A0A3Q0KEY5_SCHMA Loading...

Uncharacterized protein

AlphaFold DB (Q15ER3), UniProt , Accession A0A3Q0KEY5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 152 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
1M62.6Low77.6Confident153 Ų153102.7 Ų102.775%0.75448%0.478SS*.  0118.60-151.689.9179.800107.9D5 R6 D9M1-D5 HydrophobicContact CE-CB 3.9Å; M1-D5 HydrophobicContact CG-CB 4.1Å; M1-R6 HydrophobicContact CG-CG 4.48Å; M1-D9 WeakPolarHBondContact CE-OD2 3.29Å
2S83.2Confident78Confident52 Ų52100 Ų10036%0.36448%0.476SS..  trans-76.7158.5175.682.80000110F4 D5 R6S2-F4 PolarHBondContact O-N 3.45Å; S2-F4 PolarHBondContact OG-N 3.49Å; S2-D5 WeakPolarHBondContact CB-OD2 3.26Å; S2-D5 PolarHBondContact N-OD2 3.09Å; S2-D5 PolarHBondContact O-N 3.17Å; S2-D5 VanDerWaalsContact O-N 3.09Å; S2-D5 VanDerWaalsContact OG-CG 3.32Å; S2-D5 PolarHBondContact OG-N 3.25Å; S2-D5 PolarHBondContact OG-OD2 3.44Å; S2-R6 PolarHBondContact O-N 2.96Å
3I80Confident78.7Confident100 Ų10094.8 Ų94.851%0.51345%0.453SS..Hα-helixtrans-58-31.4176.8-162.2174.2000112.1R6 F7I3-R6 PolarHBondContact O-N 3.36Å; I3-F7 HydrophobicContact CD1-CE2 3.81Å; I3-F7 HydrophobicContact CD1-CZ 4.44Å; I3-F7 HydrophobicContact CG1-CD2 3.97Å; I3-F7 HydrophobicContact CG1-CE2 3.57Å; I3-F7 HydrophobicContact CG1-CZ 4.43Å; I3-F7 WeakPolarHBondContact O-CD2 3.34Å; I3-F7 PolarHBondContact O-N 3.39Å
4F80.7Confident79.3Confident150 Ų15098.2 Ų98.266%0.65846%0.459SS*.Hα-helixtrans-67.9-35.5176.8-70.4-76.7000112.8S2 F7 R8S2-F4 PolarHBondContact O-N 3.45Å; S2-F4 PolarHBondContact OG-N 3.49Å; F4-F7 PolarHBondContact O-N 2.93Å; F4-R8 VanDerWaalsContact O-CB 3.29Å; F4-R8 WeakPolarHBondContact O-CB 3.45Å; F4-R8 PolarHBondContact O-N 3.44Å
5D81.7Confident80Confident53 Ų5397.3 Ų97.328%0.28346%0.457SS..Hα-helixtrans-68.2-40.7175.8-53.3-49.4000110M1 S2 F7 R8 D9M1-D5 HydrophobicContact CE-CB 3.9Å; M1-D5 HydrophobicContact CG-CB 4.1Å; S2-D5 WeakPolarHBondContact CB-OD2 3.26Å; S2-D5 PolarHBondContact N-OD2 3.09Å; S2-D5 PolarHBondContact O-N 3.17Å; S2-D5 VanDerWaalsContact O-N 3.09Å; S2-D5 VanDerWaalsContact OG-CG 3.32Å; S2-D5 PolarHBondContact OG-N 3.25Å; S2-D5 PolarHBondContact OG-OD2 3.44Å; D5-F7 PolarHBondContact O-N 3.49Å; D5-R8 WeakPolarHBondContact O-CB 3.16Å; D5-R8 PolarHBondContact O-N 3.31Å; D5-R8 VanDerWaalsContact O-N 3.15Å; D5-R8 IonicContact OD1-NH1 3.94Å; D5-D9 PolarHBondContact O-N 3.1Å
6R76Confident80.6Confident112 Ų11295.5 Ų95.542%0.42345%0.445SS..Hα-helixtrans-59.5-48.3172.6-93.8-166.3-75-133.5-2.3112.6M1 S2 I3 R8 D9 I10M1-R6 HydrophobicContact CG-CG 4.48Å; S2-R6 PolarHBondContact O-N 2.96Å; I3-R6 PolarHBondContact O-N 3.36Å; R6-R8 PolarHBondContact O-N 2.94Å; R6-D9 PolarHBondContact O-N 2.85Å; R6-I10 WeakPolarHBondContact O-CB 3.23Å; R6-I10 WeakPolarHBondContact O-CD1 3.4Å; R6-I10 WeakPolarHBondContact O-CG1 3.34Å; R6-I10 PolarHBondContact O-N 3.13Å
7F76.5Confident81.3Confident132 Ų13291.1 Ų91.158%0.57943%0.425SS*.Hα-helixtrans-60.4-38175.6-77-60.7000111.9I3 F4 D5 E11I3-F7 HydrophobicContact CD1-CE2 3.81Å; I3-F7 HydrophobicContact CD1-CZ 4.44Å; I3-F7 HydrophobicContact CG1-CD2 3.97Å; I3-F7 HydrophobicContact CG1-CE2 3.57Å; I3-F7 HydrophobicContact CG1-CZ 4.43Å; I3-F7 WeakPolarHBondContact O-CD2 3.34Å; I3-F7 PolarHBondContact O-N 3.39Å; F4-F7 PolarHBondContact O-N 2.93Å; D5-F7 PolarHBondContact O-N 3.49Å; F7-E11 PolarHBondContact O-N 2.93Å
8R79.2Confident81.9Confident166 Ų16689.3 Ų89.363%0.62643%0.425SS*.Hα-helixtrans-66.6-35.9177.7-176.6177-65.51390.9112.9F4 D5 R6 P12F4-R8 VanDerWaalsContact O-CB 3.29Å; F4-R8 WeakPolarHBondContact O-CB 3.45Å; F4-R8 PolarHBondContact O-N 3.44Å; D5-R8 WeakPolarHBondContact O-CB 3.16Å; D5-R8 PolarHBondContact O-N 3.31Å; D5-R8 VanDerWaalsContact O-N 3.15Å; D5-R8 IonicContact OD1-NH1 3.94Å; R6-R8 PolarHBondContact O-N 2.94Å; R8-P12 WeakPolarHBondContact O-CD 3.3Å; R8-P12 WeakPolarHBondContact O-CG 3.38Å
9D77.3Confident82.6Confident64 Ų6489.3 Ų89.334%0.34243%0.426SS..Hα-helixtrans-80.3-31.8178.9-65.6-26.3000112.2M1 D5 R6 P12M1-D9 WeakPolarHBondContact CE-OD2 3.29Å; D5-D9 PolarHBondContact O-N 3.1Å; R6-D9 PolarHBondContact O-N 2.85Å; D9-P12 VanDerWaalsContact O-CD 3.31Å; D9-P12 WeakPolarHBondContact O-CD 3.21Å; D9-P12 WeakPolarHBondContact O-CG 3.49Å
10I74.6Confident83.2Confident52 Ų5285.8 Ų85.827%0.26741%0.41SS..Hα-helixtrans-64.8-40.4177.8-75.4166.7000112.4R6 D13 R14 L149R6-I10 WeakPolarHBondContact O-CB 3.23Å; R6-I10 WeakPolarHBondContact O-CD1 3.4Å; R6-I10 WeakPolarHBondContact O-CG1 3.34Å; R6-I10 PolarHBondContact O-N 3.13Å; I10-D13 PolarHBondContact O-N 3.42Å; I10-R14 WeakPolarHBondContact O-CB 3.45Å; I10-R14 PolarHBondContact O-N 2.97Å; I10-L149 HydrophobicContact CG1-CD2 4.4Å; I10-L149 HydrophobicContact CG2-CD2 3.71Å
11E81.5Confident83.8Confident96 Ų9683.4 Ų83.445%0.44940%0.403SS..Hα-helixtrans-62.7-53-176.2-165.261-149.200114F7 D13 R14 I15F7-E11 PolarHBondContact O-N 2.93Å; E11-D13 VanDerWaalsContact C-N 3.28Å; E11-D13 PolarHBondContact O-N 2.95Å; E11-R14 PolarHBondContact O-N 3.29Å; E11-I15 HydrophobicContact CG-CD1 4.23Å; E11-I15 WeakPolarHBondContact O-CG1 3.3Å; E11-I15 PolarHBondContact O-N 3.29Å
12P83.3Confident85.4Confident70 Ų7081.3 Ų81.346%0.45539%0.394SS..Hα-helixtrans-64.5-33.2177.826.6-34.7000112R8 D9 I15 R16R8-P12 WeakPolarHBondContact O-CD 3.3Å; R8-P12 WeakPolarHBondContact O-CG 3.38Å; D9-P12 VanDerWaalsContact O-CD 3.31Å; D9-P12 WeakPolarHBondContact O-CD 3.21Å; D9-P12 WeakPolarHBondContact O-CG 3.49Å; P12-I15 PolarHBondContact O-N 2.88Å; P12-R16 WeakPolarHBondContact O-CB 3.11Å; P12-R16 PolarHBondContact O-N 2.82Å
13D86.8Confident86.1Confident32 Ų3282.6 Ų82.617%0.17140%0.395CS..Hα-helixtrans-66.5-41.8175.5-82.9-25.7000111.9I10 E11 R16 N17 K147I10-D13 PolarHBondContact O-N 3.42Å; E11-D13 VanDerWaalsContact C-N 3.28Å; E11-D13 PolarHBondContact O-N 2.95Å; D13-R16 PolarHBondContact O-N 3.03Å; D13-R16 IonicContact OD1-CZ 3.18Å; D13-R16 IonicContact OD1-NH1 3.2Å; D13-R16 PolarHBondContact OD1-NH1 3.43Å; D13-R16 IonicContact OD1-NH2 2.89Å; D13-R16 PolarHBondContact OD1-NH2 3.3Å; D13-N17 WeakPolarHBondContact O-CB 3.43Å; D13-N17 PolarHBondContact O-N 3.09Å; D13-N17 PolarHBondContact O-ND2 3.04Å; D13-N17 PolarHBondContact O-OD1 2.66Å; D13-K147 IonicContact OD1-NZ 3.63Å
14R87.2Confident86.9Confident143 Ų14377.8 Ų77.854%0.5437%0.371SS..Hα-helixtrans-61.5-47174179.9-178.5-72.8171-3.9111.4I10 E11 N17 S18I10-R14 WeakPolarHBondContact O-CB 3.45Å; I10-R14 PolarHBondContact O-N 2.97Å; E11-R14 PolarHBondContact O-N 3.29Å; R14-N17 PolarHBondContact O-N 3.29Å; R14-S18 PolarHBondContact O-N 2.85Å
15I89.9Confident87.7Confident85 Ų8572.5 Ų72.544%0.43636%0.358SS..Hα-helixtrans-60.8-47.4178-67.6168.1000110.2E11 P12 N17 S18 I19E11-I15 HydrophobicContact CG-CD1 4.23Å; E11-I15 WeakPolarHBondContact O-CG1 3.3Å; E11-I15 PolarHBondContact O-N 3.29Å; P12-I15 PolarHBondContact O-N 2.88Å; I15-N17 PolarHBondContact O-N 3.36Å; I15-S18 PolarHBondContact O-N 3.33Å; I15-I19 HydrophobicContact CG2-CD1 3.73Å; I15-I19 HydrophobicContact CG2-CG1 4.42Å; I15-I19 WeakPolarHBondContact O-CG1 3.49Å; I15-I19 PolarHBondContact O-N 2.97Å
16R89.6Confident88.5Confident68 Ų6876.1 Ų76.126%0.25737%0.372SS..Hα-helixtrans-57.3-49.8176.1-176.9-164.660.4-110.5-23.9110.8P12 D13 S18 I19 V20 K147P12-R16 WeakPolarHBondContact O-CB 3.11Å; P12-R16 PolarHBondContact O-N 2.82Å; D13-R16 PolarHBondContact O-N 3.03Å; D13-R16 IonicContact OD1-CZ 3.18Å; D13-R16 IonicContact OD1-NH1 3.2Å; D13-R16 PolarHBondContact OD1-NH1 3.43Å; D13-R16 IonicContact OD1-NH2 2.89Å; D13-R16 PolarHBondContact OD1-NH2 3.3Å; R16-S18 PolarHBondContact O-N 3.35Å; R16-I19 PolarHBondContact O-N 3.25Å; R16-I19 VanDerWaalsContact O-N 3.15Å; R16-V20 HydrophobicContact CG-CG2 4.01Å; R16-V20 WeakPolarHBondContact O-CB 3.37Å; R16-V20 VanDerWaalsContact O-CG2 3.27Å; R16-V20 WeakPolarHBondContact O-CG2 3.39Å; R16-V20 PolarHBondContact O-N 3.32Å; R16-K147 VanDerWaalsContact CZ-CD 3.45Å; R16-K147 VanDerWaalsContact CZ-CE 3.48Å; R16-K147 VanDerWaalsContact CZ-CG 3.48Å; R16-K147 VanDerWaalsContact NH1-NZ 3.13Å
17N91.8Very high89.5Confident20 Ų2072.3 Ų72.311%0.10736%0.36CS..Hα-helixtrans-59-38.7-178-70.3-6.2000111.7D13 R14 I15 S21 R146 K147D13-N17 WeakPolarHBondContact O-CB 3.43Å; D13-N17 PolarHBondContact O-N 3.09Å; D13-N17 PolarHBondContact O-ND2 3.04Å; D13-N17 PolarHBondContact O-OD1 2.66Å; R14-N17 PolarHBondContact O-N 3.29Å; I15-N17 PolarHBondContact O-N 3.36Å; N17-S21 WeakPolarHBondContact O-CB 3.33Å; N17-S21 PolarHBondContact O-N 3.47Å; N17-S21 PolarHBondContact O-OG 3.43Å; N17-R146 HydrophobicContact CB-CG 4.44Å; N17-R146 WeakPolarHBondContact OD1-CA 3.45Å; N17-K147 PolarHBondContact ND2-O 2.94Å; N17-K147 PolarHBondContact OD1-N 3.25Å
18S92.6Very high90.5Very high60 Ų6068.6 Ų68.642%0.4234%0.343SS..Hα-helixtrans-67.5-43.7175.3-170.90000112.5R14 I15 R16 S21 I22R14-S18 PolarHBondContact O-N 2.85Å; I15-S18 PolarHBondContact O-N 3.33Å; R16-S18 PolarHBondContact O-N 3.35Å; S18-S21 PolarHBondContact O-OG 3.25Å; S18-I22 WeakPolarHBondContact O-CB 3.44Å; S18-I22 WeakPolarHBondContact O-CD1 3.45Å; S18-I22 WeakPolarHBondContact O-CG1 3.32Å; S18-I22 PolarHBondContact O-N 3.3Å; S18-I22 VanDerWaalsContact O-N 3.08Å
19I94.9Very high91.4Very high89 Ų8963.3 Ų63.346%0.45634%0.335SS..Hα-helixtrans-63.7-46.5178-68.9168.4000110.2I15 R16 S21 I22 I23I15-I19 HydrophobicContact CG2-CD1 3.73Å; I15-I19 HydrophobicContact CG2-CG1 4.42Å; I15-I19 WeakPolarHBondContact O-CG1 3.49Å; I15-I19 PolarHBondContact O-N 2.97Å; R16-I19 PolarHBondContact O-N 3.25Å; R16-I19 VanDerWaalsContact O-N 3.15Å; I19-S21 PolarHBondContact O-N 3.19Å; I19-I22 PolarHBondContact O-N 3.02Å; I19-I23 HydrophobicContact CG2-CD1 3.67Å; I19-I23 HydrophobicContact CG2-CG1 4.36Å; I19-I23 VanDerWaalsContact O-CG1 3.3Å; I19-I23 WeakPolarHBondContact O-CG1 3.21Å; I19-I23 PolarHBondContact O-N 3.01Å
20V95.3Very high92.4Very high18 Ų1863 Ų6311%0.10933%0.333CS..Hα-helixtrans-61-43.9179.91690000111.3R16 I23 A24 L141 R146R16-V20 HydrophobicContact CG-CG2 4.01Å; R16-V20 WeakPolarHBondContact O-CB 3.37Å; R16-V20 VanDerWaalsContact O-CG2 3.27Å; R16-V20 WeakPolarHBondContact O-CG2 3.39Å; R16-V20 PolarHBondContact O-N 3.32Å; V20-I23 PolarHBondContact O-N 3.13Å; V20-A24 WeakPolarHBondContact O-CB 3.46Å; V20-A24 PolarHBondContact O-N 3.42Å; V20-L141 HydrophobicContact CG1-CD1 3.89Å; V20-L141 HydrophobicContact CG1-CG 3.89Å; V20-L141 VanDerWaalsContact CG1-O 3.28Å; V20-L141 WeakPolarHBondContact CG1-O 3.37Å; V20-R146 HydrophobicContact CG1-CG 4.19Å
21S94.6Very high93.5Very high36 Ų3660.5 Ų60.525%0.25232%0.321SS..Hα-helixtrans-66.8-37178.564.30000112.3N17 S18 I19 A24 G25N17-S21 WeakPolarHBondContact O-CB 3.33Å; N17-S21 PolarHBondContact O-N 3.47Å; N17-S21 PolarHBondContact O-OG 3.43Å; S18-S21 PolarHBondContact O-OG 3.25Å; I19-S21 PolarHBondContact O-N 3.19Å; S21-A24 PolarHBondContact O-N 3.1Å; S21-G25 PolarHBondContact O-N 3.11Å
