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Bacterial non-heme ferritin

Iron-storage protein.

AlphaFold DB (Q2FWZ8), UniProt , Accession Q99SZ3, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene ftnA, Length 166 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
1M86.8Confident97.2Very high203 Ų20361.2 Ų61.2100%131%0.307SS*.  0132.40-171.4175.1-17400106.2S3M1-S3 PolarHBondContact O-N 3.32Å
2L97.1Very high97.3Very high13 Ų1360.8 Ų60.87%0.06831%0.307CS..  trans-58.6136177.3-64.2171.9000109.1L6 L7 L10 R64 A66L2-L6 HydrophobicContact CD2-CD2 3.77Å; L2-L6 HydrophobicContact CD2-CG 4.16Å; L2-L7 HydrophobicContact CB-CB 4.16Å; L2-L7 HydrophobicContact CD1-CD1 4.07Å; L2-L10 HydrophobicContact CD1-CD1 3.82Å; L2-L10 HydrophobicContact CD2-CD1 3.98Å; L2-R64 HydrophobicContact CD1-CB 3.95Å; L2-R64 HydrophobicContact CG-CB 4.04Å; L2-A66 HydrophobicContact CD1-CB 4.07Å
3S97.9Very high97.5Very high39 Ų3956.3 Ų56.327%0.27328%0.284SS..  trans-64.1158169.880.70000109.3M1 N5 L6 L7 D111M1-S3 PolarHBondContact O-N 3.32Å; S3-N5 PolarHBondContact O-N 3.42Å; S3-N5 PolarHBondContact OG-N 2.9Å; S3-L6 PolarHBondContact O-N 3.31Å; S3-L6 WeakPolarHBondContact OG-CB 3.37Å; S3-L6 PolarHBondContact OG-N 3.12Å; S3-L7 WeakPolarHBondContact O-CB 3.3Å; S3-L7 PolarHBondContact O-N 2.81Å; S3-D111 WeakPolarHBondContact CB-OD2 3.42Å; S3-D111 PolarHBondContact OG-OD2 2.89Å
4K97.9Very high97.6Very high176 Ų17652.3 Ų52.377%0.76526%0.264SS*.Hα-helixtrans-56.2-41.8176.2-176.9-178.6174.7-174.70111.4E8K4-E8 WeakPolarHBondContact O-CB 3.36Å; K4-E8 PolarHBondContact O-N 3.4Å
5N98.1Very high97.6Very high84 Ų8450 Ų5045%0.44925%0.253SS..Hα-helixtrans-66-45.5-179.9-173.145.3000111.7S3 E8 A9 I107S3-N5 PolarHBondContact O-N 3.42Å; S3-N5 PolarHBondContact OG-N 2.9Å; N5-E8 PolarHBondContact O-N 3.42Å; N5-A9 WeakPolarHBondContact O-CB 3.43Å; N5-A9 PolarHBondContact O-N 3.35Å; N5-I107 WeakPolarHBondContact ND2-CG2 3.41Å
6L98.4Very high97.7Very high0 Ų048.3 Ų48.30%024%0.243CC..Hα-helixtrans-67.1-40.5179.2-174.958.3000112L2 S3 A9 L10 L104 I107 A108 D113 T116L2-L6 HydrophobicContact CD2-CD2 3.77Å; L2-L6 HydrophobicContact CD2-CG 4.16Å; S3-L6 PolarHBondContact O-N 3.31Å; S3-L6 WeakPolarHBondContact OG-CB 3.37Å; S3-L6 PolarHBondContact OG-N 3.12Å; L6-A9 PolarHBondContact O-N 2.84Å; L6-L10 HydrophobicContact CG-CD1 4.16Å; L6-L10 WeakPolarHBondContact O-CB 3.36Å; L6-L10 VanDerWaalsContact O-CG 3.28Å; L6-L10 WeakPolarHBondContact O-CG 3.41Å; L6-L10 PolarHBondContact O-N 3.39Å; L6-L104 HydrophobicContact CD1-CD2 4.01Å; L6-I107 HydrophobicContact CB-CG2 4.06Å; L6-I107 HydrophobicContact CD1-CB 4.33Å; L6-I107 HydrophobicContact CD1-CG2 3.93Å; L6-A108 HydrophobicContact CD1-CB 4.19Å; L6-A108 HydrophobicContact CD2-CB 4.49Å; L6-D113 HydrophobicContact CD2-CB 3.84Å; L6-T116 HydrophobicContact CD1-CG2 4.11Å; L6-T116 HydrophobicContact CD2-CG2 4.15Å; L6-T116 HydrophobicContact CG-CG2 4.46Å
7L98.7Very high97.8Very high40 Ų4045.4 Ų45.421%0.20923%0.229CC..Hα-helixtrans-62.7-42.7174.4176.658.9000111.9L2 S3 L10 N11 I61 A66L2-L7 HydrophobicContact CB-CB 4.16Å; L2-L7 HydrophobicContact CD1-CD1 4.07Å; S3-L7 WeakPolarHBondContact O-CB 3.3Å; S3-L7 PolarHBondContact O-N 2.81Å; L7-L10 PolarHBondContact O-N 3.23Å; L7-N11 WeakPolarHBondContact O-CB 3.38Å; L7-N11 PolarHBondContact O-N 3.2Å; L7-N11 PolarHBondContact O-ND2 3.42Å; L7-I61 HydrophobicContact CD1-CG2 3.59Å; L7-A66 HydrophobicContact CD1-CB 3.63Å; L7-A66 HydrophobicContact CD2-CB 3.94Å; L7-A66 HydrophobicContact CG-CB 4.41Å
8E98.5Very high97.8Very high98 Ų9844.7 Ų44.746%0.45822%0.223SC..Hα-helixtrans-63.2-43.3177-177.8168-168.100111.7K4 N5 N11 D12K4-E8 WeakPolarHBondContact O-CB 3.36Å; K4-E8 PolarHBondContact O-N 3.4Å; N5-E8 PolarHBondContact O-N 3.42Å; E8-N11 PolarHBondContact O-N 2.88Å; E8-D12 WeakPolarHBondContact O-CB 3.2Å; E8-D12 PolarHBondContact O-N 3.39Å
9A98.6Very high97.8Very high17 Ų1745.1 Ų45.114%0.1422%0.224CC..Hα-helixtrans-65.3-39.9176.200000112.8N5 L6 D12 Q13 L104 I107N5-A9 WeakPolarHBondContact O-CB 3.43Å; N5-A9 PolarHBondContact O-N 3.35Å; L6-A9 PolarHBondContact O-N 2.84Å; A9-D12 PolarHBondContact O-N 2.99Å; A9-Q13 PolarHBondContact O-N 3.42Å; A9-L104 HydrophobicContact CB-CD2 3.77Å; A9-L104 HydrophobicContact CB-CG 4.23Å; A9-I107 HydrophobicContact CB-CD1 3.82Å
10L98.9Very high97.9Very high0 Ų042.9 Ų42.90%021%0.212CC..Hα-helixtrans-65.1-43.4175.8-75.3165.9000111.6L2 L6 L7 D12 Q13 M14 I57 Y60 I61 L104 T116 F119L2-L10 HydrophobicContact CD1-CD1 3.82Å; L2-L10 HydrophobicContact CD2-CD1 3.98Å; L6-L10 HydrophobicContact CG-CD1 4.16Å; L6-L10 WeakPolarHBondContact O-CB 3.36Å; L6-L10 VanDerWaalsContact O-CG 3.28Å; L6-L10 WeakPolarHBondContact O-CG 3.41Å; L6-L10 PolarHBondContact O-N 3.39Å; L7-L10 PolarHBondContact O-N 3.23Å; L10-D12 VanDerWaalsContact C-N 3.34Å; L10-Q13 PolarHBondContact O-N 2.94Å; L10-M14 WeakPolarHBondContact O-CB 3.34Å; L10-M14 PolarHBondContact O-N 3.43Å; L10-I57 HydrophobicContact CB-CG2 4.37Å; L10-I57 HydrophobicContact CD2-CG2 4.2Å; L10-I57 WeakPolarHBondContact O-CG2 3.25Å; L10-Y60 HydrophobicContact CD1-CD1 4.26Å; L10-Y60 HydrophobicContact CD1-CE1 4.06Å; L10-Y60 HydrophobicContact CD2-CD1 4.42Å; L10-I61 HydrophobicContact CB-CD1 3.82Å; L10-I61 HydrophobicContact CB-CG1 3.9Å; L10-I61 HydrophobicContact CD1-CG1 4.33Å; L10-L104 HydrophobicContact CD2-CD2 3.77Å; L10-L104 HydrophobicContact CG-CD2 3.84Å; L10-T116 HydrophobicContact CD1-CG2 4.49Å; L10-T116 HydrophobicContact CD2-CG2 4.44Å; L10-F119 HydrophobicContact CD2-CE1 4.45Å
11N98.8Very high97.9Very high3 Ų340.8 Ų40.82%0.01620%0.202CC..Hα-helixtrans-64.2-38.6174.7-83.7-46.3000112.1L7 E8 N15 I61 A68 E69L7-N11 WeakPolarHBondContact O-CB 3.38Å; L7-N11 PolarHBondContact O-N 3.2Å; L7-N11 PolarHBondContact O-ND2 3.42Å; E8-N11 PolarHBondContact O-N 2.88Å; N11-N15 WeakPolarHBondContact O-CB 3.15Å; N11-N15 PolarHBondContact O-N 2.7Å; N11-I61 WeakPolarHBondContact OD1-CD1 3.47Å; N11-A68 WeakPolarHBondContact OD1-CA 3.37Å; N11-E69 PolarHBondContact OD1-N 3.45Å
12D98.5Very high98.5Very high57 Ų5735.3 Ų35.331%0.30517%0.174SC..Hα-helixtrans-63.9-45175.8-165.367.5000111.6E8 A9 L10 N15 H16 R71 R100E8-D12 WeakPolarHBondContact O-CB 3.2Å; E8-D12 PolarHBondContact O-N 3.39Å; A9-D12 PolarHBondContact O-N 2.99Å; L10-D12 VanDerWaalsContact C-N 3.34Å; D12-N15 PolarHBondContact O-N 3.31Å; D12-H16 WeakPolarHBondContact O-CB 3.47Å; D12-H16 PolarHBondContact O-N 2.91Å; D12-R71 IonicContact OD1-NH1 3.31Å; D12-R71 PolarHBondContact OD1-NH1 3.09Å; D12-R100 IonicContact OD2-CZ 3.3Å; D12-R100 IonicContact OD2-NH1 3.85Å; D12-R100 PolarHBondContact OD2-NH1 3.06Å; D12-R100 IonicContact OD2-NH2 3.78Å
13Q98.9Very high98.6Very high2 Ų235 Ų351%0.00917%0.173CC..Hα-helixtrans-66.3-45.7177.1-174.360.62300112.3A9 L10 N15 H16 E17 I57 F101 L104A9-Q13 PolarHBondContact O-N 3.42Å; L10-Q13 PolarHBondContact O-N 2.94Å; Q13-N15 PolarHBondContact O-N 3.46Å; Q13-H16 CarbonylContact O-C 3.57Å; Q13-H16 WeakPolarHBondContact O-CA 3.37Å; Q13-H16 VanDerWaalsContact O-CB 3.29Å; Q13-H16 WeakPolarHBondContact O-CB 3.33Å; Q13-H16 PolarHBondContact O-N 3.28Å; Q13-E17 VanDerWaalsContact NE2-CD 3.35Å; Q13-E17 PolarHBondContact NE2-OE1 2.84Å; Q13-E17 WeakPolarHBondContact O-CG 3.3Å; Q13-E17 PolarHBondContact O-N 2.53Å; Q13-I57 HydrophobicContact CB-CD1 4.24Å; Q13-I57 HydrophobicContact CG-CD1 3.68Å; Q13-F101 HydrophobicContact CG-CD1 4.38Å; Q13-F101 HydrophobicContact CG-CE1 3.77Å; Q13-F101 HydrophobicContact CG-CE2 4.49Å; Q13-F101 HydrophobicContact CG-CZ 3.82Å; Q13-L104 HydrophobicContact CB-CD1 3.44Å; Q13-L104 VanDerWaalsContact CB-CD1 3.44Å; Q13-L104 HydrophobicContact CG-CD1 3.68Å
14M98.8Very high98.6Very high0 Ų033.1 Ų33.10%016%0.16CC..Hα-helixtrans-50.5-47.8173.2179.5-17171.500111.1L10 H16 E17 Y18 I57 Y58 I61 A68 E69 F70L10-M14 WeakPolarHBondContact O-CB 3.34Å; L10-M14 PolarHBondContact O-N 3.43Å; M14-H16 VanDerWaalsContact C-N 3.28Å; M14-H16 PolarHBondContact O-N 2.79Å; M14-E17 PolarHBondContact O-N 3.15Å; M14-Y18 HydrophobicContact CG-CD2 4.28Å; M14-Y18 HydrophobicContact CG-CE2 3.87Å; M14-Y18 WeakPolarHBondContact O-CD2 3.32Å; M14-Y18 PolarHBondContact O-N 2.83Å; M14-I57 HydrophobicContact CB-CB 4.05Å; M14-I57 HydrophobicContact CB-CG2 3.75Å; M14-I57 HydrophobicContact CG-CB 4.4Å; M14-I57 HydrophobicContact CG-CG2 4.47Å; M14-Y58 HydrophobicContact SD-CD2 4.16Å; M14-Y58 HydrophobicContact SD-CG 4.45Å; M14-I61 HydrophobicContact SD-CD1 4.36Å; M14-A68 HydrophobicContact CE-CB 4.32Å; M14-A68 HydrophobicContact SD-CB 3.99Å; M14-E69 WeakPolarHBondContact CE-O 3.2Å; M14-F70 HydrophobicContact CE-CD1 4.49Å; M14-F70 HydrophobicContact CE-CD2 4.26Å; M14-F70 HydrophobicContact CE-CE2 4.3Å; M14-F70 HydrophobicContact CE-CG 4.36Å; M14-F70 HydrophobicContact CE-CZ 4.44Å; M14-F70 HydrophobicContact SD-CZ 4.44Å
15N98.6Very high98.6Very high18 Ų1828.1 Ų28.110%0.09614%0.141CC..Hα-helixtrans-68.2-29178.6-163.984.9000112.5N11 D12 Q13 F19 R71 A72N11-N15 WeakPolarHBondContact O-CB 3.15Å; N11-N15 PolarHBondContact O-N 2.7Å; D12-N15 PolarHBondContact O-N 3.31Å; Q13-N15 PolarHBondContact O-N 3.46Å; N15-F19 PolarHBondContact O-N 3.36Å; N15-R71 WeakPolarHBondContact OD1-CA 3.47Å; N15-R71 PolarHBondContact OD1-N 3.42Å; N15-R71 PolarHBondContact OD1-O 3.35Å; N15-A72 PolarHBondContact ND2-O 2.92Å
16H98.7Very high98.7Very high22 Ų2224.8 Ų24.810%0.10213%0.125CC..Hα-helixtrans-69.2-39.4174.7-167.566.4000112.1D12 Q13 M14 Y18 F19 A20 R100D12-H16 WeakPolarHBondContact O-CB 3.47Å; D12-H16 PolarHBondContact O-N 2.91Å; Q13-H16 CarbonylContact O-C 3.57Å; Q13-H16 WeakPolarHBondContact O-CA 3.37Å; Q13-H16 VanDerWaalsContact O-CB 3.29Å; Q13-H16 WeakPolarHBondContact O-CB 3.33Å; Q13-H16 PolarHBondContact O-N 3.28Å; M14-H16 VanDerWaalsContact C-N 3.28Å; M14-H16 PolarHBondContact O-N 2.79Å; H16-Y18 VanDerWaalsContact C-N 3.3Å; H16-Y18 PolarHBondContact O-N 3.27Å; H16-F19 CarbonylContact O-C 3.53Å; H16-F19 WeakPolarHBondContact O-CA 3.47Å; H16-F19 VanDerWaalsContact O-CB 3.32Å; H16-F19 WeakPolarHBondContact O-CB 3.39Å; H16-F19 PolarHBondContact O-N 2.98Å; H16-A20 PolarHBondContact O-N 3.3Å; H16-R100 VanDerWaalsContact CD2-CD 3.42Å; H16-R100 WeakPolarHBondContact CD2-CD 3.48Å
17E98.8Very high98.7Very high0 Ų025.2 Ų25.20%013%0.127CC..Hα-helixtrans-62.5-40.3173.9-47.4-52.6-177.100111.4Q13 M14 F19 A20 A21 E50 H53 I57 F101Q13-E17 VanDerWaalsContact NE2-CD 3.35Å; Q13-E17 PolarHBondContact NE2-OE1 2.84Å; Q13-E17 WeakPolarHBondContact O-CG 3.3Å; Q13-E17 PolarHBondContact O-N 2.53Å; M14-E17 PolarHBondContact O-N 3.15Å; E17-F19 VanDerWaalsContact C-N 3.28Å; E17-F19 PolarHBondContact O-N 2.97Å; E17-A20 WeakPolarHBondContact O-CB 3.49Å; E17-A20 PolarHBondContact O-N 3.01Å; E17-A21 PolarHBondContact O-N 3.5Å; E17-E50 WeakPolarHBondContact CB-O 3.38Å; E17-H53 HydrophobicContact CB-CB 4.15Å; E17-H53 HydrophobicContact CG-CB 3.86Å; E17-I57 HydrophobicContact CG-CD1 3.93Å; E17-F101 VanDerWaalsContact OE1-CE2 3.25Å; E17-F101 WeakPolarHBondContact OE1-CE2 3.44Å; E17-F101 WeakPolarHBondContact OE1-CZ 3.47Å
18Y98.7Very high98.7Very high32 Ų3223.3 Ų23.313%0.12512%0.117CC..Hα-helixtrans-65.2-32.7173.1-70.8-64000112.3M14 H16 H22 R51 Q55 F70M14-Y18 HydrophobicContact CG-CD2 4.28Å; M14-Y18 HydrophobicContact CG-CE2 3.87Å; M14-Y18 WeakPolarHBondContact O-CD2 3.32Å; M14-Y18 PolarHBondContact O-N 2.83Å; H16-Y18 VanDerWaalsContact C-N 3.3Å; H16-Y18 PolarHBondContact O-N 3.27Å; Y18-H22 PolarHBondContact O-N 3.4Å; Y18-H22 VanDerWaalsContact O-N 3.14Å; Y18-H22 PolarHBondContact O-ND1 3.47Å; Y18-R51 HydrophobicContact CD1-CG 4.26Å; Y18-R51 HydrophobicContact CE1-CB 4.37Å; Y18-R51 HydrophobicContact CE1-CG 4.3Å; Y18-Q55 PolarHBondContact OH-N 2.89Å; Y18-F70 HydrophobicContact CD2-CD1 4.3Å; Y18-F70 AromaticContact CD2-CE1 3.73Å; Y18-F70 HydrophobicContact CD2-CE1 3.73Å; Y18-F70 HydrophobicContact CE2-CD1 4.29Å; Y18-F70 AromaticContact CE2-CE1 3.33Å; Y18-F70 HydrophobicContact CE2-CE1 3.33Å; Y18-F70 AromaticContact CE2-CZ 3.88Å; Y18-F70 HydrophobicContact CE2-CZ 3.88Å; Y18-F70 AromaticContact CZ-CE1 3.84Å
19F98.5Very high98.7Very high53 Ų5321.4 Ų21.423%0.23212%0.118CC..Hα-helixtrans-66.1-45.4170.6167.8-98.1000111.9N15 H16 E17 A21 H22 A23 V73N15-F19 PolarHBondContact O-N 3.36Å; H16-F19 CarbonylContact O-C 3.53Å; H16-F19 WeakPolarHBondContact O-CA 3.47Å; H16-F19 VanDerWaalsContact O-CB 3.32Å; H16-F19 WeakPolarHBondContact O-CB 3.39Å; H16-F19 PolarHBondContact O-N 2.98Å; E17-F19 VanDerWaalsContact C-N 3.28Å; E17-F19 PolarHBondContact O-N 2.97Å; F19-A21 VanDerWaalsContact C-N 3.31Å; F19-A21 PolarHBondContact O-N 2.98Å; F19-H22 CarbonylContact O-C 3.59Å; F19-H22 WeakPolarHBondContact O-CA 3.42Å; F19-H22 WeakPolarHBondContact O-CB 3.3Å; F19-H22 PolarHBondContact O-N 2.91Å; F19-A23 PolarHBondContact O-N 3.22Å; F19-V73 HydrophobicContact CB-CG1 3.99Å; F19-V73 HydrophobicContact CD2-CG1 3.97Å; F19-V73 HydrophobicContact CG-CG1 4.5Å
20A98.7Very high98.7Very high0 Ų021.6 Ų21.60%012%0.115CC..Hα-helixtrans-55.7-46.9175.800000110.9H16 E17 H22 A23 Y24 E50H16-A20 PolarHBondContact O-N 3.3Å; E17-A20 WeakPolarHBondContact O-CB 3.49Å; E17-A20 PolarHBondContact O-N 3.01Å; A20-H22 VanDerWaalsContact C-N 3.3Å; A20-H22 PolarHBondContact O-N 3.33Å; A20-A23 WeakPolarHBondContact O-CB 3.35Å; A20-A23 PolarHBondContact O-N 3.42Å; A20-A23 VanDerWaalsContact O-N 3.1Å; A20-Y24 WeakPolarHBondContact O-CD2 2.97Å; A20-Y24 PolarHBondContact O-N 3.49Å; A20-E50 HydrophobicContact CB-CB 4.31Å; A20-E50 HydrophobicContact CB-CG 3.85Å
21A98.7Very high98.7Very high0 Ų021.6 Ų21.60%012%0.115CC..Hα-helixtrans-56.2-41.317300000113.2E17 F19 M25 A47 E50 R51E17-A21 PolarHBondContact O-N 3.5Å; F19-A21 VanDerWaalsContact C-N 3.31Å; F19-A21 PolarHBondContact O-N 2.98Å; A21-M25 WeakPolarHBondContact O-CG 3.46Å; A21-M25 PolarHBondContact O-N 3.46Å; A21-M25 VanDerWaalsContact O-N 3.09Å; A21-A47 WeakPolarHBondContact CB-O 3.42Å; A21-A47 WeakPolarHBondContact O-CB 3.25Å; A21-E50 HydrophobicContact CB-CB 3.73Å; A21-R51 HydrophobicContact CB-CG 3.7Å
22H98.4Very high98.7Very high87 Ų8725.7 Ų25.740%0.40314%0.137SC..Hα-helixtrans-69-38.2177.4-79.372.4000111.9Y18 F19 A20 M25 A26 V73Y18-H22 PolarHBondContact O-N 3.4Å; Y18-H22 VanDerWaalsContact O-N 3.14Å; Y18-H22 PolarHBondContact O-ND1 3.47Å; F19-H22 CarbonylContact O-C 3.59Å; F19-H22 WeakPolarHBondContact O-CA 3.42Å; F19-H22 WeakPolarHBondContact O-CB 3.3Å; F19-H22 PolarHBondContact O-N 2.91Å; A20-H22 VanDerWaalsContact C-N 3.3Å; A20-H22 PolarHBondContact O-N 3.33Å; H22-M25 PolarHBondContact O-N 3.15Å; H22-A26 PolarHBondContact O-N 3.09Å; H22-A26 VanDerWaalsContact O-N 3.11Å; H22-V73 HydrophobicContact CB-CG1 4.16Å
23A98.8Very high98.7Very high7 Ų730.1 Ų30.16%0.05815%0.153CC..Hα-helixtrans-63.6-43.4175.200000111.6F19 A20 M25 A26 M27 P76F19-A23 PolarHBondContact O-N 3.22Å; A20-A23 WeakPolarHBondContact O-CB 3.35Å; A20-A23 PolarHBondContact O-N 3.42Å; A20-A23 VanDerWaalsContact O-N 3.1Å; A23-M25 VanDerWaalsContact C-N 3.34Å; A23-M25 PolarHBondContact O-N 3.36Å; A23-A26 WeakPolarHBondContact O-CA 3.45Å; A23-A26 WeakPolarHBondContact O-CB 3.32Å; A23-A26 PolarHBondContact O-N 3.12Å; A23-M27 WeakPolarHBondContact O-CG 3.33Å; A23-M27 PolarHBondContact O-N 2.96Å; A23-P76 HydrophobicContact CB-CB 4Å
