79.9-89.6000113.9S90 L91 I105 F125 I133 Y139 V140 Q141 P145 I146 V147S90-F143 WeakPolarHBondContact O-CZ 3.41Å; L91-F143 HydrophobicContact CD2-CE1 4.35Å; L91-F143 HydrophobicContact CD2-CZ 4.32Å; I105-F143 HydrophobicContact CD1-CD2 3.95Å; I105-F143 HydrophobicContact CD1-CE1 4.12Å; I105-F143 HydrophobicContact CD1-CE2 3.45Å; I105-F143 VanDerWaalsContact CD1-CE2 3.45Å; I105-F143 HydrophobicContact CD1-CG 4.49Å; I105-F143 HydrophobicContact CD1-CZ 3.55Å; I105-F143 HydrophobicContact CG1-CD1 4.42Å; I105-F143 HydrophobicContact CG1-CE1 3.93Å; I105-F143 HydrophobicContact CG1-CE2 4.19Å; I105-F143 HydrophobicContact CG1-CZ 3.82Å; F125-F143 HydrophobicContact CE1-CD1 4.28Å; F125-F143 AromaticContact CE1-CE1 3.84Å; F125-F143 HydrophobicContact CE1-CE1 3.84Å; F125-F143 HydrophobicContact CZ-CE1 4.27Å; I133-F143 HydrophobicContact CD1-CB 4.47Å; I133-F143 HydrophobicContact CD1-CD1 3.7Å; I133-F143 HydrophobicContact CD1-CE1 4.04Å; I133-F143 HydrophobicContact CD1-CG 4.07Å; I133-F143 HydrophobicContact CG1-CD1 4.31Å; I133-F143 HydrophobicContact CG1-CD2 4.48Å; I133-F143 HydrophobicContact CG1-CG 4.23Å; I133-F143 HydrophobicContact CG2-CB 3.41Å; I133-F143 VanDerWaalsContact CG2-CB 3.41Å; I133-F143 HydrophobicContact CG2-CD2 4.31Å; I133-F143 HydrophobicContact CG2-CG 3.87Å; Y139-F143 AromaticContact CD2-CD2 3.75Å; Y139-F143 HydrophobicContact CD2-CD2 3.75Å; Y139-F143 AromaticContact CD2-CE2 3.75Å; Y139-F143 HydrophobicContact CD2-CE2 3.75Å; Y139-F143 HydrophobicContact CE2-CD2 4.46Å; Y139-F143 HydrophobicContact CE2-CE2 4.3Å; V140-F143 PolarHBondContact O-N 3Å; Q141-F143 VanDerWaalsContact C-N 3.32Å; Q141-F143 PolarHBondContact O-N 2.98Å; F143-P145 VanDerWaalsContact C-CD 3.46Å; F143-P145 VanDerWaalsContact C-N 3.34Å; F143-I146 HydrophobicContact CD1-CD1 3.95Å; F143-I146 HydrophobicContact CE1-CD1 4.31Å; F143-I146 WeakPolarHBondContact O-CB 3.37Å; F143-I146 PolarHBondContact O-N 2.92Å; F143-V147 WeakPolarHBondContact O-CG2 3.46Å; F143-V147 PolarHBondContact O-N 3.11Å
144L98.1Very high94.5Very high0 Ų038.8 Ų38.80%023%0.228CC..Hα-helixtrans-54.2-40.7-178.2-72.4175.1000114.1V140 Q141 I146 V147 L148 L169 L172 I181 L184 I185 I188V140-L144 HydrophobicContact CG2-CD2 4.24Å; V140-L144 WeakPolarHBondContact O-CG 3.35Å; V140-L144 PolarHBondContact O-N 3.09Å; V140-L144 VanDerWaalsContact O-N 3.17Å; Q141-L144 PolarHBondContact O-N 3.14Å; L144-I146 VanDerWaalsContact C-N 3.32Å; L144-I146 PolarHBondContact O-N 2.59Å; L144-V147 PolarHBondContact O-N 2.83Å; L144-L148 WeakPolarHBondContact O-CB 3.47Å; L144-L148 PolarHBondContact O-N 3.42Å; L144-L169 HydrophobicContact CD2-CD1 4.25Å; L144-L172 HydrophobicContact CD1-CD2 4.45Å; L144-I181 HydrophobicContact CD1-CD1 4.25Å; L144-I181 HydrophobicContact CD1-CG2 3.6Å; L144-L184 HydrophobicContact CB-CB 4.04Å; L144-L184 HydrophobicContact CB-CD1 3.84Å; L144-I185 HydrophobicContact CD1-CD1 4.2Å; L144-I185 HydrophobicContact CD1-CG1 3.85Å; L144-I185 HydrophobicContact CD2-CG1 4.03Å; L144-I188 HydrophobicContact CD2-CD1 3.82Å
145P98.1Very high94.5Very high33 Ų3341.2 Ų41.221%0.21425%0.246CC..Hα-helixtrans-60-39.9174.6-24.735.8000113.2S109 K142 F143 L148 N149 L184S109-P145 VanDerWaalsContact OG-CB 3.23Å; S109-P145 WeakPolarHBondContact OG-CB 3.34Å; K142-P145 WeakPolarHBondContact O-CD 3.46Å; F143-P145 VanDerWaalsContact C-CD 3.46Å; F143-P145 VanDerWaalsContact C-N 3.34Å; P145-L148 WeakPolarHBondContact O-CB 3.35Å; P145-L148 PolarHBondContact O-N 3.39Å; P145-N149 VanDerWaalsContact O-CG 3.31Å; P145-N149 PolarHBondContact O-N 3.08Å; P145-N149 VanDerWaalsContact O-N 3.09Å; P145-N149 PolarHBondContact O-ND2 3.04Å; P145-L184 HydrophobicContact CB-CD2 4.48Å; P145-L184 HydrophobicContact CG-CD1 3.83Å; P145-L184 HydrophobicContact CG-CD2 4.3Å
146I97.8Very high94.7Very high2 Ų238.7 Ų38.71%0.0123%0.228CC..Hα-helixtrans-67-46.7176.4-60.9173.7000110I105 I108 F125 F143 L144 L148 N149 L150I105-I146 HydrophobicContact CB-CD1 4.27Å; I105-I146 HydrophobicContact CG1-CD1 4.37Å; I105-I146 HydrophobicContact CG2-CD1 3.84Å; I108-I146 HydrophobicContact CB-CD1 3.77Å; I108-I146 HydrophobicContact CB-CG1 4.27Å; I108-I146 HydrophobicContact CG2-CD1 3.65Å; I108-I146 HydrophobicContact CG2-CG1 3.9Å; I108-I146 HydrophobicContact CG2-CG2 4.08Å; F125-I146 HydrophobicContact CD2-CG2 4.47Å; F125-I146 HydrophobicContact CE2-CG2 4.28Å; F125-I146 HydrophobicContact CZ-CG2 4.47Å; F143-I146 HydrophobicContact CD1-CD1 3.95Å; F143-I146 HydrophobicContact CE1-CD1 4.31Å; F143-I146 WeakPolarHBondContact O-CB 3.37Å; F143-I146 PolarHBondContact O-N 2.92Å; L144-I146 VanDerWaalsContact C-N 3.32Å; L144-I146 PolarHBondContact O-N 2.59Å; I146-L148 VanDerWaalsContact C-N 3.3Å; I146-L148 PolarHBondContact O-N 3.2Å; I146-N149 PolarHBondContact O-N 3.04Å; I146-L150 HydrophobicContact CG2-CD1 3.66Å; I146-L150 HydrophobicContact CG2-CG 4.02Å; I146-L150 WeakPolarHBondContact O-CB 3.36Å; I146-L150 VanDerWaalsContact O-CG 3.28Å; I146-L150 WeakPolarHBondContact O-CG 3.45Å; I146-L150 PolarHBondContact O-N 2.63Å
147V97.9Very high95Very high1 Ų139.3 Ų39.31%0.00623%0.228CC..Hα-helixtrans-62.8-38.8179.1179.40000110.9I130 I133 L134 F143 L144 L150 S151 V160 I188I130-V147 HydrophobicContact CD1-CG2 4.27Å; I133-V147 HydrophobicContact CG2-CG2 4.26Å; L134-V147 HydrophobicContact CD2-CG1 4.45Å; F143-V147 WeakPolarHBondContact O-CG2 3.46Å; F143-V147 PolarHBondContact O-N 3.11Å; L144-V147 PolarHBondContact O-N 2.83Å; V147-L150 PolarHBondContact O-N 3.4Å; V147-S151 VanDerWaalsContact O-CB 3.26Å; V147-S151 WeakPolarHBondContact O-CB 3.44Å; V147-S151 PolarHBondContact O-N 3.12Å; V147-S151 PolarHBondContact O-OG 3.33Å; V147-V160 HydrophobicContact CG1-CG2 4.23Å; V147-I188 HydrophobicContact CB-CD1 4Å; V147-I188 HydrophobicContact CG1-CD1 3.76Å; V147-I188 HydrophobicContact CG1-CG1 4.18Å; V147-I188 HydrophobicContact CG1-CG2 4.44Å
148L98.5Very high95.6Very high37 Ų3737.9 Ų37.919%0.19421%0.208CC..Hα-helixtrans-56-54.4172.5173.563.1000110.8L144 P145 I146 L150 S151 L184 I188 N191L144-L148 WeakPolarHBondContact O-CB 3.47Å; L144-L148 PolarHBondContact O-N 3.42Å; P145-L148 WeakPolarHBondContact O-CB 3.35Å; P145-L148 PolarHBondContact O-N 3.39Å; I146-L148 VanDerWaalsContact C-N 3.3Å; I146-L148 PolarHBondContact O-N 3.2Å; L148-L150 PolarHBondContact O-N 3.18Å; L148-S151 PolarHBondContact O-N 3.35Å; L148-S151 PolarHBondContact O-OG 3.38Å; L148-L184 HydrophobicContact CD2-CD2 3.65Å; L148-I188 VanDerWaalsContact CA-CG1 3.5Å; L148-I188 HydrophobicContact CB-CG1 3.91Å; L148-I188 HydrophobicContact CD1-CG1 4.2Å; L148-N191 PolarHBondContact O-ND2 2.87Å; L148-N191 VanDerWaalsContact O-ND2 3.09Å
149N98.1Very high96.3Very high32 Ų3233.6 Ų33.617%0.17118%0.178CC..Hα-helixtrans-63.3-45-179.1-67.5-15.7000112.2S109 T112 P145 I146 S151 S152S109-N149 PolarHBondContact O-ND2 2.81Å; S109-N149 VanDerWaalsContact O-ND2 3.09Å; T112-N149 WeakPolarHBondContact O-CB 3.41Å; T112-N149 PolarHBondContact OG1-ND2 3.4Å; P145-N149 VanDerWaalsContact O-CG 3.31Å; P145-N149 PolarHBondContact O-N 3.08Å; P145-N149 VanDerWaalsContact O-N 3.09Å; P145-N149 PolarHBondContact O-ND2 3.04Å; I146-N149 PolarHBondContact O-N 3.04Å; N149-S151 VanDerWaalsContact C-N 3.29Å; N149-S151 PolarHBondContact O-N 3.34Å; N149-S152 WeakPolarHBondContact O-CB 3.36Å; N149-S152 PolarHBondContact O-N 2.85Å; N149-S152 PolarHBondContact O-OG 3.12Å
150L97.9Very high96.7Very high0 Ų031.6 Ų31.60%017%0.17CC..Hα-helixtrans-69.1-23.7-179.8-68.8-176000113.2T112 I118 F121 F125 I130 I146 V147 L148 S152 L153 V156T112-L150 HydrophobicContact CG2-CD2 4.22Å; I118-L150 HydrophobicContact CG2-CD2 4.18Å; F121-L150 HydrophobicContact CB-CD2 4.13Å; F125-L150 HydrophobicContact CB-CD1 3.57Å; F125-L150 HydrophobicContact CD2-CD1 3.85Å; F125-L150 HydrophobicContact CG-CD1 3.86Å; I130-L150 HydrophobicContact CD1-CD1 4.3Å; I146-L150 HydrophobicContact CG2-CD1 3.66Å; I146-L150 HydrophobicContact CG2-CG 4.02Å; I146-L150 WeakPolarHBondContact O-CB 3.36Å; I146-L150 VanDerWaalsContact O-CG 3.28Å; I146-L150 WeakPolarHBondContact O-CG 3.45Å; I146-L150 PolarHBondContact O-N 2.63Å; V147-L150 PolarHBondContact O-N 3.4Å; L148-L150 PolarHBondContact O-N 3.18Å; L150-S152 PolarHBondContact O-N 3.48Å; L150-S152 VanDerWaalsContact O-N 3.07Å; L150-L153 VanDerWaalsContact O-CB 3.31Å; L150-L153 WeakPolarHBondContact O-CB 3.46Å; L150-L153 PolarHBondContact O-N 3.16Å; L150-V156 HydrophobicContact CB-CG1 4.2Å; L150-V156 HydrophobicContact CB-CG2 4.19Å; L150-V156 WeakPolarHBondContact O-CB 3.42Å; L150-V156 WeakPolarHBondContact O-CG2 3.44Å
151S97.7Very high96.8Very high0 Ų031.3 Ų31.30%017%0.169CC..THydrogen-bonded Turntrans-66.9-4.1176.167.50000114.1V147 L148 N149 L153 R157 N191V147-S151 VanDerWaalsContact O-CB 3.26Å; V147-S151 WeakPolarHBondContact O-CB 3.44Å; V147-S151 PolarHBondContact O-N 3.12Å; V147-S151 PolarHBondContact O-OG 3.33Å; L148-S151 PolarHBondContact O-N 3.35Å; L148-S151 PolarHBondContact O-OG 3.38Å; N149-S151 VanDerWaalsContact C-N 3.29Å; N149-S151 PolarHBondContact O-N 3.34Å; S151-L153 PolarHBondContact O-N 3.19Å; S151-R157 WeakPolarHBondContact O-CD 3.46Å; S151-R157 WeakPolarHBondContact O-CG 3.46Å; S151-N191 WeakPolarHBondContact OG-CB 3.46Å; S151-N191 PolarHBondContact OG-ND2 2.94Å
152S96.3Very high96.6Very high58 Ų5829.3 Ų29.341%0.40616%0.164SC..THydrogen-bonded Turntrans-64-26.1162.359.80000112.8N149 L150 R157N149-S152 WeakPolarHBondContact O-CB 3.36Å; N149-S152 PolarHBondContact O-N 2.85Å; N149-S152 PolarHBondContact O-OG 3.12Å; L150-S152 PolarHBondContact O-N 3.48Å; L150-S152 VanDerWaalsContact O-N 3.07Å; S152-R157 PolarHBondContact O-NH1 2.92Å
153L96.4Very high96.4Very high47 Ų4727.2 Ų27.225%0.24616%0.162CC..SBendtrans-80133.7176-60.4176.3000111.5I118 L150 S151 S155 V156 R157I118-L153 HydrophobicContact CG2-CD1 3.83Å; I118-L153 HydrophobicContact CG2-CD2 3.81Å; I118-L153 HydrophobicContact CG2-CG 3.62Å; L150-L153 VanDerWaalsContact O-CB 3.31Å; L150-L153 WeakPolarHBondContact O-CB 3.46Å; L150-L153 PolarHBondContact O-N 3.16Å; S151-L153 PolarHBondContact O-N 3.19Å; L153-S155 VanDerWaalsContact C-N 3.3Å; L153-S155 PolarHBondContact O-N 2.93Å; L153-V156 HydrophobicContact CB-CB 4.36Å; L153-V156 HydrophobicContact CB-CG2 4.04Å; L153-V156 HydrophobicContact CD1-CG2 4.33Å; L153-V156 PolarHBondContact O-N 3.35Å; L153-V156 VanDerWaalsContact O-N 3.12Å; L153-R157 PolarHBondContact O-N 2.99Å; L153-R157 VanDerWaalsContact O-N 3.11Å
154T96.2Very high96.1Very high75 Ų7532.4 Ų32.446%0.4619%0.186SC..Hα-helixtrans-56.3-41.8179.2-55.70000112.7V156 R157 H158T154-V156 VanDerWaalsContact C-N 3.32Å; T154-V156 PolarHBondContact O-N 3.44Å; T154-R157 PolarHBondContact O-N 3.29Å; T154-R157 PolarHBondContact OG1-NH2 3.4Å; T154-H158 PolarHBondContact O-N 3.14Å; T154-H158 VanDerWaalsContact O-N 3.14Å; T154-H158 PolarHBondContact O-ND1 3.12Å
155S95Very high96Very high60 Ų6032.6 Ų32.642%0.4219%0.187SC..Hα-helixtrans-59.4-41.4178.250.60000112.5N127 L153 H158 S159N127-S155 PolarHBondContact OD1-O 2.99Å; L153-S155 VanDerWaalsContact C-N 3.3Å; L153-S155 PolarHBondContact O-N 2.93Å; S155-H158 PolarHBondContact O-N 3.44Å; S155-S159 PolarHBondContact O-N 3.11Å; S155-S159 VanDerWaalsContact O-N 3.09Å
156V96.7Very high95.8Very high1 Ų131 Ų311%0.00618%0.177CC..Hα-helixtrans-71.2-40.7-179.4179.40000110.6I130 L150 L153 T154 H158 S159 V160I130-V156 HydrophobicContact CD1-CG1 4.28Å; I130-V156 HydrophobicContact CG1-CG1 4.33Å; L150-V156 HydrophobicContact CB-CG1 4.2Å; L150-V156 HydrophobicContact CB-CG2 4.19Å; L150-V156 WeakPolarHBondContact O-CB 3.42Å; L150-V156 WeakPolarHBondContact O-CG2 3.44Å; L153-V156 HydrophobicContact CB-CB 4.36Å; L153-V156 HydrophobicContact CB-CG2 4.04Å; L153-V156 HydrophobicContact CD1-CG2 4.33Å; L153-V156 PolarHBondContact O-N 3.35Å; L153-V156 VanDerWaalsContact O-N 3.12Å; T154-V156 VanDerWaalsContact C-N 3.32Å; T154-V156 PolarHBondContact O-N 3.44Å; V156-H158 VanDerWaalsContact C-N 3.32Å; V156-H158 PolarHBondContact O-N 3.37Å; V156-S159 WeakPolarHBondContact O-CB 3.29Å; V156-S159 PolarHBondContact O-N 3.28Å; V156-S159 VanDerWaalsContact O-N 3.12Å; V156-V160 HydrophobicContact CG1-CG2 4.28Å; V156-V160 VanDerWaalsContact O-CG2 3.31Å; V156-V160 WeakPolarHBondContact O-CG2 3.46Å; V156-V160 PolarHBondContact O-N 3.19Å
157R97.3Very high95.7Very high31 Ų3137.6 Ų37.612%0.11720%0.201CC..Hα-helixtrans-55.6-47.1173-62.8-166.6-59.4-896.8111.7S151 S152 L153 T154 S159 V160 C161 N191 L198S151-R157 WeakPolarHBondContact O-CD 3.46Å; S151-R157 WeakPolarHBondContact O-CG 3.46Å; S152-R157 PolarHBondContact O-NH1 2.92Å; L153-R157 PolarHBondContact O-N 2.99Å; L153-R157 VanDerWaalsContact O-N 3.11Å; T154-R157 PolarHBondContact O-N 3.29Å; T154-R157 PolarHBondContact OG1-NH2 3.4Å; R157-S159 VanDerWaalsContact C-N 3.3Å; R157-S159 PolarHBondContact O-N 3.27Å; R157-V160 PolarHBondContact O-N 3.04Å; R157-C161 WeakPolarHBondContact O-CB 3.34Å; R157-C161 PolarHBondContact O-N 2.59Å; R157-C161 PolarHBondContact O-SG 2.61Å; R157-N191 WeakPolarHBondContact CD-O 3.44Å; R157-L198 HydrophobicContact CB-CD1 3.59Å
158H96.1Very high95.5Very high87 Ų8740.9 Ų40.940%0.40322%0.215SC..Hα-helixtrans-62.1-37.5177.5-74.573.3000112.5T154 S155 V156 S162 E197T154-H158 PolarHBondContact O-N 3.14Å; T154-H158 VanDerWaalsContact O-N 3.14Å; T154-H158 PolarHBondContact O-ND1 3.12Å; S155-H158 PolarHBondContact O-N 3.44Å; V156-H158 VanDerWaalsContact C-N 3.32Å; V156-H158 PolarHBondContact O-N 3.37Å; H158-S162 PolarHBondContact O-N 3.35Å; H158-E197 IonicContact CE1-OE1 3.9Å; H158-E197 PolarHBondContact CE1-OE1 2.9Å
159S95.5Very high95.4Very high7 Ų739.2 Ų39.25%0.04921%0.207CC..Hα-helixtrans-65.3-45.3176-1700000112.2N127 S155 V156 R157 S162N127-S159 PolarHBondContact O-OG 3.38Å; S155-S159 PolarHBondContact O-N 3.11Å; S155-S159 VanDerWaalsContact O-N 3.09Å; V156-S159 WeakPolarHBondContact O-CB 3.29Å; V156-S159 PolarHBondContact O-N 3.28Å; V156-S159 VanDerWaalsContact O-N 3.12Å; R157-S159 VanDerWaalsContact C-N 3.3Å; R157-S159 PolarHBondContact O-N 3.27Å; S159-S162 PolarHBondContact O-OG 2.86Å
160V96.7Very high95.3Very high0 Ų037.9 Ų37.90%020%0.2CC..Hα-helixtrans-64.1-44.9177.2173.80000111.2I130 L134 V147 V156 R157 S162 L166 L169 I188I130-V160 HydrophobicContact CG2-CG2 4.22Å; L134-V160 HydrophobicContact CD1-CG2 4.06Å; V147-V160 HydrophobicContact CG1-CG2 4.23Å; V156-V160 HydrophobicContact CG1-CG2 4.28Å; V156-V160 VanDerWaalsContact O-CG2 3.31Å; V156-V160 WeakPolarHBondContact O-CG2 3.46Å; V156-V160 PolarHBondContact O-N 3.19Å; R157-V160 PolarHBondContact O-N 3.04Å; V160-S162 PolarHBondContact O-N 2.78Å; V160-L166 PolarHBondContact O-N 2.67Å; V160-L169 HydrophobicContact CG1-CD2 3.95Å; V160-I188 HydrophobicContact CG1-CG2 3.75Å; V160-I188 HydrophobicContact CG2-CG2 4.24Å
161C96.2Very high95.2Very high2 Ų239.3 Ų39.31%0.01421%0.214CC..THydrogen-bonded Turntrans-77-0.9-176.1-72.70000114.8R157 S163 C192 L198 E201R157-C161 WeakPolarHBondContact O-CB 3.34Å; R157-C161 PolarHBondContact O-N 2.59Å; R157-C161 PolarHBondContact O-SG 2.61Å; C161-S163 PolarHBondContact O-N 2.86Å; C161-C192 VanDerWaalsContact SG-CB 3.56Å; C161-L198 HydrophobicContact CB-CD1 4.43Å; C161-L198 HydrophobicContact CB-CD2 4.07Å; C161-E201 HydrophobicContact CB-CB 4.49Å
162S91.7Very high95.1Very high42 Ų4240.8 Ų40.829%0.29422%0.222SC..SBendtrans-57135.4167.764.20000110H158 S159 V160 E164 Q165 L166H158-S162 PolarHBondContact O-N 3.35Å; S159-S162 PolarHBondContact O-OG 2.86Å; V160-S162 PolarHBondContact O-N 2.78Å; S162-E164 PolarHBondContact O-N 3.4Å; S162-Q165 PolarHBondContact O-N 2.91Å; S162-Q165 VanDerWaalsContact OG-CG 3.29Å; S162-Q165 WeakPolarHBondContact OG-CG 3.34Å; S162-L166 PolarHBondContact O-N 2.87Å
163S88.9Confident95.2Very high53 Ų5338.1 Ų38.137%0.37120%0.203SC..Hα-helixtrans-56-32-168.1-48.20000113.9C161 R167C161-S163 PolarHBondContact O-N 2.86Å; S163-R167 WeakPolarHBondContact O-CB 3.43Å; S163-R167 PolarHBondContact O-N 2.89Å
164E92.1Very high95.1Very high112 Ų11239.4 Ų39.452%0.52322%0.216SC..Hα-helixtrans-67.4-48.7175.5-173.1-174.5169.400112.1S162 R167 K168S162-E164 PolarHBondContact O-N 3.4Å; E164-R167 PolarHBondContact O-N 3.06Å; E164-K168 WeakPolarHBondContact O-CG 3.21Å; E164-K168 PolarHBondContact O-N 3.38Å; E164-K168 VanDerWaalsContact O-N 3.08Å; E164-K168 WeakPolarHBondContact OE1-CE 3.1Å; E164-K168 IonicContact OE1-NZ 2.69Å; E164-K168 PolarHBondContact OE1-NZ 3.22Å
165Q94.5Very high95.1Very high4 Ų444.3 Ų44.32%0.01923%0.231CC..Hα-helixtrans-75-35.5-174.9-54.8-48.43600112.4R131 L134 S135 S162 R167 K168 L169R131-Q165 HydrophobicContact CG-CG 3.91Å; R131-Q165 PolarHBondContact O-NE2 3.13Å; L134-Q165 HydrophobicContact CD1-CB 4.15Å; S135-Q165 PolarHBondContact OG-NE2 2.99Å; S135-Q165 VanDerWaalsContact OG-NE2 3.08Å; S135-Q165 PolarHBondContact OG-OE1 3Å; S162-Q165 PolarHBondContact O-N 2.91Å; S162-Q165 VanDerWaalsContact OG-CG 3.29Å; S162-Q165 WeakPolarHBondContact OG-CG 3.34Å; Q165-R167 VanDerWaalsContact C-N 3.3Å; Q165-R167 PolarHBondContact O-N 3.26Å; Q165-K168 PolarHBondContact O-N 2.8Å; Q165-L169 WeakPolarHBondContact O-CB 3.24Å; Q165-L169 PolarHBondContact O-N 2.99Å
166L95.4Very high95.1Very high0 Ų042.2 Ų42.20%022%0.215CC..Hα-helixtrans-62.1-41.2173.9-166.562.3000110.9V160 S162 K168 L169 M170 I189 L202 V207V160-L166 PolarHBondContact O-N 2.67Å; S162-L166 PolarHBondContact O-N 2.87Å; L166-K168 PolarHBondContact O-N 3.35Å; L166-L169 PolarHBondContact O-N 3.05Å; L166-M170 WeakPolarHBondContact O-CB 3.38Å; L166-M170 WeakPolarHBondContact O-CG 3.48Å; L166-M170 PolarHBondContact O-N 3.03Å; L166-I189 HydrophobicContact CD1-CD1 3.49Å; L166-I189 VanDerWaalsContact CD1-CD1 3.49Å; L166-L202 HydrophobicContact CD1-CD2 4Å; L166-L202 HydrophobicContact CD2-CD2 3.85Å; L166-V207 HydrophobicContact CB-CG1 4.08Å; L166-V207 HydrophobicContact CB-CG2 4.4Å; L166-V207 HydrophobicContact CD2-CB 4.28Å; L166-V207 HydrophobicContact CD2-CG1 3.52Å; L166-V207 HydrophobicContact CD2-CG2 3.93Å; L166-V207 HydrophobicContact CG-CB 4.5Å; L166-V207 HydrophobicContact CG-CG1 3.4Å; L166-V207 HydrophobicContact CG-CG2 4.33Å
167R94.5Very high94.9Very high140 Ų14049.2 Ų49.253%0.52825%0.253SS..Hα-helixtrans-63-41.5174.1-168.1-171.4-54.7137.99.9112.4S163 E164 Q165 G171 G206S163-R167 WeakPolarHBondContact O-CB 3.43Å; S163-R167 PolarHBondContact O-N 2.89Å; E164-R167 PolarHBondContact O-N 3.06Å; Q165-R167 VanDerWaalsContact C-N 3.3Å; Q165-R167 PolarHBondContact O-N 3.26Å; R167-G171 PolarHBondContact O-N 2.73Å; R167-G206 PolarHBondContact NE-O 3.09Å
168K94.4Very high94.8Very high70 Ų7050.3 Ų50.330%0.30427%0.265SS..Hα-helixtrans-64.7-42.6176.1-70.6-176.7-165.8144.50111.7S135 E164 Q165 L166 G171 L172S135-K168 PolarHBondContact OG-NZ 2.94Å; E164-K168 WeakPolarHBondContact O-CG 3.21Å; E164-K168 PolarHBondContact O-N 3.38Å; E164-K168 VanDerWaalsContact O-N 3.08Å; E164-K168 WeakPolarHBondContact OE1-CE 3.1Å; E164-K168 IonicContact OE1-NZ 2.69Å; E164-K168 PolarHBondContact OE1-NZ 3.22Å; Q165-K168 PolarHBondContact O-N 2.8Å; L166-K168 PolarHBondContact O-N 3.35Å; K168-G171 PolarHBondContact O-N 3.4Å; K168-L172 PolarHBondContact O-N 3.27Å