22I96.8Very high94.3Very high110 Ų11059.5 Ų59.556%0.56431%0.313SS*.Hα-helixtrans-63.1-49.1174.6-70164.4000110.5S18 I19 A24 G25 F26S18-I22 WeakPolarHBondContact O-CB 3.44Å; S18-I22 WeakPolarHBondContact O-CD1 3.45Å; S18-I22 WeakPolarHBondContact O-CG1 3.32Å; S18-I22 PolarHBondContact O-N 3.3Å; S18-I22 VanDerWaalsContact O-N 3.08Å; I19-I22 PolarHBondContact O-N 3.02Å; I22-A24 VanDerWaalsContact C-N 3.33Å; I22-A24 PolarHBondContact O-N 2.77Å; I22-G25 PolarHBondContact O-N 3.46Å; I22-F26 WeakPolarHBondContact O-CB 3.46Å; I22-F26 PolarHBondContact O-N 3.28Å
23I97.6Very high95Very high78 Ų7864.6 Ų64.640%0.432%0.323SS..Hα-helixtrans-61.3-44.5179.3-65.7168.2000110.2I19 V20 G25 F26 L27 L141I19-I23 HydrophobicContact CG2-CD1 3.67Å; I19-I23 HydrophobicContact CG2-CG1 4.36Å; I19-I23 VanDerWaalsContact O-CG1 3.3Å; I19-I23 WeakPolarHBondContact O-CG1 3.21Å; I19-I23 PolarHBondContact O-N 3.01Å; V20-I23 PolarHBondContact O-N 3.13Å; I23-G25 PolarHBondContact O-N 2.98Å; I23-F26 PolarHBondContact O-N 3.2Å; I23-L27 HydrophobicContact CG2-CD1 4.06Å; I23-L27 HydrophobicContact CG2-CG 4.35Å; I23-L27 VanDerWaalsContact O-CG 3.31Å; I23-L27 WeakPolarHBondContact O-CG 3.49Å; I23-L27 PolarHBondContact O-N 2.82Å; I23-L141 HydrophobicContact CB-CD2 4Å; I23-L141 HydrophobicContact CG2-CD2 3.52Å
24A96.9Very high95.5Very high0 Ų064.2 Ų64.20%032%0.321CS..Hα-helixtrans-61.3-45.5177.500000112V20 S21 I22 F26 L27 F28 S138 L141 F142V20-A24 WeakPolarHBondContact O-CB 3.46Å; V20-A24 PolarHBondContact O-N 3.42Å; S21-A24 PolarHBondContact O-N 3.1Å; I22-A24 VanDerWaalsContact C-N 3.33Å; I22-A24 PolarHBondContact O-N 2.77Å; A24-F26 VanDerWaalsContact C-N 3.33Å; A24-F26 PolarHBondContact O-N 3.38Å; A24-L27 PolarHBondContact O-N 3.47Å; A24-F28 PolarHBondContact O-N 3.34Å; A24-S138 WeakPolarHBondContact O-CB 3.28Å; A24-S138 PolarHBondContact O-OG 3.09Å; A24-L141 HydrophobicContact CB-CB 4.25Å; A24-L141 HydrophobicContact CB-CD2 4.12Å; A24-L141 HydrophobicContact CB-CG 4.19Å; A24-F142 HydrophobicContact CB-CB 3.81Å; A24-F142 HydrophobicContact CB-CD2 3.98Å; A24-F142 HydrophobicContact CB-CG 4.41Å
25G97.3Very high95.9Very high38 Ų3857.5 Ų57.539%0.39230%0.296SS..Hα-helixtrans-60.5-41.6175.800000112.6S21 I22 I23 F28 A29S21-G25 PolarHBondContact O-N 3.11Å; I22-G25 PolarHBondContact O-N 3.46Å; I23-G25 PolarHBondContact O-N 2.98Å; G25-F28 PolarHBondContact O-N 3.27Å; G25-A29 WeakPolarHBondContact O-CB 3.26Å; G25-A29 PolarHBondContact O-N 2.98Å
26F98.2Very high96.2Very high130 Ų13058 Ų5857%0.5730%0.298SS*.Hα-helixtrans-62.7-45.5175.4177.1-99.6000112.2I22 I23 A24 F28 A29 L30I22-F26 WeakPolarHBondContact O-CB 3.46Å; I22-F26 PolarHBondContact O-N 3.28Å; I23-F26 PolarHBondContact O-N 3.2Å; A24-F26 VanDerWaalsContact C-N 3.33Å; A24-F26 PolarHBondContact O-N 3.38Å; F26-F28 VanDerWaalsContact C-N 3.32Å; F26-F28 PolarHBondContact O-N 2.64Å; F26-A29 PolarHBondContact O-N 3.47Å; F26-L30 HydrophobicContact CE1-CD2 4.11Å; F26-L30 HydrophobicContact CZ-CD2 4.48Å; F26-L30 VanDerWaalsContact O-CB 3.3Å; F26-L30 WeakPolarHBondContact O-CB 3.35Å; F26-L30 PolarHBondContact O-N 3.45Å
27L98Very high96.4Very high31 Ų3158.2 Ų58.216%0.16231%0.305CS..Hα-helixtrans-61.7-39.9177.4-70.3172.2000112.1I23 A24 L30 G31 L134 I137 L141I23-L27 HydrophobicContact CG2-CD1 4.06Å; I23-L27 HydrophobicContact CG2-CG 4.35Å; I23-L27 VanDerWaalsContact O-CG 3.31Å; I23-L27 WeakPolarHBondContact O-CG 3.49Å; I23-L27 PolarHBondContact O-N 2.82Å; A24-L27 PolarHBondContact O-N 3.47Å; L27-L30 PolarHBondContact O-N 3.38Å; L27-G31 PolarHBondContact O-N 3.27Å; L27-L134 HydrophobicContact CD2-CD2 3.73Å; L27-I137 HydrophobicContact CD1-CG2 3.94Å; L27-L141 HydrophobicContact CD1-CD2 4.02Å
28F97.8Very high96.6Very high54 Ų5457.2 Ų57.224%0.23730%0.299CS..Hα-helixtrans-62.9-47.9175177-94.6000111.5A24 G25 F26 L30 G31 W32 T60 F63 I135A24-F28 PolarHBondContact O-N 3.34Å; G25-F28 PolarHBondContact O-N 3.27Å; F26-F28 VanDerWaalsContact C-N 3.32Å; F26-F28 PolarHBondContact O-N 2.64Å; F28-L30 VanDerWaalsContact C-N 3.34Å; F28-L30 PolarHBondContact O-N 2.84Å; F28-G31 PolarHBondContact O-N 3.15Å; F28-W32 AromaticContact CE1-CD1 3.68Å; F28-W32 AromaticContact CE2-CD1 3.79Å; F28-W32 AromaticContact CE2-NE1 3.62Å; F28-W32 AromaticContact CZ-CD1 3.43Å; F28-W32 VanDerWaalsContact CZ-CD1 3.43Å; F28-W32 AromaticContact CZ-NE1 3.34Å; F28-W32 VanDerWaalsContact CZ-NE1 3.34Å; F28-W32 PolarHBondContact O-N 3.48Å; F28-T60 HydrophobicContact CE2-CG2 3.91Å; F28-T60 HydrophobicContact CZ-CG2 3.92Å; F28-F63 HydrophobicContact CD2-CD1 4.09Å; F28-F63 HydrophobicContact CD2-CD2 4.31Å; F28-F63 HydrophobicContact CD2-CE1 4.17Å; F28-F63 HydrophobicContact CD2-CE2 4.41Å; F28-F63 HydrophobicContact CD2-CG 4.19Å; F28-F63 HydrophobicContact CD2-CZ 4.35Å; F28-F63 AromaticContact CE2-CD1 4Å; F28-F63 HydrophobicContact CE2-CD1 4Å; F28-F63 HydrophobicContact CE2-CE1 4.34Å; F28-F63 HydrophobicContact CE2-CG 4.31Å; F28-I135 HydrophobicContact CD2-CG1 4.08Å; F28-I135 HydrophobicContact CD2-CG2 4.33Å; F28-I135 HydrophobicContact CE2-CD1 4.5Å; F28-I135 HydrophobicContact CE2-CG1 4.44Å
29A98Very high96.6Very high55 Ų5555.9 Ų55.946%0.45529%0.292SS..Hα-helixtrans-61.9-42.1177.800000111.7G25 F26 G31 W32 W33G25-A29 WeakPolarHBondContact O-CB 3.26Å; G25-A29 PolarHBondContact O-N 2.98Å; F26-A29 PolarHBondContact O-N 3.47Å; A29-G31 VanDerWaalsContact C-N 3.35Å; A29-G31 PolarHBondContact O-N 3.29Å; A29-W32 PolarHBondContact O-N 2.87Å; A29-W33 WeakPolarHBondContact O-CB 3.47Å; A29-W33 PolarHBondContact O-N 2.9Å
30L98.3Very high96.5Very high58 Ų5856.8 Ų56.830%0.30430%0.301SS..Hα-helixtrans-63.6-39.7177.4-175.563.5000111.9F26 L27 F28 W33 I34 L134F26-L30 HydrophobicContact CE1-CD2 4.11Å; F26-L30 HydrophobicContact CZ-CD2 4.48Å; F26-L30 VanDerWaalsContact O-CB 3.3Å; F26-L30 WeakPolarHBondContact O-CB 3.35Å; F26-L30 PolarHBondContact O-N 3.45Å; L27-L30 PolarHBondContact O-N 3.38Å; F28-L30 VanDerWaalsContact C-N 3.34Å; F28-L30 PolarHBondContact O-N 2.84Å; L30-W33 PolarHBondContact O-N 3.35Å; L30-I34 HydrophobicContact CD1-CD1 4.29Å; L30-I34 HydrophobicContact CD1-CG1 4.43Å; L30-I34 HydrophobicContact CG-CD1 4.04Å; L30-I34 WeakPolarHBondContact O-CG1 3.42Å; L30-I34 PolarHBondContact O-N 3.02Å; L30-L134 HydrophobicContact CB-CD1 4.45Å; L30-L134 HydrophobicContact CD2-CD1 4.19Å; L30-L134 HydrophobicContact CG-CD1 4.06Å
31G97.9Very high96.3Very high0 Ų061.1 Ų61.10%032%0.323CS..Hα-helixtrans-60-46.4175.600000112.4L27 F28 A29 A35 Q131L27-G31 PolarHBondContact O-N 3.27Å; F28-G31 PolarHBondContact O-N 3.15Å; A29-G31 VanDerWaalsContact C-N 3.35Å; A29-G31 PolarHBondContact O-N 3.29Å; G31-A35 PolarHBondContact O-N 2.76Å; G31-Q131 WeakPolarHBondContact O-CB 3.36Å; G31-Q131 WeakPolarHBondContact O-CG 3.3Å
32W97.7Very high96Very high75 Ų7560.5 Ų60.528%0.28432%0.316SS..Hα-helixtrans-68.8-37.4175.3-85.4104.5000113.1F28 A29 A35 I36 V57 T60F28-W32 AromaticContact CE1-CD1 3.68Å; F28-W32 AromaticContact CE2-CD1 3.79Å; F28-W32 AromaticContact CE2-NE1 3.62Å; F28-W32 AromaticContact CZ-CD1 3.43Å; F28-W32 VanDerWaalsContact CZ-CD1 3.43Å; F28-W32 AromaticContact CZ-NE1 3.34Å; F28-W32 VanDerWaalsContact CZ-NE1 3.34Å; F28-W32 PolarHBondContact O-N 3.48Å; A29-W32 PolarHBondContact O-N 2.87Å; W32-A35 PolarHBondContact O-N 2.99Å; W32-I36 VanDerWaalsContact O-CG1 3.3Å; W32-I36 WeakPolarHBondContact O-CG1 3.29Å; W32-I36 PolarHBondContact O-N 2.85Å; W32-V57 HydrophobicContact CH2-CG2 4.31Å; W32-T60 HydrophobicContact CZ2-CG2 4.2Å; W32-T60 WeakPolarHBondContact CZ2-OG1 3.47Å; W32-T60 PolarHBondContact NE1-OG1 3.43Å
33W98Very high95.3Very high176 Ų17658.5 Ų58.567%0.66732%0.316SS*.Hα-helixtrans-57.4-50.7174.8179.5-89.6000111.5A29 L30 A35 I36 D37A29-W33 WeakPolarHBondContact O-CB 3.47Å; A29-W33 PolarHBondContact O-N 2.9Å; L30-W33 PolarHBondContact O-N 3.35Å; W33-A35 VanDerWaalsContact C-N 3.29Å; W33-A35 PolarHBondContact O-N 3.21Å; W33-I36 PolarHBondContact O-N 3.46Å; W33-D37 VanDerWaalsContact O-CB 3.29Å; W33-D37 WeakPolarHBondContact O-CB 3.14Å; W33-D37 PolarHBondContact O-N 2.86Å
34I97.1Very high94.4Very high24 Ų2464 Ų6412%0.12334%0.34CS..Hα-helixtrans-59.8-40179.2-70.6167.4000111.5L30 A38 A127 L130 L134L30-I34 HydrophobicContact CD1-CD1 4.29Å; L30-I34 HydrophobicContact CD1-CG1 4.43Å; L30-I34 HydrophobicContact CG-CD1 4.04Å; L30-I34 WeakPolarHBondContact O-CG1 3.42Å; L30-I34 PolarHBondContact O-N 3.02Å; I34-A38 WeakPolarHBondContact O-CB 3.37Å; I34-A38 PolarHBondContact O-N 3.18Å; I34-A127 HydrophobicContact CG2-CB 3.67Å; I34-L130 HydrophobicContact CD1-CB 4.46Å; I34-L130 HydrophobicContact CG2-CB 4.46Å; I34-L134 HydrophobicContact CD1-CD1 3.74Å
35A95.3Very high93.4Very high2 Ų269.7 Ų69.72%0.01737%0.371CS..Hα-helixtrans-68.7-39.7179.200000112.9G31 W32 W33 A39 Q131G31-A35 PolarHBondContact O-N 2.76Å; W32-A35 PolarHBondContact O-N 2.99Å; W33-A35 VanDerWaalsContact C-N 3.29Å; W33-A35 PolarHBondContact O-N 3.21Å; A35-A39 WeakPolarHBondContact O-CB 3.47Å; A35-A39 PolarHBondContact O-N 3.05Å; A35-Q131 HydrophobicContact CB-CB 4.24Å; A35-Q131 HydrophobicContact CB-CG 4.11Å; A35-Q131 VanDerWaalsContact CB-NE2 3.27Å
36I95.6Very high92.4Very high95 Ų9573.3 Ų73.349%0.48738%0.381SS..Hα-helixtrans-69.8-43.8177-67.4165.6000110.4W32 W33 A38 A39 V40W32-I36 VanDerWaalsContact O-CG1 3.3Å; W32-I36 WeakPolarHBondContact O-CG1 3.29Å; W32-I36 PolarHBondContact O-N 2.85Å; W33-I36 PolarHBondContact O-N 3.46Å; I36-A38 VanDerWaalsContact C-N 3.32Å; I36-A38 PolarHBondContact O-N 3.13Å; I36-A39 WeakPolarHBondContact O-CB 3.43Å; I36-A39 PolarHBondContact O-N 3.31Å; I36-A39 VanDerWaalsContact O-N 3.13Å; I36-V40 HydrophobicContact CG2-CG2 4.36Å; I36-V40 WeakPolarHBondContact O-CG2 3.25Å; I36-V40 PolarHBondContact O-N 2.94Å
37D95.5Very high91.8Very high73 Ų7367.4 Ų67.439%0.3936%0.356SS..Hα-helixtrans-55.4-48.3175.8-179.678.3000111W33 V40 L41W33-D37 VanDerWaalsContact O-CB 3.29Å; W33-D37 WeakPolarHBondContact O-CB 3.14Å; W33-D37 PolarHBondContact O-N 2.86Å; D37-V40 PolarHBondContact O-N 3.15Å; D37-L41 WeakPolarHBondContact O-CB 3.49Å; D37-L41 PolarHBondContact O-N 3.03Å
38A94.3Very high91.4Very high0 Ų066.5 Ų66.50%035%0.351CS..Hα-helixtrans-63.8-42.4174.200000112.7I34 I36 V40 L41 F42 L48 A127I34-A38 WeakPolarHBondContact O-CB 3.37Å; I34-A38 PolarHBondContact O-N 3.18Å; I36-A38 VanDerWaalsContact C-N 3.32Å; I36-A38 PolarHBondContact O-N 3.13Å; A38-V40 VanDerWaalsContact C-N 3.29Å; A38-V40 PolarHBondContact O-N 3.26Å; A38-L41 PolarHBondContact O-N 2.92Å; A38-F42 HydrophobicContact CB-CD2 4.44Å; A38-F42 WeakPolarHBondContact O-CB 3.44Å; A38-F42 WeakPolarHBondContact O-CD2 3.34Å; A38-F42 PolarHBondContact O-N 3.12Å; A38-F42 VanDerWaalsContact O-N 3.09Å; A38-L48 HydrophobicContact CB-CD1 4.31Å; A38-A127 HydrophobicContact CB-CB 3.49Å; A38-A127 VanDerWaalsContact CB-CB 3.49Å