24Y98.9Very high98.6Very high0 Ų034.1 Ų34.10%017%0.172CC..Hα-helixtrans-63-37.5174.4-73.6-52000113.2A20 A26 M27 A28 F43 Q46 E50 S90 Q93 E94 F134A20-Y24 WeakPolarHBondContact O-CD2 2.97Å; A20-Y24 PolarHBondContact O-N 3.49Å; Y24-A26 VanDerWaalsContact C-N 3.28Å; Y24-A26 PolarHBondContact O-N 3.04Å; Y24-M27 HydrophobicContact CD1-SD 3.83Å; Y24-M27 HydrophobicContact CE1-SD 4.12Å; Y24-M27 PolarHBondContact O-N 2.85Å; Y24-A28 WeakPolarHBondContact O-CB 3.28Å; Y24-A28 PolarHBondContact O-N 2.61Å; Y24-F43 AromaticContact CD1-CD1 3.56Å; Y24-F43 HydrophobicContact CD1-CD1 3.56Å; Y24-F43 HydrophobicContact CD1-CE1 4.02Å; Y24-F43 HydrophobicContact CE1-CD1 4.08Å; Y24-F43 HydrophobicContact CE1-CE1 4.15Å; Y24-Q46 HydrophobicContact CD1-CB 4.33Å; Y24-Q46 HydrophobicContact CD1-CG 3.94Å; Y24-Q46 HydrophobicContact CD2-CB 4.17Å; Y24-Q46 HydrophobicContact CD2-CG 3.41Å; Y24-Q46 VanDerWaalsContact CD2-CG 3.41Å; Y24-Q46 HydrophobicContact CE1-CG 3.78Å; Y24-Q46 HydrophobicContact CE2-CB 4.44Å; Y24-Q46 HydrophobicContact CE2-CG 3.26Å; Y24-Q46 HydrophobicContact CG-CB 4.12Å; Y24-Q46 HydrophobicContact CG-CG 3.76Å; Y24-Q46 VanDerWaalsContact CZ-CG 3.45Å; Y24-E50 HydrophobicContact CD2-CG 3.61Å; Y24-E50 HydrophobicContact CE2-CG 3.65Å; Y24-E50 WeakPolarHBondContact CE2-OE1 3.29Å; Y24-S90 WeakPolarHBondContact CE1-OG 3.43Å; Y24-Q93 VanDerWaalsContact CZ-NE2 3.28Å; Y24-Q93 PolarHBondContact OH-NE2 2.9Å; Y24-E94 WeakPolarHBondContact CE2-OE1 3.45Å; Y24-E94 PolarHBondContact OH-OE1 3.18Å; Y24-F134 HydrophobicContact CE1-CE1 4.28Å; Y24-F134 AromaticContact CE1-CZ 3.75Å; Y24-F134 HydrophobicContact CE1-CZ 3.75Å; Y24-F134 AromaticContact CZ-CZ 3.7Å; Y24-F134 WeakPolarHBondContact OH-CE2 3.16Å; Y24-F134 WeakPolarHBondContact OH-CZ 3.4Å
25M98.8Very high98.5Very high71 Ų7138.3 Ų38.335%0.3520%0.202SC..Hα-helixtrans-62.7-34.7171.4-70.8-59.1-51.900112.7A21 H22 A23 A29 I44 A47A21-M25 WeakPolarHBondContact O-CG 3.46Å; A21-M25 PolarHBondContact O-N 3.46Å; A21-M25 VanDerWaalsContact O-N 3.09Å; H22-M25 PolarHBondContact O-N 3.15Å; A23-M25 VanDerWaalsContact C-N 3.34Å; A23-M25 PolarHBondContact O-N 3.36Å; M25-A29 WeakPolarHBondContact O-CB 3.39Å; M25-A29 PolarHBondContact O-N 3.26Å; M25-I44 HydrophobicContact CE-CG1 4.45Å; M25-I44 HydrophobicContact SD-CG1 4.39Å; M25-A47 HydrophobicContact CG-CB 3.9Å; M25-A47 HydrophobicContact SD-CB 3.81Å
26A98.7Very high98.4Very high14 Ų1440.5 Ų40.512%0.11621%0.209CC..Hα-helixtrans-70.9-36.9175.700000112.3H22 A23 Y24 A29 Y30 P76 I78H22-A26 PolarHBondContact O-N 3.09Å; H22-A26 VanDerWaalsContact O-N 3.11Å; A23-A26 WeakPolarHBondContact O-CA 3.45Å; A23-A26 WeakPolarHBondContact O-CB 3.32Å; A23-A26 PolarHBondContact O-N 3.12Å; Y24-A26 VanDerWaalsContact C-N 3.28Å; Y24-A26 PolarHBondContact O-N 3.04Å; A26-A29 PolarHBondContact O-N 3.02Å; A26-Y30 PolarHBondContact O-N 2.94Å; A26-P76 HydrophobicContact CB-CB 4.03Å; A26-P76 HydrophobicContact CB-CG 3.54Å; A26-I78 HydrophobicContact CB-CG2 4.47Å
27M98.9Very high98.4Very high8 Ų846.5 Ų46.54%0.03924%0.237CC..Hα-helixtrans-65.2-41.5172.1-65.8173.9-17300111.7A23 Y24 A29 Y30 C31 F43 F80 D89 S90A23-M27 WeakPolarHBondContact O-CG 3.33Å; A23-M27 PolarHBondContact O-N 2.96Å; Y24-M27 HydrophobicContact CD1-SD 3.83Å; Y24-M27 HydrophobicContact CE1-SD 4.12Å; Y24-M27 PolarHBondContact O-N 2.85Å; M27-A29 VanDerWaalsContact C-N 3.34Å; M27-A29 PolarHBondContact O-N 2.99Å; M27-Y30 WeakPolarHBondContact O-CB 3.46Å; M27-Y30 PolarHBondContact O-N 3.26Å; M27-C31 PolarHBondContact O-N 3.33Å; M27-C31 PolarHBondContact O-SG 3.16Å; M27-F43 HydrophobicContact CB-CD1 4.1Å; M27-F43 HydrophobicContact CB-CD2 3.88Å; M27-F43 HydrophobicContact CB-CE1 4.23Å; M27-F43 HydrophobicContact CB-CE2 4.03Å; M27-F43 HydrophobicContact CB-CG 3.92Å; M27-F43 HydrophobicContact CB-CZ 4.2Å; M27-F43 HydrophobicContact SD-CD1 4.21Å; M27-F43 HydrophobicContact SD-CE1 3.8Å; M27-F43 HydrophobicContact SD-CZ 4.17Å; M27-F80 HydrophobicContact CE-CE1 4.41Å; M27-F80 HydrophobicContact CG-CE1 4.1Å; M27-F80 HydrophobicContact CG-CE2 4.25Å; M27-F80 HydrophobicContact CG-CZ 3.62Å; M27-D89 HydrophobicContact CE-CB 3.95Å; M27-S90 PolarHBondContact SD-OG 3.07Å
28A98.8Very high98.4Very high1 Ų146.9 Ų46.91%0.00824%0.241CC..Hα-helixtrans-58.9-45.2172.400000111.8Y24 Y30 C31 D32 F43 I44Y24-A28 WeakPolarHBondContact O-CB 3.28Å; Y24-A28 PolarHBondContact O-N 2.61Å; A28-Y30 VanDerWaalsContact C-N 3.31Å; A28-Y30 PolarHBondContact O-N 2.69Å; A28-C31 WeakPolarHBondContact O-CA 3.44Å; A28-C31 WeakPolarHBondContact O-CB 3.1Å; A28-C31 PolarHBondContact O-N 2.87Å; A28-D32 PolarHBondContact O-N 2.94Å; A28-F43 HydrophobicContact CB-CB 3.81Å; A28-I44 HydrophobicContact CB-CD1 4.4Å; A28-I44 HydrophobicContact CB-CG1 3.76Å
29A98.7Very high98.4Very high57 Ų5745.3 Ų45.347%0.47124%0.235SC..Hα-helixtrans-62.8-36.3178.100000112.9M25 A26 M27 K33M25-A29 WeakPolarHBondContact O-CB 3.39Å; M25-A29 PolarHBondContact O-N 3.26Å; A26-A29 PolarHBondContact O-N 3.02Å; M27-A29 VanDerWaalsContact C-N 3.34Å; M27-A29 PolarHBondContact O-N 2.99Å; A29-K33 WeakPolarHBondContact O-CB 3.45Å; A29-K33 PolarHBondContact O-N 3.4Å; A29-K33 VanDerWaalsContact O-N 3.11Å
30Y98.7Very high98.4Very high22 Ų2242.9 Ų42.99%0.08622%0.224CC..Hα-helixtrans-62.1-45.7169.6165.2-96.3000111.5A26 M27 A28 D32 K33 E34 F80 S82 T86A26-Y30 PolarHBondContact O-N 2.94Å; M27-Y30 WeakPolarHBondContact O-CB 3.46Å; M27-Y30 PolarHBondContact O-N 3.26Å; A28-Y30 VanDerWaalsContact C-N 3.31Å; A28-Y30 PolarHBondContact O-N 2.69Å; Y30-D32 PolarHBondContact O-N 3.35Å; Y30-K33 WeakPolarHBondContact O-CB 3.39Å; Y30-K33 PolarHBondContact O-N 2.89Å; Y30-E34 HydrophobicContact CD2-CG 4.27Å; Y30-E34 HydrophobicContact CE1-CG 4.48Å; Y30-E34 HydrophobicContact CE2-CG 3.79Å; Y30-E34 PolarHBondContact O-N 3.41Å; Y30-E34 VanDerWaalsContact O-N 3.12Å; Y30-F80 HydrophobicContact CD1-CB 4.19Å; Y30-F80 HydrophobicContact CD1-CD2 4.08Å; Y30-F80 HydrophobicContact CD1-CG 4.41Å; Y30-F80 HydrophobicContact CD2-CB 4.02Å; Y30-F80 AromaticContact CD2-CD2 3.88Å; Y30-F80 HydrophobicContact CD2-CD2 3.88Å; Y30-F80 HydrophobicContact CD2-CG 4.45Å; Y30-F80 HydrophobicContact CE1-CB 4.04Å; Y30-F80 HydrophobicContact CE2-CB 3.86Å; Y30-F80 VanDerWaalsContact CE2-O 3.23Å; Y30-F80 WeakPolarHBondContact CE2-O 3.45Å; Y30-F80 HydrophobicContact CG-CB 4.18Å; Y30-F80 AromaticContact CG-CD2 3.59Å; Y30-F80 HydrophobicContact CG-CD2 3.59Å; Y30-F80 HydrophobicContact CG-CE2 4.42Å; Y30-F80 HydrophobicContact CG-CG 4.27Å; Y30-S82 WeakPolarHBondContact OH-CA 3.25Å; Y30-S82 PolarHBondContact OH-N 3.09Å; Y30-T86 HydrophobicContact CD1-CG2 3.63Å; Y30-T86 HydrophobicContact CE1-CG2 3.77Å
31C98.5Very high98.4Very high0 Ų044.8 Ų44.80%024%0.235CC..Hα-helixtrans-60.6-45.9178.5-64.40000111.7M27 A28 K33 E34 S35 Y36 F39 A40 I83M27-C31 PolarHBondContact O-N 3.33Å; M27-C31 PolarHBondContact O-SG 3.16Å; A28-C31 WeakPolarHBondContact O-CA 3.44Å; A28-C31 WeakPolarHBondContact O-CB 3.1Å; A28-C31 PolarHBondContact O-N 2.87Å; C31-K33 VanDerWaalsContact C-N 3.33Å; C31-K33 PolarHBondContact O-N 2.9Å; C31-E34 CarbonylContact O-C 3.47Å; C31-E34 PolarHBondContact O-N 2.87Å; C31-S35 PolarHBondContact O-N 3.41Å; C31-Y36 PolarHBondContact O-N 3.18Å; C31-F39 HydrophobicContact CB-CB 4.27Å; C31-A40 HydrophobicContact CB-CB 3.74Å; C31-I83 VanDerWaalsContact SG-CD1 3.54Å
32D98.4Very high98.4Very high88 Ų8845 Ų4547%0.47124%0.235SC..Hα-helixtrans-59.5-43.2176.5-78.4-31.7000112A28 Y30 E34 S35 A40A28-D32 PolarHBondContact O-N 2.94Å; Y30-D32 PolarHBondContact O-N 3.35Å; D32-E34 VanDerWaalsContact C-N 3.26Å; D32-E34 PolarHBondContact O-N 2.92Å; D32-S35 PolarHBondContact O-N 3.33Å; D32-S35 VanDerWaalsContact O-N 3.08Å; D32-A40 WeakPolarHBondContact OD1-CB 3.44Å
33K98.1Very high98.4Very high150 Ų15040.8 Ų40.865%0.65222%0.216SC*.Hα-helixtrans-59-39.2177.2179-167.1168.6-161.10111.9A29 Y30 C31 S35A29-K33 WeakPolarHBondContact O-CB 3.45Å; A29-K33 PolarHBondContact O-N 3.4Å; A29-K33 VanDerWaalsContact O-N 3.11Å; Y30-K33 WeakPolarHBondContact O-CB 3.39Å; Y30-K33 PolarHBondContact O-N 2.89Å; C31-K33 VanDerWaalsContact C-N 3.33Å; C31-K33 PolarHBondContact O-N 2.9Å; K33-S35 VanDerWaalsContact C-N 3.3Å
34E97.1Very high98.4Very high86 Ų8643 Ų4340%0.40223%0.226SC..THydrogen-bonded Turntrans-89.17.6179.5-58.3-59.1136.100113.1Y30 C31 D32 Y36Y30-E34 HydrophobicContact CD2-CG 4.27Å; Y30-E34 HydrophobicContact CE1-CG 4.48Å; Y30-E34 HydrophobicContact CE2-CG 3.79Å; Y30-E34 PolarHBondContact O-N 3.41Å; Y30-E34 VanDerWaalsContact O-N 3.12Å; C31-E34 CarbonylContact O-C 3.47Å; C31-E34 PolarHBondContact O-N 2.87Å; D32-E34 VanDerWaalsContact C-N 3.26Å; D32-E34 PolarHBondContact O-N 2.92Å; E34-Y36 VanDerWaalsContact C-N 3.32Å; E34-Y36 HydrophobicContact CB-CD2 3.69Å; E34-Y36 HydrophobicContact CB-CE2 3.83Å; E34-Y36 PolarHBondContact O-N 2.96Å
35S96.9Very high98.4Very high89 Ų8943.7 Ų43.762%0.62223%0.229SC*.THydrogen-bonded Turntrans62.132.7-178.5-50.60000114.7C31 D32 K33 E37C31-S35 PolarHBondContact O-N 3.41Å; D32-S35 PolarHBondContact O-N 3.33Å; D32-S35 VanDerWaalsContact O-N 3.08Å; K33-S35 VanDerWaalsContact C-N 3.3Å; S35-E37 PolarHBondContact O-N 3.32Å
36Y97.3Very high98.4Very high63 Ų6340.3 Ų40.325%0.24721%0.213CC..  trans-95.162.1172.2-69-47.6000111.2C31 E34 G38 F39 A40 I83 L151 E155C31-Y36 PolarHBondContact O-N 3.18Å; E34-Y36 VanDerWaalsContact C-N 3.32Å; E34-Y36 HydrophobicContact CB-CD2 3.69Å; E34-Y36 HydrophobicContact CB-CE2 3.83Å; E34-Y36 PolarHBondContact O-N 2.96Å; Y36-G38 VanDerWaalsContact C-N 3.3Å; Y36-G38 PolarHBondContact O-N 3.06Å; Y36-F39 HydrophobicContact CD1-CD2 4.22Å; Y36-F39 HydrophobicContact CD1-CE2 4.44Å; Y36-F39 HydrophobicContact CG-CD2 4.21Å; Y36-F39 PolarHBondContact O-N 3.35Å; Y36-A40 PolarHBondContact O-N 2.93Å; Y36-I83 HydrophobicContact CE2-CB 4.35Å; Y36-L151 HydrophobicContact CE1-CD2 4.05Å; Y36-E155 VanDerWaalsContact CA-OE1 3.24Å; Y36-E155 WeakPolarHBondContact CA-OE1 3.4Å
37E97.4Very high98.4Very high148 Ų14839.6 Ų39.669%0.69221%0.207SC*.Hα-helixtrans-56.5-38.9-172.7-63-179.2177.400113.3S35 A40 N41 E155S35-E37 PolarHBondContact O-N 3.32Å; E37-A40 WeakPolarHBondContact O-CB 3.34Å; E37-A40 PolarHBondContact O-N 3.44Å; E37-N41 PolarHBondContact O-N 2.97Å; E37-E155 PolarHBondContact N-OE1 3.38Å
38G98.6Very high98.4Very high8 Ų843.4 Ų43.48%0.08222%0.224CC..Hα-helixtrans-69.6-37.8-179.900000112.9Y36 N41 F42 E155 L158 G159Y36-G38 VanDerWaalsContact C-N 3.3Å; Y36-G38 PolarHBondContact O-N 3.06Å; G38-N41 PolarHBondContact O-N 3.47Å; G38-F42 PolarHBondContact O-N 3.38Å; G38-F42 VanDerWaalsContact O-N 3.11Å; G38-E155 WeakPolarHBondContact CA-O 3.41Å; G38-E155 PolarHBondContact N-OE1 3.25Å; G38-E155 VanDerWaalsContact N-OE1 3.1Å; G38-L158 CarbonylContact O-C 3.57Å; G38-G159 WeakPolarHBondContact O-CA 3.46Å; G38-G159 PolarHBondContact O-N 3.42Å
39F98.7Very high98.4Very high0 Ų044.8 Ų44.80%023%0.23CC..Hα-helixtrans-70.7-36.4173.1-66.1-84.9000111.8C31 Y36 N41 F42 F43 I83 F87 L141 L151 Y154 E155 L158C31-F39 HydrophobicContact CB-CB 4.27Å; Y36-F39 HydrophobicContact CD1-CD2 4.22Å; Y36-F39 HydrophobicContact CD1-CE2 4.44Å; Y36-F39 HydrophobicContact CG-CD2 4.21Å; Y36-F39 PolarHBondContact O-N 3.35Å; F39-N41 VanDerWaalsContact C-N 3.34Å; F39-N41 PolarHBondContact O-N 3.15Å; F39-F42 WeakPolarHBondContact O-CB 3.2Å; F39-F42 PolarHBondContact O-N 2.95Å; F39-F43 VanDerWaalsContact O-CD2 3.31Å; F39-F43 WeakPolarHBondContact O-CD2 3.21Å; F39-F43 PolarHBondContact O-N 3.14Å; F39-I83 HydrophobicContact CB-CD1 3.76Å; F39-I83 HydrophobicContact CD1-CD1 3.72Å; F39-I83 HydrophobicContact CD1-CG1 3.7Å; F39-I83 HydrophobicContact CD2-CD1 4.33Å; F39-I83 HydrophobicContact CD2-CG1 4.32Å; F39-I83 HydrophobicContact CE1-CD1 4.35Å; F39-I83 HydrophobicContact CE1-CG1 3.8Å; F39-I83 HydrophobicContact CE2-CG1 4.41Å; F39-I83 HydrophobicContact CG-CD1 3.69Å; F39-I83 HydrophobicContact CG-CG1 3.96Å; F39-I83 HydrophobicContact CZ-CG1 4.17Å; F39-F87 AromaticContact CD1-CE2 3.64Å; F39-F87 HydrophobicContact CD1-CE2 3.64Å; F39-F87 AromaticContact CD1-CZ 3.91Å; F39-F87 HydrophobicContact CD1-CZ 3.91Å; F39-F87 AromaticContact CE1-CE2 3.96Å; F39-F87 HydrophobicContact CE1-CE2 3.96Å; F39-F87 HydrophobicContact CE1-CZ 4.25Å; F39-L141 HydrophobicContact CE1-CD2 4.02Å; F39-L141 HydrophobicContact CZ-CD2 4.02Å; F39-L151 HydrophobicContact CE2-CD1 4.05Å; F39-L151 HydrophobicContact CE2-CG 4.49Å; F39-L151 HydrophobicContact CZ-CD1 3.77Å; F39-Y154 HydrophobicContact CE1-CD1 4.27Å; F39-Y154 HydrophobicContact CZ-CD1 4.16Å; F39-E155 HydrophobicContact CD2-CB 3.98Å; F39-E155 HydrophobicContact CD2-CG 3.74Å; F39-E155 HydrophobicContact CE2-CB 3.6Å; F39-E155 HydrophobicContact CE2-CG 3.9Å; F39-E155 HydrophobicContact CZ-CB 4.42Å; F39-L158 HydrophobicContact CD1-CD1 3.36Å; F39-L158 HydrophobicContact CE1-CD1 3.17Å; F39-L158 HydrophobicContact CG-CD1 4.31Å; F39-L158 HydrophobicContact CZ-CD1 4Å
40A98.8Very high98.4Very high1 Ų142 Ų421%0.00821%0.207CC..Hα-helixtrans-59.7-46173.200000110.8C31 D32 Y36 E37 F42 F43 I44C31-A40 HydrophobicContact CB-CB 3.74Å; D32-A40 WeakPolarHBondContact OD1-CB 3.44Å; Y36-A40 PolarHBondContact O-N 2.93Å; E37-A40 WeakPolarHBondContact O-CB 3.34Å; E37-A40 PolarHBondContact O-N 3.44Å; A40-F42 PolarHBondContact O-N 3.36Å; A40-F43 PolarHBondContact O-N 2.93Å; A40-I44 VanDerWaalsContact O-CG1 3.25Å; A40-I44 WeakPolarHBondContact O-CG1 3.4Å; A40-I44 PolarHBondContact O-N 3.44Å
41N98.8Very high98.4Very high41 Ų4145.4 Ų45.422%0.21922%0.22CC..Hα-helixtrans-58.4-46.7174.1176.970.7000111.8E37 G38 F39 F43 I44 Q45 G159 R161E37-N41 PolarHBondContact O-N 2.97Å; G38-N41 PolarHBondContact O-N 3.47Å; F39-N41 VanDerWaalsContact C-N 3.34Å; F39-N41 PolarHBondContact O-N 3.15Å; N41-F43 VanDerWaalsContact C-N 3.33Å; N41-F43 PolarHBondContact O-N 2.86Å; N41-I44 PolarHBondContact O-N 3.49Å; N41-I44 VanDerWaalsContact O-N 3.12Å; N41-Q45 WeakPolarHBondContact O-CG 3.01Å; N41-Q45 PolarHBondContact O-N 3.35Å; N41-Q45 PolarHBondContact OD1-NE2 3.48Å; N41-G159 PolarHBondContact ND2-O 3.3Å; N41-R161 PolarHBondContact ND2-O 3.21Å
42F98.8Very high98.4Very high3 Ų347.8 Ų47.81%0.01323%0.23CC..Hα-helixtrans-52.7-50.6177.8173.5-87.6000111.9G38 F39 A40 I44 Q45 Q46 F87 M133 F134 H137 L158 R161G38-F42 PolarHBondContact O-N 3.38Å; G38-F42 VanDerWaalsContact O-N 3.11Å; F39-F42 WeakPolarHBondContact O-CB 3.2Å; F39-F42 PolarHBondContact O-N 2.95Å; A40-F42 PolarHBondContact O-N 3.36Å; F42-I44 VanDerWaalsContact C-N 3.35Å; F42-I44 PolarHBondContact O-N 3.21Å; F42-Q45 PolarHBondContact O-N 3.44Å; F42-Q46 PolarHBondContact O-N 2.92Å; F42-F87 HydrophobicContact CD1-CE1 4.17Å; F42-F87 HydrophobicContact CD1-CZ 4.01Å; F42-F87 AromaticContact CE1-CE1 3.69Å; F42-F87 HydrophobicContact CE1-CE1 3.69Å; F42-F87 HydrophobicContact CE1-CZ 4.01Å; F42-F87 HydrophobicContact CZ-CE1 4.04Å; F42-M133 HydrophobicContact CE2-SD 4Å; F42-M133 HydrophobicContact CZ-CE 3.97Å; F42-M133 HydrophobicContact CZ-SD 3.9Å; F42-F134 AromaticContact CE1-CE1 3.91Å; F42-F134 HydrophobicContact CE1-CE1 3.91Å; F42-F134 HydrophobicContact CE1-CZ 4.3Å; F42-F134 HydrophobicContact CZ-CE1 4.18Å; F42-F134 HydrophobicContact CZ-CZ 4.45Å; F42-H137 AromaticContact CE2-CD2 3.98Å; F42-H137 AromaticContact CE2-NE2 3.37Å; F42-H137 WeakPolarHBondContact CE2-NE2 3.42Å; F42-H137 AromaticContact CZ-CD2 3.73Å; F42-H137 AromaticContact CZ-NE2 3.61Å; F42-L158 HydrophobicContact CB-CB 4.17Å; F42-L158 HydrophobicContact CD2-CD2 3.74Å; F42-L158 HydrophobicContact CE2-CD2 4.11Å; F42-L158 HydrophobicContact CG-CD2 4.4Å; F42-R161 VanDerWaalsContact CD2-CD 3.45Å