169L96.1Very high94.9Very high3 Ų347.9 Ų47.92%0.01626%0.256CS..Hα-helixtrans-64.6-42.5178.7-171.758.6000111.4L134 L144 V160 Q165 L166 L172 F173 I185 I188 I189L134-L169 HydrophobicContact CD2-CD1 4.28Å; L144-L169 HydrophobicContact CD2-CD1 4.25Å; V160-L169 HydrophobicContact CG1-CD2 3.95Å; Q165-L169 WeakPolarHBondContact O-CB 3.24Å; Q165-L169 PolarHBondContact O-N 2.99Å; L166-L169 PolarHBondContact O-N 3.05Å; L169-L172 PolarHBondContact O-N 2.89Å; L169-F173 PolarHBondContact O-N 2.95Å; L169-I185 HydrophobicContact CD1-CB 4.25Å; L169-I185 HydrophobicContact CD1-CD1 4.23Å; L169-I185 HydrophobicContact CD1-CG1 3.79Å; L169-I185 HydrophobicContact CD1-CG2 3.63Å; L169-I185 HydrophobicContact CD2-CG2 4.2Å; L169-I185 HydrophobicContact CG-CG2 3.61Å; L169-I188 HydrophobicContact CD2-CG2 3.95Å; L169-I189 HydrophobicContact CD2-CD1 3.89Å
170M96.4Very high95Very high4 Ų451.6 Ų51.62%0.0228%0.281CS..Hα-helixtrans-68.6-36.8174.4-69.4-52.997.700113L166 L172 F173 S174 I185 I189 V207 L209 A212L166-M170 WeakPolarHBondContact O-CB 3.38Å; L166-M170 WeakPolarHBondContact O-CG 3.48Å; L166-M170 PolarHBondContact O-N 3.03Å; M170-L172 VanDerWaalsContact C-N 3.31Å; M170-L172 PolarHBondContact O-N 3.41Å; M170-F173 HydrophobicContact CE-CB 4.43Å; M170-F173 PolarHBondContact O-N 3.34Å; M170-S174 WeakPolarHBondContact O-CB 3.31Å; M170-S174 PolarHBondContact O-N 2.94Å; M170-S174 PolarHBondContact O-OG 3.4Å; M170-I185 HydrophobicContact CE-CG2 3.88Å; M170-I189 HydrophobicContact CE-CD1 3.76Å; M170-I189 HydrophobicContact CE-CG1 3.62Å; M170-V207 HydrophobicContact CG-CG1 3.89Å; M170-L209 HydrophobicContact CE-CD1 3.95Å; M170-L209 HydrophobicContact CG-CD1 4.03Å; M170-L209 HydrophobicContact SD-CB 4.5Å; M170-L209 HydrophobicContact SD-CD1 3.27Å; M170-L209 WeakPolarHBondContact SD-CD1 3.41Å; M170-L209 HydrophobicContact SD-CG 4.41Å; M170-A212 HydrophobicContact SD-CB 3.9Å
171G95.4Very high95Very high29 Ų2952.6 Ų52.630%0.29929%0.285SS..Hα-helixtrans-60.8-39.717100000112.4R167 K168 K175R167-G171 PolarHBondContact O-N 2.73Å; K168-G171 PolarHBondContact O-N 3.4Å; G171-K175 WeakPolarHBondContact O-CB 3.4Å; G171-K175 WeakPolarHBondContact O-CD 3.23Å; G171-K175 WeakPolarHBondContact O-CG 3.18Å; G171-K175 PolarHBondContact O-N 3.24Å
172L96.1Very high95.1Very high32 Ų3253.5 Ų53.517%0.16829%0.289CS..Hα-helixtrans-67.8-47.4173.8178.462.3000111.5V140 L144 K168 L169 M170 S174 K175 V176 I185V140-L172 HydrophobicContact CG1-CD2 3.73Å; V140-L172 HydrophobicContact CG2-CD2 4.06Å; L144-L172 HydrophobicContact CD1-CD2 4.45Å; K168-L172 PolarHBondContact O-N 3.27Å; L169-L172 PolarHBondContact O-N 2.89Å; M170-L172 VanDerWaalsContact C-N 3.31Å; M170-L172 PolarHBondContact O-N 3.41Å; L172-S174 VanDerWaalsContact C-N 3.25Å; L172-S174 PolarHBondContact O-N 2.96Å; L172-K175 PolarHBondContact O-N 3.04Å; L172-K175 VanDerWaalsContact O-N 3.15Å; L172-V176 WeakPolarHBondContact O-CB 3.21Å; L172-V176 WeakPolarHBondContact O-CG1 3.29Å; L172-V176 PolarHBondContact O-N 3.25Å; L172-I185 HydrophobicContact CB-CD1 4.36Å; L172-I185 HydrophobicContact CD2-CD1 3.87Å; L172-I185 HydrophobicContact CG-CD1 3.83Å
173F97.2Very high95.5Very high2 Ų252.6 Ų52.61%0.00928%0.281CS..Hα-helixtrans-53.8-44.4177.9-175.7-87.6000111.9L169 M170 K182 I185 A186 A212 L213 P216 L253L169-F173 PolarHBondContact O-N 2.95Å; M170-F173 HydrophobicContact CE-CB 4.43Å; M170-F173 PolarHBondContact O-N 3.34Å; F173-K182 HydrophobicContact CD2-CB 4.16Å; F173-K182 HydrophobicContact CD2-CG 4.29Å; F173-K182 HydrophobicContact CE2-CB 3.66Å; F173-K182 HydrophobicContact CE2-CG 4.08Å; F173-K182 WeakPolarHBondContact CE2-O 3.46Å; F173-K182 HydrophobicContact CZ-CB 4.18Å; F173-K182 HydrophobicContact CZ-CD 4.41Å; F173-K182 HydrophobicContact CZ-CG 4.37Å; F173-K182 PolarHBondContact O-NZ 3.48Å; F173-I185 HydrophobicContact CB-CD1 4.25Å; F173-I185 HydrophobicContact CB-CG2 3.99Å; F173-I185 HydrophobicContact CD2-CB 3.9Å; F173-I185 HydrophobicContact CD2-CG2 3.74Å; F173-I185 HydrophobicContact CG-CG2 4.31Å; F173-A186 HydrophobicContact CE2-CB 4.24Å; F173-A212 HydrophobicContact CD1-CB 4.05Å; F173-A212 WeakPolarHBondContact CE1-O 3.33Å; F173-L213 HydrophobicContact CZ-CD2 4.35Å; F173-P216 HydrophobicContact CE1-CG 4.04Å; F173-P216 HydrophobicContact CZ-CG 4.11Å; F173-L253 HydrophobicContact CE2-CD1 4.25Å; F173-L253 HydrophobicContact CZ-CD1 4.32Å
174S95.5Very high95.9Very high74 Ų7451.7 Ų51.752%0.51727%0.272SS..Hα-helixtrans-71.8-30.7-177.8-550000112.9M170 L172M170-S174 WeakPolarHBondContact O-CB 3.31Å; M170-S174 PolarHBondContact O-N 2.94Å; M170-S174 PolarHBondContact O-OG 3.4Å; L172-S174 VanDerWaalsContact C-N 3.25Å; L172-S174 PolarHBondContact O-N 2.96Å
175K94.6Very high96.2Very high177 Ų17746.4 Ų46.477%0.7725%0.247SC*.Hα-helixtrans-90.8-26.4-175.2-73.1175.5-177.3-179.50114.6G171 L172G171-K175 WeakPolarHBondContact O-CB 3.4Å; G171-K175 WeakPolarHBondContact O-CD 3.23Å; G171-K175 WeakPolarHBondContact O-CG 3.18Å; G171-K175 PolarHBondContact O-N 3.24Å; L172-K175 PolarHBondContact O-N 3.04Å; L172-K175 VanDerWaalsContact O-N 3.15Å
176V94.7Very high96.4Very high16 Ų1646.2 Ų46.210%0.09725%0.246CC..  trans-81.1135.5-17672.20000110.4L172 I181 K182L172-V176 WeakPolarHBondContact O-CB 3.21Å; L172-V176 WeakPolarHBondContact O-CG1 3.29Å; L172-V176 PolarHBondContact O-N 3.25Å; V176-I181 HydrophobicContact CB-CG2 4.45Å; V176-I181 HydrophobicContact CG1-CB 4.35Å; V176-I181 HydrophobicContact CG1-CG2 3.92Å; V176-I181 HydrophobicContact CG2-CB 4.13Å; V176-I181 HydrophobicContact CG2-CG2 4.01Å; V176-K182 HydrophobicContact CG1-CG 3.9Å; V176-K182 WeakPolarHBondContact O-CE 3.35Å; V176-K182 PolarHBondContact O-NZ 2.92Å
177D93.4Very high96.6Very high149 Ų14946.4 Ų46.480%0.79725%0.248SC*.  trans-86.2-26.1174.9-61.1-42.1000112.3V179D177-V179 PolarHBondContact O-N 3.25Å; D177-V179 VanDerWaalsContact O-N 3.07Å
178S96Very high96.8Very high53 Ų5339.7 Ų39.737%0.37122%0.223SC..  trans-62.2108.9-177.2-177.90000112.4I181 K182S178-I181 WeakPolarHBondContact O-CB 3.23Å; S178-I181 PolarHBondContact O-N 3.41Å; S178-I181 VanDerWaalsContact O-N 3.08Å; S178-K182 PolarHBondContact O-N 2.8Å; S178-K182 VanDerWaalsContact O-N 3.11Å
179V97.2Very high97Very high36 Ų3636.4 Ų36.422%0.21821%0.208CC..Hα-helixtrans-53.6-47.4176.1169.90000112.9D177 I181 K182 I183 L248 S250D177-V179 PolarHBondContact O-N 3.25Å; D177-V179 VanDerWaalsContact O-N 3.07Å; V179-I181 PolarHBondContact O-N 3.33Å; V179-K182 WeakPolarHBondContact O-CA 3.29Å; V179-K182 WeakPolarHBondContact O-CB 3.43Å; V179-K182 PolarHBondContact O-N 2.98Å; V179-I183 HydrophobicContact CG1-CD1 3.8Å; V179-I183 HydrophobicContact CG1-CG1 4.34Å; V179-I183 WeakPolarHBondContact O-CG1 3.45Å; V179-I183 PolarHBondContact O-N 2.94Å; V179-L248 HydrophobicContact CG2-CD1 3.59Å; V179-L248 HydrophobicContact CG2-CD2 4.3Å; V179-L248 HydrophobicContact CG2-CG 4.16Å; V179-S250 VanDerWaalsContact CG1-OG 3.26Å; V179-S250 WeakPolarHBondContact CG1-OG 3.43Å
180P97.6Very high97.1Very high86 Ų8638.6 Ų38.656%0.55822%0.218SC*.Hα-helixtrans-56-36.3176.5-28.935.6000113.9I183 L184P180-I183 PolarHBondContact O-N 2.98Å; P180-L184 WeakPolarHBondContact O-CG 3.39Å; P180-L184 PolarHBondContact O-N 3.21Å; P180-L184 VanDerWaalsContact O-N 3.08Å
181I97.7Very high97.2Very high20 Ų2040 Ų4010%0.10323%0.225CC..Hα-helixtrans-71-40.1177.9-62.6-61.7000110.4Q141 L144 V176 S178 V179 I183 L184 I185Q141-I181 HydrophobicContact CB-CD1 4.11Å; Q141-I181 HydrophobicContact CG-CD1 4.45Å; Q141-I181 HydrophobicContact CG-CG2 4.39Å; L144-I181 HydrophobicContact CD1-CD1 4.25Å; L144-I181 HydrophobicContact CD1-CG2 3.6Å; V176-I181 HydrophobicContact CB-CG2 4.45Å; V176-I181 HydrophobicContact CG1-CB 4.35Å; V176-I181 HydrophobicContact CG1-CG2 3.92Å; V176-I181 HydrophobicContact CG2-CB 4.13Å; V176-I181 HydrophobicContact CG2-CG2 4.01Å; S178-I181 WeakPolarHBondContact O-CB 3.23Å; S178-I181 PolarHBondContact O-N 3.41Å; S178-I181 VanDerWaalsContact O-N 3.08Å; V179-I181 PolarHBondContact O-N 3.33Å; I181-I183 VanDerWaalsContact C-N 3.32Å; I181-I183 PolarHBondContact O-N 3.48Å; I181-L184 HydrophobicContact CD1-CD1 4.26Å; I181-L184 PolarHBondContact O-N 3.13Å; I181-I185 HydrophobicContact CG2-CD1 3.94Å; I181-I185 VanDerWaalsContact O-CG1 3.31Å; I181-I185 WeakPolarHBondContact O-CG1 3.46Å; I181-I185 PolarHBondContact O-N 3.12Å
182K98.3Very high97.4Very high22 Ų2238.6 Ų38.610%0.09621%0.211CC..Hα-helixtrans-59.9-42.9173.2-67.8-176.7-172.2-75.40111.2F173 V176 S178 V179 L184 I185 A186 L248 L253F173-K182 HydrophobicContact CD2-CB 4.16Å; F173-K182 HydrophobicContact CD2-CG 4.29Å; F173-K182 HydrophobicContact CE2-CB 3.66Å; F173-K182 HydrophobicContact CE2-CG 4.08Å; F173-K182 WeakPolarHBondContact CE2-O 3.46Å; F173-K182 HydrophobicContact CZ-CB 4.18Å; F173-K182 HydrophobicContact CZ-CD 4.41Å; F173-K182 HydrophobicContact CZ-CG 4.37Å; F173-K182 PolarHBondContact O-NZ 3.48Å; V176-K182 HydrophobicContact CG1-CG 3.9Å; V176-K182 WeakPolarHBondContact O-CE 3.35Å; V176-K182 PolarHBondContact O-NZ 2.92Å; S178-K182 PolarHBondContact O-N 2.8Å; S178-K182 VanDerWaalsContact O-N 3.11Å; V179-K182 WeakPolarHBondContact O-CA 3.29Å; V179-K182 WeakPolarHBondContact O-CB 3.43Å; V179-K182 PolarHBondContact O-N 2.98Å; K182-L184 PolarHBondContact O-N 3.4Å; K182-I185 PolarHBondContact O-N 2.82Å; K182-A186 WeakPolarHBondContact O-CB 3.42Å; K182-A186 PolarHBondContact O-N 2.91Å; K182-L248 HydrophobicContact CD-CD2 3.98Å; K182-L253 HydrophobicContact CB-CD1 3.94Å; K182-L253 HydrophobicContact CB-CD2 3.97Å; K182-L253 HydrophobicContact CD-CD2 4.04Å
183I98.6Very high97.5Very high22 Ų2237.1 Ų37.111%0.11320%0.203CC..Hα-helixtrans-59.7-47.4177.2-67.8164.4000110.6V179 P180 I181 I185 A186 G187 E252 L253V179-I183 HydrophobicContact CG1-CD1 3.8Å; V179-I183 HydrophobicContact CG1-CG1 4.34Å; V179-I183 WeakPolarHBondContact O-CG1 3.45Å; V179-I183 PolarHBondContact O-N 2.94Å; P180-I183 PolarHBondContact O-N 2.98Å; I181-I183 VanDerWaalsContact C-N 3.32Å; I181-I183 PolarHBondContact O-N 3.48Å; I183-I185 VanDerWaalsContact C-N 3.34Å; I183-I185 PolarHBondContact O-N 3.28Å; I183-A186 PolarHBondContact O-N 2.82Å; I183-G187 PolarHBondContact O-N 3.01Å; I183-E252 HydrophobicContact CD1-CB 4.02Å; I183-E252 HydrophobicContact CD1-CG 4.03Å; I183-E252 HydrophobicContact CG1-CG 4.5Å; I183-E252 HydrophobicContact CG2-CG 4.16Å; I183-L253 HydrophobicContact CD1-CB 4.44Å; I183-L253 HydrophobicContact CG1-CB 3.77Å; I183-L253 HydrophobicContact CG1-CD1 4.13Å
184L98.7Very high97.5Very high35 Ų3541.7 Ų41.718%0.18322%0.223CC..Hα-helixtrans-58.8-45.2177.4-68.5172.7000112.1L144 P145 L148 P180 I181 K182 G187 I188L144-L184 HydrophobicContact CB-CB 4.04Å; L144-L184 HydrophobicContact CB-CD1 3.84Å; P145-L184 HydrophobicContact CB-CD2 4.48Å; P145-L184 HydrophobicContact CG-CD1 3.83Å; P145-L184 HydrophobicContact CG-CD2 4.3Å; L148-L184 HydrophobicContact CD2-CD2 3.65Å; P180-L184 WeakPolarHBondContact O-CG 3.39Å; P180-L184 PolarHBondContact O-N 3.21Å; P180-L184 VanDerWaalsContact O-N 3.08Å; I181-L184 HydrophobicContact CD1-CD1 4.26Å; I181-L184 PolarHBondContact O-N 3.13Å; K182-L184 PolarHBondContact O-N 3.4Å; L184-G187 PolarHBondContact O-N 3.11Å; L184-I188 WeakPolarHBondContact O-CG1 2.98Å; L184-I188 PolarHBondContact O-N 3.19Å
185I98.6Very high97.6Very high0 Ų038.2 Ų38.20%020%0.2CC..Hα-helixtrans-66.5-45.3178.9-63.8168.4000111L144 L169 M170 L172 F173 I181 K182 I183 G187 I188 I189L144-I185 HydrophobicContact CD1-CD1 4.2Å; L144-I185 HydrophobicContact CD1-CG1 3.85Å; L144-I185 HydrophobicContact CD2-CG1 4.03Å; L169-I185 HydrophobicContact CD1-CB 4.25Å; L169-I185 HydrophobicContact CD1-CD1 4.23Å; L169-I185 HydrophobicContact CD1-CG1 3.79Å; L169-I185 HydrophobicContact CD1-CG2 3.63Å; L169-I185 HydrophobicContact CD2-CG2 4.2Å; L169-I185 HydrophobicContact CG-CG2 3.61Å; M170-I185 HydrophobicContact CE-CG2 3.88Å; L172-I185 HydrophobicContact CB-CD1 4.36Å; L172-I185 HydrophobicContact CD2-CD1 3.87Å; L172-I185 HydrophobicContact CG-CD1 3.83Å; F173-I185 HydrophobicContact CB-CD1 4.25Å; F173-I185 HydrophobicContact CB-CG2 3.99Å; F173-I185 HydrophobicContact CD2-CB 3.9Å; F173-I185 HydrophobicContact CD2-CG2 3.74Å; F173-I185 HydrophobicContact CG-CG2 4.31Å; I181-I185 HydrophobicContact CG2-CD1 3.94Å; I181-I185 VanDerWaalsContact O-CG1 3.31Å; I181-I185 WeakPolarHBondContact O-CG1 3.46Å; I181-I185 PolarHBondContact O-N 3.12Å; K182-I185 PolarHBondContact O-N 2.82Å; I183-I185 VanDerWaalsContact C-N 3.34Å; I183-I185 PolarHBondContact O-N 3.28Å; I185-G187 VanDerWaalsContact C-N 3.26Å; I185-G187 PolarHBondContact O-N 2.96Å; I185-I188 WeakPolarHBondContact O-CB 3.38Å; I185-I188 PolarHBondContact O-N 3.49Å; I185-I188 VanDerWaalsContact O-N 3.16Å; I185-I189 WeakPolarHBondContact O-CG1 3.47Å; I185-I189 PolarHBondContact O-N 3.47Å
186A98.7Very high97.7Very high0 Ų031.9 Ų31.90%017%0.174CC..Hα-helixtrans-60.1-38.717600000111.2F173 K182 I183 I189 K190 L253 T256 I257F173-A186 HydrophobicContact CE2-CB 4.24Å; K182-A186 WeakPolarHBondContact O-CB 3.42Å; K182-A186 PolarHBondContact O-N 2.91Å; I183-A186 PolarHBondContact O-N 2.82Å; A186-I189 PolarHBondContact O-N 3.5Å; A186-K190 WeakPolarHBondContact O-CB 3.4Å; A186-K190 PolarHBondContact O-N 3.41Å; A186-L253 HydrophobicContact CB-CD1 3.96Å; A186-T256 VanDerWaalsContact C-CG2 3.49Å; A186-T256 HydrophobicContact CB-CG2 3.64Å; A186-I257 HydrophobicContact CB-CG1 4.34Å
187G98.8Very high97.8Very high4 Ų435.8 Ų35.84%0.04119%0.191CC..Hα-helixtrans-64-38.817500000113I183 L184 I185 I189 K190 N191I183-G187 PolarHBondContact O-N 3.01Å; L184-G187 PolarHBondContact O-N 3.11Å; I185-G187 VanDerWaalsContact C-N 3.26Å; I185-G187 PolarHBondContact O-N 2.96Å; G187-I189 VanDerWaalsContact C-N 3.33Å; G187-K190 WeakPolarHBondContact O-CB 3.49Å; G187-K190 PolarHBondContact O-N 3.49Å; G187-N191 PolarHBondContact O-N 3.35Å
188I98.7Very high98Very high0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-61.5-45173.4-69.6160.6000109.9L144 V147 L148 V160 L169 L184 I185 N191 C192L144-I188 HydrophobicContact CD2-CD1 3.82Å; V147-I188 HydrophobicContact CB-CD1 4Å; V147-I188 HydrophobicContact CG1-CD1 3.76Å; V147-I188 HydrophobicContact CG1-CG1 4.18Å; V147-I188 HydrophobicContact CG1-CG2 4.44Å; L148-I188 VanDerWaalsContact CA-CG1 3.5Å; L148-I188 HydrophobicContact CB-CG1 3.91Å; L148-I188 HydrophobicContact CD1-CG1 4.2Å; V160-I188 HydrophobicContact CG1-CG2 3.75Å; V160-I188 HydrophobicContact CG2-CG2 4.24Å; L169-I188 HydrophobicContact CD2-CG2 3.95Å; L184-I188 WeakPolarHBondContact O-CG1 2.98Å; L184-I188 PolarHBondContact O-N 3.19Å; I185-I188 WeakPolarHBondContact O-CB 3.38Å; I185-I188 PolarHBondContact O-N 3.49Å; I185-I188 VanDerWaalsContact O-N 3.16Å; I188-N191 PolarHBondContact O-N 3.33Å; I188-C192 PolarHBondContact O-N 3.28Å; I188-C192 PolarHBondContact O-SG 2.61Å
189I98.7Very high98Very high0 Ų026.6 Ų26.60%014%0.138CC..Hα-helixtrans-65.2-42.6177.5-62.2-47.3000111.5L166 L169 M170 I185 A186 G187 N191 C192 S193 L202 L209 L213 T260L166-I189 HydrophobicContact CD1-CD1 3.49Å; L166-I189 VanDerWaalsContact CD1-CD1 3.49Å; L169-I189 HydrophobicContact CD2-CD1 3.89Å; M170-I189 HydrophobicContact CE-CD1 3.76Å; M170-I189 HydrophobicContact CE-CG1 3.62Å; I185-I189 WeakPolarHBondContact O-CG1 3.47Å; I185-I189 PolarHBondContact O-N 3.47Å; A186-I189 PolarHBondContact O-N 3.5Å; G187-I189 VanDerWaalsContact C-N 3.33Å; I189-N191 VanDerWaalsContact C-N 3.3Å; I189-N191 PolarHBondContact O-N 3.05Å; I189-C192 CarbonylContact O-C 3.54Å; I189-C192 WeakPolarHBondContact O-CA 3.36Å; I189-C192 WeakPolarHBondContact O-CB 3.15Å; I189-C192 PolarHBondContact O-N 3.09Å; I189-C192 VanDerWaalsContact O-N 3.08Å; I189-S193 PolarHBondContact O-N 3.31Å; I189-L202 HydrophobicContact CG2-CD2 4.42Å; I189-L209 HydrophobicContact CD1-CD1 4.28Å; I189-L209 HydrophobicContact CG1-CD1 4.1Å; I189-L209 HydrophobicContact CG2-CD1 3.79Å; I189-L209 HydrophobicContact CG2-CD2 4.32Å; I189-L213 HydrophobicContact CG2-CD1 4.43Å; I189-T260 HydrophobicContact CG2-CG2 3.76Å
190K98.8Very high98Very high49 Ų4928.8 Ų28.821%0.21315%0.154CC..Hα-helixtrans-54.4-49173-173.8-172.371.4-177.60110.6A186 G187 C192 S193 F194 Q259 T260A186-K190 WeakPolarHBondContact O-CB 3.4Å; A186-K190 PolarHBondContact O-N 3.41Å; G187-K190 WeakPolarHBondContact O-CB 3.49Å; G187-K190 PolarHBondContact O-N 3.49Å; K190-C192 VanDerWaalsContact C-N 3.3Å; K190-C192 PolarHBondContact O-N 3.32Å; K190-S193 WeakPolarHBondContact CA-OG 3.44Å; K190-S193 PolarHBondContact O-N 3.37Å; K190-S193 VanDerWaalsContact O-N 3.11Å; K190-S193 PolarHBondContact O-OG 3.34Å; K190-F194 HydrophobicContact CG-CE2 4.28Å; K190-F194 WeakPolarHBondContact O-CD2 3.43Å; K190-Q259 HydrophobicContact CD-CB 3.69Å; K190-Q259 HydrophobicContact CG-CB 4.28Å; K190-T260 WeakPolarHBondContact CA-OG1 3.31Å; K190-T260 WeakPolarHBondContact CB-OG1 3.4Å
191N98.6Very high97.9Very high34 Ų3428.2 Ų28.218%0.18214%0.144CC..Hα-helixtrans-61-41.2177.3-72.4-5.3000111.5L148 S151 R157 G187 I188 I189 S193 F194L148-N191 PolarHBondContact O-ND2 2.87Å; L148-N191 VanDerWaalsContact O-ND2 3.09Å; S151-N191 WeakPolarHBondContact OG-CB 3.46Å; S151-N191 PolarHBondContact OG-ND2 2.94Å; R157-N191 WeakPolarHBondContact CD-O 3.44Å; G187-N191 PolarHBondContact O-N 3.35Å; I188-N191 PolarHBondContact O-N 3.33Å; I189-N191 VanDerWaalsContact C-N 3.3Å; I189-N191 PolarHBondContact O-N 3.05Å; N191-S193 VanDerWaalsContact C-N 3.32Å; N191-S193 PolarHBondContact O-N 3.48Å; N191-F194 PolarHBondContact O-N 3.33Å
192C98.6Very high97.9Very high0 Ų027.3 Ų27.30%014%0.139CC..Hα-helixtrans-59.8-38.6173.6-67.20000113.1C161 I188 I189 K190 F194 G195 L202C161-C192 VanDerWaalsContact SG-CB 3.56Å; I188-C192 PolarHBondContact O-N 3.28Å; I188-C192 PolarHBondContact O-SG 2.61Å; I189-C192 CarbonylContact O-C 3.54Å; I189-C192 WeakPolarHBondContact O-CA 3.36Å; I189-C192 WeakPolarHBondContact O-CB 3.15Å; I189-C192 PolarHBondContact O-N 3.09Å; I189-C192 VanDerWaalsContact O-N 3.08Å; K190-C192 VanDerWaalsContact C-N 3.3Å; K190-C192 PolarHBondContact O-N 3.32Å; C192-F194 PolarHBondContact O-N 3.12Å; C192-G195 PolarHBondContact O-N 3.07Å; C192-G195 VanDerWaalsContact O-N 3.11Å; C192-L202 HydrophobicContact CB-CD1 4.31Å; C192-L202 HydrophobicContact CB-CD2 4.36Å
193S98.3Very high97.8Very high0 Ų026.9 Ų26.90%014%0.137CC..THydrogen-bonded Turntrans-70-7.1-179.269.80000115.2I189 K190 N191 G195 H199 Q263 R339I189-S193 PolarHBondContact O-N 3.31Å; K190-S193 WeakPolarHBondContact CA-OG 3.44Å; K190-S193 PolarHBondContact O-N 3.37Å; K190-S193 VanDerWaalsContact O-N 3.11Å; K190-S193 PolarHBondContact O-OG 3.34Å; N191-S193 VanDerWaalsContact C-N 3.32Å; N191-S193 PolarHBondContact O-N 3.48Å; S193-G195 VanDerWaalsContact C-N 3.29Å; S193-H199 PolarHBondContact O-NE2 3.26Å; S193-H199 VanDerWaalsContact O-NE2 3.12Å; S193-Q263 WeakPolarHBondContact OG-CB 3.32Å; S193-Q263 WeakPolarHBondContact OG-CG 3.32Å; S193-R339 PolarHBondContact O-NH2 3.11Å