39A92.9Very high91Very high31 Ų3165.8 Ų65.826%0.25635%0.352SS..Hα-helixtrans-59.4-41.3178.400000112A35 I36 A43A35-A39 WeakPolarHBondContact O-CB 3.47Å; A35-A39 PolarHBondContact O-N 3.05Å; I36-A39 WeakPolarHBondContact O-CB 3.43Å; I36-A39 PolarHBondContact O-N 3.31Å; I36-A39 VanDerWaalsContact O-N 3.13Å; A39-A43 WeakPolarHBondContact O-CB 3.43Å; A39-A43 PolarHBondContact O-N 2.91Å
40V93Very high90.5Very high108 Ų10869.4 Ų69.466%0.65536%0.364SS*.Hα-helixtrans-73-46.2180174.90000111.3I36 D37 A38 F42 A43I36-V40 HydrophobicContact CG2-CG2 4.36Å; I36-V40 WeakPolarHBondContact O-CG2 3.25Å; I36-V40 PolarHBondContact O-N 2.94Å; D37-V40 PolarHBondContact O-N 3.15Å; A38-V40 VanDerWaalsContact C-N 3.29Å; A38-V40 PolarHBondContact O-N 3.26Å; V40-F42 PolarHBondContact O-N 2.64Å; V40-A43 PolarHBondContact O-N 2.88Å
41L91.5Very high90.3Very high110 Ų11069.6 Ų69.658%0.57637%0.374SS*.Hα-helixtrans-64.6-27.8-177.6-175.457.6000112.7D37 A38D37-L41 WeakPolarHBondContact O-CB 3.49Å; D37-L41 PolarHBondContact O-N 3.03Å; A38-L41 PolarHBondContact O-N 2.92Å
42F88.8Confident90.1Very high22 Ų2272.8 Ų72.810%0.09639%0.386CS..THydrogen-bonded Turntrans-112.69.9-173.4-67.5-62.1000114.5A38 V40 E44 S47 L48 P121 W123 P124A38-F42 HydrophobicContact CB-CD2 4.44Å; A38-F42 WeakPolarHBondContact O-CB 3.44Å; A38-F42 WeakPolarHBondContact O-CD2 3.34Å; A38-F42 PolarHBondContact O-N 3.12Å; A38-F42 VanDerWaalsContact O-N 3.09Å; V40-F42 PolarHBondContact O-N 2.64Å; F42-E44 PolarHBondContact O-N 2.95Å; F42-S47 VanDerWaalsContact CB-OG 3.23Å; F42-S47 WeakPolarHBondContact CB-OG 3.17Å; F42-S47 VanDerWaalsContact CD1-OG 3.26Å; F42-S47 WeakPolarHBondContact CD1-OG 3.42Å; F42-L48 HydrophobicContact CB-CB 4.46Å; F42-P121 HydrophobicContact CD1-CG 3.87Å; F42-P121 HydrophobicContact CE1-CB 4.28Å; F42-P121 HydrophobicContact CE1-CG 3.2Å; F42-P121 HydrophobicContact CZ-CB 4.48Å; F42-P121 HydrophobicContact CZ-CG 3.8Å; F42-W123 HydrophobicContact CE2-CB 4.49Å; F42-W123 AromaticContact CE2-CD1 3.54Å; F42-W123 HydrophobicContact CE2-CG 4.39Å; F42-P124 HydrophobicContact CB-CG 4.43Å; F42-P124 HydrophobicContact CD1-CG 4.15Å; F42-P124 HydrophobicContact CD2-CB 4.26Å; F42-P124 HydrophobicContact CD2-CG 3.66Å; F42-P124 HydrophobicContact CE1-CG 4.47Å; F42-P124 HydrophobicContact CE2-CG 4.03Å; F42-P124 HydrophobicContact CG-CG 3.74Å; F42-P124 HydrophobicContact CZ-CG 4.4Å
43A81Confident89.9Confident69 Ų6971.3 Ų71.357%0.5738%0.383SS*.THydrogen-bonded Turntrans-60.2-43.7-178.800000113.2A39 V40 N45A39-A43 WeakPolarHBondContact O-CB 3.43Å; A39-A43 PolarHBondContact O-N 2.91Å; V40-A43 PolarHBondContact O-N 2.88Å; A43-N45 PolarHBondContact O-N 3.45Å
44E79.2Confident89.8Confident193 Ų19366.6 Ų66.690%0.90237%0.373SS*.THydrogen-bonded Turntrans-71.4-29.4-173.9-66.5-174.4168.200113.4F42F42-E44 PolarHBondContact O-N 2.95Å
45N76.4Confident89.7Confident120 Ų12065.7 Ų65.764%0.64237%0.369SS*.THydrogen-bonded Turntrans-93.2-0.2-174.4-68.3-46.6000113.7A43 S47A43-N45 PolarHBondContact O-N 3.45Å; N45-S47 PolarHBondContact O-N 3.44Å
46D76.8Confident89.8Confident113 Ų11365.6 Ų65.660%0.60437%0.368SS*.THydrogen-bonded Turntrans45.929.9-169.2-162.831.3000112.6L48D46-L48 VanDerWaalsContact C-N 3.26Å; D46-L48 PolarHBondContact O-N 3.29Å
47S84.7Confident89.9Confident7 Ų764.2 Ų64.25%0.04936%0.364CS..  trans-80.5-13.4-172.861.40000112.2F42 N45 Y114F42-S47 VanDerWaalsContact CB-OG 3.23Å; F42-S47 WeakPolarHBondContact CB-OG 3.17Å; F42-S47 VanDerWaalsContact CD1-OG 3.26Å; F42-S47 WeakPolarHBondContact CD1-OG 3.42Å; N45-S47 PolarHBondContact O-N 3.44Å; S47-Y114 WeakPolarHBondContact O-CE1 3.43Å; S47-Y114 PolarHBondContact O-OH 3.46Å
48L88.7Confident90Very high11 Ų1165.7 Ų65.76%0.05837%0.367CS..SBendtrans-117.995.6167-169.7147.2000108.8A38 F42 D46 N50 H53 P124 I128A38-L48 HydrophobicContact CB-CD1 4.31Å; F42-L48 HydrophobicContact CB-CB 4.46Å; D46-L48 VanDerWaalsContact C-N 3.26Å; D46-L48 PolarHBondContact O-N 3.29Å; L48-N50 PolarHBondContact O-N 3.28Å; L48-H53 WeakPolarHBondContact CD2-CE1 3.31Å; L48-H53 WeakPolarHBondContact CD2-NE2 3.16Å; L48-P124 HydrophobicContact CB-CB 3.96Å; L48-P124 HydrophobicContact CD1-CB 3.59Å; L48-P124 HydrophobicContact CG-CB 4.2Å; L48-I128 HydrophobicContact CD1-CD1 4.2Å; L48-I128 HydrophobicContact CD1-CG1 4.04Å
49P90.3Very high90.1Very high40 Ų4065.8 Ų65.826%0.2637%0.368SS..  trans-56135.5174.4-26.833.9000111.5A51 Y52P49-A51 PolarHBondContact O-N 3.27Å; P49-Y52 HydrophobicContact CB-CD2 4.44Å; P49-Y52 HydrophobicContact CG-CD2 4.2Å; P49-Y52 HydrophobicContact CG-CE2 3.9Å; P49-Y52 WeakPolarHBondContact O-CB 3.42Å; P49-Y52 PolarHBondContact O-N 2.91Å
50N88.5Confident90.4Very high130 Ų13065.2 Ų65.270%0.69536%0.361SS*.G310 helixtrans-53-28.6179.3-72.2-43000113.5L48 Y52 H53L48-N50 PolarHBondContact O-N 3.28Å; N50-Y52 PolarHBondContact O-N 3.3Å; N50-H53 PolarHBondContact O-N 3.42Å
51A92.5Very high90.6Very high63 Ų6363.4 Ų63.452%0.52135%0.347SS..G310 helixtrans-61.1-28.2176.400000113.3P49 H53 T54P49-A51 PolarHBondContact O-N 3.27Å; A51-H53 VanDerWaalsContact C-N 3.27Å; A51-H53 PolarHBondContact O-N 2.82Å; A51-T54 WeakPolarHBondContact O-CB 3.18Å; A51-T54 VanDerWaalsContact O-CG2 3.26Å; A51-T54 WeakPolarHBondContact O-CG2 3.41Å; A51-T54 PolarHBondContact O-N 3.39Å; A51-T54 PolarHBondContact O-OG1 3.48Å
52Y94.5Very high90.9Very high66 Ų6658.2 Ų58.226%0.25932%0.32SS..G310 helixtrans-72.3-20.8-178.7-66.6-11.1000113.2P49 N50 T54 I109 Y114P49-Y52 HydrophobicContact CB-CD2 4.44Å; P49-Y52 HydrophobicContact CG-CD2 4.2Å; P49-Y52 HydrophobicContact CG-CE2 3.9Å; P49-Y52 WeakPolarHBondContact O-CB 3.42Å; P49-Y52 PolarHBondContact O-N 2.91Å; N50-Y52 PolarHBondContact O-N 3.3Å; Y52-T54 PolarHBondContact O-N 2.93Å; Y52-I109 HydrophobicContact CD1-CD1 4.05Å; Y52-I109 HydrophobicContact CD1-CG1 3.91Å; Y52-I109 HydrophobicContact CD1-CG2 4.27Å; Y52-I109 HydrophobicContact CD2-CG2 3.63Å; Y52-I109 HydrophobicContact CE1-CG1 4.26Å; Y52-I109 HydrophobicContact CE2-CG2 4.01Å; Y52-I109 HydrophobicContact CG-CD1 4.16Å; Y52-I109 HydrophobicContact CG-CG1 4.18Å; Y52-I109 HydrophobicContact CG-CG2 3.78Å; Y52-Y114 HydrophobicContact CD2-CE2 4.05Å; Y52-Y114 AromaticContact CE2-CE2 3.78Å; Y52-Y114 HydrophobicContact CE2-CE2 3.78Å
53H94.2Very high91.2Very high45 Ų4558.6 Ų58.621%0.20832%0.322CS..Hα-helixtrans-66.5-19.7172-69.6-57.4000113.4L48 N50 A51 A55 G56 V57L48-H53 WeakPolarHBondContact CD2-CE1 3.31Å; L48-H53 WeakPolarHBondContact CD2-NE2 3.16Å; N50-H53 PolarHBondContact O-N 3.42Å; A51-H53 VanDerWaalsContact C-N 3.27Å; A51-H53 PolarHBondContact O-N 2.82Å; H53-A55 VanDerWaalsContact C-N 3.26Å; H53-A55 PolarHBondContact O-N 3.49Å; H53-G56 PolarHBondContact O-N 2.87Å; H53-G56 VanDerWaalsContact O-N 3.11Å; H53-V57 WeakPolarHBondContact O-CG2 3.44Å; H53-V57 PolarHBondContact O-N 3.46Å; H53-V57 VanDerWaalsContact O-N 3.1Å
54T95.1Very high92Very high77 Ų7759.8 Ų59.847%0.47232%0.318SS..Hα-helixtrans-58.3-37.7-17958.80000112.3A51 Y52 V57 F58A51-T54 WeakPolarHBondContact O-CB 3.18Å; A51-T54 VanDerWaalsContact O-CG2 3.26Å; A51-T54 WeakPolarHBondContact O-CG2 3.41Å; A51-T54 PolarHBondContact O-N 3.39Å; A51-T54 PolarHBondContact O-OG1 3.48Å; Y52-T54 PolarHBondContact O-N 2.93Å; T54-V57 PolarHBondContact O-N 2.62Å; T54-F58 WeakPolarHBondContact O-CD2 3.17Å; T54-F58 PolarHBondContact O-N 3.42Å
55A95.6Very high92.8Very high4 Ų453.4 Ų53.43%0.03329%0.289CS..Hα-helixtrans-58.4-53.7174.200000110.8H53 V57 F58 S59 S102 I109 I128 N132H53-A55 VanDerWaalsContact C-N 3.26Å; H53-A55 PolarHBondContact O-N 3.49Å; A55-V57 PolarHBondContact O-N 3.02Å; A55-V57 VanDerWaalsContact O-N 3.15Å; A55-F58 PolarHBondContact O-N 3.2Å; A55-F58 VanDerWaalsContact O-N 3.12Å; A55-S59 PolarHBondContact O-N 3.37Å; A55-S102 WeakPolarHBondContact CA-OG 3.27Å; A55-S102 PolarHBondContact O-OG 3.39Å; A55-I109 HydrophobicContact CB-CD1 4.13Å; A55-I128 HydrophobicContact CB-CG2 4.5Å; A55-N132 PolarHBondContact O-OD1 3.27Å
56G97Very high93.7Very high0 Ų047.8 Ų47.80%026%0.259CS..Hα-helixtrans-54.3-38.617700000114H53 T60H53-G56 PolarHBondContact O-N 2.87Å; H53-G56 VanDerWaalsContact O-N 3.11Å; G56-T60 PolarHBondContact O-N 2.93Å; G56-T60 PolarHBondContact O-OG1 2.91Å
57V96.7Very high94.4Very high66 Ų6643.7 Ų43.740%0.424%0.237SC..Hα-helixtrans-65.5-49.4176.2176.20000111.6W32 H53 T54 A55 S59 T60 I61W32-V57 HydrophobicContact CH2-CG2 4.31Å; H53-V57 WeakPolarHBondContact O-CG2 3.44Å; H53-V57 PolarHBondContact O-N 3.46Å; H53-V57 VanDerWaalsContact O-N 3.1Å; T54-V57 PolarHBondContact O-N 2.62Å; A55-V57 PolarHBondContact O-N 3.02Å; A55-V57 VanDerWaalsContact O-N 3.15Å; V57-S59 VanDerWaalsContact C-N 3.32Å; V57-S59 PolarHBondContact O-N 3.3Å; V57-T60 WeakPolarHBondContact O-CB 3.31Å; V57-T60 PolarHBondContact O-N 3.21Å; V57-T60 VanDerWaalsContact O-N 3.09Å; V57-I61 HydrophobicContact CG1-CD1 4.02Å; V57-I61 WeakPolarHBondContact O-CG1 3.41Å; V57-I61 PolarHBondContact O-N 3.01Å
58F97.4Very high94.7Very high105 Ų10547.4 Ų47.446%0.46126%0.263SS..Hα-helixtrans-62.5-38.2177.6-81.4-69.9000112.2T54 A55 T60 I61 A62 M98T54-F58 WeakPolarHBondContact O-CD2 3.17Å; T54-F58 PolarHBondContact O-N 3.42Å; A55-F58 PolarHBondContact O-N 3.2Å; A55-F58 VanDerWaalsContact O-N 3.12Å; F58-T60 VanDerWaalsContact C-N 3.29Å; F58-T60 PolarHBondContact O-N 2.9Å; F58-I61 PolarHBondContact O-N 3.39Å; F58-A62 WeakPolarHBondContact O-CB 3.35Å; F58-A62 PolarHBondContact O-N 3.16Å; F58-M98 HydrophobicContact CB-CG 4.09Å; F58-M98 HydrophobicContact CB-SD 4.42Å; F58-M98 HydrophobicContact CD1-CE 3.96Å; F58-M98 HydrophobicContact CD1-CG 4.12Å; F58-M98 HydrophobicContact CD1-SD 3.82Å; F58-M98 HydrophobicContact CE1-CE 4.35Å
59S97.5Very high94.8Very high2 Ų247.6 Ų47.61%0.01427%0.265CS..Hα-helixtrans-61.7-38172.9-169.70000112.2A55 V57 A62 F63 N132 I135A55-S59 PolarHBondContact O-N 3.37Å; V57-S59 VanDerWaalsContact C-N 3.32Å; V57-S59 PolarHBondContact O-N 3.3Å; S59-A62 PolarHBondContact O-N 2.68Å; S59-F63 WeakPolarHBondContact O-CB 3.28Å; S59-F63 PolarHBondContact O-N 2.97Å; S59-N132 VanDerWaalsContact CB-OD1 3.31Å; S59-N132 WeakPolarHBondContact CB-OD1 3.45Å; S59-I135 WeakPolarHBondContact O-CG2 2.86Å; S59-I135 VanDerWaalsContact OG-CG2 3.28Å; S59-I135 WeakPolarHBondContact OG-CG2 3.31Å
60T98Very high94.7Very high19 Ų1949 Ų4912%0.11727%0.274CS..Hα-helixtrans-68.9-42.1175.8-60.80000112.4F28 W32 G56 V57 F58 A62 F63 I64F28-T60 HydrophobicContact CE2-CG2 3.91Å; F28-T60 HydrophobicContact CZ-CG2 3.92Å; W32-T60 HydrophobicContact CZ2-CG2 4.2Å; W32-T60 WeakPolarHBondContact CZ2-OG1 3.47Å; W32-T60 PolarHBondContact NE1-OG1 3.43Å; G56-T60 PolarHBondContact O-N 2.93Å; G56-T60 PolarHBondContact O-OG1 2.91Å; V57-T60 WeakPolarHBondContact O-CB 3.31Å; V57-T60 PolarHBondContact O-N 3.21Å; V57-T60 VanDerWaalsContact O-N 3.09Å; F58-T60 VanDerWaalsContact C-N 3.29Å; F58-T60 PolarHBondContact O-N 2.9Å; T60-A62 VanDerWaalsContact C-N 3.31Å; T60-A62 PolarHBondContact O-N 3.08Å; T60-F63 WeakPolarHBondContact O-CB 3.26Å; T60-F63 PolarHBondContact O-N 3.39Å; T60-I64 HydrophobicContact CG2-CD1 4.34Å; T60-I64 WeakPolarHBondContact O-CG1 3.47Å; T60-I64 PolarHBondContact O-N 2.87Å