43F98.9Very high98.4Very high0 Ų043.7 Ų43.70%021%0.208CC..Hα-helixtrans-68.4-31.9179.1-74.1-54.4000113.2Y24 M27 A28 F39 A40 N41 Q45 Q46 A47 I83 T86 F87 S90 F134Y24-F43 AromaticContact CD1-CD1 3.56Å; Y24-F43 HydrophobicContact CD1-CD1 3.56Å; Y24-F43 HydrophobicContact CD1-CE1 4.02Å; Y24-F43 HydrophobicContact CE1-CD1 4.08Å; Y24-F43 HydrophobicContact CE1-CE1 4.15Å; M27-F43 HydrophobicContact CB-CD1 4.1Å; M27-F43 HydrophobicContact CB-CD2 3.88Å; M27-F43 HydrophobicContact CB-CE1 4.23Å; M27-F43 HydrophobicContact CB-CE2 4.03Å; M27-F43 HydrophobicContact CB-CG 3.92Å; M27-F43 HydrophobicContact CB-CZ 4.2Å; M27-F43 HydrophobicContact SD-CD1 4.21Å; M27-F43 HydrophobicContact SD-CE1 3.8Å; M27-F43 HydrophobicContact SD-CZ 4.17Å; A28-F43 HydrophobicContact CB-CB 3.81Å; F39-F43 VanDerWaalsContact O-CD2 3.31Å; F39-F43 WeakPolarHBondContact O-CD2 3.21Å; F39-F43 PolarHBondContact O-N 3.14Å; A40-F43 PolarHBondContact O-N 2.93Å; N41-F43 VanDerWaalsContact C-N 3.33Å; N41-F43 PolarHBondContact O-N 2.86Å; F43-Q45 VanDerWaalsContact C-N 3.34Å; F43-Q46 PolarHBondContact O-N 3.36Å; F43-A47 WeakPolarHBondContact O-CB 3.49Å; F43-A47 PolarHBondContact O-N 2.83Å; F43-I83 HydrophobicContact CE2-CD1 4.36Å; F43-T86 WeakPolarHBondContact CE2-OG1 3.3Å; F43-T86 VanDerWaalsContact CZ-OG1 3.32Å; F43-T86 WeakPolarHBondContact CZ-OG1 3.48Å; F43-F87 HydrophobicContact CE2-CE2 4.08Å; F43-F87 HydrophobicContact CZ-CD2 4.02Å; F43-F87 AromaticContact CZ-CE2 3.81Å; F43-F87 HydrophobicContact CZ-CE2 3.81Å; F43-F87 HydrophobicContact CZ-CZ 4.12Å; F43-S90 WeakPolarHBondContact CE1-OG 3.42Å; F43-F134 HydrophobicContact CE1-CE1 4.47Å
44I98.8Very high98.4Very high53 Ų5336.5 Ų36.527%0.27218%0.177SC..Hα-helixtrans-64.2-40.9172.4-71.5164.3000110.8M25 A28 A40 N41 F42 A47 K48M25-I44 HydrophobicContact CE-CG1 4.45Å; M25-I44 HydrophobicContact SD-CG1 4.39Å; A28-I44 HydrophobicContact CB-CD1 4.4Å; A28-I44 HydrophobicContact CB-CG1 3.76Å; A40-I44 VanDerWaalsContact O-CG1 3.25Å; A40-I44 WeakPolarHBondContact O-CG1 3.4Å; A40-I44 PolarHBondContact O-N 3.44Å; N41-I44 PolarHBondContact O-N 3.49Å; N41-I44 VanDerWaalsContact O-N 3.12Å; F42-I44 VanDerWaalsContact C-N 3.35Å; F42-I44 PolarHBondContact O-N 3.21Å; I44-A47 PolarHBondContact O-N 3.36Å; I44-K48 WeakPolarHBondContact O-CG 3.47Å; I44-K48 PolarHBondContact O-N 2.91Å
45Q98.8Very high98.5Very high14 Ų1436 Ų367%0.06518%0.175CC..Hα-helixtrans-68.8-43.9176.4-57-48.9-4000111.4N41 F42 F43 A47 K48 E49 R161 F163N41-Q45 WeakPolarHBondContact O-CG 3.01Å; N41-Q45 PolarHBondContact O-N 3.35Å; N41-Q45 PolarHBondContact OD1-NE2 3.48Å; F42-Q45 PolarHBondContact O-N 3.44Å; F43-Q45 VanDerWaalsContact C-N 3.34Å; Q45-A47 PolarHBondContact O-N 3.49Å; Q45-K48 WeakPolarHBondContact O-CA 3.41Å; Q45-K48 WeakPolarHBondContact O-CB 3.37Å; Q45-K48 PolarHBondContact O-N 3.49Å; Q45-E49 PolarHBondContact O-N 2.99Å; Q45-E49 VanDerWaalsContact O-N 3.1Å; Q45-R161 HydrophobicContact CB-CG 4.09Å; Q45-R161 HydrophobicContact CG-CB 4.43Å; Q45-R161 HydrophobicContact CG-CG 4.21Å; Q45-R161 VanDerWaalsContact CG-O 3.28Å; Q45-R161 WeakPolarHBondContact CG-O 3.34Å; Q45-F163 HydrophobicContact CB-CB 4.18Å
46Q98.8Very high98.6Very high0 Ų034.2 Ų34.20%016%0.156CC..Hα-helixtrans-55.8-42.5172.7-171.168.634.400111.1Y24 F42 F43 K48 E49 E50 E130 F134Y24-Q46 HydrophobicContact CD1-CB 4.33Å; Y24-Q46 HydrophobicContact CD1-CG 3.94Å; Y24-Q46 HydrophobicContact CD2-CB 4.17Å; Y24-Q46 HydrophobicContact CD2-CG 3.41Å; Y24-Q46 VanDerWaalsContact CD2-CG 3.41Å; Y24-Q46 HydrophobicContact CE1-CG 3.78Å; Y24-Q46 HydrophobicContact CE2-CB 4.44Å; Y24-Q46 HydrophobicContact CE2-CG 3.26Å; Y24-Q46 HydrophobicContact CG-CB 4.12Å; Y24-Q46 HydrophobicContact CG-CG 3.76Å; Y24-Q46 VanDerWaalsContact CZ-CG 3.45Å; F42-Q46 PolarHBondContact O-N 2.92Å; F43-Q46 PolarHBondContact O-N 3.36Å; Q46-K48 PolarHBondContact O-N 2.96Å; Q46-E49 WeakPolarHBondContact O-CB 3.32Å; Q46-E49 PolarHBondContact O-N 2.9Å; Q46-E49 VanDerWaalsContact O-N 3.1Å; Q46-E50 PolarHBondContact NE2-OE1 3.37Å; Q46-E50 PolarHBondContact O-N 2.94Å; Q46-E130 PolarHBondContact NE2-OE1 2.61Å; Q46-F134 HydrophobicContact CG-CZ 4.16Å
47A98.8Very high98.7Very high0 Ų031.3 Ų31.30%014%0.144CC..Hα-helixtrans-63.9-23.4176.600000113.5A21 M25 F43 I44 Q45 R51A21-A47 WeakPolarHBondContact CB-O 3.42Å; A21-A47 WeakPolarHBondContact O-CB 3.25Å; M25-A47 HydrophobicContact CG-CB 3.9Å; M25-A47 HydrophobicContact SD-CB 3.81Å; F43-A47 WeakPolarHBondContact O-CB 3.49Å; F43-A47 PolarHBondContact O-N 2.83Å; I44-A47 PolarHBondContact O-N 3.36Å; Q45-A47 PolarHBondContact O-N 3.49Å; A47-R51 VanDerWaalsContact C-NH1 3.33Å; A47-R51 VanDerWaalsContact O-CG 3.3Å; A47-R51 WeakPolarHBondContact O-CG 3.49Å; A47-R51 PolarHBondContact O-N 3.3Å; A47-R51 PolarHBondContact O-NH1 2.99Å
48K98.7Very high98.7Very high88 Ų8828.1 Ų28.138%0.38313%0.126SC..Hα-helixtrans-76.4-41.9172.4-66.1172.6-173.4171.70110.7I44 Q45 Q46 R51 F52 F163I44-K48 WeakPolarHBondContact O-CG 3.47Å; I44-K48 PolarHBondContact O-N 2.91Å; Q45-K48 WeakPolarHBondContact O-CA 3.41Å; Q45-K48 WeakPolarHBondContact O-CB 3.37Å; Q45-K48 PolarHBondContact O-N 3.49Å; Q46-K48 PolarHBondContact O-N 2.96Å; K48-R51 WeakPolarHBondContact O-CB 3.29Å; K48-R51 PolarHBondContact O-N 2.73Å; K48-R51 VanDerWaalsContact O-N 3.14Å; K48-F52 PolarHBondContact O-N 3.02Å; K48-F163 HydrophobicContact CB-CB 4.39Å; K48-F163 HydrophobicContact CB-CD1 3.67Å; K48-F163 HydrophobicContact CB-CE1 4.39Å; K48-F163 HydrophobicContact CB-CG 4.3Å
49E98.7Very high98.7Very high29 Ų2931.2 Ų31.214%0.13614%0.141CC..Hα-helixtrans-56.9-49175.4-169.4149.2-152.700111.5Q45 Q46 R51 F52 H53 R161 F163Q45-E49 PolarHBondContact O-N 2.99Å; Q45-E49 VanDerWaalsContact O-N 3.1Å; Q46-E49 WeakPolarHBondContact O-CB 3.32Å; Q46-E49 PolarHBondContact O-N 2.9Å; Q46-E49 VanDerWaalsContact O-N 3.1Å; E49-R51 VanDerWaalsContact C-N 3.28Å; E49-R51 PolarHBondContact O-N 3.44Å; E49-F52 CarbonylContact O-C 3.53Å; E49-F52 WeakPolarHBondContact O-CA 3.36Å; E49-F52 VanDerWaalsContact O-CB 3.25Å; E49-F52 WeakPolarHBondContact O-CB 3.34Å; E49-F52 PolarHBondContact O-N 2.93Å; E49-H53 PolarHBondContact O-CD2 3Å; E49-H53 VanDerWaalsContact O-CD2 3.31Å; E49-H53 PolarHBondContact O-N 2.7Å; E49-R161 IonicContact OE2-CZ 3.99Å; E49-R161 IonicContact OE2-NH2 3.75Å; E49-R161 PolarHBondContact OE2-NH2 3.21Å; E49-F163 HydrophobicContact CB-CD2 3.58Å; E49-F163 HydrophobicContact CB-CE2 3.67Å; E49-F163 HydrophobicContact CB-CG 4.05Å; E49-F163 HydrophobicContact CB-CZ 4.19Å; E49-F163 HydrophobicContact CG-CD2 3.74Å; E49-F163 HydrophobicContact CG-CE2 3.51Å; E49-F163 HydrophobicContact CG-CZ 4.27Å
50E98.7Very high98.7Very high0 Ų032.4 Ų32.40%015%0.146CC..Hα-helixtrans-63-32.6175.7-60.6-46.115500113.9E17 A20 A21 Y24 Q46 F52 H53 G54E17-E50 WeakPolarHBondContact CB-O 3.38Å; A20-E50 HydrophobicContact CB-CB 4.31Å; A20-E50 HydrophobicContact CB-CG 3.85Å; A21-E50 HydrophobicContact CB-CB 3.73Å; Y24-E50 HydrophobicContact CD2-CG 3.61Å; Y24-E50 HydrophobicContact CE2-CG 3.65Å; Y24-E50 WeakPolarHBondContact CE2-OE1 3.29Å; Q46-E50 PolarHBondContact NE2-OE1 3.37Å; Q46-E50 PolarHBondContact O-N 2.94Å; E50-F52 VanDerWaalsContact C-N 3.3Å; E50-H53 WeakPolarHBondContact O-CB 3.46Å; E50-H53 PolarHBondContact O-N 3.14Å; E50-H53 IonicContact OE2-CE1 3.43Å; E50-H53 IonicContact OE2-CG 3.83Å; E50-H53 IonicContact OE2-ND1 3.88Å; E50-H53 PolarHBondContact OE2-ND1 3.37Å; E50-G54 PolarHBondContact O-N 3.04Å
51R98.6Very high98.7Very high92 Ų9232.3 Ų32.335%0.34715%0.145SC..Hα-helixtrans-68.4-35.3173.3-72.4178.2-170.4102.9-4.8111.1Y18 A21 A47 K48 E49 G54 Q55Y18-R51 HydrophobicContact CD1-CG 4.26Å; Y18-R51 HydrophobicContact CE1-CB 4.37Å; Y18-R51 HydrophobicContact CE1-CG 4.3Å; A21-R51 HydrophobicContact CB-CG 3.7Å; A47-R51 VanDerWaalsContact C-NH1 3.33Å; A47-R51 VanDerWaalsContact O-CG 3.3Å; A47-R51 WeakPolarHBondContact O-CG 3.49Å; A47-R51 PolarHBondContact O-N 3.3Å; A47-R51 PolarHBondContact O-NH1 2.99Å; K48-R51 WeakPolarHBondContact O-CB 3.29Å; K48-R51 PolarHBondContact O-N 2.73Å; K48-R51 VanDerWaalsContact O-N 3.14Å; E49-R51 VanDerWaalsContact C-N 3.28Å; E49-R51 PolarHBondContact O-N 3.44Å; R51-G54 PolarHBondContact O-N 3.4Å; R51-Q55 VanDerWaalsContact O-CB 3.32Å; R51-Q55 WeakPolarHBondContact O-CB 3.33Å; R51-Q55 PolarHBondContact O-N 2.95Å
52F98.6Very high98.7Very high51 Ų5132.8 Ų32.822%0.22415%0.148CC..Hα-helixtrans-65.9-41.3173.2174.4-100000111.1K48 E49 E50 G54 Q55 K56 W122 F163 E165K48-F52 PolarHBondContact O-N 3.02Å; E49-F52 CarbonylContact O-C 3.53Å; E49-F52 WeakPolarHBondContact O-CA 3.36Å; E49-F52 VanDerWaalsContact O-CB 3.25Å; E49-F52 WeakPolarHBondContact O-CB 3.34Å; E49-F52 PolarHBondContact O-N 2.93Å; E50-F52 VanDerWaalsContact C-N 3.3Å; F52-G54 PolarHBondContact O-N 2.88Å; F52-Q55 PolarHBondContact O-N 3.28Å; F52-K56 WeakPolarHBondContact O-CB 3.42Å; F52-K56 PolarHBondContact O-N 2.9Å; F52-W122 HydrophobicContact CD1-CH2 4.35Å; F52-W122 HydrophobicContact CE1-CH2 4.03Å; F52-W122 HydrophobicContact CE1-CZ2 4.04Å; F52-F163 HydrophobicContact CB-CE1 3.8Å; F52-F163 HydrophobicContact CB-CZ 3.59Å; F52-F163 AromaticContact CD1-CZ 3.85Å; F52-F163 HydrophobicContact CD1-CZ 3.85Å; F52-F163 HydrophobicContact CD2-CZ 4.44Å; F52-F163 HydrophobicContact CG-CE1 4.25Å; F52-F163 AromaticContact CG-CZ 3.73Å; F52-F163 HydrophobicContact CG-CZ 3.73Å; F52-E165 HydrophobicContact CD2-CB 4.15Å; F52-E165 HydrophobicContact CD2-CG 3.93Å; F52-E165 HydrophobicContact CE2-CB 4.05Å; F52-E165 HydrophobicContact CE2-CG 4.35Å
53H98.7Very high98.7Very high1 Ų139.2 Ų39.21%0.00518%0.182CC..Hα-helixtrans-56.6-51.7172.2-60.1169.2000111.2E17 E49 E50 Q55 K56 I57 W122 F123 E130E17-H53 HydrophobicContact CB-CB 4.15Å; E17-H53 HydrophobicContact CG-CB 3.86Å; E49-H53 PolarHBondContact O-CD2 3Å; E49-H53 VanDerWaalsContact O-CD2 3.31Å; E49-H53 PolarHBondContact O-N 2.7Å; E50-H53 WeakPolarHBondContact O-CB 3.46Å; E50-H53 PolarHBondContact O-N 3.14Å; E50-H53 IonicContact OE2-CE1 3.43Å; E50-H53 IonicContact OE2-CG 3.83Å; E50-H53 IonicContact OE2-ND1 3.88Å; E50-H53 PolarHBondContact OE2-ND1 3.37Å; H53-Q55 VanDerWaalsContact C-N 3.32Å; H53-Q55 PolarHBondContact O-N 3.28Å; H53-K56 WeakPolarHBondContact O-CB 3.33Å; H53-K56 PolarHBondContact O-N 2.94Å; H53-K56 VanDerWaalsContact O-N 3.15Å; H53-I57 PolarHBondContact O-N 2.75Å; H53-I57 VanDerWaalsContact O-N 3.12Å; H53-W122 AromaticContact CD2-CH2 3.47Å; H53-W122 VanDerWaalsContact CD2-CH2 3.47Å; H53-W122 WeakPolarHBondContact CD2-CH2 3.48Å; H53-W122 AromaticContact CD2-CZ3 3.8Å; H53-W122 AromaticContact NE2-CH2 3.58Å; H53-F123 HydrophobicContact CB-CE1 4.21Å; H53-E130 IonicContact CE1-OE1 2.75Å; H53-E130 PolarHBondContact CE1-OE1 2.99Å
54G98.6Very high98.7Very high0 Ų042.2 Ų42.20%019%0.194CC..Hα-helixtrans-57.8-43.1175.700000112.6E50 R51 F52 K56 I57 Y58E50-G54 PolarHBondContact O-N 3.04Å; R51-G54 PolarHBondContact O-N 3.4Å; F52-G54 PolarHBondContact O-N 2.88Å; G54-K56 VanDerWaalsContact C-N 3.34Å; G54-K56 PolarHBondContact O-N 2.89Å; G54-I57 PolarHBondContact O-N 3.17Å; G54-Y58 WeakPolarHBondContact O-CB 3.34Å; G54-Y58 PolarHBondContact O-N 3.21Å
55Q98.6Very high98.6Very high76 Ų7642.9 Ų42.936%0.35521%0.214SC..Hα-helixtrans-65-36.7177.8-174.5615500112.3Y18 R51 F52 H53 Y58 N59Y18-Q55 PolarHBondContact OH-N 2.89Å; R51-Q55 VanDerWaalsContact O-CB 3.32Å; R51-Q55 WeakPolarHBondContact O-CB 3.33Å; R51-Q55 PolarHBondContact O-N 2.95Å; F52-Q55 PolarHBondContact O-N 3.28Å; H53-Q55 VanDerWaalsContact C-N 3.32Å; H53-Q55 PolarHBondContact O-N 3.28Å; Q55-Y58 WeakPolarHBondContact O-CB 3.33Å; Q55-Y58 PolarHBondContact O-N 2.82Å; Q55-N59 PolarHBondContact NE2-OD1 3.34Å; Q55-N59 WeakPolarHBondContact O-CB 3.47Å; Q55-N59 VanDerWaalsContact O-CG 3.24Å; Q55-N59 PolarHBondContact O-N 3.02Å; Q55-N59 PolarHBondContact O-ND2 3.44Å
56K98.7Very high98.6Very high51 Ų5143.4 Ų43.422%0.22222%0.22CC..Hα-helixtrans-64.3-42.2176.9-168.4178-177.11280111.2F52 H53 G54 Y60 F119 W122 F123F52-K56 WeakPolarHBondContact O-CB 3.42Å; F52-K56 PolarHBondContact O-N 2.9Å; H53-K56 WeakPolarHBondContact O-CB 3.33Å; H53-K56 PolarHBondContact O-N 2.94Å; H53-K56 VanDerWaalsContact O-N 3.15Å; G54-K56 VanDerWaalsContact C-N 3.34Å; G54-K56 PolarHBondContact O-N 2.89Å; K56-Y60 WeakPolarHBondContact O-CB 3.37Å; K56-Y60 PolarHBondContact O-N 3.1Å; K56-Y60 VanDerWaalsContact O-N 3.09Å; K56-F119 HydrophobicContact CG-CE2 4.02Å; K56-F119 HydrophobicContact CG-CZ 4.37Å; K56-W122 HydrophobicContact CD-CD2 3.95Å; K56-W122 HydrophobicContact CD-CE3 3.51Å; K56-W122 HydrophobicContact CD-CH2 4.1Å; K56-W122 HydrophobicContact CD-CZ2 4.44Å; K56-W122 HydrophobicContact CD-CZ3 3.61Å; K56-W122 VanDerWaalsContact CE-CE3 3.41Å; K56-W122 VanDerWaalsContact NZ-CG 3.34Å; K56-F123 HydrophobicContact CB-CZ 3.98Å; K56-F123 HydrophobicContact CD-CE1 4.33Å; K56-F123 HydrophobicContact CD-CE2 4.06Å; K56-F123 HydrophobicContact CD-CZ 3.66Å; K56-F123 HydrophobicContact CG-CE2 4.37Å; K56-F123 HydrophobicContact CG-CZ 3.88Å
57I98.8Very high98.5Very high1 Ų149.4 Ų49.41%0.00525%0.248CC..Hα-helixtrans-67.4-43.5173.9-56.7172.3000111.1L10 Q13 M14 E17 H53 G54 N59 Y60 I61 F101 F119 F123L10-I57 HydrophobicContact CB-CG2 4.37Å; L10-I57 HydrophobicContact CD2-CG2 4.2Å; L10-I57 WeakPolarHBondContact O-CG2 3.25Å; Q13-I57 HydrophobicContact CB-CD1 4.24Å; Q13-I57 HydrophobicContact CG-CD1 3.68Å; M14-I57 HydrophobicContact CB-CB 4.05Å; M14-I57 HydrophobicContact CB-CG2 3.75Å; M14-I57 HydrophobicContact CG-CB 4.4Å; M14-I57 HydrophobicContact CG-CG2 4.47Å; E17-I57 HydrophobicContact CG-CD1 3.93Å; H53-I57 PolarHBondContact O-N 2.75Å; H53-I57 VanDerWaalsContact O-N 3.12Å; G54-I57 PolarHBondContact O-N 3.17Å; I57-N59 PolarHBondContact O-N 3.25Å; I57-Y60 PolarHBondContact O-N 3.1Å; I57-I61 HydrophobicContact CG2-CD1 3.97Å; I57-I61 HydrophobicContact CG2-CG1 4.34Å; I57-I61 WeakPolarHBondContact O-CG1 3.41Å; I57-I61 PolarHBondContact O-N 3.43Å; I57-F101 HydrophobicContact CD1-CE1 4.28Å; I57-F101 HydrophobicContact CD1-CZ 4.16Å; I57-F119 HydrophobicContact CG1-CE1 4.38Å; I57-F119 HydrophobicContact CG1-CZ 4.21Å; I57-F123 HydrophobicContact CD1-CE1 4.13Å; I57-F123 HydrophobicContact CD1-CZ 4.21Å; I57-F123 HydrophobicContact CG1-CE1 3.92Å; I57-F123 HydrophobicContact CG1-CE2 4.3Å; I57-F123 HydrophobicContact CG1-CZ 3.52Å
58Y98.8Very high98.5Very high81 Ų8149.7 Ų49.732%0.31825%0.25SS..Hα-helixtrans-53.8-51.3174.1169.4-85.3000111.6M14 G54 Q55 Y60 I61 N62 A68 F70M14-Y58 HydrophobicContact SD-CD2 4.16Å; M14-Y58 HydrophobicContact SD-CG 4.45Å; G54-Y58 WeakPolarHBondContact O-CB 3.34Å; G54-Y58 PolarHBondContact O-N 3.21Å; Q55-Y58 WeakPolarHBondContact O-CB 3.33Å; Q55-Y58 PolarHBondContact O-N 2.82Å; Y58-Y60 VanDerWaalsContact C-N 3.31Å; Y58-Y60 PolarHBondContact O-N 3.23Å; Y58-I61 PolarHBondContact O-N 3.31Å; Y58-N62 VanDerWaalsContact CE1-ND2 3.3Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.42Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.41Å; Y58-N62 PolarHBondContact O-N 3.5Å; Y58-N62 PolarHBondContact O-ND2 3.37Å; Y58-A68 HydrophobicContact CD2-CB 3.4Å; Y58-A68 VanDerWaalsContact CD2-CB 3.4Å; Y58-A68 HydrophobicContact CE2-CB 3.79Å; Y58-A68 HydrophobicContact CG-CB 4.21Å; Y58-F70 AromaticContact CD2-CE2 3.69Å; Y58-F70 HydrophobicContact CD2-CE2 3.69Å; Y58-F70 AromaticContact CD2-CZ 3.99Å; Y58-F70 HydrophobicContact CD2-CZ 3.99Å; Y58-F70 AromaticContact CE2-CE2 3.89Å; Y58-F70 HydrophobicContact CE2-CE2 3.89Å; Y58-F70 HydrophobicContact CE2-CZ 4.47Å