194F97.7Very high97.5Very high98 Ų9829.6 Ų29.643%0.4315%0.152SC..THydrogen-bonded Turntrans-73.7-21.8168.6-74.7-85.9000112.9K190 N191 C192 D196 Q263K190-F194 HydrophobicContact CG-CE2 4.28Å; K190-F194 WeakPolarHBondContact O-CD2 3.43Å; N191-F194 PolarHBondContact O-N 3.33Å; C192-F194 PolarHBondContact O-N 3.12Å; F194-D196 PolarHBondContact O-N 3.46Å; F194-Q263 HydrophobicContact CD1-CG 4.33Å; F194-Q263 VanDerWaalsContact CD1-OE1 3.26Å; F194-Q263 HydrophobicContact CD2-CG 4.34Å; F194-Q263 VanDerWaalsContact CE1-CD 3.45Å; F194-Q263 HydrophobicContact CE1-CG 4.11Å; F194-Q263 HydrophobicContact CE2-CG 4.14Å; F194-Q263 HydrophobicContact CG-CG 4.45Å; F194-Q263 HydrophobicContact CZ-CG 4.01Å
195G97.2Very high96.7Very high2 Ų236.4 Ų36.42%0.02118%0.18CC..  trans-83.7100.517300000110.2C192 S193 E197 L198 H199C192-G195 PolarHBondContact O-N 3.07Å; C192-G195 VanDerWaalsContact O-N 3.11Å; S193-G195 VanDerWaalsContact C-N 3.29Å; G195-E197 WeakPolarHBondContact CA-OE2 3.41Å; G195-E197 PolarHBondContact O-N 3.28Å; G195-L198 WeakPolarHBondContact O-CB 3.33Å; G195-L198 PolarHBondContact O-N 2.96Å; G195-H199 PolarHBondContact O-CD2 3.09Å
196D97.1Very high95.9Very high43 Ų4338.6 Ų38.623%0.2320%0.203CC..G310 helixtrans-56.5-32.2176.7-76.3-34.1000111.7F194 L198 H199 S266 T267 S337 R339F194-D196 PolarHBondContact O-N 3.46Å; D196-L198 PolarHBondContact O-N 2.96Å; D196-H199 WeakPolarHBondContact O-CB 3.41Å; D196-H199 PolarHBondContact O-N 2.96Å; D196-H199 IonicContact OD1-CE1 3.34Å; D196-H199 PolarHBondContact OD1-CE1 3.31Å; D196-H199 IonicContact OD1-ND1 3.44Å; D196-H199 IonicContact OD1-NE2 3.68Å; D196-S266 PolarHBondContact OD1-OG 2.76Å; D196-T267 HydrophobicContact CB-CG2 3.91Å; D196-T267 VanDerWaalsContact OD1-CG2 3.23Å; D196-T267 WeakPolarHBondContact OD1-CG2 3.02Å; D196-S337 WeakPolarHBondContact OD2-CB 3.28Å; D196-S337 PolarHBondContact OD2-OG 3.3Å; D196-R339 IonicContact OD1-CZ 3.71Å; D196-R339 IonicContact OD1-NH1 3.98Å; D196-R339 PolarHBondContact OD1-NH1 3.43Å; D196-R339 IonicContact OD2-NH1 2.81Å; D196-R339 PolarHBondContact OD2-NH1 3Å
197E96.1Very high95.3Very high99 Ų9939 Ų3946%0.46321%0.206SC..G310 helixtrans-63.1-22.5174.975.2-73.7178.600113.7H158 G195H158-E197 IonicContact CE1-OE1 3.9Å; H158-E197 PolarHBondContact CE1-OE1 2.9Å; G195-E197 WeakPolarHBondContact CA-OE2 3.41Å; G195-E197 PolarHBondContact O-N 3.28Å
198L97.5Very high95Very high5 Ų540 Ų403%0.02622%0.215CC..G310 helixtrans-93.5-4.8-177.7-58.8174.6000113.2R157 C161 G195 D196 C200 E201 L202R157-L198 HydrophobicContact CB-CD1 3.59Å; C161-L198 HydrophobicContact CB-CD1 4.43Å; C161-L198 HydrophobicContact CB-CD2 4.07Å; G195-L198 WeakPolarHBondContact O-CB 3.33Å; G195-L198 PolarHBondContact O-N 2.96Å; D196-L198 PolarHBondContact O-N 2.96Å; L198-C200 PolarHBondContact O-N 3.39Å; L198-E201 WeakPolarHBondContact CA-OE2 3.25Å; L198-E201 PolarHBondContact O-N 3.32Å; L198-L202 HydrophobicContact CB-CD1 4.24Å; L198-L202 WeakPolarHBondContact O-CB 3.41Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.46Å; L198-L202 PolarHBondContact O-N 3.3Å
199H97.2Very high94.9Very high3 Ų340.3 Ų40.31%0.01422%0.217CC..Hα-helixtrans-60.3-36.3-178.5-78.4-167.5000111.9S193 G195 D196 E201 L202 F203 F264 S266 T267S193-H199 PolarHBondContact O-NE2 3.26Å; S193-H199 VanDerWaalsContact O-NE2 3.12Å; G195-H199 PolarHBondContact O-CD2 3.09Å; D196-H199 WeakPolarHBondContact O-CB 3.41Å; D196-H199 PolarHBondContact O-N 2.96Å; D196-H199 IonicContact OD1-CE1 3.34Å; D196-H199 PolarHBondContact OD1-CE1 3.31Å; D196-H199 IonicContact OD1-ND1 3.44Å; D196-H199 IonicContact OD1-NE2 3.68Å; H199-E201 PolarHBondContact O-N 2.75Å; H199-L202 PolarHBondContact O-N 3.39Å; H199-F203 HydrophobicContact CB-CD2 4.21Å; H199-F203 HydrophobicContact CB-CE2 3.65Å; H199-F203 HydrophobicContact CB-CZ 3.98Å; H199-F203 AromaticContact CG-CZ 3.96Å; H199-F203 WeakPolarHBondContact O-CB 3.12Å; H199-F203 WeakPolarHBondContact O-CD2 3.5Å; H199-F203 WeakPolarHBondContact O-CG 3.34Å; H199-F203 PolarHBondContact O-N 3.22Å; H199-F264 AromaticContact CD2-CD1 3.9Å; H199-F264 AromaticContact NE2-CD1 3.63Å; H199-S266 PolarHBondContact CE1-OG 3.26Å; H199-T267 PolarHBondContact ND1-OG1 3.35Å
200C95.5Very high94.9Very high83 Ų8340.9 Ų40.956%0.56122%0.22SC*.Hα-helixtrans-62.3-42.8178.8-69.10000112L198 N204L198-C200 PolarHBondContact O-N 3.39Å; C200-N204 PolarHBondContact O-N 3.45Å
201E96.2Very high94.7Very high73 Ų7341 Ų4134%0.34122%0.223SC..Hα-helixtrans-68.9-42.6176.9-69.276.9-175.200111.3C161 L198 H199 F203 N204C161-E201 HydrophobicContact CB-CB 4.49Å; L198-E201 WeakPolarHBondContact CA-OE2 3.25Å; L198-E201 PolarHBondContact O-N 3.32Å; H199-E201 PolarHBondContact O-N 2.75Å; E201-F203 VanDerWaalsContact C-N 3.34Å; E201-F203 PolarHBondContact O-N 3.39Å; E201-N204 VanDerWaalsContact O-CB 3.28Å; E201-N204 WeakPolarHBondContact O-CB 3.47Å; E201-N204 PolarHBondContact O-N 3.14Å
202L97.7Very high94.6Very high1 Ų139.8 Ų39.81%0.00522%0.217CC..Hα-helixtrans-64.3-38.1179.3-72.1166.2000111.9L166 I189 C192 L198 H199 N204 L209 F264L166-L202 HydrophobicContact CD1-CD2 4Å; L166-L202 HydrophobicContact CD2-CD2 3.85Å; I189-L202 HydrophobicContact CG2-CD2 4.42Å; C192-L202 HydrophobicContact CB-CD1 4.31Å; C192-L202 HydrophobicContact CB-CD2 4.36Å; L198-L202 HydrophobicContact CB-CD1 4.24Å; L198-L202 WeakPolarHBondContact O-CB 3.41Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.46Å; L198-L202 PolarHBondContact O-N 3.3Å; H199-L202 PolarHBondContact O-N 3.39Å; L202-N204 VanDerWaalsContact C-N 3.32Å; L202-L209 HydrophobicContact CB-CD2 3.79Å; L202-L209 HydrophobicContact CD2-CD2 3.91Å; L202-L209 HydrophobicContact CG-CD2 4.46Å; L202-L209 WeakPolarHBondContact O-CB 3.49Å; L202-L209 WeakPolarHBondContact O-CD2 3.46Å; L202-F264 HydrophobicContact CB-CE1 4.29Å; L202-F264 HydrophobicContact CB-CZ 4.32Å; L202-F264 HydrophobicContact CD1-CE1 3.8Å; L202-F264 HydrophobicContact CD1-CZ 4.3Å
203F96.7Very high94.6Very high14 Ų1439.8 Ų39.86%0.06122%0.217CC..THydrogen-bonded Turntrans-85.5-1.9179.5-56.4-22.7000114H199 E201 K205 F264 H269 G270 F273H199-F203 HydrophobicContact CB-CD2 4.21Å; H199-F203 HydrophobicContact CB-CE2 3.65Å; H199-F203 HydrophobicContact CB-CZ 3.98Å; H199-F203 AromaticContact CG-CZ 3.96Å; H199-F203 WeakPolarHBondContact O-CB 3.12Å; H199-F203 WeakPolarHBondContact O-CD2 3.5Å; H199-F203 WeakPolarHBondContact O-CG 3.34Å; H199-F203 PolarHBondContact O-N 3.22Å; E201-F203 VanDerWaalsContact C-N 3.34Å; E201-F203 PolarHBondContact O-N 3.39Å; F203-K205 PolarHBondContact O-N 3.21Å; F203-F264 HydrophobicContact CE1-CB 4.22Å; F203-F264 AromaticContact CE1-CD1 3.51Å; F203-F264 HydrophobicContact CE1-CD1 3.51Å; F203-F264 AromaticContact CE1-CD2 3.6Å; F203-F264 HydrophobicContact CE1-CD2 3.6Å; F203-F264 AromaticContact CE1-CE1 3.61Å; F203-F264 HydrophobicContact CE1-CE1 3.61Å; F203-F264 AromaticContact CE1-CE2 3.72Å; F203-F264 HydrophobicContact CE1-CE2 3.72Å; F203-F264 AromaticContact CE1-CG 3.51Å; F203-F264 HydrophobicContact CE1-CG 3.51Å; F203-F264 AromaticContact CE1-CZ 3.73Å; F203-F264 HydrophobicContact CE1-CZ 3.73Å; F203-F264 HydrophobicContact CZ-CB 3.86Å; F203-F264 AromaticContact CZ-CD1 3.55Å; F203-F264 HydrophobicContact CZ-CD1 3.55Å; F203-F264 HydrophobicContact CZ-CD2 4.14Å; F203-F264 HydrophobicContact CZ-CE1 4.07Å; F203-F264 AromaticContact CZ-CG 3.59Å; F203-F264 HydrophobicContact CZ-CG 3.59Å; F203-H269 AromaticContact CD2-CD2 3.55Å; F203-H269 AromaticContact CD2-NE2 3.5Å; F203-H269 AromaticContact CE2-CD2 3.75Å; F203-G270 VanDerWaalsContact CE2-CA 3.48Å; F203-F273 HydrophobicContact CB-CD1 4.3Å; F203-F273 HydrophobicContact CB-CD2 3.95Å; F203-F273 HydrophobicContact CB-CE1 4.16Å; F203-F273 HydrophobicContact CB-CE2 3.79Å; F203-F273 HydrophobicContact CB-CG 4.2Å; F203-F273 HydrophobicContact CB-CZ 3.9Å; F203-F273 AromaticContact CD1-CD1 3.57Å; F203-F273 HydrophobicContact CD1-CD1 3.57Å; F203-F273 AromaticContact CD1-CE1 3.52Å; F203-F273 HydrophobicContact CD1-CE1 3.52Å; F203-F273 HydrophobicContact CD1-CG 4.2Å; F203-F273 HydrophobicContact CD1-CZ 4.11Å; F203-F273 HydrophobicContact CD2-CB 4.06Å; F203-F273 HydrophobicContact CD2-CD1 4.07Å; F203-F273 HydrophobicContact CD2-CD2 4.37Å; F203-F273 AromaticContact CD2-CG 3.91Å; F203-F273 HydrophobicContact CD2-CG 3.91Å; F203-F273 AromaticContact CE1-CD1 3.87Å; F203-F273 HydrophobicContact CE1-CD1 3.87Å; F203-F273 HydrophobicContact CE1-CE1 4.12Å; F203-F273 HydrophobicContact CE2-CB 4.23Å; F203-F273 HydrophobicContact CE2-CD1 4.34Å; F203-F273 HydrophobicContact CE2-CG 4.38Å; F203-F273 HydrophobicContact CG-CB 4.48Å; F203-F273 AromaticContact CG-CD1 3.7Å; F203-F273 HydrophobicContact CG-CD1 3.7Å; F203-F273 HydrophobicContact CG-CD2 4.11Å; F203-F273 AromaticContact CG-CE1 3.86Å; F203-F273 HydrophobicContact CG-CE1 3.86Å; F203-F273 HydrophobicContact CG-CE2 4.25Å; F203-F273 AromaticContact CG-CG 3.83Å; F203-F273 HydrophobicContact CG-CG 3.83Å; F203-F273 HydrophobicContact CG-CZ 4.13Å; F203-F273 HydrophobicContact CZ-CD1 4.26Å
204N92.2Very high94.6Very high78 Ų7839.8 Ų39.842%0.41722%0.217SC..  trans-58.6116.4177.9-173.1-47.9000110.2C200 E201 L202 G206 V207C200-N204 PolarHBondContact O-N 3.45Å; E201-N204 VanDerWaalsContact O-CB 3.28Å; E201-N204 WeakPolarHBondContact O-CB 3.47Å; E201-N204 PolarHBondContact O-N 3.14Å; L202-N204 VanDerWaalsContact C-N 3.32Å; N204-G206 PolarHBondContact O-N 3.02Å; N204-G206 PolarHBondContact OD1-N 3.03Å; N204-V207 HydrophobicContact CB-CG2 4.1Å; N204-V207 VanDerWaalsContact O-CB 3.24Å; N204-V207 WeakPolarHBondContact O-CB 3.24Å; N204-V207 PolarHBondContact O-N 2.6Å
205K80.7Confident94.5Very high178 Ų17836.8 Ų36.877%0.77421%0.207SC*.THydrogen-bonded Turntrans-57.6-27.8-177-67.1-174.3176.4-175.80113.6F203 V207 G208F203-K205 PolarHBondContact O-N 3.21Å; K205-V207 PolarHBondContact O-N 2.69Å; K205-G208 PolarHBondContact O-N 3.01Å
206G83.5Confident94.5Very high47 Ų4737 Ų3749%0.48521%0.208SC..THydrogen-bonded Turntrans-69.5-6.6176.100000114.7R167 N204R167-G206 PolarHBondContact NE-O 3.09Å; N204-G206 PolarHBondContact O-N 3.02Å; N204-G206 PolarHBondContact OD1-N 3.03Å
207V85.4Confident94.5Very high9 Ų935 Ų356%0.05520%0.197CC..THydrogen-bonded Turntrans-91-34173.3171.10000111.5L166 M170 N204 K205 L209L166-V207 HydrophobicContact CB-CG1 4.08Å; L166-V207 HydrophobicContact CB-CG2 4.4Å; L166-V207 HydrophobicContact CD2-CB 4.28Å; L166-V207 HydrophobicContact CD2-CG1 3.52Å; L166-V207 HydrophobicContact CD2-CG2 3.93Å; L166-V207 HydrophobicContact CG-CB 4.5Å; L166-V207 HydrophobicContact CG-CG1 3.4Å; L166-V207 HydrophobicContact CG-CG2 4.33Å; M170-V207 HydrophobicContact CG-CG1 3.89Å; N204-V207 HydrophobicContact CB-CG2 4.1Å; N204-V207 VanDerWaalsContact O-CB 3.24Å; N204-V207 WeakPolarHBondContact O-CB 3.24Å; N204-V207 PolarHBondContact O-N 2.6Å; K205-V207 PolarHBondContact O-N 2.69Å; V207-L209 VanDerWaalsContact C-N 3.33Å; V207-L209 HydrophobicContact CG1-CB 4.08Å
208G93.1Very high94.6Very high24 Ų2430.2 Ų30.225%0.24718%0.175CC..  trans69.725.6-176.100000114.4K205 A212K205-G208 PolarHBondContact O-N 3.01Å; G208-A212 WeakPolarHBondContact O-CB 3.4Å; G208-A212 PolarHBondContact O-N 3.48Å
209L96.9Very high94.5Very high6 Ų630 Ų303%0.03117%0.174CC..Hα-helixtrans-57.1-51.9-178.7-178.871.2000111.8M170 I189 L202 V207 A212 L213 F264M170-L209 HydrophobicContact CE-CD1 3.95Å; M170-L209 HydrophobicContact CG-CD1 4.03Å; M170-L209 HydrophobicContact SD-CB 4.5Å; M170-L209 HydrophobicContact SD-CD1 3.27Å; M170-L209 WeakPolarHBondContact SD-CD1 3.41Å; M170-L209 HydrophobicContact SD-CG 4.41Å; I189-L209 HydrophobicContact CD1-CD1 4.28Å; I189-L209 HydrophobicContact CG1-CD1 4.1Å; I189-L209 HydrophobicContact CG2-CD1 3.79Å; I189-L209 HydrophobicContact CG2-CD2 4.32Å; L202-L209 HydrophobicContact CB-CD2 3.79Å; L202-L209 HydrophobicContact CD2-CD2 3.91Å; L202-L209 HydrophobicContact CG-CD2 4.46Å; L202-L209 WeakPolarHBondContact O-CB 3.49Å; L202-L209 WeakPolarHBondContact O-CD2 3.46Å; V207-L209 VanDerWaalsContact C-N 3.33Å; V207-L209 HydrophobicContact CG1-CB 4.08Å; L209-A212 PolarHBondContact O-N 3.31Å; L209-L213 HydrophobicContact CD1-CD1 4.16Å; L209-L213 HydrophobicContact CD1-CG 4.35Å; L209-L213 HydrophobicContact CG-CD1 4.12Å; L209-L213 HydrophobicContact CG-CG 4.5Å; L209-L213 WeakPolarHBondContact O-CG 3.43Å; L209-L213 PolarHBondContact O-N 3.49Å; L209-F264 HydrophobicContact CD2-CE2 4.28Å; L209-F264 HydrophobicContact CD2-CZ 3.87Å
210L97.2Very high94.5Very high12 Ų1232.5 Ų32.56%0.06319%0.19CC..Hα-helixtrans-64.2-45.8-174-174.364.2000111.6A212 L213 L214 P233 F261 F273 L274 N277 V279L210-A212 VanDerWaalsContact C-N 3.33Å; L210-A212 PolarHBondContact O-N 2.96Å; L210-L213 PolarHBondContact O-N 3.5Å; L210-L214 HydrophobicContact CD1-CD1 3.97Å; L210-L214 HydrophobicContact CD1-CG 4.02Å; L210-L214 HydrophobicContact CD2-CD1 4.33Å; L210-L214 HydrophobicContact CG-CD1 3.79Å; L210-L214 HydrophobicContact CG-CG 4.23Å; L210-L214 WeakPolarHBondContact O-CB 3.26Å; L210-L214 WeakPolarHBondContact O-CG 3.21Å; L210-L214 PolarHBondContact O-N 3.09Å; L210-P233 HydrophobicContact CD2-CG 4.08Å; L210-P233 HydrophobicContact CG-CG 4.4Å; L210-F261 HydrophobicContact CD1-CE1 3.94Å; L210-F261 HydrophobicContact CD1-CZ 4.22Å; L210-F273 HydrophobicContact CB-CE1 4.2Å; L210-F273 HydrophobicContact CB-CZ 4.12Å; L210-F273 HydrophobicContact CD1-CE1 4.37Å; L210-F273 HydrophobicContact CD2-CE1 3.8Å; L210-F273 HydrophobicContact CD2-CZ 3.85Å; L210-F273 HydrophobicContact CG-CE1 4.35Å; L210-L274 HydrophobicContact CD1-CD2 4.2Å; L210-N277 HydrophobicContact CD2-CB 3.28Å; L210-N277 VanDerWaalsContact CD2-CG 3.5Å; L210-V279 HydrophobicContact CD1-CG2 3.88Å; L210-V279 HydrophobicContact CD2-CG2 4.34Å
211D95.5Very high94.5Very high53 Ų5332.5 Ų32.528%0.28318%0.182SC..Hα-helixtrans-52.6-51172.2-64.6-114.6000111.1L213 L214 V215 P233 S235D211-L213 VanDerWaalsContact C-N 3.33Å; D211-L213 PolarHBondContact O-N 3.14Å; D211-L214 PolarHBondContact O-N 3.45Å; D211-V215 VanDerWaalsContact O-CG2 3.26Å; D211-V215 WeakPolarHBondContact O-CG2 3.49Å; D211-V215 PolarHBondContact O-N 3.35Å; D211-V215 VanDerWaalsContact O-N 3.13Å; D211-P233 WeakPolarHBondContact OD1-CB 3Å; D211-S235 WeakPolarHBondContact CB-OG 3.47Å; D211-S235 PolarHBondContact OD1-OG 2.87Å
212A96.5Very high94.5Very high7 Ų729.3 Ų29.36%0.05817%0.168CC..Hα-helixtrans-59.4-41.9-17900000112.2M170 F173 G208 L209 L210 P216M170-A212 HydrophobicContact SD-CB 3.9Å; F173-A212 HydrophobicContact CD1-CB 4.05Å; F173-A212 WeakPolarHBondContact CE1-O 3.33Å; G208-A212 WeakPolarHBondContact O-CB 3.4Å; G208-A212 PolarHBondContact O-N 3.48Å; L209-A212 PolarHBondContact O-N 3.31Å; L210-A212 VanDerWaalsContact C-N 3.33Å; L210-A212 PolarHBondContact O-N 2.96Å; A212-P216 WeakPolarHBondContact O-CD 3.49Å
213L98Very high94.5Very high0 Ų033.8 Ų33.80%020%0.198CC..Hα-helixtrans-76.6-31.5-179-63.1-177000113.6F173 I189 L209 L210 D211 P216 I257 T260 F261F173-L213 HydrophobicContact CZ-CD2 4.35Å; I189-L213 HydrophobicContact CG2-CD1 4.43Å; L209-L213 HydrophobicContact CD1-CD1 4.16Å; L209-L213 HydrophobicContact CD1-CG 4.35Å; L209-L213 HydrophobicContact CG-CD1 4.12Å; L209-L213 HydrophobicContact CG-CG 4.5Å; L209-L213 WeakPolarHBondContact O-CG 3.43Å; L209-L213 PolarHBondContact O-N 3.49Å; L210-L213 PolarHBondContact O-N 3.5Å; D211-L213 VanDerWaalsContact C-N 3.33Å; D211-L213 PolarHBondContact O-N 3.14Å; L213-P216 WeakPolarHBondContact O-CD 3.34Å; L213-P216 WeakPolarHBondContact O-CG 3.49Å; L213-I257 HydrophobicContact CB-CG2 4.01Å; L213-I257 HydrophobicContact CD2-CG1 4.21Å; L213-T260 HydrophobicContact CD1-CG2 4.29Å; L213-F261 HydrophobicContact CB-CE1 4.27Å; L213-F261 HydrophobicContact CB-CZ 4.09Å; L213-F261 HydrophobicContact CD1-CE1 4.06Å
214L97.9Very high94.5Very high0 Ų033.4 Ų33.40%020%0.196CC..Hα-helixtrans-78.8-34.4-179.3-70.8178.3000113.4L210 D211 L217 C218 P233 V236 F261 V279 I282L210-L214 HydrophobicContact CD1-CD1 3.97Å; L210-L214 HydrophobicContact CD1-CG 4.02Å; L210-L214 HydrophobicContact CD2-CD1 4.33Å; L210-L214 HydrophobicContact CG-CD1 3.79Å; L210-L214 HydrophobicContact CG-CG 4.23Å; L210-L214 WeakPolarHBondContact O-CB 3.26Å; L210-L214 WeakPolarHBondContact O-CG 3.21Å; L210-L214 PolarHBondContact O-N 3.09Å; D211-L214 PolarHBondContact O-N 3.45Å; L214-L217 HydrophobicContact CD2-CD1 4.4Å; L214-L217 WeakPolarHBondContact O-CB 3.49Å; L214-L217 PolarHBondContact O-N 2.97Å; L214-L217 VanDerWaalsContact O-N 3.07Å; L214-C218 PolarHBondContact O-N 3.11Å; L214-C218 PolarHBondContact O-SG 3.38Å; L214-P233 HydrophobicContact CD1-CG 4.16Å; L214-V236 HydrophobicContact CB-CG1 4.4Å; L214-V236 HydrophobicContact CB-CG2 3.61Å; L214-V236 HydrophobicContact CD1-CG2 4.01Å; L214-V236 HydrophobicContact CG-CG2 4.49Å; L214-F261 HydrophobicContact CD2-CE2 3.97Å; L214-F261 HydrophobicContact CD2-CZ 3.78Å; L214-F261 HydrophobicContact CG-CZ 4.39Å; L214-V279 HydrophobicContact CD1-CG2 4.32Å; L214-V279 HydrophobicContact CD2-CG1 4.36Å; L214-V279 HydrophobicContact CD2-CG2 4.33Å; L214-I282 HydrophobicContact CD2-CB 4.15Å; L214-I282 HydrophobicContact CD2-CG1 4.19Å; L214-I282 HydrophobicContact CD2-CG2 4.08Å
215V96.9Very high94.8Very high35 Ų3533.7 Ų33.721%0.21220%0.198CC..G310 helixtrans-52.7-50.1179.9165.60000114.2D211 L217 C218 V236 I239 F245D211-V215 VanDerWaalsContact O-CG2 3.26Å; D211-V215 WeakPolarHBondContact O-CG2 3.49Å; D211-V215 PolarHBondContact O-N 3.35Å; D211-V215 VanDerWaalsContact O-N 3.13Å; V215-L217 PolarHBondContact O-N 3.36Å; V215-C218 WeakPolarHBondContact O-CB 3.01Å; V215-C218 PolarHBondContact O-N 3.29Å; V215-C218 VanDerWaalsContact O-N 3.11Å; V215-V236 HydrophobicContact CG2-CG2 4.5Å; V215-I239 HydrophobicContact CB-CD1 4.44Å; V215-I239 HydrophobicContact CG1-CD1 3.93Å; V215-I239 HydrophobicContact CG2-CD1 3.67Å; V215-F245 HydrophobicContact CG1-CE2 4.18Å; V215-F245 HydrophobicContact CG1-CZ 3.83Å; V215-F245 WeakPolarHBondContact O-CZ 3.25Å
216P96.7Very high95.5Very high7 Ų734.1 Ų34.15%0.04520%0.2CC..G310 helixtrans-66.4-18.2179.927.2-36.8000113.8F173 A212 L213 C218 L248 L253 Y254 I257F173-P216 HydrophobicContact CE1-CG 4.04Å; F173-P216 HydrophobicContact CZ-CG 4.11Å; A212-P216 WeakPolarHBondContact O-CD 3.49Å; L213-P216 WeakPolarHBondContact O-CD 3.34Å; L213-P216 WeakPolarHBondContact O-CG 3.49Å; P216-C218 VanDerWaalsContact C-N 3.32Å; P216-L248 HydrophobicContact CB-CD2 3.82Å; P216-L253 HydrophobicContact CB-CD2 4.3Å; P216-Y254 VanDerWaalsContact O-CE1 3.23Å; P216-Y254 WeakPolarHBondContact O-CE1 3.29Å; P216-Y254 PolarHBondContact O-OH 3.25Å; P216-Y254 VanDerWaalsContact O-OH 3.1Å; P216-I257 HydrophobicContact CG-CD1 3.78Å