61I97.7Very high94.5Very high70 Ų7043.9 Ų43.936%0.35925%0.247SC..Hα-helixtrans-60.5-45.6174.3-66.1167.9000109.7V57 F58 F63 I64 L65 M98V57-I61 HydrophobicContact CG1-CD1 4.02Å; V57-I61 WeakPolarHBondContact O-CG1 3.41Å; V57-I61 PolarHBondContact O-N 3.01Å; F58-I61 PolarHBondContact O-N 3.39Å; I61-F63 VanDerWaalsContact C-N 3.35Å; I61-F63 PolarHBondContact O-N 3Å; I61-I64 PolarHBondContact O-N 3.43Å; I61-L65 HydrophobicContact CG2-CD1 3.91Å; I61-L65 HydrophobicContact CG2-CG 4.34Å; I61-L65 WeakPolarHBondContact O-CG 3.46Å; I61-L65 PolarHBondContact O-N 2.97Å; I61-M98 HydrophobicContact CB-SD 4.01Å; I61-M98 HydrophobicContact CG2-SD 3.8Å
62A97.5Very high94Very high0 Ų041.1 Ų41.10%022%0.224CC..Hα-helixtrans-59.5-43.9175.500000112.2F58 S59 T60 I64 L65 I66 A95 M98 A99F58-A62 WeakPolarHBondContact O-CB 3.35Å; F58-A62 PolarHBondContact O-N 3.16Å; S59-A62 PolarHBondContact O-N 2.68Å; T60-A62 VanDerWaalsContact C-N 3.31Å; T60-A62 PolarHBondContact O-N 3.08Å; A62-I64 PolarHBondContact O-N 3.09Å; A62-L65 PolarHBondContact O-N 2.86Å; A62-I66 WeakPolarHBondContact O-CB 3.31Å; A62-I66 VanDerWaalsContact O-CG1 3.25Å; A62-I66 WeakPolarHBondContact O-CG1 3.24Å; A62-I66 PolarHBondContact O-N 3.42Å; A62-A95 WeakPolarHBondContact CB-O 3.43Å; A62-M98 HydrophobicContact CB-CB 3.99Å; A62-M98 HydrophobicContact CB-CG 3.99Å; A62-M98 HydrophobicContact CB-SD 4.19Å; A62-A99 HydrophobicContact CB-CB 3.88Å
63F96.6Very high93.6Very high31 Ų3138.3 Ų38.314%0.13621%0.214CC..Hα-helixtrans-55.7-49174.4170.1-87.4000111.6F28 S59 T60 I61 N67 I135 S138F28-F63 HydrophobicContact CD2-CD1 4.09Å; F28-F63 HydrophobicContact CD2-CD2 4.31Å; F28-F63 HydrophobicContact CD2-CE1 4.17Å; F28-F63 HydrophobicContact CD2-CE2 4.41Å; F28-F63 HydrophobicContact CD2-CG 4.19Å; F28-F63 HydrophobicContact CD2-CZ 4.35Å; F28-F63 AromaticContact CE2-CD1 4Å; F28-F63 HydrophobicContact CE2-CD1 4Å; F28-F63 HydrophobicContact CE2-CE1 4.34Å; F28-F63 HydrophobicContact CE2-CG 4.31Å; S59-F63 WeakPolarHBondContact O-CB 3.28Å; S59-F63 PolarHBondContact O-N 2.97Å; T60-F63 WeakPolarHBondContact O-CB 3.26Å; T60-F63 PolarHBondContact O-N 3.39Å; I61-F63 VanDerWaalsContact C-N 3.35Å; I61-F63 PolarHBondContact O-N 3Å; F63-N67 WeakPolarHBondContact CE2-ND2 3.41Å; F63-N67 WeakPolarHBondContact O-CB 3.43Å; F63-N67 PolarHBondContact O-N 3.19Å; F63-N67 VanDerWaalsContact O-N 3.16Å; F63-N67 PolarHBondContact O-ND2 3.24Å; F63-I135 HydrophobicContact CB-CG2 3.78Å; F63-I135 HydrophobicContact CD2-CG2 4.47Å; F63-I135 HydrophobicContact CG-CG2 4.36Å; F63-S138 VanDerWaalsContact CE2-OG 3.31Å; F63-S138 WeakPolarHBondContact CE2-OG 3.49Å
64I96.5Very high92.9Very high94 Ų9440.2 Ų40.248%0.48223%0.225SC..Hα-helixtrans-62.7-47.2179.5-65.5171000110T60 I61 A62 N67 S68T60-I64 HydrophobicContact CG2-CD1 4.34Å; T60-I64 WeakPolarHBondContact O-CG1 3.47Å; T60-I64 PolarHBondContact O-N 2.87Å; I61-I64 PolarHBondContact O-N 3.43Å; A62-I64 PolarHBondContact O-N 3.09Å; I64-N67 PolarHBondContact O-N 3.36Å; I64-S68 WeakPolarHBondContact O-CB 3.2Å; I64-S68 PolarHBondContact O-N 3.46Å; I64-S68 PolarHBondContact O-OG 2.9Å
65L95.7Very high92.2Very high58 Ų5841.4 Ų41.430%0.30422%0.221SC..Hα-helixtrans-63.6-45-178-70.3175000112.7I61 A62 N67 S68 V69 A95I61-L65 HydrophobicContact CG2-CD1 3.91Å; I61-L65 HydrophobicContact CG2-CG 4.34Å; I61-L65 WeakPolarHBondContact O-CG 3.46Å; I61-L65 PolarHBondContact O-N 2.97Å; A62-L65 PolarHBondContact O-N 2.86Å; L65-N67 VanDerWaalsContact C-N 3.31Å; L65-N67 PolarHBondContact O-N 2.91Å; L65-S68 PolarHBondContact O-N 3.47Å; L65-V69 PolarHBondContact O-N 3.42Å; L65-A95 HydrophobicContact CB-CB 3.55Å; L65-A95 HydrophobicContact CD1-CB 4.29Å
66I95.4Very high91.3Very high2 Ų244.3 Ų44.31%0.0124%0.236CC..Hα-helixtrans-59-45.4178-70.2163.9000110.4A62 A95 F96 A99 S139 K143A62-I66 WeakPolarHBondContact O-CB 3.31Å; A62-I66 VanDerWaalsContact O-CG1 3.25Å; A62-I66 WeakPolarHBondContact O-CG1 3.24Å; A62-I66 PolarHBondContact O-N 3.42Å; I66-A95 HydrophobicContact CD1-CB 4.47Å; I66-A95 HydrophobicContact CG1-CB 3.64Å; I66-F96 HydrophobicContact CD1-CD1 3.74Å; I66-F96 HydrophobicContact CD1-CE1 3.8Å; I66-F96 HydrophobicContact CD1-CG 4.26Å; I66-F96 HydrophobicContact CD1-CZ 4.38Å; I66-F96 HydrophobicContact CG1-CD1 4.33Å; I66-F96 HydrophobicContact CG1-CE1 4.26Å; I66-F96 HydrophobicContact CG1-CG 4.48Å; I66-F96 HydrophobicContact CG1-CZ 4.35Å; I66-F96 HydrophobicContact CG2-CE1 4.28Å; I66-F96 HydrophobicContact CG2-CZ 3.95Å; I66-A99 HydrophobicContact CD1-CB 4.28Å; I66-S139 WeakPolarHBondContact CD1-OG 3.14Å; I66-S139 WeakPolarHBondContact CG2-OG 3.45Å; I66-K143 HydrophobicContact CG2-CB 4.04Å; I66-K143 HydrophobicContact CG2-CD 4.14Å; I66-K143 HydrophobicContact CG2-CG 3.99Å; I66-K143 PolarHBondContact O-NZ 3.26Å
67N92.7Very high90.1Very high28 Ų2848.9 Ų48.915%0.1526%0.257CS..Hα-helixtrans-84.9-15.6-174.3-66-62.1000114F63 I64 L65 S139 F142 K143F63-N67 WeakPolarHBondContact CE2-ND2 3.41Å; F63-N67 WeakPolarHBondContact O-CB 3.43Å; F63-N67 PolarHBondContact O-N 3.19Å; F63-N67 VanDerWaalsContact O-N 3.16Å; F63-N67 PolarHBondContact O-ND2 3.24Å; I64-N67 PolarHBondContact O-N 3.36Å; L65-N67 VanDerWaalsContact C-N 3.31Å; L65-N67 PolarHBondContact O-N 2.91Å; N67-S139 PolarHBondContact ND2-OG 2.98Å; N67-S139 PolarHBondContact OD1-O 3.21Å; N67-F142 HydrophobicContact CB-CD1 3.87Å; N67-F142 HydrophobicContact CB-CE1 4.25Å; N67-F142 VanDerWaalsContact OD1-CD1 3.26Å; N67-F142 WeakPolarHBondContact OD1-CD1 3.44Å; N67-K143 PolarHBondContact OD1-N 3.25Å
68S91.3Very high88.6Confident84 Ų8450 Ų5059%0.58726%0.257SS*.Hα-helixtrans-76.2-25.2173.5-63.70000112.7I64 L65I64-S68 WeakPolarHBondContact O-CB 3.2Å; I64-S68 PolarHBondContact O-N 3.46Å; I64-S68 PolarHBondContact O-OG 2.9Å; L65-S68 PolarHBondContact O-N 3.47Å
69V91.3Very high87.1Confident15 Ų1548.1 Ų48.19%0.09126%0.257CS..SBendtrans-79.9126.1178.1176.60000110L65 V73 A88 C91 L92 K143L65-V69 PolarHBondContact O-N 3.42Å; V69-V73 HydrophobicContact CG1-CB 4.31Å; V69-V73 HydrophobicContact CG1-CG1 4.41Å; V69-V73 HydrophobicContact CG1-CG2 4.35Å; V69-A88 HydrophobicContact CG1-CB 3.97Å; V69-C91 HydrophobicContact CG2-CB 4.44Å; V69-L92 HydrophobicContact CB-CD1 4.34Å; V69-L92 HydrophobicContact CB-CD2 3.92Å; V69-L92 HydrophobicContact CB-CG 3.99Å; V69-L92 HydrophobicContact CG1-CD1 3.75Å; V69-L92 HydrophobicContact CG1-CD2 4.26Å; V69-L92 HydrophobicContact CG1-CG 3.86Å; V69-L92 HydrophobicContact CG2-CD2 4.17Å; V69-L92 HydrophobicContact CG2-CG 4.07Å; V69-K143 PolarHBondContact O-NZ 2.56Å
70P86.4Confident85.9Confident69 Ų6955.9 Ų55.945%0.44830%0.298SS..  trans-66.6146-179.825.1-32.5000112.2G72 V73 F78P70-G72 VanDerWaalsContact C-N 3.28Å; P70-G72 PolarHBondContact O-N 2.97Å; P70-V73 HydrophobicContact CG-CG2 3.93Å; P70-V73 WeakPolarHBondContact O-CB 3.34Å; P70-V73 PolarHBondContact O-N 2.94Å; P70-F78 HydrophobicContact CG-CE2 4.38Å
71N84.7Confident84.5Confident24 Ų2458 Ų5813%0.12831%0.314CS..G310 helixtrans-65.3-29.5179.7-75.6-36.9000113V73 L74 K143 D148N71-V73 PolarHBondContact O-N 3.5Å; N71-L74 VanDerWaalsContact O-CB 3.32Å; N71-L74 WeakPolarHBondContact O-CB 3.41Å; N71-L74 PolarHBondContact O-N 3.42Å; N71-K143 PolarHBondContact ND2-O 3.34Å; N71-K143 WeakPolarHBondContact OD1-CD 3.45Å; N71-K143 WeakPolarHBondContact OD1-CE 3.43Å; N71-D148 VanDerWaalsContact CB-OD2 3.28Å; N71-D148 WeakPolarHBondContact CB-OD2 3.34Å
72G82.8Confident83.2Confident5 Ų563.5 Ų63.55%0.05233%0.33CS..G310 helixtrans-57.2-23.7176.100000114.5P70 L74 R75 D76 E77P70-G72 VanDerWaalsContact C-N 3.28Å; P70-G72 PolarHBondContact O-N 2.97Å; G72-L74 VanDerWaalsContact C-N 3.29Å; G72-L74 PolarHBondContact O-N 2.93Å; G72-R75 PolarHBondContact O-N 3.26Å; G72-D76 PolarHBondContact O-N 3.08Å; G72-E77 WeakPolarHBondContact CA-OE2 3.35Å; G72-E77 PolarHBondContact O-N 2.93Å; G72-E77 VanDerWaalsContact O-N 3.13Å
73V84.6Confident82.1Confident7 Ų770.6 Ų70.64%0.04237%0.366CS..G310 helixtrans-62.2-37.6172.1166.90000111.5V69 P70 N71 R75 F78 R85 A88 L89V69-V73 HydrophobicContact CG1-CB 4.31Å; V69-V73 HydrophobicContact CG1-CG1 4.41Å; V69-V73 HydrophobicContact CG1-CG2 4.35Å; P70-V73 HydrophobicContact CG-CG2 3.93Å; P70-V73 WeakPolarHBondContact O-CB 3.34Å; P70-V73 PolarHBondContact O-N 2.94Å; N71-V73 PolarHBondContact O-N 3.5Å; V73-R75 VanDerWaalsContact C-N 3.3Å; V73-F78 HydrophobicContact CB-CD2 4.48Å; V73-F78 HydrophobicContact CG2-CD2 3.77Å; V73-F78 HydrophobicContact CG2-CE2 3.88Å; V73-R85 HydrophobicContact CG1-CG 4.07Å; V73-A88 HydrophobicContact CB-CB 4.3Å; V73-A88 HydrophobicContact CG1-CB 3.58Å; V73-A88 HydrophobicContact CG2-CB 3.81Å; V73-L89 HydrophobicContact CG1-CD2 4.02Å; V73-L89 HydrophobicContact CG1-CG 4.09Å
74L80.9Confident81.3Confident85 Ų8571.1 Ų71.145%0.44538%0.38SS..THydrogen-bonded Turntrans-73-25.5179.2-62.1173.6000112.1N71 G72 L89 L92 F144N71-L74 VanDerWaalsContact O-CB 3.32Å; N71-L74 WeakPolarHBondContact O-CB 3.41Å; N71-L74 PolarHBondContact O-N 3.42Å; G72-L74 VanDerWaalsContact C-N 3.29Å; G72-L74 PolarHBondContact O-N 2.93Å; L74-L89 HydrophobicContact CD2-CD2 4.01Å; L74-L92 HydrophobicContact CD2-CD1 3.77Å; L74-L92 HydrophobicContact CG-CD1 4.33Å; L74-F144 HydrophobicContact CD1-CE1 4.21Å
75R79Confident80.8Confident102 Ų10270.3 Ų70.339%0.38537%0.371SS..THydrogen-bonded Turntrans-93.74.4-177.6-65175.761.8-155.91.1114.3G72 V73 E77 S150 D151G72-R75 PolarHBondContact O-N 3.26Å; V73-R75 VanDerWaalsContact C-N 3.3Å; R75-E77 HydrophobicContact CB-CG 4.14Å; R75-E77 IonicContact CZ-OE1 3.59Å; R75-E77 IonicContact NE-OE1 3.73Å; R75-E77 IonicContact NH1-OE1 2.65Å; R75-E77 PolarHBondContact NH1-OE1 3.04Å; R75-E77 IonicContact NH2-OE1 3.29Å; R75-E77 PolarHBondContact O-N 3.45Å; R75-S150 PolarHBondContact NH1-OG 3.19Å; R75-D151 IonicContact CZ-OD1 3.16Å; R75-D151 IonicContact CZ-OD2 2.56Å; R75-D151 IonicContact NE-OD1 3.98Å; R75-D151 IonicContact NH1-OD1 3.55Å; R75-D151 IonicContact NH2-OD1 3.82Å; R75-D151 PolarHBondContact NH2-OD1 2.74Å
76D77.4Confident80.3Confident64 Ų6475.9 Ų75.934%0.34239%0.388SS..THydrogen-bonded Turntrans60.924.4-175.5-147.12.6000114.8G72 F78 S79 R85G72-D76 PolarHBondContact O-N 3.08Å; D76-F78 PolarHBondContact O-N 3.39Å; D76-S79 WeakPolarHBondContact O-CB 3.33Å; D76-S79 PolarHBondContact O-N 2.89Å; D76-S79 WeakPolarHBondContact OD1-CA 3.37Å; D76-S79 WeakPolarHBondContact OD1-CB 3.3Å; D76-R85 WeakPolarHBondContact OD1-CD 3.5Å; D76-R85 IonicContact OD1-CZ 2.94Å; D76-R85 IonicContact OD1-NE 2.7Å; D76-R85 PolarHBondContact OD1-NE 3.25Å; D76-R85 IonicContact OD1-NH1 2.93Å; D76-R85 PolarHBondContact OD1-NH1 3.3Å; D76-R85 IonicContact OD1-NH2 3.39Å; D76-R85 PolarHBondContact OD1-NH2 3.5Å; D76-R85 IonicContact OD2-CZ 3.4Å; D76-R85 IonicContact OD2-NH1 2.94Å; D76-R85 PolarHBondContact OD2-NH1 3.21Å; D76-R85 IonicContact OD2-NH2 3.36Å; D76-R85 PolarHBondContact OD2-NH2 2.85Å