59N98.7Very high98.5Very high74 Ų7450.2 Ų50.240%0.39625%0.254SS..Hα-helixtrans-59.7-46.6-179.3-72.5-19.2000110Q55 I57 I61 N62 D63Q55-N59 PolarHBondContact NE2-OD1 3.34Å; Q55-N59 WeakPolarHBondContact O-CB 3.47Å; Q55-N59 VanDerWaalsContact O-CG 3.24Å; Q55-N59 PolarHBondContact O-N 3.02Å; Q55-N59 PolarHBondContact O-ND2 3.44Å; I57-N59 PolarHBondContact O-N 3.25Å; N59-I61 PolarHBondContact O-N 3.22Å; N59-N62 PolarHBondContact O-N 3.01Å; N59-D63 WeakPolarHBondContact O-CB 3.47Å; N59-D63 VanDerWaalsContact O-CG 3.25Å; N59-D63 PolarHBondContact O-N 3.24Å
60Y98.8Very high98.5Very high24 Ų2454.3 Ų54.39%0.09427%0.272CS..Hα-helixtrans-59.2-45.7179.3-178.2-104.7000113.4L10 K56 I57 Y58 N62 D63 R64 A115 T116 F119L10-Y60 HydrophobicContact CD1-CD1 4.26Å; L10-Y60 HydrophobicContact CD1-CE1 4.06Å; L10-Y60 HydrophobicContact CD2-CD1 4.42Å; K56-Y60 WeakPolarHBondContact O-CB 3.37Å; K56-Y60 PolarHBondContact O-N 3.1Å; K56-Y60 VanDerWaalsContact O-N 3.09Å; I57-Y60 PolarHBondContact O-N 3.1Å; Y58-Y60 VanDerWaalsContact C-N 3.31Å; Y58-Y60 PolarHBondContact O-N 3.23Å; Y60-N62 VanDerWaalsContact C-N 3.32Å; Y60-N62 PolarHBondContact O-N 2.9Å; Y60-D63 PolarHBondContact O-N 3.42Å; Y60-R64 HydrophobicContact CD1-CG 4.36Å; Y60-R64 HydrophobicContact CD2-CG 4.21Å; Y60-R64 HydrophobicContact CE1-CG 3.96Å; Y60-R64 HydrophobicContact CE2-CG 3.79Å; Y60-R64 HydrophobicContact CG-CG 4.47Å; Y60-R64 WeakPolarHBondContact O-CB 3.3Å; Y60-R64 WeakPolarHBondContact O-CG 3.35Å; Y60-R64 PolarHBondContact O-N 3.19Å; Y60-R64 PolarHBondContact OH-NH1 3.3Å; Y60-A115 PolarHBondContact OH-O 3.14Å; Y60-T116 HydrophobicContact CE1-CG2 4.02Å; Y60-T116 WeakPolarHBondContact OH-CA 3.29Å; Y60-T116 WeakPolarHBondContact OH-CB 3.44Å; Y60-T116 PolarHBondContact OH-N 2.82Å; Y60-T116 PolarHBondContact OH-OG1 3.08Å; Y60-F119 VanDerWaalsContact CB-CE2 3.44Å; Y60-F119 AromaticContact CD1-CD1 3.59Å; Y60-F119 HydrophobicContact CD1-CD1 3.59Å; Y60-F119 HydrophobicContact CD1-CD2 4.37Å; Y60-F119 AromaticContact CD1-CE1 3.62Å; Y60-F119 HydrophobicContact CD1-CE1 3.62Å; Y60-F119 HydrophobicContact CD1-CE2 4.39Å; Y60-F119 AromaticContact CD1-CG 3.97Å; Y60-F119 HydrophobicContact CD1-CG 3.97Å; Y60-F119 HydrophobicContact CD1-CZ 4.03Å; Y60-F119 HydrophobicContact CD2-CB 3.99Å; Y60-F119 HydrophobicContact CD2-CD1 4.06Å; Y60-F119 AromaticContact CD2-CD2 3.43Å; Y60-F119 HydrophobicContact CD2-CD2 3.43Å; Y60-F119 VanDerWaalsContact CD2-CD2 3.43Å; Y60-F119 HydrophobicContact CD2-CE1 4.41Å; Y60-F119 AromaticContact CD2-CE2 3.84Å; Y60-F119 HydrophobicContact CD2-CE2 3.84Å; Y60-F119 AromaticContact CD2-CG 3.54Å; Y60-F119 HydrophobicContact CD2-CG 3.54Å; Y60-F119 HydrophobicContact CD2-CZ 4.3Å; Y60-F119 HydrophobicContact CE1-CB 4.38Å; Y60-F119 AromaticContact CE1-CD1 3.76Å; Y60-F119 HydrophobicContact CE1-CD1 3.76Å; Y60-F119 HydrophobicContact CE1-CE1 4.24Å; Y60-F119 HydrophobicContact CE1-CG 4.08Å; Y60-F119 HydrophobicContact CE2-CB 3.61Å; Y60-F119 HydrophobicContact CE2-CD1 4.23Å; Y60-F119 AromaticContact CE2-CD2 3.98Å; Y60-F119 HydrophobicContact CE2-CD2 3.98Å; Y60-F119 AromaticContact CE2-CG 3.67Å; Y60-F119 HydrophobicContact CE2-CG 3.67Å; Y60-F119 AromaticContact CG-CD1 3.73Å; Y60-F119 HydrophobicContact CG-CD1 3.73Å; Y60-F119 AromaticContact CG-CD2 3.66Å; Y60-F119 HydrophobicContact CG-CD2 3.66Å; Y60-F119 AromaticContact CG-CE1 3.71Å; Y60-F119 HydrophobicContact CG-CE1 3.71Å; Y60-F119 AromaticContact CG-CE2 3.63Å; Y60-F119 HydrophobicContact CG-CE2 3.63Å; Y60-F119 AromaticContact CG-CG 3.7Å; Y60-F119 HydrophobicContact CG-CG 3.7Å; Y60-F119 AromaticContact CG-CZ 3.64Å; Y60-F119 HydrophobicContact CG-CZ 3.64Å; Y60-F119 AromaticContact CZ-CG 3.93Å
61I98.8Very high98.4Very high0 Ų059.1 Ų59.10%029%0.29CS..Hα-helixtrans-57.7-47.2177.5-69.3169000110.7L7 L10 N11 M14 I57 Y58 N59 R64 A66 A68L7-I61 HydrophobicContact CD1-CG2 3.59Å; L10-I61 HydrophobicContact CB-CD1 3.82Å; L10-I61 HydrophobicContact CB-CG1 3.9Å; L10-I61 HydrophobicContact CD1-CG1 4.33Å; N11-I61 WeakPolarHBondContact OD1-CD1 3.47Å; M14-I61 HydrophobicContact SD-CD1 4.36Å; I57-I61 HydrophobicContact CG2-CD1 3.97Å; I57-I61 HydrophobicContact CG2-CG1 4.34Å; I57-I61 WeakPolarHBondContact O-CG1 3.41Å; I57-I61 PolarHBondContact O-N 3.43Å; Y58-I61 PolarHBondContact O-N 3.31Å; N59-I61 PolarHBondContact O-N 3.22Å; I61-R64 PolarHBondContact O-N 2.92Å; I61-A66 HydrophobicContact CG2-CB 3.88Å; I61-A66 PolarHBondContact O-N 2.92Å; I61-A66 VanDerWaalsContact O-N 3.12Å; I61-A68 HydrophobicContact CB-CB 4.23Å; I61-A68 HydrophobicContact CD1-CB 4.35Å; I61-A68 HydrophobicContact CG2-CB 4.01Å
62N98.6Very high98.4Very high51 Ų5159.2 Ų59.227%0.27331%0.31SS..Hα-helixtrans-69.5-40.9-178.4-67.2-60.6000112Y58 N59 Y60 R64 G65 A66Y58-N62 VanDerWaalsContact CE1-ND2 3.3Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.42Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.41Å; Y58-N62 PolarHBondContact O-N 3.5Å; Y58-N62 PolarHBondContact O-ND2 3.37Å; N59-N62 PolarHBondContact O-N 3.01Å; Y60-N62 VanDerWaalsContact C-N 3.32Å; Y60-N62 PolarHBondContact O-N 2.9Å; N62-R64 PolarHBondContact O-N 3.4Å; N62-G65 WeakPolarHBondContact O-CA 3.5Å; N62-G65 PolarHBondContact O-N 3.09Å; N62-A66 PolarHBondContact OD1-O 2.93Å
63D98.4Very high98.2Very high138 Ų13859.2 Ų59.274%0.73832%0.315SS*.Hα-helixtrans-64.1-29.3176.6-73.8-17000112.4N59 Y60 G65N59-D63 WeakPolarHBondContact O-CB 3.47Å; N59-D63 VanDerWaalsContact O-CG 3.25Å; N59-D63 PolarHBondContact O-N 3.24Å; Y60-D63 PolarHBondContact O-N 3.42Å; D63-G65 PolarHBondContact O-N 2.97Å
64R98.1Very high98Very high62 Ų6263.3 Ų63.323%0.23434%0.344CS..THydrogen-bonded Turntrans-796172.3-64.8-60.5-55.6-71.81.5113.4L2 Y60 I61 N62 D113 T116L2-R64 HydrophobicContact CD1-CB 3.95Å; L2-R64 HydrophobicContact CG-CB 4.04Å; Y60-R64 HydrophobicContact CD1-CG 4.36Å; Y60-R64 HydrophobicContact CD2-CG 4.21Å; Y60-R64 HydrophobicContact CE1-CG 3.96Å; Y60-R64 HydrophobicContact CE2-CG 3.79Å; Y60-R64 HydrophobicContact CG-CG 4.47Å; Y60-R64 WeakPolarHBondContact O-CB 3.3Å; Y60-R64 WeakPolarHBondContact O-CG 3.35Å; Y60-R64 PolarHBondContact O-N 3.19Å; Y60-R64 PolarHBondContact OH-NH1 3.3Å; I61-R64 PolarHBondContact O-N 2.92Å; N62-R64 PolarHBondContact O-N 3.4Å; R64-D113 IonicContact CZ-OD1 3.95Å; R64-D113 IonicContact CZ-OD2 3.59Å; R64-D113 IonicContact NH1-OD1 2.79Å; R64-D113 PolarHBondContact NH1-OD1 2.88Å; R64-D113 IonicContact NH1-OD2 2.83Å; R64-D113 PolarHBondContact NH1-OD2 2.95Å; R64-D113 IonicContact NH2-OD1 3.54Å; R64-D113 PolarHBondContact NH2-OD1 2.81Å; R64-D113 IonicContact NH2-OD2 3.42Å; R64-D113 PolarHBondContact NH2-OD2 3.34Å; R64-T116 PolarHBondContact NH1-OG1 2.8Å; R64-T116 VanDerWaalsContact NH1-OG1 3.15Å
65G97.8Very high98Very high68 Ų6867.9 Ų67.970%0.70138%0.381SS*.THydrogen-bonded Turntrans76.520.5176.100000114.2N62 D63N62-G65 WeakPolarHBondContact O-CA 3.5Å; N62-G65 PolarHBondContact O-N 3.09Å; D63-G65 PolarHBondContact O-N 2.97Å
66A98.2Very high98Very high24 Ų2465.9 Ų65.920%0.19838%0.375CS..  trans-104.5179.7174.200000110.9L2 L7 I61 N62L2-A66 HydrophobicContact CD1-CB 4.07Å; L7-A66 HydrophobicContact CD1-CB 3.63Å; L7-A66 HydrophobicContact CD2-CB 3.94Å; L7-A66 HydrophobicContact CG-CB 4.41Å; I61-A66 HydrophobicContact CG2-CB 3.88Å; I61-A66 PolarHBondContact O-N 2.92Å; I61-A66 VanDerWaalsContact O-N 3.12Å; N62-A66 PolarHBondContact OD1-O 2.93Å
67H97.5Very high97.9Very high126 Ų12667.8 Ų67.858%0.58338%0.383SS*.  trans-109.5120.1178.2-174.156.5000109.7E69H67-E69 IonicContact CD2-OE1 2.65Å
68A98.5Very high97.9Very high6 Ų673.2 Ų73.25%0.0541%0.411CS..  trans-73.4125.5171.100000109.9N11 M14 Y58 I61N11-A68 WeakPolarHBondContact OD1-CA 3.37Å; M14-A68 HydrophobicContact CE-CB 4.32Å; M14-A68 HydrophobicContact SD-CB 3.99Å; Y58-A68 HydrophobicContact CD2-CB 3.4Å; Y58-A68 VanDerWaalsContact CD2-CB 3.4Å; Y58-A68 HydrophobicContact CE2-CB 3.79Å; Y58-A68 HydrophobicContact CG-CB 4.21Å; I61-A68 HydrophobicContact CB-CB 4.23Å; I61-A68 HydrophobicContact CD1-CB 4.35Å; I61-A68 HydrophobicContact CG2-CB 4.01Å
69E98.4Very high97.8Very high99 Ų9975.1 Ų75.146%0.46343%0.427SS..  trans-117.7115.6-174.2-70-178.4-172.500110.6N11 M14 H67N11-E69 PolarHBondContact OD1-N 3.45Å; M14-E69 WeakPolarHBondContact CE-O 3.2Å; H67-E69 IonicContact CD2-OE1 2.65Å
70F98Very high97.8Very high115 Ų11572.6 Ų72.650%0.50441%0.412SS..  trans-81.5140.1175.5-72.8-99.4000111.1M14 Y18 Y58M14-F70 HydrophobicContact CE-CD1 4.49Å; M14-F70 HydrophobicContact CE-CD2 4.26Å; M14-F70 HydrophobicContact CE-CE2 4.3Å; M14-F70 HydrophobicContact CE-CG 4.36Å; M14-F70 HydrophobicContact CE-CZ 4.44Å; M14-F70 HydrophobicContact SD-CZ 4.44Å; Y18-F70 HydrophobicContact CD2-CD1 4.3Å; Y18-F70 AromaticContact CD2-CE1 3.73Å; Y18-F70 HydrophobicContact CD2-CE1 3.73Å; Y18-F70 HydrophobicContact CE2-CD1 4.29Å; Y18-F70 AromaticContact CE2-CE1 3.33Å; Y18-F70 HydrophobicContact CE2-CE1 3.33Å; Y18-F70 AromaticContact CE2-CZ 3.88Å; Y18-F70 HydrophobicContact CE2-CZ 3.88Å; Y18-F70 AromaticContact CZ-CE1 3.84Å; Y58-F70 AromaticContact CD2-CE2 3.69Å; Y58-F70 HydrophobicContact CD2-CE2 3.69Å; Y58-F70 AromaticContact CD2-CZ 3.99Å; Y58-F70 HydrophobicContact CD2-CZ 3.99Å; Y58-F70 AromaticContact CE2-CE2 3.89Å; Y58-F70 HydrophobicContact CE2-CE2 3.89Å; Y58-F70 HydrophobicContact CE2-CZ 4.47Å
71R97.3Very high97.7Very high101 Ų10176.2 Ų76.238%0.38144%0.441SS..  trans-117.1174.7177.7-60.3176.7-179.2167.1-2.1110D12 N15D12-R71 IonicContact OD1-NH1 3.31Å; D12-R71 PolarHBondContact OD1-NH1 3.09Å; N15-R71 WeakPolarHBondContact OD1-CA 3.47Å; N15-R71 PolarHBondContact OD1-N 3.42Å; N15-R71 PolarHBondContact OD1-O 3.35Å
72A97.9Very high97.7Very high94 Ų9478.4 Ų78.478%0.77746%0.456SS*.PPolyproline II helixtrans-62.8140.7172.200000110.3N15N15-A72 PolarHBondContact ND2-O 2.92Å
73V95.8Very high97.6Very high51 Ų5176.7 Ų76.731%0.30945%0.447SS..PPolyproline II helixtrans-99.1127.2173.5178.70000108.2F19 H22F19-V73 HydrophobicContact CB-CG1 3.99Å; F19-V73 HydrophobicContact CD2-CG1 3.97Å; F19-V73 HydrophobicContact CG-CG1 4.5Å; H22-V73 HydrophobicContact CB-CG1 4.16Å
74S94.5Very high97.6Very high88 Ų8872.1 Ų72.162%0.61542%0.422SS*.PPolyproline II helixtrans-66.4147.9177.5-64.30000111.2
75A97.9Very high97.6Very high95 Ų9571.3 Ų71.379%0.78542%0.421SS*.PPolyproline II helixtrans-63129.5172.700000110.1
76P97.9Very high97.7Very high34 Ų3468 Ų6822%0.22139%0.387CS..PPolyproline II helixtrans-75.7168.1177.632.6-36.7000111.7A23 A26A23-P76 HydrophobicContact CB-CB 4Å; A26-P76 HydrophobicContact CB-CB 4.03Å; A26-P76 HydrophobicContact CB-CG 3.54Å
77K98Very high97.7Very high92 Ų9266.9 Ų66.940%0.438%0.378SS..PPolyproline II helixtrans-62.1138.6166.6178.3179.2172.5-177.40109.8D79 F80 E85 D89K77-D79 WeakPolarHBondContact CE-O 3.48Å; K77-F80 HydrophobicContact CB-CZ 4.33Å; K77-F80 HydrophobicContact CD-CD1 4.21Å; K77-F80 HydrophobicContact CD-CE1 3.79Å; K77-F80 HydrophobicContact CD-CZ 4.35Å; K77-F80 HydrophobicContact CG-CE1 4.01Å; K77-F80 HydrophobicContact CG-CZ 4.06Å; K77-F80 WeakPolarHBondContact O-CZ 3.26Å; K77-E85 IonicContact NZ-OE1 3.75Å; K77-E85 PolarHBondContact NZ-OE1 3.3Å; K77-D89 WeakPolarHBondContact CD-OD2 3.47Å; K77-D89 WeakPolarHBondContact CE-OD2 3.49Å; K77-D89 IonicContact NZ-OD1 2.6Å; K77-D89 IonicContact NZ-OD2 2.65Å; K77-D89 PolarHBondContact NZ-OD2 2.75Å
78I97.8Very high97.8Very high115 Ų11566 Ų6659%0.5937%0.373SS*.  trans-121.2-19-178.763.8170.5000114A26A26-I78 HydrophobicContact CB-CG2 4.47Å
79D97.1Very high97.8Very high121 Ų12168 Ų6865%0.64738%0.382SS*.  trans-102.7124.3-179.1-68.3-50.4000109.8K77K77-D79 WeakPolarHBondContact CE-O 3.48Å
80F98.2Very high97.8Very high21 Ų2163.2 Ų63.29%0.09236%0.36CS..  trans-131.3141.8177.5-52.2-91.5000109.1M27 Y30 K77 T86 D89M27-F80 HydrophobicContact CE-CE1 4.41Å; M27-F80 HydrophobicContact CG-CE1 4.1Å; M27-F80 HydrophobicContact CG-CE2 4.25Å; M27-F80 HydrophobicContact CG-CZ 3.62Å; Y30-F80 HydrophobicContact CD1-CB 4.19Å; Y30-F80 HydrophobicContact CD1-CD2 4.08Å; Y30-F80 HydrophobicContact CD1-CG 4.41Å; Y30-F80 HydrophobicContact CD2-CB 4.02Å; Y30-F80 AromaticContact CD2-CD2 3.88Å; Y30-F80 HydrophobicContact CD2-CD2 3.88Å; Y30-F80 HydrophobicContact CD2-CG 4.45Å; Y30-F80 HydrophobicContact CE1-CB 4.04Å; Y30-F80 HydrophobicContact CE2-CB 3.86Å; Y30-F80 VanDerWaalsContact CE2-O 3.23Å; Y30-F80 WeakPolarHBondContact CE2-O 3.45Å; Y30-F80 HydrophobicContact CG-CB 4.18Å; Y30-F80 AromaticContact CG-CD2 3.59Å; Y30-F80 HydrophobicContact CG-CD2 3.59Å; Y30-F80 HydrophobicContact CG-CE2 4.42Å; Y30-F80 HydrophobicContact CG-CG 4.27Å; K77-F80 HydrophobicContact CB-CZ 4.33Å; K77-F80 HydrophobicContact CD-CD1 4.21Å; K77-F80 HydrophobicContact CD-CE1 3.79Å; K77-F80 HydrophobicContact CD-CZ 4.35Å; K77-F80 HydrophobicContact CG-CE1 4.01Å; K77-F80 HydrophobicContact CG-CZ 4.06Å; K77-F80 WeakPolarHBondContact O-CZ 3.26Å; F80-T86 HydrophobicContact CB-CG2 3.96Å; F80-T86 HydrophobicContact CD1-CG2 3.82Å; F80-T86 HydrophobicContact CD2-CG2 4.21Å; F80-T86 HydrophobicContact CE1-CG2 4.36Å; F80-T86 HydrophobicContact CG-CG2 3.74Å; F80-D89 WeakPolarHBondContact CE1-OD2 3.42Å
81S97.4Very high97.8Very high100 Ų10058.8 Ų58.870%0.69934%0.341SS*.SBendtrans-82-21.4179.569.30000113.3E85S81-E85 WeakPolarHBondContact CA-OE2 3.16Å; S81-E85 WeakPolarHBondContact CB-OE2 3.48Å; S81-E85 PolarHBondContact N-OE2 3.41Å; S81-E85 PolarHBondContact OG-OE2 3.04Å
82S97.5Very high97.9Very high45 Ų4557.5 Ų57.532%0.31535%0.348SS..  trans-163.6161.8-179.960.60000111.8Y30 L84 E85 T86Y30-S82 WeakPolarHBondContact OH-CA 3.25Å; Y30-S82 PolarHBondContact OH-N 3.09Å; S82-L84 PolarHBondContact O-N 3.1Å; S82-E85 WeakPolarHBondContact O-CB 3.38Å; S82-E85 PolarHBondContact O-N 3.15Å; S82-E85 VanDerWaalsContact O-N 3.09Å; S82-E85 PolarHBondContact OG-N 2.99Å; S82-E85 VanDerWaalsContact OG-N 3.15Å; S82-T86 PolarHBondContact O-N 3.01Å
83I97.7Very high97.9Very high16 Ų1654.1 Ų54.18%0.08232%0.316CS..Hα-helixtrans-57.2-38168.7-169.664.3000111.6C31 Y36 F39 F43 E85 T86 F87 L141C31-I83 VanDerWaalsContact SG-CD1 3.54Å; Y36-I83 HydrophobicContact CE2-CB 4.35Å; F39-I83 HydrophobicContact CB-CD1 3.76Å; F39-I83 HydrophobicContact CD1-CD1 3.72Å; F39-I83 HydrophobicContact CD1-CG1 3.7Å; F39-I83 HydrophobicContact CD2-CD1 4.33Å; F39-I83 HydrophobicContact CD2-CG1 4.32Å; F39-I83 HydrophobicContact CE1-CD1 4.35Å; F39-I83 HydrophobicContact CE1-CG1 3.8Å; F39-I83 HydrophobicContact CE2-CG1 4.41Å; F39-I83 HydrophobicContact CG-CD1 3.69Å; F39-I83 HydrophobicContact CG-CG1 3.96Å; F39-I83 HydrophobicContact CZ-CG1 4.17Å; F43-I83 HydrophobicContact CE2-CD1 4.36Å; I83-E85 VanDerWaalsContact C-N 3.27Å; I83-E85 PolarHBondContact O-N 3.17Å; I83-T86 PolarHBondContact O-N 3.37Å; I83-T86 VanDerWaalsContact O-N 3.11Å; I83-T86 PolarHBondContact O-OG1 3.12Å; I83-F87 HydrophobicContact CD1-CE2 4.12Å; I83-F87 HydrophobicContact CG1-CD2 4.37Å; I83-F87 HydrophobicContact CG1-CE2 4.11Å; I83-F87 WeakPolarHBondContact O-CD2 3.41Å; I83-F87 PolarHBondContact O-N 3.27Å; I83-L141 HydrophobicContact CG2-CD2 4.32Å
84L98.3Very high98.1Very high41 Ų4151.7 Ų51.722%0.21530%0.301CS..Hα-helixtrans-61.1-34.3176.8177.761.7000112.7S82 K88 I138 L141S82-L84 PolarHBondContact O-N 3.1Å; L84-K88 HydrophobicContact CG-CD 4.38Å; L84-K88 WeakPolarHBondContact O-CG 3.49Å; L84-K88 PolarHBondContact O-N 3Å; L84-K88 VanDerWaalsContact O-N 3.16Å; L84-I138 HydrophobicContact CD1-CG2 4.25Å; L84-L141 HydrophobicContact CD1-CB 3.82Å; L84-L141 HydrophobicContact CD1-CD1 4.39Å