217L97.7Very high96.2Very high0 Ų039.7 Ų39.70%021%0.213CC..G310 helixtrans-82.3-9.7176.5-59.3-176000113L214 V215 R247 Y254 I257 F261 I282 L283 V286L214-L217 HydrophobicContact CD2-CD1 4.4Å; L214-L217 WeakPolarHBondContact O-CB 3.49Å; L214-L217 PolarHBondContact O-N 2.97Å; L214-L217 VanDerWaalsContact O-N 3.07Å; V215-L217 PolarHBondContact O-N 3.36Å; L217-R247 PolarHBondContact O-NH1 2.98Å; L217-Y254 HydrophobicContact CD2-CD1 3.43Å; L217-Y254 VanDerWaalsContact CD2-CD1 3.43Å; L217-Y254 HydrophobicContact CD2-CE1 3.84Å; L217-Y254 HydrophobicContact CD2-CG 3.82Å; L217-I257 HydrophobicContact CD1-CG2 3.85Å; L217-I257 HydrophobicContact CD2-CD1 4.11Å; L217-I257 HydrophobicContact CG-CD1 4.4Å; L217-I257 HydrophobicContact CG-CG2 4.39Å; L217-F261 HydrophobicContact CD1-CE2 3.99Å; L217-I282 HydrophobicContact CB-CG2 3.77Å; L217-I282 HydrophobicContact CD1-CG2 4.26Å; L217-L283 HydrophobicContact CD1-CD2 4.18Å; L217-V286 HydrophobicContact CB-CG2 3.84Å; L217-V286 VanDerWaalsContact O-CG2 3.3Å; L217-V286 WeakPolarHBondContact O-CG2 3.49Å
218C97.6Very high96.8Very high0 Ų040.6 Ų40.60%022%0.218CC..  trans-83.5155.1-179.7-61.50000111.7L214 V215 P216 D222 I239 F245L214-C218 PolarHBondContact O-N 3.11Å; L214-C218 PolarHBondContact O-SG 3.38Å; V215-C218 WeakPolarHBondContact O-CB 3.01Å; V215-C218 PolarHBondContact O-N 3.29Å; V215-C218 VanDerWaalsContact O-N 3.11Å; P216-C218 VanDerWaalsContact C-N 3.32Å; C218-D222 VanDerWaalsContact CA-OD2 3.27Å; C218-D222 WeakPolarHBondContact CA-OD2 3.42Å; C218-I239 HydrophobicContact CB-CG2 3.7Å; C218-F245 HydrophobicContact CB-CD1 4.38Å; C218-F245 HydrophobicContact CB-CE1 4.07Å; C218-F245 WeakPolarHBondContact O-CE1 3.49Å
219G96Very high97Very high0 Ų043 Ų430%022%0.219CC..  trans-148.5167.9172.300000112.8E221 D222 G241G219-E221 VanDerWaalsContact C-N 3.25Å; G219-E221 PolarHBondContact O-N 3.31Å; G219-D222 PolarHBondContact N-OD2 3.32Å; G219-D222 WeakPolarHBondContact O-CB 3.31Å; G219-D222 PolarHBondContact O-N 3.42Å; G219-G241 WeakPolarHBondContact O-CA 3.35Å; G219-G241 PolarHBondContact O-N 3.18Å
220P96.7Very high97Very high55 Ų5545.9 Ų45.936%0.35724%0.244SC..THydrogen-bonded Turntrans-69.1-23.1-17927.3-32.8000113.2S242 F245P220-S242 WeakPolarHBondContact CB-O 3.18Å; P220-F245 VanDerWaalsContact CD-O 3.23Å; P220-F245 WeakPolarHBondContact CD-O 3.45Å
221E95.2Very high97Very high84 Ų8449 Ų4939%0.39326%0.26SS..THydrogen-bonded Turntrans-83.9-7.5177.568.7-74.7171.800114.5G219 C223 R247 Y289G219-E221 VanDerWaalsContact C-N 3.25Å; G219-E221 PolarHBondContact O-N 3.31Å; E221-C223 PolarHBondContact O-N 2.89Å; E221-C223 PolarHBondContact O-SG 3.07Å; E221-R247 IonicContact OE1-CZ 3.38Å; E221-R247 IonicContact OE1-NE 2.67Å; E221-R247 PolarHBondContact OE1-NE 3.37Å; E221-R247 IonicContact OE1-NH2 3.78Å; E221-R247 PolarHBondContact OE1-NH2 2.8Å; E221-Y289 HydrophobicContact CG-CD2 4.32Å; E221-Y289 WeakPolarHBondContact OE1-CD2 3.46Å
222D97Very high97.1Very high6 Ų646.8 Ų46.83%0.03225%0.248CC..  trans-60.8126.6178.5-65.3-18.7000110.7C218 G219 T240 G241 R247 E285C218-D222 VanDerWaalsContact CA-OD2 3.27Å; C218-D222 WeakPolarHBondContact CA-OD2 3.42Å; G219-D222 PolarHBondContact N-OD2 3.32Å; G219-D222 WeakPolarHBondContact O-CB 3.31Å; G219-D222 PolarHBondContact O-N 3.42Å; D222-T240 WeakPolarHBondContact CB-OG1 3.32Å; D222-T240 PolarHBondContact OD2-OG1 3.03Å; D222-G241 WeakPolarHBondContact O-CA 3.29Å; D222-R247 IonicContact OD1-CZ 3.67Å; D222-R247 IonicContact OD1-NH2 3.11Å; D222-R247 PolarHBondContact OD1-NH2 3.38Å; D222-E285 HydrophobicContact CB-CB 4.13Å; D222-E285 HydrophobicContact CB-CG 4.11Å; D222-E285 WeakPolarHBondContact OD1-CB 3.44Å
223C96.7Very high97.1Very high95 Ų9547.1 Ų47.164%0.64225%0.25SC*.  trans-113.779.4-178.1-69.80000110.8E221 E285E221-C223 PolarHBondContact O-N 2.89Å; E221-C223 PolarHBondContact O-SG 3.07Å; C223-E285 PolarHBondContact N-OE2 3.4Å
224I97.5Very high96.9Very high6 Ų654 Ų543%0.03128%0.28CS..  trans-104123.5174.7-53.6179.1000109.3D228 R229 L232 T240 F281 I282 E285I224-D228 HydrophobicContact CG2-CB 3.51Å; I224-R229 HydrophobicContact CG2-CB 4.02Å; I224-R229 PolarHBondContact O-NE 3.41Å; I224-R229 PolarHBondContact O-NH2 3.09Å; I224-L232 HydrophobicContact CD1-CD1 4.04Å; I224-T240 HydrophobicContact CD1-CG2 4.36Å; I224-F281 HydrophobicContact CD1-CB 3.97Å; I224-F281 HydrophobicContact CG1-CB 4.46Å; I224-F281 HydrophobicContact CG2-CB 4.24Å; I224-I282 HydrophobicContact CD1-CD1 3.73Å; I224-E285 HydrophobicContact CD1-CG 4.36Å; I224-E285 HydrophobicContact CG1-CG 3.91Å
225D97.2Very high96.7Very high84 Ų8455.8 Ų55.845%0.44929%0.292SS..  trans-65.5173.6178.472.148.8000112.3E227 D228 R229D225-E227 PolarHBondContact O-N 3.27Å; D225-E227 PolarHBondContact OD1-N 3.49Å; D225-D228 PolarHBondContact OD1-N 3.4Å; D225-R229 WeakPolarHBondContact O-CB 3.24Å; D225-R229 PolarHBondContact O-N 2.88Å
226K96.6Very high96.7Very high187 Ų18754.1 Ų54.181%0.81328%0.282SS*.Hα-helixtrans-69.4-32.7-172.8-68.2-178-179.1176.50113.3A230K226-A230 PolarHBondContact O-N 3.01Å
227E98Very high96.7Very high163 Ų16355.7 Ų55.776%0.76229%0.289SS*.Hα-helixtrans-75.2-50.3-176-65.4-179.4-171.700109.3D225 R229 A230D225-E227 PolarHBondContact O-N 3.27Å; D225-E227 PolarHBondContact OD1-N 3.49Å; E227-R229 VanDerWaalsContact C-N 3.33Å; E227-R229 PolarHBondContact O-N 2.86Å; E227-A230 WeakPolarHBondContact O-CB 3.32Å; E227-A230 PolarHBondContact O-N 2.93Å
228D97.9Very high96.5Very high29 Ų2960 Ų6016%0.15532%0.315CS..Hα-helixtrans-59.1-44174.4-74.9-5.8000111.1I224 D225 A230 I231 F281 R284I224-D228 HydrophobicContact CG2-CB 3.51Å; D225-D228 PolarHBondContact OD1-N 3.4Å; D228-A230 VanDerWaalsContact C-N 3.27Å; D228-A230 PolarHBondContact O-N 3.09Å; D228-I231 WeakPolarHBondContact O-CB 3.48Å; D228-I231 PolarHBondContact O-N 3.22Å; D228-F281 HydrophobicContact CB-CD1 3.85Å; D228-F281 HydrophobicContact CB-CD2 3.89Å; D228-F281 HydrophobicContact CB-CE1 3.85Å; D228-F281 HydrophobicContact CB-CE2 3.89Å; D228-F281 HydrophobicContact CB-CG 3.87Å; D228-F281 HydrophobicContact CB-CZ 3.86Å; D228-F281 VanDerWaalsContact CG-CD1 3.44Å; D228-F281 WeakPolarHBondContact OD1-CE1 3.33Å; D228-F281 WeakPolarHBondContact OD1-CZ 3.22Å; D228-F281 WeakPolarHBondContact OD2-CD1 3.3Å; D228-F281 WeakPolarHBondContact OD2-CE1 3.42Å; D228-R284 IonicContact OD2-CZ 2.73Å; D228-R284 IonicContact OD2-NH1 3.24Å; D228-R284 IonicContact OD2-NH2 3.16Å; D228-R284 PolarHBondContact OD2-NH2 3.33Å; D228-R284 VanDerWaalsContact OD2-NH2 3.16Å
229R97.2Very high96.3Very high73 Ų7361.5 Ų61.528%0.27532%0.323SS..Hα-helixtrans-63.9-31.5179.9-172.6-175.2-57.5-135.1-1.3112.1I224 D225 E227 I231 L232 Q237 T240I224-R229 HydrophobicContact CG2-CB 4.02Å; I224-R229 PolarHBondContact O-NE 3.41Å; I224-R229 PolarHBondContact O-NH2 3.09Å; D225-R229 WeakPolarHBondContact O-CB 3.24Å; D225-R229 PolarHBondContact O-N 2.88Å; E227-R229 VanDerWaalsContact C-N 3.33Å; E227-R229 PolarHBondContact O-N 2.86Å; R229-I231 PolarHBondContact O-N 3.44Å; R229-L232 HydrophobicContact CG-CD1 4.3Å; R229-L232 WeakPolarHBondContact O-CB 3.36Å; R229-L232 PolarHBondContact O-N 3.46Å; R229-Q237 HydrophobicContact CG-CB 4.32Å; R229-Q237 HydrophobicContact CG-CG 4.28Å; R229-Q237 VanDerWaalsContact O-CG 3.27Å; R229-Q237 WeakPolarHBondContact O-CG 3.36Å; R229-Q237 PolarHBondContact O-NE2 3.27Å; R229-T240 HydrophobicContact CG-CG2 4.37Å; R229-T240 PolarHBondContact NH1-O 3.43Å
230A97.5Very high96.3Very high68 Ų6861.5 Ų61.556%0.56232%0.323SS*.Hα-helixtrans-65.1-21.9-179.400000113.2K226 E227 D228 Q237K226-A230 PolarHBondContact O-N 3.01Å; E227-A230 WeakPolarHBondContact O-CB 3.32Å; E227-A230 PolarHBondContact O-N 2.93Å; D228-A230 VanDerWaalsContact C-N 3.27Å; D228-A230 PolarHBondContact O-N 3.09Å; A230-Q237 PolarHBondContact O-NE2 2.86Å
231I97.3Very high96.3Very high78 Ų7859.9 Ų59.940%0.432%0.317SS..Hα-helixtrans-79.3-26179.7-57.7167.9000111.6D228 R229 S276 F281D228-I231 WeakPolarHBondContact O-CB 3.48Å; D228-I231 PolarHBondContact O-N 3.22Å; R229-I231 PolarHBondContact O-N 3.44Å; I231-S276 WeakPolarHBondContact CG2-O 3.14Å; I231-F281 HydrophobicContact CD1-CE2 3.94Å; I231-F281 HydrophobicContact CD1-CZ 4.4Å
232L97.7Very high96.3Very high6 Ų656.9 Ų56.93%0.03131%0.305CS..SBendtrans-67.4154.4-175.3-61.9172.2000112.6I224 R229 V236 Q237 T240 G278 I282I224-L232 HydrophobicContact CD1-CD1 4.04Å; R229-L232 HydrophobicContact CG-CD1 4.3Å; R229-L232 WeakPolarHBondContact O-CB 3.36Å; R229-L232 PolarHBondContact O-N 3.46Å; L232-V236 HydrophobicContact CB-CB 4.36Å; L232-V236 HydrophobicContact CB-CG1 4.36Å; L232-V236 HydrophobicContact CD1-CG1 4.11Å; L232-Q237 HydrophobicContact CB-CG 3.97Å; L232-Q237 PolarHBondContact O-NE2 3.24Å; L232-T240 HydrophobicContact CD1-CG2 4.07Å; L232-G278 VanDerWaalsContact CD2-O 3.31Å; L232-G278 WeakPolarHBondContact CD2-O 3.4Å; L232-I282 HydrophobicContact CD1-CD1 4.07Å; L232-I282 HydrophobicContact CD2-CD1 4.2Å; L232-I282 HydrophobicContact CD2-CG1 3.87Å
233P95.7Very high96.1Very high13 Ų1361.6 Ų61.68%0.08434%0.336CS..  trans-55146.6169-24.334.1000112.1L210 D211 L214 S235 V236 Q237 N277L210-P233 HydrophobicContact CD2-CG 4.08Å; L210-P233 HydrophobicContact CG-CG 4.4Å; D211-P233 WeakPolarHBondContact OD1-CB 3Å; L214-P233 HydrophobicContact CD1-CG 4.16Å; P233-S235 VanDerWaalsContact C-N 3.28Å; P233-S235 PolarHBondContact O-N 3.49Å; P233-V236 HydrophobicContact CB-CG2 4.12Å; P233-V236 HydrophobicContact CG-CG2 4.32Å; P233-V236 WeakPolarHBondContact O-CB 3.33Å; P233-V236 PolarHBondContact O-N 2.74Å; P233-Q237 WeakPolarHBondContact O-CG 3.36Å; P233-Q237 PolarHBondContact O-N 3.43Å; P233-N277 HydrophobicContact CG-CB 4.47Å
234K94.4Very high95.9Very high144 Ų14464.7 Ų64.763%0.62634%0.341SS*.Hα-helixtrans-60.8-36.4-167.6-17261.3-174174.70113.5Q237K234-Q237 VanDerWaalsContact NZ-OE1 3.08Å; K234-Q237 PolarHBondContact O-N 3.29Å
235S92.8Very high95.7Very high38 Ų3867 Ų6727%0.26635%0.351SS..Hα-helixtrans-60.4-46.2175.660.70000111.3D211 P233 Q237 T238 I239D211-S235 WeakPolarHBondContact CB-OG 3.47Å; D211-S235 PolarHBondContact OD1-OG 2.87Å; P233-S235 VanDerWaalsContact C-N 3.28Å; P233-S235 PolarHBondContact O-N 3.49Å; S235-Q237 PolarHBondContact O-N 3.24Å; S235-T238 PolarHBondContact O-N 2.73Å; S235-T238 PolarHBondContact O-OG1 2.98Å; S235-I239 WeakPolarHBondContact O-CD1 3.46Å; S235-I239 WeakPolarHBondContact O-CG1 3.45Å; S235-I239 PolarHBondContact O-N 3.4Å
236V96.6Very high95.4Very high0 Ų067.8 Ų67.80%036%0.363CS..Hα-helixtrans-65-41.4-180-175.30000111.2L214 V215 L232 P233 T238 I239 T240 I282L214-V236 HydrophobicContact CB-CG1 4.4Å; L214-V236 HydrophobicContact CB-CG2 3.61Å; L214-V236 HydrophobicContact CD1-CG2 4.01Å; L214-V236 HydrophobicContact CG-CG2 4.49Å; V215-V236 HydrophobicContact CG2-CG2 4.5Å; L232-V236 HydrophobicContact CB-CB 4.36Å; L232-V236 HydrophobicContact CB-CG1 4.36Å; L232-V236 HydrophobicContact CD1-CG1 4.11Å; P233-V236 HydrophobicContact CB-CG2 4.12Å; P233-V236 HydrophobicContact CG-CG2 4.32Å; P233-V236 WeakPolarHBondContact O-CB 3.33Å; P233-V236 PolarHBondContact O-N 2.74Å; V236-T238 PolarHBondContact O-N 2.75Å; V236-T238 VanDerWaalsContact O-N 3.14Å; V236-I239 PolarHBondContact O-N 2.96Å; V236-T240 WeakPolarHBondContact O-CG2 3.5Å; V236-T240 PolarHBondContact O-N 2.85Å; V236-I282 HydrophobicContact CG1-CD1 3.6Å; V236-I282 HydrophobicContact CG1-CG1 4.2Å
237Q96.9Very high95.2Very high41 Ų4159.4 Ų59.419%0.19233%0.326CS..Hα-helixtrans-54-36.3176.9-65.3-175.77.200113.4R229 A230 L232 P233 K234 S235R229-Q237 HydrophobicContact CG-CB 4.32Å; R229-Q237 HydrophobicContact CG-CG 4.28Å; R229-Q237 VanDerWaalsContact O-CG 3.27Å; R229-Q237 WeakPolarHBondContact O-CG 3.36Å; R229-Q237 PolarHBondContact O-NE2 3.27Å; A230-Q237 PolarHBondContact O-NE2 2.86Å; L232-Q237 HydrophobicContact CB-CG 3.97Å; L232-Q237 PolarHBondContact O-NE2 3.24Å; P233-Q237 WeakPolarHBondContact O-CG 3.36Å; P233-Q237 PolarHBondContact O-N 3.43Å; K234-Q237 VanDerWaalsContact NZ-OE1 3.08Å; K234-Q237 PolarHBondContact O-N 3.29Å; S235-Q237 PolarHBondContact O-N 3.24Å
238T94Very high94.8Very high90 Ų9053.7 Ų53.755%0.55230%0.301SS*.Hα-helixtrans-81-18.1-178.359.80000113.5S235 V236S235-T238 PolarHBondContact O-N 2.73Å; S235-T238 PolarHBondContact O-OG1 2.98Å; V236-T238 PolarHBondContact O-N 2.75Å; V236-T238 VanDerWaalsContact O-N 3.14Å
239I94.6Very high94.2Very high31 Ų3159.8 Ų59.816%0.15933%0.326CS..Hα-helixtrans-103.9-42.3-171.1-71.7170.1000111.1V215 C218 S235 V236 G241 S242 F245V215-I239 HydrophobicContact CB-CD1 4.44Å; V215-I239 HydrophobicContact CG1-CD1 3.93Å; V215-I239 HydrophobicContact CG2-CD1 3.67Å; C218-I239 HydrophobicContact CB-CG2 3.7Å; S235-I239 WeakPolarHBondContact O-CD1 3.46Å; S235-I239 WeakPolarHBondContact O-CG1 3.45Å; S235-I239 PolarHBondContact O-N 3.4Å; V236-I239 PolarHBondContact O-N 2.96Å; I239-G241 PolarHBondContact O-N 3.35Å; I239-S242 WeakPolarHBondContact O-CB 3.44Å; I239-S242 PolarHBondContact O-N 3.3Å; I239-F245 HydrophobicContact CG2-CB 4.17Å; I239-F245 HydrophobicContact CG2-CD1 3.42Å; I239-F245 VanDerWaalsContact CG2-CD1 3.42Å; I239-F245 HydrophobicContact CG2-CD2 3.68Å; I239-F245 HydrophobicContact CG2-CE1 3.53Å; I239-F245 HydrophobicContact CG2-CE2 3.79Å; I239-F245 HydrophobicContact CG2-CG 3.49Å; I239-F245 VanDerWaalsContact CG2-CG 3.49Å; I239-F245 HydrophobicContact CG2-CZ 3.71Å
240T95.1Very high94Very high0 Ų057 Ų570%032%0.318CS..THydrogen-bonded Turntrans-62.9125.8-178.3-171.40000112.1D222 I224 R229 L232 V236 S242D222-T240 WeakPolarHBondContact CB-OG1 3.32Å; D222-T240 PolarHBondContact OD2-OG1 3.03Å; I224-T240 HydrophobicContact CD1-CG2 4.36Å; R229-T240 HydrophobicContact CG-CG2 4.37Å; R229-T240 PolarHBondContact NH1-O 3.43Å; L232-T240 HydrophobicContact CD1-CG2 4.07Å; V236-T240 WeakPolarHBondContact O-CG2 3.5Å; V236-T240 PolarHBondContact O-N 2.85Å; T240-S242 PolarHBondContact O-N 2.82Å
241G95.7Very high93.9Very high22 Ų2255.1 Ų55.123%0.22730%0.299CS..THydrogen-bonded Turntrans67.912.4-176.100000114.2G219 D222 I239G219-G241 WeakPolarHBondContact O-CA 3.35Å; G219-G241 PolarHBondContact O-N 3.18Å; D222-G241 WeakPolarHBondContact O-CA 3.29Å; I239-G241 PolarHBondContact O-N 3.35Å
242S95.3Very high93.9Very high21 Ų2156.9 Ų56.915%0.14731%0.306CS..  trans-79.7123.4178.1179.50000110.4P220 I239 T240 Q244 F245P220-S242 WeakPolarHBondContact CB-O 3.18Å; I239-S242 WeakPolarHBondContact O-CB 3.44Å; I239-S242 PolarHBondContact O-N 3.3Å; T240-S242 PolarHBondContact O-N 2.82Å; S242-Q244 PolarHBondContact O-N 3.27Å; S242-Q244 VanDerWaalsContact O-N 3.13Å; S242-Q244 PolarHBondContact OG-N 3.48Å; S242-Q244 PolarHBondContact OG-OE1 3.22Å; S242-F245 PolarHBondContact O-N 3.32Å
243P94.3Very high93.9Very high104 Ų10456.6 Ų56.668%0.67530%0.304SS*.THydrogen-bonded Turntrans-67.7-12.4177.926.7-32.2000113.2
244Q92.1Very high94Very high161 Ų16156.1 Ų56.175%0.75230%0.301SS*.THydrogen-bonded Turntrans-84.7-9.5174.4-64.779.931.600113.3S242S242-Q244 PolarHBondContact O-N 3.27Å; S242-Q244 VanDerWaalsContact O-N 3.13Å; S242-Q244 PolarHBondContact OG-N 3.48Å; S242-Q244 PolarHBondContact OG-OE1 3.22Å
245F92.2Very high94.2Very high55 Ų5549.9 Ų49.924%0.24127%0.274CS..SBendtrans-106.2121.3-179.4-169.5-102.9000110V215 C218 P220 I239 S242V215-F245 HydrophobicContact CG1-CE2 4.18Å; V215-F245 HydrophobicContact CG1-CZ 3.83Å; V215-F245 WeakPolarHBondContact O-CZ 3.25Å; C218-F245 HydrophobicContact CB-CD1 4.38Å; C218-F245 HydrophobicContact CB-CE1 4.07Å; C218-F245 WeakPolarHBondContact O-CE1 3.49Å; P220-F245 VanDerWaalsContact CD-O 3.23Å; P220-F245 WeakPolarHBondContact CD-O 3.45Å; I239-F245 HydrophobicContact CG2-CB 4.17Å; I239-F245 HydrophobicContact CG2-CD1 3.42Å; I239-F245 VanDerWaalsContact CG2-CD1 3.42Å; I239-F245 HydrophobicContact CG2-CD2 3.68Å; I239-F245 HydrophobicContact CG2-CE1 3.53Å; I239-F245 HydrophobicContact CG2-CE2 3.79Å; I239-F245 HydrophobicContact CG2-CG 3.49Å; I239-F245 VanDerWaalsContact CG2-CG 3.49Å; I239-F245 HydrophobicContact CG2-CZ 3.71Å; S242-F245 PolarHBondContact O-N 3.32Å
246S91.6Very high94.5Very high100 Ų10048.7 Ų48.770%0.69927%0.265SS*.  trans-86.7135.3174.2-56.70000110.1
247R93Very high94.6Very high11 Ų1148.7 Ų48.74%0.04227%0.265CS..  trans-59.7139.6172.9-178.6173.9-66.3-74.9-1.5110.6L217 E221 D222 F249 Y254 Y289L217-R247 PolarHBondContact O-NH1 2.98Å; E221-R247 IonicContact OE1-CZ 3.38Å; E221-R247 IonicContact OE1-NE 2.67Å; E221-R247 PolarHBondContact OE1-NE 3.37Å; E221-R247 IonicContact OE1-NH2 3.78Å; E221-R247 PolarHBondContact OE1-NH2 2.8Å; D222-R247 IonicContact OD1-CZ 3.67Å; D222-R247 IonicContact OD1-NH2 3.11Å; D222-R247 PolarHBondContact OD1-NH2 3.38Å; R247-F249 HydrophobicContact CB-CE2 4.44Å; R247-F249 VanDerWaalsContact O-CD2 3.23Å; R247-F249 WeakPolarHBondContact O-CD2 3.47Å; R247-F249 VanDerWaalsContact O-CE2 3.29Å; R247-F249 WeakPolarHBondContact O-CE2 3.23Å; R247-Y254 WeakPolarHBondContact CD-OH 3.49Å; R247-Y254 WeakPolarHBondContact CG-OH 3.39Å; R247-Y254 PolarHBondContact NH1-OH 3.02Å; R247-Y289 VanDerWaalsContact CD-CE1 3.43Å; R247-Y289 VanDerWaalsContact CD-CZ 3.41Å
248L89.2Confident94.7Very high43 Ų4346.7 Ų46.723%0.22526%0.256CS..  trans-85106.7171.7-174.665000111V179 K182 P216 S250 L253 Y254V179-L248 HydrophobicContact CG2-CD1 3.59Å; V179-L248 HydrophobicContact CG2-CD2 4.3Å; V179-L248 HydrophobicContact CG2-CG 4.16Å; K182-L248 HydrophobicContact CD-CD2 3.98Å; P216-L248 HydrophobicContact CB-CD2 3.82Å; L248-S250 PolarHBondContact O-N 2.83Å; L248-L253 HydrophobicContact CD2-CD2 3.44Å; L248-L253 VanDerWaalsContact CD2-CD2 3.44Å; L248-Y254 VanDerWaalsContact O-CE1 3.32Å; L248-Y254 WeakPolarHBondContact O-CE1 3.33Å; L248-Y254 PolarHBondContact O-OH 2.87Å
249F84.3Confident94.9Very high157 Ų15745 Ų4569%0.68924%0.242SC*.  trans-78.486-177.4-61.3-100.4000112R247 Y289R247-F249 HydrophobicContact CB-CE2 4.44Å; R247-F249 VanDerWaalsContact O-CD2 3.23Å; R247-F249 WeakPolarHBondContact O-CD2 3.47Å; R247-F249 VanDerWaalsContact O-CE2 3.29Å; R247-F249 WeakPolarHBondContact O-CE2 3.23Å; F249-Y289 WeakPolarHBondContact CD1-OH 3.35Å; F249-Y289 AromaticContact CE1-CZ 3.97Å; F249-Y289 WeakPolarHBondContact CE1-OH 3.35Å
250S94.5Very high95.1Very high15 Ų1543.6 Ų43.611%0.10523%0.234CC..  trans-149.8100.3173.1179.40000112.4V179 L248 E252 L253 Y254V179-S250 VanDerWaalsContact CG1-OG 3.26Å; V179-S250 WeakPolarHBondContact CG1-OG 3.43Å; L248-S250 PolarHBondContact O-N 2.83Å; S250-E252 VanDerWaalsContact C-N 3.32Å; S250-E252 PolarHBondContact O-N 3.31Å; S250-L253 PolarHBondContact O-N 2.98Å; S250-L253 WeakPolarHBondContact OG-CB 3.42Å; S250-L253 PolarHBondContact OG-N 2.79Å; S250-Y254 VanDerWaalsContact O-CD1 3.27Å; S250-Y254 WeakPolarHBondContact O-CD1 3.33Å; S250-Y254 VanDerWaalsContact O-CG 3.24Å; S250-Y254 PolarHBondContact O-N 3.4Å
251T94.9Very high95.3Very high28 Ų2843.6 Ų43.617%0.17223%0.234CC..Hα-helixtrans-61.1-39.6177.2-49.30000112L253 Y254 L255 T307 N308 L311T251-L253 PolarHBondContact O-N 3.35Å; T251-Y254 PolarHBondContact O-N 2.92Å; T251-L255 VanDerWaalsContact O-CB 3.28Å; T251-L255 WeakPolarHBondContact O-CB 3.28Å; T251-L255 PolarHBondContact O-N 2.97Å; T251-T307 HydrophobicContact CG2-CG2 3.61Å; T251-N308 WeakPolarHBondContact CB-OD1 3.18Å; T251-N308 HydrophobicContact CG2-CB 4.49Å; T251-N308 WeakPolarHBondContact CG2-OD1 3.11Å; T251-N308 PolarHBondContact OG1-OD1 2.96Å; T251-L311 HydrophobicContact CG2-CB 3.98Å; T251-L311 HydrophobicContact CG2-CD2 3.65Å; T251-L311 HydrophobicContact CG2-CG 4.49Å