77E71.2Confident80Confident97 Ų9777.7 Ų77.745%0.45341%0.408SS..THydrogen-bonded Turntrans-63.1-24.2175.7-68.6175.4-168.900111.9G72 R75G72-E77 WeakPolarHBondContact CA-OE2 3.35Å; G72-E77 PolarHBondContact O-N 2.93Å; G72-E77 VanDerWaalsContact O-N 3.13Å; R75-E77 HydrophobicContact CB-CG 4.14Å; R75-E77 IonicContact CZ-OE1 3.59Å; R75-E77 IonicContact NE-OE1 3.73Å; R75-E77 IonicContact NH1-OE1 2.65Å; R75-E77 PolarHBondContact NH1-OE1 3.04Å; R75-E77 IonicContact NH2-OE1 3.29Å; R75-E77 PolarHBondContact O-N 3.45Å
78F65.8Low79.9Confident90 Ų9077.3 Ų77.340%0.39541%0.408SS..THydrogen-bonded Turntrans-9726.4179.1-58.7-80.5000113P70 V73 D76 D80 S81P70-F78 HydrophobicContact CG-CE2 4.38Å; V73-F78 HydrophobicContact CB-CD2 4.48Å; V73-F78 HydrophobicContact CG2-CD2 3.77Å; V73-F78 HydrophobicContact CG2-CE2 3.88Å; D76-F78 PolarHBondContact O-N 3.39Å; F78-D80 PolarHBondContact O-N 3.39Å; F78-D80 VanDerWaalsContact O-N 3.09Å; F78-S81 CarbonylContact O-C 3.43Å; F78-S81 PolarHBondContact O-N 3.23Å
79S66.5Low79.9Confident64 Ų6476.6 Ų76.645%0.44840%0.398SS..THydrogen-bonded Turntrans-52.7-32.6-175.658.70000114D76 S81D76-S79 WeakPolarHBondContact O-CB 3.33Å; D76-S79 PolarHBondContact O-N 2.89Å; D76-S79 WeakPolarHBondContact OD1-CA 3.37Å; D76-S79 WeakPolarHBondContact OD1-CB 3.3Å; S79-S81 VanDerWaalsContact C-N 3.34Å; S79-S81 PolarHBondContact O-N 2.88Å
80D71.1Confident80Confident165 Ų16580.6 Ų80.688%0.88242%0.417SS*.THydrogen-bonded Turntrans-65.3-33.1175.6-73.8-25.2000113.1F78 R82F78-D80 PolarHBondContact O-N 3.39Å; F78-D80 VanDerWaalsContact O-N 3.09Å; D80-R82 PolarHBondContact O-N 3.41Å
81S70.3Confident80.4Confident64 Ų6479.3 Ų79.345%0.44841%0.409SS..  trans-101.977.2176.7-171.80000111.3F78 S79 I83 G84 R85F78-S81 CarbonylContact O-C 3.43Å; F78-S81 PolarHBondContact O-N 3.23Å; S79-S81 VanDerWaalsContact C-N 3.34Å; S79-S81 PolarHBondContact O-N 2.88Å; S81-I83 PolarHBondContact O-N 3.48Å; S81-G84 PolarHBondContact O-N 3.08Å; S81-R85 PolarHBondContact O-N 3.27Å; S81-R85 VanDerWaalsContact O-N 3.14Å
82R69.8Low80.8Confident185 Ų18578.5 Ų78.570%0.69841%0.405SS*.Hα-helixtrans-57-35.1-179.7-58-175.9-150.1-150.74.4113.3D80 R86D80-R82 PolarHBondContact O-N 3.41Å; R82-R86 WeakPolarHBondContact O-CB 3.36Å; R82-R86 VanDerWaalsContact O-CG 3.28Å; R82-R86 WeakPolarHBondContact O-CG 3.48Å; R82-R86 PolarHBondContact O-N 3.25Å
83I74.7Confident81.4Confident149 Ų14984.6 Ų84.676%0.76443%0.431SS*.Hα-helixtrans-72.3-44.8-178-63.6172.2000110.3S81 R85 R86 G87S81-I83 PolarHBondContact O-N 3.48Å; I83-R85 PolarHBondContact O-N 3.33Å; I83-R86 PolarHBondContact O-N 2.86Å; I83-G87 PolarHBondContact O-N 2.96Å
84G79.9Confident81.9Confident42 Ų4290.6 Ų90.643%0.43346%0.456SS..Hα-helixtrans-61-45.4178.100000112S81 G87 A88S81-G84 PolarHBondContact O-N 3.08Å; G84-G87 PolarHBondContact O-N 2.86Å; G84-A88 WeakPolarHBondContact O-CB 3.45Å; G84-A88 PolarHBondContact O-N 2.79Å
85R85.3Confident82.7Confident78 Ų7886.6 Ų86.629%0.29444%0.435SS..Hα-helixtrans-61.8-48.1178-169.5175.874.4149.9-19.5112.2V73 D76 S81 I83 G87 A88 L89V73-R85 HydrophobicContact CG1-CG 4.07Å; D76-R85 WeakPolarHBondContact OD1-CD 3.5Å; D76-R85 IonicContact OD1-CZ 2.94Å; D76-R85 IonicContact OD1-NE 2.7Å; D76-R85 PolarHBondContact OD1-NE 3.25Å; D76-R85 IonicContact OD1-NH1 2.93Å; D76-R85 PolarHBondContact OD1-NH1 3.3Å; D76-R85 IonicContact OD1-NH2 3.39Å; D76-R85 PolarHBondContact OD1-NH2 3.5Å; D76-R85 IonicContact OD2-CZ 3.4Å; D76-R85 IonicContact OD2-NH1 2.94Å; D76-R85 PolarHBondContact OD2-NH1 3.21Å; D76-R85 IonicContact OD2-NH2 3.36Å; D76-R85 PolarHBondContact OD2-NH2 2.85Å; S81-R85 PolarHBondContact O-N 3.27Å; S81-R85 VanDerWaalsContact O-N 3.14Å; I83-R85 PolarHBondContact O-N 3.33Å; R85-G87 PolarHBondContact O-N 3.16Å; R85-A88 PolarHBondContact O-N 3.45Å; R85-L89 HydrophobicContact CG-CD1 4.21Å; R85-L89 HydrophobicContact CG-CG 4.47Å; R85-L89 WeakPolarHBondContact O-CG 3.18Å; R85-L89 PolarHBondContact O-N 3.04Å
86R85.8Confident83.5Confident174 Ų17484 Ų8466%0.65743%0.427SS*.Hα-helixtrans-59.6-45.3179.4-75.6176.1-179.5-176.60.1111.7R82 I83 A88 L89 I90R82-R86 WeakPolarHBondContact O-CB 3.36Å; R82-R86 VanDerWaalsContact O-CG 3.28Å; R82-R86 WeakPolarHBondContact O-CG 3.48Å; R82-R86 PolarHBondContact O-N 3.25Å; I83-R86 PolarHBondContact O-N 2.86Å; R86-A88 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 2.92Å; R86-L89 PolarHBondContact O-N 2.63Å; R86-I90 VanDerWaalsContact O-CG1 3.28Å; R86-I90 WeakPolarHBondContact O-CG1 3.23Å; R86-I90 PolarHBondContact O-N 3.41Å
87G88.5Confident84.4Confident41 Ų4183 Ų8342%0.42343%0.425SS..Hα-helixtrans-59.8-44.1177.100000112.5I83 G84 R85 I90 C91I83-G87 PolarHBondContact O-N 2.96Å; G84-G87 PolarHBondContact O-N 2.86Å; R85-G87 PolarHBondContact O-N 3.16Å; G87-I90 PolarHBondContact O-N 2.83Å; G87-C91 WeakPolarHBondContact O-CB 3.41Å; G87-C91 PolarHBondContact O-N 3.4Å
88A90.9Very high85.6Confident19 Ų1980.9 Ų80.916%0.15742%0.416CS..Hα-helixtrans-65.6-38.6177.900000113V69 V73 G84 R85 R86 C91 L92V69-A88 HydrophobicContact CG1-CB 3.97Å; V73-A88 HydrophobicContact CB-CB 4.3Å; V73-A88 HydrophobicContact CG1-CB 3.58Å; V73-A88 HydrophobicContact CG2-CB 3.81Å; G84-A88 WeakPolarHBondContact O-CB 3.45Å; G84-A88 PolarHBondContact O-N 2.79Å; R85-A88 PolarHBondContact O-N 3.45Å; R86-A88 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 2.92Å; A88-C91 WeakPolarHBondContact O-CB 3.44Å; A88-C91 PolarHBondContact O-N 3.37Å; A88-L92 WeakPolarHBondContact O-CG 3.43Å; A88-L92 PolarHBondContact O-N 2.88Å
89L91.7Very high87Confident70 Ų7076.8 Ų76.837%0.36640%0.399SS..Hα-helixtrans-67.2-39.7174.5-69.4175.9000112.4V73 L74 R85 R86 C91 L92 F93V73-L89 HydrophobicContact CG1-CD2 4.02Å; V73-L89 HydrophobicContact CG1-CG 4.09Å; L74-L89 HydrophobicContact CD2-CD2 4.01Å; R85-L89 HydrophobicContact CG-CD1 4.21Å; R85-L89 HydrophobicContact CG-CG 4.47Å; R85-L89 WeakPolarHBondContact O-CG 3.18Å; R85-L89 PolarHBondContact O-N 3.04Å; R86-L89 PolarHBondContact O-N 2.63Å; L89-C91 VanDerWaalsContact C-N 3.34Å; L89-L92 PolarHBondContact O-N 3.31Å; L89-F93 PolarHBondContact O-N 3.37Å
90I93.4Very high88.4Confident98 Ų9879.1 Ų79.150%0.50340%0.401SS..Hα-helixtrans-62.9-43.7174.2-69.2165.9000110.2R86 G87 L92 F93 F94R86-I90 VanDerWaalsContact O-CG1 3.28Å; R86-I90 WeakPolarHBondContact O-CG1 3.23Å; R86-I90 PolarHBondContact O-N 3.41Å; G87-I90 PolarHBondContact O-N 2.83Å; I90-L92 VanDerWaalsContact C-N 3.35Å; I90-L92 PolarHBondContact O-N 3.29Å; I90-F93 WeakPolarHBondContact O-CB 3.33Å; I90-F93 PolarHBondContact O-N 3.29Å; I90-F94 HydrophobicContact CG2-CD2 3.73Å; I90-F94 HydrophobicContact CG2-CE2 3.6Å; I90-F94 VanDerWaalsContact O-CD2 3.27Å; I90-F94 WeakPolarHBondContact O-CD2 3.26Å; I90-F94 PolarHBondContact O-N 2.88Å
91C93.9Very high89.6Confident42 Ų4274.8 Ų74.828%0.28438%0.383SS..Hα-helixtrans-58-46.9174.5-178.60000111.5V69 G87 A88 L89 F93 F94 A95V69-C91 HydrophobicContact CG2-CB 4.44Å; G87-C91 WeakPolarHBondContact O-CB 3.41Å; G87-C91 PolarHBondContact O-N 3.4Å; A88-C91 WeakPolarHBondContact O-CB 3.44Å; A88-C91 PolarHBondContact O-N 3.37Å; L89-C91 VanDerWaalsContact C-N 3.34Å; C91-F93 PolarHBondContact O-N 2.92Å; C91-F94 PolarHBondContact O-N 3.48Å; C91-A95 VanDerWaalsContact O-CB 3.29Å; C91-A95 WeakPolarHBondContact O-CB 3.5Å; C91-A95 PolarHBondContact O-N 2.94Å
92L93.4Very high90.9Very high8 Ų872 Ų724%0.04236%0.364CS..Hα-helixtrans-60.4-43.1175.7-78.8174.6000112.5V69 L74 A88 L89 I90 A95 F96V69-L92 HydrophobicContact CB-CD1 4.34Å; V69-L92 HydrophobicContact CB-CD2 3.92Å; V69-L92 HydrophobicContact CB-CG 3.99Å; V69-L92 HydrophobicContact CG1-CD1 3.75Å; V69-L92 HydrophobicContact CG1-CD2 4.26Å; V69-L92 HydrophobicContact CG1-CG 3.86Å; V69-L92 HydrophobicContact CG2-CD2 4.17Å; V69-L92 HydrophobicContact CG2-CG 4.07Å; L74-L92 HydrophobicContact CD2-CD1 3.77Å; L74-L92 HydrophobicContact CG-CD1 4.33Å; A88-L92 WeakPolarHBondContact O-CG 3.43Å; A88-L92 PolarHBondContact O-N 2.88Å; L89-L92 PolarHBondContact O-N 3.31Å; I90-L92 VanDerWaalsContact C-N 3.35Å; I90-L92 PolarHBondContact O-N 3.29Å; L92-A95 PolarHBondContact O-N 3.29Å; L92-F96 HydrophobicContact CB-CD2 4.42Å; L92-F96 HydrophobicContact CB-CE2 4.5Å; L92-F96 HydrophobicContact CD2-CE2 4.14Å; L92-F96 WeakPolarHBondContact O-CB 3.38Å; L92-F96 WeakPolarHBondContact O-CD2 3.2Å; L92-F96 PolarHBondContact O-N 3.43Å
93F95Very high92.2Very high133 Ų13364.1 Ų64.158%0.58334%0.337SS*.Hα-helixtrans-57.3-53.3177.4177.9-98.5000111.1L89 I90 C91 A95 F96 S97L89-F93 PolarHBondContact O-N 3.37Å; I90-F93 WeakPolarHBondContact O-CB 3.33Å; I90-F93 PolarHBondContact O-N 3.29Å; C91-F93 PolarHBondContact O-N 2.92Å; F93-A95 VanDerWaalsContact C-N 3.31Å; F93-A95 PolarHBondContact O-N 3.24Å; F93-F96 PolarHBondContact O-N 3.31Å; F93-S97 WeakPolarHBondContact O-CB 3.31Å; F93-S97 PolarHBondContact O-N 2.86Å; F93-S97 PolarHBondContact O-OG 3.45Å; F93-S97 VanDerWaalsContact O-OG 3.04Å
94F96.2Very high93.3Very high133 Ų13362.6 Ų62.658%0.58333%0.329SS*.Hα-helixtrans-62-38.1178-78.6-66.7000112.8I90 C91 S97 M98I90-F94 HydrophobicContact CG2-CD2 3.73Å; I90-F94 HydrophobicContact CG2-CE2 3.6Å; I90-F94 VanDerWaalsContact O-CD2 3.27Å; I90-F94 WeakPolarHBondContact O-CD2 3.26Å; I90-F94 PolarHBondContact O-N 2.88Å; C91-F94 PolarHBondContact O-N 3.48Å; F94-S97 PolarHBondContact O-N 2.68Å; F94-M98 VanDerWaalsContact O-CB 3.29Å; F94-M98 WeakPolarHBondContact O-CB 3.21Å; F94-M98 PolarHBondContact O-N 3.15Å
95A96.5Very high94.1Very high0 Ų062.6 Ų62.60%033%0.325CS..Hα-helixtrans-67.1-44178.900000111.9A62 L65 I66 C91 L92 F93 M98 A99A62-A95 WeakPolarHBondContact CB-O 3.43Å; L65-A95 HydrophobicContact CB-CB 3.55Å; L65-A95 HydrophobicContact CD1-CB 4.29Å; I66-A95 HydrophobicContact CD1-CB 4.47Å; I66-A95 HydrophobicContact CG1-CB 3.64Å; C91-A95 VanDerWaalsContact O-CB 3.29Å; C91-A95 WeakPolarHBondContact O-CB 3.5Å; C91-A95 PolarHBondContact O-N 2.94Å; L92-A95 PolarHBondContact O-N 3.29Å; F93-A95 VanDerWaalsContact C-N 3.31Å; F93-A95 PolarHBondContact O-N 3.24Å; A95-M98 PolarHBondContact O-N 2.99Å; A95-A99 PolarHBondContact O-N 2.82Å