85E98.5Very high98.3Very high45 Ų4551.8 Ų51.821%0.2129%0.292CS..Hα-helixtrans-65.7-40.7175.5-175.3178.4-179.300111.6K77 S81 S82 I83 F87 K88 D89K77-E85 IonicContact NZ-OE1 3.75Å; K77-E85 PolarHBondContact NZ-OE1 3.3Å; S81-E85 WeakPolarHBondContact CA-OE2 3.16Å; S81-E85 WeakPolarHBondContact CB-OE2 3.48Å; S81-E85 PolarHBondContact N-OE2 3.41Å; S81-E85 PolarHBondContact OG-OE2 3.04Å; S82-E85 WeakPolarHBondContact O-CB 3.38Å; S82-E85 PolarHBondContact O-N 3.15Å; S82-E85 VanDerWaalsContact O-N 3.09Å; S82-E85 PolarHBondContact OG-N 2.99Å; S82-E85 VanDerWaalsContact OG-N 3.15Å; I83-E85 VanDerWaalsContact C-N 3.27Å; I83-E85 PolarHBondContact O-N 3.17Å; E85-F87 VanDerWaalsContact C-N 3.27Å; E85-F87 PolarHBondContact O-N 3.03Å; E85-K88 PolarHBondContact O-N 2.94Å; E85-K88 VanDerWaalsContact O-N 3.11Å; E85-D89 PolarHBondContact O-N 3.27Å
86T98.7Very high98.3Very high0 Ų049.9 Ų49.90%027%0.267CS..Hα-helixtrans-57-42178.468.30000111.7Y30 F43 F80 S82 I83 S90Y30-T86 HydrophobicContact CD1-CG2 3.63Å; Y30-T86 HydrophobicContact CE1-CG2 3.77Å; F43-T86 WeakPolarHBondContact CE2-OG1 3.3Å; F43-T86 VanDerWaalsContact CZ-OG1 3.32Å; F43-T86 WeakPolarHBondContact CZ-OG1 3.48Å; F80-T86 HydrophobicContact CB-CG2 3.96Å; F80-T86 HydrophobicContact CD1-CG2 3.82Å; F80-T86 HydrophobicContact CD2-CG2 4.21Å; F80-T86 HydrophobicContact CE1-CG2 4.36Å; F80-T86 HydrophobicContact CG-CG2 3.74Å; S82-T86 PolarHBondContact O-N 3.01Å; I83-T86 PolarHBondContact O-N 3.37Å; I83-T86 VanDerWaalsContact O-N 3.11Å; I83-T86 PolarHBondContact O-OG1 3.12Å; T86-S90 WeakPolarHBondContact O-CB 3.48Å; T86-S90 PolarHBondContact O-N 3.3Å; T86-S90 PolarHBondContact O-OG 2.94Å
87F98.8Very high98.4Very high0 Ų048.2 Ų48.20%026%0.256CS..Hα-helixtrans-71.4-34.5177.2-78.9-94.8000113.2F39 F42 F43 I83 E85 S90 L91 F134 H137 I138 L141 L158F39-F87 AromaticContact CD1-CE2 3.64Å; F39-F87 HydrophobicContact CD1-CE2 3.64Å; F39-F87 AromaticContact CD1-CZ 3.91Å; F39-F87 HydrophobicContact CD1-CZ 3.91Å; F39-F87 AromaticContact CE1-CE2 3.96Å; F39-F87 HydrophobicContact CE1-CE2 3.96Å; F39-F87 HydrophobicContact CE1-CZ 4.25Å; F42-F87 HydrophobicContact CD1-CE1 4.17Å; F42-F87 HydrophobicContact CD1-CZ 4.01Å; F42-F87 AromaticContact CE1-CE1 3.69Å; F42-F87 HydrophobicContact CE1-CE1 3.69Å; F42-F87 HydrophobicContact CE1-CZ 4.01Å; F42-F87 HydrophobicContact CZ-CE1 4.04Å; F43-F87 HydrophobicContact CE2-CE2 4.08Å; F43-F87 HydrophobicContact CZ-CD2 4.02Å; F43-F87 AromaticContact CZ-CE2 3.81Å; F43-F87 HydrophobicContact CZ-CE2 3.81Å; F43-F87 HydrophobicContact CZ-CZ 4.12Å; I83-F87 HydrophobicContact CD1-CE2 4.12Å; I83-F87 HydrophobicContact CG1-CD2 4.37Å; I83-F87 HydrophobicContact CG1-CE2 4.11Å; I83-F87 WeakPolarHBondContact O-CD2 3.41Å; I83-F87 PolarHBondContact O-N 3.27Å; E85-F87 VanDerWaalsContact C-N 3.27Å; E85-F87 PolarHBondContact O-N 3.03Å; F87-S90 WeakPolarHBondContact O-CB 3.28Å; F87-S90 PolarHBondContact O-N 3.11Å; F87-L91 PolarHBondContact O-N 2.6Å; F87-F134 AromaticContact CD1-CD1 3.92Å; F87-F134 HydrophobicContact CD1-CD1 3.92Å; F87-F134 HydrophobicContact CD1-CE1 4.25Å; F87-F134 HydrophobicContact CE1-CD1 4.5Å; F87-H137 HydrophobicContact CD1-CB 3.31Å; F87-H137 AromaticContact CD1-CG 3.96Å; F87-H137 HydrophobicContact CE1-CB 3.41Å; F87-H137 VanDerWaalsContact CE1-CB 3.41Å; F87-H137 AromaticContact CE1-CD2 3.73Å; F87-H137 AromaticContact CE1-CG 3.56Å; F87-H137 HydrophobicContact CG-CB 4.27Å; F87-H137 HydrophobicContact CZ-CB 4.42Å; F87-I138 HydrophobicContact CB-CG1 3.86Å; F87-L141 HydrophobicContact CB-CD1 4.22Å; F87-L141 HydrophobicContact CD2-CD1 3.43Å; F87-L141 VanDerWaalsContact CD2-CD1 3.43Å; F87-L141 HydrophobicContact CE2-CD1 3.88Å; F87-L141 HydrophobicContact CG-CD1 3.8Å; F87-L158 HydrophobicContact CZ-CD1 4.15Å
88K98.8Very high98.4Very high108 Ų10844.2 Ų44.247%0.4724%0.239SC..Hα-helixtrans-67.5-41.7174.4-74.2176.8177.1178.10112L84 E85 S90 L91 S92 I138L84-K88 HydrophobicContact CG-CD 4.38Å; L84-K88 WeakPolarHBondContact O-CG 3.49Å; L84-K88 PolarHBondContact O-N 3Å; L84-K88 VanDerWaalsContact O-N 3.16Å; E85-K88 PolarHBondContact O-N 2.94Å; E85-K88 VanDerWaalsContact O-N 3.11Å; K88-S90 VanDerWaalsContact C-N 3.29Å; K88-L91 PolarHBondContact O-N 3.46Å; K88-S92 PolarHBondContact O-N 2.96Å; K88-I138 HydrophobicContact CG-CD1 4.09Å; K88-I138 HydrophobicContact CG-CG1 4.24Å
89D98.8Very high98.4Very high46 Ų4645.7 Ų45.725%0.24624%0.237CC..Hα-helixtrans-63.9-38.7174-75-1.4000110.7M27 K77 F80 E85 S92 Q93M27-D89 HydrophobicContact CE-CB 3.95Å; K77-D89 WeakPolarHBondContact CD-OD2 3.47Å; K77-D89 WeakPolarHBondContact CE-OD2 3.49Å; K77-D89 IonicContact NZ-OD1 2.6Å; K77-D89 IonicContact NZ-OD2 2.65Å; K77-D89 PolarHBondContact NZ-OD2 2.75Å; F80-D89 WeakPolarHBondContact CE1-OD2 3.42Å; E85-D89 PolarHBondContact O-N 3.27Å; D89-S92 PolarHBondContact O-N 2.87Å; D89-Q93 WeakPolarHBondContact O-CB 3.45Å; D89-Q93 PolarHBondContact O-N 2.92Å
90S98.9Very high98.5Very high0 Ų042.8 Ų42.80%022%0.217CC..Hα-helixtrans-61.9-48.3174.7-53.90000111.8Y24 M27 F43 T86 F87 K88 S92 Q93 E94 F134Y24-S90 WeakPolarHBondContact CE1-OG 3.43Å; M27-S90 PolarHBondContact SD-OG 3.07Å; F43-S90 WeakPolarHBondContact CE1-OG 3.42Å; T86-S90 WeakPolarHBondContact O-CB 3.48Å; T86-S90 PolarHBondContact O-N 3.3Å; T86-S90 PolarHBondContact O-OG 2.94Å; F87-S90 WeakPolarHBondContact O-CB 3.28Å; F87-S90 PolarHBondContact O-N 3.11Å; K88-S90 VanDerWaalsContact C-N 3.29Å; S90-S92 VanDerWaalsContact C-N 3.29Å; S90-S92 PolarHBondContact O-N 2.72Å; S90-Q93 WeakPolarHBondContact O-CA 3.36Å; S90-Q93 VanDerWaalsContact O-CB 3.31Å; S90-Q93 WeakPolarHBondContact O-CB 3.42Å; S90-Q93 PolarHBondContact O-N 2.78Å; S90-E94 PolarHBondContact O-N 2.92Å; S90-F134 VanDerWaalsContact CB-CD1 3.44Å
91L98.9Very high98.5Very high22 Ų2241.8 Ų41.812%0.11521%0.213CC..Hα-helixtrans-59.4-41.3175.5179.760.8000111.9F87 K88 Q93 E94 Q95 E131 F134 E135 I138F87-L91 PolarHBondContact O-N 2.6Å; K88-L91 PolarHBondContact O-N 3.46Å; L91-Q93 VanDerWaalsContact C-N 3.27Å; L91-Q93 PolarHBondContact O-N 2.91Å; L91-E94 PolarHBondContact O-N 3.13Å; L91-Q95 HydrophobicContact CD1-CG 4.32Å; L91-Q95 WeakPolarHBondContact O-CB 3.42Å; L91-Q95 VanDerWaalsContact O-CG 3.3Å; L91-Q95 WeakPolarHBondContact O-CG 3.32Å; L91-Q95 PolarHBondContact O-N 3.46Å; L91-E131 HydrophobicContact CD1-CB 4.21Å; L91-E131 HydrophobicContact CD1-CG 4.33Å; L91-F134 HydrophobicContact CB-CB 4.03Å; L91-F134 HydrophobicContact CD1-CB 4.11Å; L91-E135 HydrophobicContact CD1-CG 3.97Å; L91-E135 HydrophobicContact CD2-CG 3.74Å; L91-I138 HydrophobicContact CB-CD1 3.77Å; L91-I138 HydrophobicContact CD2-CD1 3.6Å; L91-I138 HydrophobicContact CG-CD1 4.33Å
92S98.8Very high98.6Very high74 Ų7442.8 Ų42.852%0.51720%0.202SC..Hα-helixtrans-65.5-32.6176.4-176.10000112.5K88 D89 S90 E96K88-S92 PolarHBondContact O-N 2.96Å; D89-S92 PolarHBondContact O-N 2.87Å; S90-S92 VanDerWaalsContact C-N 3.29Å; S90-S92 PolarHBondContact O-N 2.72Å; S92-E96 PolarHBondContact O-N 3.5Å
93Q98.6Very high98.7Very high22 Ų2244.7 Ų44.710%0.10321%0.209CC..Hα-helixtrans-66.4-49173-176.5-177.5-82.800110.1Y24 D89 S90 L91 Q95 E96 V97Y24-Q93 VanDerWaalsContact CZ-NE2 3.28Å; Y24-Q93 PolarHBondContact OH-NE2 2.9Å; D89-Q93 WeakPolarHBondContact O-CB 3.45Å; D89-Q93 PolarHBondContact O-N 2.92Å; S90-Q93 WeakPolarHBondContact O-CA 3.36Å; S90-Q93 VanDerWaalsContact O-CB 3.31Å; S90-Q93 WeakPolarHBondContact O-CB 3.42Å; S90-Q93 PolarHBondContact O-N 2.78Å; L91-Q93 VanDerWaalsContact C-N 3.27Å; L91-Q93 PolarHBondContact O-N 2.91Å; Q93-Q95 VanDerWaalsContact C-N 3.34Å; Q93-Q95 PolarHBondContact O-N 2.97Å; Q93-E96 WeakPolarHBondContact O-CA 3.48Å; Q93-E96 VanDerWaalsContact O-CB 3.29Å; Q93-E96 WeakPolarHBondContact O-CB 3.45Å; Q93-E96 PolarHBondContact O-N 2.93Å; Q93-V97 WeakPolarHBondContact O-CG2 3.15Å; Q93-V97 PolarHBondContact O-N 3.22Å
94E98.8Very high98.7Very high0 Ų044 Ų440%021%0.206CC..Hα-helixtrans-66.6-34.4-178.1-61.7-40131.700113.7Y24 S90 L91 E96 V97 T98 Q127 E130 E131 F134Y24-E94 WeakPolarHBondContact CE2-OE1 3.45Å; Y24-E94 PolarHBondContact OH-OE1 3.18Å; S90-E94 PolarHBondContact O-N 2.92Å; L91-E94 PolarHBondContact O-N 3.13Å; E94-E96 PolarHBondContact O-N 3.33Å; E94-V97 WeakPolarHBondContact O-CB 3.44Å; E94-V97 PolarHBondContact O-N 2.9Å; E94-V97 VanDerWaalsContact O-N 3.15Å; E94-V97 WeakPolarHBondContact OE2-CG2 3.16Å; E94-T98 PolarHBondContact O-N 3.41Å; E94-T98 PolarHBondContact O-OG1 3.12Å; E94-Q127 PolarHBondContact O-NE2 3.08Å; E94-Q127 PolarHBondContact OE2-NE2 3.06Å; E94-E130 VanDerWaalsContact CD-OE2 3.29Å; E94-E130 HydrophobicContact CG-CB 4.41Å; E94-E130 VanDerWaalsContact OE2-OE2 3.06Å; E94-E131 HydrophobicContact CB-CG 4.21Å; E94-F134 HydrophobicContact CG-CD2 3.75Å; E94-F134 HydrophobicContact CG-CE2 3.71Å
95Q98.8Very high98.7Very high90 Ų9042.5 Ų42.542%0.42120%0.198SC..Hα-helixtrans-62.2-32171-73.4174.9-16.400112.7L91 Q93 R99 E131L91-Q95 HydrophobicContact CD1-CG 4.32Å; L91-Q95 WeakPolarHBondContact O-CB 3.42Å; L91-Q95 VanDerWaalsContact O-CG 3.3Å; L91-Q95 WeakPolarHBondContact O-CG 3.32Å; L91-Q95 PolarHBondContact O-N 3.46Å; Q93-Q95 VanDerWaalsContact C-N 3.34Å; Q93-Q95 PolarHBondContact O-N 2.97Å; Q95-R99 WeakPolarHBondContact O-CB 3.49Å; Q95-R99 PolarHBondContact O-N 3.35Å; Q95-R99 VanDerWaalsContact O-N 3.12Å; Q95-E131 HydrophobicContact CG-CG 4.29Å
96E98.6Very high98.7Very high55 Ų5544.7 Ų44.726%0.25721%0.209SC..Hα-helixtrans-72-41.7173.2170.861.6-169.200111.4S92 Q93 E94 R99 R100S92-E96 PolarHBondContact O-N 3.5Å; Q93-E96 WeakPolarHBondContact O-CA 3.48Å; Q93-E96 VanDerWaalsContact O-CB 3.29Å; Q93-E96 WeakPolarHBondContact O-CB 3.45Å; Q93-E96 PolarHBondContact O-N 2.93Å; E94-E96 PolarHBondContact O-N 3.33Å; E96-R99 PolarHBondContact O-N 3.45Å; E96-R99 IonicContact OE1-CZ 3.16Å; E96-R99 IonicContact OE1-NE 2.78Å; E96-R99 IonicContact OE1-NH2 2.75Å; E96-R99 PolarHBondContact OE1-NH2 2.93Å; E96-R99 IonicContact OE2-CZ 2.92Å; E96-R99 IonicContact OE2-NE 2.72Å; E96-R99 PolarHBondContact OE2-NE 3.07Å; E96-R99 IonicContact OE2-NH2 3.71Å; E96-R99 PolarHBondContact OE2-NH2 3.24Å; E96-R100 VanDerWaalsContact O-CG 3.26Å; E96-R100 WeakPolarHBondContact O-CG 3.31Å; E96-R100 PolarHBondContact O-N 3.11Å; E96-R100 IonicContact OE1-CZ 3.75Å; E96-R100 IonicContact OE1-NE 2.95Å; E96-R100 PolarHBondContact OE1-NE 3.42Å; E96-R100 IonicContact OE1-NH2 3.86Å
97V98.7Very high98.7Very high0 Ų045.3 Ų45.30%021%0.212CC..Hα-helixtrans-58.1-48.8173.6177.70000110.3Q93 E94 R99 R100 F101 Q127Q93-V97 WeakPolarHBondContact O-CG2 3.15Å; Q93-V97 PolarHBondContact O-N 3.22Å; E94-V97 WeakPolarHBondContact O-CB 3.44Å; E94-V97 PolarHBondContact O-N 2.9Å; E94-V97 VanDerWaalsContact O-N 3.15Å; E94-V97 WeakPolarHBondContact OE2-CG2 3.16Å; V97-R99 PolarHBondContact O-N 3.47Å; V97-R100 WeakPolarHBondContact O-CA 3.47Å; V97-R100 WeakPolarHBondContact O-CB 3.45Å; V97-R100 PolarHBondContact O-N 2.79Å; V97-F101 HydrophobicContact CG1-CD2 3.76Å; V97-F101 HydrophobicContact CG1-CE2 3.54Å; V97-F101 WeakPolarHBondContact O-CD2 3.47Å; V97-F101 PolarHBondContact O-N 2.58Å; V97-Q127 VanDerWaalsContact CG1-CD 3.49Å; V97-Q127 HydrophobicContact CG1-CG 4.37Å; V97-Q127 VanDerWaalsContact CG1-NE2 3.3Å
98T98.8Very high98.7Very high8 Ų845.3 Ų45.35%0.04921%0.212CC..Hα-helixtrans-55.4-48175.1-58.40000112.4E94 R100 F101 Y102 Q127 E131E94-T98 PolarHBondContact O-N 3.41Å; E94-T98 PolarHBondContact O-OG1 3.12Å; T98-R100 PolarHBondContact O-N 3.31Å; T98-F101 PolarHBondContact O-N 2.99Å; T98-F101 VanDerWaalsContact O-N 3.17Å; T98-Y102 HydrophobicContact CG2-CD2 4.32Å; T98-Y102 HydrophobicContact CG2-CE1 4.04Å; T98-Y102 HydrophobicContact CG2-CE2 3.67Å; T98-Y102 PolarHBondContact O-N 2.88Å; T98-Q127 HydrophobicContact CG2-CB 4.42Å; T98-Q127 WeakPolarHBondContact OG1-CB 3.31Å; T98-Q127 WeakPolarHBondContact OG1-CG 3.46Å; T98-Q127 PolarHBondContact OG1-NE2 3.34Å; T98-E131 WeakPolarHBondContact CB-OE1 3.36Å; T98-E131 WeakPolarHBondContact CG2-OE1 3.47Å; T98-E131 PolarHBondContact OG1-OE1 3.48Å
99R98.8Very high98.7Very high145 Ų14547.6 Ų47.655%0.54722%0.218SC..Hα-helixtrans-60.2-36.5177.6-172.6-176.770.387.4-0111.8Q95 E96 V97 N103Q95-R99 WeakPolarHBondContact O-CB 3.49Å; Q95-R99 PolarHBondContact O-N 3.35Å; Q95-R99 VanDerWaalsContact O-N 3.12Å; E96-R99 PolarHBondContact O-N 3.45Å; E96-R99 IonicContact OE1-CZ 3.16Å; E96-R99 IonicContact OE1-NE 2.78Å; E96-R99 IonicContact OE1-NH2 2.75Å; E96-R99 PolarHBondContact OE1-NH2 2.93Å; E96-R99 IonicContact OE2-CZ 2.92Å; E96-R99 IonicContact OE2-NE 2.72Å; E96-R99 PolarHBondContact OE2-NE 3.07Å; E96-R99 IonicContact OE2-NH2 3.71Å; E96-R99 PolarHBondContact OE2-NH2 3.24Å; V97-R99 PolarHBondContact O-N 3.47Å; R99-N103 PolarHBondContact O-N 2.86Å; R99-N103 VanDerWaalsContact O-N 3.12Å
100R98.8Very high98.7Very high60 Ų6052.4 Ų52.423%0.22624%0.239CC..Hα-helixtrans-70.2-39176.7-68.4165.6157.9-87.2-2.9112D12 H16 E96 V97 T98 N103 L104D12-R100 IonicContact OD2-CZ 3.3Å; D12-R100 IonicContact OD2-NH1 3.85Å; D12-R100 PolarHBondContact OD2-NH1 3.06Å; D12-R100 IonicContact OD2-NH2 3.78Å; H16-R100 VanDerWaalsContact CD2-CD 3.42Å; H16-R100 WeakPolarHBondContact CD2-CD 3.48Å; E96-R100 VanDerWaalsContact O-CG 3.26Å; E96-R100 WeakPolarHBondContact O-CG 3.31Å; E96-R100 PolarHBondContact O-N 3.11Å; E96-R100 IonicContact OE1-CZ 3.75Å; E96-R100 IonicContact OE1-NE 2.95Å; E96-R100 PolarHBondContact OE1-NE 3.42Å; E96-R100 IonicContact OE1-NH2 3.86Å; V97-R100 WeakPolarHBondContact O-CA 3.47Å; V97-R100 WeakPolarHBondContact O-CB 3.45Å; V97-R100 PolarHBondContact O-N 2.79Å; T98-R100 PolarHBondContact O-N 3.31Å; R100-N103 PolarHBondContact O-N 3.34Å; R100-L104 PolarHBondContact O-N 3.38Å
101F98.8Very high98.6Very high0 Ų055.7 Ų55.70%026%0.256CS..Hα-helixtrans-66.3-34.5173.1-80.6-57.9000113.4Q13 E17 I57 V97 T98 L104 S105 L120 F123 L124 Q127Q13-F101 HydrophobicContact CG-CD1 4.38Å; Q13-F101 HydrophobicContact CG-CE1 3.77Å; Q13-F101 HydrophobicContact CG-CE2 4.49Å; Q13-F101 HydrophobicContact CG-CZ 3.82Å; E17-F101 VanDerWaalsContact OE1-CE2 3.25Å; E17-F101 WeakPolarHBondContact OE1-CE2 3.44Å; E17-F101 WeakPolarHBondContact OE1-CZ 3.47Å; I57-F101 HydrophobicContact CD1-CE1 4.28Å; I57-F101 HydrophobicContact CD1-CZ 4.16Å; V97-F101 HydrophobicContact CG1-CD2 3.76Å; V97-F101 HydrophobicContact CG1-CE2 3.54Å; V97-F101 WeakPolarHBondContact O-CD2 3.47Å; V97-F101 PolarHBondContact O-N 2.58Å; T98-F101 PolarHBondContact O-N 2.99Å; T98-F101 VanDerWaalsContact O-N 3.17Å; F101-L104 HydrophobicContact CD1-CD1 4.16Å; F101-L104 HydrophobicContact CE1-CD1 4.38Å; F101-L104 PolarHBondContact O-N 3.04Å; F101-S105 WeakPolarHBondContact O-CB 3.45Å; F101-S105 PolarHBondContact O-N 3.33Å; F101-S105 PolarHBondContact O-OG 3.3Å; F101-L120 HydrophobicContact CD1-CD2 3.93Å; F101-L120 HydrophobicContact CE1-CD2 4.15Å; F101-F123 HydrophobicContact CD1-CB 3.82Å; F101-F123 HydrophobicContact CD1-CG 4.19Å; F101-F123 HydrophobicContact CD2-CB 4.02Å; F101-F123 HydrophobicContact CE1-CB 3.59Å; F101-F123 AromaticContact CE1-CD1 3.65Å; F101-F123 HydrophobicContact CE1-CD1 3.65Å; F101-F123 HydrophobicContact CE1-CD2 4.03Å; F101-F123 HydrophobicContact CE1-CE1 4.29Å; F101-F123 AromaticContact CE1-CG 3.47Å; F101-F123 HydrophobicContact CE1-CG 3.47Å; F101-F123 VanDerWaalsContact CE1-CG 3.47Å; F101-F123 HydrophobicContact CE2-CB 3.8Å; F101-F123 AromaticContact CE2-CD1 3.76Å; F101-F123 HydrophobicContact CE2-CD1 3.76Å; F101-F123 HydrophobicContact CE2-CG 4.07Å; F101-F123 HydrophobicContact CG-CB 4.04Å; F101-F123 HydrophobicContact CZ-CB 3.58Å; F101-F123 AromaticContact CZ-CD1 3.1Å; F101-F123 HydrophobicContact CZ-CD1 3.1Å; F101-F123 HydrophobicContact CZ-CD2 4.33Å; F101-F123 AromaticContact CZ-CE1 3.79Å; F101-F123 HydrophobicContact CZ-CE1 3.79Å; F101-F123 AromaticContact CZ-CG 3.41Å; F101-F123 HydrophobicContact CZ-CG 3.41Å; F101-F123 VanDerWaalsContact CZ-CG 3.41Å; F101-L124 HydrophobicContact CB-CD2 4.09Å; F101-Q127 HydrophobicContact CD2-CG 3.89Å; F101-Q127 HydrophobicContact CE2-CG 4.41Å