252E96.6Very high95.4Very high114 Ų11445.1 Ų45.153%0.53324%0.237SC..Hα-helixtrans-62.7-41.4178-173.1-178.1177.900112.2I183 S250 T256I183-E252 HydrophobicContact CD1-CB 4.02Å; I183-E252 HydrophobicContact CD1-CG 4.03Å; I183-E252 HydrophobicContact CG1-CG 4.5Å; I183-E252 HydrophobicContact CG2-CG 4.16Å; S250-E252 VanDerWaalsContact C-N 3.32Å; S250-E252 PolarHBondContact O-N 3.31Å; E252-T256 WeakPolarHBondContact O-CB 3.4Å; E252-T256 PolarHBondContact O-N 3.13Å; E252-T256 PolarHBondContact O-OG1 2.93Å
253L98.2Very high95.6Very high0 Ų045.7 Ų45.70%024%0.238CC..Hα-helixtrans-64.7-45.5174.7178.759.4000110.9F173 K182 I183 A186 P216 L248 S250 T251 L255 T256 I257F173-L253 HydrophobicContact CE2-CD1 4.25Å; F173-L253 HydrophobicContact CZ-CD1 4.32Å; K182-L253 HydrophobicContact CB-CD1 3.94Å; K182-L253 HydrophobicContact CB-CD2 3.97Å; K182-L253 HydrophobicContact CD-CD2 4.04Å; I183-L253 HydrophobicContact CD1-CB 4.44Å; I183-L253 HydrophobicContact CG1-CB 3.77Å; I183-L253 HydrophobicContact CG1-CD1 4.13Å; A186-L253 HydrophobicContact CB-CD1 3.96Å; P216-L253 HydrophobicContact CB-CD2 4.3Å; L248-L253 HydrophobicContact CD2-CD2 3.44Å; L248-L253 VanDerWaalsContact CD2-CD2 3.44Å; S250-L253 PolarHBondContact O-N 2.98Å; S250-L253 WeakPolarHBondContact OG-CB 3.42Å; S250-L253 PolarHBondContact OG-N 2.79Å; T251-L253 PolarHBondContact O-N 3.35Å; L253-L255 VanDerWaalsContact C-N 3.35Å; L253-L255 PolarHBondContact O-N 2.92Å; L253-T256 PolarHBondContact O-N 3.36Å; L253-I257 HydrophobicContact CD1-CD1 3.96Å; L253-I257 HydrophobicContact CD1-CG1 4.28Å; L253-I257 HydrophobicContact CG-CD1 3.92Å; L253-I257 VanDerWaalsContact O-CG1 3.3Å; L253-I257 WeakPolarHBondContact O-CG1 3.34Å; L253-I257 PolarHBondContact O-N 2.96Å
254Y98.3Very high95.8Very high3 Ų340.9 Ų40.91%0.01221%0.206CC..Hα-helixtrans-60-47.5179.1-68.60.7000110.8P216 L217 R247 L248 S250 T251 T256 I257 C258 V286 L311P216-Y254 VanDerWaalsContact O-CE1 3.23Å; P216-Y254 WeakPolarHBondContact O-CE1 3.29Å; P216-Y254 PolarHBondContact O-OH 3.25Å; P216-Y254 VanDerWaalsContact O-OH 3.1Å; L217-Y254 HydrophobicContact CD2-CD1 3.43Å; L217-Y254 VanDerWaalsContact CD2-CD1 3.43Å; L217-Y254 HydrophobicContact CD2-CE1 3.84Å; L217-Y254 HydrophobicContact CD2-CG 3.82Å; R247-Y254 WeakPolarHBondContact CD-OH 3.49Å; R247-Y254 WeakPolarHBondContact CG-OH 3.39Å; R247-Y254 PolarHBondContact NH1-OH 3.02Å; L248-Y254 VanDerWaalsContact O-CE1 3.32Å; L248-Y254 WeakPolarHBondContact O-CE1 3.33Å; L248-Y254 PolarHBondContact O-OH 2.87Å; S250-Y254 VanDerWaalsContact O-CD1 3.27Å; S250-Y254 WeakPolarHBondContact O-CD1 3.33Å; S250-Y254 VanDerWaalsContact O-CG 3.24Å; S250-Y254 PolarHBondContact O-N 3.4Å; T251-Y254 PolarHBondContact O-N 2.92Å; Y254-T256 VanDerWaalsContact C-N 3.32Å; Y254-T256 PolarHBondContact O-N 3.17Å; Y254-I257 PolarHBondContact O-N 2.99Å; Y254-C258 WeakPolarHBondContact O-CB 3.45Å; Y254-C258 PolarHBondContact O-N 3.03Å; Y254-C258 PolarHBondContact O-SG 2.95Å; Y254-C258 VanDerWaalsContact O-SG 3.35Å; Y254-V286 HydrophobicContact CD2-CG1 4.18Å; Y254-V286 HydrophobicContact CE2-CG1 4.49Å; Y254-L311 HydrophobicContact CD2-CD2 3.99Å; Y254-L311 HydrophobicContact CG-CD2 4.3Å
255L98.4Very high96Very high14 Ų1433.3 Ų33.37%0.07317%0.171CC..Hα-helixtrans-58.6-45.2177.2177.460.1000110.9T251 L253 I257 C258 Q259 T307 E310 L311 C314T251-L255 VanDerWaalsContact O-CB 3.28Å; T251-L255 WeakPolarHBondContact O-CB 3.28Å; T251-L255 PolarHBondContact O-N 2.97Å; L253-L255 VanDerWaalsContact C-N 3.35Å; L253-L255 PolarHBondContact O-N 2.92Å; L255-I257 VanDerWaalsContact C-N 3.33Å; L255-I257 PolarHBondContact O-N 3.06Å; L255-C258 PolarHBondContact O-N 3.08Å; L255-Q259 HydrophobicContact CD1-CG 4.12Å; L255-Q259 HydrophobicContact CG-CG 4.43Å; L255-Q259 WeakPolarHBondContact O-CB 3.33Å; L255-Q259 WeakPolarHBondContact O-CG 3.38Å; L255-Q259 PolarHBondContact O-N 2.93Å; L255-T307 HydrophobicContact CD2-CG2 4.11Å; L255-E310 HydrophobicContact CD1-CB 4.38Å; L255-E310 HydrophobicContact CD2-CB 4.22Å; L255-L311 HydrophobicContact CB-CB 4.47Å; L255-L311 HydrophobicContact CB-CD1 4.35Å; L255-C314 HydrophobicContact CD1-CB 3.97Å
256T98.7Very high96.2Very high12 Ų1231 Ų317%0.07416%0.162CC..Hα-helixtrans-63.1-39.2179.1-57.50000112A186 E252 L253 Y254 T260A186-T256 VanDerWaalsContact C-CG2 3.49Å; A186-T256 HydrophobicContact CB-CG2 3.64Å; E252-T256 WeakPolarHBondContact O-CB 3.4Å; E252-T256 PolarHBondContact O-N 3.13Å; E252-T256 PolarHBondContact O-OG1 2.93Å; L253-T256 PolarHBondContact O-N 3.36Å; Y254-T256 VanDerWaalsContact C-N 3.32Å; Y254-T256 PolarHBondContact O-N 3.17Å; T256-T260 PolarHBondContact O-N 3.26Å; T256-T260 VanDerWaalsContact O-N 3.11Å; T256-T260 PolarHBondContact O-OG1 3.17Å
257I98.8Very high96.4Very high0 Ų027.2 Ų27.20%013%0.134CC..Hα-helixtrans-68-47.1175.9-65.8167.5000110.6A186 L213 P216 L217 L253 Y254 L255 Q259 T260 F261A186-I257 HydrophobicContact CB-CG1 4.34Å; L213-I257 HydrophobicContact CB-CG2 4.01Å; L213-I257 HydrophobicContact CD2-CG1 4.21Å; P216-I257 HydrophobicContact CG-CD1 3.78Å; L217-I257 HydrophobicContact CD1-CG2 3.85Å; L217-I257 HydrophobicContact CD2-CD1 4.11Å; L217-I257 HydrophobicContact CG-CD1 4.4Å; L217-I257 HydrophobicContact CG-CG2 4.39Å; L253-I257 HydrophobicContact CD1-CD1 3.96Å; L253-I257 HydrophobicContact CD1-CG1 4.28Å; L253-I257 HydrophobicContact CG-CD1 3.92Å; L253-I257 VanDerWaalsContact O-CG1 3.3Å; L253-I257 WeakPolarHBondContact O-CG1 3.34Å; L253-I257 PolarHBondContact O-N 2.96Å; Y254-I257 PolarHBondContact O-N 2.99Å; L255-I257 VanDerWaalsContact C-N 3.33Å; L255-I257 PolarHBondContact O-N 3.06Å; I257-Q259 VanDerWaalsContact C-N 3.33Å; I257-Q259 PolarHBondContact O-N 3.37Å; I257-T260 WeakPolarHBondContact O-CA 3.42Å; I257-T260 WeakPolarHBondContact O-CB 3.47Å; I257-T260 PolarHBondContact O-N 3.4Å; I257-F261 HydrophobicContact CG2-CD2 4.21Å; I257-F261 HydrophobicContact CG2-CE1 4.31Å; I257-F261 HydrophobicContact CG2-CE2 3.6Å; I257-F261 HydrophobicContact CG2-CZ 3.66Å; I257-F261 PolarHBondContact O-N 3.15Å
258C98.8Very high96.5Very high0 Ų029.4 Ų29.40%015%0.147CC..Hα-helixtrans-63.1-38.3178.1-69.10000112Y254 L255 T260 F261 L262 L311 C314 I315Y254-C258 WeakPolarHBondContact O-CB 3.45Å; Y254-C258 PolarHBondContact O-N 3.03Å; Y254-C258 PolarHBondContact O-SG 2.95Å; Y254-C258 VanDerWaalsContact O-SG 3.35Å; L255-C258 PolarHBondContact O-N 3.08Å; C258-T260 VanDerWaalsContact C-N 3.28Å; C258-T260 PolarHBondContact O-N 3.21Å; C258-F261 PolarHBondContact O-N 3.35Å; C258-L262 PolarHBondContact O-N 3.35Å; C258-L311 HydrophobicContact CB-CD1 4.24Å; C258-C314 HydrophobicContact CB-CB 4.45Å; C258-I315 HydrophobicContact CB-CG1 4.49Å
259Q98.7Very high96.8Very high55 Ų5531.8 Ų31.826%0.25716%0.156SC..Hα-helixtrans-61.5-36.9171.9-75.2175.6-1.100111.8K190 L255 I257 L262 Q263K190-Q259 HydrophobicContact CD-CB 3.69Å; K190-Q259 HydrophobicContact CG-CB 4.28Å; L255-Q259 HydrophobicContact CD1-CG 4.12Å; L255-Q259 HydrophobicContact CG-CG 4.43Å; L255-Q259 WeakPolarHBondContact O-CB 3.33Å; L255-Q259 WeakPolarHBondContact O-CG 3.38Å; L255-Q259 PolarHBondContact O-N 2.93Å; I257-Q259 VanDerWaalsContact C-N 3.33Å; I257-Q259 PolarHBondContact O-N 3.37Å; Q259-L262 PolarHBondContact O-N 3.35Å; Q259-Q263 WeakPolarHBondContact O-CG 3.12Å; Q259-Q263 PolarHBondContact O-N 2.99Å
260T98.8Very high97.4Very high0 Ų024.3 Ų24.30%012%0.124CC..Hα-helixtrans-64-44.7173.9-550000110.9I189 K190 L213 T256 I257 C258 L262 Q263 F264I189-T260 HydrophobicContact CG2-CG2 3.76Å; K190-T260 WeakPolarHBondContact CA-OG1 3.31Å; K190-T260 WeakPolarHBondContact CB-OG1 3.4Å; L213-T260 HydrophobicContact CD1-CG2 4.29Å; T256-T260 PolarHBondContact O-N 3.26Å; T256-T260 VanDerWaalsContact O-N 3.11Å; T256-T260 PolarHBondContact O-OG1 3.17Å; I257-T260 WeakPolarHBondContact O-CA 3.42Å; I257-T260 WeakPolarHBondContact O-CB 3.47Å; I257-T260 PolarHBondContact O-N 3.4Å; C258-T260 VanDerWaalsContact C-N 3.28Å; C258-T260 PolarHBondContact O-N 3.21Å; T260-L262 VanDerWaalsContact C-N 3.33Å; T260-L262 PolarHBondContact O-N 3.43Å; T260-Q263 WeakPolarHBondContact O-CB 3.35Å; T260-Q263 PolarHBondContact O-N 2.85Å; T260-F264 HydrophobicContact CG2-CD2 4.36Å; T260-F264 HydrophobicContact CG2-CE1 4.39Å; T260-F264 HydrophobicContact CG2-CE2 3.69Å; T260-F264 HydrophobicContact CG2-CZ 3.7Å; T260-F264 WeakPolarHBondContact O-CG 3.39Å; T260-F264 PolarHBondContact O-N 3.32Å
261F98.8Very high97.5Very high0 Ų023.6 Ų23.60%012%0.119CC..Hα-helixtrans-63.5-38.9175.1-62.8-26.8000112.4L210 L213 L214 L217 I257 C258 Q263 F264 C265 L274 V279 L283 V318L210-F261 HydrophobicContact CD1-CE1 3.94Å; L210-F261 HydrophobicContact CD1-CZ 4.22Å; L213-F261 HydrophobicContact CB-CE1 4.27Å; L213-F261 HydrophobicContact CB-CZ 4.09Å; L213-F261 HydrophobicContact CD1-CE1 4.06Å; L214-F261 HydrophobicContact CD2-CE2 3.97Å; L214-F261 HydrophobicContact CD2-CZ 3.78Å; L214-F261 HydrophobicContact CG-CZ 4.39Å; L217-F261 HydrophobicContact CD1-CE2 3.99Å; I257-F261 HydrophobicContact CG2-CD2 4.21Å; I257-F261 HydrophobicContact CG2-CE1 4.31Å; I257-F261 HydrophobicContact CG2-CE2 3.6Å; I257-F261 HydrophobicContact CG2-CZ 3.66Å; I257-F261 PolarHBondContact O-N 3.15Å; C258-F261 PolarHBondContact O-N 3.35Å; F261-Q263 VanDerWaalsContact C-N 3.28Å; F261-Q263 PolarHBondContact O-N 2.82Å; F261-F264 HydrophobicContact CD1-CD2 4.02Å; F261-F264 HydrophobicContact CD1-CE2 4.32Å; F261-F264 WeakPolarHBondContact O-CB 3.31Å; F261-F264 PolarHBondContact O-N 3.07Å; F261-F264 VanDerWaalsContact O-N 3.09Å; F261-C265 PolarHBondContact O-N 3.3Å; F261-C265 PolarHBondContact O-SG 3.08Å; F261-C265 VanDerWaalsContact O-SG 3.32Å; F261-L274 HydrophobicContact CB-CD1 4.18Å; F261-L274 HydrophobicContact CD1-CD2 3.93Å; F261-L274 HydrophobicContact CE1-CD2 4.33Å; F261-L274 HydrophobicContact CG-CD2 4.47Å; F261-V279 HydrophobicContact CD2-CG1 3.96Å; F261-V279 HydrophobicContact CE2-CG1 3.97Å; F261-V279 HydrophobicContact CG-CG1 4.46Å; F261-V279 HydrophobicContact CZ-CG1 4.48Å; F261-L283 HydrophobicContact CD2-CD1 4.38Å; F261-L283 HydrophobicContact CD2-CD2 4.25Å; F261-L283 HydrophobicContact CE2-CD2 4.34Å; F261-V318 HydrophobicContact CB-CG1 4.06Å; F261-V318 HydrophobicContact CB-CG2 4.22Å
262L98.5Very high97.5Very high55 Ų5525 Ų2529%0.28813%0.128SC..Hα-helixtrans-61.7-39174.7-172.462.3000111.6C258 Q259 T260 C265 Q317 V318C258-L262 PolarHBondContact O-N 3.35Å; Q259-L262 PolarHBondContact O-N 3.35Å; T260-L262 VanDerWaalsContact C-N 3.33Å; T260-L262 PolarHBondContact O-N 3.43Å; L262-C265 WeakPolarHBondContact O-CB 3.41Å; L262-C265 PolarHBondContact O-N 3.29Å; L262-Q317 HydrophobicContact CD1-CB 3.9Å; L262-Q317 HydrophobicContact CD2-CB 4.4Å; L262-V318 HydrophobicContact CB-CG2 3.7Å; L262-V318 HydrophobicContact CD1-CG2 4.07Å; L262-V318 HydrophobicContact CG-CG2 4.46Å
263Q98.4Very high97.6Very high33 Ų3320.9 Ų20.915%0.15411%0.108CC..Hα-helixtrans-64.7-39.6172.4-68.9-36.1-64.600112S193 F194 Q259 T260 F261 C265 S266 R339S193-Q263 WeakPolarHBondContact OG-CB 3.32Å; S193-Q263 WeakPolarHBondContact OG-CG 3.32Å; F194-Q263 HydrophobicContact CD1-CG 4.33Å; F194-Q263 VanDerWaalsContact CD1-OE1 3.26Å; F194-Q263 HydrophobicContact CD2-CG 4.34Å; F194-Q263 VanDerWaalsContact CE1-CD 3.45Å; F194-Q263 HydrophobicContact CE1-CG 4.11Å; F194-Q263 HydrophobicContact CE2-CG 4.14Å; F194-Q263 HydrophobicContact CG-CG 4.45Å; F194-Q263 HydrophobicContact CZ-CG 4.01Å; Q259-Q263 WeakPolarHBondContact O-CG 3.12Å; Q259-Q263 PolarHBondContact O-N 2.99Å; T260-Q263 WeakPolarHBondContact O-CB 3.35Å; T260-Q263 PolarHBondContact O-N 2.85Å; F261-Q263 VanDerWaalsContact C-N 3.28Å; F261-Q263 PolarHBondContact O-N 2.82Å; Q263-C265 VanDerWaalsContact C-N 3.26Å; Q263-C265 PolarHBondContact O-N 3.03Å; Q263-S266 VanDerWaalsContact O-CB 3.24Å; Q263-S266 WeakPolarHBondContact O-CB 3.18Å; Q263-S266 PolarHBondContact O-N 3.3Å; Q263-S266 VanDerWaalsContact O-N 3.16Å; Q263-S266 PolarHBondContact O-OG 3.06Å; Q263-R339 PolarHBondContact O-NH2 2.96Å
264F98.5Very high97.6Very high3 Ų320.9 Ų20.91%0.01311%0.108CC..Hα-helixtrans-62.3-33.2174.1-65.8-29.7000113.2H199 L202 F203 L209 T260 F261 S266 T267 G270 L274H199-F264 AromaticContact CD2-CD1 3.9Å; H199-F264 AromaticContact NE2-CD1 3.63Å; L202-F264 HydrophobicContact CB-CE1 4.29Å; L202-F264 HydrophobicContact CB-CZ 4.32Å; L202-F264 HydrophobicContact CD1-CE1 3.8Å; L202-F264 HydrophobicContact CD1-CZ 4.3Å; F203-F264 HydrophobicContact CE1-CB 4.22Å; F203-F264 AromaticContact CE1-CD1 3.51Å; F203-F264 HydrophobicContact CE1-CD1 3.51Å; F203-F264 AromaticContact CE1-CD2 3.6Å; F203-F264 HydrophobicContact CE1-CD2 3.6Å; F203-F264 AromaticContact CE1-CE1 3.61Å; F203-F264 HydrophobicContact CE1-CE1 3.61Å; F203-F264 AromaticContact CE1-CE2 3.72Å; F203-F264 HydrophobicContact CE1-CE2 3.72Å; F203-F264 AromaticContact CE1-CG 3.51Å; F203-F264 HydrophobicContact CE1-CG 3.51Å; F203-F264 AromaticContact CE1-CZ 3.73Å; F203-F264 HydrophobicContact CE1-CZ 3.73Å; F203-F264 HydrophobicContact CZ-CB 3.86Å; F203-F264 AromaticContact CZ-CD1 3.55Å; F203-F264 HydrophobicContact CZ-CD1 3.55Å; F203-F264 HydrophobicContact CZ-CD2 4.14Å; F203-F264 HydrophobicContact CZ-CE1 4.07Å; F203-F264 AromaticContact CZ-CG 3.59Å; F203-F264 HydrophobicContact CZ-CG 3.59Å; L209-F264 HydrophobicContact CD2-CE2 4.28Å; L209-F264 HydrophobicContact CD2-CZ 3.87Å; T260-F264 HydrophobicContact CG2-CD2 4.36Å; T260-F264 HydrophobicContact CG2-CE1 4.39Å; T260-F264 HydrophobicContact CG2-CE2 3.69Å; T260-F264 HydrophobicContact CG2-CZ 3.7Å; T260-F264 WeakPolarHBondContact O-CG 3.39Å; T260-F264 PolarHBondContact O-N 3.32Å; F261-F264 HydrophobicContact CD1-CD2 4.02Å; F261-F264 HydrophobicContact CD1-CE2 4.32Å; F261-F264 WeakPolarHBondContact O-CB 3.31Å; F261-F264 PolarHBondContact O-N 3.07Å; F261-F264 VanDerWaalsContact O-N 3.09Å; F264-S266 PolarHBondContact O-N 2.86Å; F264-S266 VanDerWaalsContact O-N 3.09Å; F264-T267 PolarHBondContact O-N 2.98Å; F264-T267 PolarHBondContact O-OG1 3.3Å; F264-G270 WeakPolarHBondContact O-CA 3.45Å; F264-L274 HydrophobicContact CB-CD1 3.98Å; F264-L274 HydrophobicContact CD2-CD2 4.28Å
265C97.7Very high97.5Very high2 Ų223.8 Ų23.81%0.01412%0.119CC..THydrogen-bonded Turntrans-63.4-11.4176.5-68.50000114.3F261 L262 Q263 T267 R271 Q321 L338F261-C265 PolarHBondContact O-N 3.3Å; F261-C265 PolarHBondContact O-SG 3.08Å; F261-C265 VanDerWaalsContact O-SG 3.32Å; L262-C265 WeakPolarHBondContact O-CB 3.41Å; L262-C265 PolarHBondContact O-N 3.29Å; Q263-C265 VanDerWaalsContact C-N 3.26Å; Q263-C265 PolarHBondContact O-N 3.03Å; C265-T267 PolarHBondContact O-N 2.93Å; C265-R271 HydrophobicContact CB-CG 4.05Å; C265-R271 WeakPolarHBondContact O-CD 3.35Å; C265-R271 WeakPolarHBondContact O-CG 3.33Å; C265-R271 PolarHBondContact O-NH1 2.79Å; C265-Q321 HydrophobicContact CB-CB 3.88Å; C265-Q321 HydrophobicContact CB-CG 4.01Å; C265-L338 WeakPolarHBondContact O-CD1 3.45Å
266S96.2Very high97.4Very high7 Ų726.5 Ų26.55%0.04914%0.139CC..THydrogen-bonded Turntrans-56.2-30.417463.80000112.8D196 H199 Q263 F264 S337 L338 R339D196-S266 PolarHBondContact OD1-OG 2.76Å; H199-S266 PolarHBondContact CE1-OG 3.26Å; Q263-S266 VanDerWaalsContact O-CB 3.24Å; Q263-S266 WeakPolarHBondContact O-CB 3.18Å; Q263-S266 PolarHBondContact O-N 3.3Å; Q263-S266 VanDerWaalsContact O-N 3.16Å; Q263-S266 PolarHBondContact O-OG 3.06Å; F264-S266 PolarHBondContact O-N 2.86Å; F264-S266 VanDerWaalsContact O-N 3.09Å; S266-S337 CarbonylContact O-C 3.51Å; S266-S337 WeakPolarHBondContact O-CA 3.3Å; S266-L338 WeakPolarHBondContact O-CG 3.48Å; S266-L338 PolarHBondContact O-N 3.5Å; S266-R339 VanDerWaalsContact CB-CZ 3.44Å; S266-R339 VanDerWaalsContact CB-NH1 3.26Å; S266-R339 PolarHBondContact OG-NH1 3.05Å
267T95.8Very high97.3Very high20 Ų2027.1 Ų27.112%0.12314%0.142CC..SBendtrans-114.3150-174.5570000111.5D196 H199 F264 C265 H269 G270 R271D196-T267 HydrophobicContact CB-CG2 3.91Å; D196-T267 VanDerWaalsContact OD1-CG2 3.23Å; D196-T267 WeakPolarHBondContact OD1-CG2 3.02Å; H199-T267 PolarHBondContact ND1-OG1 3.35Å; F264-T267 PolarHBondContact O-N 2.98Å; F264-T267 PolarHBondContact O-OG1 3.3Å; C265-T267 PolarHBondContact O-N 2.93Å; T267-H269 PolarHBondContact O-N 2.85Å; T267-G270 PolarHBondContact O-N 3.05Å; T267-G270 PolarHBondContact OG1-N 2.73Å; T267-R271 WeakPolarHBondContact O-CG 3.46Å; T267-R271 PolarHBondContact O-N 2.87Å; T267-R271 PolarHBondContact O-NH1 3.33Å
268N95Very high97.3Very high56 Ų5627.2 Ų27.230%0.29914%0.143SC..Hα-helixtrans-52.6-45.3168.4-176.7-59.5000111.5G270 R271 T272 E326 A334N268-G270 PolarHBondContact O-N 3.16Å; N268-R271 PolarHBondContact O-N 3.49Å; N268-T272 WeakPolarHBondContact O-CB 3.44Å; N268-T272 PolarHBondContact O-N 3.07Å; N268-T272 PolarHBondContact O-OG1 3.34Å; N268-T272 PolarHBondContact OD1-OG1 3.4Å; N268-E326 PolarHBondContact ND2-OE2 2.8Å; N268-E326 VanDerWaalsContact ND2-OE2 3.1Å; N268-A334 WeakPolarHBondContact CB-O 3.25Å; N268-A334 PolarHBondContact ND2-O 3.39Å
269H94.7Very high97.3Very high93 Ų9327.2 Ų27.243%0.43114%0.143SC..Hα-helixtrans-57.9-47.2179.2-175.250.3000111.8F203 T267 F273F203-H269 AromaticContact CD2-CD2 3.55Å; F203-H269 AromaticContact CD2-NE2 3.5Å; F203-H269 AromaticContact CE2-CD2 3.75Å; T267-H269 PolarHBondContact O-N 2.85Å; H269-F273 WeakPolarHBondContact O-CB 3.31Å; H269-F273 PolarHBondContact O-N 3.49Å
270G97.1Very high97.2Very high0 Ų028.1 Ų28.10%014%0.144CC..Hα-helixtrans-66.6-43.8178.800000113.5F203 F264 T267 N268 T272 F273 L274F203-G270 VanDerWaalsContact CE2-CA 3.48Å; F264-G270 WeakPolarHBondContact O-CA 3.45Å; T267-G270 PolarHBondContact O-N 3.05Å; T267-G270 PolarHBondContact OG1-N 2.73Å; N268-G270 PolarHBondContact O-N 3.16Å; G270-T272 PolarHBondContact O-N 3.43Å; G270-F273 PolarHBondContact O-N 3.35Å; G270-L274 VanDerWaalsContact O-CG 3.31Å; G270-L274 WeakPolarHBondContact O-CG 3.37Å; G270-L274 PolarHBondContact O-N 2.68Å
271R96.9Very high97.2Very high0 Ų029.4 Ų29.40%015%0.15CC..Hα-helixtrans-60.6-47.3175.2-67-172.6-59.3-90.86.7112C265 T267 N268 F273 L274 R275 E326 R329C265-R271 HydrophobicContact CB-CG 4.05Å; C265-R271 WeakPolarHBondContact O-CD 3.35Å; C265-R271 WeakPolarHBondContact O-CG 3.33Å; C265-R271 PolarHBondContact O-NH1 2.79Å; T267-R271 WeakPolarHBondContact O-CG 3.46Å; T267-R271 PolarHBondContact O-N 2.87Å; T267-R271 PolarHBondContact O-NH1 3.33Å; N268-R271 PolarHBondContact O-N 3.49Å; R271-F273 VanDerWaalsContact C-N 3.33Å; R271-F273 PolarHBondContact O-N 3.21Å; R271-L274 PolarHBondContact O-N 2.75Å; R271-R275 VanDerWaalsContact O-CB 3.32Å; R271-R275 WeakPolarHBondContact O-CB 3.37Å; R271-R275 PolarHBondContact O-N 3.27Å; R271-E326 VanDerWaalsContact CB-OE1 3.31Å; R271-E326 WeakPolarHBondContact CB-OE1 3.42Å; R271-E326 IonicContact CZ-OE1 3.95Å; R271-E326 IonicContact CZ-OE2 3.88Å; R271-E326 IonicContact NE-OE1 3.82Å; R271-E326 PolarHBondContact NE-OE1 3.46Å; R271-E326 IonicContact NE-OE2 3.68Å; R271-E326 PolarHBondContact NE-OE2 2.91Å; R271-E326 IonicContact NH2-OE1 2.75Å; R271-E326 IonicContact NH2-OE2 3.88Å; R271-E326 PolarHBondContact NH2-OE2 3.39Å; R271-R329 VanDerWaalsContact CD-NH2 3.29Å