96F95.4Very high94.7Very high49 Ų4958.9 Ų58.922%0.21531%0.311CS..Hα-helixtrans-64.6-42.6173.5-81.2-63.2000112.1I66 L92 F93 M98 A99 F100 F144I66-F96 HydrophobicContact CD1-CD1 3.74Å; I66-F96 HydrophobicContact CD1-CE1 3.8Å; I66-F96 HydrophobicContact CD1-CG 4.26Å; I66-F96 HydrophobicContact CD1-CZ 4.38Å; I66-F96 HydrophobicContact CG1-CD1 4.33Å; I66-F96 HydrophobicContact CG1-CE1 4.26Å; I66-F96 HydrophobicContact CG1-CG 4.48Å; I66-F96 HydrophobicContact CG1-CZ 4.35Å; I66-F96 HydrophobicContact CG2-CE1 4.28Å; I66-F96 HydrophobicContact CG2-CZ 3.95Å; L92-F96 HydrophobicContact CB-CD2 4.42Å; L92-F96 HydrophobicContact CB-CE2 4.5Å; L92-F96 HydrophobicContact CD2-CE2 4.14Å; L92-F96 WeakPolarHBondContact O-CB 3.38Å; L92-F96 WeakPolarHBondContact O-CD2 3.2Å; L92-F96 PolarHBondContact O-N 3.43Å; F93-F96 PolarHBondContact O-N 3.31Å; F96-M98 VanDerWaalsContact C-N 3.27Å; F96-M98 PolarHBondContact O-N 2.89Å; F96-A99 PolarHBondContact O-N 3.29Å; F96-F100 HydrophobicContact CB-CE2 4.38Å; F96-F100 WeakPolarHBondContact O-CD2 3.49Å; F96-F100 PolarHBondContact O-N 2.9Å; F96-F144 HydrophobicContact CE1-CE2 4.29Å; F96-F144 AromaticContact CZ-CE2 3.82Å; F96-F144 HydrophobicContact CZ-CE2 3.82Å; F96-F144 AromaticContact CZ-CZ 3.83Å; F96-F144 HydrophobicContact CZ-CZ 3.83Å
97S96.6Very high95.3Very high43 Ų4352.8 Ų52.830%0.30129%0.294SS..Hα-helixtrans-58.9-39.8174.1-63.40000111.8F93 F94 S101F93-S97 WeakPolarHBondContact O-CB 3.31Å; F93-S97 PolarHBondContact O-N 2.86Å; F93-S97 PolarHBondContact O-OG 3.45Å; F93-S97 VanDerWaalsContact O-OG 3.04Å; F94-S97 PolarHBondContact O-N 2.68Å; S97-S101 WeakPolarHBondContact O-CB 3.29Å; S97-S101 PolarHBondContact O-N 3.47Å; S97-S101 PolarHBondContact O-OG 2.96Å
98M96.7Very high95.7Very high52 Ų5260.1 Ų60.126%0.25631%0.309SS..Hα-helixtrans-66.7-43176.8-174.8179.8-73.100111.8F58 I61 A62 F94 A95 F96 S102F58-M98 HydrophobicContact CB-CG 4.09Å; F58-M98 HydrophobicContact CB-SD 4.42Å; F58-M98 HydrophobicContact CD1-CE 3.96Å; F58-M98 HydrophobicContact CD1-CG 4.12Å; F58-M98 HydrophobicContact CD1-SD 3.82Å; F58-M98 HydrophobicContact CE1-CE 4.35Å; I61-M98 HydrophobicContact CB-SD 4.01Å; I61-M98 HydrophobicContact CG2-SD 3.8Å; A62-M98 HydrophobicContact CB-CB 3.99Å; A62-M98 HydrophobicContact CB-CG 3.99Å; A62-M98 HydrophobicContact CB-SD 4.19Å; F94-M98 VanDerWaalsContact O-CB 3.29Å; F94-M98 WeakPolarHBondContact O-CB 3.21Å; F94-M98 PolarHBondContact O-N 3.15Å; A95-M98 PolarHBondContact O-N 2.99Å; F96-M98 VanDerWaalsContact C-N 3.27Å; F96-M98 PolarHBondContact O-N 2.89Å; M98-S102 WeakPolarHBondContact O-CB 3.35Å; M98-S102 PolarHBondContact O-N 3.28Å
99A96.3Very high96Very high4 Ų459.8 Ų59.83%0.03331%0.305CS..Hα-helixtrans-60.2-47.4176.500000112.3A62 I66 A95 F96 T103A62-A99 HydrophobicContact CB-CB 3.88Å; I66-A99 HydrophobicContact CD1-CB 4.28Å; A95-A99 PolarHBondContact O-N 2.82Å; F96-A99 PolarHBondContact O-N 3.29Å; A99-T103 PolarHBondContact O-N 3.47Å; A99-T103 VanDerWaalsContact O-N 3.08Å; A99-T103 PolarHBondContact O-OG1 2.69Å
100F95.2Very high96.2Very high112 Ų11257.2 Ų57.249%0.49129%0.291SS..Hα-helixtrans-69.2-44.1178.8-65.8-50.3000112.4F96 S102 T103 I104F96-F100 HydrophobicContact CB-CE2 4.38Å; F96-F100 WeakPolarHBondContact O-CD2 3.49Å; F96-F100 PolarHBondContact O-N 2.9Å; F100-S102 VanDerWaalsContact C-N 3.27Å; F100-S102 PolarHBondContact O-N 3.45Å; F100-T103 PolarHBondContact O-N 3.45Å; F100-T103 VanDerWaalsContact O-N 3.16Å; F100-I104 VanDerWaalsContact O-CG1 3.31Å; F100-I104 WeakPolarHBondContact O-CG1 3.38Å; F100-I104 PolarHBondContact O-N 2.8Å
101S97.2Very high96.4Very high74 Ų7458.1 Ų58.152%0.51729%0.292SS..Hα-helixtrans-59.9-40.7177.6-59.20000111.3S97 I104 A105S97-S101 WeakPolarHBondContact O-CB 3.29Å; S97-S101 PolarHBondContact O-N 3.47Å; S97-S101 PolarHBondContact O-OG 2.96Å; S101-I104 PolarHBondContact O-N 2.89Å; S101-A105 WeakPolarHBondContact O-CB 3.29Å; S101-A105 PolarHBondContact O-N 3.34Å
102S97.6Very high96.4Very high6 Ų657.3 Ų57.34%0.04229%0.29CS..Hα-helixtrans-64.7-40.3176.4-164.90000112.8A55 M98 F100 A105 A106 N132A55-S102 WeakPolarHBondContact CA-OG 3.27Å; A55-S102 PolarHBondContact O-OG 3.39Å; M98-S102 WeakPolarHBondContact O-CB 3.35Å; M98-S102 PolarHBondContact O-N 3.28Å; F100-S102 VanDerWaalsContact C-N 3.27Å; F100-S102 PolarHBondContact O-N 3.45Å; S102-A105 PolarHBondContact O-N 2.91Å; S102-A106 WeakPolarHBondContact O-CB 3.36Å; S102-A106 PolarHBondContact O-N 3.04Å; S102-N132 PolarHBondContact OG-OD1 2.89Å
103T96.5Very high96.4Very high20 Ų2057.5 Ų57.512%0.12329%0.294CS..Hα-helixtrans-65.1-43.7176-54.90000111.2A99 F100 A106 C107 L133A99-T103 PolarHBondContact O-N 3.47Å; A99-T103 VanDerWaalsContact O-N 3.08Å; A99-T103 PolarHBondContact O-OG1 2.69Å; F100-T103 PolarHBondContact O-N 3.45Å; F100-T103 VanDerWaalsContact O-N 3.16Å; T103-A106 WeakPolarHBondContact O-CB 3.27Å; T103-A106 PolarHBondContact O-N 2.9Å; T103-C107 PolarHBondContact O-N 3.37Å; T103-C107 PolarHBondContact O-SG 2.94Å; T103-C107 VanDerWaalsContact O-SG 3.37Å; T103-L133 HydrophobicContact CG2-CD2 3.72Å; T103-L133 HydrophobicContact CG2-CG 4.49Å
104I97.6Very high96.3Very high117 Ų11751.1 Ų51.160%0.627%0.266SS*.Hα-helixtrans-63.9-42.1176.3-65.7164.5000110.7F100 S101 A106 C107 W108F100-I104 VanDerWaalsContact O-CG1 3.31Å; F100-I104 WeakPolarHBondContact O-CG1 3.38Å; F100-I104 PolarHBondContact O-N 2.8Å; S101-I104 PolarHBondContact O-N 2.89Å; I104-A106 VanDerWaalsContact C-N 3.3Å; I104-A106 PolarHBondContact O-N 3.25Å; I104-C107 WeakPolarHBondContact O-CB 3.4Å; I104-C107 PolarHBondContact O-N 3.46Å; I104-W108 PolarHBondContact O-N 3.31Å
105A97.6Very high96.3Very high42 Ų4247.9 Ų47.935%0.34726%0.257SS..Hα-helixtrans-61.5-38.9174.600000111.6S101 S102 W108 I109S101-A105 WeakPolarHBondContact O-CB 3.29Å; S101-A105 PolarHBondContact O-N 3.34Å; S102-A105 PolarHBondContact O-N 2.91Å; A105-W108 WeakPolarHBondContact O-CB 3.2Å; A105-W108 PolarHBondContact O-N 2.87Å; A105-I109 WeakPolarHBondContact O-CG1 3.47Å; A105-I109 PolarHBondContact O-N 3.47Å
106A97.6Very high96.2Very high0 Ų051.6 Ų51.60%029%0.287CS..Hα-helixtrans-66.6-35.4174.900000112.7S102 T103 I104 W108 I109 L110 I128 L129 N132S102-A106 WeakPolarHBondContact O-CB 3.36Å; S102-A106 PolarHBondContact O-N 3.04Å; T103-A106 WeakPolarHBondContact O-CB 3.27Å; T103-A106 PolarHBondContact O-N 2.9Å; I104-A106 VanDerWaalsContact C-N 3.3Å; I104-A106 PolarHBondContact O-N 3.25Å; A106-W108 VanDerWaalsContact C-N 3.34Å; A106-I109 PolarHBondContact O-N 3.4Å; A106-L110 PolarHBondContact O-N 2.92Å; A106-I128 HydrophobicContact CB-CG2 4.23Å; A106-L129 HydrophobicContact CB-CD1 4.11Å; A106-N132 HydrophobicContact CB-CB 3.79Å
107C97.6Very high96.1Very high46 Ų4653.6 Ų53.631%0.31130%0.304SS..Hα-helixtrans-60.5-44.5169.4-65.90000111.1T103 I104 L110 F111T103-C107 PolarHBondContact O-N 3.37Å; T103-C107 PolarHBondContact O-SG 2.94Å; T103-C107 VanDerWaalsContact O-SG 3.37Å; I104-C107 WeakPolarHBondContact O-CB 3.4Å; I104-C107 PolarHBondContact O-N 3.46Å; C107-L110 PolarHBondContact O-N 3.06Å; C107-F111 HydrophobicContact CB-CD2 4.47Å; C107-F111 VanDerWaalsContact O-CD2 3.25Å; C107-F111 WeakPolarHBondContact O-CD2 3.28Å; C107-F111 PolarHBondContact O-N 3.46Å
108W97.3Very high95.8Very high194 Ų19458.2 Ų58.274%0.73533%0.325SS*.Hα-helixtrans-62.7-41175.3177.1-94.4000112.3I104 A105 A106 L110 G112 G113I104-W108 PolarHBondContact O-N 3.31Å; A105-W108 WeakPolarHBondContact O-CB 3.2Å; A105-W108 PolarHBondContact O-N 2.87Å; A106-W108 VanDerWaalsContact C-N 3.34Å; W108-L110 VanDerWaalsContact C-N 3.35Å; W108-L110 PolarHBondContact O-N 2.99Å; W108-G112 VanDerWaalsContact O-CA 3.29Å; W108-G112 WeakPolarHBondContact O-CA 3.14Å; W108-G112 PolarHBondContact O-N 3.24Å; W108-G113 PolarHBondContact O-N 2.93Å
109I96Very high95.4Very high13 Ų1359.7 Ų59.77%0.06733%0.33CS..Hα-helixtrans-58.1-48.2175.8-71.2165.4000110.2Y52 A55 A105 A106 G113 Y114 I128Y52-I109 HydrophobicContact CD1-CD1 4.05Å; Y52-I109 HydrophobicContact CD1-CG1 3.91Å; Y52-I109 HydrophobicContact CD1-CG2 4.27Å; Y52-I109 HydrophobicContact CD2-CG2 3.63Å; Y52-I109 HydrophobicContact CE1-CG1 4.26Å; Y52-I109 HydrophobicContact CE2-CG2 4.01Å; Y52-I109 HydrophobicContact CG-CD1 4.16Å; Y52-I109 HydrophobicContact CG-CG1 4.18Å; Y52-I109 HydrophobicContact CG-CG2 3.78Å; A55-I109 HydrophobicContact CB-CD1 4.13Å; A105-I109 WeakPolarHBondContact O-CG1 3.47Å; A105-I109 PolarHBondContact O-N 3.47Å; A106-I109 PolarHBondContact O-N 3.4Å; I109-G113 WeakPolarHBondContact O-CA 3.26Å; I109-G113 PolarHBondContact O-N 3.4Å; I109-Y114 HydrophobicContact CG2-CE2 4.12Å; I109-Y114 WeakPolarHBondContact O-CD2 3.25Å; I109-I128 HydrophobicContact CD1-CG2 4.03Å; I109-I128 HydrophobicContact CG2-CB 4.49Å; I109-I128 HydrophobicContact CG2-CG2 4.35Å
110L96.9Very high94.9Very high15 Ų1565.4 Ų65.48%0.07937%0.365CS..Hα-helixtrans-63.5-57.7177.5173.961.6000111.8A106 C107 W108 Y114 V115 V122 V126 L129A106-L110 PolarHBondContact O-N 2.92Å; C107-L110 PolarHBondContact O-N 3.06Å; W108-L110 VanDerWaalsContact C-N 3.35Å; W108-L110 PolarHBondContact O-N 2.99Å; L110-Y114 WeakPolarHBondContact O-CB 3.41Å; L110-Y114 PolarHBondContact O-N 3.36Å; L110-Y114 VanDerWaalsContact O-N 3.13Å; L110-V115 HydrophobicContact CD1-CG2 4.04Å; L110-V115 HydrophobicContact CG-CG2 4.25Å; L110-V115 PolarHBondContact O-N 2.89Å; L110-V122 HydrophobicContact CD1-CG1 3.89Å; L110-V126 HydrophobicContact CD1-CG2 3.7Å; L110-L129 HydrophobicContact CD2-CB 4.48Å; L110-L129 HydrophobicContact CD2-CD2 3.45Å; L110-L129 VanDerWaalsContact CD2-CD2 3.45Å
111F96.8Very high94.7Very high118 Ų11862.7 Ų62.752%0.51836%0.358SS..Iπ-helixtrans-75.4-46-170.5-70.7-66.7000112.6C107 V115 A116C107-F111 HydrophobicContact CB-CD2 4.47Å; C107-F111 VanDerWaalsContact O-CD2 3.25Å; C107-F111 WeakPolarHBondContact O-CD2 3.28Å; C107-F111 PolarHBondContact O-N 3.46Å; F111-V115 HydrophobicContact CD1-CB 4.21Å; F111-V115 HydrophobicContact CD1-CG1 4.39Å; F111-V115 HydrophobicContact CD1-CG2 4.17Å; F111-V115 PolarHBondContact O-N 3.42Å; F111-A116 WeakPolarHBondContact O-CB 3.24Å; F111-A116 PolarHBondContact O-N 3.24Å
112G95.2Very high94.5Very high24 Ų2461.8 Ų61.825%0.24735%0.349CS..Iπ-helixtrans-78.1-37.7-18000000113.4W108W108-G112 VanDerWaalsContact O-CA 3.29Å; W108-G112 WeakPolarHBondContact O-CA 3.14Å; W108-G112 PolarHBondContact O-N 3.24Å
113G92.2Very high94.4Very high12 Ų1266.5 Ų66.512%0.12437%0.366CS..Iπ-helixtrans-86.1-25.9-175.400000115.2W108 I109 V117W108-G113 PolarHBondContact O-N 2.93Å; I109-G113 WeakPolarHBondContact O-CA 3.26Å; I109-G113 PolarHBondContact O-N 3.4Å; G113-V117 VanDerWaalsContact O-CG2 3.28Å; G113-V117 WeakPolarHBondContact O-CG2 3.18Å
114Y94Very high94.3Very high0 Ų065.6 Ų65.60%036%0.361CS..Iπ-helixtrans-123.9-52.3-176.6-64.2-93.9000113.6S47 Y52 I109 L110 D118 K119 P121 P124 G125S47-Y114 WeakPolarHBondContact O-CE1 3.43Å; S47-Y114 PolarHBondContact O-OH 3.46Å; Y52-Y114 HydrophobicContact CD2-CE2 4.05Å; Y52-Y114 AromaticContact CE2-CE2 3.78Å; Y52-Y114 HydrophobicContact CE2-CE2 3.78Å; I109-Y114 HydrophobicContact CG2-CE2 4.12Å; I109-Y114 WeakPolarHBondContact O-CD2 3.25Å; L110-Y114 WeakPolarHBondContact O-CB 3.41Å; L110-Y114 PolarHBondContact O-N 3.36Å; L110-Y114 VanDerWaalsContact O-N 3.13Å; Y114-D118 PolarHBondContact O-N 3.47Å; Y114-K119 HydrophobicContact CD1-CB 4.21Å; Y114-K119 HydrophobicContact CD1-CD 3.82Å; Y114-K119 HydrophobicContact CD1-CG 4.22Å; Y114-K119 HydrophobicContact CE1-CD 3.83Å; Y114-K119 PolarHBondContact O-N 2.89Å; Y114-P121 WeakPolarHBondContact CD1-O 3.49Å; Y114-P124 HydrophobicContact CE1-CB 3.93Å; Y114-P124 HydrophobicContact CE1-CG 3.91Å; Y114-G125 VanDerWaalsContact CD2-CA 3.43Å; Y114-G125 VanDerWaalsContact CE2-CA 3.48Å