102Y98.7Very high98.6Very high122 Ų12261.6 Ų61.648%0.47828%0.281SS..Hα-helixtrans-60-50.8169-66.6-19.5000111.2T98 L104 S105 E106 L124T98-Y102 HydrophobicContact CG2-CD2 4.32Å; T98-Y102 HydrophobicContact CG2-CE1 4.04Å; T98-Y102 HydrophobicContact CG2-CE2 3.67Å; T98-Y102 PolarHBondContact O-N 2.88Å; Y102-L104 VanDerWaalsContact C-N 3.33Å; Y102-L104 PolarHBondContact O-N 3.38Å; Y102-S105 CarbonylContact O-C 3.58Å; Y102-S105 WeakPolarHBondContact O-CA 3.46Å; Y102-S105 VanDerWaalsContact O-CB 3.3Å; Y102-S105 WeakPolarHBondContact O-CB 3.49Å; Y102-S105 PolarHBondContact O-N 3.04Å; Y102-E106 PolarHBondContact O-N 2.97Å; Y102-L124 HydrophobicContact CD1-CD2 3.67Å; Y102-L124 HydrophobicContact CE1-CD2 3.76Å
103N98.6Very high98.6Very high84 Ų8459 Ų5945%0.44926%0.261SS..Hα-helixtrans-57.1-44.6176.8179.271.4000112.5R99 R100 S105 E106 I107R99-N103 PolarHBondContact O-N 2.86Å; R99-N103 VanDerWaalsContact O-N 3.12Å; R100-N103 PolarHBondContact O-N 3.34Å; N103-S105 VanDerWaalsContact C-N 3.31Å; N103-S105 PolarHBondContact O-N 2.9Å; N103-E106 WeakPolarHBondContact CA-OE2 3.29Å; N103-E106 PolarHBondContact N-OE2 3.26Å; N103-E106 PolarHBondContact O-N 3.38Å; N103-I107 WeakPolarHBondContact O-CG1 3.41Å; N103-I107 PolarHBondContact O-N 2.97Å
104L98.7Very high98.6Very high3 Ų366 Ų662%0.01629%0.288CS..Hα-helixtrans-58.6-42.6173.5-100.2162.9000112.4L6 A9 L10 Q13 R100 F101 Y102 E106 I107 A108 L120L6-L104 HydrophobicContact CD1-CD2 4.01Å; A9-L104 HydrophobicContact CB-CD2 3.77Å; A9-L104 HydrophobicContact CB-CG 4.23Å; L10-L104 HydrophobicContact CD2-CD2 3.77Å; L10-L104 HydrophobicContact CG-CD2 3.84Å; Q13-L104 HydrophobicContact CB-CD1 3.44Å; Q13-L104 VanDerWaalsContact CB-CD1 3.44Å; Q13-L104 HydrophobicContact CG-CD1 3.68Å; R100-L104 PolarHBondContact O-N 3.38Å; F101-L104 HydrophobicContact CD1-CD1 4.16Å; F101-L104 HydrophobicContact CE1-CD1 4.38Å; F101-L104 PolarHBondContact O-N 3.04Å; Y102-L104 VanDerWaalsContact C-N 3.33Å; Y102-L104 PolarHBondContact O-N 3.38Å; L104-E106 VanDerWaalsContact C-N 3.35Å; L104-I107 PolarHBondContact O-N 2.52Å; L104-A108 WeakPolarHBondContact O-CB 3.45Å; L104-A108 PolarHBondContact O-N 3.47Å; L104-L120 HydrophobicContact CB-CD1 3.98Å; L104-L120 HydrophobicContact CB-CD2 4.29Å; L104-L120 HydrophobicContact CD1-CD2 4.48Å
105S98.6Very high98.6Very high9 Ų968.3 Ų68.36%0.06331%0.307CS..Hα-helixtrans-65.1-38.2178-62.40000112F101 Y102 N103 R109F101-S105 WeakPolarHBondContact O-CB 3.45Å; F101-S105 PolarHBondContact O-N 3.33Å; F101-S105 PolarHBondContact O-OG 3.3Å; Y102-S105 CarbonylContact O-C 3.58Å; Y102-S105 WeakPolarHBondContact O-CA 3.46Å; Y102-S105 VanDerWaalsContact O-CB 3.3Å; Y102-S105 WeakPolarHBondContact O-CB 3.49Å; Y102-S105 PolarHBondContact O-N 3.04Å; N103-S105 VanDerWaalsContact C-N 3.31Å; N103-S105 PolarHBondContact O-N 2.9Å; S105-R109 WeakPolarHBondContact O-CB 3.39Å; S105-R109 WeakPolarHBondContact O-CG 3.41Å; S105-R109 PolarHBondContact O-N 3.27Å
106E98.6Very high98.5Very high91 Ų9164 Ų6443%0.42529%0.287SS..Hα-helixtrans-65.6-45174.2-77.3122.1-170.500112.3Y102 N103 L104 R109 Q110Y102-E106 PolarHBondContact O-N 2.97Å; N103-E106 WeakPolarHBondContact CA-OE2 3.29Å; N103-E106 PolarHBondContact N-OE2 3.26Å; N103-E106 PolarHBondContact O-N 3.38Å; L104-E106 VanDerWaalsContact C-N 3.35Å; E106-R109 PolarHBondContact O-N 3.11Å; E106-Q110 VanDerWaalsContact O-CG 3.29Å; E106-Q110 WeakPolarHBondContact O-CG 3.49Å; E106-Q110 PolarHBondContact O-N 3.38Å
107I98.6Very high98.5Very high13 Ų1363.3 Ų63.37%0.06728%0.284CS..Hα-helixtrans-60.8-48175.9-62.4167.9000110.2N5 L6 A9 N103 L104 R109 Q110 D111N5-I107 WeakPolarHBondContact ND2-CG2 3.41Å; L6-I107 HydrophobicContact CB-CG2 4.06Å; L6-I107 HydrophobicContact CD1-CB 4.33Å; L6-I107 HydrophobicContact CD1-CG2 3.93Å; A9-I107 HydrophobicContact CB-CD1 3.82Å; N103-I107 WeakPolarHBondContact O-CG1 3.41Å; N103-I107 PolarHBondContact O-N 2.97Å; L104-I107 PolarHBondContact O-N 2.52Å; I107-R109 VanDerWaalsContact C-N 3.29Å; I107-R109 PolarHBondContact O-N 2.85Å; I107-Q110 PolarHBondContact O-N 3.31Å; I107-D111 PolarHBondContact O-N 3.12Å
108A98.6Very high98.5Very high0 Ų067.2 Ų67.20%031%0.311CS..Hα-helixtrans-60.3-38.3179.100000112.5L6 L104 K112 D113 T116 I117 L120L6-A108 HydrophobicContact CD1-CB 4.19Å; L6-A108 HydrophobicContact CD2-CB 4.49Å; L104-A108 WeakPolarHBondContact O-CB 3.45Å; L104-A108 PolarHBondContact O-N 3.47Å; A108-K112 PolarHBondContact O-N 3.41Å; A108-K112 VanDerWaalsContact O-N 3.09Å; A108-D113 PolarHBondContact O-N 3.48Å; A108-T116 HydrophobicContact CB-CG2 4.01Å; A108-I117 HydrophobicContact CB-CG1 3.89Å; A108-L120 HydrophobicContact CB-CD1 4.23Å
109R98.3Very high98.5Very high156 Ų15668.2 Ų68.259%0.58932%0.315SS*.Hα-helixtrans-66.4-43.4174.3-76.7172.3-179.7173.23.1112.5S105 E106 I107 D111 K112 I117S105-R109 WeakPolarHBondContact O-CB 3.39Å; S105-R109 WeakPolarHBondContact O-CG 3.41Å; S105-R109 PolarHBondContact O-N 3.27Å; E106-R109 PolarHBondContact O-N 3.11Å; I107-R109 VanDerWaalsContact C-N 3.29Å; I107-R109 PolarHBondContact O-N 2.85Å; R109-D111 VanDerWaalsContact C-N 3.31Å; R109-D111 PolarHBondContact O-N 3.48Å; R109-K112 PolarHBondContact O-N 3.28Å; R109-K112 VanDerWaalsContact O-N 3.16Å; R109-I117 HydrophobicContact CG-CD1 3.88Å; R109-I117 HydrophobicContact CG-CG1 4.19Å
110Q98.3Very high98.5Very high147 Ų14761.4 Ų61.469%0.68729%0.289SS*.Hα-helixtrans-61.1-42176.5-72.7172.26.800111.4E106 I107 K112E106-Q110 VanDerWaalsContact O-CG 3.29Å; E106-Q110 WeakPolarHBondContact O-CG 3.49Å; E106-Q110 PolarHBondContact O-N 3.38Å; I107-Q110 PolarHBondContact O-N 3.31Å; Q110-K112 PolarHBondContact O-N 3.04Å
111D98.2Very high98.5Very high69 Ų6962.2 Ų62.237%0.36930%0.298SS..THydrogen-bonded Turntrans-76.5-8.2178.3-73.8-6.5000113.5S3 I107 R109 D113S3-D111 WeakPolarHBondContact CB-OD2 3.42Å; S3-D111 PolarHBondContact OG-OD2 2.89Å; I107-D111 PolarHBondContact O-N 3.12Å; R109-D111 VanDerWaalsContact C-N 3.31Å; R109-D111 PolarHBondContact O-N 3.48Å; D111-D113 HydrophobicContact CB-CB 4.47Å; D111-D113 PolarHBondContact O-N 3.36Å
112K98.2Very high98.5Very high146 Ų14666 Ų6664%0.63531%0.313SS*.THydrogen-bonded Turntrans53.133.7-170.7-55.8176.6176.5175.30112.3A108 R109 Q110 Y114A108-K112 PolarHBondContact O-N 3.41Å; A108-K112 VanDerWaalsContact O-N 3.09Å; R109-K112 PolarHBondContact O-N 3.28Å; R109-K112 VanDerWaalsContact O-N 3.16Å; Q110-K112 PolarHBondContact O-N 3.04Å; K112-Y114 VanDerWaalsContact C-N 3.34Å; K112-Y114 HydrophobicContact CB-CE2 4.29Å; K112-Y114 VanDerWaalsContact O-CD2 3.3Å; K112-Y114 WeakPolarHBondContact O-CD2 3.35Å; K112-Y114 WeakPolarHBondContact O-CE2 3.45Å; K112-Y114 PolarHBondContact O-N 3.32Å
113D98.5Very high98.5Very high20 Ų2060.2 Ų60.211%0.10729%0.29CS..  trans-82.681.4176.4-166.4-66.4000109.5L6 R64 A108 D111 A115 T116 I117L6-D113 HydrophobicContact CD2-CB 3.84Å; R64-D113 IonicContact CZ-OD1 3.95Å; R64-D113 IonicContact CZ-OD2 3.59Å; R64-D113 IonicContact NH1-OD1 2.79Å; R64-D113 PolarHBondContact NH1-OD1 2.88Å; R64-D113 IonicContact NH1-OD2 2.83Å; R64-D113 PolarHBondContact NH1-OD2 2.95Å; R64-D113 IonicContact NH2-OD1 3.54Å; R64-D113 PolarHBondContact NH2-OD1 2.81Å; R64-D113 IonicContact NH2-OD2 3.42Å; R64-D113 PolarHBondContact NH2-OD2 3.34Å; A108-D113 PolarHBondContact O-N 3.48Å; D111-D113 HydrophobicContact CB-CB 4.47Å; D111-D113 PolarHBondContact O-N 3.36Å; D113-A115 PolarHBondContact O-N 3.39Å; D113-T116 VanDerWaalsContact CG-OG1 3.25Å; D113-T116 PolarHBondContact O-N 3.39Å; D113-T116 VanDerWaalsContact OD1-CB 3.3Å; D113-T116 WeakPolarHBondContact OD1-CB 3.5Å; D113-T116 PolarHBondContact OD1-N 3.42Å; D113-T116 PolarHBondContact OD1-OG1 3.31Å; D113-I117 WeakPolarHBondContact O-CG1 3.46Å; D113-I117 PolarHBondContact O-N 2.99Å
114Y98.1Very high98.5Very high169 Ų16957.8 Ų57.866%0.66328%0.277SS*.Hα-helixtrans-59.3-30.7-175.7-59.7-68.9000114K112 I117 S118K112-Y114 VanDerWaalsContact C-N 3.34Å; K112-Y114 HydrophobicContact CB-CE2 4.29Å; K112-Y114 VanDerWaalsContact O-CD2 3.3Å; K112-Y114 WeakPolarHBondContact O-CD2 3.35Å; K112-Y114 WeakPolarHBondContact O-CE2 3.45Å; K112-Y114 PolarHBondContact O-N 3.32Å; Y114-I117 HydrophobicContact CD1-CD1 4.19Å; Y114-I117 PolarHBondContact O-N 2.9Å; Y114-S118 WeakPolarHBondContact O-CB 3.34Å; Y114-S118 PolarHBondContact O-N 3.45Å
115A98.5Very high98.5Very high48 Ų4862.9 Ų62.940%0.39730%0.304SS..Hα-helixtrans-64.7-42.4174.900000110.9Y60 D113 S118 F119Y60-A115 PolarHBondContact OH-O 3.14Å; D113-A115 PolarHBondContact O-N 3.39Å; A115-S118 PolarHBondContact O-N 3.16Å; A115-F119 WeakPolarHBondContact O-CB 3.43Å; A115-F119 PolarHBondContact O-N 3.47Å
116T98.7Very high98.5Very high0 Ų063.8 Ų63.80%031%0.307CS..Hα-helixtrans-71.5-38.4177.8-490000111.4L6 L10 Y60 R64 A108 D113 S118 F119 L120L6-T116 HydrophobicContact CD1-CG2 4.11Å; L6-T116 HydrophobicContact CD2-CG2 4.15Å; L6-T116 HydrophobicContact CG-CG2 4.46Å; L10-T116 HydrophobicContact CD1-CG2 4.49Å; L10-T116 HydrophobicContact CD2-CG2 4.44Å; Y60-T116 HydrophobicContact CE1-CG2 4.02Å; Y60-T116 WeakPolarHBondContact OH-CA 3.29Å; Y60-T116 WeakPolarHBondContact OH-CB 3.44Å; Y60-T116 PolarHBondContact OH-N 2.82Å; Y60-T116 PolarHBondContact OH-OG1 3.08Å; R64-T116 PolarHBondContact NH1-OG1 2.8Å; R64-T116 VanDerWaalsContact NH1-OG1 3.15Å; A108-T116 HydrophobicContact CB-CG2 4.01Å; D113-T116 VanDerWaalsContact CG-OG1 3.25Å; D113-T116 PolarHBondContact O-N 3.39Å; D113-T116 VanDerWaalsContact OD1-CB 3.3Å; D113-T116 WeakPolarHBondContact OD1-CB 3.5Å; D113-T116 PolarHBondContact OD1-N 3.42Å; D113-T116 PolarHBondContact OD1-OG1 3.31Å; T116-S118 VanDerWaalsContact C-N 3.29Å; T116-S118 PolarHBondContact O-N 3.3Å; T116-F119 PolarHBondContact O-N 3.17Å; T116-L120 HydrophobicContact CG2-CD1 3.91Å; T116-L120 HydrophobicContact CG2-CG 4.05Å; T116-L120 WeakPolarHBondContact O-CB 3.44Å; T116-L120 WeakPolarHBondContact O-CG 3.11Å; T116-L120 PolarHBondContact O-N 3.26Å
117I98.7Very high98.5Very high40 Ų4059.6 Ų59.621%0.20529%0.288CS..Hα-helixtrans-56.3-46.1171.7-63169000110.5A108 R109 D113 Y114 N121A108-I117 HydrophobicContact CB-CG1 3.89Å; R109-I117 HydrophobicContact CG-CD1 3.88Å; R109-I117 HydrophobicContact CG-CG1 4.19Å; D113-I117 WeakPolarHBondContact O-CG1 3.46Å; D113-I117 PolarHBondContact O-N 2.99Å; Y114-I117 HydrophobicContact CD1-CD1 4.19Å; Y114-I117 PolarHBondContact O-N 2.9Å; I117-N121 PolarHBondContact O-N 2.87Å; I117-N121 PolarHBondContact O-OD1 3.19Å
118S98.5Very high98.5Very high81 Ų8163.7 Ų63.757%0.56631%0.313SS*.Hα-helixtrans-66-39.1177.9-172.50000113Y114 A115 T116Y114-S118 WeakPolarHBondContact O-CB 3.34Å; Y114-S118 PolarHBondContact O-N 3.45Å; A115-S118 PolarHBondContact O-N 3.16Å; T116-S118 VanDerWaalsContact C-N 3.29Å; T116-S118 PolarHBondContact O-N 3.3Å
119F98.7Very high98.5Very high30 Ų3070 Ų7013%0.13234%0.343CS..Hα-helixtrans-64.5-43.3178.5169.5-106.1000112L10 K56 I57 Y60 A115 T116 N121 F123L10-F119 HydrophobicContact CD2-CE1 4.45Å; K56-F119 HydrophobicContact CG-CE2 4.02Å; K56-F119 HydrophobicContact CG-CZ 4.37Å; I57-F119 HydrophobicContact CG1-CE1 4.38Å; I57-F119 HydrophobicContact CG1-CZ 4.21Å; Y60-F119 VanDerWaalsContact CB-CE2 3.44Å; Y60-F119 AromaticContact CD1-CD1 3.59Å; Y60-F119 HydrophobicContact CD1-CD1 3.59Å; Y60-F119 HydrophobicContact CD1-CD2 4.37Å; Y60-F119 AromaticContact CD1-CE1 3.62Å; Y60-F119 HydrophobicContact CD1-CE1 3.62Å; Y60-F119 HydrophobicContact CD1-CE2 4.39Å; Y60-F119 AromaticContact CD1-CG 3.97Å; Y60-F119 HydrophobicContact CD1-CG 3.97Å; Y60-F119 HydrophobicContact CD1-CZ 4.03Å; Y60-F119 HydrophobicContact CD2-CB 3.99Å; Y60-F119 HydrophobicContact CD2-CD1 4.06Å; Y60-F119 AromaticContact CD2-CD2 3.43Å; Y60-F119 HydrophobicContact CD2-CD2 3.43Å; Y60-F119 VanDerWaalsContact CD2-CD2 3.43Å; Y60-F119 HydrophobicContact CD2-CE1 4.41Å; Y60-F119 AromaticContact CD2-CE2 3.84Å; Y60-F119 HydrophobicContact CD2-CE2 3.84Å; Y60-F119 AromaticContact CD2-CG 3.54Å; Y60-F119 HydrophobicContact CD2-CG 3.54Å; Y60-F119 HydrophobicContact CD2-CZ 4.3Å; Y60-F119 HydrophobicContact CE1-CB 4.38Å; Y60-F119 AromaticContact CE1-CD1 3.76Å; Y60-F119 HydrophobicContact CE1-CD1 3.76Å; Y60-F119 HydrophobicContact CE1-CE1 4.24Å; Y60-F119 HydrophobicContact CE1-CG 4.08Å; Y60-F119 HydrophobicContact CE2-CB 3.61Å; Y60-F119 HydrophobicContact CE2-CD1 4.23Å; Y60-F119 AromaticContact CE2-CD2 3.98Å; Y60-F119 HydrophobicContact CE2-CD2 3.98Å; Y60-F119 AromaticContact CE2-CG 3.67Å; Y60-F119 HydrophobicContact CE2-CG 3.67Å; Y60-F119 AromaticContact CG-CD1 3.73Å; Y60-F119 HydrophobicContact CG-CD1 3.73Å; Y60-F119 AromaticContact CG-CD2 3.66Å; Y60-F119 HydrophobicContact CG-CD2 3.66Å; Y60-F119 AromaticContact CG-CE1 3.71Å; Y60-F119 HydrophobicContact CG-CE1 3.71Å; Y60-F119 AromaticContact CG-CE2 3.63Å; Y60-F119 HydrophobicContact CG-CE2 3.63Å; Y60-F119 AromaticContact CG-CG 3.7Å; Y60-F119 HydrophobicContact CG-CG 3.7Å; Y60-F119 AromaticContact CG-CZ 3.64Å; Y60-F119 HydrophobicContact CG-CZ 3.64Å; Y60-F119 AromaticContact CZ-CG 3.93Å; A115-F119 WeakPolarHBondContact O-CB 3.43Å; A115-F119 PolarHBondContact O-N 3.47Å; T116-F119 PolarHBondContact O-N 3.17Å; F119-N121 VanDerWaalsContact C-N 3.28Å; F119-N121 PolarHBondContact O-N 3.1Å; F119-F123 HydrophobicContact CD1-CE2 4.21Å; F119-F123 HydrophobicContact CD2-CE2 4.43Å; F119-F123 HydrophobicContact CE1-CD2 4.32Å; F119-F123 AromaticContact CE1-CE2 3.53Å; F119-F123 HydrophobicContact CE1-CE2 3.53Å; F119-F123 HydrophobicContact CE1-CZ 4.22Å; F119-F123 AromaticContact CE2-CE2 3.79Å; F119-F123 HydrophobicContact CE2-CE2 3.79Å; F119-F123 HydrophobicContact CE2-CZ 4.38Å; F119-F123 HydrophobicContact CZ-CD2 4.42Å; F119-F123 AromaticContact CZ-CE2 3.29Å; F119-F123 HydrophobicContact CZ-CE2 3.29Å; F119-F123 AromaticContact CZ-CZ 3.74Å; F119-F123 HydrophobicContact CZ-CZ 3.74Å
120L98.8Very high98.5Very high1 Ų162.9 Ų62.91%0.00532%0.316CS..Hα-helixtrans-68.6-23.2-177.5-68.5174.3000113.4F101 L104 A108 T116 W122 F123 L124F101-L120 HydrophobicContact CD1-CD2 3.93Å; F101-L120 HydrophobicContact CE1-CD2 4.15Å; L104-L120 HydrophobicContact CB-CD1 3.98Å; L104-L120 HydrophobicContact CB-CD2 4.29Å; L104-L120 HydrophobicContact CD1-CD2 4.48Å; A108-L120 HydrophobicContact CB-CD1 4.23Å; T116-L120 HydrophobicContact CG2-CD1 3.91Å; T116-L120 HydrophobicContact CG2-CG 4.05Å; T116-L120 WeakPolarHBondContact O-CB 3.44Å; T116-L120 WeakPolarHBondContact O-CG 3.11Å; T116-L120 PolarHBondContact O-N 3.26Å; L120-W122 PolarHBondContact O-N 3.46Å; L120-F123 PolarHBondContact O-N 2.87Å; L120-F123 VanDerWaalsContact O-N 3.09Å; L120-L124 WeakPolarHBondContact O-CG 3.37Å; L120-L124 PolarHBondContact O-N 2.82Å
121N98.5Very high98.5Very high77 Ų7757.8 Ų57.841%0.41229%0.292SS..Hα-helixtrans-55.7-38.1178.3-72.4-19.6000112.7I117 F119 F123 L124 D125I117-N121 PolarHBondContact O-N 2.87Å; I117-N121 PolarHBondContact O-OD1 3.19Å; F119-N121 VanDerWaalsContact C-N 3.28Å; F119-N121 PolarHBondContact O-N 3.1Å; N121-F123 VanDerWaalsContact C-N 3.35Å; N121-F123 PolarHBondContact O-N 3.36Å; N121-L124 PolarHBondContact O-N 3Å; N121-D125 PolarHBondContact O-N 3.36Å