272T95.6Very high97.2Very high59 Ų5929.4 Ų29.436%0.36215%0.15SC..Hα-helixtrans-60.5-43.7176.4-61.20000111.2N268 G270 S276N268-T272 WeakPolarHBondContact O-CB 3.44Å; N268-T272 PolarHBondContact O-N 3.07Å; N268-T272 PolarHBondContact O-OG1 3.34Å; N268-T272 PolarHBondContact OD1-OG1 3.4Å; G270-T272 PolarHBondContact O-N 3.43Å; T272-S276 VanDerWaalsContact O-CB 3.27Å; T272-S276 WeakPolarHBondContact O-CB 3.2Å; T272-S276 PolarHBondContact O-N 3.25Å; T272-S276 PolarHBondContact O-OG 2.91Å
273F97Very high97.2Very high27 Ų2726.8 Ų26.812%0.11814%0.136CC..Hα-helixtrans-60.2-52.2176.6176.1-100.6000111.8F203 L210 H269 G270 R271 R275 S276 N277F203-F273 HydrophobicContact CB-CD1 4.3Å; F203-F273 HydrophobicContact CB-CD2 3.95Å; F203-F273 HydrophobicContact CB-CE1 4.16Å; F203-F273 HydrophobicContact CB-CE2 3.79Å; F203-F273 HydrophobicContact CB-CG 4.2Å; F203-F273 HydrophobicContact CB-CZ 3.9Å; F203-F273 AromaticContact CD1-CD1 3.57Å; F203-F273 HydrophobicContact CD1-CD1 3.57Å; F203-F273 AromaticContact CD1-CE1 3.52Å; F203-F273 HydrophobicContact CD1-CE1 3.52Å; F203-F273 HydrophobicContact CD1-CG 4.2Å; F203-F273 HydrophobicContact CD1-CZ 4.11Å; F203-F273 HydrophobicContact CD2-CB 4.06Å; F203-F273 HydrophobicContact CD2-CD1 4.07Å; F203-F273 HydrophobicContact CD2-CD2 4.37Å; F203-F273 AromaticContact CD2-CG 3.91Å; F203-F273 HydrophobicContact CD2-CG 3.91Å; F203-F273 AromaticContact CE1-CD1 3.87Å; F203-F273 HydrophobicContact CE1-CD1 3.87Å; F203-F273 HydrophobicContact CE1-CE1 4.12Å; F203-F273 HydrophobicContact CE2-CB 4.23Å; F203-F273 HydrophobicContact CE2-CD1 4.34Å; F203-F273 HydrophobicContact CE2-CG 4.38Å; F203-F273 HydrophobicContact CG-CB 4.48Å; F203-F273 AromaticContact CG-CD1 3.7Å; F203-F273 HydrophobicContact CG-CD1 3.7Å; F203-F273 HydrophobicContact CG-CD2 4.11Å; F203-F273 AromaticContact CG-CE1 3.86Å; F203-F273 HydrophobicContact CG-CE1 3.86Å; F203-F273 HydrophobicContact CG-CE2 4.25Å; F203-F273 AromaticContact CG-CG 3.83Å; F203-F273 HydrophobicContact CG-CG 3.83Å; F203-F273 HydrophobicContact CG-CZ 4.13Å; F203-F273 HydrophobicContact CZ-CD1 4.26Å; L210-F273 HydrophobicContact CB-CE1 4.2Å; L210-F273 HydrophobicContact CB-CZ 4.12Å; L210-F273 HydrophobicContact CD1-CE1 4.37Å; L210-F273 HydrophobicContact CD2-CE1 3.8Å; L210-F273 HydrophobicContact CD2-CZ 3.85Å; L210-F273 HydrophobicContact CG-CE1 4.35Å; H269-F273 WeakPolarHBondContact O-CB 3.31Å; H269-F273 PolarHBondContact O-N 3.49Å; G270-F273 PolarHBondContact O-N 3.35Å; R271-F273 VanDerWaalsContact C-N 3.33Å; R271-F273 PolarHBondContact O-N 3.21Å; F273-R275 PolarHBondContact O-N 3.41Å; F273-S276 PolarHBondContact O-N 3.17Å; F273-S276 PolarHBondContact O-OG 3.04Å; F273-N277 PolarHBondContact O-N 3.4Å; F273-N277 PolarHBondContact O-ND2 3.35Å
274L98.2Very high97.2Very high0 Ų028.1 Ų28.10%014%0.14CC..Hα-helixtrans-62.5-42.8-179.8-66177.3000112.2L210 F261 F264 G270 R271 N277 G278 V279 L322L210-L274 HydrophobicContact CD1-CD2 4.2Å; F261-L274 HydrophobicContact CB-CD1 4.18Å; F261-L274 HydrophobicContact CD1-CD2 3.93Å; F261-L274 HydrophobicContact CE1-CD2 4.33Å; F261-L274 HydrophobicContact CG-CD2 4.47Å; F264-L274 HydrophobicContact CB-CD1 3.98Å; F264-L274 HydrophobicContact CD2-CD2 4.28Å; G270-L274 VanDerWaalsContact O-CG 3.31Å; G270-L274 WeakPolarHBondContact O-CG 3.37Å; G270-L274 PolarHBondContact O-N 2.68Å; R271-L274 PolarHBondContact O-N 2.75Å; L274-N277 PolarHBondContact O-N 3.41Å; L274-G278 PolarHBondContact O-N 3.38Å; L274-V279 HydrophobicContact CB-CB 4.22Å; L274-V279 HydrophobicContact CB-CG2 4.12Å; L274-V279 HydrophobicContact CD2-CB 4.45Å; L274-V279 HydrophobicContact CD2-CG1 4.43Å; L274-V279 HydrophobicContact CD2-CG2 3.81Å; L274-V279 WeakPolarHBondContact O-CG2 3.02Å; L274-V279 PolarHBondContact O-N 3.03Å; L274-L322 HydrophobicContact CB-CD1 4.3Å; L274-L322 HydrophobicContact CB-CD2 3.68Å; L274-L322 HydrophobicContact CD1-CD2 4.2Å
275R97.3Very high97.1Very high64 Ų6428.5 Ų28.524%0.24214%0.142CC..Hα-helixtrans-61-48.9176.4-172.2-179.3-59.8102.3-0.9111.5R271 F273 N277 G278 L322 C324 E326R271-R275 VanDerWaalsContact O-CB 3.32Å; R271-R275 WeakPolarHBondContact O-CB 3.37Å; R271-R275 PolarHBondContact O-N 3.27Å; F273-R275 PolarHBondContact O-N 3.41Å; R275-N277 PolarHBondContact O-N 3.48Å; R275-N277 VanDerWaalsContact O-N 3.11Å; R275-G278 PolarHBondContact O-N 3.28Å; R275-L322 PolarHBondContact NE-O 3.11Å; R275-L322 PolarHBondContact NH2-O 3.46Å; R275-C324 PolarHBondContact NH2-O 3.33Å; R275-E326 IonicContact NH1-OE1 2.72Å; R275-E326 IonicContact NH2-OE1 3.54Å
276S96.2Very high97.1Very high71 Ų7128.4 Ų28.450%0.49714%0.141SC..Hα-helixtrans-65.5-13.6-179.167.80000114.7I231 T272 F273I231-S276 WeakPolarHBondContact CG2-O 3.14Å; T272-S276 VanDerWaalsContact O-CB 3.27Å; T272-S276 WeakPolarHBondContact O-CB 3.2Å; T272-S276 PolarHBondContact O-N 3.25Å; T272-S276 PolarHBondContact O-OG 2.91Å; F273-S276 PolarHBondContact O-N 3.17Å; F273-S276 PolarHBondContact O-OG 3.04Å
277N97.4Very high97.2Very high24 Ų2430.7 Ų30.713%0.12815%0.151CC..THydrogen-bonded Turntrans-110.214.5175.8-69.1-91.6000112.7L210 P233 F273 L274 R275 V279L210-N277 HydrophobicContact CD2-CB 3.28Å; L210-N277 VanDerWaalsContact CD2-CG 3.5Å; P233-N277 HydrophobicContact CG-CB 4.47Å; F273-N277 PolarHBondContact O-N 3.4Å; F273-N277 PolarHBondContact O-ND2 3.35Å; L274-N277 PolarHBondContact O-N 3.41Å; R275-N277 PolarHBondContact O-N 3.48Å; R275-N277 VanDerWaalsContact O-N 3.11Å; N277-V279 VanDerWaalsContact C-N 3.29Å; N277-V279 PolarHBondContact O-N 2.88Å
278G97.6Very high97.2Very high2 Ų234.9 Ų34.92%0.02117%0.167CC..THydrogen-bonded Turntrans67.822.6170.400000115L232 L274 R275 Y280 F281L232-G278 VanDerWaalsContact CD2-O 3.31Å; L232-G278 WeakPolarHBondContact CD2-O 3.4Å; L274-G278 PolarHBondContact O-N 3.38Å; R275-G278 PolarHBondContact O-N 3.28Å; G278-Y280 PolarHBondContact O-N 3.29Å; G278-F281 WeakPolarHBondContact O-CB 3.44Å; G278-F281 WeakPolarHBondContact O-CD2 3.29Å; G278-F281 PolarHBondContact O-N 3.43Å
279V98.5Very high97.2Very high0 Ų035 Ų350%016%0.164CC..Hα-helixtrans-56.6-35.7-176.9173.50000112.1L210 L214 F261 L274 N277 F281 I282 L283 L322L210-V279 HydrophobicContact CD1-CG2 3.88Å; L210-V279 HydrophobicContact CD2-CG2 4.34Å; L214-V279 HydrophobicContact CD1-CG2 4.32Å; L214-V279 HydrophobicContact CD2-CG1 4.36Å; L214-V279 HydrophobicContact CD2-CG2 4.33Å; F261-V279 HydrophobicContact CD2-CG1 3.96Å; F261-V279 HydrophobicContact CE2-CG1 3.97Å; F261-V279 HydrophobicContact CG-CG1 4.46Å; F261-V279 HydrophobicContact CZ-CG1 4.48Å; L274-V279 HydrophobicContact CB-CB 4.22Å; L274-V279 HydrophobicContact CB-CG2 4.12Å; L274-V279 HydrophobicContact CD2-CB 4.45Å; L274-V279 HydrophobicContact CD2-CG1 4.43Å; L274-V279 HydrophobicContact CD2-CG2 3.81Å; L274-V279 WeakPolarHBondContact O-CG2 3.02Å; L274-V279 PolarHBondContact O-N 3.03Å; N277-V279 VanDerWaalsContact C-N 3.29Å; N277-V279 PolarHBondContact O-N 2.88Å; V279-F281 PolarHBondContact O-N 3.29Å; V279-I282 PolarHBondContact O-N 3.31Å; V279-I282 VanDerWaalsContact O-N 3.17Å; V279-L283 HydrophobicContact CG1-CD1 4.02Å; V279-L283 HydrophobicContact CG1-CG 4.08Å; V279-L283 WeakPolarHBondContact O-CG 3.4Å; V279-L283 PolarHBondContact O-N 2.9Å; V279-L322 HydrophobicContact CB-CD1 4.3Å; V279-L322 HydrophobicContact CG1-CD1 4.32Å
280Y98.2Very high97.2Very high74 Ų7430.7 Ų30.729%0.2914%0.144SC..Hα-helixtrans-49.7-44173.6165.4-101.3000112.7G278 I282 L283 R284 V319 I323G278-Y280 PolarHBondContact O-N 3.29Å; Y280-I282 VanDerWaalsContact C-N 3.34Å; Y280-I282 PolarHBondContact O-N 3.35Å; Y280-L283 PolarHBondContact O-N 2.63Å; Y280-R284 WeakPolarHBondContact O-CB 3.3Å; Y280-R284 PolarHBondContact O-N 3.49Å; Y280-V319 HydrophobicContact CD2-CB 4.48Å; Y280-V319 HydrophobicContact CD2-CG1 3.85Å; Y280-V319 HydrophobicContact CD2-CG2 4.1Å; Y280-V319 HydrophobicContact CE2-CG1 3.7Å; Y280-V319 HydrophobicContact CE2-CG2 4.47Å; Y280-I323 HydrophobicContact CE2-CD1 4.24Å; Y280-I323 HydrophobicContact CE2-CG1 4.31Å
281F98.2Very high97.1Very high27 Ų2731.8 Ų31.812%0.11815%0.154CC..Hα-helixtrans-66.8-36.3-176.3-54-58.7000112.3I224 D228 I231 G278 V279 E285I224-F281 HydrophobicContact CD1-CB 3.97Å; I224-F281 HydrophobicContact CG1-CB 4.46Å; I224-F281 HydrophobicContact CG2-CB 4.24Å; D228-F281 HydrophobicContact CB-CD1 3.85Å; D228-F281 HydrophobicContact CB-CD2 3.89Å; D228-F281 HydrophobicContact CB-CE1 3.85Å; D228-F281 HydrophobicContact CB-CE2 3.89Å; D228-F281 HydrophobicContact CB-CG 3.87Å; D228-F281 HydrophobicContact CB-CZ 3.86Å; D228-F281 VanDerWaalsContact CG-CD1 3.44Å; D228-F281 WeakPolarHBondContact OD1-CE1 3.33Å; D228-F281 WeakPolarHBondContact OD1-CZ 3.22Å; D228-F281 WeakPolarHBondContact OD2-CD1 3.3Å; D228-F281 WeakPolarHBondContact OD2-CE1 3.42Å; I231-F281 HydrophobicContact CD1-CE2 3.94Å; I231-F281 HydrophobicContact CD1-CZ 4.4Å; G278-F281 WeakPolarHBondContact O-CB 3.44Å; G278-F281 WeakPolarHBondContact O-CD2 3.29Å; G278-F281 PolarHBondContact O-N 3.43Å; V279-F281 PolarHBondContact O-N 3.29Å; F281-E285 PolarHBondContact O-N 3.06Å
282I98.3Very high96.9Very high1 Ų138 Ų381%0.00518%0.181CC..Hα-helixtrans-68.6-46.5174.7-59.5-64.7000110.2L214 L217 I224 L232 V236 V279 Y280 R284 E285 V286L214-I282 HydrophobicContact CD2-CB 4.15Å; L214-I282 HydrophobicContact CD2-CG1 4.19Å; L214-I282 HydrophobicContact CD2-CG2 4.08Å; L217-I282 HydrophobicContact CB-CG2 3.77Å; L217-I282 HydrophobicContact CD1-CG2 4.26Å; I224-I282 HydrophobicContact CD1-CD1 3.73Å; L232-I282 HydrophobicContact CD1-CD1 4.07Å; L232-I282 HydrophobicContact CD2-CD1 4.2Å; L232-I282 HydrophobicContact CD2-CG1 3.87Å; V236-I282 HydrophobicContact CG1-CD1 3.6Å; V236-I282 HydrophobicContact CG1-CG1 4.2Å; V279-I282 PolarHBondContact O-N 3.31Å; V279-I282 VanDerWaalsContact O-N 3.17Å; Y280-I282 VanDerWaalsContact C-N 3.34Å; Y280-I282 PolarHBondContact O-N 3.35Å; I282-R284 VanDerWaalsContact C-N 3.29Å; I282-R284 PolarHBondContact O-N 3.39Å; I282-E285 PolarHBondContact O-N 3.15Å; I282-E285 VanDerWaalsContact O-N 3.16Å; I282-V286 HydrophobicContact CG2-CG2 4.36Å; I282-V286 WeakPolarHBondContact O-CG2 3.45Å; I282-V286 PolarHBondContact O-N 2.8Å
283L98.5Very high96.6Very high0 Ų036.8 Ų36.80%018%0.176CC..Hα-helixtrans-64.2-33.7-179.3-65.9-172000112.8L217 F261 V279 Y280 E285 V286 H287 I315 V318 V319L217-L283 HydrophobicContact CD1-CD2 4.18Å; F261-L283 HydrophobicContact CD2-CD1 4.38Å; F261-L283 HydrophobicContact CD2-CD2 4.25Å; F261-L283 HydrophobicContact CE2-CD2 4.34Å; V279-L283 HydrophobicContact CG1-CD1 4.02Å; V279-L283 HydrophobicContact CG1-CG 4.08Å; V279-L283 WeakPolarHBondContact O-CG 3.4Å; V279-L283 PolarHBondContact O-N 2.9Å; Y280-L283 PolarHBondContact O-N 2.63Å; L283-E285 PolarHBondContact O-N 2.78Å; L283-V286 PolarHBondContact O-N 2.94Å; L283-H287 WeakPolarHBondContact O-CB 3.43Å; L283-H287 PolarHBondContact O-N 3.3Å; L283-I315 HydrophobicContact CB-CG2 3.99Å; L283-V318 HydrophobicContact CD1-CB 3.93Å; L283-V318 HydrophobicContact CD1-CG1 3.49Å; L283-V318 VanDerWaalsContact CD1-CG1 3.49Å; L283-V319 HydrophobicContact CB-CG2 4.2Å
284R98Very high96.1Very high61 Ų6136.9 Ų36.923%0.2318%0.177CC..Hα-helixtrans-59.1-44.6172.9-179.2178.369-157.9-2.2112D228 Y280 I282 K288D228-R284 IonicContact OD2-CZ 2.73Å; D228-R284 IonicContact OD2-NH1 3.24Å; D228-R284 IonicContact OD2-NH2 3.16Å; D228-R284 PolarHBondContact OD2-NH2 3.33Å; D228-R284 VanDerWaalsContact OD2-NH2 3.16Å; Y280-R284 WeakPolarHBondContact O-CB 3.3Å; Y280-R284 PolarHBondContact O-N 3.49Å; I282-R284 VanDerWaalsContact C-N 3.29Å; I282-R284 PolarHBondContact O-N 3.39Å; R284-K288 WeakPolarHBondContact O-CG 3.09Å; R284-K288 PolarHBondContact O-N 3.3Å
285E97.8Very high95.6Very high11 Ų1144.3 Ų44.35%0.05121%0.212CC..Hα-helixtrans-74-36.5179.8-57.9-51.4109.100111.9D222 C223 I224 F281 I282 L283 K288 Y289D222-E285 HydrophobicContact CB-CB 4.13Å; D222-E285 HydrophobicContact CB-CG 4.11Å; D222-E285 WeakPolarHBondContact OD1-CB 3.44Å; C223-E285 PolarHBondContact N-OE2 3.4Å; I224-E285 HydrophobicContact CD1-CG 4.36Å; I224-E285 HydrophobicContact CG1-CG 3.91Å; F281-E285 PolarHBondContact O-N 3.06Å; I282-E285 PolarHBondContact O-N 3.15Å; I282-E285 VanDerWaalsContact O-N 3.16Å; L283-E285 PolarHBondContact O-N 2.78Å; E285-K288 PolarHBondContact O-N 3.18Å; E285-K288 IonicContact OE1-NZ 3.75Å; E285-K288 PolarHBondContact OE1-NZ 3.3Å; E285-K288 IonicContact OE2-NZ 2.62Å; E285-Y289 WeakPolarHBondContact O-CB 3.25Å; E285-Y289 PolarHBondContact O-N 3.06Å
286V97.2Very high95.1Very high0 Ų047.7 Ų47.70%023%0.23CC..Hα-helixtrans-61-44.6171.4178.30000111.1L217 Y254 I282 L283 Y289 V290 I315L217-V286 HydrophobicContact CB-CG2 3.84Å; L217-V286 VanDerWaalsContact O-CG2 3.3Å; L217-V286 WeakPolarHBondContact O-CG2 3.49Å; Y254-V286 HydrophobicContact CD2-CG1 4.18Å; Y254-V286 HydrophobicContact CE2-CG1 4.49Å; I282-V286 HydrophobicContact CG2-CG2 4.36Å; I282-V286 WeakPolarHBondContact O-CG2 3.45Å; I282-V286 PolarHBondContact O-N 2.8Å; L283-V286 PolarHBondContact O-N 2.94Å; V286-Y289 PolarHBondContact O-N 3.01Å; V286-V290 HydrophobicContact CG1-CG2 4.08Å; V286-V290 VanDerWaalsContact O-CG2 3.3Å; V286-V290 WeakPolarHBondContact O-CG2 2.8Å; V286-V290 PolarHBondContact O-N 3.12Å; V286-I315 HydrophobicContact CB-CD1 4.29Å; V286-I315 HydrophobicContact CG1-CD1 3.71Å
287H97.4Very high94.3Very high54 Ų5446.7 Ų46.725%0.2522%0.219CC..Hα-helixtrans-58.1-51.2178.3-176.8-80.1000111.3L283 Y289 V290 A291 I315 E316L283-H287 WeakPolarHBondContact O-CB 3.43Å; L283-H287 PolarHBondContact O-N 3.3Å; H287-Y289 VanDerWaalsContact C-N 3.29Å; H287-Y289 PolarHBondContact O-N 2.93Å; H287-V290 PolarHBondContact O-N 2.71Å; H287-A291 VanDerWaalsContact O-CB 3.24Å; H287-A291 WeakPolarHBondContact O-CB 3.5Å; H287-A291 PolarHBondContact O-N 3.02Å; H287-I315 HydrophobicContact CB-CD1 4.44Å; H287-I315 HydrophobicContact CB-CG2 3.96Å; H287-E316 IonicContact CD2-OE1 3.69Å; H287-E316 IonicContact CE1-OE1 3.31Å; H287-E316 IonicContact NE2-OE1 3.53Å; H287-E316 PolarHBondContact NE2-OE1 3.06Å
288K96.9Very high93.2Very high108 Ų10855 Ų5547%0.4726%0.257SS..Hα-helixtrans-56-43.9175.7-69.6170.3-176.3168.70112.3R284 E285 K292R284-K288 WeakPolarHBondContact O-CG 3.09Å; R284-K288 PolarHBondContact O-N 3.3Å; E285-K288 PolarHBondContact O-N 3.18Å; E285-K288 IonicContact OE1-NZ 3.75Å; E285-K288 PolarHBondContact OE1-NZ 3.3Å; E285-K288 IonicContact OE2-NZ 2.62Å; K288-K292 WeakPolarHBondContact O-CB 3.49Å; K288-K292 PolarHBondContact O-N 2.91Å; K288-K292 VanDerWaalsContact O-N 3.12Å
289Y95.3Very high92.1Very high58 Ų5858 Ų5823%0.22728%0.277CS..Hα-helixtrans-63.9-48.3-179.4172.4-91.4000111.7E221 R247 F249 E285 V286 H287 A293E221-Y289 HydrophobicContact CG-CD2 4.32Å; E221-Y289 WeakPolarHBondContact OE1-CD2 3.46Å; R247-Y289 VanDerWaalsContact CD-CE1 3.43Å; R247-Y289 VanDerWaalsContact CD-CZ 3.41Å; F249-Y289 WeakPolarHBondContact CD1-OH 3.35Å; F249-Y289 AromaticContact CE1-CZ 3.97Å; F249-Y289 WeakPolarHBondContact CE1-OH 3.35Å; E285-Y289 WeakPolarHBondContact O-CB 3.25Å; E285-Y289 PolarHBondContact O-N 3.06Å; V286-Y289 PolarHBondContact O-N 3.01Å; H287-Y289 VanDerWaalsContact C-N 3.29Å; H287-Y289 PolarHBondContact O-N 2.93Å; Y289-A293 PolarHBondContact O-N 2.95Å; Y289-A293 VanDerWaalsContact O-N 3.17Å
290V94.7Very high90.8Very high4 Ų461.5 Ų61.52%0.02430%0.299CS..Hα-helixtrans-69.4-41.5-179.4176.70000111.2V286 H287 K292 A293 E294 N308 L311 L312V286-V290 HydrophobicContact CG1-CG2 4.08Å; V286-V290 VanDerWaalsContact O-CG2 3.3Å; V286-V290 WeakPolarHBondContact O-CG2 2.8Å; V286-V290 PolarHBondContact O-N 3.12Å; H287-V290 PolarHBondContact O-N 2.71Å; V290-K292 VanDerWaalsContact C-N 3.32Å; V290-K292 PolarHBondContact O-N 3.09Å; V290-A293 WeakPolarHBondContact O-CB 3.49Å; V290-A293 PolarHBondContact O-N 3.16Å; V290-A293 VanDerWaalsContact O-N 3.1Å; V290-E294 WeakPolarHBondContact O-CB 3.31Å; V290-E294 PolarHBondContact O-N 2.96Å; V290-N308 HydrophobicContact CG1-CB 4.14Å; V290-L311 HydrophobicContact CG1-CD2 4.19Å; V290-L311 HydrophobicContact CG2-CD2 3.68Å; V290-L311 HydrophobicContact CG2-CG 4.5Å; V290-L312 HydrophobicContact CB-CD2 3.92Å; V290-L312 HydrophobicContact CB-CG 4.43Å; V290-L312 HydrophobicContact CG1-CD1 4.29Å; V290-L312 HydrophobicContact CG1-CD2 3.87Å; V290-L312 HydrophobicContact CG1-CG 3.81Å
291A93.9Very high89.8Confident23 Ų2366.1 Ų66.119%0.1932%0.324CS..Hα-helixtrans-59.4-44.2177.500000111.3H287 A293 E294 E295 L312H287-A291 VanDerWaalsContact O-CB 3.24Å; H287-A291 WeakPolarHBondContact O-CB 3.5Å; H287-A291 PolarHBondContact O-N 3.02Å; A291-A293 VanDerWaalsContact C-N 3.31Å; A291-A293 PolarHBondContact O-N 3.25Å; A291-E294 WeakPolarHBondContact O-CB 3.31Å; A291-E294 PolarHBondContact O-N 3.44Å; A291-E295 WeakPolarHBondContact O-CG 3.43Å; A291-E295 PolarHBondContact O-N 2.86Å; A291-L312 HydrophobicContact CB-CD2 4.13Å
292K92.9Very high89.1Confident131 Ų13167.3 Ų67.357%0.5733%0.334SS*.Hα-helixtrans-64-35175.4-175.5179.1179.6-177.40113.2K288 V290 Q296K288-K292 WeakPolarHBondContact O-CB 3.49Å; K288-K292 PolarHBondContact O-N 2.91Å; K288-K292 VanDerWaalsContact O-N 3.12Å; V290-K292 VanDerWaalsContact C-N 3.32Å; V290-K292 PolarHBondContact O-N 3.09Å; K292-Q296 WeakPolarHBondContact O-CG 3.26Å
293A89.3Confident88.4Confident33 Ų3374.2 Ų74.227%0.27337%0.37SS..Hα-helixtrans-69.8-37.8175.800000111.1Y289 V290 A291 Q296Y289-A293 PolarHBondContact O-N 2.95Å; Y289-A293 VanDerWaalsContact O-N 3.17Å; V290-A293 WeakPolarHBondContact O-CB 3.49Å; V290-A293 PolarHBondContact O-N 3.16Å; V290-A293 VanDerWaalsContact O-N 3.1Å; A291-A293 VanDerWaalsContact C-N 3.31Å; A291-A293 PolarHBondContact O-N 3.25Å; A293-Q296 PolarHBondContact O-N 3.44Å
294E86.9Confident87.8Confident29 Ų2980.2 Ų80.214%0.13640%0.398CS..Hα-helixtrans-64.2-43.3177.7-167.5-82.9170.100112V290 A291 Q296 I297 K309V290-E294 WeakPolarHBondContact O-CB 3.31Å; V290-E294 PolarHBondContact O-N 2.96Å; A291-E294 WeakPolarHBondContact O-CB 3.31Å; A291-E294 PolarHBondContact O-N 3.44Å; E294-Q296 PolarHBondContact O-N 3.45Å; E294-I297 WeakPolarHBondContact O-CB 3.2Å; E294-I297 PolarHBondContact O-N 2.93Å; E294-K309 WeakPolarHBondContact OE1-CE 3.35Å
295E87.5Confident87.2Confident156 Ų15677.3 Ų77.373%0.72939%0.388SS*.THydrogen-bonded Turntrans-56.4-22174.1-72.5174.3-177.100113.9A291A291-E295 WeakPolarHBondContact O-CG 3.43Å; A291-E295 PolarHBondContact O-N 2.86Å