115V95.2Very high94.2Very high64 Ų6460 Ų6039%0.38833%0.332SS..Iπ-helixtrans-74.3-48.6-171.6179.30000112.5L110 F111 V117 D118 V122L110-V115 HydrophobicContact CD1-CG2 4.04Å; L110-V115 HydrophobicContact CG-CG2 4.25Å; L110-V115 PolarHBondContact O-N 2.89Å; F111-V115 HydrophobicContact CD1-CB 4.21Å; F111-V115 HydrophobicContact CD1-CG1 4.39Å; F111-V115 HydrophobicContact CD1-CG2 4.17Å; F111-V115 PolarHBondContact O-N 3.42Å; V115-V117 PolarHBondContact O-N 2.88Å; V115-D118 PolarHBondContact O-N 2.74Å; V115-V122 HydrophobicContact CG2-CG1 4.06Å
116A94.9Very high94.1Very high78 Ų7860.1 Ų60.165%0.64533%0.328SS*.THydrogen-bonded Turntrans-70.6-17.3-174.600000113.9F111F111-A116 WeakPolarHBondContact O-CB 3.24Å; F111-A116 PolarHBondContact O-N 3.24Å
117V93.2Very high94.1Very high91 Ų9160.1 Ų60.155%0.55233%0.328SS*.THydrogen-bonded Turntrans-11110.8-179.5-65.10000112.3G113 V115 K119G113-V117 VanDerWaalsContact O-CG2 3.28Å; G113-V117 WeakPolarHBondContact O-CG2 3.18Å; V115-V117 PolarHBondContact O-N 2.88Å; V117-K119 HydrophobicContact CG2-CB 4.01Å; V117-K119 PolarHBondContact O-N 3.48Å; V117-K119 VanDerWaalsContact O-N 3.1Å
118D90.7Very high94.1Very high141 Ų14157.9 Ų57.975%0.75431%0.313SS*.THydrogen-bonded Turntrans4936.5-178.6-63.7-48.7000113.7Y114 V115 T120Y114-D118 PolarHBondContact O-N 3.47Å; V115-D118 PolarHBondContact O-N 2.74Å; D118-T120 PolarHBondContact O-N 3.38Å
119K87.8Confident94.1Very high82 Ų8249.8 Ų49.836%0.35728%0.284SS..PPolyproline II helixtrans-72.8121-178.4-167.9180177.6840109.3Y114 V117 P121 V122Y114-K119 HydrophobicContact CD1-CB 4.21Å; Y114-K119 HydrophobicContact CD1-CD 3.82Å; Y114-K119 HydrophobicContact CD1-CG 4.22Å; Y114-K119 HydrophobicContact CE1-CD 3.83Å; Y114-K119 PolarHBondContact O-N 2.89Å; V117-K119 HydrophobicContact CG2-CB 4.01Å; V117-K119 PolarHBondContact O-N 3.48Å; V117-K119 VanDerWaalsContact O-N 3.1Å; K119-P121 CarbonylContact O-C 3.59Å; K119-V122 VanDerWaalsContact O-CG2 3.3Å; K119-V122 WeakPolarHBondContact O-CG2 3.17Å
120T86.3Confident94.2Very high125 Ų12552.1 Ų52.177%0.76730%0.296SS*.SBendtrans-103.7133.4173.952.60000110.1D118D118-T120 PolarHBondContact O-N 3.38Å
121P90.2Very high94.2Very high54 Ų5451.4 Ų51.435%0.35129%0.293SS..PPolyproline II helixcis-81.8151.3-529.6-26.2000113.2F42 Y114 K119 P124F42-P121 HydrophobicContact CD1-CG 3.87Å; F42-P121 HydrophobicContact CE1-CB 4.28Å; F42-P121 HydrophobicContact CE1-CG 3.2Å; F42-P121 HydrophobicContact CZ-CB 4.48Å; F42-P121 HydrophobicContact CZ-CG 3.8Å; Y114-P121 WeakPolarHBondContact CD1-O 3.49Å; K119-P121 CarbonylContact O-C 3.59Å; P121-P124 WeakPolarHBondContact O-CD 3.49Å
122V93.4Very high94.3Very high55 Ų5545.8 Ų45.833%0.33327%0.268SS..  trans-81.6-18.6179.5-178.60000112.7L110 V115 K119 G125 V126L110-V122 HydrophobicContact CD1-CG1 3.89Å; V115-V122 HydrophobicContact CG2-CG1 4.06Å; K119-V122 VanDerWaalsContact O-CG2 3.3Å; K119-V122 WeakPolarHBondContact O-CG2 3.17Å; V122-G125 PolarHBondContact O-N 3.31Å; V122-G125 VanDerWaalsContact O-N 3.09Å; V122-V126 HydrophobicContact CG1-CG2 4.24Å; V122-V126 PolarHBondContact O-N 2.96Å
123W94.6Very high94.4Very high106 Ų10647.9 Ų47.940%0.40227%0.273SS..Hα-helixtrans-50.9-39.7-177.3-179.9-100.2000115.6F42 G125 V126 A127 L130F42-W123 HydrophobicContact CE2-CB 4.49Å; F42-W123 AromaticContact CE2-CD1 3.54Å; F42-W123 HydrophobicContact CE2-CG 4.39Å; W123-G125 VanDerWaalsContact C-N 3.28Å; W123-G125 PolarHBondContact O-N 3.32Å; W123-V126 HydrophobicContact CE3-CB 4.21Å; W123-V126 HydrophobicContact CE3-CG1 4.18Å; W123-V126 HydrophobicContact CZ3-CG1 4.05Å; W123-V126 CarbonylContact O-C 3.48Å; W123-V126 WeakPolarHBondContact O-CA 3.45Å; W123-V126 WeakPolarHBondContact O-CB 3.47Å; W123-V126 PolarHBondContact O-N 3.27Å; W123-A127 WeakPolarHBondContact O-CB 3.44Å; W123-A127 PolarHBondContact O-N 3.45Å; W123-L130 HydrophobicContact CH2-CD1 4.49Å
124P94.6Very high94.7Very high0 Ų048.6 Ų48.60%027%0.274CS..Hα-helixtrans-61.6-37.5179.8-13.424.8000112.2F42 L48 Y114 P121 A127 I128F42-P124 HydrophobicContact CB-CG 4.43Å; F42-P124 HydrophobicContact CD1-CG 4.15Å; F42-P124 HydrophobicContact CD2-CB 4.26Å; F42-P124 HydrophobicContact CD2-CG 3.66Å; F42-P124 HydrophobicContact CE1-CG 4.47Å; F42-P124 HydrophobicContact CE2-CG 4.03Å; F42-P124 HydrophobicContact CG-CG 3.74Å; F42-P124 HydrophobicContact CZ-CG 4.4Å; L48-P124 HydrophobicContact CB-CB 3.96Å; L48-P124 HydrophobicContact CD1-CB 3.59Å; L48-P124 HydrophobicContact CG-CB 4.2Å; Y114-P124 HydrophobicContact CE1-CB 3.93Å; Y114-P124 HydrophobicContact CE1-CG 3.91Å; P121-P124 WeakPolarHBondContact O-CD 3.49Å; P124-A127 PolarHBondContact O-N 2.96Å; P124-I128 WeakPolarHBondContact O-CG1 3.27Å; P124-I128 PolarHBondContact O-N 3.35Å
125G95.2Very high94.9Very high0 Ų048.6 Ų48.60%027%0.274CS..Hα-helixtrans-64.4-40.1172.400000112.7Y114 V122 W123 L129Y114-G125 VanDerWaalsContact CD2-CA 3.43Å; Y114-G125 VanDerWaalsContact CE2-CA 3.48Å; V122-G125 PolarHBondContact O-N 3.31Å; V122-G125 VanDerWaalsContact O-N 3.09Å; W123-G125 VanDerWaalsContact C-N 3.28Å; W123-G125 PolarHBondContact O-N 3.32Å; G125-L129 PolarHBondContact O-N 3.43Å; G125-L129 VanDerWaalsContact O-N 3.15Å
126V96.5Very high94.9Very high44 Ų4446.2 Ų46.227%0.26726%0.26SS..Hα-helixtrans-65.3-42.4177.4178.30000110.6L110 V122 W123 I128 L129 L130L110-V126 HydrophobicContact CD1-CG2 3.7Å; V122-V126 HydrophobicContact CG1-CG2 4.24Å; V122-V126 PolarHBondContact O-N 2.96Å; W123-V126 HydrophobicContact CE3-CB 4.21Å; W123-V126 HydrophobicContact CE3-CG1 4.18Å; W123-V126 HydrophobicContact CZ3-CG1 4.05Å; W123-V126 CarbonylContact O-C 3.48Å; W123-V126 WeakPolarHBondContact O-CA 3.45Å; W123-V126 WeakPolarHBondContact O-CB 3.47Å; W123-V126 PolarHBondContact O-N 3.27Å; V126-I128 PolarHBondContact O-N 3.06Å; V126-L129 PolarHBondContact O-N 3.26Å; V126-L130 HydrophobicContact CG1-CD1 3.88Å; V126-L130 HydrophobicContact CG1-CG 4.16Å; V126-L130 WeakPolarHBondContact O-CB 3.4Å; V126-L130 WeakPolarHBondContact O-CG 3.41Å; V126-L130 PolarHBondContact O-N 3.06Å
127A97Very high95Very high0 Ų046.8 Ų46.80%025%0.252CS..Hα-helixtrans-60.1-44.9178.900000112.1I34 A38 W123 P124 L130 Q131I34-A127 HydrophobicContact CG2-CB 3.67Å; A38-A127 HydrophobicContact CB-CB 3.49Å; A38-A127 VanDerWaalsContact CB-CB 3.49Å; W123-A127 WeakPolarHBondContact O-CB 3.44Å; W123-A127 PolarHBondContact O-N 3.45Å; P124-A127 PolarHBondContact O-N 2.96Å; A127-L130 PolarHBondContact O-N 3.42Å; A127-Q131 WeakPolarHBondContact O-CB 3.5Å; A127-Q131 PolarHBondContact O-N 2.92Å
128I97.1Very high95.2Very high0 Ų042.5 Ų42.50%023%0.225CC..Hα-helixtrans-65.6-39.8176.9-63.9-61.4000111.7L48 A55 A106 I109 P124 V126 N132L48-I128 HydrophobicContact CD1-CD1 4.2Å; L48-I128 HydrophobicContact CD1-CG1 4.04Å; A55-I128 HydrophobicContact CB-CG2 4.5Å; A106-I128 HydrophobicContact CB-CG2 4.23Å; I109-I128 HydrophobicContact CD1-CG2 4.03Å; I109-I128 HydrophobicContact CG2-CB 4.49Å; I109-I128 HydrophobicContact CG2-CG2 4.35Å; P124-I128 WeakPolarHBondContact O-CG1 3.27Å; P124-I128 PolarHBondContact O-N 3.35Å; V126-I128 PolarHBondContact O-N 3.06Å; I128-N132 PolarHBondContact O-N 3.15Å; I128-N132 VanDerWaalsContact O-N 3.13Å; I128-N132 PolarHBondContact O-ND2 2.97Å
129L97.9Very high95.4Very high24 Ų2435.9 Ų35.913%0.12619%0.19CC..Hα-helixtrans-63.8-47.6174.4178.661000111.6A106 L110 G125 V126 Q131 N132 L133A106-L129 HydrophobicContact CB-CD1 4.11Å; L110-L129 HydrophobicContact CD2-CB 4.48Å; L110-L129 HydrophobicContact CD2-CD2 3.45Å; L110-L129 VanDerWaalsContact CD2-CD2 3.45Å; G125-L129 PolarHBondContact O-N 3.43Å; G125-L129 VanDerWaalsContact O-N 3.15Å; V126-L129 PolarHBondContact O-N 3.26Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; L129-Q131 PolarHBondContact O-N 3.37Å; L129-N132 PolarHBondContact O-N 3.46Å; L129-L133 HydrophobicContact CD1-CD1 4.01Å; L129-L133 HydrophobicContact CD1-CG 4.07Å; L129-L133 HydrophobicContact CD2-CD1 4.47Å; L129-L133 HydrophobicContact CG-CD1 3.89Å; L129-L133 HydrophobicContact CG-CG 4.37Å; L129-L133 WeakPolarHBondContact O-CG 3.28Å; L129-L133 PolarHBondContact O-N 2.65Å
130L97.9Very high95.6Very high61 Ų6135.5 Ų35.532%0.31919%0.191SC..Hα-helixtrans-60.8-42.6177.9-74.7177.8000111.6I34 W123 V126 A127 N132 L133 L134I34-L130 HydrophobicContact CD1-CB 4.46Å; I34-L130 HydrophobicContact CG2-CB 4.46Å; W123-L130 HydrophobicContact CH2-CD1 4.49Å; V126-L130 HydrophobicContact CG1-CD1 3.88Å; V126-L130 HydrophobicContact CG1-CG 4.16Å; V126-L130 WeakPolarHBondContact O-CB 3.4Å; V126-L130 WeakPolarHBondContact O-CG 3.41Å; V126-L130 PolarHBondContact O-N 3.06Å; A127-L130 PolarHBondContact O-N 3.42Å; L130-N132 VanDerWaalsContact C-N 3.34Å; L130-N132 PolarHBondContact O-N 3.48Å; L130-L133 PolarHBondContact O-N 3.41Å; L130-L134 VanDerWaalsContact O-CB 3.27Å; L130-L134 WeakPolarHBondContact O-CB 3.45Å; L130-L134 WeakPolarHBondContact O-CG 3.4Å; L130-L134 PolarHBondContact O-N 3.23Å
131Q98.1Very high96Very high1 Ų131.8 Ų31.81%0.00517%0.167CC..Hα-helixtrans-54.5-50.8173.7176.9-177.139.100111.1G31 A35 A127 L129 L134 I135G31-Q131 WeakPolarHBondContact O-CB 3.36Å; G31-Q131 WeakPolarHBondContact O-CG 3.3Å; A35-Q131 HydrophobicContact CB-CB 4.24Å; A35-Q131 HydrophobicContact CB-CG 4.11Å; A35-Q131 VanDerWaalsContact CB-NE2 3.27Å; A127-Q131 WeakPolarHBondContact O-CB 3.5Å; A127-Q131 PolarHBondContact O-N 2.92Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; L129-Q131 PolarHBondContact O-N 3.37Å; Q131-L134 PolarHBondContact O-N 3.43Å; Q131-I135 HydrophobicContact CG-CD1 3.74Å; Q131-I135 WeakPolarHBondContact O-CB 3.28Å; Q131-I135 VanDerWaalsContact O-CG1 3.26Å; Q131-I135 WeakPolarHBondContact O-CG1 3.34Å; Q131-I135 PolarHBondContact O-N 3.34Å
132N98Very high96.2Very high0 Ų031.8 Ų31.80%016%0.161CC..Hα-helixtrans-66.2-41.5-176.9-82.7-90.3000112.3A55 S59 S102 A106 I128 L129 L130 C136A55-N132 PolarHBondContact O-OD1 3.27Å; S59-N132 VanDerWaalsContact CB-OD1 3.31Å; S59-N132 WeakPolarHBondContact CB-OD1 3.45Å; S102-N132 PolarHBondContact OG-OD1 2.89Å; A106-N132 HydrophobicContact CB-CB 3.79Å; I128-N132 PolarHBondContact O-N 3.15Å; I128-N132 VanDerWaalsContact O-N 3.13Å; I128-N132 PolarHBondContact O-ND2 2.97Å; L129-N132 PolarHBondContact O-N 3.46Å; L130-N132 VanDerWaalsContact C-N 3.34Å; L130-N132 PolarHBondContact O-N 3.48Å; N132-C136 VanDerWaalsContact O-CB 3.24Å; N132-C136 WeakPolarHBondContact O-CB 3.36Å; N132-C136 PolarHBondContact O-N 3.34Å