122W98.5Very high98.6Very high80 Ų8057.5 Ų57.530%0.30330%0.296SS..Hα-helixtrans-59.3-45.9177.2-179.884.4000111.7F52 H53 K56 L120 L124 D125 E126F52-W122 HydrophobicContact CD1-CH2 4.35Å; F52-W122 HydrophobicContact CE1-CH2 4.03Å; F52-W122 HydrophobicContact CE1-CZ2 4.04Å; H53-W122 AromaticContact CD2-CH2 3.47Å; H53-W122 VanDerWaalsContact CD2-CH2 3.47Å; H53-W122 WeakPolarHBondContact CD2-CH2 3.48Å; H53-W122 AromaticContact CD2-CZ3 3.8Å; H53-W122 AromaticContact NE2-CH2 3.58Å; K56-W122 HydrophobicContact CD-CD2 3.95Å; K56-W122 HydrophobicContact CD-CE3 3.51Å; K56-W122 HydrophobicContact CD-CH2 4.1Å; K56-W122 HydrophobicContact CD-CZ2 4.44Å; K56-W122 HydrophobicContact CD-CZ3 3.61Å; K56-W122 VanDerWaalsContact CE-CE3 3.41Å; K56-W122 VanDerWaalsContact NZ-CG 3.34Å; L120-W122 PolarHBondContact O-N 3.46Å; W122-L124 VanDerWaalsContact C-N 3.35Å; W122-L124 PolarHBondContact O-N 3.48Å; W122-D125 PolarHBondContact O-N 3.35Å; W122-E126 HydrophobicContact CH2-CB 4.48Å; W122-E126 HydrophobicContact CH2-CG 4.06Å; W122-E126 HydrophobicContact CZ2-CG 4.47Å; W122-E126 HydrophobicContact CZ3-CB 4.4Å; W122-E126 HydrophobicContact CZ3-CG 4.33Å; W122-E126 WeakPolarHBondContact O-CB 3.2Å; W122-E126 PolarHBondContact O-N 2.92Å
123F98.7Very high98.6Very high0 Ų052.6 Ų52.60%028%0.276CS..Hα-helixtrans-68.8-34.3178.5-63.5-89.4000112.3H53 K56 I57 F101 F119 L120 N121 D125 E126 Q127H53-F123 HydrophobicContact CB-CE1 4.21Å; K56-F123 HydrophobicContact CB-CZ 3.98Å; K56-F123 HydrophobicContact CD-CE1 4.33Å; K56-F123 HydrophobicContact CD-CE2 4.06Å; K56-F123 HydrophobicContact CD-CZ 3.66Å; K56-F123 HydrophobicContact CG-CE2 4.37Å; K56-F123 HydrophobicContact CG-CZ 3.88Å; I57-F123 HydrophobicContact CD1-CE1 4.13Å; I57-F123 HydrophobicContact CD1-CZ 4.21Å; I57-F123 HydrophobicContact CG1-CE1 3.92Å; I57-F123 HydrophobicContact CG1-CE2 4.3Å; I57-F123 HydrophobicContact CG1-CZ 3.52Å; F101-F123 HydrophobicContact CD1-CB 3.82Å; F101-F123 HydrophobicContact CD1-CG 4.19Å; F101-F123 HydrophobicContact CD2-CB 4.02Å; F101-F123 HydrophobicContact CE1-CB 3.59Å; F101-F123 AromaticContact CE1-CD1 3.65Å; F101-F123 HydrophobicContact CE1-CD1 3.65Å; F101-F123 HydrophobicContact CE1-CD2 4.03Å; F101-F123 HydrophobicContact CE1-CE1 4.29Å; F101-F123 AromaticContact CE1-CG 3.47Å; F101-F123 HydrophobicContact CE1-CG 3.47Å; F101-F123 VanDerWaalsContact CE1-CG 3.47Å; F101-F123 HydrophobicContact CE2-CB 3.8Å; F101-F123 AromaticContact CE2-CD1 3.76Å; F101-F123 HydrophobicContact CE2-CD1 3.76Å; F101-F123 HydrophobicContact CE2-CG 4.07Å; F101-F123 HydrophobicContact CG-CB 4.04Å; F101-F123 HydrophobicContact CZ-CB 3.58Å; F101-F123 AromaticContact CZ-CD1 3.1Å; F101-F123 HydrophobicContact CZ-CD1 3.1Å; F101-F123 HydrophobicContact CZ-CD2 4.33Å; F101-F123 AromaticContact CZ-CE1 3.79Å; F101-F123 HydrophobicContact CZ-CE1 3.79Å; F101-F123 AromaticContact CZ-CG 3.41Å; F101-F123 HydrophobicContact CZ-CG 3.41Å; F101-F123 VanDerWaalsContact CZ-CG 3.41Å; F119-F123 HydrophobicContact CD1-CE2 4.21Å; F119-F123 HydrophobicContact CD2-CE2 4.43Å; F119-F123 HydrophobicContact CE1-CD2 4.32Å; F119-F123 AromaticContact CE1-CE2 3.53Å; F119-F123 HydrophobicContact CE1-CE2 3.53Å; F119-F123 HydrophobicContact CE1-CZ 4.22Å; F119-F123 AromaticContact CE2-CE2 3.79Å; F119-F123 HydrophobicContact CE2-CE2 3.79Å; F119-F123 HydrophobicContact CE2-CZ 4.38Å; F119-F123 HydrophobicContact CZ-CD2 4.42Å; F119-F123 AromaticContact CZ-CE2 3.29Å; F119-F123 HydrophobicContact CZ-CE2 3.29Å; F119-F123 AromaticContact CZ-CZ 3.74Å; F119-F123 HydrophobicContact CZ-CZ 3.74Å; L120-F123 PolarHBondContact O-N 2.87Å; L120-F123 VanDerWaalsContact O-N 3.09Å; N121-F123 VanDerWaalsContact C-N 3.35Å; N121-F123 PolarHBondContact O-N 3.36Å; F123-D125 VanDerWaalsContact C-N 3.33Å; F123-E126 PolarHBondContact O-N 2.89Å; F123-Q127 WeakPolarHBondContact O-CG 3.27Å; F123-Q127 PolarHBondContact O-N 3.46Å
124L98.7Very high98.6Very high33 Ų3351.7 Ų51.717%0.17327%0.271CS..Hα-helixtrans-65.5-38.8176.7-67.2172.9000111.9F101 Y102 L120 N121 W122 V128F101-L124 HydrophobicContact CB-CD2 4.09Å; Y102-L124 HydrophobicContact CD1-CD2 3.67Å; Y102-L124 HydrophobicContact CE1-CD2 3.76Å; L120-L124 WeakPolarHBondContact O-CG 3.37Å; L120-L124 PolarHBondContact O-N 2.82Å; N121-L124 PolarHBondContact O-N 3Å; W122-L124 VanDerWaalsContact C-N 3.35Å; W122-L124 PolarHBondContact O-N 3.48Å; L124-V128 WeakPolarHBondContact O-CG2 3.33Å
125D98.5Very high98.6Very high110 Ų11047.9 Ų47.959%0.58826%0.259SS*.Hα-helixtrans-69.6-44.1174.4-66.1-26000110.2N121 W122 F123 Q127 V128 E129N121-D125 PolarHBondContact O-N 3.36Å; W122-D125 PolarHBondContact O-N 3.35Å; F123-D125 VanDerWaalsContact C-N 3.33Å; D125-Q127 PolarHBondContact O-N 3.38Å; D125-V128 WeakPolarHBondContact O-CB 3.45Å; D125-V128 PolarHBondContact O-N 3.19Å; D125-E129 PolarHBondContact O-N 2.68Å
126E98.2Very high98.6Very high28 Ų2848.5 Ų48.513%0.13126%0.258CS..Hα-helixtrans-55.9-50.1176.8-167.560.4-131.800112.4W122 F123 V128 E129 E130W122-E126 HydrophobicContact CH2-CB 4.48Å; W122-E126 HydrophobicContact CH2-CG 4.06Å; W122-E126 HydrophobicContact CZ2-CG 4.47Å; W122-E126 HydrophobicContact CZ3-CB 4.4Å; W122-E126 HydrophobicContact CZ3-CG 4.33Å; W122-E126 WeakPolarHBondContact O-CB 3.2Å; W122-E126 PolarHBondContact O-N 2.92Å; F123-E126 PolarHBondContact O-N 2.89Å; E126-V128 PolarHBondContact O-N 3.28Å; E126-V128 VanDerWaalsContact O-N 3.13Å; E126-E129 WeakPolarHBondContact O-CA 3.24Å; E126-E129 WeakPolarHBondContact O-CB 3.44Å; E126-E129 PolarHBondContact O-N 2.95Å; E126-E130 HydrophobicContact CG-CG 4.35Å; E126-E130 PolarHBondContact O-N 3.43Å
127Q98.6Very high98.6Very high3 Ų349.5 Ų49.51%0.01426%0.263CS..Hα-helixtrans-61.2-28-179.5-73.4-42.8112.100113.6E94 V97 T98 F101 F123 D125 E129 E131E94-Q127 PolarHBondContact O-NE2 3.08Å; E94-Q127 PolarHBondContact OE2-NE2 3.06Å; V97-Q127 VanDerWaalsContact CG1-CD 3.49Å; V97-Q127 HydrophobicContact CG1-CG 4.37Å; V97-Q127 VanDerWaalsContact CG1-NE2 3.3Å; T98-Q127 HydrophobicContact CG2-CB 4.42Å; T98-Q127 WeakPolarHBondContact OG1-CB 3.31Å; T98-Q127 WeakPolarHBondContact OG1-CG 3.46Å; T98-Q127 PolarHBondContact OG1-NE2 3.34Å; F101-Q127 HydrophobicContact CD2-CG 3.89Å; F101-Q127 HydrophobicContact CE2-CG 4.41Å; F123-Q127 WeakPolarHBondContact O-CG 3.27Å; F123-Q127 PolarHBondContact O-N 3.46Å; D125-Q127 PolarHBondContact O-N 3.38Å; Q127-E129 VanDerWaalsContact C-N 3.33Å; Q127-E131 WeakPolarHBondContact O-CB 3.48Å; Q127-E131 WeakPolarHBondContact O-CG 3.32Å; Q127-E131 PolarHBondContact O-N 3.43Å
128V98.7Very high98.6Very high99 Ų9948.6 Ų48.660%0.626%0.258SS*.Hα-helixtrans-66.7-39.9173.8173.10000110.3L124 D125 E126 S132L124-V128 WeakPolarHBondContact O-CG2 3.33Å; D125-V128 WeakPolarHBondContact O-CB 3.45Å; D125-V128 PolarHBondContact O-N 3.19Å; E126-V128 PolarHBondContact O-N 3.28Å; E126-V128 VanDerWaalsContact O-N 3.13Å; V128-S132 VanDerWaalsContact O-CB 3.29Å; V128-S132 WeakPolarHBondContact O-CB 3.46Å; V128-S132 PolarHBondContact O-N 3.17Å
129E98.4Very high98.6Very high134 Ų13449.1 Ų49.163%0.62625%0.254SS*.Hα-helixtrans-69.8-44.8177.3-60.3-169.1-173.800111.1D125 E126 Q127 S132 M133D125-E129 PolarHBondContact O-N 2.68Å; E126-E129 WeakPolarHBondContact O-CA 3.24Å; E126-E129 WeakPolarHBondContact O-CB 3.44Å; E126-E129 PolarHBondContact O-N 2.95Å; Q127-E129 VanDerWaalsContact C-N 3.33Å; E129-S132 PolarHBondContact O-N 3.12Å; E129-M133 WeakPolarHBondContact O-CB 3.46Å; E129-M133 PolarHBondContact O-N 3.29Å
130E98.6Very high98.6Very high5 Ų552.5 Ų52.52%0.02327%0.267CS..Hα-helixtrans-64-49-179.5-66.7-149.6140.600113.2Q46 H53 E94 E126 S132 M133 F134Q46-E130 PolarHBondContact NE2-OE1 2.61Å; H53-E130 IonicContact CE1-OE1 2.75Å; H53-E130 PolarHBondContact CE1-OE1 2.99Å; E94-E130 VanDerWaalsContact CD-OE2 3.29Å; E94-E130 HydrophobicContact CG-CB 4.41Å; E94-E130 VanDerWaalsContact OE2-OE2 3.06Å; E126-E130 HydrophobicContact CG-CG 4.35Å; E126-E130 PolarHBondContact O-N 3.43Å; E130-S132 VanDerWaalsContact C-N 3.27Å; E130-S132 PolarHBondContact O-N 3.44Å; E130-M133 WeakPolarHBondContact O-CB 3.23Å; E130-M133 PolarHBondContact O-N 3.11Å; E130-F134 VanDerWaalsContact O-CD2 3.27Å; E130-F134 WeakPolarHBondContact O-CD2 3.37Å; E130-F134 PolarHBondContact O-N 2.86Å
131E98.8Very high98.6Very high40 Ų4053 Ų5319%0.18727%0.27CS..Hα-helixtrans-59.3-42.3176.7-74.7-171.3-148.100110.6L91 E94 Q95 T98 Q127 M133 F134 E135L91-E131 HydrophobicContact CD1-CB 4.21Å; L91-E131 HydrophobicContact CD1-CG 4.33Å; E94-E131 HydrophobicContact CB-CG 4.21Å; Q95-E131 HydrophobicContact CG-CG 4.29Å; T98-E131 WeakPolarHBondContact CB-OE1 3.36Å; T98-E131 WeakPolarHBondContact CG2-OE1 3.47Å; T98-E131 PolarHBondContact OG1-OE1 3.48Å; Q127-E131 WeakPolarHBondContact O-CB 3.48Å; Q127-E131 WeakPolarHBondContact O-CG 3.32Å; Q127-E131 PolarHBondContact O-N 3.43Å; E131-M133 PolarHBondContact O-N 3.4Å; E131-F134 PolarHBondContact O-N 3.11Å; E131-E135 WeakPolarHBondContact O-CB 3.3Å; E131-E135 WeakPolarHBondContact O-CG 3.5Å; E131-E135 PolarHBondContact O-N 2.94Å
132S98.8Very high98.6Very high63 Ų6353.2 Ų53.244%0.44127%0.274SS..Hα-helixtrans-63.9-39.4178-169.20000112.8V128 E129 E130 T136V128-S132 VanDerWaalsContact O-CB 3.29Å; V128-S132 WeakPolarHBondContact O-CB 3.46Å; V128-S132 PolarHBondContact O-N 3.17Å; E129-S132 PolarHBondContact O-N 3.12Å; E130-S132 VanDerWaalsContact C-N 3.27Å; E130-S132 PolarHBondContact O-N 3.44Å; S132-T136 VanDerWaalsContact O-CB 3.32Å; S132-T136 WeakPolarHBondContact O-CB 3.03Å; S132-T136 PolarHBondContact O-N 2.65Å; S132-T136 PolarHBondContact O-OG1 3.14Å
133M98.7Very high98.6Very high44 Ų4457.6 Ų57.622%0.21729%0.29CS..Hα-helixtrans-60.9-51.6175.3179.1-16557.600110.4F42 E129 E130 E131 E135 T136 H137F42-M133 HydrophobicContact CE2-SD 4Å; F42-M133 HydrophobicContact CZ-CE 3.97Å; F42-M133 HydrophobicContact CZ-SD 3.9Å; E129-M133 WeakPolarHBondContact O-CB 3.46Å; E129-M133 PolarHBondContact O-N 3.29Å; E130-M133 WeakPolarHBondContact O-CB 3.23Å; E130-M133 PolarHBondContact O-N 3.11Å; E131-M133 PolarHBondContact O-N 3.4Å; M133-E135 PolarHBondContact O-N 3.04Å; M133-T136 WeakPolarHBondContact O-CB 3.4Å; M133-T136 PolarHBondContact O-N 2.53Å; M133-T136 VanDerWaalsContact O-N 3.16Å; M133-H137 VanDerWaalsContact CG-NE2 3.35Å; M133-H137 WeakPolarHBondContact CG-NE2 3.4Å; M133-H137 PolarHBondContact O-CD2 3.21Å; M133-H137 PolarHBondContact O-N 2.99Å
134F98.8Very high98.5Very high0 Ų058.8 Ų58.80%030%0.296CS..Hα-helixtrans-65.4-40.2-179.5-78.5-68.9000112.8Y24 F42 F43 Q46 F87 S90 L91 E94 E130 E131 T136 H137 I138Y24-F134 HydrophobicContact CE1-CE1 4.28Å; Y24-F134 AromaticContact CE1-CZ 3.75Å; Y24-F134 HydrophobicContact CE1-CZ 3.75Å; Y24-F134 AromaticContact CZ-CZ 3.7Å; Y24-F134 WeakPolarHBondContact OH-CE2 3.16Å; Y24-F134 WeakPolarHBondContact OH-CZ 3.4Å; F42-F134 AromaticContact CE1-CE1 3.91Å; F42-F134 HydrophobicContact CE1-CE1 3.91Å; F42-F134 HydrophobicContact CE1-CZ 4.3Å; F42-F134 HydrophobicContact CZ-CE1 4.18Å; F42-F134 HydrophobicContact CZ-CZ 4.45Å; F43-F134 HydrophobicContact CE1-CE1 4.47Å; Q46-F134 HydrophobicContact CG-CZ 4.16Å; F87-F134 AromaticContact CD1-CD1 3.92Å; F87-F134 HydrophobicContact CD1-CD1 3.92Å; F87-F134 HydrophobicContact CD1-CE1 4.25Å; F87-F134 HydrophobicContact CE1-CD1 4.5Å; S90-F134 VanDerWaalsContact CB-CD1 3.44Å; L91-F134 HydrophobicContact CB-CB 4.03Å; L91-F134 HydrophobicContact CD1-CB 4.11Å; E94-F134 HydrophobicContact CG-CD2 3.75Å; E94-F134 HydrophobicContact CG-CE2 3.71Å; E130-F134 VanDerWaalsContact O-CD2 3.27Å; E130-F134 WeakPolarHBondContact O-CD2 3.37Å; E130-F134 PolarHBondContact O-N 2.86Å; E131-F134 PolarHBondContact O-N 3.11Å; F134-T136 VanDerWaalsContact C-N 3.28Å; F134-T136 PolarHBondContact O-N 2.65Å; F134-H137 PolarHBondContact O-N 3.34Å; F134-I138 VanDerWaalsContact O-CG1 3.27Å; F134-I138 WeakPolarHBondContact O-CG1 3.39Å; F134-I138 PolarHBondContact O-N 3.38Å
135E98.8Very high98.4Very high89 Ų8960 Ų6042%0.41632%0.317SS..Hα-helixtrans-58.2-42.2171.9-76.4-174.1164.400111.9L91 E131 M133 I138 N139L91-E135 HydrophobicContact CD1-CG 3.97Å; L91-E135 HydrophobicContact CD2-CG 3.74Å; E131-E135 WeakPolarHBondContact O-CB 3.3Å; E131-E135 WeakPolarHBondContact O-CG 3.5Å; E131-E135 PolarHBondContact O-N 2.94Å; M133-E135 PolarHBondContact O-N 3.04Å; E135-I138 PolarHBondContact O-N 3.16Å; E135-N139 WeakPolarHBondContact O-CB 2.88Å; E135-N139 VanDerWaalsContact O-CG 3.24Å; E135-N139 PolarHBondContact O-N 2.67Å; E135-N139 PolarHBondContact O-ND2 3.45Å
136T98.7Very high98.2Very high61 Ų6162.4 Ų62.437%0.37433%0.33SS..Hα-helixtrans-61.5-48.7177.5-65.80000110.8S132 M133 F134 I138 N139 Y140S132-T136 VanDerWaalsContact O-CB 3.32Å; S132-T136 WeakPolarHBondContact O-CB 3.03Å; S132-T136 PolarHBondContact O-N 2.65Å; S132-T136 PolarHBondContact O-OG1 3.14Å; M133-T136 WeakPolarHBondContact O-CB 3.4Å; M133-T136 PolarHBondContact O-N 2.53Å; M133-T136 VanDerWaalsContact O-N 3.16Å; F134-T136 VanDerWaalsContact C-N 3.28Å; F134-T136 PolarHBondContact O-N 2.65Å; T136-I138 PolarHBondContact O-N 3.22Å; T136-N139 PolarHBondContact O-N 3.42Å; T136-Y140 HydrophobicContact CG2-CD2 3.74Å; T136-Y140 HydrophobicContact CG2-CE2 3.68Å; T136-Y140 VanDerWaalsContact O-CD2 3.29Å; T136-Y140 WeakPolarHBondContact O-CD2 3.36Å; T136-Y140 PolarHBondContact O-N 2.72Å
137H98.6Very high98.2Very high22 Ų2264.8 Ų64.810%0.10234%0.343CS..Hα-helixtrans-61.6-42.1177.5-67.2-52.6000112.8F42 F87 M133 F134 N139 Y140 L141 Y154 L158F42-H137 AromaticContact CE2-CD2 3.98Å; F42-H137 AromaticContact CE2-NE2 3.37Å; F42-H137 WeakPolarHBondContact CE2-NE2 3.42Å; F42-H137 AromaticContact CZ-CD2 3.73Å; F42-H137 AromaticContact CZ-NE2 3.61Å; F87-H137 HydrophobicContact CD1-CB 3.31Å; F87-H137 AromaticContact CD1-CG 3.96Å; F87-H137 HydrophobicContact CE1-CB 3.41Å; F87-H137 VanDerWaalsContact CE1-CB 3.41Å; F87-H137 AromaticContact CE1-CD2 3.73Å; F87-H137 AromaticContact CE1-CG 3.56Å; F87-H137 HydrophobicContact CG-CB 4.27Å; F87-H137 HydrophobicContact CZ-CB 4.42Å; M133-H137 VanDerWaalsContact CG-NE2 3.35Å; M133-H137 WeakPolarHBondContact CG-NE2 3.4Å; M133-H137 PolarHBondContact O-CD2 3.21Å; M133-H137 PolarHBondContact O-N 2.99Å; F134-H137 PolarHBondContact O-N 3.34Å; H137-N139 VanDerWaalsContact C-N 3.32Å; H137-N139 PolarHBondContact O-N 2.83Å; H137-Y140 PolarHBondContact O-N 3.11Å; H137-L141 WeakPolarHBondContact O-CB 3.37Å; H137-L141 WeakPolarHBondContact O-CG 3.32Å; H137-L141 PolarHBondContact O-N 2.96Å; H137-Y154 AromaticContact ND1-CZ 3.68Å; H137-Y154 PolarHBondContact ND1-OH 3.46Å; H137-L158 WeakPolarHBondContact CE1-CD2 3.28Å
138I98.8Very high98Very high21 Ų2168.7 Ų68.711%0.10837%0.371CS..Hα-helixtrans-58.7-45.8174.8-70.6165000110.6L84 F87 K88 L91 F134 E135 T136 Y140 L141 T142L84-I138 HydrophobicContact CD1-CG2 4.25Å; F87-I138 HydrophobicContact CB-CG1 3.86Å; K88-I138 HydrophobicContact CG-CD1 4.09Å; K88-I138 HydrophobicContact CG-CG1 4.24Å; L91-I138 HydrophobicContact CB-CD1 3.77Å; L91-I138 HydrophobicContact CD2-CD1 3.6Å; L91-I138 HydrophobicContact CG-CD1 4.33Å; F134-I138 VanDerWaalsContact O-CG1 3.27Å; F134-I138 WeakPolarHBondContact O-CG1 3.39Å; F134-I138 PolarHBondContact O-N 3.38Å; E135-I138 PolarHBondContact O-N 3.16Å; T136-I138 PolarHBondContact O-N 3.22Å; I138-Y140 PolarHBondContact O-N 2.97Å; I138-L141 PolarHBondContact O-N 3.4Å; I138-T142 VanDerWaalsContact O-CB 3.26Å; I138-T142 WeakPolarHBondContact O-CB 3.42Å; I138-T142 PolarHBondContact O-N 3.41Å; I138-T142 PolarHBondContact O-OG1 2.94Å