296Q85.7Confident86.8Confident135 Ų13580 Ų8063%0.63141%0.405SS*.THydrogen-bonded Turntrans-91.9-9.9-179.4-64.6173.116.300113.1K292 A293 E294 Q298K292-Q296 WeakPolarHBondContact O-CG 3.26Å; A293-Q296 PolarHBondContact O-N 3.44Å; E294-Q296 PolarHBondContact O-N 3.45Å; Q296-Q298 PolarHBondContact O-N 3.27Å
297I80.5Confident86.5Confident49 Ų4981.7 Ų81.725%0.25142%0.415SS..  trans-77.4116.5-179.4-62.6175.7000109.2E294 C299 A305 N308E294-I297 WeakPolarHBondContact O-CB 3.2Å; E294-I297 PolarHBondContact O-N 2.93Å; I297-C299 VanDerWaalsContact C-N 3.31Å; I297-C299 VanDerWaalsContact CG2-O 3.24Å; I297-C299 WeakPolarHBondContact CG2-O 3.35Å; I297-C299 PolarHBondContact O-N 3.26Å; I297-A305 HydrophobicContact CD1-CB 4.2Å; I297-A305 HydrophobicContact CG2-CB 4.18Å; I297-N308 WeakPolarHBondContact CD1-ND2 3.48Å
298Q73.7Confident86.3Confident199 Ų19979.4 Ų79.493%0.9341%0.405SS*.SBendtrans-74.4-20.1-179.7-65.1178.12.400113.6Q296Q296-Q298 PolarHBondContact O-N 3.27Å
299C75.1Confident86.1Confident65 Ų6574.8 Ų74.844%0.43938%0.384SS..  trans-127.7103.4-175.1-1720000110.9I297 E301 T302I297-C299 VanDerWaalsContact C-N 3.31Å; I297-C299 VanDerWaalsContact CG2-O 3.24Å; I297-C299 WeakPolarHBondContact CG2-O 3.35Å; I297-C299 PolarHBondContact O-N 3.26Å; C299-E301 PolarHBondContact O-N 3.14Å; C299-T302 HydrophobicContact CB-CG2 4.12Å; C299-T302 PolarHBondContact O-OG1 2.8Å
300P71.2Confident86.1Confident73 Ų7375.3 Ų75.347%0.47439%0.389SS..THydrogen-bonded Turntrans-73.1-9.2-172.229-35.2000114.2A305P300-A305 WeakPolarHBondContact O-CB 3.35Å
301E77.1Confident86.2Confident171 Ų17175.1 Ų75.180%0.79939%0.388SS*.THydrogen-bonded Turntrans-96.37-176.5-62.4-177.2173.100113.7C299C299-E301 PolarHBondContact O-N 3.14Å
302T82.5Confident86.4Confident53 Ų5374.2 Ų74.233%0.32538%0.38SS..SBendtrans-73.5149.5175.160.10000111.3C299 E304 A305 V306C299-T302 HydrophobicContact CB-CG2 4.12Å; C299-T302 PolarHBondContact O-OG1 2.8Å; T302-E304 PolarHBondContact O-N 2.89Å; T302-E304 VanDerWaalsContact O-N 3.14Å; T302-A305 WeakPolarHBondContact O-CB 3.28Å; T302-A305 PolarHBondContact O-N 3.01Å; T302-A305 WeakPolarHBondContact OG1-CB 3.17Å; T302-A305 PolarHBondContact OG1-N 3.42Å; T302-V306 PolarHBondContact O-N 3.27Å
303D84.4Confident86.6Confident145 Ų14569.3 Ų69.378%0.77536%0.359SS*.Hα-helixtrans-53.4-35174.6-68.9-22.4000111.9T307D303-T307 WeakPolarHBondContact O-CB 3.36Å; D303-T307 PolarHBondContact O-N 3.37Å; D303-T307 PolarHBondContact O-OG1 2.9Å
304E85.5Confident87Confident126 Ų12668.2 Ų68.259%0.58935%0.349SS*.Hα-helixtrans-66.5-46.1175.8-175.4175.8-178.800112.3T302 V306 T307 N308T302-E304 PolarHBondContact O-N 2.89Å; T302-E304 VanDerWaalsContact O-N 3.14Å; E304-V306 PolarHBondContact O-N 3.42Å; E304-T307 PolarHBondContact O-N 3.12Å; E304-N308 WeakPolarHBondContact O-CB 3.19Å; E304-N308 VanDerWaalsContact O-CG 3.27Å; E304-N308 PolarHBondContact O-N 3Å
305A86.4Confident87.5Confident1 Ų166.9 Ų66.91%0.00834%0.343CS..Hα-helixtrans-60.8-45.3176.800000111.7I297 P300 T302 T307 N308 K309I297-A305 HydrophobicContact CD1-CB 4.2Å; I297-A305 HydrophobicContact CG2-CB 4.18Å; P300-A305 WeakPolarHBondContact O-CB 3.35Å; T302-A305 WeakPolarHBondContact O-CB 3.28Å; T302-A305 PolarHBondContact O-N 3.01Å; T302-A305 WeakPolarHBondContact OG1-CB 3.17Å; T302-A305 PolarHBondContact OG1-N 3.42Å; A305-T307 PolarHBondContact O-N 2.92Å; A305-N308 PolarHBondContact O-N 3.27Å; A305-K309 WeakPolarHBondContact O-CG 3.41Å; A305-K309 PolarHBondContact O-N 3.29Å
306V88.8Confident88Confident67 Ų6762.3 Ų62.341%0.40632%0.321SS..Hα-helixtrans-60.2-47.2176.61760000110.5T302 E304 N308 K309 E310T302-V306 PolarHBondContact O-N 3.27Å; E304-V306 PolarHBondContact O-N 3.42Å; V306-N308 VanDerWaalsContact C-N 3.32Å; V306-N308 PolarHBondContact O-N 2.75Å; V306-K309 PolarHBondContact O-N 3.21Å; V306-E310 WeakPolarHBondContact O-CG 3.4Å; V306-E310 PolarHBondContact O-N 3.27Å
307T91.7Very high88.6Confident36 Ų3658.8 Ų58.822%0.22131%0.305CS..Hα-helixtrans-64-37.2179.5-51.10000111.7T251 L255 D303 E304 A305 E310 L311T251-T307 HydrophobicContact CG2-CG2 3.61Å; L255-T307 HydrophobicContact CD2-CG2 4.11Å; D303-T307 WeakPolarHBondContact O-CB 3.36Å; D303-T307 PolarHBondContact O-N 3.37Å; D303-T307 PolarHBondContact O-OG1 2.9Å; E304-T307 PolarHBondContact O-N 3.12Å; A305-T307 PolarHBondContact O-N 2.92Å; T307-E310 PolarHBondContact O-N 3.44Å; T307-L311 WeakPolarHBondContact O-CB 3.33Å; T307-L311 PolarHBondContact O-N 3.44Å
308N93.2Very high89.4Confident6 Ų656.5 Ų56.53%0.03229%0.293CS..Hα-helixtrans-63.6-43176-74.8-13.7000111.4T251 V290 I297 E304 A305 V306 L311 L312T251-N308 WeakPolarHBondContact CB-OD1 3.18Å; T251-N308 HydrophobicContact CG2-CB 4.49Å; T251-N308 WeakPolarHBondContact CG2-OD1 3.11Å; T251-N308 PolarHBondContact OG1-OD1 2.96Å; V290-N308 HydrophobicContact CG1-CB 4.14Å; I297-N308 WeakPolarHBondContact CD1-ND2 3.48Å; E304-N308 WeakPolarHBondContact O-CB 3.19Å; E304-N308 VanDerWaalsContact O-CG 3.27Å; E304-N308 PolarHBondContact O-N 3Å; A305-N308 PolarHBondContact O-N 3.27Å; V306-N308 VanDerWaalsContact C-N 3.32Å; V306-N308 PolarHBondContact O-N 2.75Å; N308-L311 WeakPolarHBondContact O-CB 3.4Å; N308-L311 PolarHBondContact O-N 3.07Å; N308-L312 WeakPolarHBondContact O-CG 3.38Å; N308-L312 PolarHBondContact O-N 3.34Å
309K92.6Very high90.6Very high10 Ų1048 Ų484%0.04325%0.254CS..Hα-helixtrans-64.3-42.3175.6-70.9177.3175.6-179.70112.3E294 A305 V306 L311 L312 F313 L359 M362E294-K309 WeakPolarHBondContact OE1-CE 3.35Å; A305-K309 WeakPolarHBondContact O-CG 3.41Å; A305-K309 PolarHBondContact O-N 3.29Å; V306-K309 PolarHBondContact O-N 3.21Å; K309-L311 VanDerWaalsContact C-N 3.27Å; K309-L311 PolarHBondContact O-N 3.43Å; K309-L312 PolarHBondContact O-N 3.4Å; K309-F313 WeakPolarHBondContact O-CB 3.45Å; K309-F313 PolarHBondContact O-N 3.16Å; K309-L359 HydrophobicContact CB-CD2 3.96Å; K309-L359 WeakPolarHBondContact CD-O 3.47Å; K309-M362 WeakPolarHBondContact CE-O 3.34Å; K309-M362 PolarHBondContact NZ-O 2.81Å
310E95.1Very high91.6Very high70 Ų7049 Ų4933%0.32726%0.255SS..Hα-helixtrans-60.5-38.5173.9-72-171.2154.900112.3L255 V306 T307 C314 L359L255-E310 HydrophobicContact CD1-CB 4.38Å; L255-E310 HydrophobicContact CD2-CB 4.22Å; V306-E310 WeakPolarHBondContact O-CG 3.4Å; V306-E310 PolarHBondContact O-N 3.27Å; T307-E310 PolarHBondContact O-N 3.44Å; E310-C314 VanDerWaalsContact O-CB 3.25Å; E310-C314 WeakPolarHBondContact O-CB 3.31Å; E310-C314 PolarHBondContact O-N 3.31Å; E310-L359 HydrophobicContact CB-CD2 4.47Å; E310-L359 HydrophobicContact CG-CD1 4.37Å; E310-L359 HydrophobicContact CG-CD2 3.86Å
311L96.9Very high92.7Very high0 Ų047.8 Ų47.80%024%0.243CC..Hα-helixtrans-65.3-49.2175.3173.658.3000111.9T251 Y254 L255 C258 V290 T307 N308 K309 F313 C314 I315T251-L311 HydrophobicContact CG2-CB 3.98Å; T251-L311 HydrophobicContact CG2-CD2 3.65Å; T251-L311 HydrophobicContact CG2-CG 4.49Å; Y254-L311 HydrophobicContact CD2-CD2 3.99Å; Y254-L311 HydrophobicContact CG-CD2 4.3Å; L255-L311 HydrophobicContact CB-CB 4.47Å; L255-L311 HydrophobicContact CB-CD1 4.35Å; C258-L311 HydrophobicContact CB-CD1 4.24Å; V290-L311 HydrophobicContact CG1-CD2 4.19Å; V290-L311 HydrophobicContact CG2-CD2 3.68Å; V290-L311 HydrophobicContact CG2-CG 4.5Å; T307-L311 WeakPolarHBondContact O-CB 3.33Å; T307-L311 PolarHBondContact O-N 3.44Å; N308-L311 WeakPolarHBondContact O-CB 3.4Å; N308-L311 PolarHBondContact O-N 3.07Å; K309-L311 VanDerWaalsContact C-N 3.27Å; K309-L311 PolarHBondContact O-N 3.43Å; L311-F313 VanDerWaalsContact C-N 3.35Å; L311-F313 PolarHBondContact O-N 3.26Å; L311-C314 PolarHBondContact O-N 3.16Å; L311-I315 HydrophobicContact CD1-CD1 3.76Å; L311-I315 HydrophobicContact CD1-CG1 3.96Å; L311-I315 HydrophobicContact CG-CD1 3.89Å; L311-I315 WeakPolarHBondContact O-CG1 3.42Å; L311-I315 PolarHBondContact O-N 3.11Å
312L96.9Very high93.7Very high4 Ų440 Ų402%0.02121%0.207CC..Hα-helixtrans-57.3-49177.8-71170.4000111.1V290 A291 N308 K309 C314 I315 E316 Y358 M362V290-L312 HydrophobicContact CB-CD2 3.92Å; V290-L312 HydrophobicContact CB-CG 4.43Å; V290-L312 HydrophobicContact CG1-CD1 4.29Å; V290-L312 HydrophobicContact CG1-CD2 3.87Å; V290-L312 HydrophobicContact CG1-CG 3.81Å; A291-L312 HydrophobicContact CB-CD2 4.13Å; N308-L312 WeakPolarHBondContact O-CG 3.38Å; N308-L312 PolarHBondContact O-N 3.34Å; K309-L312 PolarHBondContact O-N 3.4Å; L312-C314 VanDerWaalsContact C-N 3.33Å; L312-C314 PolarHBondContact O-N 2.82Å; L312-I315 PolarHBondContact O-N 3.1Å; L312-E316 WeakPolarHBondContact O-CG 3.44Å; L312-E316 PolarHBondContact O-N 2.96Å; L312-Y358 WeakPolarHBondContact CB-OH 3.34Å; L312-M362 HydrophobicContact CD1-CE 4.45Å
313F96.7Very high94.2Very high28 Ų2842.3 Ų42.312%0.12322%0.217CC..Hα-helixtrans-55.5-49.2174.7-176.6-102000111.2K309 L311 I315 E316 Q317 K355 Y358K309-F313 WeakPolarHBondContact O-CB 3.45Å; K309-F313 PolarHBondContact O-N 3.16Å; L311-F313 VanDerWaalsContact C-N 3.35Å; L311-F313 PolarHBondContact O-N 3.26Å; F313-I315 VanDerWaalsContact C-N 3.32Å; F313-I315 PolarHBondContact O-N 2.97Å; F313-E316 PolarHBondContact O-N 3.05Å; F313-Q317 HydrophobicContact CD1-CG 4.05Å; F313-Q317 HydrophobicContact CE1-CG 3.66Å; F313-Q317 HydrophobicContact CE2-CG 4.47Å; F313-Q317 HydrophobicContact CZ-CG 3.9Å; F313-Q317 WeakPolarHBondContact O-CG 3.42Å; F313-Q317 PolarHBondContact O-N 2.9Å; F313-K355 HydrophobicContact CD1-CG 4.26Å; F313-K355 HydrophobicContact CE1-CB 4.23Å; F313-K355 HydrophobicContact CE1-CD 3.9Å; F313-K355 HydrophobicContact CE1-CG 3.74Å; F313-K355 HydrophobicContact CE2-CB 4.31Å; F313-K355 HydrophobicContact CE2-CG 4.37Å; F313-K355 HydrophobicContact CZ-CB 3.8Å; F313-K355 HydrophobicContact CZ-CD 4.33Å; F313-K355 HydrophobicContact CZ-CG 3.8Å; F313-Y358 HydrophobicContact CB-CD1 3.72Å; F313-Y358 HydrophobicContact CB-CE1 3.52Å; F313-Y358 AromaticContact CD2-CD1 3.66Å; F313-Y358 HydrophobicContact CD2-CD1 3.66Å; F313-Y358 HydrophobicContact CD2-CD2 4Å; F313-Y358 HydrophobicContact CD2-CE1 4.06Å; F313-Y358 HydrophobicContact CD2-CE2 4.35Å; F313-Y358 AromaticContact CD2-CG 3.63Å; F313-Y358 HydrophobicContact CD2-CG 3.63Å; F313-Y358 HydrophobicContact CE2-CG 4.35Å; F313-Y358 HydrophobicContact CG-CD1 4.09Å; F313-Y358 HydrophobicContact CG-CE1 4.29Å; F313-Y358 HydrophobicContact CG-CG 4.49Å
314C98.1Very high94.6Very high9 Ų937.2 Ų37.26%0.06119%0.192CC..Hα-helixtrans-62.3-38.8-179.2-171.70000112.4L255 C258 E310 L311 L312 Q317 V318L255-C314 HydrophobicContact CD1-CB 3.97Å; C258-C314 HydrophobicContact CB-CB 4.45Å; E310-C314 VanDerWaalsContact O-CB 3.25Å; E310-C314 WeakPolarHBondContact O-CB 3.31Å; E310-C314 PolarHBondContact O-N 3.31Å; L311-C314 PolarHBondContact O-N 3.16Å; L312-C314 VanDerWaalsContact C-N 3.33Å; L312-C314 PolarHBondContact O-N 2.82Å; C314-Q317 PolarHBondContact O-N 3.17Å; C314-V318 WeakPolarHBondContact O-CG2 3.44Å; C314-V318 PolarHBondContact O-N 2.85Å; C314-V318 VanDerWaalsContact O-N 3.11Å
315I98.5Very high94.8Very high2 Ų236.2 Ų36.21%0.0119%0.187CC..Hα-helixtrans-62.7-47.8176.4-71.4165000110.1C258 L283 V286 H287 L311 L312 F313 Q317 V318 V319C258-I315 HydrophobicContact CB-CG1 4.49Å; L283-I315 HydrophobicContact CB-CG2 3.99Å; V286-I315 HydrophobicContact CB-CD1 4.29Å; V286-I315 HydrophobicContact CG1-CD1 3.71Å; H287-I315 HydrophobicContact CB-CD1 4.44Å; H287-I315 HydrophobicContact CB-CG2 3.96Å; L311-I315 HydrophobicContact CD1-CD1 3.76Å; L311-I315 HydrophobicContact CD1-CG1 3.96Å; L311-I315 HydrophobicContact CG-CD1 3.89Å; L311-I315 WeakPolarHBondContact O-CG1 3.42Å; L311-I315 PolarHBondContact O-N 3.11Å; L312-I315 PolarHBondContact O-N 3.1Å; F313-I315 VanDerWaalsContact C-N 3.32Å; F313-I315 PolarHBondContact O-N 2.97Å; I315-Q317 VanDerWaalsContact C-N 3.32Å; I315-Q317 PolarHBondContact O-N 2.89Å; I315-V318 PolarHBondContact O-N 3.49Å; I315-V318 VanDerWaalsContact O-N 3.13Å; I315-V319 HydrophobicContact CG2-CG2 4.08Å; I315-V319 WeakPolarHBondContact O-CB 3.4Å; I315-V319 VanDerWaalsContact O-CG2 3.32Å; I315-V319 WeakPolarHBondContact O-CG2 3.48Å; I315-V319 PolarHBondContact O-N 3.46Å
316E97.8Very high95Very high60 Ų6037.7 Ų37.728%0.2819%0.194SC..Hα-helixtrans-58.4-44.5177.9-70.8172.1-162.500111.2H287 L312 F313 V318 V319 D320 Y358H287-E316 IonicContact CD2-OE1 3.69Å; H287-E316 IonicContact CE1-OE1 3.31Å; H287-E316 IonicContact NE2-OE1 3.53Å; H287-E316 PolarHBondContact NE2-OE1 3.06Å; L312-E316 WeakPolarHBondContact O-CG 3.44Å; L312-E316 PolarHBondContact O-N 2.96Å; F313-E316 PolarHBondContact O-N 3.05Å; E316-V318 VanDerWaalsContact C-N 3.32Å; E316-V318 PolarHBondContact O-N 3.03Å; E316-V319 PolarHBondContact O-N 3.5Å; E316-V319 VanDerWaalsContact O-N 3.16Å; E316-D320 WeakPolarHBondContact O-CB 3.22Å; E316-D320 VanDerWaalsContact O-CG 3.26Å; E316-D320 PolarHBondContact O-N 3.26Å; E316-Y358 PolarHBondContact OE1-OH 3.18Å; E316-Y358 WeakPolarHBondContact OE2-CE2 3.44Å; E316-Y358 PolarHBondContact OE2-OH 3.45Å
317Q97.4Very high95.1Very high61 Ų6139.3 Ų39.329%0.28521%0.208SC..Hα-helixtrans-59.3-40.7176-64.2-46.2-7200112.7L262 F313 C314 I315 Q321L262-Q317 HydrophobicContact CD1-CB 3.9Å; L262-Q317 HydrophobicContact CD2-CB 4.4Å; F313-Q317 HydrophobicContact CD1-CG 4.05Å; F313-Q317 HydrophobicContact CE1-CG 3.66Å; F313-Q317 HydrophobicContact CE2-CG 4.47Å; F313-Q317 HydrophobicContact CZ-CG 3.9Å; F313-Q317 WeakPolarHBondContact O-CG 3.42Å; F313-Q317 PolarHBondContact O-N 2.9Å; C314-Q317 PolarHBondContact O-N 3.17Å; I315-Q317 VanDerWaalsContact C-N 3.32Å; I315-Q317 PolarHBondContact O-N 2.89Å; Q317-Q321 WeakPolarHBondContact O-CG 3.07Å; Q317-Q321 PolarHBondContact O-N 2.73Å
318V98.5Very high95.1Very high0 Ų043.8 Ų43.80%023%0.227CC..Hα-helixtrans-67.4-46.8175.8177.50000110.4F261 L262 L283 C314 I315 E316 D320 Q321 L322F261-V318 HydrophobicContact CB-CG1 4.06Å; F261-V318 HydrophobicContact CB-CG2 4.22Å; L262-V318 HydrophobicContact CB-CG2 3.7Å; L262-V318 HydrophobicContact CD1-CG2 4.07Å; L262-V318 HydrophobicContact CG-CG2 4.46Å; L283-V318 HydrophobicContact CD1-CB 3.93Å; L283-V318 HydrophobicContact CD1-CG1 3.49Å; L283-V318 VanDerWaalsContact CD1-CG1 3.49Å; C314-V318 WeakPolarHBondContact O-CG2 3.44Å; C314-V318 PolarHBondContact O-N 2.85Å; C314-V318 VanDerWaalsContact O-N 3.11Å; I315-V318 PolarHBondContact O-N 3.49Å; I315-V318 VanDerWaalsContact O-N 3.13Å; E316-V318 VanDerWaalsContact C-N 3.32Å; E316-V318 PolarHBondContact O-N 3.03Å; V318-D320 VanDerWaalsContact C-N 3.35Å; V318-D320 PolarHBondContact O-N 3.33Å; V318-Q321 WeakPolarHBondContact O-CB 3.45Å; V318-Q321 PolarHBondContact O-N 3.02Å; V318-Q321 VanDerWaalsContact O-N 3.1Å; V318-L322 HydrophobicContact CG1-CD1 4.05Å; V318-L322 HydrophobicContact CG1-CG 4.29Å; V318-L322 WeakPolarHBondContact O-CG 3.38Å; V318-L322 PolarHBondContact O-N 3.46Å; V318-L322 VanDerWaalsContact O-N 3.09Å
319V98Very high94.9Very high20 Ų2045.3 Ų45.312%0.12123%0.232CC..Hα-helixtrans-59.3-44.8-178.7165.50000111.2Y280 L283 I315 E316 Q321 L322 I323Y280-V319 HydrophobicContact CD2-CB 4.48Å; Y280-V319 HydrophobicContact CD2-CG1 3.85Å; Y280-V319 HydrophobicContact CD2-CG2 4.1Å; Y280-V319 HydrophobicContact CE2-CG1 3.7Å; Y280-V319 HydrophobicContact CE2-CG2 4.47Å; L283-V319 HydrophobicContact CB-CG2 4.2Å; I315-V319 HydrophobicContact CG2-CG2 4.08Å; I315-V319 WeakPolarHBondContact O-CB 3.4Å; I315-V319 VanDerWaalsContact O-CG2 3.32Å; I315-V319 WeakPolarHBondContact O-CG2 3.48Å; I315-V319 PolarHBondContact O-N 3.46Å; E316-V319 PolarHBondContact O-N 3.5Å; E316-V319 VanDerWaalsContact O-N 3.16Å; V319-Q321 PolarHBondContact O-N 2.88Å; V319-L322 PolarHBondContact O-N 3.02Å; V319-I323 HydrophobicContact CG1-CD1 3.49Å; V319-I323 VanDerWaalsContact CG1-CD1 3.49Å; V319-I323 HydrophobicContact CG1-CG1 4.08Å; V319-I323 WeakPolarHBondContact O-CG1 3.32Å; V319-I323 PolarHBondContact O-N 3.38Å
320D95.5Very high94.6Very high86 Ų8648.1 Ų48.146%0.4625%0.247SC..Hα-helixtrans-57-39.5176-72.8-16.3000111.7E316 V318 L322 C324E316-D320 WeakPolarHBondContact O-CB 3.22Å; E316-D320 VanDerWaalsContact O-CG 3.26Å; E316-D320 PolarHBondContact O-N 3.26Å; V318-D320 VanDerWaalsContact C-N 3.35Å; V318-D320 PolarHBondContact O-N 3.33Å; D320-L322 VanDerWaalsContact C-N 3.34Å; D320-L322 PolarHBondContact O-N 3.3Å; D320-C324 PolarHBondContact O-N 3.14Å
321Q95.6Very high94.1Very high48 Ų4850.7 Ų50.722%0.22426%0.264CS..Hα-helixtrans-69.7-29.7175.8-62.7-51.4-51.100113.3C265 Q317 V318 V319 R329C265-Q321 HydrophobicContact CB-CB 3.88Å; C265-Q321 HydrophobicContact CB-CG 4.01Å; Q317-Q321 WeakPolarHBondContact O-CG 3.07Å; Q317-Q321 PolarHBondContact O-N 2.73Å; V318-Q321 WeakPolarHBondContact O-CB 3.45Å; V318-Q321 PolarHBondContact O-N 3.02Å; V318-Q321 VanDerWaalsContact O-N 3.1Å; V319-Q321 PolarHBondContact O-N 2.88Å; Q321-R329 PolarHBondContact O-NH2 3.46Å
322L96.8Very high93.3Very high7 Ų759.3 Ų59.34%0.03730%0.296CS..Hα-helixtrans-84.7-32.3-178.3-63.1-175.1000113L274 R275 V279 V318 V319 D320L274-L322 HydrophobicContact CB-CD1 4.3Å; L274-L322 HydrophobicContact CB-CD2 3.68Å; L274-L322 HydrophobicContact CD1-CD2 4.2Å; R275-L322 PolarHBondContact NE-O 3.11Å; R275-L322 PolarHBondContact NH2-O 3.46Å; V279-L322 HydrophobicContact CB-CD1 4.3Å; V279-L322 HydrophobicContact CG1-CD1 4.32Å; V318-L322 HydrophobicContact CG1-CD1 4.05Å; V318-L322 HydrophobicContact CG1-CG 4.29Å; V318-L322 WeakPolarHBondContact O-CG 3.38Å; V318-L322 PolarHBondContact O-N 3.46Å; V318-L322 VanDerWaalsContact O-N 3.09Å; V319-L322 PolarHBondContact O-N 3.02Å; D320-L322 VanDerWaalsContact C-N 3.34Å; D320-L322 PolarHBondContact O-N 3.3Å
323I94.8Very high92.5Very high102 Ų10263.8 Ų63.852%0.52331%0.313SS..Hα-helixtrans-67.3-42.6176.4-69.3172.1000110.6Y280 V319 E325Y280-I323 HydrophobicContact CE2-CD1 4.24Å; Y280-I323 HydrophobicContact CE2-CG1 4.31Å; V319-I323 HydrophobicContact CG1-CD1 3.49Å; V319-I323 VanDerWaalsContact CG1-CD1 3.49Å; V319-I323 HydrophobicContact CG1-CG1 4.08Å; V319-I323 WeakPolarHBondContact O-CG1 3.32Å; V319-I323 PolarHBondContact O-N 3.38Å; I323-E325 PolarHBondContact O-N 3.22Å; I323-E325 VanDerWaalsContact O-N 3.15Å
324C92.3Very high91.6Very high38 Ų3862.7 Ų62.726%0.25731%0.31SS..SBendtrans-69.4107.7177.5-175.10000111R275 D320 E328R275-C324 PolarHBondContact NH2-O 3.33Å; D320-C324 PolarHBondContact O-N 3.14Å; C324-E328 WeakPolarHBondContact CA-OE2 3.43Å
325E90Very high90.8Very high106 Ų10670.9 Ų70.950%0.49534%0.344SS..  trans-68.2156.2179-69.4-166.5175.900111.6I323 S327 E328 R329I323-E325 PolarHBondContact O-N 3.22Å; I323-E325 VanDerWaalsContact O-N 3.15Å; E325-S327 PolarHBondContact O-N 3.18Å; E325-E328 HydrophobicContact CB-CG 4.16Å; E325-E328 PolarHBondContact N-OE2 3.15Å; E325-E328 WeakPolarHBondContact O-CB 3.44Å; E325-E328 PolarHBondContact O-N 3.1Å; E325-R329 PolarHBondContact O-N 2.9Å