133L97.6Very high96Very high68 Ų6829.3 Ų29.336%0.35615%0.146SC..Hα-helixtrans-64.3-46.3176.3-72.7174000111.9T103 L129 L130 I135 C136 I137T103-L133 HydrophobicContact CG2-CD2 3.72Å; T103-L133 HydrophobicContact CG2-CG 4.49Å; L129-L133 HydrophobicContact CD1-CD1 4.01Å; L129-L133 HydrophobicContact CD1-CG 4.07Å; L129-L133 HydrophobicContact CD2-CD1 4.47Å; L129-L133 HydrophobicContact CG-CD1 3.89Å; L129-L133 HydrophobicContact CG-CG 4.37Å; L129-L133 WeakPolarHBondContact O-CG 3.28Å; L129-L133 PolarHBondContact O-N 2.65Å; L130-L133 PolarHBondContact O-N 3.41Å; L133-I135 PolarHBondContact O-N 3.27Å; L133-C136 PolarHBondContact O-N 3.23Å; L133-I137 WeakPolarHBondContact O-CB 3.38Å; L133-I137 VanDerWaalsContact O-CG1 3.23Å; L133-I137 WeakPolarHBondContact O-CG1 3.28Å; L133-I137 PolarHBondContact O-N 2.7Å
134L98Very high95.8Very high26 Ų2629.6 Ų29.614%0.13615%0.15CC..Hα-helixtrans-63.8-42.1-180-71.7170.5000112L27 L30 I34 L130 Q131 I137 S138L27-L134 HydrophobicContact CD2-CD2 3.73Å; L30-L134 HydrophobicContact CB-CD1 4.45Å; L30-L134 HydrophobicContact CD2-CD1 4.19Å; L30-L134 HydrophobicContact CG-CD1 4.06Å; I34-L134 HydrophobicContact CD1-CD1 3.74Å; L130-L134 VanDerWaalsContact O-CB 3.27Å; L130-L134 WeakPolarHBondContact O-CB 3.45Å; L130-L134 WeakPolarHBondContact O-CG 3.4Å; L130-L134 PolarHBondContact O-N 3.23Å; Q131-L134 PolarHBondContact O-N 3.43Å; L134-I137 PolarHBondContact O-N 2.87Å; L134-S138 WeakPolarHBondContact O-CB 3.48Å; L134-S138 PolarHBondContact O-N 3.07Å
135I98.1Very high95.4Very high0 Ų030.6 Ų30.60%016%0.161CC..Hα-helixtrans-67.9-39176.8-66.3171.8000111F28 S59 F63 Q131 L133 S138 S139F28-I135 HydrophobicContact CD2-CG1 4.08Å; F28-I135 HydrophobicContact CD2-CG2 4.33Å; F28-I135 HydrophobicContact CE2-CD1 4.5Å; F28-I135 HydrophobicContact CE2-CG1 4.44Å; S59-I135 WeakPolarHBondContact O-CG2 2.86Å; S59-I135 VanDerWaalsContact OG-CG2 3.28Å; S59-I135 WeakPolarHBondContact OG-CG2 3.31Å; F63-I135 HydrophobicContact CB-CG2 3.78Å; F63-I135 HydrophobicContact CD2-CG2 4.47Å; F63-I135 HydrophobicContact CG-CG2 4.36Å; Q131-I135 HydrophobicContact CG-CD1 3.74Å; Q131-I135 WeakPolarHBondContact O-CB 3.28Å; Q131-I135 VanDerWaalsContact O-CG1 3.26Å; Q131-I135 WeakPolarHBondContact O-CG1 3.34Å; Q131-I135 PolarHBondContact O-N 3.34Å; L133-I135 PolarHBondContact O-N 3.27Å; I135-S138 PolarHBondContact O-N 3.14Å; I135-S139 WeakPolarHBondContact O-CB 3.42Å; I135-S139 PolarHBondContact O-N 3.19Å
136C96Very high95Very high15 Ų1534.4 Ų34.410%0.10118%0.175CC..Hα-helixtrans-62.1-49175.3-174.30000111.5N132 L133 S138 S139 I140N132-C136 VanDerWaalsContact O-CB 3.24Å; N132-C136 WeakPolarHBondContact O-CB 3.36Å; N132-C136 PolarHBondContact O-N 3.34Å; L133-C136 PolarHBondContact O-N 3.23Å; C136-S138 PolarHBondContact O-N 3.2Å; C136-S139 WeakPolarHBondContact O-CB 3.33Å; C136-S139 PolarHBondContact O-N 3.5Å; C136-I140 WeakPolarHBondContact O-CG1 3.32Å; C136-I140 PolarHBondContact O-N 3.13Å; C136-I140 VanDerWaalsContact O-N 3.08Å
137I96.3Very high94.1Very high90 Ų9037.6 Ų37.646%0.46219%0.186SC..Hα-helixtrans-62.2-44.3176.5-65.9165.1000110.5L27 L133 L134 S139 I140 L141L27-I137 HydrophobicContact CD1-CG2 3.94Å; L133-I137 WeakPolarHBondContact O-CB 3.38Å; L133-I137 VanDerWaalsContact O-CG1 3.23Å; L133-I137 WeakPolarHBondContact O-CG1 3.28Å; L133-I137 PolarHBondContact O-N 2.7Å; L134-I137 PolarHBondContact O-N 2.87Å; I137-S139 VanDerWaalsContact C-N 3.3Å; I137-S139 PolarHBondContact O-N 3.42Å; I137-I140 PolarHBondContact O-N 3.2Å; I137-L141 WeakPolarHBondContact O-CB 3.39Å; I137-L141 PolarHBondContact O-N 3.29Å
138S97.1Very high92.8Very high0 Ų040.3 Ų40.30%020%0.2CC..Hα-helixtrans-57.1-43.5175.8176.20000111.7A24 F63 L134 I135 C136 L141 F142A24-S138 WeakPolarHBondContact O-CB 3.28Å; A24-S138 PolarHBondContact O-OG 3.09Å; F63-S138 VanDerWaalsContact CE2-OG 3.31Å; F63-S138 WeakPolarHBondContact CE2-OG 3.49Å; L134-S138 WeakPolarHBondContact O-CB 3.48Å; L134-S138 PolarHBondContact O-N 3.07Å; I135-S138 PolarHBondContact O-N 3.14Å; C136-S138 PolarHBondContact O-N 3.2Å; S138-L141 PolarHBondContact O-N 2.89Å; S138-F142 WeakPolarHBondContact O-CB 3.38Å; S138-F142 PolarHBondContact O-N 3.45Å
139S95.2Very high91.3Very high2 Ų244.5 Ų44.51%0.01422%0.222CC..Hα-helixtrans-61.8-49.4178.5-167.90000112I66 N67 I135 C136 I137 L141 F142 K143I66-S139 WeakPolarHBondContact CD1-OG 3.14Å; I66-S139 WeakPolarHBondContact CG2-OG 3.45Å; N67-S139 PolarHBondContact ND2-OG 2.98Å; N67-S139 PolarHBondContact OD1-O 3.21Å; I135-S139 WeakPolarHBondContact O-CB 3.42Å; I135-S139 PolarHBondContact O-N 3.19Å; C136-S139 WeakPolarHBondContact O-CB 3.33Å; C136-S139 PolarHBondContact O-N 3.5Å; I137-S139 VanDerWaalsContact C-N 3.3Å; I137-S139 PolarHBondContact O-N 3.42Å; S139-L141 VanDerWaalsContact C-N 3.33Å; S139-L141 PolarHBondContact O-N 3.46Å; S139-F142 PolarHBondContact O-N 3.5Å; S139-K143 VanDerWaalsContact O-CB 3.24Å; S139-K143 WeakPolarHBondContact O-CB 3.29Å; S139-K143 PolarHBondContact O-N 3.37Å
140I93.7Very high89.4Confident74 Ų7446.8 Ų46.838%0.37924%0.24SC..Hα-helixtrans-62.9-43.5179.1-65.7169.8000110C136 I137 K143 F144C136-I140 WeakPolarHBondContact O-CG1 3.32Å; C136-I140 PolarHBondContact O-N 3.13Å; C136-I140 VanDerWaalsContact O-N 3.08Å; I137-I140 PolarHBondContact O-N 3.2Å; I140-K143 PolarHBondContact O-N 3.09Å; I140-F144 HydrophobicContact CG2-CD2 3.96Å; I140-F144 WeakPolarHBondContact O-CB 2.99Å; I140-F144 PolarHBondContact O-N 3.3Å
141L94.3Very high87.2Confident48 Ų4848.2 Ų48.225%0.25125%0.248SC..Hα-helixtrans-65.5-44.5-179.5-173.663000111.9V20 I23 A24 L27 I137 S138 S139 G145V20-L141 HydrophobicContact CG1-CD1 3.89Å; V20-L141 HydrophobicContact CG1-CG 3.89Å; V20-L141 VanDerWaalsContact CG1-O 3.28Å; V20-L141 WeakPolarHBondContact CG1-O 3.37Å; I23-L141 HydrophobicContact CB-CD2 4Å; I23-L141 HydrophobicContact CG2-CD2 3.52Å; A24-L141 HydrophobicContact CB-CB 4.25Å; A24-L141 HydrophobicContact CB-CD2 4.12Å; A24-L141 HydrophobicContact CB-CG 4.19Å; L27-L141 HydrophobicContact CD1-CD2 4.02Å; I137-L141 WeakPolarHBondContact O-CB 3.39Å; I137-L141 PolarHBondContact O-N 3.29Å; S138-L141 PolarHBondContact O-N 2.89Å; S139-L141 VanDerWaalsContact C-N 3.33Å; S139-L141 PolarHBondContact O-N 3.46Å; L141-G145 VanDerWaalsContact O-CA 3.26Å; L141-G145 WeakPolarHBondContact O-CA 3.17Å; L141-G145 PolarHBondContact O-N 2.99Å
142F92.9Very high84.6Confident53 Ų5356.3 Ų56.323%0.23228%0.283CS..Hα-helixtrans-68.4-37.4178.6-164.8-93.3000112.3A24 N67 S138 S139 R146A24-F142 HydrophobicContact CB-CB 3.81Å; A24-F142 HydrophobicContact CB-CD2 3.98Å; A24-F142 HydrophobicContact CB-CG 4.41Å; N67-F142 HydrophobicContact CB-CD1 3.87Å; N67-F142 HydrophobicContact CB-CE1 4.25Å; N67-F142 VanDerWaalsContact OD1-CD1 3.26Å; N67-F142 WeakPolarHBondContact OD1-CD1 3.44Å; S138-F142 WeakPolarHBondContact O-CB 3.38Å; S138-F142 PolarHBondContact O-N 3.45Å; S139-F142 PolarHBondContact O-N 3.5Å; F142-R146 VanDerWaalsContact CE1-CZ 3.49Å; F142-R146 PolarHBondContact O-NE 3.36Å; F142-R146 PolarHBondContact O-NH2 3.36Å
143K90.9Very high83.9Confident3 Ų359.1 Ų59.11%0.01330%0.297CS..Hα-helixtrans-72.2-55.1179.9-17666.5171.3-150.80112.2I66 N67 V69 N71 S139 I140I66-K143 HydrophobicContact CG2-CB 4.04Å; I66-K143 HydrophobicContact CG2-CD 4.14Å; I66-K143 HydrophobicContact CG2-CG 3.99Å; I66-K143 PolarHBondContact O-NZ 3.26Å; N67-K143 PolarHBondContact OD1-N 3.25Å; V69-K143 PolarHBondContact O-NZ 2.56Å; N71-K143 PolarHBondContact ND2-O 3.34Å; N71-K143 WeakPolarHBondContact OD1-CD 3.45Å; N71-K143 WeakPolarHBondContact OD1-CE 3.43Å; S139-K143 VanDerWaalsContact O-CB 3.24Å; S139-K143 WeakPolarHBondContact O-CB 3.29Å; S139-K143 PolarHBondContact O-N 3.37Å; I140-K143 PolarHBondContact O-N 3.09Å
144F89.7Confident83.2Confident112 Ų11258.6 Ų58.649%0.49129%0.294SS..Hα-helixtrans-102.6-18.5-167.9-60.2-66.7000114.4L74 F96 I140 R146L74-F144 HydrophobicContact CD1-CE1 4.21Å; F96-F144 HydrophobicContact CE1-CE2 4.29Å; F96-F144 AromaticContact CZ-CE2 3.82Å; F96-F144 HydrophobicContact CZ-CE2 3.82Å; F96-F144 AromaticContact CZ-CZ 3.83Å; F96-F144 HydrophobicContact CZ-CZ 3.83Å; I140-F144 HydrophobicContact CG2-CD2 3.96Å; I140-F144 WeakPolarHBondContact O-CB 2.99Å; I140-F144 PolarHBondContact O-N 3.3Å; F144-R146 VanDerWaalsContact C-N 3.31Å
145G85.7Confident82.4Confident22 Ų2260.4 Ų60.423%0.22730%0.303CS..SBendtrans-76.9-18.4-179.800000113.8L141L141-G145 VanDerWaalsContact O-CA 3.26Å; L141-G145 WeakPolarHBondContact O-CA 3.17Å; L141-G145 PolarHBondContact O-N 2.99Å
146R86.4Confident81.5Confident80 Ų8064 Ų6430%0.30232%0.321SS..SBendtrans-89135175.5-63.1-176.5-64.6154.15.7109.3N17 V20 F142 F144N17-R146 HydrophobicContact CB-CG 4.44Å; N17-R146 WeakPolarHBondContact OD1-CA 3.45Å; V20-R146 HydrophobicContact CG1-CG 4.19Å; F142-R146 VanDerWaalsContact CE1-CZ 3.49Å; F142-R146 PolarHBondContact O-NE 3.36Å; F142-R146 PolarHBondContact O-NH2 3.36Å; F144-R146 VanDerWaalsContact C-N 3.31Å
147K78.5Confident80.6Confident111 Ų11167.1 Ų67.148%0.48334%0.335SS..PPolyproline II helixtrans-94.1142.9168.4-63-173.9-169.4167.20110.2D13 R16 N17D13-K147 IonicContact OD1-NZ 3.63Å; R16-K147 VanDerWaalsContact CZ-CD 3.45Å; R16-K147 VanDerWaalsContact CZ-CE 3.48Å; R16-K147 VanDerWaalsContact CZ-CG 3.48Å; R16-K147 VanDerWaalsContact NH1-NZ 3.13Å; N17-K147 PolarHBondContact ND2-O 2.94Å; N17-K147 PolarHBondContact OD1-N 3.25Å
148D69.5Low79.5Confident56 Ų5665.5 Ų65.530%0.29933%0.326SS..PPolyproline II helixtrans-75.6133.5173-64-33.8000109.1N71 S150N71-D148 VanDerWaalsContact CB-OD2 3.28Å; N71-D148 WeakPolarHBondContact CB-OD2 3.34Å; D148-S150 PolarHBondContact O-N 2.93Å
149L66.8Low78.3Confident89 Ų8970.2 Ų70.247%0.46635%0.35SS..G310 helixtrans-70.6-7.1175.6-80.2106.9000112.6I10 D151I10-L149 HydrophobicContact CG1-CD2 4.4Å; I10-L149 HydrophobicContact CG2-CD2 3.71Å; L149-D151 VanDerWaalsContact C-N 3.27Å; L149-D151 PolarHBondContact O-N 3.39Å
150S58Low77Confident72 Ų7275.5 Ų75.550%0.50338%0.375SS..G310 helixtrans-80.30.1-176.659.40000114.5R75 D148 F152R75-S150 PolarHBondContact NH1-OG 3.19Å; D148-S150 PolarHBondContact O-N 2.93Å; S150-F152 PolarHBondContact O-N 2.97Å
151D51.5Low75.6Confident90 Ų9075.6 Ų75.648%0.48138%0.375SS..G310 helixtrans-75.57.4176.8-88.2-42.2000114.6R75 L149R75-D151 IonicContact CZ-OD1 3.16Å; R75-D151 IonicContact CZ-OD2 2.56Å; R75-D151 IonicContact NE-OD1 3.98Å; R75-D151 IonicContact NH1-OD1 3.55Å; R75-D151 IonicContact NH2-OD1 3.82Å; R75-D151 PolarHBondContact NH2-OD1 2.74Å; L149-D151 VanDerWaalsContact C-N 3.27Å; L149-D151 PolarHBondContact O-N 3.39Å
152F42.9Very low73.9Confident171 Ų17178.1 Ų78.175%0.7539%0.386SS*.  trans-146.60179.3-65.4-75.3000114.5S150S150-F152 PolarHBondContact O-N 2.97Å

Retrieved 152 of 152 residues in 34.3 ms (Link to these results)

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