139N98.7Very high98Very high92 Ų9269.6 Ų69.649%0.49237%0.373SS..Hα-helixtrans-64.4-38.2178.5-73.8-36.5000112.4E135 T136 H137 R143E135-N139 WeakPolarHBondContact O-CB 2.88Å; E135-N139 VanDerWaalsContact O-CG 3.24Å; E135-N139 PolarHBondContact O-N 2.67Å; E135-N139 PolarHBondContact O-ND2 3.45Å; T136-N139 PolarHBondContact O-N 3.42Å; H137-N139 VanDerWaalsContact C-N 3.32Å; H137-N139 PolarHBondContact O-N 2.83Å; N139-R143 WeakPolarHBondContact O-CB 3.28Å; N139-R143 VanDerWaalsContact O-CG 3.28Å; N139-R143 WeakPolarHBondContact O-CG 3.49Å; N139-R143 PolarHBondContact O-N 2.81Å; N139-R143 VanDerWaalsContact O-N 3.09Å; N139-R143 PolarHBondContact O-NE 3.09Å
140Y98.3Very high98Very high101 Ų10164.7 Ų64.740%0.39636%0.355SS..Hα-helixtrans-64.9-52.3173.7-89.9-77.1000112T136 H137 I138 T142 R143 I144 Y154T136-Y140 HydrophobicContact CG2-CD2 3.74Å; T136-Y140 HydrophobicContact CG2-CE2 3.68Å; T136-Y140 VanDerWaalsContact O-CD2 3.29Å; T136-Y140 WeakPolarHBondContact O-CD2 3.36Å; T136-Y140 PolarHBondContact O-N 2.72Å; H137-Y140 PolarHBondContact O-N 3.11Å; I138-Y140 PolarHBondContact O-N 2.97Å; Y140-T142 PolarHBondContact O-N 3.49Å; Y140-R143 VanDerWaalsContact CZ-NH2 3.34Å; Y140-R143 PolarHBondContact O-N 3.3Å; Y140-I144 WeakPolarHBondContact O-CG1 3.36Å; Y140-I144 PolarHBondContact O-N 3.16Å; Y140-Y154 WeakPolarHBondContact CB-OH 3.4Å; Y140-Y154 HydrophobicContact CD1-CE2 4.34Å; Y140-Y154 HydrophobicContact CD2-CE2 4.47Å; Y140-Y154 HydrophobicContact CG-CE2 4.08Å; Y140-Y154 AromaticContact CG-CZ 3.98Å
141L98.4Very high97.9Very high12 Ų1266 Ų666%0.06336%0.362CS..Hα-helixtrans-59.3-37.7179.2-71.2172000112F39 I83 L84 F87 H137 I138 I144 G145 L151 Y154F39-L141 HydrophobicContact CE1-CD2 4.02Å; F39-L141 HydrophobicContact CZ-CD2 4.02Å; I83-L141 HydrophobicContact CG2-CD2 4.32Å; L84-L141 HydrophobicContact CD1-CB 3.82Å; L84-L141 HydrophobicContact CD1-CD1 4.39Å; F87-L141 HydrophobicContact CB-CD1 4.22Å; F87-L141 HydrophobicContact CD2-CD1 3.43Å; F87-L141 VanDerWaalsContact CD2-CD1 3.43Å; F87-L141 HydrophobicContact CE2-CD1 3.88Å; F87-L141 HydrophobicContact CG-CD1 3.8Å; H137-L141 WeakPolarHBondContact O-CB 3.37Å; H137-L141 WeakPolarHBondContact O-CG 3.32Å; H137-L141 PolarHBondContact O-N 2.96Å; I138-L141 PolarHBondContact O-N 3.4Å; L141-I144 PolarHBondContact O-N 3.05Å; L141-G145 PolarHBondContact O-N 2.96Å; L141-L151 HydrophobicContact CD2-CD1 3.98Å; L141-Y154 HydrophobicContact CD2-CD1 4.1Å; L141-Y154 HydrophobicContact CD2-CE1 4.18Å; L141-Y154 HydrophobicContact CG-CE1 4.22Å
142T98.3Very high97.8Very high80 Ų8070 Ų7049%0.49138%0.376SS..Hα-helixtrans-66.3-39.1176.1-59.40000111.9I138 Y140I138-T142 VanDerWaalsContact O-CB 3.26Å; I138-T142 WeakPolarHBondContact O-CB 3.42Å; I138-T142 PolarHBondContact O-N 3.41Å; I138-T142 PolarHBondContact O-OG1 2.94Å; Y140-T142 PolarHBondContact O-N 3.49Å
143R98Very high97.8Very high172 Ų17272.6 Ų72.665%0.64938%0.384SS*.Hα-helixtrans-74-33.5177.1-74.2-175.6-60.7174.53.7113.3N139 Y140 G145N139-R143 WeakPolarHBondContact O-CB 3.28Å; N139-R143 VanDerWaalsContact O-CG 3.28Å; N139-R143 WeakPolarHBondContact O-CG 3.49Å; N139-R143 PolarHBondContact O-N 2.81Å; N139-R143 VanDerWaalsContact O-N 3.09Å; N139-R143 PolarHBondContact O-NE 3.09Å; Y140-R143 VanDerWaalsContact CZ-NH2 3.34Å; Y140-R143 PolarHBondContact O-N 3.3Å; R143-G145 VanDerWaalsContact C-N 3.34Å
144I98Very high97.7Very high25 Ų2571 Ų7113%0.12838%0.376CS..Hα-helixtrans-62.5-42.8175.8-73.7167.3000110.3Y140 L141 D146 D147 A150 L151 Y154Y140-I144 WeakPolarHBondContact O-CG1 3.36Å; Y140-I144 PolarHBondContact O-N 3.16Å; L141-I144 PolarHBondContact O-N 3.05Å; I144-D146 PolarHBondContact O-N 3.33Å; I144-D147 PolarHBondContact O-N 3.29Å; I144-A150 HydrophobicContact CG1-CB 4.24Å; I144-A150 HydrophobicContact CG2-CB 4.16Å; I144-L151 HydrophobicContact CG2-CB 4.07Å; I144-Y154 HydrophobicContact CD1-CD1 3.89Å; I144-Y154 HydrophobicContact CD1-CG 3.91Å
145G95.4Very high97.7Very high59 Ų5972.3 Ų72.361%0.60838%0.382SS*.THydrogen-bonded Turntrans61.3-120.3179.300000111.8L141 R143L141-G145 PolarHBondContact O-N 2.96Å; R143-G145 VanDerWaalsContact C-N 3.34Å
146D94.7Very high97.6Very high161 Ų16173.7 Ų73.786%0.86139%0.387SS*.THydrogen-bonded Turntrans-99.76.9-178.263.1-16.5000114.1I144 S148I144-D146 PolarHBondContact O-N 3.33Å; D146-S148 PolarHBondContact O-N 3.15Å
147D97.7Very high97.6Very high77 Ų7777.1 Ų77.141%0.41240%0.398SS..  trans-74.293.6177.2-171.3-20.4000111.6I144 N149 A150 L151I144-D147 PolarHBondContact O-N 3.29Å; D147-N149 VanDerWaalsContact C-N 3.27Å; D147-N149 PolarHBondContact O-N 2.92Å; D147-N149 WeakPolarHBondContact OD1-CB 3.46Å; D147-N149 PolarHBondContact OD1-N 3.34Å; D147-A150 HydrophobicContact CB-CB 3.89Å; D147-A150 PolarHBondContact O-N 3.21Å; D147-A150 PolarHBondContact OD1-N 2.98Å; D147-L151 PolarHBondContact O-N 3.46Å
148S95.6Very high97.5Very high85 Ų8576.5 Ų76.559%0.59440%0.396SS*.Hα-helixtrans-58.2-30.617757.90000114.8D146 Y152D146-S148 PolarHBondContact O-N 3.15Å; S148-Y152 WeakPolarHBondContact O-CB 3.41Å; S148-Y152 PolarHBondContact O-N 3.34Å
149N97.7Very high97.5Very high119 Ų11976.9 Ų76.964%0.63641%0.405SS*.Hα-helixtrans-72.9-43.2177.6-68.1-47.5000110.3D147 L151 Y152 L153D147-N149 VanDerWaalsContact C-N 3.27Å; D147-N149 PolarHBondContact O-N 2.92Å; D147-N149 WeakPolarHBondContact OD1-CB 3.46Å; D147-N149 PolarHBondContact OD1-N 3.34Å; N149-L151 VanDerWaalsContact C-N 3.34Å; N149-Y152 PolarHBondContact O-N 3.08Å; N149-L153 WeakPolarHBondContact O-CG 3.43Å; N149-L153 PolarHBondContact O-N 3.39Å; N149-L153 VanDerWaalsContact O-N 3.08Å
150A97.8Very high97.5Very high31 Ų3176.1 Ų76.126%0.25641%0.412SS..Hα-helixtrans-63.9-40.8175.100000111.3I144 D147 Y152 L153 Y154I144-A150 HydrophobicContact CG1-CB 4.24Å; I144-A150 HydrophobicContact CG2-CB 4.16Å; D147-A150 HydrophobicContact CB-CB 3.89Å; D147-A150 PolarHBondContact O-N 3.21Å; D147-A150 PolarHBondContact OD1-N 2.98Å; A150-Y152 PolarHBondContact O-N 3.49Å; A150-L153 PolarHBondContact O-N 3.02Å; A150-Y154 WeakPolarHBondContact O-CB 3.27Å; A150-Y154 PolarHBondContact O-N 2.94Å
151L97.8Very high97.4Very high33 Ų3373.5 Ų73.517%0.17340%0.401CS..Hα-helixtrans-59.9-45.9175-173.867.5000111.7Y36 F39 L141 I144 D147 N149 L153 Y154 E155Y36-L151 HydrophobicContact CE1-CD2 4.05Å; F39-L151 HydrophobicContact CE2-CD1 4.05Å; F39-L151 HydrophobicContact CE2-CG 4.49Å; F39-L151 HydrophobicContact CZ-CD1 3.77Å; L141-L151 HydrophobicContact CD2-CD1 3.98Å; I144-L151 HydrophobicContact CG2-CB 4.07Å; D147-L151 PolarHBondContact O-N 3.46Å; N149-L151 VanDerWaalsContact C-N 3.34Å; L151-L153 PolarHBondContact O-N 3.24Å; L151-Y154 PolarHBondContact O-N 3.22Å; L151-E155 WeakPolarHBondContact O-CB 3.45Å; L151-E155 PolarHBondContact O-N 2.9Å
152Y96.9Very high97.4Very high123 Ų12377.4 Ų77.448%0.48243%0.426SS..Hα-helixtrans-63.8-37.9178.7177.9-108.7000113.1S148 N149 A150 K156S148-Y152 WeakPolarHBondContact O-CB 3.41Å; S148-Y152 PolarHBondContact O-N 3.34Å; N149-Y152 PolarHBondContact O-N 3.08Å; A150-Y152 PolarHBondContact O-N 3.49Å; Y152-K156 HydrophobicContact CE1-CD 4.17Å; Y152-K156 VanDerWaalsContact CE1-CE 3.43Å; Y152-K156 VanDerWaalsContact CE1-NZ 3.26Å; Y152-K156 VanDerWaalsContact CZ-NZ 3.34Å; Y152-K156 PolarHBondContact O-N 3.29Å; Y152-K156 WeakPolarHBondContact OH-CE 3.29Å; Y152-K156 PolarHBondContact OH-NZ 3.47Å
153L97.7Very high97.4Very high117 Ų11775 Ų7561%0.61341%0.409SS*.Hα-helixtrans-65.4-41.9173.8-70.4174.6000111.3N149 A150 L151 K156 E157N149-L153 WeakPolarHBondContact O-CG 3.43Å; N149-L153 PolarHBondContact O-N 3.39Å; N149-L153 VanDerWaalsContact O-N 3.08Å; A150-L153 PolarHBondContact O-N 3.02Å; L151-L153 PolarHBondContact O-N 3.24Å; L153-K156 PolarHBondContact O-N 3.49Å; L153-E157 PolarHBondContact O-N 3.22Å
154Y97.9Very high97.2Very high12 Ų1272.2 Ų72.25%0.04741%0.407CS..Hα-helixtrans-68.4-39.3179.2-166.3-126.2000112.6F39 H137 Y140 L141 I144 A150 L151 K156 E157 L158F39-Y154 HydrophobicContact CE1-CD1 4.27Å; F39-Y154 HydrophobicContact CZ-CD1 4.16Å; H137-Y154 AromaticContact ND1-CZ 3.68Å; H137-Y154 PolarHBondContact ND1-OH 3.46Å; Y140-Y154 WeakPolarHBondContact CB-OH 3.4Å; Y140-Y154 HydrophobicContact CD1-CE2 4.34Å; Y140-Y154 HydrophobicContact CD2-CE2 4.47Å; Y140-Y154 HydrophobicContact CG-CE2 4.08Å; Y140-Y154 AromaticContact CG-CZ 3.98Å; L141-Y154 HydrophobicContact CD2-CD1 4.1Å; L141-Y154 HydrophobicContact CD2-CE1 4.18Å; L141-Y154 HydrophobicContact CG-CE1 4.22Å; I144-Y154 HydrophobicContact CD1-CD1 3.89Å; I144-Y154 HydrophobicContact CD1-CG 3.91Å; A150-Y154 WeakPolarHBondContact O-CB 3.27Å; A150-Y154 PolarHBondContact O-N 2.94Å; L151-Y154 PolarHBondContact O-N 3.22Å; Y154-K156 VanDerWaalsContact C-N 3.29Å; Y154-K156 PolarHBondContact O-N 2.9Å; Y154-E157 WeakPolarHBondContact O-CB 3.46Å; Y154-E157 PolarHBondContact O-N 2.9Å; Y154-E157 VanDerWaalsContact O-N 3.14Å; Y154-L158 HydrophobicContact CD1-CD1 3.94Å; Y154-L158 HydrophobicContact CE1-CD1 3.75Å; Y154-L158 HydrophobicContact CE1-CG 4.34Å; Y154-L158 WeakPolarHBondContact O-CG 3.26Å; Y154-L158 PolarHBondContact O-N 2.86Å
155E97.6Very high96.6Very high27 Ų2778 Ų7813%0.12643%0.433CS..Hα-helixtrans-55.4-45.2172.4-179.7177.8-170.700111.6Y36 E37 G38 F39 L151 E157 L158 G159Y36-E155 VanDerWaalsContact CA-OE1 3.24Å; Y36-E155 WeakPolarHBondContact CA-OE1 3.4Å; E37-E155 PolarHBondContact N-OE1 3.38Å; G38-E155 WeakPolarHBondContact CA-O 3.41Å; G38-E155 PolarHBondContact N-OE1 3.25Å; G38-E155 VanDerWaalsContact N-OE1 3.1Å; F39-E155 HydrophobicContact CD2-CB 3.98Å; F39-E155 HydrophobicContact CD2-CG 3.74Å; F39-E155 HydrophobicContact CE2-CB 3.6Å; F39-E155 HydrophobicContact CE2-CG 3.9Å; F39-E155 HydrophobicContact CZ-CB 4.42Å; L151-E155 WeakPolarHBondContact O-CB 3.45Å; L151-E155 PolarHBondContact O-N 2.9Å; E155-E157 VanDerWaalsContact C-N 3.31Å; E155-E157 PolarHBondContact O-N 3.46Å; E155-L158 PolarHBondContact O-N 3.06Å; E155-G159 PolarHBondContact O-N 2.72Å
156K97.8Very high95.1Very high117 Ų11787.3 Ų87.351%0.50946%0.461SS..Hα-helixtrans-62.4-37.9177.1-78.2-175.3172.8174.20113.1Y152 L153 Y154 G159 A160Y152-K156 HydrophobicContact CE1-CD 4.17Å; Y152-K156 VanDerWaalsContact CE1-CE 3.43Å; Y152-K156 VanDerWaalsContact CE1-NZ 3.26Å; Y152-K156 VanDerWaalsContact CZ-NZ 3.34Å; Y152-K156 PolarHBondContact O-N 3.29Å; Y152-K156 WeakPolarHBondContact OH-CE 3.29Å; Y152-K156 PolarHBondContact OH-NZ 3.47Å; L153-K156 PolarHBondContact O-N 3.49Å; Y154-K156 VanDerWaalsContact C-N 3.29Å; Y154-K156 PolarHBondContact O-N 2.9Å; K156-G159 PolarHBondContact O-N 3.09Å; K156-A160 PolarHBondContact O-N 3.22Å
157E97.4Very high95.1Very high133 Ų13383.6 Ų83.662%0.62144%0.441SS*.Hα-helixtrans-63.7-48.7176.5-174.4-179.7156.500110.7L153 Y154 E155 G159 A160L153-E157 PolarHBondContact O-N 3.22Å; Y154-E157 WeakPolarHBondContact O-CB 3.46Å; Y154-E157 PolarHBondContact O-N 2.9Å; Y154-E157 VanDerWaalsContact O-N 3.14Å; E155-E157 VanDerWaalsContact C-N 3.31Å; E155-E157 PolarHBondContact O-N 3.46Å; E157-G159 VanDerWaalsContact C-N 3.31Å; E157-G159 PolarHBondContact O-N 3.04Å; E157-A160 WeakPolarHBondContact O-CB 3.41Å; E157-A160 PolarHBondContact O-N 3.4Å; E157-A160 VanDerWaalsContact O-N 3.14Å
158L97.7Very high95Very high9 Ų983.9 Ų83.95%0.04744%0.442CS..Hα-helixtrans-64.8-35.1176.5-66.7176.9000112.8G38 F39 F42 F87 H137 Y154 E155 A160 R161G38-L158 CarbonylContact O-C 3.57Å; F39-L158 HydrophobicContact CD1-CD1 3.36Å; F39-L158 HydrophobicContact CE1-CD1 3.17Å; F39-L158 HydrophobicContact CG-CD1 4.31Å; F39-L158 HydrophobicContact CZ-CD1 4Å; F42-L158 HydrophobicContact CB-CB 4.17Å; F42-L158 HydrophobicContact CD2-CD2 3.74Å; F42-L158 HydrophobicContact CE2-CD2 4.11Å; F42-L158 HydrophobicContact CG-CD2 4.4Å; F87-L158 HydrophobicContact CZ-CD1 4.15Å; H137-L158 WeakPolarHBondContact CE1-CD2 3.28Å; Y154-L158 HydrophobicContact CD1-CD1 3.94Å; Y154-L158 HydrophobicContact CE1-CD1 3.75Å; Y154-L158 HydrophobicContact CE1-CG 4.34Å; Y154-L158 WeakPolarHBondContact O-CG 3.26Å; Y154-L158 PolarHBondContact O-N 2.86Å; E155-L158 PolarHBondContact O-N 3.06Å; L158-A160 PolarHBondContact O-N 2.95Å; L158-A160 VanDerWaalsContact O-N 3.16Å; L158-R161 WeakPolarHBondContact O-CB 3.44Å; L158-R161 PolarHBondContact O-N 2.98Å; L158-R161 VanDerWaalsContact O-N 3.08Å
159G98.2Very high94.9Very high29 Ų2983.9 Ų83.930%0.29943%0.434SS..THydrogen-bonded Turntrans-63.7-15.3175.300000114.1G38 N41 E155 K156 E157G38-G159 WeakPolarHBondContact O-CA 3.46Å; G38-G159 PolarHBondContact O-N 3.42Å; N41-G159 PolarHBondContact ND2-O 3.3Å; E155-G159 PolarHBondContact O-N 2.72Å; K156-G159 PolarHBondContact O-N 3.09Å; E157-G159 VanDerWaalsContact C-N 3.31Å; E157-G159 PolarHBondContact O-N 3.04Å
160A98Very high94.8Very high77 Ų7781.8 Ų81.864%0.63642%0.422SS*.THydrogen-bonded Turntrans-87.3-7.7175.600000113.6K156 E157 L158 T162K156-A160 PolarHBondContact O-N 3.22Å; E157-A160 WeakPolarHBondContact O-CB 3.41Å; E157-A160 PolarHBondContact O-N 3.4Å; E157-A160 VanDerWaalsContact O-N 3.14Å; L158-A160 PolarHBondContact O-N 2.95Å; L158-A160 VanDerWaalsContact O-N 3.16Å; A160-T162 PolarHBondContact O-N 3.28Å
161R97.8Very high94.6Very high45 Ų4585 Ų8517%0.1743%0.432CS..  trans-58.9136.7177.9-175177.6178.6-170.43.6110.3N41 F42 Q45 E49 L158N41-R161 PolarHBondContact ND2-O 3.21Å; F42-R161 VanDerWaalsContact CD2-CD 3.45Å; Q45-R161 HydrophobicContact CB-CG 4.09Å; Q45-R161 HydrophobicContact CG-CB 4.43Å; Q45-R161 HydrophobicContact CG-CG 4.21Å; Q45-R161 VanDerWaalsContact CG-O 3.28Å; Q45-R161 WeakPolarHBondContact CG-O 3.34Å; E49-R161 IonicContact OE2-CZ 3.99Å; E49-R161 IonicContact OE2-NH2 3.75Å; E49-R161 PolarHBondContact OE2-NH2 3.21Å; L158-R161 WeakPolarHBondContact O-CB 3.44Å; L158-R161 PolarHBondContact O-N 2.98Å; L158-R161 VanDerWaalsContact O-N 3.08Å
162T97.9Very high94.4Very high95 Ų9588.5 Ų88.558%0.58345%0.449SS*.  trans-128.6143.3165.654.40000108.3A160A160-T162 PolarHBondContact O-N 3.28Å
163F97.6Very high94.2Very high29 Ų2986 Ų8613%0.12745%0.447CS..  trans-102.8125.7167.1173-102000108.3Q45 K48 E49 F52 E165Q45-F163 HydrophobicContact CB-CB 4.18Å; K48-F163 HydrophobicContact CB-CB 4.39Å; K48-F163 HydrophobicContact CB-CD1 3.67Å; K48-F163 HydrophobicContact CB-CE1 4.39Å; K48-F163 HydrophobicContact CB-CG 4.3Å; E49-F163 HydrophobicContact CB-CD2 3.58Å; E49-F163 HydrophobicContact CB-CE2 3.67Å; E49-F163 HydrophobicContact CB-CG 4.05Å; E49-F163 HydrophobicContact CB-CZ 4.19Å; E49-F163 HydrophobicContact CG-CD2 3.74Å; E49-F163 HydrophobicContact CG-CE2 3.51Å; E49-F163 HydrophobicContact CG-CZ 4.27Å; F52-F163 HydrophobicContact CB-CE1 3.8Å; F52-F163 HydrophobicContact CB-CZ 3.59Å; F52-F163 AromaticContact CD1-CZ 3.85Å; F52-F163 HydrophobicContact CD1-CZ 3.85Å; F52-F163 HydrophobicContact CD2-CZ 4.44Å; F52-F163 HydrophobicContact CG-CE1 4.25Å; F52-F163 AromaticContact CG-CZ 3.73Å; F52-F163 HydrophobicContact CG-CZ 3.73Å; F163-E165 HydrophobicContact CE1-CG 3.78Å; F163-E165 HydrophobicContact CZ-CG 4.36Å
164D93.6Very high93.9Very high114 Ų11483.6 Ų83.661%0.6143%0.434SS*.  trans-119.8134.4176.1-66.6-51.1000108.3E166D164-E166 PolarHBondContact O-N 3.22Å
165E85.5Confident93.6Very high146 Ų14689.6 Ų89.668%0.68247%0.466SS*.  trans-776.2-173.2-65176.9-165.700114.4F52 F163F52-E165 HydrophobicContact CD2-CB 4.15Å; F52-E165 HydrophobicContact CD2-CG 3.93Å; F52-E165 HydrophobicContact CE2-CB 4.05Å; F52-E165 HydrophobicContact CE2-CG 4.35Å; F163-E165 HydrophobicContact CE1-CG 3.78Å; F163-E165 HydrophobicContact CZ-CG 4.36Å
166E63.8Low93.2Very high254 Ų25495.3 Ų95.3100%1.18750%0.497SS*.  trans-78.20-175.1-69-168.5169.900113.1D164D164-E166 PolarHBondContact O-N 3.22Å

Retrieved 166 of 166 residues in 879.1 ms (Link to these results)

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