326E90.6Very high90.2Very high32 Ų3272.6 Ų72.615%0.1536%0.356CS..G310 helixtrans-63.8-27.9-177.9-58.6-54.6136.300112.8N268 R271 R275 E328 R329N268-E326 PolarHBondContact ND2-OE2 2.8Å; N268-E326 VanDerWaalsContact ND2-OE2 3.1Å; R271-E326 VanDerWaalsContact CB-OE1 3.31Å; R271-E326 WeakPolarHBondContact CB-OE1 3.42Å; R271-E326 IonicContact CZ-OE1 3.95Å; R271-E326 IonicContact CZ-OE2 3.88Å; R271-E326 IonicContact NE-OE1 3.82Å; R271-E326 PolarHBondContact NE-OE1 3.46Å; R271-E326 IonicContact NE-OE2 3.68Å; R271-E326 PolarHBondContact NE-OE2 2.91Å; R271-E326 IonicContact NH2-OE1 2.75Å; R271-E326 IonicContact NH2-OE2 3.88Å; R271-E326 PolarHBondContact NH2-OE2 3.39Å; R275-E326 IonicContact NH1-OE1 2.72Å; R275-E326 IonicContact NH2-OE1 3.54Å; E326-E328 VanDerWaalsContact C-N 3.29Å; E326-E328 PolarHBondContact O-N 3.37Å; E326-R329 PolarHBondContact O-N 3.5Å; E326-R329 IonicContact OE1-NE 2.67Å
327S90.5Very high90Very high101 Ų10170.1 Ų70.171%0.70635%0.346SS*.G310 helixtrans-73.7-16.6174.346.70000114.3E325E325-S327 PolarHBondContact O-N 3.18Å
328E91.6Very high89.8Confident130 Ų13069.3 Ų69.361%0.60734%0.343SS*.G310 helixtrans-90.4-13.8176.9-59.3177.2146.200111.8C324 E325 E326C324-E328 WeakPolarHBondContact CA-OE2 3.43Å; E325-E328 HydrophobicContact CB-CG 4.16Å; E325-E328 PolarHBondContact N-OE2 3.15Å; E325-E328 WeakPolarHBondContact O-CB 3.44Å; E325-E328 PolarHBondContact O-N 3.1Å; E326-E328 VanDerWaalsContact C-N 3.29Å; E326-E328 PolarHBondContact O-N 3.37Å
329R89.5Confident89.4Confident38 Ų3873.7 Ų73.714%0.14336%0.36CS..SBendtrans-81.2146177.9-67.1178.4179.5-97.7-1.1110.2R271 Q321 E325 E326 D331 A334R271-R329 VanDerWaalsContact CD-NH2 3.29Å; Q321-R329 PolarHBondContact O-NH2 3.46Å; E325-R329 PolarHBondContact O-N 2.9Å; E326-R329 PolarHBondContact O-N 3.5Å; E326-R329 IonicContact OE1-NE 2.67Å; R329-D331 PolarHBondContact O-N 3.23Å; R329-A334 HydrophobicContact CB-CB 4.01Å
330D86.5Confident89Confident68 Ų6879.2 Ų79.236%0.36438%0.384SS..  trans-60.7121.6171.6-179.7-25000109.9R332 Y333 A334D330-R332 PolarHBondContact O-N 3.48Å; D330-R332 VanDerWaalsContact OD1-CB 3.23Å; D330-R332 WeakPolarHBondContact OD1-CB 3.3Å; D330-R332 VanDerWaalsContact OD1-CG 3.29Å; D330-R332 WeakPolarHBondContact OD1-CG 3.32Å; D330-R332 PolarHBondContact OD1-N 3.27Å; D330-R332 IonicContact OD1-NE 3.04Å; D330-R332 PolarHBondContact OD1-NE 3.05Å; D330-R332 VanDerWaalsContact OD1-NE 3.13Å; D330-R332 IonicContact OD2-CZ 2.68Å; D330-R332 VanDerWaalsContact OD2-CZ 3.24Å; D330-R332 IonicContact OD2-NE 2.7Å; D330-R332 PolarHBondContact OD2-NE 3.12Å; D330-R332 IonicContact OD2-NH2 2.75Å; D330-R332 PolarHBondContact OD2-NH2 2.79Å; D330-Y333 HydrophobicContact CB-CD2 3.9Å; D330-Y333 HydrophobicContact CB-CE2 4.5Å; D330-Y333 CarbonylContact O-C 3.58Å; D330-Y333 PolarHBondContact O-N 2.89Å; D330-A334 WeakPolarHBondContact O-CB 3.4Å; D330-A334 PolarHBondContact O-N 3.37Å
331D83.8Confident88.7Confident125 Ų12577.6 Ų77.667%0.66838%0.375SS*.Hα-helixtrans-51-28-179-84-29.2000113.8R329 Y333R329-D331 PolarHBondContact O-N 3.23Å; D331-Y333 PolarHBondContact O-N 3.41Å
332R79.9Confident88.2Confident180 Ų18083.1 Ų83.168%0.67941%0.406SS*.Hα-helixtrans-65.2-29.1176.9-63179.1-68.6176.80.8112.6D330D330-R332 PolarHBondContact O-N 3.48Å; D330-R332 VanDerWaalsContact OD1-CB 3.23Å; D330-R332 WeakPolarHBondContact OD1-CB 3.3Å; D330-R332 VanDerWaalsContact OD1-CG 3.29Å; D330-R332 WeakPolarHBondContact OD1-CG 3.32Å; D330-R332 PolarHBondContact OD1-N 3.27Å; D330-R332 IonicContact OD1-NE 3.04Å; D330-R332 PolarHBondContact OD1-NE 3.05Å; D330-R332 VanDerWaalsContact OD1-NE 3.13Å; D330-R332 IonicContact OD2-CZ 2.68Å; D330-R332 VanDerWaalsContact OD2-CZ 3.24Å; D330-R332 IonicContact OD2-NE 2.7Å; D330-R332 PolarHBondContact OD2-NE 3.12Å; D330-R332 IonicContact OD2-NH2 2.75Å; D330-R332 PolarHBondContact OD2-NH2 2.79Å
333Y79.6Confident87.7Confident99 Ų9987.1 Ų87.139%0.38843%0.426SS..Hα-helixtrans-115.1-15.1-176.6-52.2-64.8000112.8D330 D331 K335 I341D330-Y333 HydrophobicContact CB-CD2 3.9Å; D330-Y333 HydrophobicContact CB-CE2 4.5Å; D330-Y333 CarbonylContact O-C 3.58Å; D330-Y333 PolarHBondContact O-N 2.89Å; D331-Y333 PolarHBondContact O-N 3.41Å; Y333-K335 VanDerWaalsContact C-N 3.25Å; Y333-K335 PolarHBondContact O-N 3.28Å; Y333-I341 HydrophobicContact CD1-CD1 4.09Å; Y333-I341 HydrophobicContact CD1-CG1 3.83Å; Y333-I341 HydrophobicContact CE1-CG1 4.46Å; Y333-I341 HydrophobicContact CE1-CG2 4.41Å; Y333-I341 HydrophobicContact CG-CD1 4.16Å; Y333-I341 HydrophobicContact CG-CG1 4.4Å
334A78.3Confident87.6Confident5 Ų586.3 Ų86.34%0.04142%0.423CS..Hα-helixtrans-65.7-27.1-17800000113.1N268 R329 D330N268-A334 WeakPolarHBondContact CB-O 3.25Å; N268-A334 PolarHBondContact ND2-O 3.39Å; R329-A334 HydrophobicContact CB-CB 4.01Å; D330-A334 WeakPolarHBondContact O-CB 3.4Å; D330-A334 PolarHBondContact O-N 3.37Å
335K81.3Confident87.8Confident181 Ų18189.4 Ų89.479%0.78744%0.441SS*.SBendtrans-96.7-27.4-175-65.6-179.7-176.91720114.6Y333Y333-K335 VanDerWaalsContact C-N 3.25Å; Y333-K335 PolarHBondContact O-N 3.28Å
336S86.2Confident88Confident37 Ų3791.8 Ų91.826%0.25945%0.452SS..SBendtrans-88.1170.8178.552.10000111.6E340S336-E340 WeakPolarHBondContact CB-OE2 3.35Å
337S93.9Very high88.1Confident9 Ų993.1 Ų93.16%0.06346%0.462CS..  trans-67.7135.9169.1-176.30000109.6D196 S266 R339 E340D196-S337 WeakPolarHBondContact OD2-CB 3.28Å; D196-S337 PolarHBondContact OD2-OG 3.3Å; S266-S337 CarbonylContact O-C 3.51Å; S266-S337 WeakPolarHBondContact O-CA 3.3Å; S337-R339 PolarHBondContact O-N 3.43Å; S337-R339 VanDerWaalsContact O-N 3.09Å; S337-R339 PolarHBondContact OG-N 3.28Å; S337-E340 WeakPolarHBondContact O-CB 3.39Å; S337-E340 PolarHBondContact O-N 3.31Å
338L92.8Very high88.2Confident44 Ų4494.2 Ų94.223%0.2345%0.454CS..G310 helixtrans-59.3-21.7172.5-61.3-178.1000111.7C265 S266 E340 I341C265-L338 WeakPolarHBondContact O-CD1 3.45Å; S266-L338 WeakPolarHBondContact O-CG 3.48Å; S266-L338 PolarHBondContact O-N 3.5Å; L338-E340 PolarHBondContact O-N 3.49Å; L338-I341 HydrophobicContact CB-CD1 4.29Å; L338-I341 HydrophobicContact CD2-CD1 3.64Å; L338-I341 WeakPolarHBondContact O-CB 3.26Å; L338-I341 WeakPolarHBondContact O-CG1 3.47Å; L338-I341 PolarHBondContact O-N 3.33Å
339R90.4Very high88.3Confident92 Ų9293.2 Ų93.235%0.34745%0.45SS..G310 helixtrans-69.3-19.9175.5-58.7-169-175.199.2-1.1113.3S193 D196 Q263 S266 S337 I341S193-R339 PolarHBondContact O-NH2 3.11Å; D196-R339 IonicContact OD1-CZ 3.71Å; D196-R339 IonicContact OD1-NH1 3.98Å; D196-R339 PolarHBondContact OD1-NH1 3.43Å; D196-R339 IonicContact OD2-NH1 2.81Å; D196-R339 PolarHBondContact OD2-NH1 3Å; Q263-R339 PolarHBondContact O-NH2 2.96Å; S266-R339 VanDerWaalsContact CB-CZ 3.44Å; S266-R339 VanDerWaalsContact CB-NH1 3.26Å; S266-R339 PolarHBondContact OG-NH1 3.05Å; S337-R339 PolarHBondContact O-N 3.43Å; S337-R339 VanDerWaalsContact O-N 3.09Å; S337-R339 PolarHBondContact OG-N 3.28Å; R339-I341 VanDerWaalsContact C-N 3.32Å
340E89.7Confident88.6Confident135 Ų13598.3 Ų98.363%0.63147%0.473SS*.G310 helixtrans-88.3-3.3178.6-63.2172.9175.400112.4S336 S337 L338 N342S336-E340 WeakPolarHBondContact CB-OE2 3.35Å; S337-E340 WeakPolarHBondContact O-CB 3.39Å; S337-E340 PolarHBondContact O-N 3.31Å; L338-E340 PolarHBondContact O-N 3.49Å; E340-N342 PolarHBondContact O-N 3.4Å
341I88Confident88.8Confident53 Ų5399.6 Ų99.627%0.27248%0.479SS..  trans-71.9117.2176.8-59.7177.3000108.6Y333 L338 R339 I343Y333-I341 HydrophobicContact CD1-CD1 4.09Å; Y333-I341 HydrophobicContact CD1-CG1 3.83Å; Y333-I341 HydrophobicContact CE1-CG1 4.46Å; Y333-I341 HydrophobicContact CE1-CG2 4.41Å; Y333-I341 HydrophobicContact CG-CD1 4.16Å; Y333-I341 HydrophobicContact CG-CG1 4.4Å; L338-I341 HydrophobicContact CB-CD1 4.29Å; L338-I341 HydrophobicContact CD2-CD1 3.64Å; L338-I341 WeakPolarHBondContact O-CB 3.26Å; L338-I341 WeakPolarHBondContact O-CG1 3.47Å; L338-I341 PolarHBondContact O-N 3.33Å; R339-I341 VanDerWaalsContact C-N 3.32Å; I341-I343 HydrophobicContact CG2-CG1 4.49Å; I341-I343 PolarHBondContact O-N 2.9Å
342N85.9Confident89.2Confident163 Ų16398.1 Ų98.187%0.87247%0.472SS*.  trans-71.3112.4172.2-70.1-44.1000109.5E340E340-N342 PolarHBondContact O-N 3.4Å
343I86.7Confident89.8Confident92 Ų9297 Ų9747%0.47247%0.467SS..  trans-96.3124.3174.2-54.8178.2000107.4I341 T347 K348 L351I341-I343 HydrophobicContact CG2-CG1 4.49Å; I341-I343 PolarHBondContact O-N 2.9Å; I343-T347 HydrophobicContact CG2-CG2 3.53Å; I343-K348 HydrophobicContact CG2-CB 4.16Å; I343-L351 HydrophobicContact CD1-CD1 4.27Å
344D93Very high90.4Very high85 Ų8596 Ų9646%0.45547%0.471SS..  trans-66.8161.3173.265.882.9000111.4E346 T347 K348D344-E346 VanDerWaalsContact C-N 3.29Å; D344-E346 PolarHBondContact O-N 3.35Å; D344-E346 WeakPolarHBondContact OD1-CB 3.48Å; D344-E346 PolarHBondContact OD1-N 3.23Å; D344-T347 PolarHBondContact O-N 3.09Å; D344-T347 PolarHBondContact OD1-N 3.46Å; D344-T347 PolarHBondContact OD1-OG1 3.34Å; D344-T347 WeakPolarHBondContact OD2-CB 3.39Å; D344-T347 PolarHBondContact OD2-OG1 3.24Å; D344-K348 PolarHBondContact O-N 3.19Å
345T94.7Very high91Very high102 Ų102100.3 Ų100.363%0.62649%0.489SS*.Hα-helixtrans-59-38.6-175.5-51.90000112.7K348 E349T345-K348 PolarHBondContact O-N 2.96Å; T345-E349 HydrophobicContact CG2-CG 4.44Å; T345-E349 WeakPolarHBondContact O-CG 3.47Å; T345-E349 PolarHBondContact O-N 2.71Å
346E95Very high91.5Very high156 Ų15697 Ų9773%0.72948%0.475SS*.Hα-helixtrans-66.4-46.7-178.8-178.4-176.8173.900110.8D344 K348 E349 K350D344-E346 VanDerWaalsContact C-N 3.29Å; D344-E346 PolarHBondContact O-N 3.35Å; D344-E346 WeakPolarHBondContact OD1-CB 3.48Å; D344-E346 PolarHBondContact OD1-N 3.23Å; E346-K348 VanDerWaalsContact C-N 3.31Å; E346-K348 PolarHBondContact O-N 3.24Å; E346-E349 PolarHBondContact O-N 2.91Å; E346-K350 WeakPolarHBondContact O-CB 3.14Å; E346-K350 PolarHBondContact O-N 3.16Å
347T92.3Very high91.8Very high60 Ų6098.8 Ų98.837%0.36848%0.481SS..Hα-helixtrans-61.5-41.3176-60.10000111I343 D344 K350 L351I343-T347 HydrophobicContact CG2-CG2 3.53Å; D344-T347 PolarHBondContact O-N 3.09Å; D344-T347 PolarHBondContact OD1-N 3.46Å; D344-T347 PolarHBondContact OD1-OG1 3.34Å; D344-T347 WeakPolarHBondContact OD2-CB 3.39Å; D344-T347 PolarHBondContact OD2-OG1 3.24Å; T347-K350 PolarHBondContact O-N 3.48Å; T347-L351 HydrophobicContact CG2-CD1 4.28Å; T347-L351 WeakPolarHBondContact O-CG 3.42Å; T347-L351 PolarHBondContact O-N 3.35Å
348K92.6Very high91.5Very high124 Ų124100.3 Ų100.354%0.53949%0.486SS..Hα-helixtrans-62.1-49.2176.8-176.2179.4177.5-178.10112I343 D344 T345 E346 K350 L351 D352I343-K348 HydrophobicContact CG2-CB 4.16Å; D344-K348 PolarHBondContact O-N 3.19Å; T345-K348 PolarHBondContact O-N 2.96Å; E346-K348 VanDerWaalsContact C-N 3.31Å; E346-K348 PolarHBondContact O-N 3.24Å; K348-K350 VanDerWaalsContact C-N 3.26Å; K348-K350 PolarHBondContact O-N 2.79Å; K348-L351 PolarHBondContact O-N 3.17Å; K348-L351 VanDerWaalsContact O-N 3.17Å; K348-D352 PolarHBondContact O-N 3.44Å
349E94.9Very high91.2Very high110 Ų110100.3 Ų100.351%0.51449%0.486SS..Hα-helixtrans-61-36.6177.7-74.5176.5-176.100112.2T345 E346 R353T345-E349 HydrophobicContact CG2-CG 4.44Å; T345-E349 WeakPolarHBondContact O-CG 3.47Å; T345-E349 PolarHBondContact O-N 2.71Å; E346-E349 PolarHBondContact O-N 2.91Å; E349-R353 VanDerWaalsContact O-CB 3.31Å; E349-R353 WeakPolarHBondContact O-CB 3.32Å; E349-R353 PolarHBondContact O-N 3.22Å
350K94.3Very high91Very high145 Ų145101.8 Ų101.863%0.6350%0.497SS*.Hα-helixtrans-64.5-45174.6-174.8179.2178-178.10111.6E346 T347 K348 R353 V354E346-K350 WeakPolarHBondContact O-CB 3.14Å; E346-K350 PolarHBondContact O-N 3.16Å; T347-K350 PolarHBondContact O-N 3.48Å; K348-K350 VanDerWaalsContact C-N 3.26Å; K348-K350 PolarHBondContact O-N 2.79Å; K350-R353 PolarHBondContact O-N 3.34Å; K350-V354 WeakPolarHBondContact O-CG2 3.41Å; K350-V354 PolarHBondContact O-N 2.91Å
351L91.4Very high90Very high95 Ų95100.2 Ų100.250%0.49750%0.499SS..Hα-helixtrans-64-44177.3-70.3171.6000111.8I343 T347 K348 R353 V354 K355I343-L351 HydrophobicContact CD1-CD1 4.27Å; T347-L351 HydrophobicContact CG2-CD1 4.28Å; T347-L351 WeakPolarHBondContact O-CG 3.42Å; T347-L351 PolarHBondContact O-N 3.35Å; K348-L351 PolarHBondContact O-N 3.17Å; K348-L351 VanDerWaalsContact O-N 3.17Å; L351-R353 VanDerWaalsContact C-N 3.29Å; L351-R353 PolarHBondContact O-N 3.2Å; L351-V354 PolarHBondContact O-N 3.44Å; L351-K355 PolarHBondContact O-N 2.87Å
352D92.3Very high88.5Confident94 Ų94103.6 Ų103.650%0.50352%0.516SS..Hα-helixtrans-61.7-39.7177.1-72.2-22.7000111K348 K356K348-D352 PolarHBondContact O-N 3.44Å; D352-K356 WeakPolarHBondContact O-CB 3.44Å; D352-K356 PolarHBondContact O-N 3.13Å
353R93.4Very high88.6Confident157 Ų157100.6 Ų100.659%0.59250%0.498SS*.Hα-helixtrans-65.8-47.2174.8-169.4-176.4-50.3-170.64.3112.4E349 K350 L351 K355 K356 D357E349-R353 VanDerWaalsContact O-CB 3.31Å; E349-R353 WeakPolarHBondContact O-CB 3.32Å; E349-R353 PolarHBondContact O-N 3.22Å; K350-R353 PolarHBondContact O-N 3.34Å; L351-R353 VanDerWaalsContact C-N 3.29Å; L351-R353 PolarHBondContact O-N 3.2Å; R353-K355 VanDerWaalsContact C-N 3.28Å; R353-K355 PolarHBondContact O-N 2.92Å; R353-K356 PolarHBondContact O-N 3.03Å; R353-K356 VanDerWaalsContact O-N 3.13Å; R353-D357 WeakPolarHBondContact O-CB 3.39Å; R353-D357 PolarHBondContact O-N 3.37Å
354V91.1Very high88.7Confident78 Ų78101.1 Ų101.147%0.47350%0.499SS..Hα-helixtrans-57.6-44.3177.4167.70000110.9K350 L351 Y358K350-V354 WeakPolarHBondContact O-CG2 3.41Å; K350-V354 PolarHBondContact O-N 2.91Å; L351-V354 PolarHBondContact O-N 3.44Å; V354-Y358 WeakPolarHBondContact O-CB 3.43Å; V354-Y358 PolarHBondContact O-N 3.23Å
355K92Very high88.5Confident94 Ų94101.9 Ų101.941%0.40950%0.502SS..Hα-helixtrans-62.1-46.7175.9-178.9178.1177.9-174.30111.4F313 L351 R353 Y358 L359F313-K355 HydrophobicContact CD1-CG 4.26Å; F313-K355 HydrophobicContact CE1-CB 4.23Å; F313-K355 HydrophobicContact CE1-CD 3.9Å; F313-K355 HydrophobicContact CE1-CG 3.74Å; F313-K355 HydrophobicContact CE2-CB 4.31Å; F313-K355 HydrophobicContact CE2-CG 4.37Å; F313-K355 HydrophobicContact CZ-CB 3.8Å; F313-K355 HydrophobicContact CZ-CD 4.33Å; F313-K355 HydrophobicContact CZ-CG 3.8Å; L351-K355 PolarHBondContact O-N 2.87Å; R353-K355 VanDerWaalsContact C-N 3.28Å; R353-K355 PolarHBondContact O-N 2.92Å; K355-Y358 PolarHBondContact O-N 2.97Å; K355-L359 HydrophobicContact CG-CD1 4.19Å; K355-L359 WeakPolarHBondContact O-CG 3.48Å; K355-L359 PolarHBondContact O-N 3.14Å; K355-L359 VanDerWaalsContact O-N 3.09Å
356K92.1Very high88.1Confident112 Ų112101.9 Ų101.949%0.48749%0.494SS..Hα-helixtrans-59.9-50.5178.7-176.7-175.7174.4-172.30111.3D352 R353 Y358 L359 E360D352-K356 WeakPolarHBondContact O-CB 3.44Å; D352-K356 PolarHBondContact O-N 3.13Å; R353-K356 PolarHBondContact O-N 3.03Å; R353-K356 VanDerWaalsContact O-N 3.13Å; K356-Y358 VanDerWaalsContact C-N 3.28Å; K356-Y358 PolarHBondContact O-N 2.95Å; K356-L359 PolarHBondContact O-N 3.33Å; K356-L359 VanDerWaalsContact O-N 3.14Å; K356-E360 WeakPolarHBondContact CE-OE1 3.46Å; K356-E360 VanDerWaalsContact CE-OE2 3.3Å; K356-E360 WeakPolarHBondContact CE-OE2 3.49Å; K356-E360 HydrophobicContact CG-CG 4.42Å; K356-E360 IonicContact NZ-OE1 3.8Å; K356-E360 WeakPolarHBondContact O-CB 3.46Å; K356-E360 WeakPolarHBondContact O-CG 3.46Å; K356-E360 PolarHBondContact O-N 3.39Å
357D90.8Very high87.7Confident74 Ų7498.6 Ų98.640%0.39648%0.48SS..Hα-helixtrans-59.5-40.8179.9-65.9-9.2000110.5R353 L359 E360 C361R353-D357 WeakPolarHBondContact O-CB 3.39Å; R353-D357 PolarHBondContact O-N 3.37Å; D357-L359 PolarHBondContact O-N 3.32Å; D357-E360 PolarHBondContact O-N 3.15Å; D357-C361 WeakPolarHBondContact O-CB 3.48Å; D357-C361 PolarHBondContact O-N 2.77Å; D357-C361 PolarHBondContact O-SG 3.5Å; D357-C361 VanDerWaalsContact O-SG 3.4Å
358Y88.2Confident87.4Confident42 Ų42101.1 Ų101.117%0.16549%0.487CS..Hα-helixtrans-60.9-45.2175.6-173.1-79.8000112.5L312 F313 E316 V354 K355 K356 E360 M362L312-Y358 WeakPolarHBondContact CB-OH 3.34Å; F313-Y358 HydrophobicContact CB-CD1 3.72Å; F313-Y358 HydrophobicContact CB-CE1 3.52Å; F313-Y358 AromaticContact CD2-CD1 3.66Å; F313-Y358 HydrophobicContact CD2-CD1 3.66Å; F313-Y358 HydrophobicContact CD2-CD2 4Å; F313-Y358 HydrophobicContact CD2-CE1 4.06Å; F313-Y358 HydrophobicContact CD2-CE2 4.35Å; F313-Y358 AromaticContact CD2-CG 3.63Å; F313-Y358 HydrophobicContact CD2-CG 3.63Å; F313-Y358 HydrophobicContact CE2-CG 4.35Å; F313-Y358 HydrophobicContact CG-CD1 4.09Å; F313-Y358 HydrophobicContact CG-CE1 4.29Å; F313-Y358 HydrophobicContact CG-CG 4.49Å; E316-Y358 PolarHBondContact OE1-OH 3.18Å; E316-Y358 WeakPolarHBondContact OE2-CE2 3.44Å; E316-Y358 PolarHBondContact OE2-OH 3.45Å; V354-Y358 WeakPolarHBondContact O-CB 3.43Å; V354-Y358 PolarHBondContact O-N 3.23Å; K355-Y358 PolarHBondContact O-N 2.97Å; K356-Y358 VanDerWaalsContact C-N 3.28Å; K356-Y358 PolarHBondContact O-N 2.95Å; Y358-E360 VanDerWaalsContact C-N 3.29Å; Y358-E360 PolarHBondContact O-N 3.41Å; Y358-M362 HydrophobicContact CD1-CE 4.22Å; Y358-M362 HydrophobicContact CE1-CE 3.44Å; Y358-M362 VanDerWaalsContact CE1-CE 3.44Å; Y358-M362 HydrophobicContact CE2-CE 3.97Å; Y358-M362 WeakPolarHBondContact OH-CE 3.27Å
359L87.3Confident87Confident43 Ų4399.5 Ų99.523%0.22548%0.483CS..Hα-helixtrans-70.7-26.5-179.6-63.8176.2000112.3K309 E310 K355 K356 D357K309-L359 HydrophobicContact CB-CD2 3.96Å; K309-L359 WeakPolarHBondContact CD-O 3.47Å; E310-L359 HydrophobicContact CB-CD2 4.47Å; E310-L359 HydrophobicContact CG-CD1 4.37Å; E310-L359 HydrophobicContact CG-CD2 3.86Å; K355-L359 HydrophobicContact CG-CD1 4.19Å; K355-L359 WeakPolarHBondContact O-CG 3.48Å; K355-L359 PolarHBondContact O-N 3.14Å; K355-L359 VanDerWaalsContact O-N 3.09Å; K356-L359 PolarHBondContact O-N 3.33Å; K356-L359 VanDerWaalsContact O-N 3.14Å; D357-L359 PolarHBondContact O-N 3.32Å
360E84.7Confident86.4Confident123 Ų12398.7 Ų98.758%0.57548%0.481SS*.Hα-helixtrans-92.4-25.3-179.3-69178.9177.800114.1K356 D357 Y358K356-E360 WeakPolarHBondContact CE-OE1 3.46Å; K356-E360 VanDerWaalsContact CE-OE2 3.3Å; K356-E360 WeakPolarHBondContact CE-OE2 3.49Å; K356-E360 HydrophobicContact CG-CG 4.42Å; K356-E360 IonicContact NZ-OE1 3.8Å; K356-E360 WeakPolarHBondContact O-CB 3.46Å; K356-E360 WeakPolarHBondContact O-CG 3.46Å; K356-E360 PolarHBondContact O-N 3.39Å; D357-E360 PolarHBondContact O-N 3.15Å; Y358-E360 VanDerWaalsContact C-N 3.29Å; Y358-E360 PolarHBondContact O-N 3.41Å
361C69.3Low85.8Confident102 Ų10294.8 Ų94.869%0.68947%0.468SS*.  trans-108.312.3-167.5-66.20000117.7D357D357-C361 WeakPolarHBondContact O-CB 3.48Å; D357-C361 PolarHBondContact O-N 2.77Å; D357-C361 PolarHBondContact O-SG 3.5Å; D357-C361 VanDerWaalsContact O-SG 3.4Å
362M56.9Low85.3Confident124 Ų12494.8 Ų94.861%0.61147%0.466SS*.  trans-100.70166.8-75-160.2-67.700112.9K309 L312 Y358K309-M362 WeakPolarHBondContact CE-O 3.34Å; K309-M362 PolarHBondContact NZ-O 2.81Å; L312-M362 HydrophobicContact CD1-CE 4.45Å; Y358-M362 HydrophobicContact CD1-CE 4.22Å; Y358-M362 HydrophobicContact CE1-CE 3.44Å; Y358-M362 VanDerWaalsContact CE1-CE 3.44Å; Y358-M362 HydrophobicContact CE2-CE 3.97Å; Y358-M362 WeakPolarHBondContact OH-CE 3.27Å

Retrieved 362 of 362 residues in 221.9 ms (Link to these results)

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